USER MOD reduce.3.24.130724 H: found=0, std=0, add=1614, rem=0, adj=60 USER MOD reduce.3.24.130724 removed 1614 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 45 GLN :FLIP amide:sc= -11.1! C(o=-20!,f=-18!) USER MOD Set 1.2: B 48 HIS :FLIP no HE2:sc= -5.05! C(o=-19!,f=-18!) USER MOD Set 1.3: B 51 LYS NZ :NH3+ -142:sc= -1.74 (180deg=-1.73) USER MOD Set 2.1: A 15 THR OG1 : rot -138:sc= 0.912 USER MOD Set 2.2: B 15 THR OG1 : rot 148:sc= 1.07 USER MOD Set 3.1: A 59 LYS NZ :NH3+ -168:sc= 0 (180deg=0) USER MOD Set 3.2: B 1 MET CE :methyl 140:sc= -4.53! (180deg=-8.4!) USER MOD Set 4.1: A 45 GLN :FLIP amide:sc= -12! C(o=-21!,f=-19!) USER MOD Set 4.2: A 48 HIS :FLIP no HE2:sc= -5.17! C(o=-20!,f=-19!) USER MOD Set 4.3: A 51 LYS NZ :NH3+ -141:sc= -2.18 (180deg=-2.1) USER MOD Set 5.1: A 1 MET CE :methyl -104:sc= -4.58! (180deg=-10.1!) USER MOD Set 5.2: B 59 LYS NZ :NH3+ -171:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -162:sc= -2.67! (180deg=-3.43!) USER MOD Single : A 5 THR OG1 : rot -171:sc= 0.304 USER MOD Single : A 7 THR OG1 : rot 78:sc= -2.13! USER MOD Single : A 18 SER OG : rot 88:sc= 0.848 USER MOD Single : A 19 THR OG1 : rot -74:sc= 0.713 USER MOD Single : A 22 THR OG1 : rot -104:sc= 1.25 USER MOD Single : A 30 LYS NZ :NH3+ -165:sc= -0.0641 (180deg=-0.335) USER MOD Single : A 32 SER OG : rot -80:sc= 0.11 USER MOD Single : A 34 ASN : amide:sc= -3.47! C(o=-3.5!,f=-8.3!) USER MOD Single : A 36 ASN :FLIP amide:sc= -3.18 F(o=-5.7!,f=-3.2) USER MOD Single : A 39 LYS NZ :NH3+ -166:sc= -0.0564 (180deg=-0.335) USER MOD Single : A 43 THR OG1 : rot -92:sc= -1.86! USER MOD Single : A 44 GLN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 55 SER OG : rot -98:sc= 0.00264 USER MOD Single : A 60 MET CE :methyl -125:sc= 0 (180deg=-1.67!) USER MOD Single : A 61 LYS NZ :NH3+ 157:sc= -0.0671 (180deg=-0.517) USER MOD Single : A 62 THR OG1 : rot 69:sc= -1.76! USER MOD Single : A 66 ASN : amide:sc= -1.2 K(o=-1.2,f=-4.4!) USER MOD Single : A 67 GLN :FLIP amide:sc= -5.05! C(o=-7.3!,f=-5!) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 76 TYR OH : rot 180:sc= -0.0383 USER MOD Single : A 85 LYS NZ :NH3+ -165:sc= -0.294 (180deg=-0.431!) USER MOD Single : A 89 LYS NZ :NH3+ 169:sc= -3.76! (180deg=-4.19!) USER MOD Single : A 91 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0624) USER MOD Single : A 97 LYS NZ :NH3+ 178:sc= 0.325 (180deg=0.0465) USER MOD Single : A 98 LYS NZ :NH3+ 176:sc= -1.7 (180deg=-1.7) USER MOD Single : B 1 MET N :NH3+ -173:sc= -2.17 (180deg=-2.77!) USER MOD Single : B 5 THR OG1 : rot -169:sc= 0.0861 USER MOD Single : B 7 THR OG1 : rot 79:sc= -2! USER MOD Single : B 18 SER OG : rot 87:sc= 0.888 USER MOD Single : B 19 THR OG1 : rot -68:sc= 0.566 USER MOD Single : B 22 THR OG1 : rot -117:sc= 1.23 USER MOD Single : B 30 LYS NZ :NH3+ -132:sc= -0.0375 (180deg=-0.328) USER MOD Single : B 32 SER OG : rot -81:sc= 0.345 USER MOD Single : B 34 ASN : amide:sc= -3.87! C(o=-3.9!,f=-9.4!) USER MOD Single : B 36 ASN :FLIP amide:sc= -2.97 F(o=-5.7!,f=-3) USER MOD Single : B 39 LYS NZ :NH3+ -163:sc= -0.0813 (180deg=-0.421) USER MOD Single : B 43 THR OG1 : rot -84:sc= -2.53! USER MOD Single : B 44 GLN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : B 55 SER OG : rot -100:sc= 0.0394 USER MOD Single : B 60 MET CE :methyl -127:sc= 0 (180deg=-1.72!) USER MOD Single : B 61 LYS NZ :NH3+ 158:sc= -0.102 (180deg=-0.477) USER MOD Single : B 62 THR OG1 : rot 69:sc= -1.53! USER MOD Single : B 66 ASN : amide:sc= -1.04 K(o=-1,f=-3.5!) USER MOD Single : B 67 GLN :FLIP amide:sc= -4.1! C(o=-6.4!,f=-4.1!) USER MOD Single : B 69 SER OG : rot 180:sc= 0 USER MOD Single : B 74 SER OG : rot 180:sc= 0 USER MOD Single : B 76 TYR OH : rot 180:sc= 0 USER MOD Single : B 85 LYS NZ :NH3+ -158:sc= -0.0753 (180deg=-0.573!) USER MOD Single : B 89 LYS NZ :NH3+ 166:sc= -2.54 (180deg=-3.18!) USER MOD Single : B 91 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0443) USER MOD Single : B 97 LYS NZ :NH3+ 179:sc= 0.267 (180deg=0.205) USER MOD Single : B 98 LYS NZ :NH3+ -176:sc= -2.69 (180deg=-2.77) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -18.598 4.267 -1.631 1.00 0.64 N ATOM 2 CA MET A 1 -18.043 5.625 -1.865 1.00 0.59 C ATOM 3 C MET A 1 -16.734 5.551 -2.627 1.00 0.60 C ATOM 4 O MET A 1 -16.236 4.465 -2.916 1.00 0.61 O ATOM 5 CB MET A 1 -17.822 6.359 -0.539 1.00 0.57 C ATOM 6 CG MET A 1 -18.950 7.349 -0.188 1.00 0.61 C ATOM 7 SD MET A 1 -20.611 6.754 -0.614 1.00 0.96 S ATOM 8 CE MET A 1 -21.643 8.070 0.025 1.00 1.17 C ATOM 0 H1 MET A 1 -19.608 4.341 -1.393 1.00 0.64 H new ATOM 0 H2 MET A 1 -18.486 3.693 -2.491 1.00 0.64 H new ATOM 0 H3 MET A 1 -18.089 3.815 -0.845 1.00 0.64 H new ATOM 0 HA MET A 1 -18.769 6.179 -2.461 1.00 0.59 H new ATOM 0 HB2 MET A 1 -17.731 5.626 0.262 1.00 0.57 H new ATOM 0 HB3 MET A 1 -16.877 6.899 -0.585 1.00 0.57 H new ATOM 0 HG2 MET A 1 -18.914 7.561 0.880 1.00 0.61 H new ATOM 0 HG3 MET A 1 -18.768 8.290 -0.706 1.00 0.61 H new ATOM 0 HE1 MET A 1 -22.112 7.746 0.954 1.00 1.17 H new ATOM 0 HE2 MET A 1 -21.032 8.952 0.215 1.00 1.17 H new ATOM 0 HE3 MET A 1 -22.415 8.314 -0.705 1.00 1.17 H new ATOM 20 N ALA A 2 -16.190 6.711 -2.971 1.00 0.62 N ATOM 21 CA ALA A 2 -14.938 6.757 -3.708 1.00 0.65 C ATOM 22 C ALA A 2 -13.798 7.330 -2.891 1.00 0.62 C ATOM 23 O ALA A 2 -13.881 8.447 -2.383 1.00 0.72 O ATOM 24 CB ALA A 2 -15.091 7.564 -4.986 1.00 0.73 C ATOM 0 H ALA A 2 -16.592 7.623 -2.754 1.00 0.62 H new ATOM 0 HA ALA A 2 -14.691 5.723 -3.950 1.00 0.65 H new ATOM 0 HB1 ALA A 2 -14.141 7.584 -5.520 1.00 0.73 H new ATOM 0 HB2 ALA A 2 -15.852 7.105 -5.617 1.00 0.73 H new ATOM 0 HB3 ALA A 2 -15.390 8.583 -4.739 1.00 0.73 H new ATOM 30 N ALA A 3 -12.727 6.566 -2.773 1.00 0.73 N ATOM 31 CA ALA A 3 -11.560 7.039 -2.063 1.00 0.76 C ATOM 32 C ALA A 3 -10.920 8.142 -2.890 1.00 0.66 C ATOM 33 O ALA A 3 -10.185 7.873 -3.835 1.00 0.81 O ATOM 34 CB ALA A 3 -10.580 5.900 -1.823 1.00 1.06 C ATOM 0 H ALA A 3 -12.644 5.625 -3.157 1.00 0.73 H new ATOM 0 HA ALA A 3 -11.847 7.429 -1.086 1.00 0.76 H new ATOM 0 HB1 ALA A 3 -9.709 6.277 -1.287 1.00 1.06 H new ATOM 0 HB2 ALA A 3 -11.063 5.123 -1.230 1.00 1.06 H new ATOM 0 HB3 ALA A 3 -10.266 5.483 -2.780 1.00 1.06 H new ATOM 40 N GLU A 4 -11.207 9.388 -2.543 1.00 0.63 N ATOM 41 CA GLU A 4 -10.672 10.509 -3.295 1.00 0.75 C ATOM 42 C GLU A 4 -9.168 10.609 -3.133 1.00 0.74 C ATOM 43 O GLU A 4 -8.414 10.243 -4.035 1.00 0.85 O ATOM 44 CB GLU A 4 -11.315 11.815 -2.861 1.00 0.97 C ATOM 45 CG GLU A 4 -12.758 11.962 -3.290 1.00 1.44 C ATOM 46 CD GLU A 4 -12.986 11.550 -4.732 1.00 2.42 C ATOM 47 OE1 GLU A 4 -12.809 12.403 -5.626 1.00 3.03 O ATOM 48 OE2 GLU A 4 -13.341 10.375 -4.965 1.00 3.20 O ATOM 0 H GLU A 4 -11.801 9.645 -1.754 1.00 0.63 H new ATOM 0 HA GLU A 4 -10.903 10.332 -4.345 1.00 0.75 H new ATOM 0 HB2 GLU A 4 -11.260 11.892 -1.775 1.00 0.97 H new ATOM 0 HB3 GLU A 4 -10.739 12.645 -3.269 1.00 0.97 H new ATOM 0 HG2 GLU A 4 -13.389 11.357 -2.640 1.00 1.44 H new ATOM 0 HG3 GLU A 4 -13.067 12.999 -3.160 1.00 1.44 H new ATOM 55 N THR A 5 -8.726 11.103 -1.985 1.00 0.69 N ATOM 56 CA THR A 5 -7.304 11.241 -1.744 1.00 0.74 C ATOM 57 C THR A 5 -6.802 10.247 -0.683 1.00 0.61 C ATOM 58 O THR A 5 -6.707 9.050 -0.952 1.00 0.78 O ATOM 59 CB THR A 5 -6.928 12.689 -1.358 1.00 0.93 C ATOM 60 OG1 THR A 5 -7.320 13.591 -2.400 1.00 1.43 O ATOM 61 CG2 THR A 5 -5.433 12.815 -1.107 1.00 1.09 C ATOM 0 H THR A 5 -9.325 11.410 -1.218 1.00 0.69 H new ATOM 0 HA THR A 5 -6.804 11.003 -2.683 1.00 0.74 H new ATOM 0 HB THR A 5 -7.455 12.944 -0.439 1.00 0.93 H new ATOM 0 HG1 THR A 5 -6.951 14.481 -2.218 1.00 1.43 H new ATOM 0 HG21 THR A 5 -5.195 13.844 -0.837 1.00 1.09 H new ATOM 0 HG22 THR A 5 -5.143 12.150 -0.293 1.00 1.09 H new ATOM 0 HG23 THR A 5 -4.888 12.542 -2.011 1.00 1.09 H new ATOM 69 N LEU A 6 -6.517 10.723 0.529 1.00 0.54 N ATOM 70 CA LEU A 6 -5.989 9.860 1.568 1.00 0.50 C ATOM 71 C LEU A 6 -7.099 9.140 2.311 1.00 0.49 C ATOM 72 O LEU A 6 -7.697 9.684 3.238 1.00 0.56 O ATOM 73 CB LEU A 6 -5.133 10.674 2.545 1.00 0.61 C ATOM 74 CG LEU A 6 -3.954 11.420 1.916 1.00 0.75 C ATOM 75 CD1 LEU A 6 -4.322 12.870 1.643 1.00 1.15 C ATOM 76 CD2 LEU A 6 -2.734 11.341 2.822 1.00 1.07 C ATOM 0 H LEU A 6 -6.644 11.696 0.808 1.00 0.54 H new ATOM 0 HA LEU A 6 -5.365 9.104 1.091 1.00 0.50 H new ATOM 0 HB2 LEU A 6 -5.774 11.399 3.047 1.00 0.61 H new ATOM 0 HB3 LEU A 6 -4.749 10.002 3.313 1.00 0.61 H new ATOM 0 HG LEU A 6 -3.712 10.944 0.966 1.00 0.75 H new ATOM 0 HD11 LEU A 6 -3.471 13.383 1.196 1.00 1.15 H new ATOM 0 HD12 LEU A 6 -5.169 12.908 0.958 1.00 1.15 H new ATOM 0 HD13 LEU A 6 -4.590 13.360 2.579 1.00 1.15 H new ATOM 0 HD21 LEU A 6 -1.904 11.876 2.361 1.00 1.07 H new ATOM 0 HD22 LEU A 6 -2.967 11.793 3.786 1.00 1.07 H new ATOM 0 HD23 LEU A 6 -2.456 10.297 2.968 1.00 1.07 H new ATOM 88 N THR A 7 -7.375 7.915 1.889 1.00 0.50 N ATOM 89 CA THR A 7 -8.401 7.110 2.527 1.00 0.54 C ATOM 90 C THR A 7 -7.879 6.564 3.839 1.00 0.48 C ATOM 91 O THR A 7 -6.729 6.777 4.193 1.00 0.54 O ATOM 92 CB THR A 7 -8.821 5.913 1.656 1.00 0.62 C ATOM 93 OG1 THR A 7 -8.464 6.148 0.289 1.00 0.85 O ATOM 94 CG2 THR A 7 -10.314 5.652 1.757 1.00 0.83 C ATOM 0 H THR A 7 -6.903 7.459 1.109 1.00 0.50 H new ATOM 0 HA THR A 7 -9.264 7.758 2.681 1.00 0.54 H new ATOM 0 HB THR A 7 -8.294 5.033 2.024 1.00 0.62 H new ATOM 0 HG1 THR A 7 -7.506 5.981 0.168 1.00 0.85 H new ATOM 0 HG21 THR A 7 -10.578 4.800 1.130 1.00 0.83 H new ATOM 0 HG22 THR A 7 -10.576 5.435 2.793 1.00 0.83 H new ATOM 0 HG23 THR A 7 -10.861 6.533 1.421 1.00 0.83 H new ATOM 102 N GLU A 8 -8.714 5.832 4.545 1.00 0.45 N ATOM 103 CA GLU A 8 -8.306 5.236 5.812 1.00 0.44 C ATOM 104 C GLU A 8 -6.957 4.532 5.684 1.00 0.41 C ATOM 105 O GLU A 8 -6.213 4.399 6.656 1.00 0.42 O ATOM 106 CB GLU A 8 -9.328 4.214 6.282 1.00 0.50 C ATOM 107 CG GLU A 8 -10.719 4.772 6.498 1.00 0.52 C ATOM 108 CD GLU A 8 -11.580 4.743 5.249 1.00 1.09 C ATOM 109 OE1 GLU A 8 -11.553 5.732 4.489 1.00 1.94 O ATOM 110 OE2 GLU A 8 -12.286 3.735 5.035 1.00 1.67 O ATOM 0 H GLU A 8 -9.676 5.632 4.270 1.00 0.45 H new ATOM 0 HA GLU A 8 -8.229 6.049 6.534 1.00 0.44 H new ATOM 0 HB2 GLU A 8 -9.383 3.409 5.549 1.00 0.50 H new ATOM 0 HB3 GLU A 8 -8.979 3.772 7.215 1.00 0.50 H new ATOM 0 HG2 GLU A 8 -11.213 4.202 7.284 1.00 0.52 H new ATOM 0 HG3 GLU A 8 -10.639 5.800 6.852 1.00 0.52 H new ATOM 117 N LEU A 9 -6.656 4.089 4.471 1.00 0.41 N ATOM 118 CA LEU A 9 -5.436 3.358 4.191 1.00 0.40 C ATOM 119 C LEU A 9 -4.169 4.197 4.358 1.00 0.38 C ATOM 120 O LEU A 9 -3.112 3.652 4.669 1.00 0.39 O ATOM 121 CB LEU A 9 -5.539 2.828 2.767 1.00 0.45 C ATOM 122 CG LEU A 9 -6.898 2.207 2.412 1.00 0.57 C ATOM 123 CD1 LEU A 9 -6.795 1.363 1.153 1.00 0.93 C ATOM 124 CD2 LEU A 9 -7.456 1.391 3.575 1.00 0.92 C ATOM 0 H LEU A 9 -7.253 4.228 3.656 1.00 0.41 H new ATOM 0 HA LEU A 9 -5.344 2.550 4.916 1.00 0.40 H new ATOM 0 HB2 LEU A 9 -5.335 3.644 2.074 1.00 0.45 H new ATOM 0 HB3 LEU A 9 -4.762 2.079 2.615 1.00 0.45 H new ATOM 0 HG LEU A 9 -7.595 3.022 2.217 1.00 0.57 H new ATOM 0 HD11 LEU A 9 -7.770 0.934 0.922 1.00 0.93 H new ATOM 0 HD12 LEU A 9 -6.467 1.988 0.322 1.00 0.93 H new ATOM 0 HD13 LEU A 9 -6.074 0.561 1.311 1.00 0.93 H new ATOM 0 HD21 LEU A 9 -8.418 0.965 3.292 1.00 0.92 H new ATOM 0 HD22 LEU A 9 -6.762 0.588 3.822 1.00 0.92 H new ATOM 0 HD23 LEU A 9 -7.587 2.037 4.443 1.00 0.92 H new ATOM 136 N GLU A 10 -4.262 5.515 4.175 1.00 0.38 N ATOM 137 CA GLU A 10 -3.087 6.376 4.340 1.00 0.39 C ATOM 138 C GLU A 10 -2.508 6.149 5.729 1.00 0.38 C ATOM 139 O GLU A 10 -1.307 6.293 5.952 1.00 0.40 O ATOM 140 CB GLU A 10 -3.456 7.843 4.158 1.00 0.46 C ATOM 141 CG GLU A 10 -4.685 8.227 4.927 1.00 0.45 C ATOM 142 CD GLU A 10 -4.436 9.363 5.897 1.00 0.56 C ATOM 143 OE1 GLU A 10 -4.376 10.526 5.447 1.00 1.27 O ATOM 144 OE2 GLU A 10 -4.301 9.091 7.109 1.00 1.16 O ATOM 0 H GLU A 10 -5.120 6.003 3.918 1.00 0.38 H new ATOM 0 HA GLU A 10 -2.347 6.123 3.581 1.00 0.39 H new ATOM 0 HB2 GLU A 10 -2.621 8.466 4.479 1.00 0.46 H new ATOM 0 HB3 GLU A 10 -3.616 8.045 3.099 1.00 0.46 H new ATOM 0 HG2 GLU A 10 -5.470 8.517 4.228 1.00 0.45 H new ATOM 0 HG3 GLU A 10 -5.051 7.359 5.476 1.00 0.45 H new ATOM 151 N ALA A 11 -3.386 5.802 6.668 1.00 0.39 N ATOM 152 CA ALA A 11 -2.963 5.506 8.024 1.00 0.39 C ATOM 153 C ALA A 11 -2.039 4.304 7.989 1.00 0.36 C ATOM 154 O ALA A 11 -1.096 4.196 8.774 1.00 0.39 O ATOM 155 CB ALA A 11 -4.164 5.232 8.917 1.00 0.42 C ATOM 0 H ALA A 11 -4.390 5.721 6.510 1.00 0.39 H new ATOM 0 HA ALA A 11 -2.436 6.365 8.438 1.00 0.39 H new ATOM 0 HB1 ALA A 11 -3.823 5.013 9.929 1.00 0.42 H new ATOM 0 HB2 ALA A 11 -4.812 6.108 8.935 1.00 0.42 H new ATOM 0 HB3 ALA A 11 -4.719 4.378 8.528 1.00 0.42 H new ATOM 161 N ALA A 12 -2.331 3.397 7.060 1.00 0.33 N ATOM 162 CA ALA A 12 -1.524 2.205 6.876 1.00 0.33 C ATOM 163 C ALA A 12 -0.170 2.592 6.306 1.00 0.33 C ATOM 164 O ALA A 12 0.852 1.998 6.649 1.00 0.34 O ATOM 165 CB ALA A 12 -2.229 1.216 5.962 1.00 0.34 C ATOM 0 H ALA A 12 -3.125 3.470 6.423 1.00 0.33 H new ATOM 0 HA ALA A 12 -1.378 1.721 7.842 1.00 0.33 H new ATOM 0 HB1 ALA A 12 -1.607 0.329 5.837 1.00 0.34 H new ATOM 0 HB2 ALA A 12 -3.184 0.930 6.403 1.00 0.34 H new ATOM 0 HB3 ALA A 12 -2.402 1.678 4.990 1.00 0.34 H new ATOM 171 N ILE A 13 -0.167 3.600 5.429 1.00 0.36 N ATOM 172 CA ILE A 13 1.075 4.081 4.844 1.00 0.40 C ATOM 173 C ILE A 13 2.061 4.427 5.967 1.00 0.39 C ATOM 174 O ILE A 13 3.274 4.432 5.761 1.00 0.42 O ATOM 175 CB ILE A 13 0.845 5.309 3.914 1.00 0.47 C ATOM 176 CG1 ILE A 13 0.281 4.853 2.564 1.00 0.90 C ATOM 177 CG2 ILE A 13 2.132 6.103 3.688 1.00 0.99 C ATOM 178 CD1 ILE A 13 -0.872 3.882 2.680 1.00 2.05 C ATOM 0 H ILE A 13 -1.004 4.090 5.115 1.00 0.36 H new ATOM 0 HA ILE A 13 1.491 3.289 4.221 1.00 0.40 H new ATOM 0 HB ILE A 13 0.129 5.962 4.412 1.00 0.47 H new ATOM 0 HG12 ILE A 13 -0.049 5.728 2.004 1.00 0.90 H new ATOM 0 HG13 ILE A 13 1.079 4.387 1.986 1.00 0.90 H new ATOM 0 HG21 ILE A 13 1.927 6.950 3.034 1.00 0.99 H new ATOM 0 HG22 ILE A 13 2.508 6.466 4.644 1.00 0.99 H new ATOM 0 HG23 ILE A 13 2.880 5.460 3.224 1.00 0.99 H new ATOM 0 HD11 ILE A 13 -1.217 3.606 1.684 1.00 2.05 H new ATOM 0 HD12 ILE A 13 -0.543 2.989 3.211 1.00 2.05 H new ATOM 0 HD13 ILE A 13 -1.689 4.351 3.229 1.00 2.05 H new ATOM 190 N GLU A 14 1.519 4.714 7.155 1.00 0.39 N ATOM 191 CA GLU A 14 2.332 5.050 8.316 1.00 0.42 C ATOM 192 C GLU A 14 3.156 3.849 8.770 1.00 0.38 C ATOM 193 O GLU A 14 4.307 4.001 9.179 1.00 0.46 O ATOM 194 CB GLU A 14 1.446 5.537 9.464 1.00 0.46 C ATOM 195 CG GLU A 14 0.603 6.750 9.109 1.00 0.79 C ATOM 196 CD GLU A 14 -0.210 7.258 10.284 1.00 1.46 C ATOM 197 OE1 GLU A 14 0.313 8.095 11.051 1.00 2.25 O ATOM 198 OE2 GLU A 14 -1.369 6.819 10.438 1.00 2.02 O ATOM 0 H GLU A 14 0.515 4.719 7.333 1.00 0.39 H new ATOM 0 HA GLU A 14 3.015 5.850 8.029 1.00 0.42 H new ATOM 0 HB2 GLU A 14 0.788 4.725 9.773 1.00 0.46 H new ATOM 0 HB3 GLU A 14 2.076 5.780 10.320 1.00 0.46 H new ATOM 0 HG2 GLU A 14 1.253 7.548 8.750 1.00 0.79 H new ATOM 0 HG3 GLU A 14 -0.069 6.494 8.290 1.00 0.79 H new ATOM 205 N THR A 15 2.568 2.657 8.709 1.00 0.30 N ATOM 206 CA THR A 15 3.287 1.452 9.108 1.00 0.28 C ATOM 207 C THR A 15 4.443 1.214 8.152 1.00 0.29 C ATOM 208 O THR A 15 5.608 1.193 8.545 1.00 0.35 O ATOM 209 CB THR A 15 2.375 0.209 9.102 1.00 0.28 C ATOM 210 OG1 THR A 15 1.287 0.381 10.016 1.00 0.29 O ATOM 211 CG2 THR A 15 3.158 -1.041 9.477 1.00 0.32 C ATOM 0 H THR A 15 1.611 2.501 8.392 1.00 0.30 H new ATOM 0 HA THR A 15 3.649 1.606 10.124 1.00 0.28 H new ATOM 0 HB THR A 15 1.982 0.090 8.092 1.00 0.28 H new ATOM 0 HG1 THR A 15 1.138 -0.453 10.508 1.00 0.29 H new ATOM 0 HG21 THR A 15 2.493 -1.904 9.466 1.00 0.32 H new ATOM 0 HG22 THR A 15 3.964 -1.195 8.759 1.00 0.32 H new ATOM 0 HG23 THR A 15 3.579 -0.921 10.475 1.00 0.32 H new ATOM 219 N VAL A 16 4.094 1.048 6.889 1.00 0.27 N ATOM 220 CA VAL A 16 5.063 0.815 5.835 1.00 0.28 C ATOM 221 C VAL A 16 6.172 1.861 5.848 1.00 0.30 C ATOM 222 O VAL A 16 7.353 1.527 5.758 1.00 0.36 O ATOM 223 CB VAL A 16 4.363 0.852 4.467 1.00 0.30 C ATOM 224 CG1 VAL A 16 3.642 2.168 4.290 1.00 0.33 C ATOM 225 CG2 VAL A 16 5.346 0.637 3.332 1.00 0.33 C ATOM 0 H VAL A 16 3.127 1.071 6.565 1.00 0.27 H new ATOM 0 HA VAL A 16 5.508 -0.164 6.009 1.00 0.28 H new ATOM 0 HB VAL A 16 3.639 0.037 4.439 1.00 0.30 H new ATOM 0 HG11 VAL A 16 3.149 2.185 3.318 1.00 0.33 H new ATOM 0 HG12 VAL A 16 2.897 2.283 5.077 1.00 0.33 H new ATOM 0 HG13 VAL A 16 4.359 2.987 4.347 1.00 0.33 H new ATOM 0 HG21 VAL A 16 4.816 0.670 2.380 1.00 0.33 H new ATOM 0 HG22 VAL A 16 6.103 1.421 3.353 1.00 0.33 H new ATOM 0 HG23 VAL A 16 5.827 -0.334 3.446 1.00 0.33 H new ATOM 235 N VAL A 17 5.786 3.124 5.961 1.00 0.31 N ATOM 236 CA VAL A 17 6.750 4.211 5.956 1.00 0.33 C ATOM 237 C VAL A 17 7.556 4.255 7.247 1.00 0.30 C ATOM 238 O VAL A 17 8.768 4.470 7.228 1.00 0.32 O ATOM 239 CB VAL A 17 6.064 5.569 5.748 1.00 0.43 C ATOM 240 CG1 VAL A 17 5.178 5.915 6.934 1.00 0.45 C ATOM 241 CG2 VAL A 17 7.097 6.660 5.509 1.00 0.50 C ATOM 0 H VAL A 17 4.814 3.419 6.057 1.00 0.31 H new ATOM 0 HA VAL A 17 7.426 4.019 5.123 1.00 0.33 H new ATOM 0 HB VAL A 17 5.431 5.499 4.864 1.00 0.43 H new ATOM 0 HG11 VAL A 17 4.703 6.881 6.764 1.00 0.45 H new ATOM 0 HG12 VAL A 17 4.411 5.149 7.051 1.00 0.45 H new ATOM 0 HG13 VAL A 17 5.784 5.963 7.839 1.00 0.45 H new ATOM 0 HG21 VAL A 17 6.591 7.615 5.364 1.00 0.50 H new ATOM 0 HG22 VAL A 17 7.760 6.728 6.371 1.00 0.50 H new ATOM 0 HG23 VAL A 17 7.681 6.420 4.620 1.00 0.50 H new ATOM 251 N SER A 18 6.875 4.051 8.369 1.00 0.33 N ATOM 252 CA SER A 18 7.528 4.082 9.670 1.00 0.40 C ATOM 253 C SER A 18 8.251 2.771 9.980 1.00 0.44 C ATOM 254 O SER A 18 8.936 2.665 10.994 1.00 0.59 O ATOM 255 CB SER A 18 6.509 4.387 10.770 1.00 0.51 C ATOM 256 OG SER A 18 5.880 5.638 10.549 1.00 1.32 O ATOM 0 H SER A 18 5.873 3.863 8.403 1.00 0.33 H new ATOM 0 HA SER A 18 8.276 4.874 9.637 1.00 0.40 H new ATOM 0 HB2 SER A 18 5.757 3.599 10.802 1.00 0.51 H new ATOM 0 HB3 SER A 18 7.007 4.393 11.740 1.00 0.51 H new ATOM 0 HG SER A 18 5.092 5.512 9.980 1.00 1.32 H new ATOM 262 N THR A 19 8.016 1.747 9.169 1.00 0.37 N ATOM 263 CA THR A 19 8.694 0.466 9.361 1.00 0.44 C ATOM 264 C THR A 19 10.039 0.377 8.632 1.00 0.46 C ATOM 265 O THR A 19 11.098 0.638 9.202 1.00 0.54 O ATOM 266 CB THR A 19 7.812 -0.738 8.957 1.00 0.45 C ATOM 267 OG1 THR A 19 7.356 -0.613 7.602 1.00 0.42 O ATOM 268 CG2 THR A 19 6.620 -0.873 9.895 1.00 0.49 C ATOM 0 H THR A 19 7.370 1.774 8.380 1.00 0.37 H new ATOM 0 HA THR A 19 8.887 0.417 10.433 1.00 0.44 H new ATOM 0 HB THR A 19 8.425 -1.636 9.034 1.00 0.45 H new ATOM 0 HG1 THR A 19 6.651 0.066 7.555 1.00 0.42 H new ATOM 0 HG21 THR A 19 6.013 -1.726 9.592 1.00 0.49 H new ATOM 0 HG22 THR A 19 6.975 -1.024 10.915 1.00 0.49 H new ATOM 0 HG23 THR A 19 6.018 0.034 9.851 1.00 0.49 H new ATOM 276 N PHE A 20 9.959 0.003 7.359 1.00 0.45 N ATOM 277 CA PHE A 20 11.122 -0.211 6.498 1.00 0.54 C ATOM 278 C PHE A 20 11.639 1.080 5.896 1.00 0.52 C ATOM 279 O PHE A 20 12.842 1.339 5.898 1.00 0.64 O ATOM 280 CB PHE A 20 10.739 -1.223 5.401 1.00 0.60 C ATOM 281 CG PHE A 20 11.501 -1.102 4.107 1.00 0.72 C ATOM 282 CD1 PHE A 20 12.872 -0.920 4.103 1.00 1.60 C ATOM 283 CD2 PHE A 20 10.832 -1.160 2.895 1.00 1.26 C ATOM 284 CE1 PHE A 20 13.561 -0.804 2.917 1.00 1.77 C ATOM 285 CE2 PHE A 20 11.517 -1.042 1.706 1.00 1.37 C ATOM 286 CZ PHE A 20 12.883 -0.866 1.718 1.00 1.18 C ATOM 0 H PHE A 20 9.070 -0.163 6.887 1.00 0.45 H new ATOM 0 HA PHE A 20 11.938 -0.608 7.103 1.00 0.54 H new ATOM 0 HB2 PHE A 20 10.884 -2.229 5.794 1.00 0.60 H new ATOM 0 HB3 PHE A 20 9.676 -1.114 5.187 1.00 0.60 H new ATOM 0 HD1 PHE A 20 13.407 -0.868 5.040 1.00 1.60 H new ATOM 0 HD2 PHE A 20 9.761 -1.299 2.883 1.00 1.26 H new ATOM 0 HE1 PHE A 20 14.632 -0.665 2.926 1.00 1.77 H new ATOM 0 HE2 PHE A 20 10.985 -1.087 0.767 1.00 1.37 H new ATOM 0 HZ PHE A 20 13.424 -0.776 0.787 1.00 1.18 H new ATOM 296 N PHE A 21 10.732 1.885 5.383 1.00 0.44 N ATOM 297 CA PHE A 21 11.118 3.119 4.751 1.00 0.47 C ATOM 298 C PHE A 21 11.901 3.991 5.712 1.00 0.49 C ATOM 299 O PHE A 21 12.618 4.898 5.300 1.00 0.62 O ATOM 300 CB PHE A 21 9.881 3.852 4.226 1.00 0.48 C ATOM 301 CG PHE A 21 9.076 3.071 3.200 1.00 0.45 C ATOM 302 CD1 PHE A 21 9.567 1.883 2.675 1.00 1.39 C ATOM 303 CD2 PHE A 21 7.829 3.520 2.758 1.00 1.16 C ATOM 304 CE1 PHE A 21 8.840 1.161 1.747 1.00 1.44 C ATOM 305 CE2 PHE A 21 7.098 2.796 1.830 1.00 1.13 C ATOM 306 CZ PHE A 21 7.605 1.616 1.327 1.00 0.54 C ATOM 0 H PHE A 21 9.728 1.704 5.393 1.00 0.44 H new ATOM 0 HA PHE A 21 11.766 2.891 3.905 1.00 0.47 H new ATOM 0 HB2 PHE A 21 9.234 4.096 5.068 1.00 0.48 H new ATOM 0 HB3 PHE A 21 10.195 4.796 3.781 1.00 0.48 H new ATOM 0 HD1 PHE A 21 10.531 1.518 2.996 1.00 1.39 H new ATOM 0 HD2 PHE A 21 7.429 4.445 3.145 1.00 1.16 H new ATOM 0 HE1 PHE A 21 9.238 0.239 1.349 1.00 1.44 H new ATOM 0 HE2 PHE A 21 6.134 3.155 1.501 1.00 1.13 H new ATOM 0 HZ PHE A 21 7.037 1.048 0.605 1.00 0.54 H new ATOM 316 N THR A 22 11.798 3.702 6.997 1.00 0.47 N ATOM 317 CA THR A 22 12.533 4.478 7.986 1.00 0.54 C ATOM 318 C THR A 22 14.005 4.602 7.613 1.00 0.49 C ATOM 319 O THR A 22 14.684 5.540 8.030 1.00 0.54 O ATOM 320 CB THR A 22 12.449 3.834 9.364 1.00 0.66 C ATOM 321 OG1 THR A 22 13.074 2.562 9.326 1.00 0.66 O ATOM 322 CG2 THR A 22 11.013 3.695 9.796 1.00 0.81 C ATOM 0 H THR A 22 11.224 2.950 7.378 1.00 0.47 H new ATOM 0 HA THR A 22 12.074 5.466 8.008 1.00 0.54 H new ATOM 0 HB THR A 22 12.962 4.469 10.086 1.00 0.66 H new ATOM 0 HG1 THR A 22 12.389 1.861 9.315 1.00 0.66 H new ATOM 0 HG21 THR A 22 10.973 3.233 10.782 1.00 0.81 H new ATOM 0 HG22 THR A 22 10.549 4.680 9.838 1.00 0.81 H new ATOM 0 HG23 THR A 22 10.477 3.071 9.081 1.00 0.81 H new ATOM 330 N PHE A 23 14.496 3.644 6.825 1.00 0.49 N ATOM 331 CA PHE A 23 15.900 3.644 6.442 1.00 0.51 C ATOM 332 C PHE A 23 16.265 4.855 5.584 1.00 0.44 C ATOM 333 O PHE A 23 17.435 5.079 5.288 1.00 0.45 O ATOM 334 CB PHE A 23 16.304 2.299 5.813 1.00 0.68 C ATOM 335 CG PHE A 23 16.426 2.237 4.322 1.00 0.61 C ATOM 336 CD1 PHE A 23 17.482 2.839 3.655 1.00 1.47 C ATOM 337 CD2 PHE A 23 15.508 1.508 3.594 1.00 1.46 C ATOM 338 CE1 PHE A 23 17.607 2.720 2.292 1.00 1.88 C ATOM 339 CE2 PHE A 23 15.635 1.378 2.239 1.00 1.93 C ATOM 340 CZ PHE A 23 16.684 1.986 1.586 1.00 1.82 C ATOM 0 H PHE A 23 13.948 2.871 6.447 1.00 0.49 H new ATOM 0 HA PHE A 23 16.495 3.749 7.349 1.00 0.51 H new ATOM 0 HB2 PHE A 23 17.262 2.003 6.241 1.00 0.68 H new ATOM 0 HB3 PHE A 23 15.573 1.552 6.121 1.00 0.68 H new ATOM 0 HD1 PHE A 23 18.213 3.407 4.212 1.00 1.47 H new ATOM 0 HD2 PHE A 23 14.680 1.035 4.100 1.00 1.46 H new ATOM 0 HE1 PHE A 23 18.426 3.201 1.778 1.00 1.88 H new ATOM 0 HE2 PHE A 23 14.914 0.799 1.681 1.00 1.93 H new ATOM 0 HZ PHE A 23 16.782 1.886 0.515 1.00 1.82 H new ATOM 350 N ALA A 24 15.265 5.654 5.193 1.00 0.50 N ATOM 351 CA ALA A 24 15.524 6.883 4.441 1.00 0.58 C ATOM 352 C ALA A 24 16.594 7.680 5.155 1.00 0.60 C ATOM 353 O ALA A 24 17.467 8.297 4.547 1.00 0.65 O ATOM 354 CB ALA A 24 14.257 7.722 4.346 1.00 0.71 C ATOM 0 H ALA A 24 14.279 5.473 5.383 1.00 0.50 H new ATOM 0 HA ALA A 24 15.853 6.623 3.435 1.00 0.58 H new ATOM 0 HB1 ALA A 24 14.465 8.633 3.784 1.00 0.71 H new ATOM 0 HB2 ALA A 24 13.480 7.151 3.837 1.00 0.71 H new ATOM 0 HB3 ALA A 24 13.918 7.984 5.348 1.00 0.71 H new ATOM 360 N GLY A 25 16.490 7.637 6.470 1.00 0.68 N ATOM 361 CA GLY A 25 17.429 8.308 7.325 1.00 0.81 C ATOM 362 C GLY A 25 18.853 7.901 7.010 1.00 0.71 C ATOM 363 O GLY A 25 19.799 8.620 7.331 1.00 0.80 O ATOM 0 H GLY A 25 15.753 7.136 6.966 1.00 0.68 H new ATOM 0 HA2 GLY A 25 17.323 9.387 7.208 1.00 0.81 H new ATOM 0 HA3 GLY A 25 17.205 8.077 8.366 1.00 0.81 H new ATOM 367 N ARG A 26 19.000 6.729 6.376 1.00 0.60 N ATOM 368 CA ARG A 26 20.307 6.206 5.977 1.00 0.59 C ATOM 369 C ARG A 26 21.190 7.327 5.455 1.00 0.57 C ATOM 370 O ARG A 26 22.285 7.567 5.966 1.00 0.71 O ATOM 371 CB ARG A 26 20.127 5.148 4.885 1.00 0.61 C ATOM 372 CG ARG A 26 21.429 4.696 4.252 1.00 1.17 C ATOM 373 CD ARG A 26 22.233 3.835 5.206 1.00 0.97 C ATOM 374 NE ARG A 26 23.548 3.503 4.664 1.00 1.55 N ATOM 375 CZ ARG A 26 24.523 2.953 5.381 1.00 1.95 C ATOM 376 NH1 ARG A 26 24.330 2.671 6.663 1.00 2.01 N ATOM 377 NH2 ARG A 26 25.692 2.685 4.817 1.00 2.82 N ATOM 0 H ARG A 26 18.218 6.122 6.128 1.00 0.60 H new ATOM 0 HA ARG A 26 20.784 5.757 6.848 1.00 0.59 H new ATOM 0 HB2 ARG A 26 19.621 4.282 5.311 1.00 0.61 H new ATOM 0 HB3 ARG A 26 19.475 5.548 4.108 1.00 0.61 H new ATOM 0 HG2 ARG A 26 21.218 4.135 3.342 1.00 1.17 H new ATOM 0 HG3 ARG A 26 22.016 5.567 3.961 1.00 1.17 H new ATOM 0 HD2 ARG A 26 22.353 4.359 6.154 1.00 0.97 H new ATOM 0 HD3 ARG A 26 21.685 2.917 5.416 1.00 0.97 H new ATOM 0 HE ARG A 26 23.728 3.704 3.680 1.00 1.55 H new ATOM 0 HH11 ARG A 26 23.432 2.876 7.101 1.00 2.01 H new ATOM 0 HH12 ARG A 26 25.080 2.249 7.211 1.00 2.01 H new ATOM 0 HH21 ARG A 26 25.844 2.901 3.832 1.00 2.82 H new ATOM 0 HH22 ARG A 26 26.439 2.263 5.368 1.00 2.82 H new ATOM 391 N GLU A 27 20.697 8.009 4.434 1.00 0.50 N ATOM 392 CA GLU A 27 21.422 9.126 3.858 1.00 0.58 C ATOM 393 C GLU A 27 20.430 10.124 3.301 1.00 0.80 C ATOM 394 O GLU A 27 20.088 10.092 2.118 1.00 1.27 O ATOM 395 CB GLU A 27 22.364 8.643 2.753 1.00 0.98 C ATOM 396 CG GLU A 27 21.737 7.611 1.828 1.00 0.85 C ATOM 397 CD GLU A 27 22.595 7.315 0.614 1.00 1.09 C ATOM 398 OE1 GLU A 27 22.492 8.063 -0.382 1.00 1.78 O ATOM 399 OE2 GLU A 27 23.368 6.336 0.658 1.00 1.63 O ATOM 0 H GLU A 27 19.801 7.809 3.990 1.00 0.50 H new ATOM 0 HA GLU A 27 22.024 9.602 4.632 1.00 0.58 H new ATOM 0 HB2 GLU A 27 22.687 9.500 2.162 1.00 0.98 H new ATOM 0 HB3 GLU A 27 23.257 8.215 3.209 1.00 0.98 H new ATOM 0 HG2 GLU A 27 21.568 6.688 2.382 1.00 0.85 H new ATOM 0 HG3 GLU A 27 20.761 7.969 1.500 1.00 0.85 H new ATOM 406 N GLY A 28 19.964 11.007 4.170 1.00 1.33 N ATOM 407 CA GLY A 28 19.009 12.002 3.757 1.00 1.88 C ATOM 408 C GLY A 28 19.000 13.228 4.634 1.00 1.36 C ATOM 409 O GLY A 28 19.751 13.335 5.603 1.00 1.58 O ATOM 0 H GLY A 28 20.233 11.049 5.153 1.00 1.33 H new ATOM 0 HA2 GLY A 28 19.227 12.300 2.732 1.00 1.88 H new ATOM 0 HA3 GLY A 28 18.013 11.559 3.755 1.00 1.88 H new ATOM 413 N ARG A 29 18.132 14.146 4.267 1.00 1.16 N ATOM 414 CA ARG A 29 17.920 15.379 4.995 1.00 1.06 C ATOM 415 C ARG A 29 16.484 15.795 4.757 1.00 1.13 C ATOM 416 O ARG A 29 15.641 15.779 5.654 1.00 1.73 O ATOM 417 CB ARG A 29 18.879 16.473 4.518 1.00 1.38 C ATOM 418 CG ARG A 29 18.507 17.867 5.003 1.00 1.78 C ATOM 419 CD ARG A 29 19.279 18.943 4.257 1.00 2.37 C ATOM 420 NE ARG A 29 20.719 18.827 4.468 1.00 2.89 N ATOM 421 CZ ARG A 29 21.604 19.702 4.003 1.00 3.59 C ATOM 422 NH1 ARG A 29 21.197 20.745 3.293 1.00 3.91 N ATOM 423 NH2 ARG A 29 22.897 19.534 4.247 1.00 4.31 N ATOM 0 H ARG A 29 17.543 14.055 3.439 1.00 1.16 H new ATOM 0 HA ARG A 29 18.112 15.229 6.057 1.00 1.06 H new ATOM 0 HB2 ARG A 29 19.886 16.236 4.861 1.00 1.38 H new ATOM 0 HB3 ARG A 29 18.904 16.472 3.428 1.00 1.38 H new ATOM 0 HG2 ARG A 29 17.437 18.026 4.868 1.00 1.78 H new ATOM 0 HG3 ARG A 29 18.709 17.947 6.071 1.00 1.78 H new ATOM 0 HD2 ARG A 29 19.062 18.872 3.191 1.00 2.37 H new ATOM 0 HD3 ARG A 29 18.942 19.926 4.587 1.00 2.37 H new ATOM 0 HE ARG A 29 21.065 18.030 5.002 1.00 2.89 H new ATOM 0 HH11 ARG A 29 20.203 20.876 3.103 1.00 3.91 H new ATOM 0 HH12 ARG A 29 21.877 21.416 2.937 1.00 3.91 H new ATOM 0 HH21 ARG A 29 23.213 18.732 4.792 1.00 4.31 H new ATOM 0 HH22 ARG A 29 23.575 20.207 3.889 1.00 4.31 H new ATOM 437 N LYS A 30 16.237 16.167 3.515 1.00 1.04 N ATOM 438 CA LYS A 30 14.923 16.552 3.051 1.00 1.47 C ATOM 439 C LYS A 30 14.743 16.016 1.639 1.00 1.32 C ATOM 440 O LYS A 30 14.069 16.626 0.808 1.00 1.64 O ATOM 441 CB LYS A 30 14.769 18.076 3.073 1.00 2.03 C ATOM 442 CG LYS A 30 14.613 18.650 4.472 1.00 2.65 C ATOM 443 CD LYS A 30 14.526 20.168 4.447 1.00 3.51 C ATOM 444 CE LYS A 30 14.294 20.737 5.838 1.00 4.01 C ATOM 445 NZ LYS A 30 13.019 20.247 6.432 1.00 4.77 N ATOM 0 H LYS A 30 16.955 16.210 2.792 1.00 1.04 H new ATOM 0 HA LYS A 30 14.159 16.136 3.708 1.00 1.47 H new ATOM 0 HB2 LYS A 30 15.640 18.528 2.599 1.00 2.03 H new ATOM 0 HB3 LYS A 30 13.901 18.354 2.476 1.00 2.03 H new ATOM 0 HG2 LYS A 30 13.715 18.241 4.936 1.00 2.65 H new ATOM 0 HG3 LYS A 30 15.458 18.343 5.088 1.00 2.65 H new ATOM 0 HD2 LYS A 30 15.447 20.579 4.034 1.00 3.51 H new ATOM 0 HD3 LYS A 30 13.715 20.476 3.787 1.00 3.51 H new ATOM 0 HE2 LYS A 30 15.126 20.462 6.486 1.00 4.01 H new ATOM 0 HE3 LYS A 30 14.276 21.826 5.787 1.00 4.01 H new ATOM 0 HZ1 LYS A 30 12.768 20.837 7.251 1.00 4.77 H new ATOM 0 HZ2 LYS A 30 12.262 20.301 5.721 1.00 4.77 H new ATOM 0 HZ3 LYS A 30 13.136 19.260 6.739 1.00 4.77 H new ATOM 459 N GLY A 31 15.356 14.858 1.379 1.00 0.95 N ATOM 460 CA GLY A 31 15.288 14.271 0.054 1.00 0.88 C ATOM 461 C GLY A 31 14.725 12.881 0.042 1.00 0.80 C ATOM 462 O GLY A 31 13.518 12.727 0.059 1.00 0.85 O ATOM 0 H GLY A 31 15.894 14.322 2.060 1.00 0.95 H new ATOM 0 HA2 GLY A 31 14.676 14.907 -0.585 1.00 0.88 H new ATOM 0 HA3 GLY A 31 16.289 14.253 -0.378 1.00 0.88 H new ATOM 466 N SER A 32 15.564 11.854 -0.051 1.00 0.74 N ATOM 467 CA SER A 32 15.010 10.513 -0.095 1.00 0.71 C ATOM 468 C SER A 32 15.813 9.404 0.561 1.00 0.70 C ATOM 469 O SER A 32 16.910 9.588 1.088 1.00 0.74 O ATOM 470 CB SER A 32 14.709 10.124 -1.532 1.00 0.68 C ATOM 471 OG SER A 32 15.532 10.832 -2.442 1.00 1.10 O ATOM 0 H SER A 32 16.581 11.919 -0.095 1.00 0.74 H new ATOM 0 HA SER A 32 14.111 10.592 0.516 1.00 0.71 H new ATOM 0 HB2 SER A 32 14.861 9.052 -1.660 1.00 0.68 H new ATOM 0 HB3 SER A 32 13.661 10.326 -1.753 1.00 0.68 H new ATOM 0 HG SER A 32 15.171 11.733 -2.576 1.00 1.10 H new ATOM 477 N LEU A 33 15.180 8.234 0.487 1.00 0.72 N ATOM 478 CA LEU A 33 15.708 6.968 0.943 1.00 0.74 C ATOM 479 C LEU A 33 16.298 6.307 -0.268 1.00 0.56 C ATOM 480 O LEU A 33 15.859 6.591 -1.384 1.00 0.52 O ATOM 481 CB LEU A 33 14.593 6.073 1.480 1.00 0.99 C ATOM 482 CG LEU A 33 14.939 4.593 1.639 1.00 1.19 C ATOM 483 CD1 LEU A 33 14.247 4.021 2.865 1.00 1.93 C ATOM 484 CD2 LEU A 33 14.536 3.835 0.376 1.00 1.69 C ATOM 0 H LEU A 33 14.245 8.149 0.089 1.00 0.72 H new ATOM 0 HA LEU A 33 16.434 7.124 1.741 1.00 0.74 H new ATOM 0 HB2 LEU A 33 14.280 6.459 2.450 1.00 0.99 H new ATOM 0 HB3 LEU A 33 13.735 6.155 0.813 1.00 0.99 H new ATOM 0 HG LEU A 33 16.014 4.484 1.780 1.00 1.19 H new ATOM 0 HD11 LEU A 33 14.501 2.966 2.967 1.00 1.93 H new ATOM 0 HD12 LEU A 33 14.575 4.561 3.753 1.00 1.93 H new ATOM 0 HD13 LEU A 33 13.168 4.125 2.755 1.00 1.93 H new ATOM 0 HD21 LEU A 33 14.783 2.780 0.491 1.00 1.69 H new ATOM 0 HD22 LEU A 33 13.463 3.941 0.215 1.00 1.69 H new ATOM 0 HD23 LEU A 33 15.074 4.243 -0.480 1.00 1.69 H new ATOM 496 N ASN A 34 17.271 5.436 -0.100 1.00 0.57 N ATOM 497 CA ASN A 34 17.869 4.834 -1.258 1.00 0.47 C ATOM 498 C ASN A 34 17.702 3.320 -1.249 1.00 0.41 C ATOM 499 O ASN A 34 16.572 2.837 -1.243 1.00 0.56 O ATOM 500 CB ASN A 34 19.325 5.280 -1.312 1.00 0.56 C ATOM 501 CG ASN A 34 19.955 5.089 -2.680 1.00 1.37 C ATOM 502 OD1 ASN A 34 20.609 4.078 -2.935 1.00 2.12 O ATOM 503 ND2 ASN A 34 19.762 6.059 -3.566 1.00 2.11 N ATOM 0 H ASN A 34 17.651 5.140 0.799 1.00 0.57 H new ATOM 0 HA ASN A 34 17.367 5.164 -2.167 1.00 0.47 H new ATOM 0 HB2 ASN A 34 19.387 6.332 -1.033 1.00 0.56 H new ATOM 0 HB3 ASN A 34 19.898 4.720 -0.573 1.00 0.56 H new ATOM 0 HD21 ASN A 34 20.163 5.983 -4.501 1.00 2.11 H new ATOM 0 HD22 ASN A 34 19.213 6.880 -3.312 1.00 2.11 H new ATOM 510 N ILE A 35 18.799 2.570 -1.349 1.00 0.54 N ATOM 511 CA ILE A 35 18.715 1.136 -1.316 1.00 0.54 C ATOM 512 C ILE A 35 19.878 0.522 -0.568 1.00 0.56 C ATOM 513 O ILE A 35 20.308 -0.583 -0.876 1.00 0.63 O ATOM 514 CB ILE A 35 18.607 0.506 -2.709 1.00 0.60 C ATOM 515 CG1 ILE A 35 19.479 1.252 -3.733 1.00 0.70 C ATOM 516 CG2 ILE A 35 17.149 0.454 -3.136 1.00 0.66 C ATOM 517 CD1 ILE A 35 18.863 2.519 -4.290 1.00 1.05 C ATOM 0 H ILE A 35 19.743 2.941 -1.452 1.00 0.54 H new ATOM 0 HA ILE A 35 17.791 0.915 -0.782 1.00 0.54 H new ATOM 0 HB ILE A 35 18.988 -0.514 -2.664 1.00 0.60 H new ATOM 0 HG12 ILE A 35 20.430 1.503 -3.264 1.00 0.70 H new ATOM 0 HG13 ILE A 35 19.700 0.578 -4.561 1.00 0.70 H new ATOM 0 HG21 ILE A 35 17.076 0.006 -4.127 1.00 0.66 H new ATOM 0 HG22 ILE A 35 16.582 -0.146 -2.424 1.00 0.66 H new ATOM 0 HG23 ILE A 35 16.742 1.465 -3.164 1.00 0.66 H new ATOM 0 HD11 ILE A 35 19.550 2.975 -5.003 1.00 1.05 H new ATOM 0 HD12 ILE A 35 17.926 2.278 -4.793 1.00 1.05 H new ATOM 0 HD13 ILE A 35 18.669 3.217 -3.476 1.00 1.05 H new ATOM 529 N ASN A 36 20.388 1.246 0.411 1.00 0.59 N ATOM 530 CA ASN A 36 21.485 0.747 1.217 1.00 0.63 C ATOM 531 C ASN A 36 20.932 -0.181 2.269 1.00 0.59 C ATOM 532 O ASN A 36 21.276 -1.361 2.313 1.00 0.59 O ATOM 533 CB ASN A 36 22.252 1.892 1.870 1.00 0.70 C ATOM 534 CG ASN A 36 23.448 1.404 2.661 1.00 1.33 C ATOM 535 OD1 ASN A 36 23.212 1.007 3.906 1.00 2.15 O flip ATOM 536 ND2 ASN A 36 24.571 1.374 2.155 1.00 1.89 N flip ATOM 0 H ASN A 36 20.061 2.178 0.666 1.00 0.59 H new ATOM 0 HA ASN A 36 22.183 0.208 0.576 1.00 0.63 H new ATOM 0 HB2 ASN A 36 22.587 2.588 1.101 1.00 0.70 H new ATOM 0 HB3 ASN A 36 21.583 2.445 2.530 1.00 0.70 H new ATOM 0 HD21 ASN A 36 24.706 1.689 1.194 1.00 1.89 H new ATOM 0 HD22 ASN A 36 25.366 1.034 2.697 1.00 1.89 H new ATOM 543 N GLU A 37 20.070 0.350 3.121 1.00 0.57 N ATOM 544 CA GLU A 37 19.459 -0.483 4.133 1.00 0.56 C ATOM 545 C GLU A 37 18.409 -1.350 3.488 1.00 0.50 C ATOM 546 O GLU A 37 18.052 -2.387 4.028 1.00 0.52 O ATOM 547 CB GLU A 37 18.886 0.314 5.279 1.00 0.66 C ATOM 548 CG GLU A 37 19.763 1.485 5.644 1.00 0.75 C ATOM 549 CD GLU A 37 19.512 2.013 7.045 1.00 0.76 C ATOM 550 OE1 GLU A 37 19.941 1.352 8.013 1.00 1.29 O ATOM 551 OE2 GLU A 37 18.891 3.090 7.171 1.00 1.40 O ATOM 0 H GLU A 37 19.785 1.329 3.131 1.00 0.57 H new ATOM 0 HA GLU A 37 20.235 -1.111 4.570 1.00 0.56 H new ATOM 0 HB2 GLU A 37 17.893 0.674 5.010 1.00 0.66 H new ATOM 0 HB3 GLU A 37 18.766 -0.334 6.147 1.00 0.66 H new ATOM 0 HG2 GLU A 37 20.808 1.187 5.558 1.00 0.75 H new ATOM 0 HG3 GLU A 37 19.600 2.289 4.926 1.00 0.75 H new ATOM 558 N PHE A 38 17.888 -0.928 2.322 1.00 0.46 N ATOM 559 CA PHE A 38 16.957 -1.762 1.586 1.00 0.42 C ATOM 560 C PHE A 38 17.599 -3.144 1.480 1.00 0.45 C ATOM 561 O PHE A 38 16.929 -4.168 1.559 1.00 0.45 O ATOM 562 CB PHE A 38 16.730 -1.138 0.199 1.00 0.43 C ATOM 563 CG PHE A 38 15.559 -1.663 -0.589 1.00 0.41 C ATOM 564 CD1 PHE A 38 15.322 -3.020 -0.719 1.00 1.30 C ATOM 565 CD2 PHE A 38 14.695 -0.777 -1.213 1.00 1.21 C ATOM 566 CE1 PHE A 38 14.246 -3.484 -1.451 1.00 1.32 C ATOM 567 CE2 PHE A 38 13.616 -1.234 -1.946 1.00 1.21 C ATOM 568 CZ PHE A 38 13.391 -2.590 -2.065 1.00 0.45 C ATOM 0 H PHE A 38 18.098 -0.030 1.886 1.00 0.46 H new ATOM 0 HA PHE A 38 15.988 -1.843 2.078 1.00 0.42 H new ATOM 0 HB2 PHE A 38 16.602 -0.063 0.325 1.00 0.43 H new ATOM 0 HB3 PHE A 38 17.633 -1.284 -0.393 1.00 0.43 H new ATOM 0 HD1 PHE A 38 15.986 -3.725 -0.242 1.00 1.30 H new ATOM 0 HD2 PHE A 38 14.867 0.286 -1.125 1.00 1.21 H new ATOM 0 HE1 PHE A 38 14.073 -4.546 -1.543 1.00 1.32 H new ATOM 0 HE2 PHE A 38 12.950 -0.531 -2.425 1.00 1.21 H new ATOM 0 HZ PHE A 38 12.549 -2.951 -2.637 1.00 0.45 H new ATOM 578 N LYS A 39 18.942 -3.127 1.409 1.00 0.49 N ATOM 579 CA LYS A 39 19.744 -4.338 1.323 1.00 0.53 C ATOM 580 C LYS A 39 19.548 -5.235 2.522 1.00 0.53 C ATOM 581 O LYS A 39 19.923 -6.403 2.522 1.00 0.56 O ATOM 582 CB LYS A 39 21.217 -3.992 1.163 1.00 0.61 C ATOM 583 CG LYS A 39 21.445 -2.985 0.072 1.00 0.67 C ATOM 584 CD LYS A 39 22.125 -3.607 -1.137 1.00 0.71 C ATOM 585 CE LYS A 39 23.526 -4.096 -0.800 1.00 1.47 C ATOM 586 NZ LYS A 39 24.400 -2.991 -0.320 1.00 1.80 N ATOM 0 H LYS A 39 19.492 -2.268 1.410 1.00 0.49 H new ATOM 0 HA LYS A 39 19.406 -4.886 0.443 1.00 0.53 H new ATOM 0 HB2 LYS A 39 21.601 -3.599 2.104 1.00 0.61 H new ATOM 0 HB3 LYS A 39 21.780 -4.899 0.942 1.00 0.61 H new ATOM 0 HG2 LYS A 39 20.491 -2.554 -0.230 1.00 0.67 H new ATOM 0 HG3 LYS A 39 22.058 -2.168 0.453 1.00 0.67 H new ATOM 0 HD2 LYS A 39 21.526 -4.441 -1.503 1.00 0.71 H new ATOM 0 HD3 LYS A 39 22.178 -2.875 -1.942 1.00 0.71 H new ATOM 0 HE2 LYS A 39 23.466 -4.870 -0.035 1.00 1.47 H new ATOM 0 HE3 LYS A 39 23.972 -4.555 -1.682 1.00 1.47 H new ATOM 0 HZ1 LYS A 39 25.392 -3.304 -0.328 1.00 1.80 H new ATOM 0 HZ2 LYS A 39 24.293 -2.167 -0.945 1.00 1.80 H new ATOM 0 HZ3 LYS A 39 24.127 -2.728 0.649 1.00 1.80 H new ATOM 600 N GLU A 40 19.021 -4.652 3.554 1.00 0.52 N ATOM 601 CA GLU A 40 18.712 -5.375 4.765 1.00 0.56 C ATOM 602 C GLU A 40 17.351 -6.078 4.589 1.00 0.54 C ATOM 603 O GLU A 40 16.907 -6.823 5.462 1.00 0.60 O ATOM 604 CB GLU A 40 18.711 -4.408 5.969 1.00 0.60 C ATOM 605 CG GLU A 40 17.349 -3.815 6.283 1.00 1.09 C ATOM 606 CD GLU A 40 17.434 -2.571 7.145 1.00 1.91 C ATOM 607 OE1 GLU A 40 17.897 -2.681 8.300 1.00 2.43 O ATOM 608 OE2 GLU A 40 17.035 -1.488 6.668 1.00 2.62 O ATOM 0 H GLU A 40 18.790 -3.659 3.588 1.00 0.52 H new ATOM 0 HA GLU A 40 19.469 -6.134 4.961 1.00 0.56 H new ATOM 0 HB2 GLU A 40 19.077 -4.938 6.848 1.00 0.60 H new ATOM 0 HB3 GLU A 40 19.412 -3.597 5.771 1.00 0.60 H new ATOM 0 HG2 GLU A 40 16.840 -3.571 5.350 1.00 1.09 H new ATOM 0 HG3 GLU A 40 16.741 -4.563 6.792 1.00 1.09 H new ATOM 615 N LEU A 41 16.697 -5.819 3.441 1.00 0.49 N ATOM 616 CA LEU A 41 15.398 -6.395 3.138 1.00 0.50 C ATOM 617 C LEU A 41 15.523 -7.848 2.718 1.00 0.55 C ATOM 618 O LEU A 41 15.571 -8.721 3.581 1.00 0.62 O ATOM 619 CB LEU A 41 14.692 -5.580 2.044 1.00 0.46 C ATOM 620 CG LEU A 41 14.374 -4.110 2.364 1.00 0.44 C ATOM 621 CD1 LEU A 41 12.874 -3.872 2.311 1.00 0.55 C ATOM 622 CD2 LEU A 41 14.940 -3.679 3.715 1.00 0.66 C ATOM 0 H LEU A 41 17.061 -5.208 2.710 1.00 0.49 H new ATOM 0 HA LEU A 41 14.796 -6.360 4.046 1.00 0.50 H new ATOM 0 HB2 LEU A 41 15.313 -5.605 1.149 1.00 0.46 H new ATOM 0 HB3 LEU A 41 13.757 -6.083 1.797 1.00 0.46 H new ATOM 0 HG LEU A 41 14.859 -3.498 1.604 1.00 0.44 H new ATOM 0 HD11 LEU A 41 12.663 -2.827 2.540 1.00 0.55 H new ATOM 0 HD12 LEU A 41 12.503 -4.107 1.313 1.00 0.55 H new ATOM 0 HD13 LEU A 41 12.378 -4.511 3.042 1.00 0.55 H new ATOM 0 HD21 LEU A 41 14.690 -2.634 3.897 1.00 0.66 H new ATOM 0 HD22 LEU A 41 14.511 -4.298 4.503 1.00 0.66 H new ATOM 0 HD23 LEU A 41 16.024 -3.798 3.710 1.00 0.66 H new ATOM 634 N ALA A 42 15.606 -8.114 1.394 1.00 0.55 N ATOM 635 CA ALA A 42 15.696 -9.482 0.878 1.00 0.61 C ATOM 636 C ALA A 42 16.538 -10.363 1.778 1.00 0.67 C ATOM 637 O ALA A 42 16.247 -11.530 1.971 1.00 0.74 O ATOM 638 CB ALA A 42 16.263 -9.480 -0.515 1.00 0.65 C ATOM 0 H ALA A 42 15.612 -7.394 0.672 1.00 0.55 H new ATOM 0 HA ALA A 42 14.686 -9.892 0.855 1.00 0.61 H new ATOM 0 HB1 ALA A 42 16.324 -10.504 -0.885 1.00 0.65 H new ATOM 0 HB2 ALA A 42 15.617 -8.895 -1.170 1.00 0.65 H new ATOM 0 HB3 ALA A 42 17.260 -9.040 -0.501 1.00 0.65 H new ATOM 644 N THR A 43 17.540 -9.751 2.372 1.00 0.66 N ATOM 645 CA THR A 43 18.449 -10.415 3.258 1.00 0.73 C ATOM 646 C THR A 43 17.705 -10.984 4.461 1.00 0.78 C ATOM 647 O THR A 43 17.741 -12.187 4.716 1.00 0.86 O ATOM 648 CB THR A 43 19.518 -9.413 3.720 1.00 0.72 C ATOM 649 OG1 THR A 43 18.924 -8.117 3.917 1.00 0.66 O ATOM 650 CG2 THR A 43 20.640 -9.310 2.699 1.00 0.75 C ATOM 0 H THR A 43 17.742 -8.759 2.245 1.00 0.66 H new ATOM 0 HA THR A 43 18.925 -11.243 2.732 1.00 0.73 H new ATOM 0 HB THR A 43 19.936 -9.769 4.662 1.00 0.72 H new ATOM 0 HG1 THR A 43 18.992 -7.597 3.089 1.00 0.66 H new ATOM 0 HG21 THR A 43 21.385 -8.595 3.048 1.00 0.75 H new ATOM 0 HG22 THR A 43 21.107 -10.287 2.571 1.00 0.75 H new ATOM 0 HG23 THR A 43 20.234 -8.974 1.745 1.00 0.75 H new ATOM 658 N GLN A 44 17.032 -10.106 5.196 1.00 0.77 N ATOM 659 CA GLN A 44 16.269 -10.502 6.358 1.00 0.85 C ATOM 660 C GLN A 44 14.909 -11.062 5.968 1.00 0.85 C ATOM 661 O GLN A 44 14.423 -12.015 6.576 1.00 0.94 O ATOM 662 CB GLN A 44 16.089 -9.317 7.306 1.00 0.88 C ATOM 663 CG GLN A 44 17.377 -8.867 7.974 1.00 1.54 C ATOM 664 CD GLN A 44 17.170 -7.674 8.886 1.00 2.05 C ATOM 665 OE1 GLN A 44 16.298 -6.839 8.645 1.00 2.54 O ATOM 666 NE2 GLN A 44 17.970 -7.589 9.941 1.00 2.75 N ATOM 0 H GLN A 44 17.004 -9.106 4.999 1.00 0.77 H new ATOM 0 HA GLN A 44 16.827 -11.288 6.866 1.00 0.85 H new ATOM 0 HB2 GLN A 44 15.667 -8.480 6.750 1.00 0.88 H new ATOM 0 HB3 GLN A 44 15.366 -9.586 8.076 1.00 0.88 H new ATOM 0 HG2 GLN A 44 17.792 -9.694 8.551 1.00 1.54 H new ATOM 0 HG3 GLN A 44 18.110 -8.613 7.209 1.00 1.54 H new ATOM 0 HE21 GLN A 44 18.679 -8.304 10.102 1.00 2.75 H new ATOM 0 HE22 GLN A 44 17.876 -6.809 10.591 1.00 2.75 H new ATOM 675 N GLN A 45 14.298 -10.474 4.946 1.00 0.78 N ATOM 676 CA GLN A 45 12.987 -10.925 4.498 1.00 0.83 C ATOM 677 C GLN A 45 13.124 -12.150 3.604 1.00 0.79 C ATOM 678 O GLN A 45 12.125 -12.774 3.262 1.00 0.80 O ATOM 679 CB GLN A 45 12.251 -9.808 3.754 1.00 0.93 C ATOM 680 CG GLN A 45 13.035 -9.267 2.581 1.00 0.97 C ATOM 681 CD GLN A 45 12.380 -9.534 1.243 1.00 1.36 C ATOM 682 OE1 GLN A 45 11.538 -8.615 0.800 1.00 2.34 O flip ATOM 683 NE2 GLN A 45 12.651 -10.549 0.603 1.00 1.43 N flip ATOM 0 H GLN A 45 14.685 -9.692 4.417 1.00 0.78 H new ATOM 0 HA GLN A 45 12.402 -11.195 5.378 1.00 0.83 H new ATOM 0 HB2 GLN A 45 11.291 -10.185 3.400 1.00 0.93 H new ATOM 0 HB3 GLN A 45 12.038 -8.995 4.448 1.00 0.93 H new ATOM 0 HG2 GLN A 45 13.164 -8.192 2.705 1.00 0.97 H new ATOM 0 HG3 GLN A 45 14.031 -9.710 2.584 1.00 0.97 H new ATOM 0 HE21 GLN A 45 13.306 -11.232 0.983 1.00 1.43 H new ATOM 0 HE22 GLN A 45 12.220 -10.708 -0.308 1.00 1.43 H new ATOM 692 N LEU A 46 14.379 -12.524 3.279 1.00 0.78 N ATOM 693 CA LEU A 46 14.676 -13.666 2.415 1.00 0.78 C ATOM 694 C LEU A 46 13.690 -14.781 2.689 1.00 0.74 C ATOM 695 O LEU A 46 12.947 -15.182 1.796 1.00 0.75 O ATOM 696 CB LEU A 46 16.116 -14.159 2.644 1.00 0.83 C ATOM 697 CG LEU A 46 17.065 -14.086 1.440 1.00 1.04 C ATOM 698 CD1 LEU A 46 18.325 -14.891 1.716 1.00 1.25 C ATOM 699 CD2 LEU A 46 16.376 -14.589 0.184 1.00 1.30 C ATOM 0 H LEU A 46 15.210 -12.036 3.613 1.00 0.78 H new ATOM 0 HA LEU A 46 14.584 -13.354 1.375 1.00 0.78 H new ATOM 0 HB2 LEU A 46 16.551 -13.577 3.457 1.00 0.83 H new ATOM 0 HB3 LEU A 46 16.072 -15.194 2.982 1.00 0.83 H new ATOM 0 HG LEU A 46 17.344 -13.044 1.281 1.00 1.04 H new ATOM 0 HD11 LEU A 46 18.991 -14.832 0.855 1.00 1.25 H new ATOM 0 HD12 LEU A 46 18.830 -14.487 2.593 1.00 1.25 H new ATOM 0 HD13 LEU A 46 18.059 -15.932 1.898 1.00 1.25 H new ATOM 0 HD21 LEU A 46 17.065 -14.529 -0.658 1.00 1.30 H new ATOM 0 HD22 LEU A 46 16.068 -15.625 0.328 1.00 1.30 H new ATOM 0 HD23 LEU A 46 15.499 -13.975 -0.021 1.00 1.30 H new ATOM 711 N PRO A 47 13.680 -15.333 3.910 1.00 0.78 N ATOM 712 CA PRO A 47 12.706 -16.340 4.236 1.00 0.80 C ATOM 713 C PRO A 47 11.450 -15.715 4.832 1.00 0.77 C ATOM 714 O PRO A 47 11.372 -15.485 6.039 1.00 0.81 O ATOM 715 CB PRO A 47 13.442 -17.126 5.307 1.00 0.90 C ATOM 716 CG PRO A 47 14.235 -16.086 6.045 1.00 0.95 C ATOM 717 CD PRO A 47 14.510 -14.967 5.059 1.00 0.90 C ATOM 0 HA PRO A 47 12.373 -16.924 3.378 1.00 0.80 H new ATOM 0 HB2 PRO A 47 12.748 -17.643 5.970 1.00 0.90 H new ATOM 0 HB3 PRO A 47 14.090 -17.885 4.870 1.00 0.90 H new ATOM 0 HG2 PRO A 47 13.680 -15.715 6.906 1.00 0.95 H new ATOM 0 HG3 PRO A 47 15.167 -16.506 6.423 1.00 0.95 H new ATOM 0 HD2 PRO A 47 14.232 -13.994 5.464 1.00 0.90 H new ATOM 0 HD3 PRO A 47 15.566 -14.912 4.794 1.00 0.90 H new ATOM 725 N HIS A 48 10.483 -15.436 3.988 1.00 0.73 N ATOM 726 CA HIS A 48 9.190 -14.932 4.431 1.00 0.74 C ATOM 727 C HIS A 48 8.202 -16.083 4.523 1.00 0.83 C ATOM 728 O HIS A 48 8.600 -17.238 4.671 1.00 0.91 O ATOM 729 CB HIS A 48 8.697 -13.795 3.531 1.00 0.73 C ATOM 730 CG HIS A 48 8.428 -12.548 4.307 1.00 0.98 C ATOM 731 ND1 HIS A 48 9.255 -11.540 4.669 1.00 1.87 N flip ATOM 732 CD2 HIS A 48 7.197 -12.243 4.842 1.00 1.34 C flip ATOM 733 CE1 HIS A 48 8.516 -10.656 5.411 1.00 2.04 C flip ATOM 734 NE2 HIS A 48 7.279 -11.102 5.502 1.00 1.61 N flip ATOM 0 H HIS A 48 10.563 -15.549 2.978 1.00 0.73 H new ATOM 0 HA HIS A 48 9.291 -14.500 5.426 1.00 0.74 H new ATOM 0 HB2 HIS A 48 9.443 -13.591 2.763 1.00 0.73 H new ATOM 0 HB3 HIS A 48 7.787 -14.107 3.018 1.00 0.73 H new ATOM 0 HD1 HIS A 48 10.244 -11.454 4.434 1.00 1.87 H new ATOM 0 HD2 HIS A 48 6.305 -12.842 4.738 1.00 1.34 H new ATOM 0 HE1 HIS A 48 8.887 -9.742 5.850 1.00 2.04 H new ATOM 743 N LEU A 49 6.916 -15.774 4.439 1.00 0.88 N ATOM 744 CA LEU A 49 5.909 -16.818 4.422 1.00 1.00 C ATOM 745 C LEU A 49 5.856 -17.362 2.994 1.00 0.98 C ATOM 746 O LEU A 49 6.521 -18.348 2.680 1.00 1.02 O ATOM 747 CB LEU A 49 4.546 -16.284 4.892 1.00 1.10 C ATOM 748 CG LEU A 49 3.430 -17.329 5.002 1.00 1.62 C ATOM 749 CD1 LEU A 49 3.021 -17.840 3.629 1.00 2.02 C ATOM 750 CD2 LEU A 49 3.872 -18.482 5.890 1.00 2.44 C ATOM 0 H LEU A 49 6.552 -14.823 4.382 1.00 0.88 H new ATOM 0 HA LEU A 49 6.165 -17.619 5.116 1.00 1.00 H new ATOM 0 HB2 LEU A 49 4.676 -15.813 5.866 1.00 1.10 H new ATOM 0 HB3 LEU A 49 4.223 -15.504 4.202 1.00 1.10 H new ATOM 0 HG LEU A 49 2.561 -16.851 5.455 1.00 1.62 H new ATOM 0 HD11 LEU A 49 2.228 -18.580 3.738 1.00 2.02 H new ATOM 0 HD12 LEU A 49 2.661 -17.008 3.024 1.00 2.02 H new ATOM 0 HD13 LEU A 49 3.881 -18.299 3.141 1.00 2.02 H new ATOM 0 HD21 LEU A 49 3.070 -19.216 5.959 1.00 2.44 H new ATOM 0 HD22 LEU A 49 4.758 -18.952 5.463 1.00 2.44 H new ATOM 0 HD23 LEU A 49 4.106 -18.105 6.886 1.00 2.44 H new ATOM 762 N LEU A 50 5.067 -16.726 2.128 1.00 0.98 N ATOM 763 CA LEU A 50 5.003 -17.113 0.722 1.00 1.01 C ATOM 764 C LEU A 50 6.127 -16.411 -0.050 1.00 0.92 C ATOM 765 O LEU A 50 5.891 -15.816 -1.101 1.00 1.01 O ATOM 766 CB LEU A 50 3.645 -16.747 0.123 1.00 1.11 C ATOM 767 CG LEU A 50 3.407 -17.256 -1.301 1.00 1.60 C ATOM 768 CD1 LEU A 50 3.432 -18.776 -1.335 1.00 1.97 C ATOM 769 CD2 LEU A 50 2.086 -16.729 -1.840 1.00 2.25 C ATOM 0 H LEU A 50 4.464 -15.941 2.377 1.00 0.98 H new ATOM 0 HA LEU A 50 5.128 -18.193 0.646 1.00 1.01 H new ATOM 0 HB2 LEU A 50 2.861 -17.142 0.770 1.00 1.11 H new ATOM 0 HB3 LEU A 50 3.544 -15.662 0.126 1.00 1.11 H new ATOM 0 HG LEU A 50 4.210 -16.886 -1.939 1.00 1.60 H new ATOM 0 HD11 LEU A 50 3.261 -19.120 -2.355 1.00 1.97 H new ATOM 0 HD12 LEU A 50 4.403 -19.132 -0.990 1.00 1.97 H new ATOM 0 HD13 LEU A 50 2.650 -19.167 -0.684 1.00 1.97 H new ATOM 0 HD21 LEU A 50 1.932 -17.100 -2.853 1.00 2.25 H new ATOM 0 HD22 LEU A 50 1.271 -17.069 -1.201 1.00 2.25 H new ATOM 0 HD23 LEU A 50 2.107 -15.639 -1.852 1.00 2.25 H new ATOM 781 N LYS A 51 7.346 -16.483 0.478 1.00 0.85 N ATOM 782 CA LYS A 51 8.493 -15.818 -0.123 1.00 0.81 C ATOM 783 C LYS A 51 9.061 -16.605 -1.290 1.00 0.88 C ATOM 784 O LYS A 51 8.668 -17.742 -1.553 1.00 1.03 O ATOM 785 CB LYS A 51 9.574 -15.623 0.941 1.00 0.97 C ATOM 786 CG LYS A 51 10.459 -14.396 0.742 1.00 1.23 C ATOM 787 CD LYS A 51 9.636 -13.156 0.464 1.00 2.11 C ATOM 788 CE LYS A 51 10.379 -11.896 0.855 1.00 2.68 C ATOM 789 NZ LYS A 51 9.482 -10.896 1.500 1.00 3.58 N ATOM 0 H LYS A 51 7.563 -17.001 1.329 1.00 0.85 H new ATOM 0 HA LYS A 51 8.160 -14.855 -0.509 1.00 0.81 H new ATOM 0 HB2 LYS A 51 9.094 -15.552 1.917 1.00 0.97 H new ATOM 0 HB3 LYS A 51 10.207 -16.510 0.961 1.00 0.97 H new ATOM 0 HG2 LYS A 51 11.068 -14.237 1.632 1.00 1.23 H new ATOM 0 HG3 LYS A 51 11.145 -14.572 -0.087 1.00 1.23 H new ATOM 0 HD2 LYS A 51 9.383 -13.116 -0.596 1.00 2.11 H new ATOM 0 HD3 LYS A 51 8.697 -13.211 1.014 1.00 2.11 H new ATOM 0 HE2 LYS A 51 11.189 -12.150 1.538 1.00 2.68 H new ATOM 0 HE3 LYS A 51 10.836 -11.455 -0.031 1.00 2.68 H new ATOM 0 HZ1 LYS A 51 9.737 -9.941 1.177 1.00 3.58 H new ATOM 0 HZ2 LYS A 51 8.495 -11.097 1.241 1.00 3.58 H new ATOM 0 HZ3 LYS A 51 9.587 -10.951 2.533 1.00 3.58 H new ATOM 803 N ASP A 52 9.997 -15.976 -1.982 1.00 0.92 N ATOM 804 CA ASP A 52 10.660 -16.581 -3.124 1.00 1.17 C ATOM 805 C ASP A 52 12.179 -16.589 -2.932 1.00 1.23 C ATOM 806 O ASP A 52 12.926 -16.880 -3.866 1.00 1.47 O ATOM 807 CB ASP A 52 10.292 -15.820 -4.400 1.00 1.29 C ATOM 808 CG ASP A 52 10.997 -16.362 -5.628 1.00 1.87 C ATOM 809 OD1 ASP A 52 10.439 -17.268 -6.282 1.00 2.35 O ATOM 810 OD2 ASP A 52 12.108 -15.882 -5.936 1.00 2.61 O ATOM 0 H ASP A 52 10.318 -15.032 -1.767 1.00 0.92 H new ATOM 0 HA ASP A 52 10.324 -17.614 -3.213 1.00 1.17 H new ATOM 0 HB2 ASP A 52 9.214 -15.873 -4.552 1.00 1.29 H new ATOM 0 HB3 ASP A 52 10.545 -14.767 -4.276 1.00 1.29 H new ATOM 815 N VAL A 53 12.638 -16.280 -1.716 1.00 1.13 N ATOM 816 CA VAL A 53 14.061 -16.257 -1.430 1.00 1.26 C ATOM 817 C VAL A 53 14.801 -15.384 -2.439 1.00 1.24 C ATOM 818 O VAL A 53 15.387 -15.877 -3.402 1.00 1.48 O ATOM 819 CB VAL A 53 14.630 -17.686 -1.441 1.00 1.57 C ATOM 820 CG1 VAL A 53 16.147 -17.689 -1.294 1.00 2.17 C ATOM 821 CG2 VAL A 53 13.984 -18.522 -0.348 1.00 1.91 C ATOM 0 H VAL A 53 12.042 -16.045 -0.922 1.00 1.13 H new ATOM 0 HA VAL A 53 14.205 -15.830 -0.438 1.00 1.26 H new ATOM 0 HB VAL A 53 14.394 -18.129 -2.408 1.00 1.57 H new ATOM 0 HG11 VAL A 53 16.512 -18.716 -1.306 1.00 2.17 H new ATOM 0 HG12 VAL A 53 16.594 -17.136 -2.120 1.00 2.17 H new ATOM 0 HG13 VAL A 53 16.422 -17.218 -0.351 1.00 2.17 H new ATOM 0 HG21 VAL A 53 14.397 -19.530 -0.369 1.00 1.91 H new ATOM 0 HG22 VAL A 53 14.183 -18.068 0.623 1.00 1.91 H new ATOM 0 HG23 VAL A 53 12.908 -18.568 -0.513 1.00 1.91 H new ATOM 831 N GLY A 54 14.739 -14.079 -2.213 1.00 1.06 N ATOM 832 CA GLY A 54 15.396 -13.130 -3.092 1.00 1.11 C ATOM 833 C GLY A 54 16.801 -13.515 -3.476 1.00 1.14 C ATOM 834 O GLY A 54 17.664 -13.715 -2.621 1.00 1.24 O ATOM 0 H GLY A 54 14.241 -13.657 -1.429 1.00 1.06 H new ATOM 0 HA2 GLY A 54 14.801 -13.019 -3.998 1.00 1.11 H new ATOM 0 HA3 GLY A 54 15.419 -12.155 -2.604 1.00 1.11 H new ATOM 838 N SER A 55 17.022 -13.637 -4.777 1.00 1.18 N ATOM 839 CA SER A 55 18.336 -13.957 -5.300 1.00 1.25 C ATOM 840 C SER A 55 19.167 -12.682 -5.341 1.00 1.11 C ATOM 841 O SER A 55 18.676 -11.637 -5.768 1.00 1.10 O ATOM 842 CB SER A 55 18.221 -14.567 -6.697 1.00 1.41 C ATOM 843 OG SER A 55 19.434 -15.189 -7.084 1.00 1.61 O ATOM 0 H SER A 55 16.303 -13.518 -5.490 1.00 1.18 H new ATOM 0 HA SER A 55 18.820 -14.690 -4.655 1.00 1.25 H new ATOM 0 HB2 SER A 55 17.413 -15.298 -6.712 1.00 1.41 H new ATOM 0 HB3 SER A 55 17.962 -13.790 -7.416 1.00 1.41 H new ATOM 0 HG SER A 55 19.945 -14.581 -7.658 1.00 1.61 H new ATOM 849 N LEU A 56 20.416 -12.763 -4.892 1.00 1.15 N ATOM 850 CA LEU A 56 21.302 -11.598 -4.860 1.00 1.10 C ATOM 851 C LEU A 56 21.145 -10.727 -6.104 1.00 0.98 C ATOM 852 O LEU A 56 21.095 -9.502 -6.008 1.00 0.97 O ATOM 853 CB LEU A 56 22.759 -12.039 -4.720 1.00 1.28 C ATOM 854 CG LEU A 56 23.771 -10.896 -4.607 1.00 2.03 C ATOM 855 CD1 LEU A 56 23.524 -10.086 -3.344 1.00 2.61 C ATOM 856 CD2 LEU A 56 25.192 -11.439 -4.625 1.00 2.83 C ATOM 0 H LEU A 56 20.840 -13.623 -4.544 1.00 1.15 H new ATOM 0 HA LEU A 56 21.017 -11.001 -3.994 1.00 1.10 H new ATOM 0 HB2 LEU A 56 22.848 -12.672 -3.837 1.00 1.28 H new ATOM 0 HB3 LEU A 56 23.022 -12.653 -5.581 1.00 1.28 H new ATOM 0 HG LEU A 56 23.644 -10.238 -5.466 1.00 2.03 H new ATOM 0 HD11 LEU A 56 24.253 -9.278 -3.281 1.00 2.61 H new ATOM 0 HD12 LEU A 56 22.519 -9.666 -3.372 1.00 2.61 H new ATOM 0 HD13 LEU A 56 23.623 -10.732 -2.472 1.00 2.61 H new ATOM 0 HD21 LEU A 56 25.898 -10.613 -4.544 1.00 2.83 H new ATOM 0 HD22 LEU A 56 25.332 -12.120 -3.785 1.00 2.83 H new ATOM 0 HD23 LEU A 56 25.365 -11.974 -5.559 1.00 2.83 H new ATOM 868 N ASP A 57 21.056 -11.359 -7.269 1.00 1.00 N ATOM 869 CA ASP A 57 20.902 -10.612 -8.509 1.00 1.01 C ATOM 870 C ASP A 57 19.668 -9.736 -8.466 1.00 0.95 C ATOM 871 O ASP A 57 19.747 -8.521 -8.644 1.00 0.96 O ATOM 872 CB ASP A 57 20.784 -11.531 -9.702 1.00 1.15 C ATOM 873 CG ASP A 57 21.830 -12.627 -9.718 1.00 1.69 C ATOM 874 OD1 ASP A 57 22.915 -12.406 -10.294 1.00 2.20 O ATOM 875 OD2 ASP A 57 21.561 -13.709 -9.155 1.00 2.48 O ATOM 0 H ASP A 57 21.087 -12.372 -7.380 1.00 1.00 H new ATOM 0 HA ASP A 57 21.795 -9.996 -8.612 1.00 1.01 H new ATOM 0 HB2 ASP A 57 19.793 -11.984 -9.707 1.00 1.15 H new ATOM 0 HB3 ASP A 57 20.870 -10.943 -10.615 1.00 1.15 H new ATOM 880 N GLU A 58 18.515 -10.356 -8.235 1.00 0.94 N ATOM 881 CA GLU A 58 17.266 -9.615 -8.154 1.00 0.95 C ATOM 882 C GLU A 58 17.433 -8.518 -7.128 1.00 0.87 C ATOM 883 O GLU A 58 17.034 -7.374 -7.338 1.00 0.90 O ATOM 884 CB GLU A 58 16.105 -10.536 -7.758 1.00 0.98 C ATOM 885 CG GLU A 58 14.787 -10.160 -8.410 1.00 1.43 C ATOM 886 CD GLU A 58 13.661 -11.101 -8.029 1.00 1.80 C ATOM 887 OE1 GLU A 58 13.753 -12.301 -8.364 1.00 2.42 O ATOM 888 OE2 GLU A 58 12.691 -10.640 -7.393 1.00 2.29 O ATOM 0 H GLU A 58 18.422 -11.363 -8.102 1.00 0.94 H new ATOM 0 HA GLU A 58 17.031 -9.190 -9.130 1.00 0.95 H new ATOM 0 HB2 GLU A 58 16.356 -11.562 -8.029 1.00 0.98 H new ATOM 0 HB3 GLU A 58 15.986 -10.512 -6.675 1.00 0.98 H new ATOM 0 HG2 GLU A 58 14.520 -9.143 -8.122 1.00 1.43 H new ATOM 0 HG3 GLU A 58 14.908 -10.163 -9.493 1.00 1.43 H new ATOM 895 N LYS A 59 18.076 -8.892 -6.030 1.00 0.81 N ATOM 896 CA LYS A 59 18.346 -7.973 -4.948 1.00 0.76 C ATOM 897 C LYS A 59 19.322 -6.889 -5.394 1.00 0.80 C ATOM 898 O LYS A 59 19.340 -5.797 -4.836 1.00 0.79 O ATOM 899 CB LYS A 59 18.885 -8.745 -3.738 1.00 0.75 C ATOM 900 CG LYS A 59 17.954 -9.866 -3.283 1.00 0.75 C ATOM 901 CD LYS A 59 18.702 -10.960 -2.534 1.00 1.14 C ATOM 902 CE LYS A 59 19.572 -10.407 -1.418 1.00 1.95 C ATOM 903 NZ LYS A 59 20.585 -11.401 -0.964 1.00 2.67 N ATOM 0 H LYS A 59 18.421 -9.838 -5.871 1.00 0.81 H new ATOM 0 HA LYS A 59 17.419 -7.479 -4.658 1.00 0.76 H new ATOM 0 HB2 LYS A 59 19.858 -9.167 -3.988 1.00 0.75 H new ATOM 0 HB3 LYS A 59 19.041 -8.052 -2.912 1.00 0.75 H new ATOM 0 HG2 LYS A 59 17.177 -9.453 -2.640 1.00 0.75 H new ATOM 0 HG3 LYS A 59 17.455 -10.297 -4.151 1.00 0.75 H new ATOM 0 HD2 LYS A 59 17.985 -11.666 -2.116 1.00 1.14 H new ATOM 0 HD3 LYS A 59 19.325 -11.516 -3.235 1.00 1.14 H new ATOM 0 HE2 LYS A 59 20.077 -9.505 -1.763 1.00 1.95 H new ATOM 0 HE3 LYS A 59 18.943 -10.118 -0.576 1.00 1.95 H new ATOM 0 HZ1 LYS A 59 21.020 -11.073 -0.078 1.00 2.67 H new ATOM 0 HZ2 LYS A 59 20.123 -12.319 -0.804 1.00 2.67 H new ATOM 0 HZ3 LYS A 59 21.320 -11.506 -1.693 1.00 2.67 H new ATOM 917 N MET A 60 20.120 -7.198 -6.413 1.00 0.86 N ATOM 918 CA MET A 60 21.091 -6.259 -6.948 1.00 0.92 C ATOM 919 C MET A 60 20.440 -5.230 -7.872 1.00 0.96 C ATOM 920 O MET A 60 20.838 -4.065 -7.897 1.00 1.01 O ATOM 921 CB MET A 60 22.200 -7.006 -7.702 1.00 1.00 C ATOM 922 CG MET A 60 23.280 -7.561 -6.788 1.00 1.00 C ATOM 923 SD MET A 60 24.232 -6.265 -5.972 1.00 1.73 S ATOM 924 CE MET A 60 25.434 -7.238 -5.069 1.00 2.31 C ATOM 0 H MET A 60 20.109 -8.102 -6.886 1.00 0.86 H new ATOM 0 HA MET A 60 21.523 -5.724 -6.102 1.00 0.92 H new ATOM 0 HB2 MET A 60 21.757 -7.825 -8.268 1.00 1.00 H new ATOM 0 HB3 MET A 60 22.657 -6.330 -8.425 1.00 1.00 H new ATOM 0 HG2 MET A 60 22.820 -8.198 -6.033 1.00 1.00 H new ATOM 0 HG3 MET A 60 23.954 -8.191 -7.369 1.00 1.00 H new ATOM 0 HE1 MET A 60 25.396 -6.974 -4.012 1.00 2.31 H new ATOM 0 HE2 MET A 60 25.207 -8.298 -5.186 1.00 2.31 H new ATOM 0 HE3 MET A 60 26.432 -7.036 -5.458 1.00 2.31 H new ATOM 934 N LYS A 61 19.438 -5.666 -8.625 1.00 0.97 N ATOM 935 CA LYS A 61 18.746 -4.785 -9.566 1.00 1.02 C ATOM 936 C LYS A 61 17.720 -3.928 -8.853 1.00 0.96 C ATOM 937 O LYS A 61 17.719 -2.704 -8.973 1.00 0.92 O ATOM 938 CB LYS A 61 18.031 -5.580 -10.669 1.00 1.08 C ATOM 939 CG LYS A 61 18.490 -7.021 -10.826 1.00 1.55 C ATOM 940 CD LYS A 61 19.986 -7.113 -11.081 1.00 2.07 C ATOM 941 CE LYS A 61 20.376 -8.488 -11.593 1.00 2.59 C ATOM 942 NZ LYS A 61 19.776 -8.772 -12.926 1.00 3.16 N ATOM 0 H LYS A 61 19.084 -6.623 -8.605 1.00 0.97 H new ATOM 0 HA LYS A 61 19.510 -4.153 -10.018 1.00 1.02 H new ATOM 0 HB2 LYS A 61 16.961 -5.576 -10.462 1.00 1.08 H new ATOM 0 HB3 LYS A 61 18.174 -5.064 -11.618 1.00 1.08 H new ATOM 0 HG2 LYS A 61 18.240 -7.582 -9.926 1.00 1.55 H new ATOM 0 HG3 LYS A 61 17.951 -7.486 -11.652 1.00 1.55 H new ATOM 0 HD2 LYS A 61 20.280 -6.355 -11.807 1.00 2.07 H new ATOM 0 HD3 LYS A 61 20.528 -6.899 -10.160 1.00 2.07 H new ATOM 0 HE2 LYS A 61 21.462 -8.556 -11.661 1.00 2.59 H new ATOM 0 HE3 LYS A 61 20.053 -9.247 -10.880 1.00 2.59 H new ATOM 0 HZ1 LYS A 61 20.339 -9.499 -13.412 1.00 3.16 H new ATOM 0 HZ2 LYS A 61 18.802 -9.114 -12.802 1.00 3.16 H new ATOM 0 HZ3 LYS A 61 19.768 -7.902 -13.495 1.00 3.16 H new ATOM 956 N THR A 62 16.854 -4.587 -8.103 1.00 0.98 N ATOM 957 CA THR A 62 15.794 -3.905 -7.383 1.00 0.96 C ATOM 958 C THR A 62 16.325 -2.702 -6.623 1.00 0.86 C ATOM 959 O THR A 62 15.587 -1.758 -6.342 1.00 0.84 O ATOM 960 CB THR A 62 15.072 -4.857 -6.420 1.00 1.02 C ATOM 961 OG1 THR A 62 14.626 -6.018 -7.136 1.00 1.12 O ATOM 962 CG2 THR A 62 13.880 -4.170 -5.770 1.00 1.05 C ATOM 0 H THR A 62 16.865 -5.599 -7.977 1.00 0.98 H new ATOM 0 HA THR A 62 15.078 -3.554 -8.126 1.00 0.96 H new ATOM 0 HB THR A 62 15.771 -5.151 -5.637 1.00 1.02 H new ATOM 0 HG1 THR A 62 15.401 -6.554 -7.405 1.00 1.12 H new ATOM 0 HG21 THR A 62 13.385 -4.865 -5.092 1.00 1.05 H new ATOM 0 HG22 THR A 62 14.222 -3.299 -5.211 1.00 1.05 H new ATOM 0 HG23 THR A 62 13.178 -3.853 -6.541 1.00 1.05 H new ATOM 970 N LEU A 63 17.614 -2.737 -6.292 1.00 0.86 N ATOM 971 CA LEU A 63 18.244 -1.628 -5.597 1.00 0.84 C ATOM 972 C LEU A 63 17.952 -0.329 -6.336 1.00 0.80 C ATOM 973 O LEU A 63 16.968 0.347 -6.052 1.00 0.89 O ATOM 974 CB LEU A 63 19.757 -1.844 -5.495 1.00 0.95 C ATOM 975 CG LEU A 63 20.288 -2.238 -4.110 1.00 0.92 C ATOM 976 CD1 LEU A 63 20.759 -3.682 -4.108 1.00 1.05 C ATOM 977 CD2 LEU A 63 21.427 -1.318 -3.695 1.00 1.40 C ATOM 0 H LEU A 63 18.236 -3.519 -6.495 1.00 0.86 H new ATOM 0 HA LEU A 63 17.836 -1.570 -4.588 1.00 0.84 H new ATOM 0 HB2 LEU A 63 20.042 -2.620 -6.206 1.00 0.95 H new ATOM 0 HB3 LEU A 63 20.257 -0.927 -5.807 1.00 0.95 H new ATOM 0 HG LEU A 63 19.474 -2.136 -3.392 1.00 0.92 H new ATOM 0 HD11 LEU A 63 21.132 -3.942 -3.117 1.00 1.05 H new ATOM 0 HD12 LEU A 63 19.926 -4.337 -4.366 1.00 1.05 H new ATOM 0 HD13 LEU A 63 21.557 -3.805 -4.840 1.00 1.05 H new ATOM 0 HD21 LEU A 63 21.792 -1.612 -2.711 1.00 1.40 H new ATOM 0 HD22 LEU A 63 22.238 -1.393 -4.420 1.00 1.40 H new ATOM 0 HD23 LEU A 63 21.068 -0.289 -3.657 1.00 1.40 H new ATOM 989 N ASP A 64 18.770 -0.003 -7.330 1.00 0.79 N ATOM 990 CA ASP A 64 18.559 1.232 -8.074 1.00 0.82 C ATOM 991 C ASP A 64 17.125 1.335 -8.568 1.00 0.82 C ATOM 992 O ASP A 64 16.621 2.433 -8.783 1.00 0.89 O ATOM 993 CB ASP A 64 19.507 1.363 -9.255 1.00 0.91 C ATOM 994 CG ASP A 64 20.962 1.180 -8.868 1.00 1.35 C ATOM 995 OD1 ASP A 64 21.614 2.187 -8.526 1.00 1.99 O ATOM 996 OD2 ASP A 64 21.448 0.030 -8.912 1.00 2.05 O ATOM 0 H ASP A 64 19.567 -0.562 -7.634 1.00 0.79 H new ATOM 0 HA ASP A 64 18.764 2.047 -7.380 1.00 0.82 H new ATOM 0 HB2 ASP A 64 19.242 0.624 -10.011 1.00 0.91 H new ATOM 0 HB3 ASP A 64 19.378 2.345 -9.710 1.00 0.91 H new ATOM 1001 N VAL A 65 16.465 0.192 -8.767 1.00 0.82 N ATOM 1002 CA VAL A 65 15.077 0.205 -9.212 1.00 0.87 C ATOM 1003 C VAL A 65 14.256 1.071 -8.261 1.00 0.77 C ATOM 1004 O VAL A 65 14.001 2.240 -8.542 1.00 0.82 O ATOM 1005 CB VAL A 65 14.479 -1.225 -9.301 1.00 0.95 C ATOM 1006 CG1 VAL A 65 12.978 -1.173 -9.560 1.00 1.06 C ATOM 1007 CG2 VAL A 65 15.175 -2.015 -10.398 1.00 1.07 C ATOM 0 H VAL A 65 16.863 -0.737 -8.629 1.00 0.82 H new ATOM 0 HA VAL A 65 15.044 0.623 -10.218 1.00 0.87 H new ATOM 0 HB VAL A 65 14.642 -1.724 -8.346 1.00 0.95 H new ATOM 0 HG11 VAL A 65 12.583 -2.187 -9.618 1.00 1.06 H new ATOM 0 HG12 VAL A 65 12.487 -0.639 -8.747 1.00 1.06 H new ATOM 0 HG13 VAL A 65 12.789 -0.656 -10.501 1.00 1.06 H new ATOM 0 HG21 VAL A 65 14.748 -3.016 -10.452 1.00 1.07 H new ATOM 0 HG22 VAL A 65 15.037 -1.510 -11.354 1.00 1.07 H new ATOM 0 HG23 VAL A 65 16.240 -2.086 -10.176 1.00 1.07 H new ATOM 1017 N ASN A 66 13.829 0.491 -7.150 1.00 0.72 N ATOM 1018 CA ASN A 66 13.084 1.236 -6.146 1.00 0.68 C ATOM 1019 C ASN A 66 14.044 1.978 -5.228 1.00 0.57 C ATOM 1020 O ASN A 66 13.982 1.834 -4.007 1.00 0.57 O ATOM 1021 CB ASN A 66 12.229 0.309 -5.307 1.00 0.82 C ATOM 1022 CG ASN A 66 11.589 -0.795 -6.125 1.00 0.81 C ATOM 1023 OD1 ASN A 66 12.167 -1.866 -6.305 1.00 1.51 O ATOM 1024 ND2 ASN A 66 10.386 -0.537 -6.627 1.00 1.10 N ATOM 0 H ASN A 66 13.985 -0.491 -6.921 1.00 0.72 H new ATOM 0 HA ASN A 66 12.440 1.945 -6.667 1.00 0.68 H new ATOM 0 HB2 ASN A 66 12.843 -0.134 -4.523 1.00 0.82 H new ATOM 0 HB3 ASN A 66 11.449 0.888 -4.813 1.00 0.82 H new ATOM 0 HD21 ASN A 66 9.905 -1.241 -7.187 1.00 1.10 H new ATOM 0 HD22 ASN A 66 9.943 0.365 -6.453 1.00 1.10 H new ATOM 1031 N GLN A 67 14.920 2.778 -5.804 1.00 0.62 N ATOM 1032 CA GLN A 67 15.898 3.490 -5.019 1.00 0.68 C ATOM 1033 C GLN A 67 15.214 4.418 -4.038 1.00 0.61 C ATOM 1034 O GLN A 67 15.465 4.379 -2.834 1.00 0.66 O ATOM 1035 CB GLN A 67 16.870 4.239 -5.942 1.00 0.88 C ATOM 1036 CG GLN A 67 16.327 5.479 -6.619 1.00 0.74 C ATOM 1037 CD GLN A 67 15.173 5.228 -7.565 1.00 1.15 C ATOM 1038 OE1 GLN A 67 14.145 6.056 -7.433 1.00 1.97 O flip ATOM 1039 NE2 GLN A 67 15.195 4.312 -8.379 1.00 1.36 N flip ATOM 0 H GLN A 67 14.971 2.948 -6.808 1.00 0.62 H new ATOM 0 HA GLN A 67 16.481 2.778 -4.435 1.00 0.68 H new ATOM 0 HB2 GLN A 67 17.746 4.523 -5.359 1.00 0.88 H new ATOM 0 HB3 GLN A 67 17.211 3.549 -6.714 1.00 0.88 H new ATOM 0 HG2 GLN A 67 16.004 6.183 -5.852 1.00 0.74 H new ATOM 0 HG3 GLN A 67 17.135 5.958 -7.172 1.00 0.74 H new ATOM 0 HE21 GLN A 67 16.011 3.703 -8.440 1.00 1.36 H new ATOM 0 HE22 GLN A 67 14.397 4.158 -8.996 1.00 1.36 H new ATOM 1048 N ASP A 68 14.345 5.237 -4.571 1.00 0.59 N ATOM 1049 CA ASP A 68 13.599 6.193 -3.789 1.00 0.62 C ATOM 1050 C ASP A 68 12.297 5.594 -3.289 1.00 0.59 C ATOM 1051 O ASP A 68 11.363 6.334 -3.001 1.00 0.66 O ATOM 1052 CB ASP A 68 13.335 7.466 -4.588 1.00 0.74 C ATOM 1053 CG ASP A 68 14.615 8.220 -4.898 1.00 1.00 C ATOM 1054 OD1 ASP A 68 15.161 8.869 -3.982 1.00 1.51 O ATOM 1055 OD2 ASP A 68 15.072 8.158 -6.060 1.00 1.62 O ATOM 0 H ASP A 68 14.132 5.261 -5.568 1.00 0.59 H new ATOM 0 HA ASP A 68 14.204 6.456 -2.922 1.00 0.62 H new ATOM 0 HB2 ASP A 68 12.830 7.211 -5.520 1.00 0.74 H new ATOM 0 HB3 ASP A 68 12.660 8.113 -4.027 1.00 0.74 H new ATOM 1060 N SER A 69 12.231 4.253 -3.168 1.00 0.56 N ATOM 1061 CA SER A 69 11.021 3.568 -2.688 1.00 0.59 C ATOM 1062 C SER A 69 10.451 4.357 -1.531 1.00 0.63 C ATOM 1063 O SER A 69 9.243 4.438 -1.331 1.00 0.75 O ATOM 1064 CB SER A 69 11.344 2.136 -2.253 1.00 0.68 C ATOM 1065 OG SER A 69 12.226 2.129 -1.142 1.00 1.75 O ATOM 0 H SER A 69 13.002 3.626 -3.397 1.00 0.56 H new ATOM 0 HA SER A 69 10.289 3.510 -3.494 1.00 0.59 H new ATOM 0 HB2 SER A 69 10.423 1.614 -1.994 1.00 0.68 H new ATOM 0 HB3 SER A 69 11.795 1.593 -3.083 1.00 0.68 H new ATOM 0 HG SER A 69 12.417 1.204 -0.881 1.00 1.75 H new ATOM 1071 N GLU A 70 11.375 4.951 -0.796 1.00 0.64 N ATOM 1072 CA GLU A 70 11.058 5.828 0.302 1.00 0.76 C ATOM 1073 C GLU A 70 11.733 7.146 0.056 1.00 0.78 C ATOM 1074 O GLU A 70 12.738 7.234 -0.648 1.00 0.81 O ATOM 1075 CB GLU A 70 11.546 5.304 1.635 1.00 0.85 C ATOM 1076 CG GLU A 70 11.658 6.400 2.707 1.00 1.33 C ATOM 1077 CD GLU A 70 10.320 6.992 3.117 1.00 2.19 C ATOM 1078 OE1 GLU A 70 9.278 6.442 2.705 1.00 2.72 O ATOM 1079 OE2 GLU A 70 10.317 8.006 3.846 1.00 2.88 O ATOM 0 H GLU A 70 12.376 4.832 -0.952 1.00 0.64 H new ATOM 0 HA GLU A 70 9.972 5.912 0.351 1.00 0.76 H new ATOM 0 HB2 GLU A 70 10.865 4.529 1.986 1.00 0.85 H new ATOM 0 HB3 GLU A 70 12.520 4.835 1.500 1.00 0.85 H new ATOM 0 HG2 GLU A 70 12.147 5.985 3.588 1.00 1.33 H new ATOM 0 HG3 GLU A 70 12.299 7.198 2.333 1.00 1.33 H new ATOM 1086 N LEU A 71 11.136 8.178 0.574 1.00 0.79 N ATOM 1087 CA LEU A 71 11.699 9.467 0.430 1.00 0.83 C ATOM 1088 C LEU A 71 11.324 10.409 1.552 1.00 0.81 C ATOM 1089 O LEU A 71 10.435 10.142 2.360 1.00 0.86 O ATOM 1090 CB LEU A 71 11.328 10.036 -0.903 1.00 0.99 C ATOM 1091 CG LEU A 71 9.873 9.849 -1.258 1.00 0.79 C ATOM 1092 CD1 LEU A 71 9.573 8.363 -1.484 1.00 1.89 C ATOM 1093 CD2 LEU A 71 9.022 10.464 -0.172 1.00 1.26 C ATOM 0 H LEU A 71 10.261 8.142 1.097 1.00 0.79 H new ATOM 0 HA LEU A 71 12.782 9.356 0.487 1.00 0.83 H new ATOM 0 HB2 LEU A 71 11.561 11.101 -0.911 1.00 0.99 H new ATOM 0 HB3 LEU A 71 11.944 9.569 -1.672 1.00 0.99 H new ATOM 0 HG LEU A 71 9.636 10.357 -2.193 1.00 0.79 H new ATOM 0 HD11 LEU A 71 8.521 8.239 -1.740 1.00 1.89 H new ATOM 0 HD12 LEU A 71 10.191 7.987 -2.299 1.00 1.89 H new ATOM 0 HD13 LEU A 71 9.794 7.805 -0.574 1.00 1.89 H new ATOM 0 HD21 LEU A 71 7.968 10.335 -0.418 1.00 1.26 H new ATOM 0 HD22 LEU A 71 9.235 9.975 0.778 1.00 1.26 H new ATOM 0 HD23 LEU A 71 9.248 11.527 -0.091 1.00 1.26 H new ATOM 1105 N ARG A 72 12.029 11.506 1.571 1.00 0.77 N ATOM 1106 CA ARG A 72 11.809 12.576 2.501 1.00 0.79 C ATOM 1107 C ARG A 72 11.070 13.691 1.763 1.00 0.68 C ATOM 1108 O ARG A 72 10.302 14.445 2.356 1.00 0.75 O ATOM 1109 CB ARG A 72 13.151 13.097 3.005 1.00 0.91 C ATOM 1110 CG ARG A 72 14.200 12.018 3.182 1.00 1.00 C ATOM 1111 CD ARG A 72 13.666 10.838 3.972 1.00 1.06 C ATOM 1112 NE ARG A 72 13.088 11.246 5.249 1.00 1.30 N ATOM 1113 CZ ARG A 72 12.211 10.513 5.928 1.00 1.18 C ATOM 1114 NH1 ARG A 72 11.818 9.338 5.456 1.00 1.56 N ATOM 1115 NH2 ARG A 72 11.728 10.953 7.081 1.00 1.42 N ATOM 0 H ARG A 72 12.794 11.684 0.921 1.00 0.77 H new ATOM 0 HA ARG A 72 11.224 12.230 3.353 1.00 0.79 H new ATOM 0 HB2 ARG A 72 13.526 13.844 2.305 1.00 0.91 H new ATOM 0 HB3 ARG A 72 12.999 13.602 3.959 1.00 0.91 H new ATOM 0 HG2 ARG A 72 14.539 11.677 2.204 1.00 1.00 H new ATOM 0 HG3 ARG A 72 15.068 12.435 3.693 1.00 1.00 H new ATOM 0 HD2 ARG A 72 12.910 10.320 3.382 1.00 1.06 H new ATOM 0 HD3 ARG A 72 14.473 10.127 4.151 1.00 1.06 H new ATOM 0 HE ARG A 72 13.373 12.143 5.642 1.00 1.30 H new ATOM 0 HH11 ARG A 72 12.189 8.994 4.570 1.00 1.56 H new ATOM 0 HH12 ARG A 72 11.145 8.778 5.979 1.00 1.56 H new ATOM 0 HH21 ARG A 72 12.029 11.855 7.449 1.00 1.42 H new ATOM 0 HH22 ARG A 72 11.055 10.389 7.600 1.00 1.42 H new ATOM 1129 N PHE A 73 11.298 13.759 0.440 1.00 0.60 N ATOM 1130 CA PHE A 73 10.694 14.780 -0.397 1.00 0.57 C ATOM 1131 C PHE A 73 9.444 14.294 -1.158 1.00 0.51 C ATOM 1132 O PHE A 73 8.463 13.910 -0.525 1.00 0.63 O ATOM 1133 CB PHE A 73 11.732 15.411 -1.342 1.00 0.64 C ATOM 1134 CG PHE A 73 12.585 14.460 -2.159 1.00 0.58 C ATOM 1135 CD1 PHE A 73 12.279 13.110 -2.291 1.00 1.24 C ATOM 1136 CD2 PHE A 73 13.707 14.946 -2.811 1.00 1.36 C ATOM 1137 CE1 PHE A 73 13.080 12.277 -3.054 1.00 1.31 C ATOM 1138 CE2 PHE A 73 14.507 14.116 -3.571 1.00 1.44 C ATOM 1139 CZ PHE A 73 14.193 12.780 -3.692 1.00 0.86 C ATOM 0 H PHE A 73 11.902 13.109 -0.064 1.00 0.60 H new ATOM 0 HA PHE A 73 10.337 15.556 0.280 1.00 0.57 H new ATOM 0 HB2 PHE A 73 11.206 16.072 -2.031 1.00 0.64 H new ATOM 0 HB3 PHE A 73 12.397 16.036 -0.746 1.00 0.64 H new ATOM 0 HD1 PHE A 73 11.409 12.707 -1.794 1.00 1.24 H new ATOM 0 HD2 PHE A 73 13.960 15.992 -2.723 1.00 1.36 H new ATOM 0 HE1 PHE A 73 12.832 11.230 -3.149 1.00 1.31 H new ATOM 0 HE2 PHE A 73 15.378 14.514 -4.070 1.00 1.44 H new ATOM 0 HZ PHE A 73 14.818 12.129 -4.285 1.00 0.86 H new ATOM 1149 N SER A 74 9.473 14.262 -2.500 1.00 0.48 N ATOM 1150 CA SER A 74 8.266 13.906 -3.258 1.00 0.46 C ATOM 1151 C SER A 74 8.356 12.610 -4.033 1.00 0.42 C ATOM 1152 O SER A 74 7.479 12.311 -4.845 1.00 0.47 O ATOM 1153 CB SER A 74 7.893 15.029 -4.221 1.00 0.60 C ATOM 1154 OG SER A 74 8.979 15.349 -5.074 1.00 1.01 O ATOM 0 H SER A 74 10.294 14.472 -3.068 1.00 0.48 H new ATOM 0 HA SER A 74 7.497 13.759 -2.500 1.00 0.46 H new ATOM 0 HB2 SER A 74 7.032 14.729 -4.819 1.00 0.60 H new ATOM 0 HB3 SER A 74 7.596 15.913 -3.657 1.00 0.60 H new ATOM 0 HG SER A 74 8.715 16.070 -5.683 1.00 1.01 H new ATOM 1160 N GLU A 75 9.380 11.838 -3.795 1.00 0.43 N ATOM 1161 CA GLU A 75 9.508 10.563 -4.473 1.00 0.42 C ATOM 1162 C GLU A 75 8.436 9.569 -3.997 1.00 0.42 C ATOM 1163 O GLU A 75 8.349 8.475 -4.532 1.00 0.55 O ATOM 1164 CB GLU A 75 10.877 9.958 -4.167 1.00 0.44 C ATOM 1165 CG GLU A 75 11.973 10.254 -5.152 1.00 0.60 C ATOM 1166 CD GLU A 75 11.765 9.590 -6.498 1.00 0.93 C ATOM 1167 OE1 GLU A 75 10.645 9.098 -6.749 1.00 1.60 O ATOM 1168 OE2 GLU A 75 12.721 9.559 -7.300 1.00 1.42 O ATOM 0 H GLU A 75 10.134 12.059 -3.145 1.00 0.43 H new ATOM 0 HA GLU A 75 9.387 10.741 -5.542 1.00 0.42 H new ATOM 0 HB2 GLU A 75 11.195 10.311 -3.186 1.00 0.44 H new ATOM 0 HB3 GLU A 75 10.764 8.876 -4.096 1.00 0.44 H new ATOM 0 HG2 GLU A 75 12.043 11.332 -5.294 1.00 0.60 H new ATOM 0 HG3 GLU A 75 12.925 9.925 -4.736 1.00 0.60 H new ATOM 1175 N TYR A 76 7.642 9.944 -2.964 1.00 0.38 N ATOM 1176 CA TYR A 76 6.632 9.040 -2.362 1.00 0.38 C ATOM 1177 C TYR A 76 5.914 8.176 -3.376 1.00 0.39 C ATOM 1178 O TYR A 76 5.470 7.084 -3.046 1.00 0.43 O ATOM 1179 CB TYR A 76 5.642 9.799 -1.460 1.00 0.40 C ATOM 1180 CG TYR A 76 5.970 9.755 0.029 1.00 0.41 C ATOM 1181 CD1 TYR A 76 6.814 8.783 0.567 1.00 1.22 C ATOM 1182 CD2 TYR A 76 5.468 10.719 0.893 1.00 1.29 C ATOM 1183 CE1 TYR A 76 7.141 8.766 1.890 1.00 1.25 C ATOM 1184 CE2 TYR A 76 5.800 10.714 2.235 1.00 1.30 C ATOM 1185 CZ TYR A 76 6.638 9.736 2.730 1.00 0.49 C ATOM 1186 OH TYR A 76 6.972 9.729 4.065 1.00 0.55 O ATOM 0 H TYR A 76 7.682 10.867 -2.531 1.00 0.38 H new ATOM 0 HA TYR A 76 7.195 8.354 -1.730 1.00 0.38 H new ATOM 0 HB2 TYR A 76 5.607 10.841 -1.779 1.00 0.40 H new ATOM 0 HB3 TYR A 76 4.645 9.385 -1.610 1.00 0.40 H new ATOM 0 HD1 TYR A 76 7.220 8.022 -0.083 1.00 1.22 H new ATOM 0 HD2 TYR A 76 4.808 11.484 0.511 1.00 1.29 H new ATOM 0 HE1 TYR A 76 7.791 7.996 2.278 1.00 1.25 H new ATOM 0 HE2 TYR A 76 5.405 11.473 2.894 1.00 1.30 H new ATOM 0 HH TYR A 76 6.534 10.481 4.516 1.00 0.55 H new ATOM 1196 N TRP A 77 5.848 8.613 -4.610 1.00 0.39 N ATOM 1197 CA TRP A 77 5.224 7.804 -5.650 1.00 0.43 C ATOM 1198 C TRP A 77 6.015 6.501 -5.848 1.00 0.45 C ATOM 1199 O TRP A 77 5.562 5.600 -6.549 1.00 0.49 O ATOM 1200 CB TRP A 77 5.192 8.560 -6.977 1.00 0.44 C ATOM 1201 CG TRP A 77 6.563 8.849 -7.486 1.00 0.44 C ATOM 1202 CD1 TRP A 77 7.472 7.933 -7.919 1.00 0.49 C ATOM 1203 CD2 TRP A 77 7.196 10.127 -7.596 1.00 0.45 C ATOM 1204 NE1 TRP A 77 8.630 8.557 -8.287 1.00 0.52 N ATOM 1205 CE2 TRP A 77 8.488 9.908 -8.103 1.00 0.50 C ATOM 1206 CE3 TRP A 77 6.796 11.434 -7.317 1.00 0.46 C ATOM 1207 CZ2 TRP A 77 9.384 10.950 -8.334 1.00 0.55 C ATOM 1208 CZ3 TRP A 77 7.681 12.466 -7.545 1.00 0.51 C ATOM 1209 CH2 TRP A 77 8.963 12.222 -8.049 1.00 0.55 C ATOM 0 H TRP A 77 6.212 9.512 -4.925 1.00 0.39 H new ATOM 0 HA TRP A 77 4.205 7.580 -5.336 1.00 0.43 H new ATOM 0 HB2 TRP A 77 4.647 7.973 -7.716 1.00 0.44 H new ATOM 0 HB3 TRP A 77 4.648 9.496 -6.849 1.00 0.44 H new ATOM 0 HD1 TRP A 77 7.302 6.867 -7.965 1.00 0.49 H new ATOM 0 HE1 TRP A 77 9.466 8.092 -8.642 1.00 0.52 H new ATOM 0 HE3 TRP A 77 5.808 11.634 -6.928 1.00 0.46 H new ATOM 0 HZ2 TRP A 77 10.374 10.762 -8.723 1.00 0.55 H new ATOM 0 HZ3 TRP A 77 7.379 13.481 -7.331 1.00 0.51 H new ATOM 0 HH2 TRP A 77 9.633 13.052 -8.217 1.00 0.55 H new ATOM 1220 N ARG A 78 7.201 6.406 -5.226 1.00 0.43 N ATOM 1221 CA ARG A 78 8.047 5.232 -5.358 1.00 0.47 C ATOM 1222 C ARG A 78 7.531 4.150 -4.431 1.00 0.49 C ATOM 1223 O ARG A 78 7.749 2.962 -4.664 1.00 0.61 O ATOM 1224 CB ARG A 78 9.515 5.600 -5.079 1.00 0.50 C ATOM 1225 CG ARG A 78 10.105 6.522 -6.131 1.00 0.60 C ATOM 1226 CD ARG A 78 10.519 5.753 -7.375 1.00 0.77 C ATOM 1227 NE ARG A 78 11.145 6.618 -8.371 1.00 1.48 N ATOM 1228 CZ ARG A 78 11.349 6.256 -9.634 1.00 1.75 C ATOM 1229 NH1 ARG A 78 10.973 5.056 -10.052 1.00 1.37 N ATOM 1230 NH2 ARG A 78 11.931 7.096 -10.479 1.00 2.82 N ATOM 0 H ARG A 78 7.588 7.136 -4.627 1.00 0.43 H new ATOM 0 HA ARG A 78 8.011 4.848 -6.377 1.00 0.47 H new ATOM 0 HB2 ARG A 78 9.584 6.080 -4.103 1.00 0.50 H new ATOM 0 HB3 ARG A 78 10.109 4.688 -5.029 1.00 0.50 H new ATOM 0 HG2 ARG A 78 9.374 7.285 -6.400 1.00 0.60 H new ATOM 0 HG3 ARG A 78 10.970 7.041 -5.718 1.00 0.60 H new ATOM 0 HD2 ARG A 78 11.213 4.960 -7.096 1.00 0.77 H new ATOM 0 HD3 ARG A 78 9.644 5.272 -7.812 1.00 0.77 H new ATOM 0 HE ARG A 78 11.442 7.550 -8.082 1.00 1.48 H new ATOM 0 HH11 ARG A 78 10.526 4.407 -9.404 1.00 1.37 H new ATOM 0 HH12 ARG A 78 11.131 4.781 -11.021 1.00 1.37 H new ATOM 0 HH21 ARG A 78 12.222 8.020 -10.160 1.00 2.82 H new ATOM 0 HH22 ARG A 78 12.087 6.818 -11.448 1.00 2.82 H new ATOM 1244 N LEU A 79 6.843 4.572 -3.368 1.00 0.43 N ATOM 1245 CA LEU A 79 6.223 3.629 -2.460 1.00 0.46 C ATOM 1246 C LEU A 79 4.961 3.074 -3.121 1.00 0.47 C ATOM 1247 O LEU A 79 4.466 2.009 -2.753 1.00 0.53 O ATOM 1248 CB LEU A 79 5.804 4.259 -1.118 1.00 0.55 C ATOM 1249 CG LEU A 79 6.410 5.615 -0.717 1.00 0.63 C ATOM 1250 CD1 LEU A 79 5.285 6.561 -0.307 1.00 1.24 C ATOM 1251 CD2 LEU A 79 7.373 5.434 0.445 1.00 0.89 C ATOM 0 H LEU A 79 6.707 5.553 -3.124 1.00 0.43 H new ATOM 0 HA LEU A 79 6.964 2.857 -2.252 1.00 0.46 H new ATOM 0 HB2 LEU A 79 4.720 4.372 -1.130 1.00 0.55 H new ATOM 0 HB3 LEU A 79 6.041 3.545 -0.329 1.00 0.55 H new ATOM 0 HG LEU A 79 6.955 6.032 -1.564 1.00 0.63 H new ATOM 0 HD11 LEU A 79 5.706 7.525 -0.021 1.00 1.24 H new ATOM 0 HD12 LEU A 79 4.601 6.698 -1.145 1.00 1.24 H new ATOM 0 HD13 LEU A 79 4.743 6.137 0.538 1.00 1.24 H new ATOM 0 HD21 LEU A 79 7.796 6.400 0.721 1.00 0.89 H new ATOM 0 HD22 LEU A 79 6.839 5.015 1.298 1.00 0.89 H new ATOM 0 HD23 LEU A 79 8.175 4.757 0.151 1.00 0.89 H new ATOM 1263 N ILE A 80 4.446 3.816 -4.102 1.00 0.46 N ATOM 1264 CA ILE A 80 3.227 3.445 -4.792 1.00 0.49 C ATOM 1265 C ILE A 80 3.164 1.950 -5.117 1.00 0.49 C ATOM 1266 O ILE A 80 2.218 1.268 -4.720 1.00 0.51 O ATOM 1267 CB ILE A 80 3.015 4.329 -6.060 1.00 0.53 C ATOM 1268 CG1 ILE A 80 1.524 4.517 -6.346 1.00 0.60 C ATOM 1269 CG2 ILE A 80 3.710 3.756 -7.279 1.00 0.57 C ATOM 1270 CD1 ILE A 80 0.801 5.325 -5.292 1.00 1.16 C ATOM 0 H ILE A 80 4.865 4.685 -4.433 1.00 0.46 H new ATOM 0 HA ILE A 80 2.400 3.636 -4.109 1.00 0.49 H new ATOM 0 HB ILE A 80 3.464 5.300 -5.849 1.00 0.53 H new ATOM 0 HG12 ILE A 80 1.407 5.009 -7.312 1.00 0.60 H new ATOM 0 HG13 ILE A 80 1.052 3.538 -6.428 1.00 0.60 H new ATOM 0 HG21 ILE A 80 3.534 4.405 -8.137 1.00 0.57 H new ATOM 0 HG22 ILE A 80 4.781 3.688 -7.089 1.00 0.57 H new ATOM 0 HG23 ILE A 80 3.315 2.762 -7.489 1.00 0.57 H new ATOM 0 HD11 ILE A 80 -0.251 5.417 -5.562 1.00 1.16 H new ATOM 0 HD12 ILE A 80 0.886 4.824 -4.328 1.00 1.16 H new ATOM 0 HD13 ILE A 80 1.246 6.318 -5.225 1.00 1.16 H new ATOM 1282 N GLY A 81 4.154 1.441 -5.836 1.00 0.48 N ATOM 1283 CA GLY A 81 4.165 0.032 -6.165 1.00 0.49 C ATOM 1284 C GLY A 81 4.720 -0.820 -5.040 1.00 0.43 C ATOM 1285 O GLY A 81 4.796 -2.040 -5.161 1.00 0.43 O ATOM 0 H GLY A 81 4.945 1.975 -6.195 1.00 0.48 H new ATOM 0 HA2 GLY A 81 3.150 -0.292 -6.396 1.00 0.49 H new ATOM 0 HA3 GLY A 81 4.762 -0.124 -7.064 1.00 0.49 H new ATOM 1289 N GLU A 82 5.102 -0.179 -3.937 1.00 0.41 N ATOM 1290 CA GLU A 82 5.681 -0.899 -2.800 1.00 0.39 C ATOM 1291 C GLU A 82 4.611 -1.523 -1.924 1.00 0.33 C ATOM 1292 O GLU A 82 4.469 -2.744 -1.869 1.00 0.34 O ATOM 1293 CB GLU A 82 6.527 0.042 -1.961 1.00 0.43 C ATOM 1294 CG GLU A 82 7.708 0.632 -2.717 1.00 0.46 C ATOM 1295 CD GLU A 82 8.719 -0.418 -3.134 1.00 0.71 C ATOM 1296 OE1 GLU A 82 8.549 -1.004 -4.224 1.00 1.47 O ATOM 1297 OE2 GLU A 82 9.681 -0.653 -2.373 1.00 1.39 O ATOM 0 H GLU A 82 5.023 0.829 -3.805 1.00 0.41 H new ATOM 0 HA GLU A 82 6.302 -1.699 -3.204 1.00 0.39 H new ATOM 0 HB2 GLU A 82 5.899 0.853 -1.594 1.00 0.43 H new ATOM 0 HB3 GLU A 82 6.896 -0.495 -1.087 1.00 0.43 H new ATOM 0 HG2 GLU A 82 7.344 1.152 -3.603 1.00 0.46 H new ATOM 0 HG3 GLU A 82 8.200 1.376 -2.091 1.00 0.46 H new ATOM 1304 N LEU A 83 3.867 -0.674 -1.223 1.00 0.34 N ATOM 1305 CA LEU A 83 2.797 -1.130 -0.344 1.00 0.35 C ATOM 1306 C LEU A 83 1.948 -2.183 -1.036 1.00 0.35 C ATOM 1307 O LEU A 83 1.354 -3.045 -0.393 1.00 0.43 O ATOM 1308 CB LEU A 83 1.925 0.052 0.064 1.00 0.43 C ATOM 1309 CG LEU A 83 2.161 0.588 1.473 1.00 0.50 C ATOM 1310 CD1 LEU A 83 1.363 1.866 1.688 1.00 1.26 C ATOM 1311 CD2 LEU A 83 1.783 -0.458 2.512 1.00 1.31 C ATOM 0 H LEU A 83 3.987 0.339 -1.247 1.00 0.34 H new ATOM 0 HA LEU A 83 3.243 -1.574 0.546 1.00 0.35 H new ATOM 0 HB2 LEU A 83 2.087 0.863 -0.646 1.00 0.43 H new ATOM 0 HB3 LEU A 83 0.879 -0.243 -0.023 1.00 0.43 H new ATOM 0 HG LEU A 83 3.221 0.815 1.587 1.00 0.50 H new ATOM 0 HD11 LEU A 83 1.539 2.240 2.697 1.00 1.26 H new ATOM 0 HD12 LEU A 83 1.677 2.617 0.963 1.00 1.26 H new ATOM 0 HD13 LEU A 83 0.301 1.658 1.558 1.00 1.26 H new ATOM 0 HD21 LEU A 83 1.958 -0.058 3.511 1.00 1.31 H new ATOM 0 HD22 LEU A 83 0.729 -0.715 2.403 1.00 1.31 H new ATOM 0 HD23 LEU A 83 2.391 -1.351 2.367 1.00 1.31 H new ATOM 1323 N ALA A 84 1.894 -2.102 -2.352 1.00 0.34 N ATOM 1324 CA ALA A 84 1.126 -3.047 -3.130 1.00 0.37 C ATOM 1325 C ALA A 84 1.882 -4.348 -3.321 1.00 0.41 C ATOM 1326 O ALA A 84 1.281 -5.421 -3.378 1.00 0.48 O ATOM 1327 CB ALA A 84 0.774 -2.451 -4.467 1.00 0.42 C ATOM 0 H ALA A 84 2.374 -1.390 -2.902 1.00 0.34 H new ATOM 0 HA ALA A 84 0.210 -3.268 -2.583 1.00 0.37 H new ATOM 0 HB1 ALA A 84 0.195 -3.171 -5.045 1.00 0.42 H new ATOM 0 HB2 ALA A 84 0.184 -1.547 -4.318 1.00 0.42 H new ATOM 0 HB3 ALA A 84 1.688 -2.203 -5.007 1.00 0.42 H new ATOM 1333 N LYS A 85 3.207 -4.258 -3.429 1.00 0.42 N ATOM 1334 CA LYS A 85 4.029 -5.450 -3.587 1.00 0.51 C ATOM 1335 C LYS A 85 3.679 -6.467 -2.520 1.00 0.50 C ATOM 1336 O LYS A 85 3.905 -7.651 -2.686 1.00 0.67 O ATOM 1337 CB LYS A 85 5.515 -5.101 -3.546 1.00 0.62 C ATOM 1338 CG LYS A 85 6.068 -4.713 -4.908 1.00 1.18 C ATOM 1339 CD LYS A 85 7.355 -3.921 -4.784 1.00 1.42 C ATOM 1340 CE LYS A 85 8.393 -4.684 -3.987 1.00 1.55 C ATOM 1341 NZ LYS A 85 8.843 -5.902 -4.707 1.00 2.69 N ATOM 0 H LYS A 85 3.727 -3.381 -3.410 1.00 0.42 H new ATOM 0 HA LYS A 85 3.822 -5.887 -4.564 1.00 0.51 H new ATOM 0 HB2 LYS A 85 5.671 -4.278 -2.848 1.00 0.62 H new ATOM 0 HB3 LYS A 85 6.073 -5.955 -3.162 1.00 0.62 H new ATOM 0 HG2 LYS A 85 6.249 -5.612 -5.497 1.00 1.18 H new ATOM 0 HG3 LYS A 85 5.327 -4.122 -5.447 1.00 1.18 H new ATOM 0 HD2 LYS A 85 7.746 -3.699 -5.777 1.00 1.42 H new ATOM 0 HD3 LYS A 85 7.152 -2.965 -4.301 1.00 1.42 H new ATOM 0 HE2 LYS A 85 9.249 -4.039 -3.791 1.00 1.55 H new ATOM 0 HE3 LYS A 85 7.977 -4.965 -3.020 1.00 1.55 H new ATOM 0 HZ1 LYS A 85 9.348 -6.528 -4.048 1.00 2.69 H new ATOM 0 HZ2 LYS A 85 8.017 -6.401 -5.094 1.00 2.69 H new ATOM 0 HZ3 LYS A 85 9.479 -5.631 -5.484 1.00 2.69 H new ATOM 1355 N GLU A 86 3.128 -5.986 -1.420 1.00 0.45 N ATOM 1356 CA GLU A 86 2.704 -6.854 -0.340 1.00 0.45 C ATOM 1357 C GLU A 86 1.351 -7.444 -0.676 1.00 0.44 C ATOM 1358 O GLU A 86 1.068 -8.605 -0.384 1.00 0.46 O ATOM 1359 CB GLU A 86 2.623 -6.056 0.956 1.00 0.48 C ATOM 1360 CG GLU A 86 3.772 -5.110 1.115 1.00 0.98 C ATOM 1361 CD GLU A 86 5.116 -5.800 1.023 1.00 2.08 C ATOM 1362 OE1 GLU A 86 5.546 -6.117 -0.106 1.00 2.91 O ATOM 1363 OE2 GLU A 86 5.738 -6.025 2.081 1.00 2.61 O ATOM 0 H GLU A 86 2.964 -4.993 -1.252 1.00 0.45 H new ATOM 0 HA GLU A 86 3.425 -7.661 -0.211 1.00 0.45 H new ATOM 0 HB2 GLU A 86 1.688 -5.495 0.977 1.00 0.48 H new ATOM 0 HB3 GLU A 86 2.601 -6.743 1.802 1.00 0.48 H new ATOM 0 HG2 GLU A 86 3.711 -4.339 0.347 1.00 0.98 H new ATOM 0 HG3 GLU A 86 3.692 -4.607 2.079 1.00 0.98 H new ATOM 1370 N VAL A 87 0.519 -6.620 -1.297 1.00 0.44 N ATOM 1371 CA VAL A 87 -0.811 -7.036 -1.683 1.00 0.46 C ATOM 1372 C VAL A 87 -0.810 -7.820 -2.990 1.00 0.47 C ATOM 1373 O VAL A 87 -1.797 -8.477 -3.322 1.00 0.54 O ATOM 1374 CB VAL A 87 -1.778 -5.824 -1.790 1.00 0.54 C ATOM 1375 CG1 VAL A 87 -3.079 -6.203 -2.491 1.00 1.00 C ATOM 1376 CG2 VAL A 87 -2.053 -5.243 -0.411 1.00 0.81 C ATOM 0 H VAL A 87 0.748 -5.657 -1.543 1.00 0.44 H new ATOM 0 HA VAL A 87 -1.168 -7.698 -0.894 1.00 0.46 H new ATOM 0 HB VAL A 87 -1.293 -5.061 -2.399 1.00 0.54 H new ATOM 0 HG11 VAL A 87 -3.730 -5.330 -2.547 1.00 1.00 H new ATOM 0 HG12 VAL A 87 -2.860 -6.558 -3.498 1.00 1.00 H new ATOM 0 HG13 VAL A 87 -3.578 -6.992 -1.929 1.00 1.00 H new ATOM 0 HG21 VAL A 87 -2.732 -4.395 -0.502 1.00 0.81 H new ATOM 0 HG22 VAL A 87 -2.508 -6.006 0.221 1.00 0.81 H new ATOM 0 HG23 VAL A 87 -1.116 -4.912 0.038 1.00 0.81 H new ATOM 1386 N ARG A 88 0.281 -7.754 -3.729 1.00 0.50 N ATOM 1387 CA ARG A 88 0.349 -8.456 -4.999 1.00 0.52 C ATOM 1388 C ARG A 88 0.355 -9.971 -4.790 1.00 0.50 C ATOM 1389 O ARG A 88 -0.347 -10.699 -5.491 1.00 0.59 O ATOM 1390 CB ARG A 88 1.568 -7.983 -5.791 1.00 0.56 C ATOM 1391 CG ARG A 88 1.394 -8.071 -7.299 1.00 0.67 C ATOM 1392 CD ARG A 88 1.369 -9.514 -7.774 1.00 1.33 C ATOM 1393 NE ARG A 88 1.346 -9.611 -9.230 1.00 1.83 N ATOM 1394 CZ ARG A 88 1.634 -10.723 -9.899 1.00 2.72 C ATOM 1395 NH1 ARG A 88 1.966 -11.826 -9.241 1.00 3.25 N ATOM 1396 NH2 ARG A 88 1.591 -10.733 -11.224 1.00 3.50 N ATOM 0 H ARG A 88 1.120 -7.231 -3.479 1.00 0.50 H new ATOM 0 HA ARG A 88 -0.542 -8.222 -5.581 1.00 0.52 H new ATOM 0 HB2 ARG A 88 1.787 -6.950 -5.520 1.00 0.56 H new ATOM 0 HB3 ARG A 88 2.433 -8.579 -5.499 1.00 0.56 H new ATOM 0 HG2 ARG A 88 0.467 -7.575 -7.589 1.00 0.67 H new ATOM 0 HG3 ARG A 88 2.208 -7.539 -7.792 1.00 0.67 H new ATOM 0 HD2 ARG A 88 2.245 -10.037 -7.390 1.00 1.33 H new ATOM 0 HD3 ARG A 88 0.493 -10.015 -7.364 1.00 1.33 H new ATOM 0 HE ARG A 88 1.095 -8.779 -9.764 1.00 1.83 H new ATOM 0 HH11 ARG A 88 2.000 -11.821 -8.222 1.00 3.25 H new ATOM 0 HH12 ARG A 88 2.187 -12.679 -9.754 1.00 3.25 H new ATOM 0 HH21 ARG A 88 1.337 -9.886 -11.732 1.00 3.50 H new ATOM 0 HH22 ARG A 88 1.812 -11.588 -11.735 1.00 3.50 H new ATOM 1410 N LYS A 89 1.140 -10.448 -3.829 1.00 0.47 N ATOM 1411 CA LYS A 89 1.185 -11.878 -3.532 1.00 0.49 C ATOM 1412 C LYS A 89 0.000 -12.251 -2.669 1.00 0.49 C ATOM 1413 O LYS A 89 -0.580 -13.328 -2.808 1.00 0.55 O ATOM 1414 CB LYS A 89 2.467 -12.280 -2.796 1.00 0.56 C ATOM 1415 CG LYS A 89 2.686 -11.552 -1.467 1.00 0.70 C ATOM 1416 CD LYS A 89 3.423 -10.218 -1.595 1.00 1.55 C ATOM 1417 CE LYS A 89 4.456 -10.186 -2.714 1.00 2.44 C ATOM 1418 NZ LYS A 89 3.884 -9.770 -4.024 1.00 3.29 N ATOM 0 H LYS A 89 1.749 -9.873 -3.247 1.00 0.47 H new ATOM 0 HA LYS A 89 1.160 -12.406 -4.485 1.00 0.49 H new ATOM 0 HB2 LYS A 89 2.443 -13.354 -2.609 1.00 0.56 H new ATOM 0 HB3 LYS A 89 3.320 -12.089 -3.446 1.00 0.56 H new ATOM 0 HG2 LYS A 89 1.718 -11.375 -0.999 1.00 0.70 H new ATOM 0 HG3 LYS A 89 3.250 -12.203 -0.798 1.00 0.70 H new ATOM 0 HD2 LYS A 89 2.693 -9.426 -1.765 1.00 1.55 H new ATOM 0 HD3 LYS A 89 3.919 -9.996 -0.650 1.00 1.55 H new ATOM 0 HE2 LYS A 89 5.258 -9.501 -2.440 1.00 2.44 H new ATOM 0 HE3 LYS A 89 4.903 -11.175 -2.817 1.00 2.44 H new ATOM 0 HZ1 LYS A 89 4.655 -9.587 -4.697 1.00 3.29 H new ATOM 0 HZ2 LYS A 89 3.275 -10.528 -4.393 1.00 3.29 H new ATOM 0 HZ3 LYS A 89 3.322 -8.904 -3.898 1.00 3.29 H new ATOM 1432 N GLU A 90 -0.350 -11.343 -1.773 1.00 0.47 N ATOM 1433 CA GLU A 90 -1.452 -11.554 -0.867 1.00 0.52 C ATOM 1434 C GLU A 90 -2.741 -11.777 -1.647 1.00 0.55 C ATOM 1435 O GLU A 90 -3.697 -12.349 -1.129 1.00 0.62 O ATOM 1436 CB GLU A 90 -1.567 -10.369 0.098 1.00 0.55 C ATOM 1437 CG GLU A 90 -0.576 -10.434 1.247 1.00 0.62 C ATOM 1438 CD GLU A 90 -0.738 -11.682 2.093 1.00 1.26 C ATOM 1439 OE1 GLU A 90 -0.154 -12.725 1.731 1.00 1.97 O ATOM 1440 OE2 GLU A 90 -1.448 -11.614 3.119 1.00 1.95 O ATOM 0 H GLU A 90 0.122 -10.446 -1.658 1.00 0.47 H new ATOM 0 HA GLU A 90 -1.270 -12.451 -0.275 1.00 0.52 H new ATOM 0 HB2 GLU A 90 -1.412 -9.442 -0.455 1.00 0.55 H new ATOM 0 HB3 GLU A 90 -2.579 -10.334 0.501 1.00 0.55 H new ATOM 0 HG2 GLU A 90 0.438 -10.400 0.849 1.00 0.62 H new ATOM 0 HG3 GLU A 90 -0.700 -9.554 1.878 1.00 0.62 H new ATOM 1447 N LYS A 91 -2.757 -11.351 -2.911 1.00 0.54 N ATOM 1448 CA LYS A 91 -3.930 -11.534 -3.751 1.00 0.61 C ATOM 1449 C LYS A 91 -4.375 -12.994 -3.721 1.00 0.63 C ATOM 1450 O LYS A 91 -5.534 -13.298 -3.443 1.00 0.70 O ATOM 1451 CB LYS A 91 -3.648 -11.073 -5.185 1.00 0.62 C ATOM 1452 CG LYS A 91 -2.838 -12.051 -6.020 1.00 0.61 C ATOM 1453 CD LYS A 91 -2.566 -11.499 -7.410 1.00 0.67 C ATOM 1454 CE LYS A 91 -1.747 -12.472 -8.245 1.00 0.70 C ATOM 1455 NZ LYS A 91 -1.474 -11.940 -9.609 1.00 1.38 N ATOM 0 H LYS A 91 -1.975 -10.881 -3.368 1.00 0.54 H new ATOM 0 HA LYS A 91 -4.741 -10.920 -3.359 1.00 0.61 H new ATOM 0 HB2 LYS A 91 -4.598 -10.889 -5.686 1.00 0.62 H new ATOM 0 HB3 LYS A 91 -3.117 -10.122 -5.148 1.00 0.62 H new ATOM 0 HG2 LYS A 91 -1.893 -12.264 -5.520 1.00 0.61 H new ATOM 0 HG3 LYS A 91 -3.376 -12.996 -6.101 1.00 0.61 H new ATOM 0 HD2 LYS A 91 -3.511 -11.293 -7.912 1.00 0.67 H new ATOM 0 HD3 LYS A 91 -2.035 -10.551 -7.329 1.00 0.67 H new ATOM 0 HE2 LYS A 91 -0.803 -12.678 -7.740 1.00 0.70 H new ATOM 0 HE3 LYS A 91 -2.280 -13.420 -8.325 1.00 0.70 H new ATOM 0 HZ1 LYS A 91 -0.844 -12.593 -10.117 1.00 1.38 H new ATOM 0 HZ2 LYS A 91 -2.369 -11.847 -10.131 1.00 1.38 H new ATOM 0 HZ3 LYS A 91 -1.019 -11.008 -9.533 1.00 1.38 H new ATOM 1469 N ALA A 92 -3.444 -13.889 -4.017 1.00 0.61 N ATOM 1470 CA ALA A 92 -3.718 -15.325 -4.017 1.00 0.66 C ATOM 1471 C ALA A 92 -3.603 -15.939 -2.623 1.00 0.64 C ATOM 1472 O ALA A 92 -4.123 -17.025 -2.376 1.00 0.70 O ATOM 1473 CB ALA A 92 -2.788 -16.039 -4.987 1.00 0.75 C ATOM 0 H ALA A 92 -2.484 -13.647 -4.262 1.00 0.61 H new ATOM 0 HA ALA A 92 -4.750 -15.456 -4.342 1.00 0.66 H new ATOM 0 HB1 ALA A 92 -3.003 -17.108 -4.977 1.00 0.75 H new ATOM 0 HB2 ALA A 92 -2.941 -15.647 -5.993 1.00 0.75 H new ATOM 0 HB3 ALA A 92 -1.753 -15.874 -4.687 1.00 0.75 H new ATOM 1479 N LEU A 93 -2.902 -15.264 -1.717 1.00 0.62 N ATOM 1480 CA LEU A 93 -2.731 -15.781 -0.362 1.00 0.66 C ATOM 1481 C LEU A 93 -3.950 -15.492 0.505 1.00 0.59 C ATOM 1482 O LEU A 93 -4.354 -16.326 1.315 1.00 0.64 O ATOM 1483 CB LEU A 93 -1.472 -15.205 0.289 1.00 0.75 C ATOM 1484 CG LEU A 93 -0.852 -16.103 1.361 1.00 0.82 C ATOM 1485 CD1 LEU A 93 0.634 -15.814 1.503 1.00 1.03 C ATOM 1486 CD2 LEU A 93 -1.562 -15.908 2.693 1.00 0.95 C ATOM 0 H LEU A 93 -2.448 -14.368 -1.893 1.00 0.62 H new ATOM 0 HA LEU A 93 -2.620 -16.863 -0.440 1.00 0.66 H new ATOM 0 HB2 LEU A 93 -0.729 -15.018 -0.486 1.00 0.75 H new ATOM 0 HB3 LEU A 93 -1.716 -14.241 0.735 1.00 0.75 H new ATOM 0 HG LEU A 93 -0.973 -17.142 1.054 1.00 0.82 H new ATOM 0 HD11 LEU A 93 1.059 -16.462 2.270 1.00 1.03 H new ATOM 0 HD12 LEU A 93 1.133 -16.001 0.552 1.00 1.03 H new ATOM 0 HD13 LEU A 93 0.776 -14.772 1.789 1.00 1.03 H new ATOM 0 HD21 LEU A 93 -1.109 -16.554 3.445 1.00 0.95 H new ATOM 0 HD22 LEU A 93 -1.470 -14.868 3.005 1.00 0.95 H new ATOM 0 HD23 LEU A 93 -2.616 -16.162 2.584 1.00 0.95 H new ATOM 1498 N GLY A 94 -4.541 -14.314 0.331 1.00 0.53 N ATOM 1499 CA GLY A 94 -5.715 -13.952 1.111 1.00 0.52 C ATOM 1500 C GLY A 94 -6.727 -15.069 1.177 1.00 0.52 C ATOM 1501 O GLY A 94 -7.348 -15.305 2.213 1.00 0.57 O ATOM 0 H GLY A 94 -4.231 -13.605 -0.333 1.00 0.53 H new ATOM 0 HA2 GLY A 94 -5.408 -13.683 2.122 1.00 0.52 H new ATOM 0 HA3 GLY A 94 -6.180 -13.069 0.674 1.00 0.52 H new ATOM 1505 N ILE A 95 -6.889 -15.754 0.059 1.00 0.54 N ATOM 1506 CA ILE A 95 -7.830 -16.852 -0.028 1.00 0.57 C ATOM 1507 C ILE A 95 -7.339 -18.031 0.790 1.00 0.61 C ATOM 1508 O ILE A 95 -6.907 -19.048 0.253 1.00 0.67 O ATOM 1509 CB ILE A 95 -8.067 -17.268 -1.495 1.00 0.63 C ATOM 1510 CG1 ILE A 95 -8.890 -18.561 -1.593 1.00 1.32 C ATOM 1511 CG2 ILE A 95 -6.740 -17.403 -2.207 1.00 1.09 C ATOM 1512 CD1 ILE A 95 -9.521 -18.776 -2.952 1.00 1.68 C ATOM 0 H ILE A 95 -6.378 -15.567 -0.804 1.00 0.54 H new ATOM 0 HA ILE A 95 -8.783 -16.516 0.380 1.00 0.57 H new ATOM 0 HB ILE A 95 -8.651 -16.489 -1.985 1.00 0.63 H new ATOM 0 HG12 ILE A 95 -8.246 -19.410 -1.362 1.00 1.32 H new ATOM 0 HG13 ILE A 95 -9.674 -18.541 -0.837 1.00 1.32 H new ATOM 0 HG21 ILE A 95 -6.911 -17.697 -3.243 1.00 1.09 H new ATOM 0 HG22 ILE A 95 -6.215 -16.448 -2.183 1.00 1.09 H new ATOM 0 HG23 ILE A 95 -6.136 -18.162 -1.710 1.00 1.09 H new ATOM 0 HD11 ILE A 95 -10.086 -19.708 -2.947 1.00 1.68 H new ATOM 0 HD12 ILE A 95 -10.191 -17.946 -3.177 1.00 1.68 H new ATOM 0 HD13 ILE A 95 -8.741 -18.829 -3.711 1.00 1.68 H new ATOM 1524 N ARG A 96 -7.388 -17.869 2.102 1.00 0.64 N ATOM 1525 CA ARG A 96 -6.964 -18.926 3.001 1.00 0.74 C ATOM 1526 C ARG A 96 -7.817 -20.171 2.769 1.00 0.82 C ATOM 1527 O ARG A 96 -7.427 -21.280 3.131 1.00 0.93 O ATOM 1528 CB ARG A 96 -7.063 -18.464 4.452 1.00 0.84 C ATOM 1529 CG ARG A 96 -5.981 -19.046 5.344 1.00 1.65 C ATOM 1530 CD ARG A 96 -4.682 -18.271 5.200 1.00 2.45 C ATOM 1531 NE ARG A 96 -3.580 -18.906 5.915 1.00 2.91 N ATOM 1532 CZ ARG A 96 -2.369 -18.369 6.026 1.00 3.85 C ATOM 1533 NH1 ARG A 96 -2.111 -17.190 5.477 1.00 4.47 N ATOM 1534 NH2 ARG A 96 -1.416 -19.010 6.689 1.00 4.48 N ATOM 0 H ARG A 96 -7.715 -17.021 2.565 1.00 0.64 H new ATOM 0 HA ARG A 96 -5.922 -19.172 2.797 1.00 0.74 H new ATOM 0 HB2 ARG A 96 -7.004 -17.376 4.484 1.00 0.84 H new ATOM 0 HB3 ARG A 96 -8.039 -18.742 4.849 1.00 0.84 H new ATOM 0 HG2 ARG A 96 -6.310 -19.022 6.383 1.00 1.65 H new ATOM 0 HG3 ARG A 96 -5.815 -20.092 5.086 1.00 1.65 H new ATOM 0 HD2 ARG A 96 -4.427 -18.186 4.144 1.00 2.45 H new ATOM 0 HD3 ARG A 96 -4.822 -17.258 5.577 1.00 2.45 H new ATOM 0 HE ARG A 96 -3.748 -19.811 6.354 1.00 2.91 H new ATOM 0 HH11 ARG A 96 -2.842 -16.693 4.968 1.00 4.47 H new ATOM 0 HH12 ARG A 96 -1.181 -16.780 5.563 1.00 4.47 H new ATOM 0 HH21 ARG A 96 -1.612 -19.916 7.114 1.00 4.48 H new ATOM 0 HH22 ARG A 96 -0.487 -18.597 6.773 1.00 4.48 H new ATOM 1548 N LYS A 97 -8.986 -19.971 2.159 1.00 0.83 N ATOM 1549 CA LYS A 97 -9.882 -21.083 1.847 1.00 0.95 C ATOM 1550 C LYS A 97 -9.465 -21.711 0.523 1.00 0.94 C ATOM 1551 O LYS A 97 -10.033 -21.412 -0.527 1.00 0.98 O ATOM 1552 CB LYS A 97 -11.359 -20.629 1.768 1.00 1.06 C ATOM 1553 CG LYS A 97 -11.555 -19.127 1.576 1.00 0.99 C ATOM 1554 CD LYS A 97 -11.389 -18.387 2.889 1.00 1.56 C ATOM 1555 CE LYS A 97 -11.265 -16.892 2.668 1.00 1.85 C ATOM 1556 NZ LYS A 97 -11.372 -16.131 3.943 1.00 2.92 N ATOM 0 H LYS A 97 -9.332 -19.055 1.873 1.00 0.83 H new ATOM 0 HA LYS A 97 -9.805 -21.814 2.652 1.00 0.95 H new ATOM 0 HB2 LYS A 97 -11.842 -21.153 0.944 1.00 1.06 H new ATOM 0 HB3 LYS A 97 -11.868 -20.934 2.682 1.00 1.06 H new ATOM 0 HG2 LYS A 97 -10.834 -18.752 0.849 1.00 0.99 H new ATOM 0 HG3 LYS A 97 -12.548 -18.935 1.169 1.00 0.99 H new ATOM 0 HD2 LYS A 97 -12.243 -18.592 3.534 1.00 1.56 H new ATOM 0 HD3 LYS A 97 -10.503 -18.755 3.407 1.00 1.56 H new ATOM 0 HE2 LYS A 97 -10.308 -16.673 2.194 1.00 1.85 H new ATOM 0 HE3 LYS A 97 -12.044 -16.561 1.981 1.00 1.85 H new ATOM 0 HZ1 LYS A 97 -11.248 -15.116 3.753 1.00 2.92 H new ATOM 0 HZ2 LYS A 97 -12.308 -16.292 4.366 1.00 2.92 H new ATOM 0 HZ3 LYS A 97 -10.634 -16.452 4.602 1.00 2.92 H new ATOM 1570 N LYS A 98 -8.460 -22.577 0.587 1.00 0.97 N ATOM 1571 CA LYS A 98 -7.950 -23.252 -0.599 1.00 1.06 C ATOM 1572 C LYS A 98 -8.260 -24.745 -0.561 1.00 1.22 C ATOM 1573 O LYS A 98 -7.433 -25.506 -0.017 1.00 1.61 O ATOM 1574 CB LYS A 98 -6.443 -23.018 -0.729 1.00 1.08 C ATOM 1575 CG LYS A 98 -6.097 -21.702 -1.411 1.00 1.07 C ATOM 1576 CD LYS A 98 -6.335 -21.787 -2.911 1.00 1.51 C ATOM 1577 CE LYS A 98 -6.392 -20.409 -3.549 1.00 2.00 C ATOM 1578 NZ LYS A 98 -5.128 -19.651 -3.347 1.00 2.74 N ATOM 1579 OXT LYS A 98 -9.329 -25.140 -1.072 1.00 1.70 O ATOM 0 H LYS A 98 -7.981 -22.828 1.452 1.00 0.97 H new ATOM 0 HA LYS A 98 -8.449 -22.832 -1.472 1.00 1.06 H new ATOM 0 HB2 LYS A 98 -5.992 -23.035 0.263 1.00 1.08 H new ATOM 0 HB3 LYS A 98 -6.002 -23.839 -1.294 1.00 1.08 H new ATOM 0 HG2 LYS A 98 -6.701 -20.899 -0.988 1.00 1.07 H new ATOM 0 HG3 LYS A 98 -5.054 -21.451 -1.218 1.00 1.07 H new ATOM 0 HD2 LYS A 98 -5.538 -22.370 -3.374 1.00 1.51 H new ATOM 0 HD3 LYS A 98 -7.269 -22.316 -3.102 1.00 1.51 H new ATOM 0 HE2 LYS A 98 -6.587 -20.511 -4.616 1.00 2.00 H new ATOM 0 HE3 LYS A 98 -7.224 -19.847 -3.125 1.00 2.00 H new ATOM 0 HZ1 LYS A 98 -5.182 -18.745 -3.854 1.00 2.74 H new ATOM 0 HZ2 LYS A 98 -4.989 -19.472 -2.332 1.00 2.74 H new ATOM 0 HZ3 LYS A 98 -4.328 -20.206 -3.714 1.00 2.74 H new ATOM 1594 N MET B 1 18.599 -4.244 -1.673 1.00 0.65 N ATOM 1595 CA MET B 1 18.035 -5.601 -1.902 1.00 0.59 C ATOM 1596 C MET B 1 16.724 -5.520 -2.661 1.00 0.59 C ATOM 1597 O MET B 1 16.231 -4.432 -2.953 1.00 0.60 O ATOM 1598 CB MET B 1 17.810 -6.305 -0.567 1.00 0.58 C ATOM 1599 CG MET B 1 18.928 -7.265 -0.150 1.00 0.60 C ATOM 1600 SD MET B 1 20.587 -6.751 -0.681 1.00 0.94 S ATOM 1601 CE MET B 1 21.601 -8.061 0.000 1.00 1.18 C ATOM 0 H1 MET B 1 19.549 -4.328 -1.259 1.00 0.65 H new ATOM 0 H2 MET B 1 18.659 -3.736 -2.578 1.00 0.65 H new ATOM 0 H3 MET B 1 17.983 -3.718 -1.021 1.00 0.65 H new ATOM 0 HA MET B 1 18.748 -6.170 -2.498 1.00 0.59 H new ATOM 0 HB2 MET B 1 17.690 -5.550 0.210 1.00 0.58 H new ATOM 0 HB3 MET B 1 16.874 -6.861 -0.619 1.00 0.58 H new ATOM 0 HG2 MET B 1 18.921 -7.364 0.935 1.00 0.60 H new ATOM 0 HG3 MET B 1 18.716 -8.252 -0.562 1.00 0.60 H new ATOM 0 HE1 MET B 1 22.379 -8.329 -0.715 1.00 1.18 H new ATOM 0 HE2 MET B 1 22.062 -7.720 0.927 1.00 1.18 H new ATOM 0 HE3 MET B 1 20.980 -8.933 0.204 1.00 1.18 H new ATOM 1613 N ALA B 2 16.169 -6.676 -2.992 1.00 0.61 N ATOM 1614 CA ALA B 2 14.914 -6.719 -3.724 1.00 0.64 C ATOM 1615 C ALA B 2 13.774 -7.272 -2.896 1.00 0.62 C ATOM 1616 O ALA B 2 13.856 -8.381 -2.369 1.00 0.71 O ATOM 1617 CB ALA B 2 15.056 -7.537 -4.994 1.00 0.72 C ATOM 0 H ALA B 2 16.564 -7.589 -2.767 1.00 0.61 H new ATOM 0 HA ALA B 2 14.673 -5.686 -3.976 1.00 0.64 H new ATOM 0 HB1 ALA B 2 14.104 -7.554 -5.524 1.00 0.72 H new ATOM 0 HB2 ALA B 2 15.818 -7.089 -5.632 1.00 0.72 H new ATOM 0 HB3 ALA B 2 15.348 -8.556 -4.740 1.00 0.72 H new ATOM 1623 N ALA B 3 12.703 -6.501 -2.790 1.00 0.73 N ATOM 1624 CA ALA B 3 11.530 -6.958 -2.078 1.00 0.75 C ATOM 1625 C ALA B 3 10.910 -8.078 -2.900 1.00 0.65 C ATOM 1626 O ALA B 3 10.175 -7.827 -3.849 1.00 0.81 O ATOM 1627 CB ALA B 3 10.541 -5.820 -1.884 1.00 1.04 C ATOM 0 H ALA B 3 12.626 -5.564 -3.186 1.00 0.73 H new ATOM 0 HA ALA B 3 11.801 -7.318 -1.086 1.00 0.75 H new ATOM 0 HB1 ALA B 3 9.666 -6.186 -1.346 1.00 1.04 H new ATOM 0 HB2 ALA B 3 11.012 -5.022 -1.310 1.00 1.04 H new ATOM 0 HB3 ALA B 3 10.234 -5.435 -2.856 1.00 1.04 H new ATOM 1633 N GLU B 4 11.218 -9.315 -2.553 1.00 0.62 N ATOM 1634 CA GLU B 4 10.708 -10.444 -3.313 1.00 0.75 C ATOM 1635 C GLU B 4 9.200 -10.565 -3.170 1.00 0.74 C ATOM 1636 O GLU B 4 8.451 -10.207 -4.080 1.00 0.86 O ATOM 1637 CB GLU B 4 11.370 -11.739 -2.856 1.00 0.97 C ATOM 1638 CG GLU B 4 12.778 -11.935 -3.365 1.00 1.45 C ATOM 1639 CD GLU B 4 12.958 -11.530 -4.816 1.00 2.42 C ATOM 1640 OE1 GLU B 4 12.752 -12.387 -5.701 1.00 3.02 O ATOM 1641 OE2 GLU B 4 13.308 -10.357 -5.065 1.00 3.20 O ATOM 0 H GLU B 4 11.811 -9.562 -1.761 1.00 0.62 H new ATOM 0 HA GLU B 4 10.945 -10.270 -4.362 1.00 0.75 H new ATOM 0 HB2 GLU B 4 11.385 -11.760 -1.766 1.00 0.97 H new ATOM 0 HB3 GLU B 4 10.758 -12.580 -3.183 1.00 0.97 H new ATOM 0 HG2 GLU B 4 13.464 -11.356 -2.746 1.00 1.45 H new ATOM 0 HG3 GLU B 4 13.054 -12.983 -3.251 1.00 1.45 H new ATOM 1648 N THR B 5 8.752 -11.069 -2.029 1.00 0.70 N ATOM 1649 CA THR B 5 7.328 -11.232 -1.795 1.00 0.75 C ATOM 1650 C THR B 5 6.813 -10.254 -0.724 1.00 0.62 C ATOM 1651 O THR B 5 6.704 -9.057 -0.985 1.00 0.79 O ATOM 1652 CB THR B 5 6.986 -12.692 -1.427 1.00 0.92 C ATOM 1653 OG1 THR B 5 7.421 -13.575 -2.467 1.00 1.42 O ATOM 1654 CG2 THR B 5 5.499 -12.864 -1.210 1.00 1.08 C ATOM 0 H THR B 5 9.349 -11.369 -1.258 1.00 0.70 H new ATOM 0 HA THR B 5 6.816 -10.993 -2.727 1.00 0.75 H new ATOM 0 HB THR B 5 7.503 -12.935 -0.499 1.00 0.92 H new ATOM 0 HG1 THR B 5 7.050 -14.469 -2.313 1.00 1.42 H new ATOM 0 HG21 THR B 5 5.287 -13.902 -0.952 1.00 1.08 H new ATOM 0 HG22 THR B 5 5.172 -12.214 -0.398 1.00 1.08 H new ATOM 0 HG23 THR B 5 4.965 -12.600 -2.123 1.00 1.08 H new ATOM 1662 N LEU B 6 6.531 -10.742 0.485 1.00 0.54 N ATOM 1663 CA LEU B 6 6.001 -9.886 1.535 1.00 0.50 C ATOM 1664 C LEU B 6 7.114 -9.156 2.280 1.00 0.49 C ATOM 1665 O LEU B 6 7.714 -9.695 3.210 1.00 0.56 O ATOM 1666 CB LEU B 6 5.158 -10.709 2.516 1.00 0.60 C ATOM 1667 CG LEU B 6 3.970 -11.447 1.897 1.00 0.75 C ATOM 1668 CD1 LEU B 6 4.329 -12.896 1.606 1.00 1.15 C ATOM 1669 CD2 LEU B 6 2.760 -11.369 2.815 1.00 1.07 C ATOM 0 H LEU B 6 6.661 -11.717 0.755 1.00 0.54 H new ATOM 0 HA LEU B 6 5.369 -9.134 1.063 1.00 0.50 H new ATOM 0 HB2 LEU B 6 5.805 -11.439 3.002 1.00 0.60 H new ATOM 0 HB3 LEU B 6 4.786 -10.045 3.296 1.00 0.60 H new ATOM 0 HG LEU B 6 3.719 -10.963 0.953 1.00 0.75 H new ATOM 0 HD11 LEU B 6 3.470 -13.402 1.166 1.00 1.15 H new ATOM 0 HD12 LEU B 6 5.166 -12.930 0.909 1.00 1.15 H new ATOM 0 HD13 LEU B 6 4.608 -13.395 2.534 1.00 1.15 H new ATOM 0 HD21 LEU B 6 1.923 -11.899 2.360 1.00 1.07 H new ATOM 0 HD22 LEU B 6 3.001 -11.827 3.774 1.00 1.07 H new ATOM 0 HD23 LEU B 6 2.487 -10.325 2.970 1.00 1.07 H new ATOM 1681 N THR B 7 7.384 -7.924 1.858 1.00 0.50 N ATOM 1682 CA THR B 7 8.408 -7.102 2.490 1.00 0.53 C ATOM 1683 C THR B 7 7.884 -6.543 3.801 1.00 0.48 C ATOM 1684 O THR B 7 6.734 -6.765 4.157 1.00 0.55 O ATOM 1685 CB THR B 7 8.826 -5.925 1.584 1.00 0.60 C ATOM 1686 OG1 THR B 7 8.418 -6.178 0.236 1.00 0.83 O ATOM 1687 CG2 THR B 7 10.332 -5.694 1.620 1.00 0.80 C ATOM 0 H THR B 7 6.905 -7.473 1.078 1.00 0.50 H new ATOM 0 HA THR B 7 9.277 -7.736 2.666 1.00 0.53 H new ATOM 0 HB THR B 7 8.334 -5.028 1.961 1.00 0.60 H new ATOM 0 HG1 THR B 7 7.460 -5.991 0.144 1.00 0.83 H new ATOM 0 HG21 THR B 7 10.587 -4.857 0.970 1.00 0.80 H new ATOM 0 HG22 THR B 7 10.641 -5.468 2.641 1.00 0.80 H new ATOM 0 HG23 THR B 7 10.846 -6.591 1.276 1.00 0.80 H new ATOM 1695 N GLU B 8 8.717 -5.805 4.514 1.00 0.46 N ATOM 1696 CA GLU B 8 8.306 -5.216 5.783 1.00 0.45 C ATOM 1697 C GLU B 8 6.952 -4.521 5.656 1.00 0.41 C ATOM 1698 O GLU B 8 6.207 -4.394 6.627 1.00 0.42 O ATOM 1699 CB GLU B 8 9.333 -4.186 6.249 1.00 0.50 C ATOM 1700 CG GLU B 8 10.722 -4.747 6.468 1.00 0.52 C ATOM 1701 CD GLU B 8 11.583 -4.714 5.220 1.00 1.09 C ATOM 1702 OE1 GLU B 8 11.550 -5.697 4.451 1.00 1.94 O ATOM 1703 OE2 GLU B 8 12.294 -3.708 5.013 1.00 1.67 O ATOM 0 H GLU B 8 9.678 -5.598 4.240 1.00 0.46 H new ATOM 0 HA GLU B 8 8.230 -6.027 6.508 1.00 0.45 H new ATOM 0 HB2 GLU B 8 9.389 -3.386 5.511 1.00 0.50 H new ATOM 0 HB3 GLU B 8 8.984 -3.737 7.179 1.00 0.50 H new ATOM 0 HG2 GLU B 8 11.216 -4.180 7.257 1.00 0.52 H new ATOM 0 HG3 GLU B 8 10.640 -5.776 6.818 1.00 0.52 H new ATOM 1710 N LEU B 9 6.656 -4.075 4.446 1.00 0.41 N ATOM 1711 CA LEU B 9 5.429 -3.352 4.160 1.00 0.40 C ATOM 1712 C LEU B 9 4.159 -4.186 4.328 1.00 0.38 C ATOM 1713 O LEU B 9 3.106 -3.634 4.639 1.00 0.40 O ATOM 1714 CB LEU B 9 5.535 -2.811 2.738 1.00 0.46 C ATOM 1715 CG LEU B 9 6.893 -2.183 2.394 1.00 0.58 C ATOM 1716 CD1 LEU B 9 6.793 -1.331 1.143 1.00 0.93 C ATOM 1717 CD2 LEU B 9 7.441 -1.377 3.568 1.00 0.93 C ATOM 0 H LEU B 9 7.260 -4.204 3.635 1.00 0.41 H new ATOM 0 HA LEU B 9 5.332 -2.548 4.890 1.00 0.40 H new ATOM 0 HB2 LEU B 9 5.337 -3.623 2.038 1.00 0.46 H new ATOM 0 HB3 LEU B 9 4.755 -2.064 2.588 1.00 0.46 H new ATOM 0 HG LEU B 9 7.596 -2.992 2.194 1.00 0.58 H new ATOM 0 HD11 LEU B 9 7.768 -0.897 0.920 1.00 0.93 H new ATOM 0 HD12 LEU B 9 6.471 -1.950 0.306 1.00 0.93 H new ATOM 0 HD13 LEU B 9 6.068 -0.533 1.303 1.00 0.93 H new ATOM 0 HD21 LEU B 9 8.403 -0.944 3.295 1.00 0.93 H new ATOM 0 HD22 LEU B 9 6.742 -0.579 3.819 1.00 0.93 H new ATOM 0 HD23 LEU B 9 7.569 -2.031 4.430 1.00 0.93 H new ATOM 1729 N GLU B 10 4.240 -5.506 4.151 1.00 0.38 N ATOM 1730 CA GLU B 10 3.054 -6.350 4.322 1.00 0.39 C ATOM 1731 C GLU B 10 2.492 -6.124 5.716 1.00 0.38 C ATOM 1732 O GLU B 10 1.293 -6.253 5.950 1.00 0.40 O ATOM 1733 CB GLU B 10 3.393 -7.825 4.127 1.00 0.45 C ATOM 1734 CG GLU B 10 4.659 -8.211 4.841 1.00 0.45 C ATOM 1735 CD GLU B 10 4.452 -9.351 5.817 1.00 0.55 C ATOM 1736 OE1 GLU B 10 4.409 -10.517 5.370 1.00 1.26 O ATOM 1737 OE2 GLU B 10 4.330 -9.079 7.030 1.00 1.16 O ATOM 0 H GLU B 10 5.092 -6.005 3.895 1.00 0.38 H new ATOM 0 HA GLU B 10 2.314 -6.079 3.569 1.00 0.39 H new ATOM 0 HB2 GLU B 10 2.569 -8.438 4.493 1.00 0.45 H new ATOM 0 HB3 GLU B 10 3.498 -8.035 3.063 1.00 0.45 H new ATOM 0 HG2 GLU B 10 5.413 -8.498 4.108 1.00 0.45 H new ATOM 0 HG3 GLU B 10 5.048 -7.345 5.376 1.00 0.45 H new ATOM 1744 N ALA B 11 3.382 -5.792 6.649 1.00 0.39 N ATOM 1745 CA ALA B 11 2.970 -5.498 8.007 1.00 0.39 C ATOM 1746 C ALA B 11 2.049 -4.293 7.975 1.00 0.36 C ATOM 1747 O ALA B 11 1.116 -4.179 8.769 1.00 0.39 O ATOM 1748 CB ALA B 11 4.177 -5.227 8.893 1.00 0.42 C ATOM 0 H ALA B 11 4.386 -5.722 6.484 1.00 0.39 H new ATOM 0 HA ALA B 11 2.445 -6.356 8.426 1.00 0.39 H new ATOM 0 HB1 ALA B 11 3.842 -5.009 9.907 1.00 0.42 H new ATOM 0 HB2 ALA B 11 4.824 -6.104 8.905 1.00 0.42 H new ATOM 0 HB3 ALA B 11 4.731 -4.373 8.502 1.00 0.42 H new ATOM 1754 N ALA B 12 2.332 -3.391 7.038 1.00 0.33 N ATOM 1755 CA ALA B 12 1.524 -2.199 6.856 1.00 0.32 C ATOM 1756 C ALA B 12 0.169 -2.585 6.289 1.00 0.33 C ATOM 1757 O ALA B 12 -0.853 -1.992 6.637 1.00 0.34 O ATOM 1758 CB ALA B 12 2.225 -1.209 5.944 1.00 0.34 C ATOM 0 H ALA B 12 3.119 -3.468 6.393 1.00 0.33 H new ATOM 0 HA ALA B 12 1.380 -1.717 7.823 1.00 0.32 H new ATOM 0 HB1 ALA B 12 1.602 -0.323 5.821 1.00 0.34 H new ATOM 0 HB2 ALA B 12 3.180 -0.923 6.384 1.00 0.34 H new ATOM 0 HB3 ALA B 12 2.397 -1.669 4.971 1.00 0.34 H new ATOM 1764 N ILE B 13 0.163 -3.590 5.408 1.00 0.36 N ATOM 1765 CA ILE B 13 -1.081 -4.072 4.827 1.00 0.40 C ATOM 1766 C ILE B 13 -2.063 -4.418 5.952 1.00 0.39 C ATOM 1767 O ILE B 13 -3.277 -4.421 5.752 1.00 0.42 O ATOM 1768 CB ILE B 13 -0.852 -5.300 3.897 1.00 0.47 C ATOM 1769 CG1 ILE B 13 -0.298 -4.836 2.546 1.00 0.90 C ATOM 1770 CG2 ILE B 13 -2.135 -6.099 3.676 1.00 0.99 C ATOM 1771 CD1 ILE B 13 0.853 -3.862 2.662 1.00 2.05 C ATOM 0 H ILE B 13 1.000 -4.078 5.088 1.00 0.36 H new ATOM 0 HA ILE B 13 -1.500 -3.280 4.206 1.00 0.40 H new ATOM 0 HB ILE B 13 -0.133 -5.954 4.391 1.00 0.47 H new ATOM 0 HG12 ILE B 13 0.031 -5.707 1.980 1.00 0.90 H new ATOM 0 HG13 ILE B 13 -1.101 -4.369 1.975 1.00 0.90 H new ATOM 0 HG21 ILE B 13 -1.928 -6.946 3.022 1.00 0.99 H new ATOM 0 HG22 ILE B 13 -2.507 -6.463 4.634 1.00 0.99 H new ATOM 0 HG23 ILE B 13 -2.887 -5.459 3.215 1.00 0.99 H new ATOM 0 HD11 ILE B 13 1.192 -3.579 1.665 1.00 2.05 H new ATOM 0 HD12 ILE B 13 0.524 -2.973 3.200 1.00 2.05 H new ATOM 0 HD13 ILE B 13 1.674 -4.331 3.204 1.00 2.05 H new ATOM 1783 N GLU B 14 -1.515 -4.707 7.136 1.00 0.39 N ATOM 1784 CA GLU B 14 -2.322 -5.042 8.299 1.00 0.42 C ATOM 1785 C GLU B 14 -3.148 -3.844 8.759 1.00 0.38 C ATOM 1786 O GLU B 14 -4.296 -4.003 9.176 1.00 0.46 O ATOM 1787 CB GLU B 14 -1.430 -5.531 9.442 1.00 0.46 C ATOM 1788 CG GLU B 14 -0.588 -6.744 9.079 1.00 0.79 C ATOM 1789 CD GLU B 14 0.232 -7.255 10.248 1.00 1.46 C ATOM 1790 OE1 GLU B 14 -0.286 -8.095 11.014 1.00 2.25 O ATOM 1791 OE2 GLU B 14 1.391 -6.814 10.399 1.00 2.02 O ATOM 0 H GLU B 14 -0.510 -4.714 7.308 1.00 0.39 H new ATOM 0 HA GLU B 14 -3.007 -5.841 8.013 1.00 0.42 H new ATOM 0 HB2 GLU B 14 -0.770 -4.720 9.750 1.00 0.46 H new ATOM 0 HB3 GLU B 14 -2.055 -5.777 10.300 1.00 0.46 H new ATOM 0 HG2 GLU B 14 -1.240 -7.541 8.722 1.00 0.79 H new ATOM 0 HG3 GLU B 14 0.080 -6.486 8.257 1.00 0.79 H new ATOM 1798 N THR B 15 -2.569 -2.644 8.693 1.00 0.30 N ATOM 1799 CA THR B 15 -3.278 -1.456 9.099 1.00 0.28 C ATOM 1800 C THR B 15 -4.439 -1.210 8.156 1.00 0.28 C ATOM 1801 O THR B 15 -5.598 -1.172 8.555 1.00 0.34 O ATOM 1802 CB THR B 15 -2.361 -0.217 9.098 1.00 0.28 C ATOM 1803 OG1 THR B 15 -1.284 -0.392 10.023 1.00 0.29 O ATOM 1804 CG2 THR B 15 -3.139 1.041 9.459 1.00 0.32 C ATOM 0 H THR B 15 -1.618 -2.482 8.363 1.00 0.30 H new ATOM 0 HA THR B 15 -3.638 -1.616 10.115 1.00 0.28 H new ATOM 0 HB THR B 15 -1.959 -0.103 8.091 1.00 0.28 H new ATOM 0 HG1 THR B 15 -0.490 0.078 9.693 1.00 0.29 H new ATOM 0 HG21 THR B 15 -2.467 1.899 9.451 1.00 0.32 H new ATOM 0 HG22 THR B 15 -3.936 1.197 8.732 1.00 0.32 H new ATOM 0 HG23 THR B 15 -3.572 0.929 10.453 1.00 0.32 H new ATOM 1812 N VAL B 16 -4.096 -1.064 6.891 1.00 0.27 N ATOM 1813 CA VAL B 16 -5.071 -0.824 5.841 1.00 0.28 C ATOM 1814 C VAL B 16 -6.173 -1.874 5.850 1.00 0.30 C ATOM 1815 O VAL B 16 -7.356 -1.547 5.757 1.00 0.36 O ATOM 1816 CB VAL B 16 -4.374 -0.843 4.471 1.00 0.30 C ATOM 1817 CG1 VAL B 16 -3.649 -2.156 4.281 1.00 0.33 C ATOM 1818 CG2 VAL B 16 -5.361 -0.625 3.339 1.00 0.33 C ATOM 0 H VAL B 16 -3.132 -1.108 6.560 1.00 0.27 H new ATOM 0 HA VAL B 16 -5.522 0.152 6.024 1.00 0.28 H new ATOM 0 HB VAL B 16 -3.656 -0.023 4.448 1.00 0.30 H new ATOM 0 HG11 VAL B 16 -3.157 -2.163 3.308 1.00 0.33 H new ATOM 0 HG12 VAL B 16 -2.902 -2.276 5.066 1.00 0.33 H new ATOM 0 HG13 VAL B 16 -4.364 -2.977 4.332 1.00 0.33 H new ATOM 0 HG21 VAL B 16 -4.832 -0.645 2.386 1.00 0.33 H new ATOM 0 HG22 VAL B 16 -6.112 -1.415 3.354 1.00 0.33 H new ATOM 0 HG23 VAL B 16 -5.849 0.342 3.463 1.00 0.33 H new ATOM 1828 N VAL B 17 -5.781 -3.134 5.963 1.00 0.31 N ATOM 1829 CA VAL B 17 -6.740 -4.224 5.959 1.00 0.33 C ATOM 1830 C VAL B 17 -7.542 -4.267 7.251 1.00 0.30 C ATOM 1831 O VAL B 17 -8.753 -4.489 7.235 1.00 0.33 O ATOM 1832 CB VAL B 17 -6.052 -5.580 5.745 1.00 0.43 C ATOM 1833 CG1 VAL B 17 -5.165 -5.929 6.929 1.00 0.45 C ATOM 1834 CG2 VAL B 17 -7.084 -6.671 5.502 1.00 0.50 C ATOM 0 H VAL B 17 -4.808 -3.425 6.058 1.00 0.31 H new ATOM 0 HA VAL B 17 -7.419 -4.037 5.127 1.00 0.33 H new ATOM 0 HB VAL B 17 -5.419 -5.506 4.861 1.00 0.43 H new ATOM 0 HG11 VAL B 17 -4.688 -6.894 6.755 1.00 0.45 H new ATOM 0 HG12 VAL B 17 -4.400 -5.162 7.049 1.00 0.45 H new ATOM 0 HG13 VAL B 17 -5.770 -5.982 7.834 1.00 0.45 H new ATOM 0 HG21 VAL B 17 -6.577 -7.624 5.353 1.00 0.50 H new ATOM 0 HG22 VAL B 17 -7.747 -6.744 6.364 1.00 0.50 H new ATOM 0 HG23 VAL B 17 -7.669 -6.428 4.615 1.00 0.50 H new ATOM 1844 N SER B 18 -6.861 -4.052 8.368 1.00 0.33 N ATOM 1845 CA SER B 18 -7.512 -4.075 9.669 1.00 0.40 C ATOM 1846 C SER B 18 -8.227 -2.758 9.972 1.00 0.44 C ATOM 1847 O SER B 18 -8.928 -2.648 10.975 1.00 0.59 O ATOM 1848 CB SER B 18 -6.492 -4.380 10.768 1.00 0.51 C ATOM 1849 OG SER B 18 -5.863 -5.630 10.545 1.00 1.32 O ATOM 0 H SER B 18 -5.860 -3.860 8.399 1.00 0.33 H new ATOM 0 HA SER B 18 -8.264 -4.864 9.643 1.00 0.40 H new ATOM 0 HB2 SER B 18 -5.740 -3.591 10.800 1.00 0.51 H new ATOM 0 HB3 SER B 18 -6.989 -4.387 11.738 1.00 0.51 H new ATOM 0 HG SER B 18 -5.086 -5.506 9.961 1.00 1.32 H new ATOM 1855 N THR B 19 -7.969 -1.731 9.169 1.00 0.37 N ATOM 1856 CA THR B 19 -8.638 -0.445 9.354 1.00 0.45 C ATOM 1857 C THR B 19 -9.971 -0.360 8.609 1.00 0.46 C ATOM 1858 O THR B 19 -11.028 -0.669 9.158 1.00 0.53 O ATOM 1859 CB THR B 19 -7.752 0.758 8.961 1.00 0.45 C ATOM 1860 OG1 THR B 19 -7.277 0.632 7.613 1.00 0.42 O ATOM 1861 CG2 THR B 19 -6.577 0.897 9.916 1.00 0.49 C ATOM 0 H THR B 19 -7.309 -1.761 8.392 1.00 0.37 H new ATOM 0 HA THR B 19 -8.835 -0.389 10.425 1.00 0.45 H new ATOM 0 HB THR B 19 -8.366 1.656 9.027 1.00 0.45 H new ATOM 0 HG1 THR B 19 -6.640 -0.110 7.559 1.00 0.42 H new ATOM 0 HG21 THR B 19 -5.967 1.750 9.620 1.00 0.49 H new ATOM 0 HG22 THR B 19 -6.948 1.050 10.929 1.00 0.49 H new ATOM 0 HG23 THR B 19 -5.973 -0.010 9.884 1.00 0.49 H new ATOM 1869 N PHE B 20 -9.900 0.068 7.349 1.00 0.45 N ATOM 1870 CA PHE B 20 -11.076 0.250 6.512 1.00 0.53 C ATOM 1871 C PHE B 20 -11.598 -1.058 5.936 1.00 0.53 C ATOM 1872 O PHE B 20 -12.793 -1.342 6.009 1.00 0.68 O ATOM 1873 CB PHE B 20 -10.719 1.249 5.399 1.00 0.60 C ATOM 1874 CG PHE B 20 -11.498 1.104 4.123 1.00 0.72 C ATOM 1875 CD1 PHE B 20 -12.866 0.921 4.149 1.00 1.59 C ATOM 1876 CD2 PHE B 20 -10.849 1.142 2.900 1.00 1.26 C ATOM 1877 CE1 PHE B 20 -13.577 0.782 2.978 1.00 1.77 C ATOM 1878 CE2 PHE B 20 -11.554 1.000 1.725 1.00 1.37 C ATOM 1879 CZ PHE B 20 -12.921 0.821 1.765 1.00 1.18 C ATOM 0 H PHE B 20 -9.022 0.298 6.883 1.00 0.45 H new ATOM 0 HA PHE B 20 -11.888 0.640 7.126 1.00 0.53 H new ATOM 0 HB2 PHE B 20 -10.866 2.259 5.781 1.00 0.60 H new ATOM 0 HB3 PHE B 20 -9.658 1.147 5.170 1.00 0.60 H new ATOM 0 HD1 PHE B 20 -13.383 0.887 5.096 1.00 1.59 H new ATOM 0 HD2 PHE B 20 -9.779 1.284 2.867 1.00 1.26 H new ATOM 0 HE1 PHE B 20 -14.648 0.643 3.009 1.00 1.77 H new ATOM 0 HE2 PHE B 20 -11.038 1.029 0.776 1.00 1.37 H new ATOM 0 HZ PHE B 20 -13.478 0.711 0.846 1.00 1.18 H new ATOM 1889 N PHE B 21 -10.713 -1.846 5.363 1.00 0.44 N ATOM 1890 CA PHE B 21 -11.115 -3.087 4.752 1.00 0.47 C ATOM 1891 C PHE B 21 -11.924 -3.960 5.707 1.00 0.49 C ATOM 1892 O PHE B 21 -12.664 -4.843 5.280 1.00 0.63 O ATOM 1893 CB PHE B 21 -9.886 -3.827 4.226 1.00 0.47 C ATOM 1894 CG PHE B 21 -9.082 -3.060 3.207 1.00 0.45 C ATOM 1895 CD1 PHE B 21 -9.564 -1.886 2.649 1.00 1.39 C ATOM 1896 CD2 PHE B 21 -7.832 -3.516 2.811 1.00 1.15 C ATOM 1897 CE1 PHE B 21 -8.819 -1.187 1.722 1.00 1.44 C ATOM 1898 CE2 PHE B 21 -7.085 -2.820 1.886 1.00 1.13 C ATOM 1899 CZ PHE B 21 -7.578 -1.652 1.339 1.00 0.53 C ATOM 0 H PHE B 21 -9.714 -1.647 5.309 1.00 0.44 H new ATOM 0 HA PHE B 21 -11.772 -2.856 3.914 1.00 0.47 H new ATOM 0 HB2 PHE B 21 -9.240 -4.075 5.068 1.00 0.47 H new ATOM 0 HB3 PHE B 21 -10.207 -4.769 3.782 1.00 0.47 H new ATOM 0 HD1 PHE B 21 -10.534 -1.514 2.944 1.00 1.39 H new ATOM 0 HD2 PHE B 21 -7.440 -4.429 3.234 1.00 1.15 H new ATOM 0 HE1 PHE B 21 -9.208 -0.274 1.295 1.00 1.44 H new ATOM 0 HE2 PHE B 21 -6.114 -3.188 1.589 1.00 1.13 H new ATOM 0 HZ PHE B 21 -6.994 -1.104 0.614 1.00 0.53 H new ATOM 1909 N THR B 22 -11.800 -3.703 6.997 1.00 0.48 N ATOM 1910 CA THR B 22 -12.541 -4.460 7.997 1.00 0.54 C ATOM 1911 C THR B 22 -14.012 -4.587 7.637 1.00 0.48 C ATOM 1912 O THR B 22 -14.685 -5.526 8.063 1.00 0.53 O ATOM 1913 CB THR B 22 -12.449 -3.786 9.364 1.00 0.65 C ATOM 1914 OG1 THR B 22 -13.027 -2.475 9.307 1.00 0.66 O ATOM 1915 CG2 THR B 22 -11.009 -3.692 9.798 1.00 0.81 C ATOM 0 H THR B 22 -11.194 -2.977 7.379 1.00 0.48 H new ATOM 0 HA THR B 22 -12.090 -5.452 8.029 1.00 0.54 H new ATOM 0 HB THR B 22 -13.000 -4.385 10.089 1.00 0.65 H new ATOM 0 HG1 THR B 22 -12.337 -1.805 9.494 1.00 0.66 H new ATOM 0 HG21 THR B 22 -10.954 -3.210 10.774 1.00 0.81 H new ATOM 0 HG22 THR B 22 -10.583 -4.693 9.863 1.00 0.81 H new ATOM 0 HG23 THR B 22 -10.448 -3.105 9.071 1.00 0.81 H new ATOM 1923 N PHE B 23 -14.513 -3.640 6.849 1.00 0.49 N ATOM 1924 CA PHE B 23 -15.916 -3.658 6.463 1.00 0.51 C ATOM 1925 C PHE B 23 -16.265 -4.879 5.609 1.00 0.44 C ATOM 1926 O PHE B 23 -17.433 -5.122 5.321 1.00 0.46 O ATOM 1927 CB PHE B 23 -16.321 -2.321 5.818 1.00 0.68 C ATOM 1928 CG PHE B 23 -16.453 -2.268 4.324 1.00 0.61 C ATOM 1929 CD1 PHE B 23 -17.498 -2.895 3.660 1.00 1.48 C ATOM 1930 CD2 PHE B 23 -15.562 -1.512 3.591 1.00 1.46 C ATOM 1931 CE1 PHE B 23 -17.632 -2.776 2.297 1.00 1.88 C ATOM 1932 CE2 PHE B 23 -15.700 -1.381 2.235 1.00 1.93 C ATOM 1933 CZ PHE B 23 -16.735 -2.015 1.589 1.00 1.83 C ATOM 0 H PHE B 23 -13.975 -2.861 6.470 1.00 0.49 H new ATOM 0 HA PHE B 23 -16.516 -3.764 7.367 1.00 0.51 H new ATOM 0 HB2 PHE B 23 -17.276 -2.019 6.248 1.00 0.68 H new ATOM 0 HB3 PHE B 23 -15.587 -1.572 6.115 1.00 0.68 H new ATOM 0 HD1 PHE B 23 -18.212 -3.482 4.219 1.00 1.48 H new ATOM 0 HD2 PHE B 23 -14.744 -1.017 4.093 1.00 1.46 H new ATOM 0 HE1 PHE B 23 -18.439 -3.279 1.785 1.00 1.88 H new ATOM 0 HE2 PHE B 23 -14.998 -0.781 1.675 1.00 1.93 H new ATOM 0 HZ PHE B 23 -16.843 -1.914 0.519 1.00 1.83 H new ATOM 1943 N ALA B 24 -15.257 -5.666 5.225 1.00 0.51 N ATOM 1944 CA ALA B 24 -15.499 -6.893 4.466 1.00 0.59 C ATOM 1945 C ALA B 24 -16.569 -7.717 5.149 1.00 0.61 C ATOM 1946 O ALA B 24 -17.434 -8.313 4.505 1.00 0.67 O ATOM 1947 CB ALA B 24 -14.224 -7.717 4.367 1.00 0.71 C ATOM 0 H ALA B 24 -14.275 -5.477 5.425 1.00 0.51 H new ATOM 0 HA ALA B 24 -15.827 -6.619 3.463 1.00 0.59 H new ATOM 0 HB1 ALA B 24 -14.422 -8.626 3.799 1.00 0.71 H new ATOM 0 HB2 ALA B 24 -13.453 -7.135 3.863 1.00 0.71 H new ATOM 0 HB3 ALA B 24 -13.883 -7.981 5.368 1.00 0.71 H new ATOM 1953 N GLY B 25 -16.492 -7.735 6.468 1.00 0.71 N ATOM 1954 CA GLY B 25 -17.453 -8.465 7.255 1.00 0.85 C ATOM 1955 C GLY B 25 -18.864 -7.996 6.978 1.00 0.74 C ATOM 1956 O GLY B 25 -19.826 -8.688 7.317 1.00 0.82 O ATOM 0 H GLY B 25 -15.775 -7.252 7.009 1.00 0.71 H new ATOM 0 HA2 GLY B 25 -17.372 -9.530 7.035 1.00 0.85 H new ATOM 0 HA3 GLY B 25 -17.228 -8.340 8.314 1.00 0.85 H new ATOM 1960 N ARG B 26 -18.994 -6.802 6.369 1.00 0.61 N ATOM 1961 CA ARG B 26 -20.300 -6.245 5.998 1.00 0.59 C ATOM 1962 C ARG B 26 -21.185 -7.359 5.475 1.00 0.58 C ATOM 1963 O ARG B 26 -22.248 -7.648 6.025 1.00 0.72 O ATOM 1964 CB ARG B 26 -20.123 -5.182 4.907 1.00 0.61 C ATOM 1965 CG ARG B 26 -21.425 -4.740 4.260 1.00 1.18 C ATOM 1966 CD ARG B 26 -22.234 -3.873 5.201 1.00 0.96 C ATOM 1967 NE ARG B 26 -23.549 -3.543 4.662 1.00 1.55 N ATOM 1968 CZ ARG B 26 -24.521 -2.989 5.383 1.00 1.95 C ATOM 1969 NH1 ARG B 26 -24.320 -2.706 6.664 1.00 2.01 N ATOM 1970 NH2 ARG B 26 -25.691 -2.715 4.824 1.00 2.82 N ATOM 0 H ARG B 26 -18.204 -6.205 6.124 1.00 0.61 H new ATOM 0 HA ARG B 26 -20.759 -5.786 6.874 1.00 0.59 H new ATOM 0 HB2 ARG B 26 -19.629 -4.311 5.339 1.00 0.61 H new ATOM 0 HB3 ARG B 26 -19.460 -5.574 4.136 1.00 0.61 H new ATOM 0 HG2 ARG B 26 -21.211 -4.188 3.345 1.00 1.18 H new ATOM 0 HG3 ARG B 26 -22.009 -5.615 3.975 1.00 1.18 H new ATOM 0 HD2 ARG B 26 -22.354 -4.389 6.153 1.00 0.96 H new ATOM 0 HD3 ARG B 26 -21.686 -2.953 5.404 1.00 0.96 H new ATOM 0 HE ARG B 26 -23.733 -3.748 3.680 1.00 1.55 H new ATOM 0 HH11 ARG B 26 -23.420 -2.913 7.097 1.00 2.01 H new ATOM 0 HH12 ARG B 26 -25.066 -2.281 7.216 1.00 2.01 H new ATOM 0 HH21 ARG B 26 -25.848 -2.929 3.839 1.00 2.82 H new ATOM 0 HH22 ARG B 26 -26.434 -2.290 5.379 1.00 2.82 H new ATOM 1984 N GLU B 27 -20.723 -7.970 4.401 1.00 0.50 N ATOM 1985 CA GLU B 27 -21.428 -9.105 3.826 1.00 0.57 C ATOM 1986 C GLU B 27 -20.423 -10.107 3.284 1.00 0.80 C ATOM 1987 O GLU B 27 -20.069 -10.077 2.105 1.00 1.26 O ATOM 1988 CB GLU B 27 -22.366 -8.640 2.714 1.00 0.97 C ATOM 1989 CG GLU B 27 -21.745 -7.604 1.794 1.00 0.85 C ATOM 1990 CD GLU B 27 -22.605 -7.311 0.582 1.00 1.10 C ATOM 1991 OE1 GLU B 27 -22.496 -8.054 -0.417 1.00 1.79 O ATOM 1992 OE2 GLU B 27 -23.390 -6.341 0.630 1.00 1.63 O ATOM 0 H GLU B 27 -19.869 -7.704 3.910 1.00 0.50 H new ATOM 0 HA GLU B 27 -22.026 -9.583 4.602 1.00 0.57 H new ATOM 0 HB2 GLU B 27 -22.672 -9.503 2.123 1.00 0.97 H new ATOM 0 HB3 GLU B 27 -23.269 -8.223 3.161 1.00 0.97 H new ATOM 0 HG2 GLU B 27 -21.581 -6.681 2.350 1.00 0.85 H new ATOM 0 HG3 GLU B 27 -20.767 -7.955 1.465 1.00 0.85 H new ATOM 1999 N GLY B 28 -19.961 -10.994 4.160 1.00 1.32 N ATOM 2000 CA GLY B 28 -18.997 -11.989 3.752 1.00 1.87 C ATOM 2001 C GLY B 28 -18.985 -13.223 4.625 1.00 1.35 C ATOM 2002 O GLY B 28 -19.735 -13.339 5.594 1.00 1.58 O ATOM 0 H GLY B 28 -20.238 -11.038 5.141 1.00 1.32 H new ATOM 0 HA2 GLY B 28 -19.207 -12.285 2.724 1.00 1.87 H new ATOM 0 HA3 GLY B 28 -18.003 -11.542 3.758 1.00 1.87 H new ATOM 2006 N ARG B 29 -18.112 -14.141 4.252 1.00 1.15 N ATOM 2007 CA ARG B 29 -17.893 -15.381 4.974 1.00 1.06 C ATOM 2008 C ARG B 29 -16.453 -15.793 4.732 1.00 1.14 C ATOM 2009 O ARG B 29 -15.605 -15.759 5.625 1.00 1.74 O ATOM 2010 CB ARG B 29 -18.847 -16.483 4.492 1.00 1.38 C ATOM 2011 CG ARG B 29 -18.448 -17.883 4.949 1.00 1.76 C ATOM 2012 CD ARG B 29 -19.238 -18.958 4.222 1.00 2.36 C ATOM 2013 NE ARG B 29 -20.676 -18.839 4.452 1.00 2.88 N ATOM 2014 CZ ARG B 29 -21.568 -19.714 3.999 1.00 3.58 C ATOM 2015 NH1 ARG B 29 -21.172 -20.762 3.289 1.00 3.91 N ATOM 2016 NH2 ARG B 29 -22.858 -19.544 4.256 1.00 4.30 N ATOM 0 H ARG B 29 -17.525 -14.044 3.424 1.00 1.15 H new ATOM 0 HA ARG B 29 -18.086 -15.233 6.036 1.00 1.06 H new ATOM 0 HB2 ARG B 29 -19.852 -16.265 4.854 1.00 1.38 H new ATOM 0 HB3 ARG B 29 -18.889 -16.464 3.403 1.00 1.38 H new ATOM 0 HG2 ARG B 29 -17.383 -18.033 4.774 1.00 1.76 H new ATOM 0 HG3 ARG B 29 -18.611 -17.975 6.023 1.00 1.76 H new ATOM 0 HD2 ARG B 29 -19.037 -18.894 3.153 1.00 2.36 H new ATOM 0 HD3 ARG B 29 -18.899 -19.940 4.551 1.00 2.36 H new ATOM 0 HE ARG B 29 -21.014 -18.041 4.990 1.00 2.88 H new ATOM 0 HH11 ARG B 29 -20.181 -20.898 3.090 1.00 3.91 H new ATOM 0 HH12 ARG B 29 -21.859 -21.432 2.942 1.00 3.91 H new ATOM 0 HH21 ARG B 29 -23.168 -18.740 4.802 1.00 4.30 H new ATOM 0 HH22 ARG B 29 -23.541 -20.217 3.907 1.00 4.30 H new ATOM 2030 N LYS B 30 -16.212 -16.182 3.494 1.00 1.05 N ATOM 2031 CA LYS B 30 -14.900 -16.575 3.024 1.00 1.49 C ATOM 2032 C LYS B 30 -14.733 -16.057 1.603 1.00 1.34 C ATOM 2033 O LYS B 30 -14.116 -16.703 0.758 1.00 1.66 O ATOM 2034 CB LYS B 30 -14.749 -18.096 3.059 1.00 2.04 C ATOM 2035 CG LYS B 30 -14.597 -18.664 4.460 1.00 2.66 C ATOM 2036 CD LYS B 30 -14.505 -20.181 4.440 1.00 3.51 C ATOM 2037 CE LYS B 30 -14.267 -20.744 5.832 1.00 4.01 C ATOM 2038 NZ LYS B 30 -12.988 -20.254 6.417 1.00 4.78 N ATOM 0 H LYS B 30 -16.935 -16.234 2.776 1.00 1.05 H new ATOM 0 HA LYS B 30 -14.131 -16.153 3.671 1.00 1.49 H new ATOM 0 HB2 LYS B 30 -15.620 -18.549 2.585 1.00 2.04 H new ATOM 0 HB3 LYS B 30 -13.880 -18.379 2.466 1.00 2.04 H new ATOM 0 HG2 LYS B 30 -13.703 -18.250 4.926 1.00 2.66 H new ATOM 0 HG3 LYS B 30 -15.446 -18.358 5.072 1.00 2.66 H new ATOM 0 HD2 LYS B 30 -15.426 -20.597 4.031 1.00 3.51 H new ATOM 0 HD3 LYS B 30 -13.695 -20.489 3.779 1.00 3.51 H new ATOM 0 HE2 LYS B 30 -15.095 -20.464 6.483 1.00 4.01 H new ATOM 0 HE3 LYS B 30 -14.252 -21.833 5.786 1.00 4.01 H new ATOM 0 HZ1 LYS B 30 -12.454 -21.057 6.807 1.00 4.78 H new ATOM 0 HZ2 LYS B 30 -12.423 -19.790 5.677 1.00 4.78 H new ATOM 0 HZ3 LYS B 30 -13.192 -19.573 7.176 1.00 4.78 H new ATOM 2052 N GLY B 31 -15.285 -14.870 1.359 1.00 0.96 N ATOM 2053 CA GLY B 31 -15.240 -14.287 0.038 1.00 0.88 C ATOM 2054 C GLY B 31 -14.696 -12.889 0.028 1.00 0.81 C ATOM 2055 O GLY B 31 -13.492 -12.721 0.055 1.00 0.85 O ATOM 0 H GLY B 31 -15.763 -14.304 2.059 1.00 0.96 H new ATOM 0 HA2 GLY B 31 -14.625 -14.914 -0.608 1.00 0.88 H new ATOM 0 HA3 GLY B 31 -16.245 -14.282 -0.385 1.00 0.88 H new ATOM 2059 N SER B 32 -15.547 -11.870 -0.061 1.00 0.74 N ATOM 2060 CA SER B 32 -15.004 -10.523 -0.103 1.00 0.71 C ATOM 2061 C SER B 32 -15.811 -9.419 0.558 1.00 0.70 C ATOM 2062 O SER B 32 -16.906 -9.609 1.088 1.00 0.75 O ATOM 2063 CB SER B 32 -14.714 -10.127 -1.540 1.00 0.69 C ATOM 2064 OG SER B 32 -15.537 -10.839 -2.447 1.00 1.09 O ATOM 0 H SER B 32 -16.563 -11.945 -0.103 1.00 0.74 H new ATOM 0 HA SER B 32 -14.103 -10.599 0.506 1.00 0.71 H new ATOM 0 HB2 SER B 32 -14.875 -9.056 -1.664 1.00 0.69 H new ATOM 0 HB3 SER B 32 -13.666 -10.320 -1.768 1.00 0.69 H new ATOM 0 HG SER B 32 -15.155 -11.727 -2.607 1.00 1.09 H new ATOM 2070 N LEU B 33 -15.182 -8.245 0.484 1.00 0.72 N ATOM 2071 CA LEU B 33 -15.713 -6.982 0.942 1.00 0.74 C ATOM 2072 C LEU B 33 -16.304 -6.323 -0.274 1.00 0.57 C ATOM 2073 O LEU B 33 -15.858 -6.601 -1.387 1.00 0.53 O ATOM 2074 CB LEU B 33 -14.597 -6.085 1.480 1.00 1.00 C ATOM 2075 CG LEU B 33 -14.946 -4.606 1.644 1.00 1.19 C ATOM 2076 CD1 LEU B 33 -14.260 -4.032 2.874 1.00 1.93 C ATOM 2077 CD2 LEU B 33 -14.544 -3.842 0.385 1.00 1.69 C ATOM 0 H LEU B 33 -14.248 -8.156 0.084 1.00 0.72 H new ATOM 0 HA LEU B 33 -16.439 -7.137 1.740 1.00 0.74 H new ATOM 0 HB2 LEU B 33 -14.281 -6.473 2.449 1.00 1.00 H new ATOM 0 HB3 LEU B 33 -13.740 -6.164 0.811 1.00 1.00 H new ATOM 0 HG LEU B 33 -16.022 -4.504 1.785 1.00 1.19 H new ATOM 0 HD11 LEU B 33 -14.519 -2.978 2.976 1.00 1.93 H new ATOM 0 HD12 LEU B 33 -14.589 -4.574 3.760 1.00 1.93 H new ATOM 0 HD13 LEU B 33 -13.180 -4.132 2.768 1.00 1.93 H new ATOM 0 HD21 LEU B 33 -14.794 -2.788 0.504 1.00 1.69 H new ATOM 0 HD22 LEU B 33 -13.471 -3.945 0.224 1.00 1.69 H new ATOM 0 HD23 LEU B 33 -15.080 -4.247 -0.473 1.00 1.69 H new ATOM 2089 N ASN B 34 -17.287 -5.462 -0.112 1.00 0.57 N ATOM 2090 CA ASN B 34 -17.883 -4.862 -1.268 1.00 0.47 C ATOM 2091 C ASN B 34 -17.697 -3.354 -1.255 1.00 0.41 C ATOM 2092 O ASN B 34 -16.565 -2.876 -1.243 1.00 0.56 O ATOM 2093 CB ASN B 34 -19.348 -5.310 -1.329 1.00 0.56 C ATOM 2094 CG ASN B 34 -19.989 -5.072 -2.682 1.00 1.38 C ATOM 2095 OD1 ASN B 34 -20.640 -4.052 -2.903 1.00 2.13 O ATOM 2096 ND2 ASN B 34 -19.805 -6.018 -3.596 1.00 2.12 N ATOM 0 H ASN B 34 -17.676 -5.173 0.786 1.00 0.57 H new ATOM 0 HA ASN B 34 -17.391 -5.194 -2.183 1.00 0.47 H new ATOM 0 HB2 ASN B 34 -19.407 -6.371 -1.088 1.00 0.56 H new ATOM 0 HB3 ASN B 34 -19.916 -4.778 -0.566 1.00 0.56 H new ATOM 0 HD21 ASN B 34 -20.211 -5.915 -4.526 1.00 2.12 H new ATOM 0 HD22 ASN B 34 -19.257 -6.848 -3.368 1.00 2.12 H new ATOM 2103 N ILE B 35 -18.780 -2.614 -1.353 1.00 0.53 N ATOM 2104 CA ILE B 35 -18.703 -1.172 -1.322 1.00 0.54 C ATOM 2105 C ILE B 35 -19.864 -0.565 -0.564 1.00 0.56 C ATOM 2106 O ILE B 35 -20.295 0.540 -0.864 1.00 0.63 O ATOM 2107 CB ILE B 35 -18.616 -0.541 -2.715 1.00 0.60 C ATOM 2108 CG1 ILE B 35 -19.505 -1.278 -3.728 1.00 0.70 C ATOM 2109 CG2 ILE B 35 -17.164 -0.493 -3.162 1.00 0.66 C ATOM 2110 CD1 ILE B 35 -18.905 -2.547 -4.290 1.00 1.04 C ATOM 0 H ILE B 35 -19.723 -2.988 -1.455 1.00 0.53 H new ATOM 0 HA ILE B 35 -17.774 -0.946 -0.799 1.00 0.54 H new ATOM 0 HB ILE B 35 -18.995 0.480 -2.663 1.00 0.60 H new ATOM 0 HG12 ILE B 35 -20.453 -1.522 -3.249 1.00 0.70 H new ATOM 0 HG13 ILE B 35 -19.729 -0.602 -4.553 1.00 0.70 H new ATOM 0 HG21 ILE B 35 -17.103 -0.044 -4.153 1.00 0.66 H new ATOM 0 HG22 ILE B 35 -16.586 0.104 -2.457 1.00 0.66 H new ATOM 0 HG23 ILE B 35 -16.760 -1.505 -3.197 1.00 0.66 H new ATOM 0 HD11 ILE B 35 -19.603 -2.998 -4.995 1.00 1.04 H new ATOM 0 HD12 ILE B 35 -17.972 -2.312 -4.802 1.00 1.04 H new ATOM 0 HD13 ILE B 35 -18.707 -3.247 -3.478 1.00 1.04 H new ATOM 2122 N ASN B 36 -20.374 -1.296 0.415 1.00 0.59 N ATOM 2123 CA ASN B 36 -21.469 -0.795 1.226 1.00 0.63 C ATOM 2124 C ASN B 36 -20.911 0.126 2.278 1.00 0.59 C ATOM 2125 O ASN B 36 -21.221 1.317 2.296 1.00 0.59 O ATOM 2126 CB ASN B 36 -22.253 -1.936 1.872 1.00 0.70 C ATOM 2127 CG ASN B 36 -23.446 -1.434 2.664 1.00 1.34 C ATOM 2128 OD1 ASN B 36 -23.207 -1.041 3.910 1.00 2.16 O flip ATOM 2129 ND2 ASN B 36 -24.567 -1.390 2.158 1.00 1.90 N flip ATOM 0 H ASN B 36 -20.050 -2.230 0.665 1.00 0.59 H new ATOM 0 HA ASN B 36 -22.163 -0.250 0.587 1.00 0.63 H new ATOM 0 HB2 ASN B 36 -22.596 -2.623 1.098 1.00 0.70 H new ATOM 0 HB3 ASN B 36 -21.593 -2.501 2.531 1.00 0.70 H new ATOM 0 HD21 ASN B 36 -24.705 -1.702 1.197 1.00 1.90 H new ATOM 0 HD22 ASN B 36 -25.358 -1.041 2.700 1.00 1.90 H new ATOM 2136 N GLU B 37 -20.086 -0.414 3.164 1.00 0.58 N ATOM 2137 CA GLU B 37 -19.484 0.436 4.171 1.00 0.56 C ATOM 2138 C GLU B 37 -18.429 1.313 3.527 1.00 0.50 C ATOM 2139 O GLU B 37 -18.077 2.354 4.070 1.00 0.53 O ATOM 2140 CB GLU B 37 -18.914 -0.352 5.328 1.00 0.68 C ATOM 2141 CG GLU B 37 -19.742 -1.576 5.661 1.00 0.76 C ATOM 2142 CD GLU B 37 -19.502 -2.097 7.065 1.00 0.77 C ATOM 2143 OE1 GLU B 37 -19.959 -1.443 8.026 1.00 1.28 O ATOM 2144 OE2 GLU B 37 -18.861 -3.160 7.202 1.00 1.41 O ATOM 0 H GLU B 37 -19.827 -1.400 3.205 1.00 0.58 H new ATOM 0 HA GLU B 37 -20.267 1.066 4.593 1.00 0.56 H new ATOM 0 HB2 GLU B 37 -17.897 -0.660 5.087 1.00 0.68 H new ATOM 0 HB3 GLU B 37 -18.853 0.291 6.206 1.00 0.68 H new ATOM 0 HG2 GLU B 37 -20.799 -1.334 5.546 1.00 0.76 H new ATOM 0 HG3 GLU B 37 -19.516 -2.365 4.944 1.00 0.76 H new ATOM 2151 N PHE B 38 -17.900 0.895 2.363 1.00 0.47 N ATOM 2152 CA PHE B 38 -16.963 1.730 1.622 1.00 0.43 C ATOM 2153 C PHE B 38 -17.603 3.115 1.508 1.00 0.45 C ATOM 2154 O PHE B 38 -16.947 4.146 1.597 1.00 0.46 O ATOM 2155 CB PHE B 38 -16.735 1.112 0.229 1.00 0.43 C ATOM 2156 CG PHE B 38 -15.569 1.648 -0.563 1.00 0.41 C ATOM 2157 CD1 PHE B 38 -15.339 3.006 -0.696 1.00 1.30 C ATOM 2158 CD2 PHE B 38 -14.702 0.766 -1.190 1.00 1.21 C ATOM 2159 CE1 PHE B 38 -14.266 3.474 -1.432 1.00 1.32 C ATOM 2160 CE2 PHE B 38 -13.629 1.226 -1.927 1.00 1.21 C ATOM 2161 CZ PHE B 38 -13.409 2.583 -2.048 1.00 0.46 C ATOM 0 H PHE B 38 -18.107 -0.004 1.928 1.00 0.47 H new ATOM 0 HA PHE B 38 -15.996 1.803 2.120 1.00 0.43 H new ATOM 0 HB2 PHE B 38 -16.599 0.037 0.351 1.00 0.43 H new ATOM 0 HB3 PHE B 38 -17.641 1.254 -0.360 1.00 0.43 H new ATOM 0 HD1 PHE B 38 -16.006 3.709 -0.219 1.00 1.30 H new ATOM 0 HD2 PHE B 38 -14.869 -0.297 -1.100 1.00 1.21 H new ATOM 0 HE1 PHE B 38 -14.098 4.537 -1.525 1.00 1.32 H new ATOM 0 HE2 PHE B 38 -12.963 0.525 -2.408 1.00 1.21 H new ATOM 0 HZ PHE B 38 -12.570 2.947 -2.622 1.00 0.46 H new ATOM 2171 N LYS B 39 -18.935 3.094 1.404 1.00 0.49 N ATOM 2172 CA LYS B 39 -19.729 4.311 1.300 1.00 0.53 C ATOM 2173 C LYS B 39 -19.500 5.221 2.493 1.00 0.54 C ATOM 2174 O LYS B 39 -19.801 6.412 2.454 1.00 0.58 O ATOM 2175 CB LYS B 39 -21.208 3.959 1.182 1.00 0.62 C ATOM 2176 CG LYS B 39 -21.473 2.950 0.098 1.00 0.68 C ATOM 2177 CD LYS B 39 -22.143 3.582 -1.111 1.00 0.70 C ATOM 2178 CE LYS B 39 -23.539 4.077 -0.775 1.00 1.49 C ATOM 2179 NZ LYS B 39 -24.419 2.975 -0.295 1.00 1.82 N ATOM 0 H LYS B 39 -19.486 2.236 1.390 1.00 0.49 H new ATOM 0 HA LYS B 39 -19.414 4.847 0.404 1.00 0.53 H new ATOM 0 HB2 LYS B 39 -21.562 3.566 2.135 1.00 0.62 H new ATOM 0 HB3 LYS B 39 -21.779 4.865 0.979 1.00 0.62 H new ATOM 0 HG2 LYS B 39 -20.533 2.489 -0.207 1.00 0.68 H new ATOM 0 HG3 LYS B 39 -22.106 2.154 0.490 1.00 0.68 H new ATOM 0 HD2 LYS B 39 -21.537 4.414 -1.471 1.00 0.70 H new ATOM 0 HD3 LYS B 39 -22.198 2.854 -1.920 1.00 0.70 H new ATOM 0 HE2 LYS B 39 -23.475 4.850 -0.009 1.00 1.49 H new ATOM 0 HE3 LYS B 39 -23.983 4.538 -1.657 1.00 1.49 H new ATOM 0 HZ1 LYS B 39 -25.413 3.275 -0.351 1.00 1.82 H new ATOM 0 HZ2 LYS B 39 -24.278 2.134 -0.890 1.00 1.82 H new ATOM 0 HZ3 LYS B 39 -24.181 2.746 0.691 1.00 1.82 H new ATOM 2193 N GLU B 40 -18.992 4.639 3.563 1.00 0.53 N ATOM 2194 CA GLU B 40 -18.677 5.377 4.762 1.00 0.57 C ATOM 2195 C GLU B 40 -17.311 6.055 4.596 1.00 0.55 C ATOM 2196 O GLU B 40 -16.837 6.739 5.503 1.00 0.61 O ATOM 2197 CB GLU B 40 -18.693 4.431 5.984 1.00 0.61 C ATOM 2198 CG GLU B 40 -17.346 3.800 6.331 1.00 1.09 C ATOM 2199 CD GLU B 40 -17.482 2.583 7.221 1.00 1.91 C ATOM 2200 OE1 GLU B 40 -17.931 2.738 8.376 1.00 2.42 O ATOM 2201 OE2 GLU B 40 -17.137 1.472 6.765 1.00 2.62 O ATOM 0 H GLU B 40 -18.788 3.641 3.621 1.00 0.53 H new ATOM 0 HA GLU B 40 -19.427 6.150 4.930 1.00 0.57 H new ATOM 0 HB2 GLU B 40 -19.050 4.988 6.850 1.00 0.61 H new ATOM 0 HB3 GLU B 40 -19.413 3.634 5.798 1.00 0.61 H new ATOM 0 HG2 GLU B 40 -16.835 3.517 5.411 1.00 1.09 H new ATOM 0 HG3 GLU B 40 -16.720 4.541 6.829 1.00 1.09 H new ATOM 2208 N LEU B 41 -16.682 5.862 3.426 1.00 0.50 N ATOM 2209 CA LEU B 41 -15.386 6.423 3.165 1.00 0.50 C ATOM 2210 C LEU B 41 -15.504 7.869 2.756 1.00 0.55 C ATOM 2211 O LEU B 41 -15.511 8.748 3.618 1.00 0.63 O ATOM 2212 CB LEU B 41 -14.663 5.616 2.081 1.00 0.46 C ATOM 2213 CG LEU B 41 -14.396 4.139 2.375 1.00 0.44 C ATOM 2214 CD1 LEU B 41 -12.903 3.855 2.302 1.00 0.55 C ATOM 2215 CD2 LEU B 41 -14.957 3.699 3.728 1.00 0.66 C ATOM 0 H LEU B 41 -17.068 5.317 2.655 1.00 0.50 H new ATOM 0 HA LEU B 41 -14.800 6.374 4.083 1.00 0.50 H new ATOM 0 HB2 LEU B 41 -15.250 5.678 1.165 1.00 0.46 H new ATOM 0 HB3 LEU B 41 -13.707 6.099 1.880 1.00 0.46 H new ATOM 0 HG LEU B 41 -14.916 3.558 1.613 1.00 0.44 H new ATOM 0 HD11 LEU B 41 -12.722 2.801 2.513 1.00 0.55 H new ATOM 0 HD12 LEU B 41 -12.536 4.094 1.304 1.00 0.55 H new ATOM 0 HD13 LEU B 41 -12.380 4.467 3.037 1.00 0.55 H new ATOM 0 HD21 LEU B 41 -14.740 2.643 3.886 1.00 0.66 H new ATOM 0 HD22 LEU B 41 -14.496 4.287 4.522 1.00 0.66 H new ATOM 0 HD23 LEU B 41 -16.036 3.853 3.742 1.00 0.66 H new ATOM 2227 N ALA B 42 -15.623 8.120 1.438 1.00 0.55 N ATOM 2228 CA ALA B 42 -15.703 9.491 0.916 1.00 0.62 C ATOM 2229 C ALA B 42 -16.558 10.336 1.824 1.00 0.68 C ATOM 2230 O ALA B 42 -16.277 11.495 2.075 1.00 0.76 O ATOM 2231 CB ALA B 42 -16.258 9.506 -0.484 1.00 0.65 C ATOM 0 H ALA B 42 -15.665 7.394 0.722 1.00 0.55 H new ATOM 0 HA ALA B 42 -14.695 9.905 0.883 1.00 0.62 H new ATOM 0 HB1 ALA B 42 -16.306 10.533 -0.845 1.00 0.65 H new ATOM 0 HB2 ALA B 42 -15.611 8.921 -1.138 1.00 0.65 H new ATOM 0 HB3 ALA B 42 -17.259 9.074 -0.483 1.00 0.65 H new ATOM 2237 N THR B 43 -17.583 9.697 2.343 1.00 0.65 N ATOM 2238 CA THR B 43 -18.498 10.335 3.259 1.00 0.73 C ATOM 2239 C THR B 43 -17.744 10.931 4.446 1.00 0.78 C ATOM 2240 O THR B 43 -17.805 12.135 4.698 1.00 0.85 O ATOM 2241 CB THR B 43 -19.549 9.343 3.766 1.00 0.73 C ATOM 2242 OG1 THR B 43 -18.945 8.067 4.003 1.00 0.66 O ATOM 2243 CG2 THR B 43 -20.667 9.201 2.751 1.00 0.76 C ATOM 0 H THR B 43 -17.804 8.722 2.141 1.00 0.65 H new ATOM 0 HA THR B 43 -19.003 11.135 2.717 1.00 0.73 H new ATOM 0 HB THR B 43 -19.964 9.721 4.700 1.00 0.73 H new ATOM 0 HG1 THR B 43 -18.900 7.565 3.163 1.00 0.66 H new ATOM 0 HG21 THR B 43 -21.408 8.493 3.123 1.00 0.76 H new ATOM 0 HG22 THR B 43 -21.139 10.170 2.592 1.00 0.76 H new ATOM 0 HG23 THR B 43 -20.258 8.837 1.808 1.00 0.76 H new ATOM 2251 N GLN B 44 -17.030 10.070 5.171 1.00 0.76 N ATOM 2252 CA GLN B 44 -16.251 10.488 6.335 1.00 0.84 C ATOM 2253 C GLN B 44 -14.904 11.081 5.923 1.00 0.83 C ATOM 2254 O GLN B 44 -14.496 12.121 6.440 1.00 0.92 O ATOM 2255 CB GLN B 44 -16.051 9.303 7.282 1.00 0.87 C ATOM 2256 CG GLN B 44 -17.334 8.857 7.967 1.00 1.54 C ATOM 2257 CD GLN B 44 -17.127 7.665 8.882 1.00 2.04 C ATOM 2258 OE1 GLN B 44 -16.251 6.832 8.647 1.00 2.53 O ATOM 2259 NE2 GLN B 44 -17.938 7.575 9.931 1.00 2.74 N ATOM 0 H GLN B 44 -16.976 9.071 4.970 1.00 0.76 H new ATOM 0 HA GLN B 44 -16.807 11.269 6.854 1.00 0.84 H new ATOM 0 HB2 GLN B 44 -15.636 8.465 6.722 1.00 0.87 H new ATOM 0 HB3 GLN B 44 -15.317 9.573 8.041 1.00 0.87 H new ATOM 0 HG2 GLN B 44 -17.739 9.687 8.545 1.00 1.54 H new ATOM 0 HG3 GLN B 44 -18.076 8.604 7.210 1.00 1.54 H new ATOM 0 HE21 GLN B 44 -18.650 8.288 10.088 1.00 2.74 H new ATOM 0 HE22 GLN B 44 -17.848 6.793 10.580 1.00 2.74 H new ATOM 2268 N GLN B 45 -14.207 10.412 5.006 1.00 0.79 N ATOM 2269 CA GLN B 45 -12.926 10.888 4.518 1.00 0.82 C ATOM 2270 C GLN B 45 -13.103 12.110 3.624 1.00 0.78 C ATOM 2271 O GLN B 45 -12.120 12.750 3.273 1.00 0.79 O ATOM 2272 CB GLN B 45 -12.238 9.757 3.768 1.00 0.93 C ATOM 2273 CG GLN B 45 -13.015 9.266 2.570 1.00 0.95 C ATOM 2274 CD GLN B 45 -12.337 9.531 1.243 1.00 1.37 C ATOM 2275 OE1 GLN B 45 -11.442 8.633 0.843 1.00 2.35 O flip ATOM 2276 NE2 GLN B 45 -12.628 10.523 0.577 1.00 1.45 N flip ATOM 0 H GLN B 45 -14.515 9.534 4.588 1.00 0.79 H new ATOM 0 HA GLN B 45 -12.306 11.194 5.361 1.00 0.82 H new ATOM 0 HB2 GLN B 45 -11.255 10.095 3.440 1.00 0.93 H new ATOM 0 HB3 GLN B 45 -12.076 8.924 4.452 1.00 0.93 H new ATOM 0 HG2 GLN B 45 -13.182 8.194 2.673 1.00 0.95 H new ATOM 0 HG3 GLN B 45 -13.996 9.742 2.566 1.00 0.95 H new ATOM 0 HE21 GLN B 45 -13.321 11.185 0.925 1.00 1.45 H new ATOM 0 HE22 GLN B 45 -12.176 10.683 -0.323 1.00 1.45 H new ATOM 2285 N LEU B 46 -14.369 12.474 3.318 1.00 0.78 N ATOM 2286 CA LEU B 46 -14.681 13.622 2.454 1.00 0.78 C ATOM 2287 C LEU B 46 -13.692 14.743 2.718 1.00 0.74 C ATOM 2288 O LEU B 46 -12.953 15.131 1.817 1.00 0.75 O ATOM 2289 CB LEU B 46 -16.121 14.120 2.686 1.00 0.83 C ATOM 2290 CG LEU B 46 -17.069 14.064 1.477 1.00 1.04 C ATOM 2291 CD1 LEU B 46 -18.332 14.864 1.758 1.00 1.25 C ATOM 2292 CD2 LEU B 46 -16.380 14.587 0.229 1.00 1.30 C ATOM 0 H LEU B 46 -15.193 11.981 3.663 1.00 0.78 H new ATOM 0 HA LEU B 46 -14.601 13.302 1.415 1.00 0.78 H new ATOM 0 HB2 LEU B 46 -16.560 13.531 3.491 1.00 0.83 H new ATOM 0 HB3 LEU B 46 -16.073 15.152 3.035 1.00 0.83 H new ATOM 0 HG LEU B 46 -17.345 13.023 1.306 1.00 1.04 H new ATOM 0 HD11 LEU B 46 -18.994 14.815 0.893 1.00 1.25 H new ATOM 0 HD12 LEU B 46 -18.840 14.448 2.628 1.00 1.25 H new ATOM 0 HD13 LEU B 46 -18.068 15.903 1.955 1.00 1.25 H new ATOM 0 HD21 LEU B 46 -17.069 14.538 -0.614 1.00 1.30 H new ATOM 0 HD22 LEU B 46 -16.074 15.621 0.388 1.00 1.30 H new ATOM 0 HD23 LEU B 46 -15.502 13.978 0.016 1.00 1.30 H new ATOM 2304 N PRO B 47 -13.676 15.320 3.930 1.00 0.78 N ATOM 2305 CA PRO B 47 -12.699 16.324 4.239 1.00 0.80 C ATOM 2306 C PRO B 47 -11.468 15.719 4.868 1.00 0.77 C ATOM 2307 O PRO B 47 -11.414 15.492 6.076 1.00 0.82 O ATOM 2308 CB PRO B 47 -13.430 17.157 5.265 1.00 0.91 C ATOM 2309 CG PRO B 47 -14.255 16.159 6.026 1.00 0.95 C ATOM 2310 CD PRO B 47 -14.500 14.992 5.090 1.00 0.90 C ATOM 0 HA PRO B 47 -12.351 16.871 3.362 1.00 0.80 H new ATOM 0 HB2 PRO B 47 -12.735 17.682 5.920 1.00 0.91 H new ATOM 0 HB3 PRO B 47 -14.056 17.914 4.792 1.00 0.91 H new ATOM 0 HG2 PRO B 47 -13.733 15.831 6.925 1.00 0.95 H new ATOM 0 HG3 PRO B 47 -15.198 16.601 6.348 1.00 0.95 H new ATOM 0 HD2 PRO B 47 -14.203 14.045 5.540 1.00 0.90 H new ATOM 0 HD3 PRO B 47 -15.553 14.903 4.824 1.00 0.90 H new ATOM 2318 N HIS B 48 -10.498 15.454 4.048 1.00 0.73 N ATOM 2319 CA HIS B 48 -9.229 14.957 4.500 1.00 0.75 C ATOM 2320 C HIS B 48 -8.232 16.098 4.578 1.00 0.83 C ATOM 2321 O HIS B 48 -8.619 17.255 4.741 1.00 0.91 O ATOM 2322 CB HIS B 48 -8.807 13.841 3.582 1.00 0.73 C ATOM 2323 CG HIS B 48 -8.502 12.579 4.326 1.00 0.98 C ATOM 2324 ND1 HIS B 48 -9.307 11.553 4.688 1.00 1.86 N flip ATOM 2325 CD2 HIS B 48 -7.254 12.280 4.832 1.00 1.34 C flip ATOM 2326 CE1 HIS B 48 -8.542 10.665 5.401 1.00 2.02 C flip ATOM 2327 NE2 HIS B 48 -7.308 11.126 5.474 1.00 1.59 N flip ATOM 0 H HIS B 48 -10.562 15.577 3.037 1.00 0.73 H new ATOM 0 HA HIS B 48 -9.291 14.545 5.507 1.00 0.75 H new ATOM 0 HB2 HIS B 48 -9.599 13.651 2.857 1.00 0.73 H new ATOM 0 HB3 HIS B 48 -7.926 14.150 3.019 1.00 0.73 H new ATOM 0 HD1 HIS B 48 -10.299 11.458 4.471 1.00 1.86 H new ATOM 0 HD2 HIS B 48 -6.372 12.893 4.721 1.00 1.34 H new ATOM 0 HE1 HIS B 48 -8.893 9.739 5.832 1.00 2.02 H new ATOM 2336 N LEU B 49 -6.951 15.781 4.462 1.00 0.89 N ATOM 2337 CA LEU B 49 -5.940 16.818 4.434 1.00 1.00 C ATOM 2338 C LEU B 49 -5.894 17.370 3.006 1.00 0.98 C ATOM 2339 O LEU B 49 -6.558 18.359 2.699 1.00 1.02 O ATOM 2340 CB LEU B 49 -4.576 16.281 4.894 1.00 1.10 C ATOM 2341 CG LEU B 49 -3.458 17.325 5.002 1.00 1.62 C ATOM 2342 CD1 LEU B 49 -3.055 17.841 3.629 1.00 2.02 C ATOM 2343 CD2 LEU B 49 -3.895 18.476 5.895 1.00 2.44 C ATOM 0 H LEU B 49 -6.594 14.828 4.387 1.00 0.89 H new ATOM 0 HA LEU B 49 -6.190 17.618 5.131 1.00 1.00 H new ATOM 0 HB2 LEU B 49 -4.701 15.806 5.867 1.00 1.10 H new ATOM 0 HB3 LEU B 49 -4.258 15.504 4.199 1.00 1.10 H new ATOM 0 HG LEU B 49 -2.588 16.844 5.449 1.00 1.62 H new ATOM 0 HD11 LEU B 49 -2.261 18.580 3.737 1.00 2.02 H new ATOM 0 HD12 LEU B 49 -2.699 17.011 3.019 1.00 2.02 H new ATOM 0 HD13 LEU B 49 -3.917 18.302 3.146 1.00 2.02 H new ATOM 0 HD21 LEU B 49 -3.092 19.209 5.963 1.00 2.44 H new ATOM 0 HD22 LEU B 49 -4.782 18.948 5.473 1.00 2.44 H new ATOM 0 HD23 LEU B 49 -4.125 18.097 6.891 1.00 2.44 H new ATOM 2355 N LEU B 50 -5.112 16.731 2.138 1.00 0.98 N ATOM 2356 CA LEU B 50 -5.039 17.122 0.731 1.00 1.01 C ATOM 2357 C LEU B 50 -6.157 16.421 -0.043 1.00 0.92 C ATOM 2358 O LEU B 50 -5.918 15.832 -1.096 1.00 1.01 O ATOM 2359 CB LEU B 50 -3.677 16.758 0.136 1.00 1.11 C ATOM 2360 CG LEU B 50 -3.437 17.265 -1.288 1.00 1.60 C ATOM 2361 CD1 LEU B 50 -3.461 18.785 -1.323 1.00 1.97 C ATOM 2362 CD2 LEU B 50 -2.114 16.739 -1.826 1.00 2.24 C ATOM 0 H LEU B 50 -4.519 15.939 2.385 1.00 0.98 H new ATOM 0 HA LEU B 50 -5.162 18.202 0.655 1.00 1.01 H new ATOM 0 HB2 LEU B 50 -2.896 17.156 0.784 1.00 1.11 H new ATOM 0 HB3 LEU B 50 -3.573 15.673 0.142 1.00 1.11 H new ATOM 0 HG LEU B 50 -4.239 16.893 -1.926 1.00 1.60 H new ATOM 0 HD11 LEU B 50 -3.289 19.128 -2.343 1.00 1.97 H new ATOM 0 HD12 LEU B 50 -4.432 19.142 -0.979 1.00 1.97 H new ATOM 0 HD13 LEU B 50 -2.680 19.176 -0.672 1.00 1.97 H new ATOM 0 HD21 LEU B 50 -1.960 17.110 -2.839 1.00 2.24 H new ATOM 0 HD22 LEU B 50 -1.300 17.081 -1.187 1.00 2.24 H new ATOM 0 HD23 LEU B 50 -2.133 15.649 -1.837 1.00 2.24 H new ATOM 2374 N LYS B 51 -7.375 16.487 0.482 1.00 0.85 N ATOM 2375 CA LYS B 51 -8.507 15.818 -0.117 1.00 0.80 C ATOM 2376 C LYS B 51 -9.080 16.596 -1.288 1.00 0.89 C ATOM 2377 O LYS B 51 -8.672 17.723 -1.570 1.00 1.04 O ATOM 2378 CB LYS B 51 -9.569 15.639 0.957 1.00 0.95 C ATOM 2379 CG LYS B 51 -10.455 14.413 0.787 1.00 1.24 C ATOM 2380 CD LYS B 51 -9.628 13.172 0.525 1.00 2.12 C ATOM 2381 CE LYS B 51 -10.387 11.911 0.885 1.00 2.68 C ATOM 2382 NZ LYS B 51 -9.502 10.897 1.522 1.00 3.58 N ATOM 0 H LYS B 51 -7.598 17.005 1.332 1.00 0.85 H new ATOM 0 HA LYS B 51 -8.179 14.855 -0.509 1.00 0.80 H new ATOM 0 HB2 LYS B 51 -9.077 15.581 1.928 1.00 0.95 H new ATOM 0 HB3 LYS B 51 -10.202 16.527 0.973 1.00 0.95 H new ATOM 0 HG2 LYS B 51 -11.057 14.269 1.684 1.00 1.24 H new ATOM 0 HG3 LYS B 51 -11.147 14.573 -0.040 1.00 1.24 H new ATOM 0 HD2 LYS B 51 -9.344 13.139 -0.527 1.00 2.12 H new ATOM 0 HD3 LYS B 51 -8.705 13.220 1.103 1.00 2.12 H new ATOM 0 HE2 LYS B 51 -11.203 12.159 1.564 1.00 2.68 H new ATOM 0 HE3 LYS B 51 -10.837 11.488 -0.013 1.00 2.68 H new ATOM 0 HZ1 LYS B 51 -9.769 9.947 1.193 1.00 3.58 H new ATOM 0 HZ2 LYS B 51 -8.513 11.088 1.263 1.00 3.58 H new ATOM 0 HZ3 LYS B 51 -9.605 10.947 2.556 1.00 3.58 H new ATOM 2396 N ASP B 52 -10.035 15.974 -1.959 1.00 0.92 N ATOM 2397 CA ASP B 52 -10.698 16.579 -3.098 1.00 1.17 C ATOM 2398 C ASP B 52 -12.214 16.594 -2.899 1.00 1.24 C ATOM 2399 O ASP B 52 -12.961 16.914 -3.824 1.00 1.47 O ATOM 2400 CB ASP B 52 -10.338 15.816 -4.377 1.00 1.29 C ATOM 2401 CG ASP B 52 -11.045 16.364 -5.600 1.00 1.87 C ATOM 2402 OD1 ASP B 52 -10.494 17.283 -6.243 1.00 2.35 O ATOM 2403 OD2 ASP B 52 -12.151 15.876 -5.915 1.00 2.61 O ATOM 0 H ASP B 52 -10.370 15.039 -1.729 1.00 0.92 H new ATOM 0 HA ASP B 52 -10.357 17.610 -3.190 1.00 1.17 H new ATOM 0 HB2 ASP B 52 -9.260 15.863 -4.533 1.00 1.29 H new ATOM 0 HB3 ASP B 52 -10.596 14.764 -4.253 1.00 1.29 H new ATOM 2408 N VAL B 53 -12.674 16.252 -1.689 1.00 1.14 N ATOM 2409 CA VAL B 53 -14.098 16.243 -1.409 1.00 1.27 C ATOM 2410 C VAL B 53 -14.842 15.372 -2.419 1.00 1.24 C ATOM 2411 O VAL B 53 -15.432 15.865 -3.380 1.00 1.46 O ATOM 2412 CB VAL B 53 -14.659 17.675 -1.424 1.00 1.58 C ATOM 2413 CG1 VAL B 53 -16.176 17.685 -1.273 1.00 2.18 C ATOM 2414 CG2 VAL B 53 -14.007 18.510 -0.332 1.00 1.92 C ATOM 0 H VAL B 53 -12.082 15.983 -0.903 1.00 1.14 H new ATOM 0 HA VAL B 53 -14.247 15.821 -0.415 1.00 1.27 H new ATOM 0 HB VAL B 53 -14.423 18.115 -2.393 1.00 1.58 H new ATOM 0 HG11 VAL B 53 -16.536 18.714 -1.288 1.00 2.18 H new ATOM 0 HG12 VAL B 53 -16.627 17.130 -2.096 1.00 2.18 H new ATOM 0 HG13 VAL B 53 -16.451 17.218 -0.327 1.00 2.18 H new ATOM 0 HG21 VAL B 53 -14.414 19.521 -0.355 1.00 1.92 H new ATOM 0 HG22 VAL B 53 -14.209 18.060 0.640 1.00 1.92 H new ATOM 0 HG23 VAL B 53 -12.930 18.549 -0.497 1.00 1.92 H new ATOM 2424 N GLY B 54 -14.773 14.069 -2.194 1.00 1.06 N ATOM 2425 CA GLY B 54 -15.421 13.106 -3.058 1.00 1.09 C ATOM 2426 C GLY B 54 -16.828 13.481 -3.443 1.00 1.13 C ATOM 2427 O GLY B 54 -17.693 13.679 -2.590 1.00 1.23 O ATOM 0 H GLY B 54 -14.268 13.655 -1.410 1.00 1.06 H new ATOM 0 HA2 GLY B 54 -14.826 12.987 -3.964 1.00 1.09 H new ATOM 0 HA3 GLY B 54 -15.437 12.137 -2.558 1.00 1.09 H new ATOM 2431 N SER B 55 -17.042 13.607 -4.740 1.00 1.16 N ATOM 2432 CA SER B 55 -18.348 13.918 -5.275 1.00 1.24 C ATOM 2433 C SER B 55 -19.175 12.641 -5.341 1.00 1.10 C ATOM 2434 O SER B 55 -18.686 11.603 -5.786 1.00 1.09 O ATOM 2435 CB SER B 55 -18.186 14.541 -6.651 1.00 1.40 C ATOM 2436 OG SER B 55 -19.340 15.274 -7.026 1.00 1.62 O ATOM 0 H SER B 55 -16.316 13.496 -5.447 1.00 1.16 H new ATOM 0 HA SER B 55 -18.866 14.631 -4.634 1.00 1.24 H new ATOM 0 HB2 SER B 55 -17.318 15.200 -6.654 1.00 1.40 H new ATOM 0 HB3 SER B 55 -17.995 13.759 -7.386 1.00 1.40 H new ATOM 0 HG SER B 55 -19.887 14.735 -7.635 1.00 1.62 H new ATOM 2442 N LEU B 56 -20.424 12.714 -4.895 1.00 1.15 N ATOM 2443 CA LEU B 56 -21.307 11.547 -4.877 1.00 1.10 C ATOM 2444 C LEU B 56 -21.161 10.690 -6.133 1.00 0.98 C ATOM 2445 O LEU B 56 -21.108 9.464 -6.052 1.00 0.97 O ATOM 2446 CB LEU B 56 -22.763 11.988 -4.704 1.00 1.28 C ATOM 2447 CG LEU B 56 -23.778 10.853 -4.581 1.00 2.03 C ATOM 2448 CD1 LEU B 56 -23.530 10.053 -3.311 1.00 2.61 C ATOM 2449 CD2 LEU B 56 -25.196 11.402 -4.600 1.00 2.83 C ATOM 0 H LEU B 56 -20.851 13.569 -4.540 1.00 1.15 H new ATOM 0 HA LEU B 56 -21.011 10.930 -4.028 1.00 1.10 H new ATOM 0 HB2 LEU B 56 -22.833 12.614 -3.814 1.00 1.28 H new ATOM 0 HB3 LEU B 56 -23.040 12.611 -5.554 1.00 1.28 H new ATOM 0 HG LEU B 56 -23.657 10.187 -5.435 1.00 2.03 H new ATOM 0 HD11 LEU B 56 -24.262 9.248 -3.239 1.00 2.61 H new ATOM 0 HD12 LEU B 56 -22.526 9.629 -3.338 1.00 2.61 H new ATOM 0 HD13 LEU B 56 -23.624 10.708 -2.444 1.00 2.61 H new ATOM 0 HD21 LEU B 56 -25.906 10.580 -4.511 1.00 2.83 H new ATOM 0 HD22 LEU B 56 -25.331 12.090 -3.765 1.00 2.83 H new ATOM 0 HD23 LEU B 56 -25.369 11.931 -5.537 1.00 2.83 H new ATOM 2461 N ASP B 57 -21.096 11.336 -7.289 1.00 1.00 N ATOM 2462 CA ASP B 57 -20.942 10.618 -8.549 1.00 1.01 C ATOM 2463 C ASP B 57 -19.751 9.700 -8.491 1.00 0.95 C ATOM 2464 O ASP B 57 -19.853 8.486 -8.657 1.00 0.97 O ATOM 2465 CB ASP B 57 -20.715 11.589 -9.680 1.00 1.15 C ATOM 2466 CG ASP B 57 -21.705 12.737 -9.670 1.00 1.69 C ATOM 2467 OD1 ASP B 57 -22.808 12.574 -10.235 1.00 2.19 O ATOM 2468 OD2 ASP B 57 -21.381 13.798 -9.097 1.00 2.48 O ATOM 0 H ASP B 57 -21.147 12.350 -7.382 1.00 1.00 H new ATOM 0 HA ASP B 57 -21.854 10.044 -8.715 1.00 1.01 H new ATOM 0 HB2 ASP B 57 -19.702 11.987 -9.615 1.00 1.15 H new ATOM 0 HB3 ASP B 57 -20.789 11.059 -10.630 1.00 1.15 H new ATOM 2473 N GLU B 58 -18.616 10.314 -8.260 1.00 0.94 N ATOM 2474 CA GLU B 58 -17.358 9.600 -8.161 1.00 0.95 C ATOM 2475 C GLU B 58 -17.512 8.510 -7.129 1.00 0.87 C ATOM 2476 O GLU B 58 -17.095 7.369 -7.328 1.00 0.90 O ATOM 2477 CB GLU B 58 -16.231 10.549 -7.751 1.00 0.98 C ATOM 2478 CG GLU B 58 -14.880 10.159 -8.331 1.00 1.44 C ATOM 2479 CD GLU B 58 -13.769 11.114 -7.943 1.00 1.80 C ATOM 2480 OE1 GLU B 58 -13.875 12.314 -8.273 1.00 2.42 O ATOM 2481 OE2 GLU B 58 -12.792 10.662 -7.312 1.00 2.29 O ATOM 0 H GLU B 58 -18.534 11.323 -8.135 1.00 0.94 H new ATOM 0 HA GLU B 58 -17.103 9.172 -9.130 1.00 0.95 H new ATOM 0 HB2 GLU B 58 -16.480 11.560 -8.074 1.00 0.98 H new ATOM 0 HB3 GLU B 58 -16.160 10.570 -6.664 1.00 0.98 H new ATOM 0 HG2 GLU B 58 -14.622 9.155 -7.994 1.00 1.44 H new ATOM 0 HG3 GLU B 58 -14.955 10.121 -9.418 1.00 1.44 H new ATOM 2488 N LYS B 59 -18.149 8.887 -6.033 1.00 0.81 N ATOM 2489 CA LYS B 59 -18.405 7.977 -4.946 1.00 0.76 C ATOM 2490 C LYS B 59 -19.354 6.866 -5.380 1.00 0.80 C ATOM 2491 O LYS B 59 -19.342 5.779 -4.813 1.00 0.79 O ATOM 2492 CB LYS B 59 -18.973 8.742 -3.750 1.00 0.75 C ATOM 2493 CG LYS B 59 -18.019 9.805 -3.228 1.00 0.75 C ATOM 2494 CD LYS B 59 -18.745 10.934 -2.514 1.00 1.14 C ATOM 2495 CE LYS B 59 -19.625 10.418 -1.391 1.00 1.95 C ATOM 2496 NZ LYS B 59 -20.625 11.430 -0.954 1.00 2.67 N ATOM 0 H LYS B 59 -18.500 9.832 -5.879 1.00 0.81 H new ATOM 0 HA LYS B 59 -17.464 7.513 -4.650 1.00 0.76 H new ATOM 0 HB2 LYS B 59 -19.913 9.213 -4.038 1.00 0.75 H new ATOM 0 HB3 LYS B 59 -19.201 8.039 -2.949 1.00 0.75 H new ATOM 0 HG2 LYS B 59 -17.306 9.345 -2.544 1.00 0.75 H new ATOM 0 HG3 LYS B 59 -17.445 10.214 -4.059 1.00 0.75 H new ATOM 0 HD2 LYS B 59 -18.016 11.637 -2.111 1.00 1.14 H new ATOM 0 HD3 LYS B 59 -19.355 11.484 -3.230 1.00 1.14 H new ATOM 0 HE2 LYS B 59 -20.142 9.517 -1.721 1.00 1.95 H new ATOM 0 HE3 LYS B 59 -19.001 10.135 -0.543 1.00 1.95 H new ATOM 0 HZ1 LYS B 59 -21.101 11.098 -0.091 1.00 2.67 H new ATOM 0 HZ2 LYS B 59 -20.144 12.332 -0.759 1.00 2.67 H new ATOM 0 HZ3 LYS B 59 -21.330 11.569 -1.706 1.00 2.67 H new ATOM 2510 N MET B 60 -20.159 7.146 -6.400 1.00 0.86 N ATOM 2511 CA MET B 60 -21.123 6.175 -6.915 1.00 0.92 C ATOM 2512 C MET B 60 -20.469 5.154 -7.847 1.00 0.96 C ATOM 2513 O MET B 60 -20.855 3.986 -7.870 1.00 1.01 O ATOM 2514 CB MET B 60 -22.251 6.901 -7.655 1.00 1.00 C ATOM 2515 CG MET B 60 -23.308 7.487 -6.733 1.00 1.01 C ATOM 2516 SD MET B 60 -24.266 6.217 -5.885 1.00 1.74 S ATOM 2517 CE MET B 60 -25.467 7.221 -5.016 1.00 2.31 C ATOM 0 H MET B 60 -20.164 8.041 -6.889 1.00 0.86 H new ATOM 0 HA MET B 60 -21.528 5.632 -6.061 1.00 0.92 H new ATOM 0 HB2 MET B 60 -21.822 7.702 -8.257 1.00 1.00 H new ATOM 0 HB3 MET B 60 -22.728 6.205 -8.344 1.00 1.00 H new ATOM 0 HG2 MET B 60 -22.826 8.128 -5.994 1.00 1.01 H new ATOM 0 HG3 MET B 60 -23.981 8.119 -7.313 1.00 1.01 H new ATOM 0 HE1 MET B 60 -25.459 6.963 -3.957 1.00 2.31 H new ATOM 0 HE2 MET B 60 -25.214 8.275 -5.134 1.00 2.31 H new ATOM 0 HE3 MET B 60 -26.460 7.038 -5.427 1.00 2.31 H new ATOM 2527 N LYS B 61 -19.484 5.602 -8.611 1.00 0.97 N ATOM 2528 CA LYS B 61 -18.784 4.729 -9.560 1.00 1.02 C ATOM 2529 C LYS B 61 -17.736 3.904 -8.850 1.00 0.96 C ATOM 2530 O LYS B 61 -17.710 2.678 -8.960 1.00 0.92 O ATOM 2531 CB LYS B 61 -18.106 5.533 -10.683 1.00 1.09 C ATOM 2532 CG LYS B 61 -18.538 6.989 -10.786 1.00 1.55 C ATOM 2533 CD LYS B 61 -20.034 7.111 -11.034 1.00 2.08 C ATOM 2534 CE LYS B 61 -20.406 8.492 -11.554 1.00 2.60 C ATOM 2535 NZ LYS B 61 -19.800 8.770 -12.886 1.00 3.16 N ATOM 0 H LYS B 61 -19.146 6.564 -8.597 1.00 0.97 H new ATOM 0 HA LYS B 61 -19.536 4.075 -10.002 1.00 1.02 H new ATOM 0 HB2 LYS B 61 -17.027 5.500 -10.532 1.00 1.09 H new ATOM 0 HB3 LYS B 61 -18.310 5.042 -11.634 1.00 1.09 H new ATOM 0 HG2 LYS B 61 -18.277 7.513 -9.867 1.00 1.55 H new ATOM 0 HG3 LYS B 61 -17.993 7.475 -11.596 1.00 1.55 H new ATOM 0 HD2 LYS B 61 -20.347 6.354 -11.754 1.00 2.08 H new ATOM 0 HD3 LYS B 61 -20.574 6.913 -10.108 1.00 2.08 H new ATOM 0 HE2 LYS B 61 -21.491 8.572 -11.626 1.00 2.60 H new ATOM 0 HE3 LYS B 61 -20.077 9.248 -10.841 1.00 2.60 H new ATOM 0 HZ1 LYS B 61 -20.345 9.514 -13.367 1.00 3.16 H new ATOM 0 HZ2 LYS B 61 -18.817 9.086 -12.761 1.00 3.16 H new ATOM 0 HZ3 LYS B 61 -19.815 7.904 -13.462 1.00 3.16 H new ATOM 2549 N THR B 62 -16.879 4.586 -8.110 1.00 0.99 N ATOM 2550 CA THR B 62 -15.807 3.928 -7.390 1.00 0.96 C ATOM 2551 C THR B 62 -16.325 2.718 -6.623 1.00 0.87 C ATOM 2552 O THR B 62 -15.577 1.781 -6.345 1.00 0.84 O ATOM 2553 CB THR B 62 -15.098 4.893 -6.429 1.00 1.03 C ATOM 2554 OG1 THR B 62 -14.661 6.056 -7.147 1.00 1.13 O ATOM 2555 CG2 THR B 62 -13.904 4.217 -5.769 1.00 1.05 C ATOM 0 H THR B 62 -16.907 5.599 -7.993 1.00 0.99 H new ATOM 0 HA THR B 62 -15.083 3.590 -8.131 1.00 0.96 H new ATOM 0 HB THR B 62 -15.802 5.187 -5.651 1.00 1.03 H new ATOM 0 HG1 THR B 62 -15.441 6.579 -7.429 1.00 1.13 H new ATOM 0 HG21 THR B 62 -13.417 4.919 -5.092 1.00 1.05 H new ATOM 0 HG22 THR B 62 -14.243 3.347 -5.207 1.00 1.05 H new ATOM 0 HG23 THR B 62 -13.196 3.900 -6.535 1.00 1.05 H new ATOM 2563 N LEU B 63 -17.614 2.742 -6.283 1.00 0.86 N ATOM 2564 CA LEU B 63 -18.230 1.620 -5.587 1.00 0.83 C ATOM 2565 C LEU B 63 -17.949 0.333 -6.358 1.00 0.80 C ATOM 2566 O LEU B 63 -16.970 -0.362 -6.098 1.00 0.89 O ATOM 2567 CB LEU B 63 -19.747 1.822 -5.459 1.00 0.95 C ATOM 2568 CG LEU B 63 -20.273 2.219 -4.072 1.00 0.92 C ATOM 2569 CD1 LEU B 63 -20.733 3.665 -4.067 1.00 1.05 C ATOM 2570 CD2 LEU B 63 -21.421 1.307 -3.661 1.00 1.41 C ATOM 0 H LEU B 63 -18.244 3.520 -6.477 1.00 0.86 H new ATOM 0 HA LEU B 63 -17.806 1.555 -4.585 1.00 0.83 H new ATOM 0 HB2 LEU B 63 -20.050 2.590 -6.171 1.00 0.95 H new ATOM 0 HB3 LEU B 63 -20.240 0.897 -5.759 1.00 0.95 H new ATOM 0 HG LEU B 63 -19.459 2.110 -3.355 1.00 0.92 H new ATOM 0 HD11 LEU B 63 -21.102 3.926 -3.075 1.00 1.05 H new ATOM 0 HD12 LEU B 63 -19.896 4.314 -4.325 1.00 1.05 H new ATOM 0 HD13 LEU B 63 -21.532 3.795 -4.797 1.00 1.05 H new ATOM 0 HD21 LEU B 63 -21.784 1.600 -2.676 1.00 1.41 H new ATOM 0 HD22 LEU B 63 -22.231 1.392 -4.386 1.00 1.41 H new ATOM 0 HD23 LEU B 63 -21.072 0.275 -3.627 1.00 1.41 H new ATOM 2582 N ASP B 64 -18.783 0.050 -7.351 1.00 0.78 N ATOM 2583 CA ASP B 64 -18.626 -1.151 -8.159 1.00 0.81 C ATOM 2584 C ASP B 64 -17.185 -1.316 -8.625 1.00 0.81 C ATOM 2585 O ASP B 64 -16.711 -2.433 -8.816 1.00 0.88 O ATOM 2586 CB ASP B 64 -19.560 -1.095 -9.361 1.00 0.91 C ATOM 2587 CG ASP B 64 -21.019 -1.065 -8.952 1.00 1.34 C ATOM 2588 OD1 ASP B 64 -21.570 -2.140 -8.636 1.00 1.96 O ATOM 2589 OD2 ASP B 64 -21.610 0.035 -8.945 1.00 2.05 O ATOM 0 H ASP B 64 -19.575 0.636 -7.615 1.00 0.78 H new ATOM 0 HA ASP B 64 -18.883 -2.012 -7.542 1.00 0.81 H new ATOM 0 HB2 ASP B 64 -19.333 -0.210 -9.955 1.00 0.91 H new ATOM 0 HB3 ASP B 64 -19.381 -1.961 -9.999 1.00 0.91 H new ATOM 2594 N VAL B 65 -16.492 -0.196 -8.816 1.00 0.81 N ATOM 2595 CA VAL B 65 -15.102 -0.235 -9.245 1.00 0.87 C ATOM 2596 C VAL B 65 -14.291 -1.106 -8.291 1.00 0.77 C ATOM 2597 O VAL B 65 -14.040 -2.278 -8.568 1.00 0.83 O ATOM 2598 CB VAL B 65 -14.493 1.186 -9.319 1.00 0.95 C ATOM 2599 CG1 VAL B 65 -12.993 1.132 -9.578 1.00 1.06 C ATOM 2600 CG2 VAL B 65 -15.188 2.001 -10.399 1.00 1.07 C ATOM 0 H VAL B 65 -16.869 0.742 -8.681 1.00 0.81 H new ATOM 0 HA VAL B 65 -15.068 -0.664 -10.246 1.00 0.87 H new ATOM 0 HB VAL B 65 -14.649 1.670 -8.355 1.00 0.95 H new ATOM 0 HG11 VAL B 65 -12.595 2.146 -9.625 1.00 1.06 H new ATOM 0 HG12 VAL B 65 -12.504 0.587 -8.771 1.00 1.06 H new ATOM 0 HG13 VAL B 65 -12.805 0.625 -10.524 1.00 1.06 H new ATOM 0 HG21 VAL B 65 -14.750 2.998 -10.441 1.00 1.07 H new ATOM 0 HG22 VAL B 65 -15.062 1.509 -11.364 1.00 1.07 H new ATOM 0 HG23 VAL B 65 -16.250 2.080 -10.168 1.00 1.07 H new ATOM 2610 N ASN B 66 -13.879 -0.527 -7.169 1.00 0.72 N ATOM 2611 CA ASN B 66 -13.117 -1.262 -6.161 1.00 0.67 C ATOM 2612 C ASN B 66 -14.034 -2.053 -5.235 1.00 0.56 C ATOM 2613 O ASN B 66 -13.863 -2.028 -4.016 1.00 0.57 O ATOM 2614 CB ASN B 66 -12.290 -0.311 -5.318 1.00 0.81 C ATOM 2615 CG ASN B 66 -11.647 0.792 -6.135 1.00 0.82 C ATOM 2616 OD1 ASN B 66 -12.229 1.859 -6.328 1.00 1.52 O ATOM 2617 ND2 ASN B 66 -10.437 0.539 -6.622 1.00 1.10 N ATOM 0 H ASN B 66 -14.059 0.449 -6.933 1.00 0.72 H new ATOM 0 HA ASN B 66 -12.465 -1.952 -6.696 1.00 0.67 H new ATOM 0 HB2 ASN B 66 -12.925 0.134 -4.552 1.00 0.81 H new ATOM 0 HB3 ASN B 66 -11.513 -0.874 -4.801 1.00 0.81 H new ATOM 0 HD21 ASN B 66 -9.954 1.243 -7.180 1.00 1.10 H new ATOM 0 HD22 ASN B 66 -9.991 -0.359 -6.438 1.00 1.10 H new ATOM 2624 N GLN B 67 -15.004 -2.749 -5.798 1.00 0.63 N ATOM 2625 CA GLN B 67 -15.937 -3.517 -4.999 1.00 0.68 C ATOM 2626 C GLN B 67 -15.221 -4.428 -4.017 1.00 0.61 C ATOM 2627 O GLN B 67 -15.447 -4.365 -2.809 1.00 0.66 O ATOM 2628 CB GLN B 67 -16.883 -4.310 -5.911 1.00 0.90 C ATOM 2629 CG GLN B 67 -16.293 -5.560 -6.553 1.00 0.74 C ATOM 2630 CD GLN B 67 -15.184 -5.253 -7.557 1.00 1.20 C ATOM 2631 OE1 GLN B 67 -14.079 -5.998 -7.492 1.00 2.01 O flip ATOM 2632 NE2 GLN B 67 -15.307 -4.333 -8.363 1.00 1.44 N flip ATOM 0 H GLN B 67 -15.165 -2.798 -6.804 1.00 0.63 H new ATOM 0 HA GLN B 67 -16.530 -2.821 -4.406 1.00 0.68 H new ATOM 0 HB2 GLN B 67 -17.758 -4.601 -5.330 1.00 0.90 H new ATOM 0 HB3 GLN B 67 -17.233 -3.648 -6.703 1.00 0.90 H new ATOM 0 HG2 GLN B 67 -15.898 -6.210 -5.772 1.00 0.74 H new ATOM 0 HG3 GLN B 67 -17.087 -6.112 -7.056 1.00 0.74 H new ATOM 0 HE21 GLN B 67 -16.167 -3.785 -8.384 1.00 1.44 H new ATOM 0 HE22 GLN B 67 -14.549 -4.118 -9.011 1.00 1.44 H new ATOM 2641 N ASP B 68 -14.359 -5.269 -4.545 1.00 0.59 N ATOM 2642 CA ASP B 68 -13.612 -6.206 -3.758 1.00 0.62 C ATOM 2643 C ASP B 68 -12.319 -5.595 -3.274 1.00 0.59 C ATOM 2644 O ASP B 68 -11.380 -6.330 -2.983 1.00 0.65 O ATOM 2645 CB ASP B 68 -13.340 -7.478 -4.553 1.00 0.73 C ATOM 2646 CG ASP B 68 -14.616 -8.211 -4.919 1.00 0.97 C ATOM 2647 OD1 ASP B 68 -15.216 -8.840 -4.022 1.00 1.50 O ATOM 2648 OD2 ASP B 68 -15.014 -8.159 -6.102 1.00 1.58 O ATOM 0 H ASP B 68 -14.160 -5.316 -5.544 1.00 0.59 H new ATOM 0 HA ASP B 68 -14.210 -6.467 -2.885 1.00 0.62 H new ATOM 0 HB2 ASP B 68 -12.795 -7.226 -5.462 1.00 0.73 H new ATOM 0 HB3 ASP B 68 -12.699 -8.139 -3.969 1.00 0.73 H new ATOM 2653 N SER B 69 -12.251 -4.248 -3.184 1.00 0.56 N ATOM 2654 CA SER B 69 -11.036 -3.570 -2.704 1.00 0.58 C ATOM 2655 C SER B 69 -10.465 -4.358 -1.540 1.00 0.62 C ATOM 2656 O SER B 69 -9.257 -4.434 -1.342 1.00 0.74 O ATOM 2657 CB SER B 69 -11.349 -2.135 -2.274 1.00 0.66 C ATOM 2658 OG SER B 69 -12.206 -2.117 -1.145 1.00 1.74 O ATOM 0 H SER B 69 -13.015 -3.620 -3.435 1.00 0.56 H new ATOM 0 HA SER B 69 -10.305 -3.523 -3.511 1.00 0.58 H new ATOM 0 HB2 SER B 69 -10.422 -1.612 -2.039 1.00 0.66 H new ATOM 0 HB3 SER B 69 -11.818 -1.599 -3.099 1.00 0.66 H new ATOM 0 HG SER B 69 -12.390 -1.189 -0.889 1.00 1.74 H new ATOM 2664 N GLU B 70 -11.386 -4.955 -0.798 1.00 0.63 N ATOM 2665 CA GLU B 70 -11.058 -5.829 0.298 1.00 0.76 C ATOM 2666 C GLU B 70 -11.731 -7.148 0.053 1.00 0.77 C ATOM 2667 O GLU B 70 -12.740 -7.236 -0.647 1.00 0.81 O ATOM 2668 CB GLU B 70 -11.542 -5.306 1.633 1.00 0.84 C ATOM 2669 CG GLU B 70 -11.628 -6.399 2.713 1.00 1.33 C ATOM 2670 CD GLU B 70 -10.277 -6.969 3.111 1.00 2.19 C ATOM 2671 OE1 GLU B 70 -9.246 -6.393 2.705 1.00 2.73 O ATOM 2672 OE2 GLU B 70 -10.254 -7.993 3.825 1.00 2.87 O ATOM 0 H GLU B 70 -12.388 -4.840 -0.948 1.00 0.63 H new ATOM 0 HA GLU B 70 -9.972 -5.910 0.344 1.00 0.76 H new ATOM 0 HB2 GLU B 70 -10.870 -4.519 1.974 1.00 0.84 H new ATOM 0 HB3 GLU B 70 -12.525 -4.852 1.504 1.00 0.84 H new ATOM 0 HG2 GLU B 70 -12.114 -5.987 3.597 1.00 1.33 H new ATOM 0 HG3 GLU B 70 -12.261 -7.208 2.349 1.00 1.33 H new ATOM 2679 N LEU B 71 -11.131 -8.179 0.565 1.00 0.79 N ATOM 2680 CA LEU B 71 -11.696 -9.470 0.427 1.00 0.83 C ATOM 2681 C LEU B 71 -11.314 -10.403 1.551 1.00 0.81 C ATOM 2682 O LEU B 71 -10.422 -10.131 2.354 1.00 0.86 O ATOM 2683 CB LEU B 71 -11.336 -10.063 -0.904 1.00 0.99 C ATOM 2684 CG LEU B 71 -9.887 -9.889 -1.272 1.00 0.78 C ATOM 2685 CD1 LEU B 71 -9.611 -8.400 -1.522 1.00 1.89 C ATOM 2686 CD2 LEU B 71 -9.026 -10.471 -0.176 1.00 1.25 C ATOM 0 H LEU B 71 -10.251 -8.143 1.080 1.00 0.79 H new ATOM 0 HA LEU B 71 -12.778 -9.347 0.481 1.00 0.83 H new ATOM 0 HB2 LEU B 71 -11.574 -11.127 -0.894 1.00 0.99 H new ATOM 0 HB3 LEU B 71 -11.955 -9.605 -1.675 1.00 0.99 H new ATOM 0 HG LEU B 71 -9.645 -10.423 -2.191 1.00 0.78 H new ATOM 0 HD11 LEU B 71 -8.563 -8.264 -1.789 1.00 1.89 H new ATOM 0 HD12 LEU B 71 -10.242 -8.045 -2.336 1.00 1.89 H new ATOM 0 HD13 LEU B 71 -9.831 -7.832 -0.618 1.00 1.89 H new ATOM 0 HD21 LEU B 71 -7.974 -10.349 -0.436 1.00 1.25 H new ATOM 0 HD22 LEU B 71 -9.231 -9.954 0.761 1.00 1.25 H new ATOM 0 HD23 LEU B 71 -9.250 -11.531 -0.061 1.00 1.25 H new ATOM 2698 N ARG B 72 -12.016 -11.500 1.576 1.00 0.77 N ATOM 2699 CA ARG B 72 -11.786 -12.567 2.504 1.00 0.80 C ATOM 2700 C ARG B 72 -11.052 -13.680 1.759 1.00 0.69 C ATOM 2701 O ARG B 72 -10.298 -14.449 2.350 1.00 0.76 O ATOM 2702 CB ARG B 72 -13.125 -13.094 3.012 1.00 0.91 C ATOM 2703 CG ARG B 72 -14.182 -12.021 3.181 1.00 1.00 C ATOM 2704 CD ARG B 72 -13.655 -10.837 3.966 1.00 1.06 C ATOM 2705 NE ARG B 72 -13.071 -11.244 5.242 1.00 1.30 N ATOM 2706 CZ ARG B 72 -12.194 -10.511 5.919 1.00 1.18 C ATOM 2707 NH1 ARG B 72 -11.802 -9.337 5.446 1.00 1.55 N ATOM 2708 NH2 ARG B 72 -11.707 -10.954 7.070 1.00 1.42 N ATOM 0 H ARG B 72 -12.786 -11.680 0.932 1.00 0.77 H new ATOM 0 HA ARG B 72 -11.197 -12.219 3.352 1.00 0.80 H new ATOM 0 HB2 ARG B 72 -13.495 -13.848 2.318 1.00 0.91 H new ATOM 0 HB3 ARG B 72 -12.969 -13.591 3.969 1.00 0.91 H new ATOM 0 HG2 ARG B 72 -14.521 -11.686 2.201 1.00 1.00 H new ATOM 0 HG3 ARG B 72 -15.049 -12.440 3.692 1.00 1.00 H new ATOM 0 HD2 ARG B 72 -12.904 -10.314 3.374 1.00 1.06 H new ATOM 0 HD3 ARG B 72 -14.466 -10.132 4.147 1.00 1.06 H new ATOM 0 HE ARG B 72 -13.353 -12.142 5.635 1.00 1.30 H new ATOM 0 HH11 ARG B 72 -12.174 -8.994 4.560 1.00 1.55 H new ATOM 0 HH12 ARG B 72 -11.129 -8.776 5.968 1.00 1.55 H new ATOM 0 HH21 ARG B 72 -12.006 -11.858 7.436 1.00 1.42 H new ATOM 0 HH22 ARG B 72 -11.034 -10.391 7.589 1.00 1.42 H new ATOM 2722 N PHE B 73 -11.263 -13.727 0.430 1.00 0.60 N ATOM 2723 CA PHE B 73 -10.674 -14.749 -0.407 1.00 0.57 C ATOM 2724 C PHE B 73 -9.412 -14.287 -1.171 1.00 0.52 C ATOM 2725 O PHE B 73 -8.418 -13.946 -0.542 1.00 0.63 O ATOM 2726 CB PHE B 73 -11.737 -15.381 -1.333 1.00 0.65 C ATOM 2727 CG PHE B 73 -12.591 -14.444 -2.163 1.00 0.59 C ATOM 2728 CD1 PHE B 73 -12.305 -13.093 -2.296 1.00 1.24 C ATOM 2729 CD2 PHE B 73 -13.705 -14.945 -2.821 1.00 1.36 C ATOM 2730 CE1 PHE B 73 -13.106 -12.273 -3.061 1.00 1.32 C ATOM 2731 CE2 PHE B 73 -14.508 -14.126 -3.587 1.00 1.44 C ATOM 2732 CZ PHE B 73 -14.208 -12.787 -3.707 1.00 0.87 C ATOM 0 H PHE B 73 -11.843 -13.057 -0.075 1.00 0.60 H new ATOM 0 HA PHE B 73 -10.310 -15.527 0.264 1.00 0.57 H new ATOM 0 HB2 PHE B 73 -11.227 -16.062 -2.014 1.00 0.65 H new ATOM 0 HB3 PHE B 73 -12.403 -15.985 -0.717 1.00 0.65 H new ATOM 0 HD1 PHE B 73 -11.444 -12.679 -1.794 1.00 1.24 H new ATOM 0 HD2 PHE B 73 -13.947 -15.994 -2.732 1.00 1.36 H new ATOM 0 HE1 PHE B 73 -12.869 -11.224 -3.154 1.00 1.32 H new ATOM 0 HE2 PHE B 73 -15.371 -14.534 -4.092 1.00 1.44 H new ATOM 0 HZ PHE B 73 -14.835 -12.143 -4.306 1.00 0.87 H new ATOM 2742 N SER B 74 -9.462 -14.191 -2.505 1.00 0.48 N ATOM 2743 CA SER B 74 -8.250 -13.889 -3.284 1.00 0.48 C ATOM 2744 C SER B 74 -8.297 -12.574 -4.029 1.00 0.42 C ATOM 2745 O SER B 74 -7.362 -12.227 -4.749 1.00 0.46 O ATOM 2746 CB SER B 74 -7.951 -14.999 -4.285 1.00 0.63 C ATOM 2747 OG SER B 74 -9.056 -15.229 -5.142 1.00 1.03 O ATOM 0 H SER B 74 -10.309 -14.315 -3.060 1.00 0.48 H new ATOM 0 HA SER B 74 -7.459 -13.812 -2.538 1.00 0.48 H new ATOM 0 HB2 SER B 74 -7.077 -14.731 -4.879 1.00 0.63 H new ATOM 0 HB3 SER B 74 -7.705 -15.917 -3.751 1.00 0.63 H new ATOM 0 HG SER B 74 -8.836 -15.944 -5.775 1.00 1.03 H new ATOM 2753 N GLU B 75 -9.370 -11.854 -3.869 1.00 0.43 N ATOM 2754 CA GLU B 75 -9.514 -10.563 -4.512 1.00 0.42 C ATOM 2755 C GLU B 75 -8.449 -9.572 -4.024 1.00 0.42 C ATOM 2756 O GLU B 75 -8.350 -8.483 -4.561 1.00 0.56 O ATOM 2757 CB GLU B 75 -10.885 -9.997 -4.156 1.00 0.44 C ATOM 2758 CG GLU B 75 -11.989 -10.256 -5.146 1.00 0.59 C ATOM 2759 CD GLU B 75 -11.772 -9.572 -6.482 1.00 0.93 C ATOM 2760 OE1 GLU B 75 -10.651 -9.079 -6.720 1.00 1.60 O ATOM 2761 OE2 GLU B 75 -12.725 -9.528 -7.288 1.00 1.41 O ATOM 0 H GLU B 75 -10.167 -12.134 -3.297 1.00 0.43 H new ATOM 0 HA GLU B 75 -9.400 -10.699 -5.587 1.00 0.42 H new ATOM 0 HB2 GLU B 75 -11.186 -10.408 -3.192 1.00 0.44 H new ATOM 0 HB3 GLU B 75 -10.787 -8.919 -4.026 1.00 0.44 H new ATOM 0 HG2 GLU B 75 -12.078 -11.330 -5.306 1.00 0.59 H new ATOM 0 HG3 GLU B 75 -12.934 -9.917 -4.722 1.00 0.59 H new ATOM 2768 N TYR B 76 -7.672 -9.943 -2.980 1.00 0.38 N ATOM 2769 CA TYR B 76 -6.680 -9.036 -2.366 1.00 0.38 C ATOM 2770 C TYR B 76 -5.963 -8.138 -3.368 1.00 0.39 C ATOM 2771 O TYR B 76 -5.543 -7.036 -3.021 1.00 0.42 O ATOM 2772 CB TYR B 76 -5.678 -9.789 -1.473 1.00 0.40 C ATOM 2773 CG TYR B 76 -6.006 -9.772 0.017 1.00 0.41 C ATOM 2774 CD1 TYR B 76 -6.810 -8.785 0.591 1.00 1.22 C ATOM 2775 CD2 TYR B 76 -5.545 -10.784 0.843 1.00 1.29 C ATOM 2776 CE1 TYR B 76 -7.129 -8.808 1.925 1.00 1.26 C ATOM 2777 CE2 TYR B 76 -5.864 -10.820 2.182 1.00 1.29 C ATOM 2778 CZ TYR B 76 -6.659 -9.828 2.723 1.00 0.48 C ATOM 2779 OH TYR B 76 -6.979 -9.857 4.061 1.00 0.54 O ATOM 0 H TYR B 76 -7.715 -10.865 -2.546 1.00 0.38 H new ATOM 0 HA TYR B 76 -7.262 -8.371 -1.729 1.00 0.38 H new ATOM 0 HB2 TYR B 76 -5.624 -10.825 -1.806 1.00 0.40 H new ATOM 0 HB3 TYR B 76 -4.688 -9.356 -1.617 1.00 0.40 H new ATOM 0 HD1 TYR B 76 -7.189 -7.986 -0.029 1.00 1.22 H new ATOM 0 HD2 TYR B 76 -4.922 -11.562 0.428 1.00 1.29 H new ATOM 0 HE1 TYR B 76 -7.746 -8.029 2.348 1.00 1.26 H new ATOM 0 HE2 TYR B 76 -5.494 -11.620 2.806 1.00 1.29 H new ATOM 0 HH TYR B 76 -6.568 -10.643 4.479 1.00 0.54 H new ATOM 2789 N TRP B 77 -5.838 -8.581 -4.601 1.00 0.40 N ATOM 2790 CA TRP B 77 -5.215 -7.752 -5.639 1.00 0.43 C ATOM 2791 C TRP B 77 -6.000 -6.447 -5.811 1.00 0.45 C ATOM 2792 O TRP B 77 -5.517 -5.504 -6.429 1.00 0.50 O ATOM 2793 CB TRP B 77 -5.195 -8.499 -6.968 1.00 0.45 C ATOM 2794 CG TRP B 77 -6.572 -8.803 -7.453 1.00 0.45 C ATOM 2795 CD1 TRP B 77 -7.513 -7.896 -7.832 1.00 0.50 C ATOM 2796 CD2 TRP B 77 -7.181 -10.092 -7.575 1.00 0.46 C ATOM 2797 NE1 TRP B 77 -8.660 -8.539 -8.204 1.00 0.53 N ATOM 2798 CE2 TRP B 77 -8.487 -9.890 -8.053 1.00 0.51 C ATOM 2799 CE3 TRP B 77 -6.749 -11.396 -7.334 1.00 0.47 C ATOM 2800 CZ2 TRP B 77 -9.364 -10.945 -8.291 1.00 0.56 C ATOM 2801 CZ3 TRP B 77 -7.617 -12.441 -7.566 1.00 0.53 C ATOM 2802 CH2 TRP B 77 -8.912 -12.212 -8.039 1.00 0.56 C ATOM 0 H TRP B 77 -6.152 -9.498 -4.918 1.00 0.40 H new ATOM 0 HA TRP B 77 -4.193 -7.527 -5.333 1.00 0.43 H new ATOM 0 HB2 TRP B 77 -4.671 -7.901 -7.713 1.00 0.45 H new ATOM 0 HB3 TRP B 77 -4.636 -9.428 -6.854 1.00 0.45 H new ATOM 0 HD1 TRP B 77 -7.374 -6.825 -7.838 1.00 0.50 H new ATOM 0 HE1 TRP B 77 -9.510 -8.086 -8.540 1.00 0.53 H new ATOM 0 HE3 TRP B 77 -5.749 -11.584 -6.971 1.00 0.47 H new ATOM 0 HZ2 TRP B 77 -10.364 -10.770 -8.661 1.00 0.56 H new ATOM 0 HZ3 TRP B 77 -7.291 -13.454 -7.379 1.00 0.53 H new ATOM 0 HH2 TRP B 77 -9.569 -13.052 -8.209 1.00 0.56 H new ATOM 2813 N ARG B 78 -7.225 -6.412 -5.289 1.00 0.43 N ATOM 2814 CA ARG B 78 -8.062 -5.239 -5.373 1.00 0.47 C ATOM 2815 C ARG B 78 -7.536 -4.155 -4.439 1.00 0.49 C ATOM 2816 O ARG B 78 -7.813 -2.972 -4.633 1.00 0.62 O ATOM 2817 CB ARG B 78 -9.527 -5.611 -5.081 1.00 0.50 C ATOM 2818 CG ARG B 78 -10.122 -6.523 -6.134 1.00 0.61 C ATOM 2819 CD ARG B 78 -10.544 -5.747 -7.371 1.00 0.77 C ATOM 2820 NE ARG B 78 -11.175 -6.606 -8.368 1.00 1.49 N ATOM 2821 CZ ARG B 78 -11.366 -6.248 -9.634 1.00 1.76 C ATOM 2822 NH1 ARG B 78 -10.983 -5.049 -10.053 1.00 1.37 N ATOM 2823 NH2 ARG B 78 -11.943 -7.087 -10.483 1.00 2.83 N ATOM 0 H ARG B 78 -7.654 -7.197 -4.800 1.00 0.43 H new ATOM 0 HA ARG B 78 -8.031 -4.835 -6.385 1.00 0.47 H new ATOM 0 HB2 ARG B 78 -9.586 -6.099 -4.108 1.00 0.50 H new ATOM 0 HB3 ARG B 78 -10.123 -4.700 -5.017 1.00 0.50 H new ATOM 0 HG2 ARG B 78 -9.392 -7.284 -6.412 1.00 0.61 H new ATOM 0 HG3 ARG B 78 -10.984 -7.045 -5.719 1.00 0.61 H new ATOM 0 HD2 ARG B 78 -11.237 -4.956 -7.084 1.00 0.77 H new ATOM 0 HD3 ARG B 78 -9.672 -5.263 -7.810 1.00 0.77 H new ATOM 0 HE ARG B 78 -11.487 -7.533 -8.077 1.00 1.49 H new ATOM 0 HH11 ARG B 78 -10.541 -4.399 -9.403 1.00 1.37 H new ATOM 0 HH12 ARG B 78 -11.131 -4.777 -11.025 1.00 1.37 H new ATOM 0 HH21 ARG B 78 -12.241 -8.009 -10.165 1.00 2.83 H new ATOM 0 HH22 ARG B 78 -12.089 -6.810 -11.454 1.00 2.83 H new ATOM 2837 N LEU B 79 -6.771 -4.566 -3.421 1.00 0.42 N ATOM 2838 CA LEU B 79 -6.153 -3.619 -2.509 1.00 0.45 C ATOM 2839 C LEU B 79 -4.895 -3.064 -3.162 1.00 0.46 C ATOM 2840 O LEU B 79 -4.422 -1.983 -2.813 1.00 0.53 O ATOM 2841 CB LEU B 79 -5.740 -4.261 -1.170 1.00 0.53 C ATOM 2842 CG LEU B 79 -6.370 -5.604 -0.761 1.00 0.62 C ATOM 2843 CD1 LEU B 79 -5.272 -6.555 -0.305 1.00 1.23 C ATOM 2844 CD2 LEU B 79 -7.361 -5.400 0.376 1.00 0.88 C ATOM 0 H LEU B 79 -6.571 -5.545 -3.215 1.00 0.42 H new ATOM 0 HA LEU B 79 -6.890 -2.843 -2.302 1.00 0.45 H new ATOM 0 HB2 LEU B 79 -4.659 -4.397 -1.190 1.00 0.53 H new ATOM 0 HB3 LEU B 79 -5.956 -3.542 -0.380 1.00 0.53 H new ATOM 0 HG LEU B 79 -6.896 -6.024 -1.618 1.00 0.62 H new ATOM 0 HD11 LEU B 79 -5.714 -7.508 -0.014 1.00 1.23 H new ATOM 0 HD12 LEU B 79 -4.568 -6.716 -1.121 1.00 1.23 H new ATOM 0 HD13 LEU B 79 -4.747 -6.123 0.547 1.00 1.23 H new ATOM 0 HD21 LEU B 79 -7.798 -6.359 0.654 1.00 0.88 H new ATOM 0 HD22 LEU B 79 -6.845 -4.973 1.236 1.00 0.88 H new ATOM 0 HD23 LEU B 79 -8.150 -4.721 0.053 1.00 0.88 H new ATOM 2856 N ILE B 80 -4.360 -3.823 -4.117 1.00 0.44 N ATOM 2857 CA ILE B 80 -3.146 -3.457 -4.820 1.00 0.48 C ATOM 2858 C ILE B 80 -3.099 -1.950 -5.132 1.00 0.48 C ATOM 2859 O ILE B 80 -2.142 -1.267 -4.771 1.00 0.51 O ATOM 2860 CB ILE B 80 -2.983 -4.328 -6.105 1.00 0.52 C ATOM 2861 CG1 ILE B 80 -1.502 -4.538 -6.414 1.00 0.59 C ATOM 2862 CG2 ILE B 80 -3.689 -3.717 -7.310 1.00 0.55 C ATOM 2863 CD1 ILE B 80 -0.774 -5.352 -5.364 1.00 1.16 C ATOM 0 H ILE B 80 -4.762 -4.710 -4.421 1.00 0.44 H new ATOM 0 HA ILE B 80 -2.298 -3.660 -4.167 1.00 0.48 H new ATOM 0 HB ILE B 80 -3.454 -5.291 -5.906 1.00 0.52 H new ATOM 0 HG12 ILE B 80 -1.408 -5.037 -7.379 1.00 0.59 H new ATOM 0 HG13 ILE B 80 -1.018 -3.566 -6.509 1.00 0.59 H new ATOM 0 HG21 ILE B 80 -3.547 -4.359 -8.179 1.00 0.55 H new ATOM 0 HG22 ILE B 80 -4.754 -3.623 -7.099 1.00 0.55 H new ATOM 0 HG23 ILE B 80 -3.272 -2.731 -7.515 1.00 0.55 H new ATOM 0 HD11 ILE B 80 0.272 -5.461 -5.649 1.00 1.16 H new ATOM 0 HD12 ILE B 80 -0.837 -4.844 -4.402 1.00 1.16 H new ATOM 0 HD13 ILE B 80 -1.233 -6.337 -5.285 1.00 1.16 H new ATOM 2875 N GLY B 81 -4.133 -1.442 -5.799 1.00 0.47 N ATOM 2876 CA GLY B 81 -4.183 -0.027 -6.126 1.00 0.49 C ATOM 2877 C GLY B 81 -4.729 0.836 -4.997 1.00 0.43 C ATOM 2878 O GLY B 81 -4.762 2.059 -5.114 1.00 0.43 O ATOM 0 H GLY B 81 -4.936 -1.984 -6.118 1.00 0.47 H new ATOM 0 HA2 GLY B 81 -3.180 0.315 -6.382 1.00 0.49 H new ATOM 0 HA3 GLY B 81 -4.803 0.112 -7.012 1.00 0.49 H new ATOM 2882 N GLU B 82 -5.157 0.209 -3.901 1.00 0.42 N ATOM 2883 CA GLU B 82 -5.729 0.939 -2.772 1.00 0.39 C ATOM 2884 C GLU B 82 -4.662 1.546 -1.889 1.00 0.33 C ATOM 2885 O GLU B 82 -4.530 2.766 -1.797 1.00 0.34 O ATOM 2886 CB GLU B 82 -6.572 0.004 -1.943 1.00 0.44 C ATOM 2887 CG GLU B 82 -7.725 -0.621 -2.708 1.00 0.46 C ATOM 2888 CD GLU B 82 -8.735 0.407 -3.179 1.00 0.72 C ATOM 2889 OE1 GLU B 82 -8.546 0.964 -4.281 1.00 1.48 O ATOM 2890 OE2 GLU B 82 -9.713 0.658 -2.444 1.00 1.39 O ATOM 0 H GLU B 82 -5.118 -0.802 -3.772 1.00 0.42 H new ATOM 0 HA GLU B 82 -6.335 1.749 -3.179 1.00 0.39 H new ATOM 0 HB2 GLU B 82 -5.937 -0.789 -1.548 1.00 0.44 H new ATOM 0 HB3 GLU B 82 -6.969 0.550 -1.087 1.00 0.44 H new ATOM 0 HG2 GLU B 82 -7.334 -1.162 -3.569 1.00 0.46 H new ATOM 0 HG3 GLU B 82 -8.225 -1.352 -2.072 1.00 0.46 H new ATOM 2897 N LEU B 83 -3.894 0.679 -1.239 1.00 0.34 N ATOM 2898 CA LEU B 83 -2.830 1.115 -0.352 1.00 0.35 C ATOM 2899 C LEU B 83 -1.980 2.158 -1.044 1.00 0.34 C ATOM 2900 O LEU B 83 -1.365 3.010 -0.403 1.00 0.41 O ATOM 2901 CB LEU B 83 -1.962 -0.072 0.050 1.00 0.43 C ATOM 2902 CG LEU B 83 -2.180 -0.597 1.465 1.00 0.50 C ATOM 2903 CD1 LEU B 83 -1.370 -1.868 1.680 1.00 1.27 C ATOM 2904 CD2 LEU B 83 -1.797 0.460 2.491 1.00 1.31 C ATOM 0 H LEU B 83 -3.992 -0.334 -1.312 1.00 0.34 H new ATOM 0 HA LEU B 83 -3.274 1.549 0.544 1.00 0.35 H new ATOM 0 HB2 LEU B 83 -2.143 -0.886 -0.652 1.00 0.43 H new ATOM 0 HB3 LEU B 83 -0.915 0.214 -0.055 1.00 0.43 H new ATOM 0 HG LEU B 83 -3.237 -0.830 1.593 1.00 0.50 H new ATOM 0 HD11 LEU B 83 -1.532 -2.236 2.693 1.00 1.27 H new ATOM 0 HD12 LEU B 83 -1.686 -2.626 0.964 1.00 1.27 H new ATOM 0 HD13 LEU B 83 -0.311 -1.653 1.537 1.00 1.27 H new ATOM 0 HD21 LEU B 83 -1.959 0.068 3.495 1.00 1.31 H new ATOM 0 HD22 LEU B 83 -0.746 0.722 2.369 1.00 1.31 H new ATOM 0 HD23 LEU B 83 -2.411 1.348 2.345 1.00 1.31 H new ATOM 2916 N ALA B 84 -1.956 2.080 -2.364 1.00 0.34 N ATOM 2917 CA ALA B 84 -1.183 3.022 -3.144 1.00 0.37 C ATOM 2918 C ALA B 84 -1.916 4.339 -3.317 1.00 0.41 C ATOM 2919 O ALA B 84 -1.296 5.400 -3.362 1.00 0.47 O ATOM 2920 CB ALA B 84 -0.847 2.438 -4.488 1.00 0.41 C ATOM 0 H ALA B 84 -2.459 1.380 -2.910 1.00 0.34 H new ATOM 0 HA ALA B 84 -0.260 3.221 -2.599 1.00 0.37 H new ATOM 0 HB1 ALA B 84 -0.265 3.159 -5.063 1.00 0.41 H new ATOM 0 HB2 ALA B 84 -0.265 1.527 -4.353 1.00 0.41 H new ATOM 0 HB3 ALA B 84 -1.767 2.205 -5.024 1.00 0.41 H new ATOM 2926 N LYS B 85 -3.244 4.277 -3.418 1.00 0.42 N ATOM 2927 CA LYS B 85 -4.039 5.489 -3.564 1.00 0.51 C ATOM 2928 C LYS B 85 -3.680 6.491 -2.493 1.00 0.50 C ATOM 2929 O LYS B 85 -3.923 7.676 -2.643 1.00 0.67 O ATOM 2930 CB LYS B 85 -5.534 5.179 -3.552 1.00 0.62 C ATOM 2931 CG LYS B 85 -6.066 4.745 -4.910 1.00 1.19 C ATOM 2932 CD LYS B 85 -7.355 3.956 -4.776 1.00 1.44 C ATOM 2933 CE LYS B 85 -8.369 4.714 -3.947 1.00 1.56 C ATOM 2934 NZ LYS B 85 -8.851 5.927 -4.659 1.00 2.69 N ATOM 0 H LYS B 85 -3.783 3.411 -3.401 1.00 0.42 H new ATOM 0 HA LYS B 85 -3.807 5.930 -4.534 1.00 0.51 H new ATOM 0 HB2 LYS B 85 -5.730 4.392 -2.824 1.00 0.62 H new ATOM 0 HB3 LYS B 85 -6.079 6.063 -3.221 1.00 0.62 H new ATOM 0 HG2 LYS B 85 -6.239 5.623 -5.532 1.00 1.19 H new ATOM 0 HG3 LYS B 85 -5.317 4.137 -5.418 1.00 1.19 H new ATOM 0 HD2 LYS B 85 -7.766 3.753 -5.765 1.00 1.44 H new ATOM 0 HD3 LYS B 85 -7.149 2.991 -4.313 1.00 1.44 H new ATOM 0 HE2 LYS B 85 -9.214 4.064 -3.719 1.00 1.56 H new ATOM 0 HE3 LYS B 85 -7.922 5.002 -2.996 1.00 1.56 H new ATOM 0 HZ1 LYS B 85 -9.232 6.606 -3.969 1.00 2.69 H new ATOM 0 HZ2 LYS B 85 -8.061 6.364 -5.175 1.00 2.69 H new ATOM 0 HZ3 LYS B 85 -9.598 5.661 -5.331 1.00 2.69 H new ATOM 2948 N GLU B 86 -3.106 6.004 -1.412 1.00 0.44 N ATOM 2949 CA GLU B 86 -2.663 6.863 -0.336 1.00 0.45 C ATOM 2950 C GLU B 86 -1.306 7.452 -0.684 1.00 0.44 C ATOM 2951 O GLU B 86 -1.021 8.617 -0.405 1.00 0.48 O ATOM 2952 CB GLU B 86 -2.565 6.061 0.948 1.00 0.48 C ATOM 2953 CG GLU B 86 -3.728 5.115 1.134 1.00 0.98 C ATOM 2954 CD GLU B 86 -5.069 5.821 1.064 1.00 2.07 C ATOM 2955 OE1 GLU B 86 -5.523 6.125 -0.060 1.00 2.90 O ATOM 2956 OE2 GLU B 86 -5.666 6.067 2.132 1.00 2.60 O ATOM 0 H GLU B 86 -2.935 5.011 -1.256 1.00 0.44 H new ATOM 0 HA GLU B 86 -3.380 7.672 -0.197 1.00 0.45 H new ATOM 0 HB2 GLU B 86 -1.635 5.492 0.946 1.00 0.48 H new ATOM 0 HB3 GLU B 86 -2.518 6.744 1.796 1.00 0.48 H new ATOM 0 HG2 GLU B 86 -3.688 4.341 0.368 1.00 0.98 H new ATOM 0 HG3 GLU B 86 -3.634 4.615 2.098 1.00 0.98 H new ATOM 2963 N VAL B 87 -0.476 6.620 -1.304 1.00 0.44 N ATOM 2964 CA VAL B 87 0.863 7.015 -1.705 1.00 0.46 C ATOM 2965 C VAL B 87 0.859 7.811 -3.013 1.00 0.46 C ATOM 2966 O VAL B 87 1.843 8.472 -3.343 1.00 0.54 O ATOM 2967 CB VAL B 87 1.791 5.781 -1.827 1.00 0.55 C ATOM 2968 CG1 VAL B 87 3.094 6.139 -2.516 1.00 1.01 C ATOM 2969 CG2 VAL B 87 2.060 5.192 -0.450 1.00 0.81 C ATOM 0 H VAL B 87 -0.714 5.657 -1.541 1.00 0.44 H new ATOM 0 HA VAL B 87 1.250 7.668 -0.923 1.00 0.46 H new ATOM 0 HB VAL B 87 1.286 5.034 -2.439 1.00 0.55 H new ATOM 0 HG11 VAL B 87 3.724 5.252 -2.587 1.00 1.01 H new ATOM 0 HG12 VAL B 87 2.885 6.516 -3.517 1.00 1.01 H new ATOM 0 HG13 VAL B 87 3.611 6.906 -1.940 1.00 1.01 H new ATOM 0 HG21 VAL B 87 2.713 4.325 -0.546 1.00 0.81 H new ATOM 0 HG22 VAL B 87 2.542 5.941 0.178 1.00 0.81 H new ATOM 0 HG23 VAL B 87 1.118 4.887 0.006 1.00 0.81 H new ATOM 2979 N ARG B 88 -0.241 7.751 -3.751 1.00 0.49 N ATOM 2980 CA ARG B 88 -0.333 8.463 -5.020 1.00 0.51 C ATOM 2981 C ARG B 88 -0.352 9.975 -4.802 1.00 0.50 C ATOM 2982 O ARG B 88 0.341 10.713 -5.503 1.00 0.58 O ATOM 2983 CB ARG B 88 -1.567 7.993 -5.790 1.00 0.56 C ATOM 2984 CG ARG B 88 -1.419 8.085 -7.301 1.00 0.67 C ATOM 2985 CD ARG B 88 -1.398 9.529 -7.775 1.00 1.33 C ATOM 2986 NE ARG B 88 -1.377 9.627 -9.232 1.00 1.83 N ATOM 2987 CZ ARG B 88 -1.665 10.739 -9.899 1.00 2.72 C ATOM 2988 NH1 ARG B 88 -1.994 11.842 -9.241 1.00 3.25 N ATOM 2989 NH2 ARG B 88 -1.623 10.750 -11.225 1.00 3.50 N ATOM 0 H ARG B 88 -1.075 7.222 -3.497 1.00 0.49 H new ATOM 0 HA ARG B 88 0.551 8.236 -5.615 1.00 0.51 H new ATOM 0 HB2 ARG B 88 -1.782 6.960 -5.518 1.00 0.56 H new ATOM 0 HB3 ARG B 88 -2.426 8.589 -5.481 1.00 0.56 H new ATOM 0 HG2 ARG B 88 -0.499 7.587 -7.608 1.00 0.67 H new ATOM 0 HG3 ARG B 88 -2.243 7.556 -7.781 1.00 0.67 H new ATOM 0 HD2 ARG B 88 -2.274 10.050 -7.389 1.00 1.33 H new ATOM 0 HD3 ARG B 88 -0.522 10.032 -7.365 1.00 1.33 H new ATOM 0 HE ARG B 88 -1.127 8.795 -9.767 1.00 1.83 H new ATOM 0 HH11 ARG B 88 -2.026 11.837 -8.222 1.00 3.25 H new ATOM 0 HH12 ARG B 88 -2.215 12.695 -9.754 1.00 3.25 H new ATOM 0 HH21 ARG B 88 -1.369 9.903 -11.734 1.00 3.50 H new ATOM 0 HH22 ARG B 88 -1.845 11.605 -11.735 1.00 3.50 H new ATOM 3003 N LYS B 89 -1.137 10.439 -3.835 1.00 0.47 N ATOM 3004 CA LYS B 89 -1.198 11.869 -3.534 1.00 0.49 C ATOM 3005 C LYS B 89 -0.014 12.270 -2.685 1.00 0.48 C ATOM 3006 O LYS B 89 0.536 13.362 -2.821 1.00 0.53 O ATOM 3007 CB LYS B 89 -2.470 12.229 -2.771 1.00 0.56 C ATOM 3008 CG LYS B 89 -2.674 11.431 -1.471 1.00 0.69 C ATOM 3009 CD LYS B 89 -3.500 10.155 -1.631 1.00 1.55 C ATOM 3010 CE LYS B 89 -4.529 10.208 -2.755 1.00 2.46 C ATOM 3011 NZ LYS B 89 -3.956 9.767 -4.056 1.00 3.29 N ATOM 0 H LYS B 89 -1.735 9.855 -3.251 1.00 0.47 H new ATOM 0 HA LYS B 89 -1.189 12.399 -4.486 1.00 0.49 H new ATOM 0 HB2 LYS B 89 -2.448 13.292 -2.532 1.00 0.56 H new ATOM 0 HB3 LYS B 89 -3.329 12.067 -3.422 1.00 0.56 H new ATOM 0 HG2 LYS B 89 -1.697 11.167 -1.065 1.00 0.69 H new ATOM 0 HG3 LYS B 89 -3.161 12.074 -0.738 1.00 0.69 H new ATOM 0 HD2 LYS B 89 -2.824 9.319 -1.813 1.00 1.55 H new ATOM 0 HD3 LYS B 89 -4.015 9.950 -0.693 1.00 1.55 H new ATOM 0 HE2 LYS B 89 -5.378 9.574 -2.499 1.00 2.46 H new ATOM 0 HE3 LYS B 89 -4.908 11.225 -2.852 1.00 2.46 H new ATOM 0 HZ1 LYS B 89 -4.726 9.590 -4.732 1.00 3.29 H new ATOM 0 HZ2 LYS B 89 -3.331 10.509 -4.430 1.00 3.29 H new ATOM 0 HZ3 LYS B 89 -3.410 8.893 -3.916 1.00 3.29 H new ATOM 3025 N GLU B 90 0.367 11.363 -1.806 1.00 0.47 N ATOM 3026 CA GLU B 90 1.459 11.592 -0.899 1.00 0.52 C ATOM 3027 C GLU B 90 2.750 11.809 -1.667 1.00 0.56 C ATOM 3028 O GLU B 90 3.714 12.352 -1.136 1.00 0.62 O ATOM 3029 CB GLU B 90 1.561 10.415 0.060 1.00 0.56 C ATOM 3030 CG GLU B 90 0.517 10.456 1.161 1.00 0.62 C ATOM 3031 CD GLU B 90 0.664 11.671 2.057 1.00 1.24 C ATOM 3032 OE1 GLU B 90 0.075 12.722 1.733 1.00 1.93 O ATOM 3033 OE2 GLU B 90 1.370 11.570 3.083 1.00 1.93 O ATOM 0 H GLU B 90 -0.076 10.450 -1.706 1.00 0.47 H new ATOM 0 HA GLU B 90 1.278 12.497 -0.319 1.00 0.52 H new ATOM 0 HB2 GLU B 90 1.454 9.486 -0.500 1.00 0.56 H new ATOM 0 HB3 GLU B 90 2.554 10.404 0.509 1.00 0.56 H new ATOM 0 HG2 GLU B 90 -0.477 10.456 0.714 1.00 0.62 H new ATOM 0 HG3 GLU B 90 0.595 9.552 1.765 1.00 0.62 H new ATOM 3040 N LYS B 91 2.763 11.396 -2.932 1.00 0.54 N ATOM 3041 CA LYS B 91 3.936 11.579 -3.764 1.00 0.61 C ATOM 3042 C LYS B 91 4.366 13.044 -3.738 1.00 0.63 C ATOM 3043 O LYS B 91 5.524 13.359 -3.465 1.00 0.70 O ATOM 3044 CB LYS B 91 3.656 11.116 -5.196 1.00 0.62 C ATOM 3045 CG LYS B 91 2.824 12.080 -6.024 1.00 0.61 C ATOM 3046 CD LYS B 91 2.546 11.524 -7.412 1.00 0.67 C ATOM 3047 CE LYS B 91 1.721 12.493 -8.245 1.00 0.70 C ATOM 3048 NZ LYS B 91 1.448 11.959 -9.608 1.00 1.38 N ATOM 0 H LYS B 91 1.979 10.937 -3.395 1.00 0.54 H new ATOM 0 HA LYS B 91 4.750 10.971 -3.369 1.00 0.61 H new ATOM 0 HB2 LYS B 91 4.607 10.951 -5.702 1.00 0.62 H new ATOM 0 HB3 LYS B 91 3.144 10.155 -5.159 1.00 0.62 H new ATOM 0 HG2 LYS B 91 1.881 12.279 -5.515 1.00 0.61 H new ATOM 0 HG3 LYS B 91 3.347 13.033 -6.110 1.00 0.61 H new ATOM 0 HD2 LYS B 91 3.489 11.319 -7.919 1.00 0.67 H new ATOM 0 HD3 LYS B 91 2.017 10.575 -7.326 1.00 0.67 H new ATOM 0 HE2 LYS B 91 0.777 12.695 -7.738 1.00 0.70 H new ATOM 0 HE3 LYS B 91 2.249 13.443 -8.326 1.00 0.70 H new ATOM 0 HZ1 LYS B 91 0.827 12.617 -10.121 1.00 1.38 H new ATOM 0 HZ2 LYS B 91 2.344 11.854 -10.125 1.00 1.38 H new ATOM 0 HZ3 LYS B 91 0.982 11.033 -9.531 1.00 1.38 H new ATOM 3062 N ALA B 92 3.418 13.930 -4.025 1.00 0.60 N ATOM 3063 CA ALA B 92 3.681 15.367 -4.026 1.00 0.65 C ATOM 3064 C ALA B 92 3.565 15.977 -2.631 1.00 0.63 C ATOM 3065 O ALA B 92 4.072 17.068 -2.385 1.00 0.69 O ATOM 3066 CB ALA B 92 2.744 16.071 -4.995 1.00 0.73 C ATOM 0 H ALA B 92 2.458 13.679 -4.261 1.00 0.60 H new ATOM 0 HA ALA B 92 4.711 15.510 -4.353 1.00 0.65 H new ATOM 0 HB1 ALA B 92 2.949 17.141 -4.987 1.00 0.73 H new ATOM 0 HB2 ALA B 92 2.899 15.679 -6.000 1.00 0.73 H new ATOM 0 HB3 ALA B 92 1.711 15.898 -4.693 1.00 0.73 H new ATOM 3072 N LEU B 93 2.872 15.293 -1.726 1.00 0.62 N ATOM 3073 CA LEU B 93 2.705 15.803 -0.369 1.00 0.65 C ATOM 3074 C LEU B 93 3.934 15.508 0.484 1.00 0.59 C ATOM 3075 O LEU B 93 4.339 16.328 1.309 1.00 0.63 O ATOM 3076 CB LEU B 93 1.455 15.217 0.285 1.00 0.74 C ATOM 3077 CG LEU B 93 0.825 16.101 1.363 1.00 0.81 C ATOM 3078 CD1 LEU B 93 -0.657 15.793 1.507 1.00 1.03 C ATOM 3079 CD2 LEU B 93 1.541 15.911 2.691 1.00 0.95 C ATOM 0 H LEU B 93 2.422 14.395 -1.904 1.00 0.62 H new ATOM 0 HA LEU B 93 2.586 16.884 -0.436 1.00 0.65 H new ATOM 0 HB2 LEU B 93 0.712 15.026 -0.489 1.00 0.74 H new ATOM 0 HB3 LEU B 93 1.710 14.254 0.727 1.00 0.74 H new ATOM 0 HG LEU B 93 0.931 17.143 1.060 1.00 0.81 H new ATOM 0 HD11 LEU B 93 -1.088 16.431 2.278 1.00 1.03 H new ATOM 0 HD12 LEU B 93 -1.161 15.979 0.559 1.00 1.03 H new ATOM 0 HD13 LEU B 93 -0.786 14.748 1.788 1.00 1.03 H new ATOM 0 HD21 LEU B 93 1.080 16.547 3.447 1.00 0.95 H new ATOM 0 HD22 LEU B 93 1.465 14.868 2.999 1.00 0.95 H new ATOM 0 HD23 LEU B 93 2.591 16.181 2.580 1.00 0.95 H new ATOM 3091 N GLY B 94 4.528 14.334 0.279 1.00 0.53 N ATOM 3092 CA GLY B 94 5.714 13.954 1.033 1.00 0.51 C ATOM 3093 C GLY B 94 6.718 15.082 1.128 1.00 0.52 C ATOM 3094 O GLY B 94 7.309 15.321 2.182 1.00 0.57 O ATOM 0 H GLY B 94 4.210 13.638 -0.396 1.00 0.53 H new ATOM 0 HA2 GLY B 94 5.421 13.646 2.037 1.00 0.51 H new ATOM 0 HA3 GLY B 94 6.183 13.092 0.559 1.00 0.51 H new ATOM 3098 N ILE B 95 6.905 15.769 0.013 1.00 0.53 N ATOM 3099 CA ILE B 95 7.828 16.883 -0.060 1.00 0.57 C ATOM 3100 C ILE B 95 7.341 18.042 0.784 1.00 0.60 C ATOM 3101 O ILE B 95 6.917 19.074 0.266 1.00 0.67 O ATOM 3102 CB ILE B 95 8.019 17.345 -1.517 1.00 0.63 C ATOM 3103 CG1 ILE B 95 8.894 18.601 -1.597 1.00 1.32 C ATOM 3104 CG2 ILE B 95 6.671 17.581 -2.166 1.00 1.13 C ATOM 3105 CD1 ILE B 95 9.511 18.818 -2.961 1.00 1.68 C ATOM 0 H ILE B 95 6.422 15.569 -0.863 1.00 0.53 H new ATOM 0 HA ILE B 95 8.788 16.542 0.329 1.00 0.57 H new ATOM 0 HB ILE B 95 8.537 16.555 -2.061 1.00 0.63 H new ATOM 0 HG12 ILE B 95 8.292 19.471 -1.336 1.00 1.32 H new ATOM 0 HG13 ILE B 95 9.689 18.529 -0.854 1.00 1.32 H new ATOM 0 HG21 ILE B 95 6.815 17.907 -3.196 1.00 1.13 H new ATOM 0 HG22 ILE B 95 6.095 16.655 -2.156 1.00 1.13 H new ATOM 0 HG23 ILE B 95 6.131 18.350 -1.614 1.00 1.13 H new ATOM 0 HD11 ILE B 95 10.117 19.724 -2.946 1.00 1.68 H new ATOM 0 HD12 ILE B 95 10.140 17.965 -3.216 1.00 1.68 H new ATOM 0 HD13 ILE B 95 8.721 18.922 -3.705 1.00 1.68 H new ATOM 3117 N ARG B 96 7.393 17.867 2.091 1.00 0.64 N ATOM 3118 CA ARG B 96 6.965 18.920 2.987 1.00 0.74 C ATOM 3119 C ARG B 96 7.803 20.174 2.755 1.00 0.82 C ATOM 3120 O ARG B 96 7.402 21.278 3.122 1.00 0.93 O ATOM 3121 CB ARG B 96 7.062 18.476 4.440 1.00 0.84 C ATOM 3122 CG ARG B 96 5.960 19.068 5.288 1.00 1.65 C ATOM 3123 CD ARG B 96 4.678 18.262 5.173 1.00 2.45 C ATOM 3124 NE ARG B 96 3.569 18.899 5.881 1.00 2.91 N ATOM 3125 CZ ARG B 96 2.359 18.362 5.998 1.00 3.85 C ATOM 3126 NH1 ARG B 96 2.100 17.182 5.452 1.00 4.47 N ATOM 3127 NH2 ARG B 96 1.408 19.004 6.662 1.00 4.48 N ATOM 0 H ARG B 96 7.723 17.018 2.549 1.00 0.64 H new ATOM 0 HA ARG B 96 5.920 19.147 2.776 1.00 0.74 H new ATOM 0 HB2 ARG B 96 7.014 17.388 4.491 1.00 0.84 H new ATOM 0 HB3 ARG B 96 8.030 18.771 4.845 1.00 0.84 H new ATOM 0 HG2 ARG B 96 6.279 19.101 6.330 1.00 1.65 H new ATOM 0 HG3 ARG B 96 5.774 20.097 4.979 1.00 1.65 H new ATOM 0 HD2 ARG B 96 4.417 18.143 4.121 1.00 2.45 H new ATOM 0 HD3 ARG B 96 4.840 17.262 5.576 1.00 2.45 H new ATOM 0 HE ARG B 96 3.734 19.809 6.311 1.00 2.91 H new ATOM 0 HH11 ARG B 96 2.830 16.685 4.941 1.00 4.47 H new ATOM 0 HH12 ARG B 96 1.171 16.771 5.543 1.00 4.47 H new ATOM 0 HH21 ARG B 96 1.604 19.912 7.084 1.00 4.48 H new ATOM 0 HH22 ARG B 96 0.480 18.590 6.751 1.00 4.48 H new ATOM 3141 N LYS B 97 8.973 19.991 2.140 1.00 0.82 N ATOM 3142 CA LYS B 97 9.854 21.115 1.832 1.00 0.94 C ATOM 3143 C LYS B 97 9.437 21.741 0.509 1.00 0.93 C ATOM 3144 O LYS B 97 10.009 21.445 -0.541 1.00 0.98 O ATOM 3145 CB LYS B 97 11.334 20.684 1.761 1.00 1.07 C ATOM 3146 CG LYS B 97 11.553 19.189 1.560 1.00 1.00 C ATOM 3147 CD LYS B 97 11.370 18.434 2.866 1.00 1.56 C ATOM 3148 CE LYS B 97 11.139 16.950 2.636 1.00 1.83 C ATOM 3149 NZ LYS B 97 11.340 16.165 3.886 1.00 2.90 N ATOM 0 H LYS B 97 9.329 19.081 1.848 1.00 0.82 H new ATOM 0 HA LYS B 97 9.760 21.844 2.637 1.00 0.94 H new ATOM 0 HB2 LYS B 97 11.816 21.221 0.944 1.00 1.07 H new ATOM 0 HB3 LYS B 97 11.832 20.990 2.681 1.00 1.07 H new ATOM 0 HG2 LYS B 97 10.852 18.811 0.816 1.00 1.00 H new ATOM 0 HG3 LYS B 97 12.556 19.013 1.171 1.00 1.00 H new ATOM 0 HD2 LYS B 97 12.252 18.571 3.491 1.00 1.56 H new ATOM 0 HD3 LYS B 97 10.524 18.853 3.412 1.00 1.56 H new ATOM 0 HE2 LYS B 97 10.126 16.792 2.265 1.00 1.83 H new ATOM 0 HE3 LYS B 97 11.821 16.590 1.866 1.00 1.83 H new ATOM 0 HZ1 LYS B 97 11.158 15.159 3.697 1.00 2.90 H new ATOM 0 HZ2 LYS B 97 12.319 16.284 4.217 1.00 2.90 H new ATOM 0 HZ3 LYS B 97 10.684 16.504 4.618 1.00 2.90 H new ATOM 3163 N LYS B 98 8.430 22.601 0.571 1.00 0.96 N ATOM 3164 CA LYS B 98 7.922 23.276 -0.614 1.00 1.06 C ATOM 3165 C LYS B 98 8.232 24.770 -0.574 1.00 1.21 C ATOM 3166 O LYS B 98 7.404 25.530 -0.027 1.00 1.61 O ATOM 3167 CB LYS B 98 6.415 23.046 -0.742 1.00 1.07 C ATOM 3168 CG LYS B 98 6.060 21.745 -1.444 1.00 1.07 C ATOM 3169 CD LYS B 98 6.314 21.844 -2.938 1.00 1.52 C ATOM 3170 CE LYS B 98 6.373 20.473 -3.583 1.00 2.00 C ATOM 3171 NZ LYS B 98 5.114 19.704 -3.372 1.00 2.73 N ATOM 3172 OXT LYS B 98 9.299 25.166 -1.087 1.00 1.70 O ATOM 0 H LYS B 98 7.947 22.848 1.435 1.00 0.96 H new ATOM 0 HA LYS B 98 8.421 22.855 -1.487 1.00 1.06 H new ATOM 0 HB2 LYS B 98 5.969 23.047 0.253 1.00 1.07 H new ATOM 0 HB3 LYS B 98 5.973 23.878 -1.290 1.00 1.07 H new ATOM 0 HG2 LYS B 98 6.649 20.929 -1.025 1.00 1.07 H new ATOM 0 HG3 LYS B 98 5.012 21.506 -1.265 1.00 1.07 H new ATOM 0 HD2 LYS B 98 5.524 22.433 -3.404 1.00 1.52 H new ATOM 0 HD3 LYS B 98 7.252 22.371 -3.115 1.00 1.52 H new ATOM 0 HE2 LYS B 98 6.557 20.582 -4.652 1.00 2.00 H new ATOM 0 HE3 LYS B 98 7.213 19.914 -3.171 1.00 2.00 H new ATOM 0 HZ1 LYS B 98 5.220 18.749 -3.769 1.00 2.73 H new ATOM 0 HZ2 LYS B 98 4.916 19.635 -2.353 1.00 2.73 H new ATOM 0 HZ3 LYS B 98 4.326 20.191 -3.846 1.00 2.73 H new