USER MOD reduce.3.24.130724 H: found=0, std=0, add=1614, rem=0, adj=49 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: A 7 THR OG1 : rot 51:sc= -0.564 USER MOD Set 1.2: B 85 LYS NZ :NH3+ 149:sc= -0.418 (180deg=-3.07) USER MOD Set 2.1: A 15 THR OG1 : rot 143:sc= 0.355 USER MOD Set 2.2: B 15 THR OG1 : rot -150:sc= 0.333 USER MOD Set 3.1: A 48 HIS : no HE2:sc= -10.7! C(o=-14!,f=-16!) USER MOD Set 3.2: B 5 THR OG1 : rot 81:sc= -3.49! USER MOD Set 4.1: A 85 LYS NZ :NH3+ 144:sc= -0.411 (180deg=-4.64) USER MOD Set 4.2: B 7 THR OG1 : rot 52:sc= -0.821 USER MOD Set 5.1: A 59 LYS NZ :NH3+ -166:sc= 0 (180deg=0) USER MOD Set 5.2: B 1 MET CE :methyl 143:sc= -2.39 (180deg=-6.01!) USER MOD Set 6.1: A 5 THR OG1 : rot 81:sc= -3.89! USER MOD Set 6.2: B 48 HIS : no HE2:sc= -10.2! C(o=-14!,f=-18!) USER MOD Set 7.1: A 1 MET CE :methyl -108:sc= -3.43! (180deg=-9.42!) USER MOD Set 7.2: B 59 LYS NZ :NH3+ 180:sc= -0.0369 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -166:sc= -2.74! (180deg=-3.15!) USER MOD Single : A 18 SER OG : rot -24:sc= 0.856 USER MOD Single : A 19 THR OG1 : rot -59:sc= -1 USER MOD Single : A 22 THR OG1 : rot -94:sc= 0.961 USER MOD Single : A 30 LYS NZ :NH3+ -176:sc= 0.0818 (180deg=0.0764) USER MOD Single : A 32 SER OG : rot 155:sc= 0.144 USER MOD Single : A 34 ASN : amide:sc= -2.51 K(o=-2.5,f=-8!) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 39 LYS NZ :NH3+ -165:sc= -1.89! (180deg=-2.2!) USER MOD Single : A 43 THR OG1 : rot -98:sc= -1.85! USER MOD Single : A 44 GLN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 45 GLN : amide:sc= -6.56! C(o=-6.6!,f=-9.5!) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 60 MET CE :methyl 160:sc= -0.143 (180deg=-0.755) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 66:sc= -0.699 USER MOD Single : A 66 ASN : amide:sc= -5.11! C(o=-5.1!,f=-6.3!) USER MOD Single : A 67 GLN : amide:sc= -10.4! C(o=-10!,f=-5!) USER MOD Single : A 69 SER OG : rot 160:sc= -0.455 USER MOD Single : A 74 SER OG : rot 180:sc= -0.374 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ -165:sc= -0.167 (180deg=-0.629) USER MOD Single : A 91 LYS NZ :NH3+ 161:sc= -0.0834 (180deg=-0.44) USER MOD Single : A 97 LYS NZ :NH3+ -171:sc= 0.00927 (180deg=0.00495) USER MOD Single : A 98 LYS NZ :NH3+ 169:sc= 0.891 (180deg=0.501) USER MOD Single : B 1 MET N :NH3+ -164:sc= -2.03 (180deg=-2.49) USER MOD Single : B 18 SER OG : rot -19:sc= 0.608 USER MOD Single : B 19 THR OG1 : rot -62:sc= -1.36 USER MOD Single : B 22 THR OG1 : rot -90:sc= 1.04 USER MOD Single : B 30 LYS NZ :NH3+ -179:sc= 0.0822 (180deg=0.0821) USER MOD Single : B 32 SER OG : rot 153:sc= 0.137 USER MOD Single : B 34 ASN : amide:sc= -2.81 K(o=-2.8,f=-8.4!) USER MOD Single : B 36 ASN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : B 39 LYS NZ :NH3+ -167:sc= -1.97! (180deg=-2.16!) USER MOD Single : B 43 THR OG1 : rot -96:sc= -2.04! USER MOD Single : B 44 GLN : amide:sc= 0 K(o=0,f=-0.81) USER MOD Single : B 45 GLN : amide:sc= -5.63! C(o=-5.6!,f=-9.9!) USER MOD Single : B 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 55 SER OG : rot 180:sc= 0 USER MOD Single : B 60 MET CE :methyl 144:sc= -0.206 (180deg=-0.792) USER MOD Single : B 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 62 THR OG1 : rot 67:sc= -0.366 USER MOD Single : B 66 ASN : amide:sc= -5.06! C(o=-5.1!,f=-6.8!) USER MOD Single : B 67 GLN : amide:sc= -8.27! C(o=-8.3!,f=-4.5!) USER MOD Single : B 69 SER OG : rot 160:sc= -0.336 USER MOD Single : B 74 SER OG : rot 180:sc= -0.668 USER MOD Single : B 76 TYR OH : rot 180:sc= 0 USER MOD Single : B 89 LYS NZ :NH3+ -169:sc= 0.00803 (180deg=-0.227) USER MOD Single : B 91 LYS NZ :NH3+ 161:sc= -0.0743 (180deg=-0.401) USER MOD Single : B 97 LYS NZ :NH3+ -169:sc= 0.068 (180deg=0.0389) USER MOD Single : B 98 LYS NZ :NH3+ 167:sc= 1 (180deg=0.737) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -18.391 4.287 -2.921 1.00 0.64 N ATOM 2 CA MET A 1 -17.732 5.604 -3.112 1.00 0.59 C ATOM 3 C MET A 1 -16.355 5.431 -3.717 1.00 0.60 C ATOM 4 O MET A 1 -15.915 4.315 -3.991 1.00 0.61 O ATOM 5 CB MET A 1 -17.588 6.361 -1.786 1.00 0.57 C ATOM 6 CG MET A 1 -18.723 7.360 -1.509 1.00 0.61 C ATOM 7 SD MET A 1 -20.363 6.753 -1.995 1.00 0.96 S ATOM 8 CE MET A 1 -21.392 8.186 -1.691 1.00 1.17 C ATOM 0 H1 MET A 1 -19.404 4.430 -2.734 1.00 0.64 H new ATOM 0 H2 MET A 1 -18.275 3.713 -3.780 1.00 0.64 H new ATOM 0 H3 MET A 1 -17.956 3.795 -2.115 1.00 0.64 H new ATOM 0 HA MET A 1 -18.367 6.180 -3.785 1.00 0.59 H new ATOM 0 HB2 MET A 1 -17.546 5.639 -0.970 1.00 0.57 H new ATOM 0 HB3 MET A 1 -16.639 6.897 -1.787 1.00 0.57 H new ATOM 0 HG2 MET A 1 -18.734 7.598 -0.445 1.00 0.61 H new ATOM 0 HG3 MET A 1 -18.516 8.288 -2.042 1.00 0.61 H new ATOM 0 HE1 MET A 1 -22.013 8.008 -0.813 1.00 1.17 H new ATOM 0 HE2 MET A 1 -20.760 9.057 -1.518 1.00 1.17 H new ATOM 0 HE3 MET A 1 -22.030 8.366 -2.556 1.00 1.17 H new ATOM 20 N ALA A 2 -15.677 6.549 -3.923 1.00 0.62 N ATOM 21 CA ALA A 2 -14.346 6.518 -4.489 1.00 0.65 C ATOM 22 C ALA A 2 -13.298 6.929 -3.478 1.00 0.62 C ATOM 23 O ALA A 2 -13.596 7.563 -2.467 1.00 0.72 O ATOM 24 CB ALA A 2 -14.255 7.405 -5.720 1.00 0.73 C ATOM 0 H ALA A 2 -16.027 7.482 -3.707 1.00 0.62 H new ATOM 0 HA ALA A 2 -14.149 5.487 -4.783 1.00 0.65 H new ATOM 0 HB1 ALA A 2 -13.244 7.363 -6.125 1.00 0.73 H new ATOM 0 HB2 ALA A 2 -14.962 7.056 -6.473 1.00 0.73 H new ATOM 0 HB3 ALA A 2 -14.494 8.433 -5.446 1.00 0.73 H new ATOM 30 N ALA A 3 -12.067 6.547 -3.755 1.00 0.73 N ATOM 31 CA ALA A 3 -10.962 6.898 -2.897 1.00 0.76 C ATOM 32 C ALA A 3 -10.395 8.239 -3.320 1.00 0.66 C ATOM 33 O ALA A 3 -9.408 8.307 -4.051 1.00 0.81 O ATOM 34 CB ALA A 3 -9.893 5.826 -2.948 1.00 1.06 C ATOM 0 H ALA A 3 -11.810 5.992 -4.571 1.00 0.73 H new ATOM 0 HA ALA A 3 -11.317 6.973 -1.869 1.00 0.76 H new ATOM 0 HB1 ALA A 3 -9.066 6.106 -2.295 1.00 1.06 H new ATOM 0 HB2 ALA A 3 -10.313 4.877 -2.615 1.00 1.06 H new ATOM 0 HB3 ALA A 3 -9.529 5.723 -3.970 1.00 1.06 H new ATOM 40 N GLU A 4 -11.031 9.305 -2.859 1.00 0.63 N ATOM 41 CA GLU A 4 -10.571 10.648 -3.196 1.00 0.75 C ATOM 42 C GLU A 4 -9.204 10.857 -2.569 1.00 0.74 C ATOM 43 O GLU A 4 -8.183 10.605 -3.209 1.00 0.85 O ATOM 44 CB GLU A 4 -11.557 11.748 -2.748 1.00 0.97 C ATOM 45 CG GLU A 4 -12.682 11.291 -1.826 1.00 1.44 C ATOM 46 CD GLU A 4 -12.179 10.721 -0.515 1.00 2.42 C ATOM 47 OE1 GLU A 4 -11.684 11.505 0.319 1.00 3.03 O ATOM 48 OE2 GLU A 4 -12.266 9.490 -0.333 1.00 3.20 O ATOM 0 H GLU A 4 -11.855 9.271 -2.259 1.00 0.63 H new ATOM 0 HA GLU A 4 -10.509 10.730 -4.281 1.00 0.75 H new ATOM 0 HB2 GLU A 4 -10.993 12.532 -2.242 1.00 0.97 H new ATOM 0 HB3 GLU A 4 -12.000 12.197 -3.637 1.00 0.97 H new ATOM 0 HG2 GLU A 4 -13.341 12.135 -1.620 1.00 1.44 H new ATOM 0 HG3 GLU A 4 -13.280 10.537 -2.338 1.00 1.44 H new ATOM 55 N THR A 5 -9.165 11.311 -1.328 1.00 0.69 N ATOM 56 CA THR A 5 -7.897 11.486 -0.652 1.00 0.74 C ATOM 57 C THR A 5 -7.339 10.149 -0.144 1.00 0.61 C ATOM 58 O THR A 5 -7.732 9.083 -0.616 1.00 0.78 O ATOM 59 CB THR A 5 -8.023 12.441 0.530 1.00 0.93 C ATOM 60 OG1 THR A 5 -9.147 13.307 0.341 1.00 1.43 O ATOM 61 CG2 THR A 5 -6.741 13.241 0.656 1.00 1.09 C ATOM 0 H THR A 5 -9.986 11.561 -0.777 1.00 0.69 H new ATOM 0 HA THR A 5 -7.212 11.907 -1.388 1.00 0.74 H new ATOM 0 HB THR A 5 -8.182 11.877 1.449 1.00 0.93 H new ATOM 0 HG1 THR A 5 -9.968 12.838 0.599 1.00 1.43 H new ATOM 0 HG21 THR A 5 -6.822 13.927 1.499 1.00 1.09 H new ATOM 0 HG22 THR A 5 -5.903 12.563 0.819 1.00 1.09 H new ATOM 0 HG23 THR A 5 -6.575 13.809 -0.259 1.00 1.09 H new ATOM 69 N LEU A 6 -6.417 10.222 0.821 1.00 0.54 N ATOM 70 CA LEU A 6 -5.806 9.046 1.415 1.00 0.50 C ATOM 71 C LEU A 6 -6.824 8.262 2.213 1.00 0.49 C ATOM 72 O LEU A 6 -7.312 8.730 3.242 1.00 0.56 O ATOM 73 CB LEU A 6 -4.643 9.453 2.340 1.00 0.61 C ATOM 74 CG LEU A 6 -5.032 10.153 3.654 1.00 0.75 C ATOM 75 CD1 LEU A 6 -3.796 10.601 4.411 1.00 1.15 C ATOM 76 CD2 LEU A 6 -5.955 11.337 3.423 1.00 1.07 C ATOM 0 H LEU A 6 -6.078 11.103 1.207 1.00 0.54 H new ATOM 0 HA LEU A 6 -5.425 8.422 0.607 1.00 0.50 H new ATOM 0 HB2 LEU A 6 -4.071 8.558 2.585 1.00 0.61 H new ATOM 0 HB3 LEU A 6 -3.978 10.114 1.784 1.00 0.61 H new ATOM 0 HG LEU A 6 -5.575 9.421 4.252 1.00 0.75 H new ATOM 0 HD11 LEU A 6 -4.095 11.093 5.336 1.00 1.15 H new ATOM 0 HD12 LEU A 6 -3.178 9.734 4.644 1.00 1.15 H new ATOM 0 HD13 LEU A 6 -3.226 11.298 3.797 1.00 1.15 H new ATOM 0 HD21 LEU A 6 -6.202 11.798 4.379 1.00 1.07 H new ATOM 0 HD22 LEU A 6 -5.457 12.068 2.785 1.00 1.07 H new ATOM 0 HD23 LEU A 6 -6.870 10.996 2.938 1.00 1.07 H new ATOM 88 N THR A 7 -7.160 7.074 1.733 1.00 0.50 N ATOM 89 CA THR A 7 -8.104 6.240 2.446 1.00 0.54 C ATOM 90 C THR A 7 -7.556 5.954 3.825 1.00 0.48 C ATOM 91 O THR A 7 -6.370 6.154 4.060 1.00 0.54 O ATOM 92 CB THR A 7 -8.378 4.904 1.725 1.00 0.62 C ATOM 93 OG1 THR A 7 -7.341 4.639 0.773 1.00 0.85 O ATOM 94 CG2 THR A 7 -9.728 4.914 1.025 1.00 0.83 C ATOM 0 H THR A 7 -6.798 6.674 0.867 1.00 0.50 H new ATOM 0 HA THR A 7 -9.049 6.781 2.500 1.00 0.54 H new ATOM 0 HB THR A 7 -8.394 4.116 2.478 1.00 0.62 H new ATOM 0 HG1 THR A 7 -6.467 4.728 1.208 1.00 0.85 H new ATOM 0 HG21 THR A 7 -9.887 3.957 0.528 1.00 0.83 H new ATOM 0 HG22 THR A 7 -10.517 5.077 1.759 1.00 0.83 H new ATOM 0 HG23 THR A 7 -9.749 5.715 0.286 1.00 0.83 H new ATOM 102 N GLU A 8 -8.399 5.457 4.725 1.00 0.45 N ATOM 103 CA GLU A 8 -7.967 5.151 6.094 1.00 0.44 C ATOM 104 C GLU A 8 -6.588 4.492 6.113 1.00 0.41 C ATOM 105 O GLU A 8 -5.853 4.590 7.096 1.00 0.42 O ATOM 106 CB GLU A 8 -8.969 4.247 6.802 1.00 0.50 C ATOM 107 CG GLU A 8 -10.411 4.727 6.713 1.00 0.52 C ATOM 108 CD GLU A 8 -10.601 6.113 7.295 1.00 1.09 C ATOM 109 OE1 GLU A 8 -10.816 6.218 8.521 1.00 1.94 O ATOM 110 OE2 GLU A 8 -10.534 7.094 6.526 1.00 1.67 O ATOM 0 H GLU A 8 -9.381 5.257 4.537 1.00 0.45 H new ATOM 0 HA GLU A 8 -7.909 6.101 6.625 1.00 0.44 H new ATOM 0 HB2 GLU A 8 -8.904 3.246 6.375 1.00 0.50 H new ATOM 0 HB3 GLU A 8 -8.689 4.165 7.852 1.00 0.50 H new ATOM 0 HG2 GLU A 8 -10.726 4.729 5.669 1.00 0.52 H new ATOM 0 HG3 GLU A 8 -11.057 4.024 7.239 1.00 0.52 H new ATOM 117 N LEU A 9 -6.245 3.821 5.015 1.00 0.41 N ATOM 118 CA LEU A 9 -4.955 3.168 4.878 1.00 0.40 C ATOM 119 C LEU A 9 -3.838 4.136 5.251 1.00 0.38 C ATOM 120 O LEU A 9 -2.752 3.731 5.662 1.00 0.39 O ATOM 121 CB LEU A 9 -4.790 2.715 3.435 1.00 0.45 C ATOM 122 CG LEU A 9 -6.043 2.126 2.787 1.00 0.57 C ATOM 123 CD1 LEU A 9 -5.699 1.389 1.509 1.00 0.93 C ATOM 124 CD2 LEU A 9 -6.780 1.224 3.760 1.00 0.92 C ATOM 0 H LEU A 9 -6.853 3.718 4.203 1.00 0.41 H new ATOM 0 HA LEU A 9 -4.904 2.307 5.545 1.00 0.40 H new ATOM 0 HB2 LEU A 9 -4.459 3.566 2.840 1.00 0.45 H new ATOM 0 HB3 LEU A 9 -3.996 1.970 3.394 1.00 0.45 H new ATOM 0 HG LEU A 9 -6.707 2.949 2.525 1.00 0.57 H new ATOM 0 HD11 LEU A 9 -6.608 0.980 1.069 1.00 0.93 H new ATOM 0 HD12 LEU A 9 -5.234 2.079 0.805 1.00 0.93 H new ATOM 0 HD13 LEU A 9 -5.007 0.577 1.732 1.00 0.93 H new ATOM 0 HD21 LEU A 9 -7.668 0.816 3.277 1.00 0.92 H new ATOM 0 HD22 LEU A 9 -6.126 0.407 4.066 1.00 0.92 H new ATOM 0 HD23 LEU A 9 -7.076 1.800 4.637 1.00 0.92 H new ATOM 136 N GLU A 10 -4.129 5.426 5.098 1.00 0.38 N ATOM 137 CA GLU A 10 -3.200 6.490 5.459 1.00 0.39 C ATOM 138 C GLU A 10 -2.630 6.215 6.835 1.00 0.38 C ATOM 139 O GLU A 10 -1.425 6.248 7.051 1.00 0.40 O ATOM 140 CB GLU A 10 -3.935 7.821 5.455 1.00 0.46 C ATOM 141 CG GLU A 10 -5.374 7.729 5.949 1.00 0.45 C ATOM 142 CD GLU A 10 -5.662 8.668 7.103 1.00 0.56 C ATOM 143 OE1 GLU A 10 -5.445 8.266 8.265 1.00 1.16 O ATOM 144 OE2 GLU A 10 -6.105 9.808 6.845 1.00 1.27 O ATOM 0 H GLU A 10 -5.015 5.761 4.720 1.00 0.38 H new ATOM 0 HA GLU A 10 -2.384 6.529 4.737 1.00 0.39 H new ATOM 0 HB2 GLU A 10 -3.390 8.528 6.080 1.00 0.46 H new ATOM 0 HB3 GLU A 10 -3.933 8.224 4.442 1.00 0.46 H new ATOM 0 HG2 GLU A 10 -6.051 7.955 5.125 1.00 0.45 H new ATOM 0 HG3 GLU A 10 -5.581 6.705 6.260 1.00 0.45 H new ATOM 151 N ALA A 11 -3.525 5.938 7.762 1.00 0.39 N ATOM 152 CA ALA A 11 -3.131 5.599 9.125 1.00 0.39 C ATOM 153 C ALA A 11 -2.125 4.458 9.100 1.00 0.36 C ATOM 154 O ALA A 11 -1.192 4.416 9.901 1.00 0.39 O ATOM 155 CB ALA A 11 -4.346 5.219 9.958 1.00 0.42 C ATOM 0 H ALA A 11 -4.532 5.940 7.601 1.00 0.39 H new ATOM 0 HA ALA A 11 -2.667 6.472 9.584 1.00 0.39 H new ATOM 0 HB1 ALA A 11 -4.029 4.970 10.971 1.00 0.42 H new ATOM 0 HB2 ALA A 11 -5.041 6.058 9.991 1.00 0.42 H new ATOM 0 HB3 ALA A 11 -4.839 4.357 9.510 1.00 0.42 H new ATOM 161 N ALA A 12 -2.327 3.533 8.166 1.00 0.33 N ATOM 162 CA ALA A 12 -1.421 2.408 8.005 1.00 0.33 C ATOM 163 C ALA A 12 -0.079 2.896 7.482 1.00 0.33 C ATOM 164 O ALA A 12 0.949 2.246 7.675 1.00 0.34 O ATOM 165 CB ALA A 12 -2.020 1.364 7.072 1.00 0.34 C ATOM 0 H ALA A 12 -3.110 3.543 7.512 1.00 0.33 H new ATOM 0 HA ALA A 12 -1.267 1.938 8.976 1.00 0.33 H new ATOM 0 HB1 ALA A 12 -1.326 0.530 6.965 1.00 0.34 H new ATOM 0 HB2 ALA A 12 -2.961 1.002 7.487 1.00 0.34 H new ATOM 0 HB3 ALA A 12 -2.203 1.811 6.095 1.00 0.34 H new ATOM 171 N ILE A 13 -0.095 4.052 6.813 1.00 0.36 N ATOM 172 CA ILE A 13 1.123 4.638 6.281 1.00 0.40 C ATOM 173 C ILE A 13 2.175 4.730 7.388 1.00 0.39 C ATOM 174 O ILE A 13 3.375 4.631 7.137 1.00 0.42 O ATOM 175 CB ILE A 13 0.857 6.035 5.643 1.00 0.47 C ATOM 176 CG1 ILE A 13 1.778 6.248 4.442 1.00 0.90 C ATOM 177 CG2 ILE A 13 1.023 7.184 6.643 1.00 0.99 C ATOM 178 CD1 ILE A 13 3.246 6.293 4.799 1.00 2.05 C ATOM 0 H ILE A 13 -0.939 4.594 6.631 1.00 0.36 H new ATOM 0 HA ILE A 13 1.498 3.993 5.487 1.00 0.40 H new ATOM 0 HB ILE A 13 -0.183 6.043 5.317 1.00 0.47 H new ATOM 0 HG12 ILE A 13 1.613 5.446 3.723 1.00 0.90 H new ATOM 0 HG13 ILE A 13 1.505 7.180 3.948 1.00 0.90 H new ATOM 0 HG21 ILE A 13 0.826 8.132 6.143 1.00 0.99 H new ATOM 0 HG22 ILE A 13 0.320 7.054 7.466 1.00 0.99 H new ATOM 0 HG23 ILE A 13 2.041 7.184 7.032 1.00 0.99 H new ATOM 0 HD11 ILE A 13 3.836 6.447 3.895 1.00 2.05 H new ATOM 0 HD12 ILE A 13 3.426 7.113 5.494 1.00 2.05 H new ATOM 0 HD13 ILE A 13 3.536 5.352 5.266 1.00 2.05 H new ATOM 190 N GLU A 14 1.689 4.912 8.618 1.00 0.39 N ATOM 191 CA GLU A 14 2.548 5.026 9.790 1.00 0.42 C ATOM 192 C GLU A 14 3.343 3.747 10.023 1.00 0.38 C ATOM 193 O GLU A 14 4.507 3.800 10.420 1.00 0.46 O ATOM 194 CB GLU A 14 1.711 5.350 11.028 1.00 0.46 C ATOM 195 CG GLU A 14 0.942 6.656 10.919 1.00 0.79 C ATOM 196 CD GLU A 14 0.119 6.953 12.157 1.00 1.46 C ATOM 197 OE1 GLU A 14 -1.042 6.496 12.222 1.00 2.25 O ATOM 198 OE2 GLU A 14 0.635 7.643 13.062 1.00 2.02 O ATOM 0 H GLU A 14 0.693 4.984 8.825 1.00 0.39 H new ATOM 0 HA GLU A 14 3.254 5.836 9.608 1.00 0.42 H new ATOM 0 HB2 GLU A 14 1.006 4.537 11.203 1.00 0.46 H new ATOM 0 HB3 GLU A 14 2.367 5.396 11.898 1.00 0.46 H new ATOM 0 HG2 GLU A 14 1.643 7.473 10.749 1.00 0.79 H new ATOM 0 HG3 GLU A 14 0.284 6.615 10.051 1.00 0.79 H new ATOM 205 N THR A 15 2.719 2.597 9.788 1.00 0.30 N ATOM 206 CA THR A 15 3.415 1.327 9.980 1.00 0.28 C ATOM 207 C THR A 15 4.438 1.116 8.873 1.00 0.29 C ATOM 208 O THR A 15 5.634 0.974 9.125 1.00 0.35 O ATOM 209 CB THR A 15 2.449 0.127 9.991 1.00 0.28 C ATOM 210 OG1 THR A 15 1.440 0.306 10.991 1.00 0.29 O ATOM 211 CG2 THR A 15 3.208 -1.165 10.259 1.00 0.32 C ATOM 0 H THR A 15 1.753 2.516 9.471 1.00 0.30 H new ATOM 0 HA THR A 15 3.907 1.382 10.951 1.00 0.28 H new ATOM 0 HB THR A 15 1.974 0.065 9.012 1.00 0.28 H new ATOM 0 HG1 THR A 15 0.587 -0.046 10.662 1.00 0.29 H new ATOM 0 HG21 THR A 15 2.510 -2.003 10.263 1.00 0.32 H new ATOM 0 HG22 THR A 15 3.953 -1.318 9.479 1.00 0.32 H new ATOM 0 HG23 THR A 15 3.704 -1.101 11.227 1.00 0.32 H new ATOM 219 N VAL A 16 3.945 1.101 7.645 1.00 0.27 N ATOM 220 CA VAL A 16 4.777 0.914 6.467 1.00 0.28 C ATOM 221 C VAL A 16 5.884 1.965 6.374 1.00 0.30 C ATOM 222 O VAL A 16 6.975 1.681 5.877 1.00 0.36 O ATOM 223 CB VAL A 16 3.905 0.960 5.201 1.00 0.30 C ATOM 224 CG1 VAL A 16 3.087 2.236 5.169 1.00 0.33 C ATOM 225 CG2 VAL A 16 4.750 0.844 3.942 1.00 0.33 C ATOM 0 H VAL A 16 2.953 1.219 7.436 1.00 0.27 H new ATOM 0 HA VAL A 16 5.256 -0.061 6.552 1.00 0.28 H new ATOM 0 HB VAL A 16 3.228 0.106 5.231 1.00 0.30 H new ATOM 0 HG11 VAL A 16 2.475 2.254 4.267 1.00 0.33 H new ATOM 0 HG12 VAL A 16 2.441 2.276 6.046 1.00 0.33 H new ATOM 0 HG13 VAL A 16 3.756 3.097 5.171 1.00 0.33 H new ATOM 0 HG21 VAL A 16 4.103 0.880 3.065 1.00 0.33 H new ATOM 0 HG22 VAL A 16 5.460 1.670 3.903 1.00 0.33 H new ATOM 0 HG23 VAL A 16 5.293 -0.101 3.954 1.00 0.33 H new ATOM 235 N VAL A 17 5.610 3.173 6.853 1.00 0.31 N ATOM 236 CA VAL A 17 6.597 4.244 6.805 1.00 0.33 C ATOM 237 C VAL A 17 7.617 4.086 7.936 1.00 0.30 C ATOM 238 O VAL A 17 8.819 4.264 7.743 1.00 0.32 O ATOM 239 CB VAL A 17 5.937 5.636 6.907 1.00 0.43 C ATOM 240 CG1 VAL A 17 5.405 5.901 8.309 1.00 0.45 C ATOM 241 CG2 VAL A 17 6.920 6.720 6.492 1.00 0.50 C ATOM 0 H VAL A 17 4.719 3.434 7.276 1.00 0.31 H new ATOM 0 HA VAL A 17 7.102 4.171 5.842 1.00 0.33 H new ATOM 0 HB VAL A 17 5.087 5.653 6.225 1.00 0.43 H new ATOM 0 HG11 VAL A 17 4.947 6.890 8.344 1.00 0.45 H new ATOM 0 HG12 VAL A 17 4.660 5.147 8.564 1.00 0.45 H new ATOM 0 HG13 VAL A 17 6.226 5.856 9.024 1.00 0.45 H new ATOM 0 HG21 VAL A 17 6.440 7.696 6.569 1.00 0.50 H new ATOM 0 HG22 VAL A 17 7.791 6.691 7.147 1.00 0.50 H new ATOM 0 HG23 VAL A 17 7.235 6.551 5.462 1.00 0.50 H new ATOM 251 N SER A 18 7.112 3.768 9.125 1.00 0.33 N ATOM 252 CA SER A 18 7.953 3.592 10.304 1.00 0.40 C ATOM 253 C SER A 18 8.590 2.202 10.362 1.00 0.44 C ATOM 254 O SER A 18 9.359 1.908 11.274 1.00 0.59 O ATOM 255 CB SER A 18 7.136 3.836 11.573 1.00 0.51 C ATOM 256 OG SER A 18 7.932 3.671 12.734 1.00 1.32 O ATOM 0 H SER A 18 6.117 3.626 9.297 1.00 0.33 H new ATOM 0 HA SER A 18 8.760 4.322 10.235 1.00 0.40 H new ATOM 0 HB2 SER A 18 6.721 4.844 11.553 1.00 0.51 H new ATOM 0 HB3 SER A 18 6.294 3.145 11.605 1.00 0.51 H new ATOM 0 HG SER A 18 8.688 3.081 12.531 1.00 1.32 H new ATOM 262 N THR A 19 8.189 1.313 9.462 1.00 0.37 N ATOM 263 CA THR A 19 8.761 -0.033 9.422 1.00 0.44 C ATOM 264 C THR A 19 10.030 -0.142 8.554 1.00 0.46 C ATOM 265 O THR A 19 11.146 0.076 9.024 1.00 0.54 O ATOM 266 CB THR A 19 7.720 -1.094 8.987 1.00 0.45 C ATOM 267 OG1 THR A 19 6.944 -0.638 7.861 1.00 0.42 O ATOM 268 CG2 THR A 19 6.788 -1.434 10.142 1.00 0.49 C ATOM 0 H THR A 19 7.477 1.494 8.755 1.00 0.37 H new ATOM 0 HA THR A 19 9.063 -0.239 10.449 1.00 0.44 H new ATOM 0 HB THR A 19 8.269 -1.988 8.690 1.00 0.45 H new ATOM 0 HG1 THR A 19 6.481 0.193 8.098 1.00 0.42 H new ATOM 0 HG21 THR A 19 6.064 -2.181 9.817 1.00 0.49 H new ATOM 0 HG22 THR A 19 7.370 -1.830 10.974 1.00 0.49 H new ATOM 0 HG23 THR A 19 6.263 -0.534 10.462 1.00 0.49 H new ATOM 276 N PHE A 20 9.822 -0.482 7.284 1.00 0.45 N ATOM 277 CA PHE A 20 10.886 -0.679 6.301 1.00 0.54 C ATOM 278 C PHE A 20 11.334 0.641 5.749 1.00 0.52 C ATOM 279 O PHE A 20 12.498 0.828 5.398 1.00 0.64 O ATOM 280 CB PHE A 20 10.347 -1.579 5.173 1.00 0.60 C ATOM 281 CG PHE A 20 10.980 -1.392 3.814 1.00 0.72 C ATOM 282 CD1 PHE A 20 12.357 -1.365 3.664 1.00 1.26 C ATOM 283 CD2 PHE A 20 10.187 -1.245 2.685 1.00 1.60 C ATOM 284 CE1 PHE A 20 12.928 -1.195 2.418 1.00 1.37 C ATOM 285 CE2 PHE A 20 10.755 -1.075 1.438 1.00 1.77 C ATOM 286 CZ PHE A 20 12.124 -1.049 1.304 1.00 1.18 C ATOM 0 H PHE A 20 8.889 -0.632 6.901 1.00 0.45 H new ATOM 0 HA PHE A 20 11.746 -1.155 6.773 1.00 0.54 H new ATOM 0 HB2 PHE A 20 10.477 -2.619 5.472 1.00 0.60 H new ATOM 0 HB3 PHE A 20 9.275 -1.406 5.079 1.00 0.60 H new ATOM 0 HD1 PHE A 20 12.991 -1.478 4.531 1.00 1.26 H new ATOM 0 HD2 PHE A 20 9.112 -1.264 2.783 1.00 1.60 H new ATOM 0 HE1 PHE A 20 14.003 -1.176 2.315 1.00 1.37 H new ATOM 0 HE2 PHE A 20 10.125 -0.962 0.568 1.00 1.77 H new ATOM 0 HZ PHE A 20 12.570 -0.915 0.329 1.00 1.18 H new ATOM 296 N PHE A 21 10.397 1.553 5.680 1.00 0.44 N ATOM 297 CA PHE A 21 10.677 2.846 5.151 1.00 0.47 C ATOM 298 C PHE A 21 11.570 3.637 6.090 1.00 0.49 C ATOM 299 O PHE A 21 12.008 4.739 5.783 1.00 0.62 O ATOM 300 CB PHE A 21 9.360 3.550 4.830 1.00 0.48 C ATOM 301 CG PHE A 21 8.572 2.878 3.720 1.00 0.45 C ATOM 302 CD1 PHE A 21 9.121 1.825 2.995 1.00 1.16 C ATOM 303 CD2 PHE A 21 7.270 3.270 3.422 1.00 1.39 C ATOM 304 CE1 PHE A 21 8.396 1.193 2.004 1.00 1.13 C ATOM 305 CE2 PHE A 21 6.544 2.633 2.439 1.00 1.44 C ATOM 306 CZ PHE A 21 7.105 1.595 1.728 1.00 0.54 C ATOM 0 H PHE A 21 9.434 1.415 5.987 1.00 0.44 H new ATOM 0 HA PHE A 21 11.238 2.757 4.221 1.00 0.47 H new ATOM 0 HB2 PHE A 21 8.747 3.586 5.730 1.00 0.48 H new ATOM 0 HB3 PHE A 21 9.568 4.581 4.545 1.00 0.48 H new ATOM 0 HD1 PHE A 21 10.127 1.498 3.210 1.00 1.16 H new ATOM 0 HD2 PHE A 21 6.822 4.086 3.970 1.00 1.39 H new ATOM 0 HE1 PHE A 21 8.840 0.383 1.444 1.00 1.13 H new ATOM 0 HE2 PHE A 21 5.533 2.948 2.226 1.00 1.44 H new ATOM 0 HZ PHE A 21 6.536 1.097 0.957 1.00 0.54 H new ATOM 316 N THR A 22 11.851 3.086 7.247 1.00 0.47 N ATOM 317 CA THR A 22 12.763 3.761 8.148 1.00 0.54 C ATOM 318 C THR A 22 14.183 3.768 7.574 1.00 0.49 C ATOM 319 O THR A 22 15.059 4.461 8.090 1.00 0.54 O ATOM 320 CB THR A 22 12.789 3.084 9.514 1.00 0.66 C ATOM 321 OG1 THR A 22 13.371 1.794 9.392 1.00 0.66 O ATOM 322 CG2 THR A 22 11.394 2.975 10.066 1.00 0.81 C ATOM 0 H THR A 22 11.476 2.199 7.583 1.00 0.47 H new ATOM 0 HA THR A 22 12.407 4.785 8.262 1.00 0.54 H new ATOM 0 HB THR A 22 13.386 3.684 10.201 1.00 0.66 H new ATOM 0 HG1 THR A 22 12.665 1.127 9.261 1.00 0.66 H new ATOM 0 HG21 THR A 22 11.426 2.490 11.042 1.00 0.81 H new ATOM 0 HG22 THR A 22 10.965 3.972 10.170 1.00 0.81 H new ATOM 0 HG23 THR A 22 10.779 2.384 9.387 1.00 0.81 H new ATOM 330 N PHE A 23 14.413 2.989 6.504 1.00 0.49 N ATOM 331 CA PHE A 23 15.753 2.896 5.927 1.00 0.51 C ATOM 332 C PHE A 23 16.122 4.121 5.076 1.00 0.44 C ATOM 333 O PHE A 23 17.271 4.259 4.655 1.00 0.45 O ATOM 334 CB PHE A 23 15.932 1.545 5.201 1.00 0.68 C ATOM 335 CG PHE A 23 15.858 1.567 3.708 1.00 0.61 C ATOM 336 CD1 PHE A 23 16.900 2.075 2.952 1.00 1.47 C ATOM 337 CD2 PHE A 23 14.753 1.053 3.057 1.00 1.46 C ATOM 338 CE1 PHE A 23 16.842 2.069 1.589 1.00 1.88 C ATOM 339 CE2 PHE A 23 14.691 1.045 1.685 1.00 1.93 C ATOM 340 CZ PHE A 23 15.732 1.548 0.950 1.00 1.82 C ATOM 0 H PHE A 23 13.702 2.428 6.034 1.00 0.49 H new ATOM 0 HA PHE A 23 16.478 2.914 6.741 1.00 0.51 H new ATOM 0 HB2 PHE A 23 16.899 1.131 5.487 1.00 0.68 H new ATOM 0 HB3 PHE A 23 15.170 0.858 5.569 1.00 0.68 H new ATOM 0 HD1 PHE A 23 17.770 2.481 3.447 1.00 1.47 H new ATOM 0 HD2 PHE A 23 13.931 0.654 3.632 1.00 1.46 H new ATOM 0 HE1 PHE A 23 17.661 2.470 1.011 1.00 1.88 H new ATOM 0 HE2 PHE A 23 13.822 0.642 1.186 1.00 1.93 H new ATOM 0 HZ PHE A 23 15.686 1.538 -0.129 1.00 1.82 H new ATOM 350 N ALA A 24 15.155 5.015 4.826 1.00 0.50 N ATOM 351 CA ALA A 24 15.431 6.259 4.104 1.00 0.58 C ATOM 352 C ALA A 24 16.579 6.972 4.781 1.00 0.60 C ATOM 353 O ALA A 24 17.525 7.435 4.144 1.00 0.65 O ATOM 354 CB ALA A 24 14.214 7.169 4.134 1.00 0.71 C ATOM 0 H ALA A 24 14.183 4.899 5.112 1.00 0.50 H new ATOM 0 HA ALA A 24 15.678 6.021 3.069 1.00 0.58 H new ATOM 0 HB1 ALA A 24 14.435 8.089 3.593 1.00 0.71 H new ATOM 0 HB2 ALA A 24 13.371 6.664 3.663 1.00 0.71 H new ATOM 0 HB3 ALA A 24 13.963 7.407 5.168 1.00 0.71 H new ATOM 360 N GLY A 25 16.464 7.040 6.104 1.00 0.68 N ATOM 361 CA GLY A 25 17.476 7.664 6.936 1.00 0.81 C ATOM 362 C GLY A 25 18.885 7.372 6.454 1.00 0.71 C ATOM 363 O GLY A 25 19.796 8.183 6.621 1.00 0.80 O ATOM 0 H GLY A 25 15.670 6.665 6.623 1.00 0.68 H new ATOM 0 HA2 GLY A 25 17.316 8.742 6.950 1.00 0.81 H new ATOM 0 HA3 GLY A 25 17.366 7.312 7.962 1.00 0.81 H new ATOM 367 N ARG A 26 19.050 6.203 5.848 1.00 0.60 N ATOM 368 CA ARG A 26 20.332 5.772 5.309 1.00 0.59 C ATOM 369 C ARG A 26 21.037 6.897 4.557 1.00 0.57 C ATOM 370 O ARG A 26 22.255 7.052 4.652 1.00 0.71 O ATOM 371 CB ARG A 26 20.110 4.593 4.369 1.00 0.61 C ATOM 372 CG ARG A 26 21.379 4.095 3.708 1.00 1.17 C ATOM 373 CD ARG A 26 22.305 3.443 4.717 1.00 0.97 C ATOM 374 NE ARG A 26 23.565 3.019 4.113 1.00 1.55 N ATOM 375 CZ ARG A 26 24.472 2.283 4.745 1.00 1.95 C ATOM 376 NH1 ARG A 26 24.254 1.884 5.991 1.00 2.01 N ATOM 377 NH2 ARG A 26 25.597 1.942 4.132 1.00 2.82 N ATOM 0 H ARG A 26 18.298 5.527 5.717 1.00 0.60 H new ATOM 0 HA ARG A 26 20.969 5.479 6.144 1.00 0.59 H new ATOM 0 HB2 ARG A 26 19.656 3.774 4.928 1.00 0.61 H new ATOM 0 HB3 ARG A 26 19.398 4.884 3.596 1.00 0.61 H new ATOM 0 HG2 ARG A 26 21.127 3.379 2.926 1.00 1.17 H new ATOM 0 HG3 ARG A 26 21.891 4.927 3.225 1.00 1.17 H new ATOM 0 HD2 ARG A 26 22.509 4.144 5.526 1.00 0.97 H new ATOM 0 HD3 ARG A 26 21.808 2.580 5.160 1.00 0.97 H new ATOM 0 HE ARG A 26 23.759 3.304 3.153 1.00 1.55 H new ATOM 0 HH11 ARG A 26 23.389 2.142 6.465 1.00 2.01 H new ATOM 0 HH12 ARG A 26 24.952 1.319 6.475 1.00 2.01 H new ATOM 0 HH21 ARG A 26 25.767 2.245 3.173 1.00 2.82 H new ATOM 0 HH22 ARG A 26 26.292 1.377 4.619 1.00 2.82 H new ATOM 391 N GLU A 27 20.266 7.682 3.811 1.00 0.50 N ATOM 392 CA GLU A 27 20.824 8.786 3.040 1.00 0.58 C ATOM 393 C GLU A 27 20.897 10.053 3.887 1.00 0.80 C ATOM 394 O GLU A 27 20.058 10.280 4.759 1.00 1.27 O ATOM 395 CB GLU A 27 19.987 9.037 1.784 1.00 0.98 C ATOM 396 CG GLU A 27 19.894 7.828 0.866 1.00 0.85 C ATOM 397 CD GLU A 27 21.255 7.318 0.430 1.00 1.09 C ATOM 398 OE1 GLU A 27 21.778 7.818 -0.589 1.00 1.78 O ATOM 399 OE2 GLU A 27 21.796 6.418 1.105 1.00 1.63 O ATOM 0 H GLU A 27 19.255 7.574 3.724 1.00 0.50 H new ATOM 0 HA GLU A 27 21.835 8.514 2.738 1.00 0.58 H new ATOM 0 HB2 GLU A 27 18.982 9.336 2.081 1.00 0.98 H new ATOM 0 HB3 GLU A 27 20.418 9.871 1.231 1.00 0.98 H new ATOM 0 HG2 GLU A 27 19.358 7.029 1.378 1.00 0.85 H new ATOM 0 HG3 GLU A 27 19.309 8.090 -0.016 1.00 0.85 H new ATOM 406 N GLY A 28 21.906 10.875 3.620 1.00 1.33 N ATOM 407 CA GLY A 28 22.089 12.103 4.371 1.00 1.88 C ATOM 408 C GLY A 28 20.852 12.972 4.421 1.00 1.36 C ATOM 409 O GLY A 28 19.929 12.710 5.192 1.00 1.58 O ATOM 0 H GLY A 28 22.603 10.712 2.894 1.00 1.33 H new ATOM 0 HA2 GLY A 28 22.390 11.855 5.389 1.00 1.88 H new ATOM 0 HA3 GLY A 28 22.905 12.673 3.927 1.00 1.88 H new ATOM 413 N ARG A 29 20.835 14.012 3.591 1.00 1.16 N ATOM 414 CA ARG A 29 19.717 14.949 3.546 1.00 1.06 C ATOM 415 C ARG A 29 18.372 14.233 3.622 1.00 1.13 C ATOM 416 O ARG A 29 18.289 13.020 3.433 1.00 1.73 O ATOM 417 CB ARG A 29 19.783 15.790 2.267 1.00 1.38 C ATOM 418 CG ARG A 29 18.723 16.878 2.192 1.00 1.78 C ATOM 419 CD ARG A 29 18.882 17.727 0.943 1.00 2.37 C ATOM 420 NE ARG A 29 20.217 18.309 0.845 1.00 2.89 N ATOM 421 CZ ARG A 29 20.649 18.984 -0.213 1.00 3.59 C ATOM 422 NH1 ARG A 29 19.848 19.172 -1.254 1.00 3.91 N ATOM 423 NH2 ARG A 29 21.880 19.475 -0.231 1.00 4.31 N ATOM 0 H ARG A 29 21.588 14.227 2.937 1.00 1.16 H new ATOM 0 HA ARG A 29 19.801 15.599 4.417 1.00 1.06 H new ATOM 0 HB2 ARG A 29 20.768 16.250 2.197 1.00 1.38 H new ATOM 0 HB3 ARG A 29 19.676 15.132 1.405 1.00 1.38 H new ATOM 0 HG2 ARG A 29 17.732 16.423 2.200 1.00 1.78 H new ATOM 0 HG3 ARG A 29 18.789 17.513 3.075 1.00 1.78 H new ATOM 0 HD2 ARG A 29 18.687 17.116 0.062 1.00 2.37 H new ATOM 0 HD3 ARG A 29 18.138 18.524 0.949 1.00 2.37 H new ATOM 0 HE ARG A 29 20.853 18.190 1.633 1.00 2.89 H new ATOM 0 HH11 ARG A 29 18.899 18.798 -1.242 1.00 3.91 H new ATOM 0 HH12 ARG A 29 20.181 19.691 -2.067 1.00 3.91 H new ATOM 0 HH21 ARG A 29 22.497 19.334 0.569 1.00 4.31 H new ATOM 0 HH22 ARG A 29 22.210 19.993 -1.045 1.00 4.31 H new ATOM 437 N LYS A 30 17.322 14.999 3.895 1.00 1.04 N ATOM 438 CA LYS A 30 15.982 14.445 3.989 1.00 1.47 C ATOM 439 C LYS A 30 15.227 14.665 2.682 1.00 1.32 C ATOM 440 O LYS A 30 14.270 15.437 2.627 1.00 1.64 O ATOM 441 CB LYS A 30 15.208 15.094 5.138 1.00 2.03 C ATOM 442 CG LYS A 30 16.039 15.347 6.387 1.00 2.65 C ATOM 443 CD LYS A 30 16.372 14.057 7.121 1.00 3.51 C ATOM 444 CE LYS A 30 17.607 13.382 6.543 1.00 4.01 C ATOM 445 NZ LYS A 30 18.007 12.188 7.337 1.00 4.77 N ATOM 0 H LYS A 30 17.376 16.005 4.055 1.00 1.04 H new ATOM 0 HA LYS A 30 16.071 13.376 4.181 1.00 1.47 H new ATOM 0 HB2 LYS A 30 14.794 16.041 4.793 1.00 2.03 H new ATOM 0 HB3 LYS A 30 14.365 14.455 5.400 1.00 2.03 H new ATOM 0 HG2 LYS A 30 16.963 15.856 6.111 1.00 2.65 H new ATOM 0 HG3 LYS A 30 15.495 16.014 7.055 1.00 2.65 H new ATOM 0 HD2 LYS A 30 16.535 14.271 8.177 1.00 3.51 H new ATOM 0 HD3 LYS A 30 15.524 13.375 7.062 1.00 3.51 H new ATOM 0 HE2 LYS A 30 17.410 13.084 5.513 1.00 4.01 H new ATOM 0 HE3 LYS A 30 18.432 14.094 6.517 1.00 4.01 H new ATOM 0 HZ1 LYS A 30 18.890 11.795 6.953 1.00 4.77 H new ATOM 0 HZ2 LYS A 30 18.154 12.464 8.329 1.00 4.77 H new ATOM 0 HZ3 LYS A 30 17.257 11.469 7.285 1.00 4.77 H new ATOM 459 N GLY A 31 15.672 13.981 1.631 1.00 0.95 N ATOM 460 CA GLY A 31 15.019 14.073 0.330 1.00 0.88 C ATOM 461 C GLY A 31 14.471 12.746 -0.087 1.00 0.80 C ATOM 462 O GLY A 31 13.266 12.593 -0.196 1.00 0.85 O ATOM 0 H GLY A 31 16.480 13.359 1.655 1.00 0.95 H new ATOM 0 HA2 GLY A 31 14.213 14.806 0.374 1.00 0.88 H new ATOM 0 HA3 GLY A 31 15.732 14.427 -0.415 1.00 0.88 H new ATOM 466 N SER A 32 15.332 11.772 -0.328 1.00 0.74 N ATOM 467 CA SER A 32 14.847 10.478 -0.709 1.00 0.71 C ATOM 468 C SER A 32 15.623 9.354 -0.066 1.00 0.70 C ATOM 469 O SER A 32 16.713 9.540 0.475 1.00 0.74 O ATOM 470 CB SER A 32 14.888 10.300 -2.215 1.00 0.68 C ATOM 471 OG SER A 32 16.190 9.953 -2.656 1.00 1.10 O ATOM 0 H SER A 32 16.346 11.858 -0.266 1.00 0.74 H new ATOM 0 HA SER A 32 13.817 10.430 -0.356 1.00 0.71 H new ATOM 0 HB2 SER A 32 14.182 9.524 -2.511 1.00 0.68 H new ATOM 0 HB3 SER A 32 14.570 11.222 -2.701 1.00 0.68 H new ATOM 0 HG SER A 32 16.130 9.473 -3.508 1.00 1.10 H new ATOM 477 N LEU A 33 15.029 8.185 -0.145 1.00 0.72 N ATOM 478 CA LEU A 33 15.616 6.978 0.343 1.00 0.74 C ATOM 479 C LEU A 33 16.254 6.303 -0.837 1.00 0.56 C ATOM 480 O LEU A 33 15.805 6.501 -1.967 1.00 0.52 O ATOM 481 CB LEU A 33 14.540 6.091 0.927 1.00 0.99 C ATOM 482 CG LEU A 33 14.885 4.616 1.054 1.00 1.19 C ATOM 483 CD1 LEU A 33 14.307 4.073 2.342 1.00 1.93 C ATOM 484 CD2 LEU A 33 14.344 3.867 -0.158 1.00 1.69 C ATOM 0 H LEU A 33 14.106 8.054 -0.560 1.00 0.72 H new ATOM 0 HA LEU A 33 16.350 7.179 1.123 1.00 0.74 H new ATOM 0 HB2 LEU A 33 14.283 6.470 1.916 1.00 0.99 H new ATOM 0 HB3 LEU A 33 13.647 6.182 0.309 1.00 0.99 H new ATOM 0 HG LEU A 33 15.966 4.482 1.085 1.00 1.19 H new ATOM 0 HD11 LEU A 33 14.554 3.015 2.434 1.00 1.93 H new ATOM 0 HD12 LEU A 33 14.726 4.618 3.187 1.00 1.93 H new ATOM 0 HD13 LEU A 33 13.224 4.193 2.334 1.00 1.93 H new ATOM 0 HD21 LEU A 33 14.589 2.809 -0.071 1.00 1.69 H new ATOM 0 HD22 LEU A 33 13.262 3.986 -0.206 1.00 1.69 H new ATOM 0 HD23 LEU A 33 14.794 4.270 -1.065 1.00 1.69 H new ATOM 496 N ASN A 34 17.285 5.514 -0.619 1.00 0.57 N ATOM 497 CA ASN A 34 17.941 4.902 -1.747 1.00 0.47 C ATOM 498 C ASN A 34 17.866 3.391 -1.677 1.00 0.41 C ATOM 499 O ASN A 34 17.095 2.852 -0.926 1.00 0.56 O ATOM 500 CB ASN A 34 19.387 5.387 -1.801 1.00 0.56 C ATOM 501 CG ASN A 34 19.496 6.821 -2.285 1.00 1.37 C ATOM 502 OD1 ASN A 34 18.602 7.636 -2.053 1.00 2.12 O ATOM 503 ND2 ASN A 34 20.594 7.135 -2.963 1.00 2.11 N ATOM 0 H ASN A 34 17.674 5.289 0.297 1.00 0.57 H new ATOM 0 HA ASN A 34 17.430 5.197 -2.663 1.00 0.47 H new ATOM 0 HB2 ASN A 34 19.832 5.306 -0.809 1.00 0.56 H new ATOM 0 HB3 ASN A 34 19.961 4.738 -2.462 1.00 0.56 H new ATOM 0 HD21 ASN A 34 20.722 8.084 -3.315 1.00 2.11 H new ATOM 0 HD22 ASN A 34 21.309 6.427 -3.132 1.00 2.11 H new ATOM 510 N ILE A 35 18.643 2.709 -2.482 1.00 0.54 N ATOM 511 CA ILE A 35 18.624 1.267 -2.483 1.00 0.54 C ATOM 512 C ILE A 35 19.808 0.683 -1.739 1.00 0.56 C ATOM 513 O ILE A 35 20.320 -0.375 -2.095 1.00 0.63 O ATOM 514 CB ILE A 35 18.582 0.728 -3.919 1.00 0.60 C ATOM 515 CG1 ILE A 35 19.556 1.509 -4.810 1.00 0.70 C ATOM 516 CG2 ILE A 35 17.169 0.833 -4.465 1.00 0.66 C ATOM 517 CD1 ILE A 35 20.939 1.673 -4.215 1.00 1.05 C ATOM 0 H ILE A 35 19.296 3.128 -3.144 1.00 0.54 H new ATOM 0 HA ILE A 35 17.720 0.957 -1.959 1.00 0.54 H new ATOM 0 HB ILE A 35 18.884 -0.319 -3.914 1.00 0.60 H new ATOM 0 HG12 ILE A 35 19.643 0.999 -5.770 1.00 0.70 H new ATOM 0 HG13 ILE A 35 19.138 2.496 -5.010 1.00 0.70 H new ATOM 0 HG21 ILE A 35 17.144 0.449 -5.485 1.00 0.66 H new ATOM 0 HG22 ILE A 35 16.493 0.249 -3.840 1.00 0.66 H new ATOM 0 HG23 ILE A 35 16.854 1.877 -4.462 1.00 0.66 H new ATOM 0 HD11 ILE A 35 21.568 2.236 -4.905 1.00 1.05 H new ATOM 0 HD12 ILE A 35 20.867 2.211 -3.269 1.00 1.05 H new ATOM 0 HD13 ILE A 35 21.379 0.691 -4.041 1.00 1.05 H new ATOM 529 N ASN A 36 20.235 1.386 -0.707 1.00 0.59 N ATOM 530 CA ASN A 36 21.347 0.940 0.107 1.00 0.63 C ATOM 531 C ASN A 36 20.870 -0.076 1.119 1.00 0.59 C ATOM 532 O ASN A 36 21.286 -1.234 1.082 1.00 0.59 O ATOM 533 CB ASN A 36 22.018 2.126 0.795 1.00 0.70 C ATOM 534 CG ASN A 36 22.916 2.906 -0.144 1.00 1.33 C ATOM 535 OD1 ASN A 36 22.477 3.850 -0.801 1.00 2.15 O ATOM 536 ND2 ASN A 36 24.183 2.513 -0.212 1.00 1.89 N ATOM 0 H ASN A 36 19.825 2.273 -0.413 1.00 0.59 H new ATOM 0 HA ASN A 36 22.088 0.465 -0.536 1.00 0.63 H new ATOM 0 HB2 ASN A 36 21.253 2.790 1.197 1.00 0.70 H new ATOM 0 HB3 ASN A 36 22.605 1.768 1.641 1.00 0.70 H new ATOM 0 HD21 ASN A 36 24.835 2.999 -0.827 1.00 1.89 H new ATOM 0 HD22 ASN A 36 24.503 1.725 0.351 1.00 1.89 H new ATOM 543 N GLU A 37 19.992 0.337 2.024 1.00 0.57 N ATOM 544 CA GLU A 37 19.483 -0.604 2.995 1.00 0.56 C ATOM 545 C GLU A 37 18.421 -1.466 2.355 1.00 0.50 C ATOM 546 O GLU A 37 18.109 -2.540 2.868 1.00 0.52 O ATOM 547 CB GLU A 37 18.949 0.064 4.243 1.00 0.66 C ATOM 548 CG GLU A 37 19.776 1.251 4.671 1.00 0.75 C ATOM 549 CD GLU A 37 19.495 1.673 6.101 1.00 0.76 C ATOM 550 OE1 GLU A 37 18.575 2.492 6.309 1.00 1.40 O ATOM 551 OE2 GLU A 37 20.197 1.186 7.013 1.00 1.29 O ATOM 0 H GLU A 37 19.631 1.288 2.101 1.00 0.57 H new ATOM 0 HA GLU A 37 20.319 -1.224 3.317 1.00 0.56 H new ATOM 0 HB2 GLU A 37 17.923 0.387 4.066 1.00 0.66 H new ATOM 0 HB3 GLU A 37 18.919 -0.663 5.054 1.00 0.66 H new ATOM 0 HG2 GLU A 37 20.834 1.008 4.569 1.00 0.75 H new ATOM 0 HG3 GLU A 37 19.576 2.089 4.003 1.00 0.75 H new ATOM 558 N PHE A 38 17.839 -1.017 1.224 1.00 0.46 N ATOM 559 CA PHE A 38 16.874 -1.845 0.536 1.00 0.42 C ATOM 560 C PHE A 38 17.519 -3.209 0.316 1.00 0.45 C ATOM 561 O PHE A 38 16.858 -4.241 0.323 1.00 0.45 O ATOM 562 CB PHE A 38 16.499 -1.212 -0.805 1.00 0.43 C ATOM 563 CG PHE A 38 15.231 -1.741 -1.407 1.00 0.41 C ATOM 564 CD1 PHE A 38 15.106 -3.080 -1.732 1.00 1.30 C ATOM 565 CD2 PHE A 38 14.165 -0.893 -1.651 1.00 1.21 C ATOM 566 CE1 PHE A 38 13.938 -3.565 -2.289 1.00 1.32 C ATOM 567 CE2 PHE A 38 12.994 -1.371 -2.208 1.00 1.21 C ATOM 568 CZ PHE A 38 12.880 -2.709 -2.526 1.00 0.45 C ATOM 0 H PHE A 38 18.024 -0.112 0.792 1.00 0.46 H new ATOM 0 HA PHE A 38 15.962 -1.944 1.124 1.00 0.42 H new ATOM 0 HB2 PHE A 38 16.401 -0.135 -0.670 1.00 0.43 H new ATOM 0 HB3 PHE A 38 17.315 -1.372 -1.509 1.00 0.43 H new ATOM 0 HD1 PHE A 38 15.930 -3.753 -1.548 1.00 1.30 H new ATOM 0 HD2 PHE A 38 14.249 0.155 -1.403 1.00 1.21 H new ATOM 0 HE1 PHE A 38 13.852 -4.612 -2.539 1.00 1.32 H new ATOM 0 HE2 PHE A 38 12.170 -0.699 -2.394 1.00 1.21 H new ATOM 0 HZ PHE A 38 11.965 -3.086 -2.959 1.00 0.45 H new ATOM 578 N LYS A 39 18.849 -3.184 0.181 1.00 0.49 N ATOM 579 CA LYS A 39 19.625 -4.391 -0.020 1.00 0.53 C ATOM 580 C LYS A 39 19.507 -5.334 1.145 1.00 0.53 C ATOM 581 O LYS A 39 19.907 -6.489 1.074 1.00 0.56 O ATOM 582 CB LYS A 39 21.068 -4.051 -0.284 1.00 0.61 C ATOM 583 CG LYS A 39 21.205 -3.141 -1.464 1.00 0.67 C ATOM 584 CD LYS A 39 22.535 -2.443 -1.453 1.00 0.71 C ATOM 585 CE LYS A 39 22.922 -1.924 -2.830 1.00 1.47 C ATOM 586 NZ LYS A 39 23.038 -3.020 -3.833 1.00 1.80 N ATOM 0 H LYS A 39 19.405 -2.329 0.209 1.00 0.49 H new ATOM 0 HA LYS A 39 19.218 -4.901 -0.893 1.00 0.53 H new ATOM 0 HB2 LYS A 39 21.499 -3.575 0.597 1.00 0.61 H new ATOM 0 HB3 LYS A 39 21.633 -4.966 -0.460 1.00 0.61 H new ATOM 0 HG2 LYS A 39 21.099 -3.715 -2.385 1.00 0.67 H new ATOM 0 HG3 LYS A 39 20.403 -2.403 -1.454 1.00 0.67 H new ATOM 0 HD2 LYS A 39 22.501 -1.611 -0.749 1.00 0.71 H new ATOM 0 HD3 LYS A 39 23.302 -3.131 -1.097 1.00 0.71 H new ATOM 0 HE2 LYS A 39 22.177 -1.203 -3.167 1.00 1.47 H new ATOM 0 HE3 LYS A 39 23.872 -1.394 -2.763 1.00 1.47 H new ATOM 0 HZ1 LYS A 39 23.540 -2.670 -4.673 1.00 1.80 H new ATOM 0 HZ2 LYS A 39 23.567 -3.814 -3.420 1.00 1.80 H new ATOM 0 HZ3 LYS A 39 22.088 -3.342 -4.107 1.00 1.80 H new ATOM 600 N GLU A 40 19.032 -4.805 2.232 1.00 0.52 N ATOM 601 CA GLU A 40 18.781 -5.604 3.410 1.00 0.56 C ATOM 602 C GLU A 40 17.418 -6.303 3.254 1.00 0.54 C ATOM 603 O GLU A 40 17.041 -7.141 4.073 1.00 0.60 O ATOM 604 CB GLU A 40 18.827 -4.734 4.682 1.00 0.60 C ATOM 605 CG GLU A 40 17.517 -4.034 5.022 1.00 1.09 C ATOM 606 CD GLU A 40 17.022 -4.373 6.414 1.00 1.91 C ATOM 607 OE1 GLU A 40 17.502 -3.748 7.383 1.00 2.43 O ATOM 608 OE2 GLU A 40 16.154 -5.264 6.534 1.00 2.62 O ATOM 0 H GLU A 40 18.806 -3.816 2.335 1.00 0.52 H new ATOM 0 HA GLU A 40 19.559 -6.361 3.514 1.00 0.56 H new ATOM 0 HB2 GLU A 40 19.117 -5.361 5.525 1.00 0.60 H new ATOM 0 HB3 GLU A 40 19.606 -3.981 4.563 1.00 0.60 H new ATOM 0 HG2 GLU A 40 17.653 -2.956 4.941 1.00 1.09 H new ATOM 0 HG3 GLU A 40 16.758 -4.315 4.292 1.00 1.09 H new ATOM 615 N LEU A 41 16.679 -5.936 2.188 1.00 0.49 N ATOM 616 CA LEU A 41 15.360 -6.495 1.934 1.00 0.50 C ATOM 617 C LEU A 41 15.434 -7.924 1.436 1.00 0.55 C ATOM 618 O LEU A 41 15.502 -8.836 2.244 1.00 0.62 O ATOM 619 CB LEU A 41 14.571 -5.633 0.941 1.00 0.46 C ATOM 620 CG LEU A 41 14.248 -4.199 1.377 1.00 0.44 C ATOM 621 CD1 LEU A 41 12.896 -3.791 0.820 1.00 0.55 C ATOM 622 CD2 LEU A 41 14.272 -4.035 2.898 1.00 0.66 C ATOM 0 H LEU A 41 16.985 -5.253 1.495 1.00 0.49 H new ATOM 0 HA LEU A 41 14.835 -6.499 2.889 1.00 0.50 H new ATOM 0 HB2 LEU A 41 15.134 -5.586 0.009 1.00 0.46 H new ATOM 0 HB3 LEU A 41 13.632 -6.141 0.721 1.00 0.46 H new ATOM 0 HG LEU A 41 15.024 -3.546 0.977 1.00 0.44 H new ATOM 0 HD11 LEU A 41 12.667 -2.772 1.130 1.00 0.55 H new ATOM 0 HD12 LEU A 41 12.921 -3.842 -0.269 1.00 0.55 H new ATOM 0 HD13 LEU A 41 12.128 -4.466 1.198 1.00 0.55 H new ATOM 0 HD21 LEU A 41 14.037 -3.002 3.156 1.00 0.66 H new ATOM 0 HD22 LEU A 41 13.533 -4.699 3.347 1.00 0.66 H new ATOM 0 HD23 LEU A 41 15.263 -4.287 3.276 1.00 0.66 H new ATOM 634 N ALA A 42 15.439 -8.128 0.110 1.00 0.55 N ATOM 635 CA ALA A 42 15.479 -9.473 -0.455 1.00 0.61 C ATOM 636 C ALA A 42 16.374 -10.400 0.347 1.00 0.67 C ATOM 637 O ALA A 42 16.080 -11.574 0.513 1.00 0.74 O ATOM 638 CB ALA A 42 15.959 -9.425 -1.875 1.00 0.65 C ATOM 0 H ALA A 42 15.416 -7.379 -0.582 1.00 0.55 H new ATOM 0 HA ALA A 42 14.464 -9.868 -0.419 1.00 0.61 H new ATOM 0 HB1 ALA A 42 15.984 -10.435 -2.285 1.00 0.65 H new ATOM 0 HB2 ALA A 42 15.282 -8.810 -2.467 1.00 0.65 H new ATOM 0 HB3 ALA A 42 16.960 -8.996 -1.906 1.00 0.65 H new ATOM 644 N THR A 43 17.436 -9.833 0.886 1.00 0.66 N ATOM 645 CA THR A 43 18.395 -10.564 1.666 1.00 0.73 C ATOM 646 C THR A 43 17.728 -11.226 2.869 1.00 0.78 C ATOM 647 O THR A 43 17.692 -12.452 2.977 1.00 0.86 O ATOM 648 CB THR A 43 19.492 -9.594 2.130 1.00 0.72 C ATOM 649 OG1 THR A 43 18.932 -8.284 2.340 1.00 0.66 O ATOM 650 CG2 THR A 43 20.620 -9.514 1.111 1.00 0.75 C ATOM 0 H THR A 43 17.653 -8.841 0.789 1.00 0.66 H new ATOM 0 HA THR A 43 18.831 -11.354 1.055 1.00 0.73 H new ATOM 0 HB THR A 43 19.903 -9.969 3.067 1.00 0.72 H new ATOM 0 HG1 THR A 43 19.104 -7.725 1.554 1.00 0.66 H new ATOM 0 HG21 THR A 43 21.382 -8.820 1.466 1.00 0.75 H new ATOM 0 HG22 THR A 43 21.062 -10.502 0.979 1.00 0.75 H new ATOM 0 HG23 THR A 43 20.225 -9.163 0.158 1.00 0.75 H new ATOM 658 N GLN A 44 17.204 -10.403 3.768 1.00 0.77 N ATOM 659 CA GLN A 44 16.521 -10.879 4.953 1.00 0.85 C ATOM 660 C GLN A 44 15.102 -11.305 4.616 1.00 0.85 C ATOM 661 O GLN A 44 14.560 -12.242 5.204 1.00 0.94 O ATOM 662 CB GLN A 44 16.506 -9.772 6.011 1.00 0.88 C ATOM 663 CG GLN A 44 17.867 -9.514 6.635 1.00 1.54 C ATOM 664 CD GLN A 44 17.819 -8.444 7.706 1.00 2.05 C ATOM 665 OE1 GLN A 44 16.808 -8.278 8.388 1.00 2.54 O ATOM 666 NE2 GLN A 44 18.914 -7.708 7.857 1.00 2.75 N ATOM 0 H GLN A 44 17.243 -9.387 3.692 1.00 0.77 H new ATOM 0 HA GLN A 44 17.052 -11.746 5.346 1.00 0.85 H new ATOM 0 HB2 GLN A 44 16.143 -8.850 5.556 1.00 0.88 H new ATOM 0 HB3 GLN A 44 15.800 -10.040 6.797 1.00 0.88 H new ATOM 0 HG2 GLN A 44 18.247 -10.440 7.067 1.00 1.54 H new ATOM 0 HG3 GLN A 44 18.569 -9.214 5.857 1.00 1.54 H new ATOM 0 HE21 GLN A 44 19.730 -7.881 7.269 1.00 2.75 H new ATOM 0 HE22 GLN A 44 18.939 -6.970 8.561 1.00 2.75 H new ATOM 675 N GLN A 45 14.519 -10.610 3.660 1.00 0.78 N ATOM 676 CA GLN A 45 13.171 -10.893 3.210 1.00 0.83 C ATOM 677 C GLN A 45 13.133 -12.196 2.441 1.00 0.79 C ATOM 678 O GLN A 45 12.070 -12.802 2.304 1.00 0.80 O ATOM 679 CB GLN A 45 12.667 -9.770 2.323 1.00 0.93 C ATOM 680 CG GLN A 45 12.594 -8.427 3.019 1.00 0.97 C ATOM 681 CD GLN A 45 11.465 -7.561 2.501 1.00 1.36 C ATOM 682 OE1 GLN A 45 10.979 -6.689 3.219 1.00 2.34 O ATOM 683 NE2 GLN A 45 11.047 -7.793 1.249 1.00 1.43 N ATOM 0 H GLN A 45 14.966 -9.833 3.173 1.00 0.78 H new ATOM 0 HA GLN A 45 12.529 -10.977 4.087 1.00 0.83 H new ATOM 0 HB2 GLN A 45 13.321 -9.684 1.455 1.00 0.93 H new ATOM 0 HB3 GLN A 45 11.676 -10.030 1.951 1.00 0.93 H new ATOM 0 HG2 GLN A 45 12.464 -8.584 4.090 1.00 0.97 H new ATOM 0 HG3 GLN A 45 13.540 -7.902 2.886 1.00 0.97 H new ATOM 0 HE21 GLN A 45 11.483 -8.529 0.694 1.00 1.43 H new ATOM 0 HE22 GLN A 45 10.292 -7.234 0.851 1.00 1.43 H new ATOM 692 N LEU A 46 14.299 -12.614 1.916 1.00 0.78 N ATOM 693 CA LEU A 46 14.411 -13.870 1.173 1.00 0.78 C ATOM 694 C LEU A 46 13.544 -14.918 1.847 1.00 0.74 C ATOM 695 O LEU A 46 12.471 -15.233 1.340 1.00 0.75 O ATOM 696 CB LEU A 46 15.868 -14.366 1.081 1.00 0.83 C ATOM 697 CG LEU A 46 16.582 -14.203 -0.276 1.00 1.04 C ATOM 698 CD1 LEU A 46 17.773 -15.144 -0.351 1.00 1.25 C ATOM 699 CD2 LEU A 46 15.633 -14.463 -1.436 1.00 1.30 C ATOM 0 H LEU A 46 15.174 -12.096 1.996 1.00 0.78 H new ATOM 0 HA LEU A 46 14.071 -13.694 0.153 1.00 0.78 H new ATOM 0 HB2 LEU A 46 16.452 -13.840 1.836 1.00 0.83 H new ATOM 0 HB3 LEU A 46 15.883 -15.423 1.346 1.00 0.83 H new ATOM 0 HG LEU A 46 16.931 -13.173 -0.354 1.00 1.04 H new ATOM 0 HD11 LEU A 46 18.272 -15.023 -1.312 1.00 1.25 H new ATOM 0 HD12 LEU A 46 18.472 -14.911 0.453 1.00 1.25 H new ATOM 0 HD13 LEU A 46 17.430 -16.174 -0.247 1.00 1.25 H new ATOM 0 HD21 LEU A 46 16.167 -14.340 -2.378 1.00 1.30 H new ATOM 0 HD22 LEU A 46 15.246 -15.480 -1.369 1.00 1.30 H new ATOM 0 HD23 LEU A 46 14.805 -13.756 -1.394 1.00 1.30 H new ATOM 711 N PRO A 47 13.929 -15.447 3.023 1.00 0.78 N ATOM 712 CA PRO A 47 13.056 -16.403 3.659 1.00 0.80 C ATOM 713 C PRO A 47 11.937 -15.691 4.402 1.00 0.77 C ATOM 714 O PRO A 47 12.063 -15.319 5.569 1.00 0.81 O ATOM 715 CB PRO A 47 13.989 -17.090 4.654 1.00 0.90 C ATOM 716 CG PRO A 47 15.015 -16.057 4.994 1.00 0.95 C ATOM 717 CD PRO A 47 15.166 -15.185 3.776 1.00 0.90 C ATOM 0 HA PRO A 47 12.575 -17.086 2.958 1.00 0.80 H new ATOM 0 HB2 PRO A 47 13.448 -17.417 5.542 1.00 0.90 H new ATOM 0 HB3 PRO A 47 14.450 -17.976 4.217 1.00 0.90 H new ATOM 0 HG2 PRO A 47 14.701 -15.468 5.856 1.00 0.95 H new ATOM 0 HG3 PRO A 47 15.964 -16.525 5.256 1.00 0.95 H new ATOM 0 HD2 PRO A 47 15.260 -14.132 4.043 1.00 0.90 H new ATOM 0 HD3 PRO A 47 16.053 -15.448 3.199 1.00 0.90 H new ATOM 725 N HIS A 48 10.848 -15.511 3.680 1.00 0.73 N ATOM 726 CA HIS A 48 9.620 -14.935 4.198 1.00 0.74 C ATOM 727 C HIS A 48 8.651 -16.047 4.570 1.00 0.83 C ATOM 728 O HIS A 48 9.057 -17.188 4.791 1.00 0.91 O ATOM 729 CB HIS A 48 9.012 -13.981 3.165 1.00 0.73 C ATOM 730 CG HIS A 48 9.109 -12.547 3.577 1.00 0.98 C ATOM 731 ND1 HIS A 48 9.838 -11.609 2.878 1.00 1.87 N ATOM 732 CD2 HIS A 48 8.568 -11.892 4.631 1.00 1.34 C ATOM 733 CE1 HIS A 48 9.742 -10.439 3.485 1.00 2.04 C ATOM 734 NE2 HIS A 48 8.977 -10.585 4.550 1.00 1.61 N ATOM 0 H HIS A 48 10.790 -15.767 2.694 1.00 0.73 H new ATOM 0 HA HIS A 48 9.835 -14.358 5.097 1.00 0.74 H new ATOM 0 HB2 HIS A 48 9.519 -14.115 2.210 1.00 0.73 H new ATOM 0 HB3 HIS A 48 7.965 -14.240 3.009 1.00 0.73 H new ATOM 0 HD1 HIS A 48 10.368 -11.790 2.026 1.00 1.87 H new ATOM 0 HD2 HIS A 48 7.933 -12.319 5.393 1.00 1.34 H new ATOM 0 HE1 HIS A 48 10.210 -9.520 3.164 1.00 2.04 H new ATOM 743 N LEU A 49 7.368 -15.710 4.641 1.00 0.88 N ATOM 744 CA LEU A 49 6.346 -16.713 4.862 1.00 1.00 C ATOM 745 C LEU A 49 6.091 -17.378 3.509 1.00 0.98 C ATOM 746 O LEU A 49 6.662 -18.427 3.211 1.00 1.02 O ATOM 747 CB LEU A 49 5.067 -16.082 5.420 1.00 1.10 C ATOM 748 CG LEU A 49 5.181 -15.549 6.849 1.00 1.62 C ATOM 749 CD1 LEU A 49 3.861 -14.946 7.300 1.00 2.02 C ATOM 750 CD2 LEU A 49 5.616 -16.659 7.794 1.00 2.44 C ATOM 0 H LEU A 49 7.018 -14.756 4.549 1.00 0.88 H new ATOM 0 HA LEU A 49 6.671 -17.447 5.600 1.00 1.00 H new ATOM 0 HB2 LEU A 49 4.768 -15.263 4.765 1.00 1.10 H new ATOM 0 HB3 LEU A 49 4.269 -16.824 5.387 1.00 1.10 H new ATOM 0 HG LEU A 49 5.938 -14.765 6.868 1.00 1.62 H new ATOM 0 HD11 LEU A 49 3.961 -14.572 8.319 1.00 2.02 H new ATOM 0 HD12 LEU A 49 3.591 -14.124 6.637 1.00 2.02 H new ATOM 0 HD13 LEU A 49 3.083 -15.709 7.268 1.00 2.02 H new ATOM 0 HD21 LEU A 49 5.693 -16.265 8.807 1.00 2.44 H new ATOM 0 HD22 LEU A 49 4.881 -17.464 7.772 1.00 2.44 H new ATOM 0 HD23 LEU A 49 6.586 -17.045 7.480 1.00 2.44 H new ATOM 762 N LEU A 50 5.233 -16.764 2.691 1.00 0.98 N ATOM 763 CA LEU A 50 4.974 -17.260 1.338 1.00 1.01 C ATOM 764 C LEU A 50 6.032 -16.687 0.384 1.00 0.92 C ATOM 765 O LEU A 50 5.711 -16.112 -0.654 1.00 1.01 O ATOM 766 CB LEU A 50 3.549 -16.905 0.880 1.00 1.11 C ATOM 767 CG LEU A 50 3.313 -15.462 0.413 1.00 1.60 C ATOM 768 CD1 LEU A 50 1.822 -15.177 0.349 1.00 1.97 C ATOM 769 CD2 LEU A 50 4.004 -14.463 1.326 1.00 2.25 C ATOM 0 H LEU A 50 4.708 -15.926 2.941 1.00 0.98 H new ATOM 0 HA LEU A 50 5.044 -18.348 1.332 1.00 1.01 H new ATOM 0 HB2 LEU A 50 3.277 -17.575 0.064 1.00 1.11 H new ATOM 0 HB3 LEU A 50 2.866 -17.112 1.704 1.00 1.11 H new ATOM 0 HG LEU A 50 3.743 -15.352 -0.583 1.00 1.60 H new ATOM 0 HD11 LEU A 50 1.662 -14.151 0.017 1.00 1.97 H new ATOM 0 HD12 LEU A 50 1.350 -15.864 -0.354 1.00 1.97 H new ATOM 0 HD13 LEU A 50 1.383 -15.311 1.338 1.00 1.97 H new ATOM 0 HD21 LEU A 50 3.816 -13.451 0.966 1.00 2.25 H new ATOM 0 HD22 LEU A 50 3.615 -14.566 2.339 1.00 2.25 H new ATOM 0 HD23 LEU A 50 5.077 -14.654 1.328 1.00 2.25 H new ATOM 781 N LYS A 51 7.296 -16.871 0.751 1.00 0.85 N ATOM 782 CA LYS A 51 8.427 -16.346 0.001 1.00 0.81 C ATOM 783 C LYS A 51 8.260 -16.437 -1.509 1.00 0.88 C ATOM 784 O LYS A 51 7.594 -17.327 -2.036 1.00 1.03 O ATOM 785 CB LYS A 51 9.704 -17.060 0.440 1.00 0.97 C ATOM 786 CG LYS A 51 10.935 -16.740 -0.396 1.00 1.23 C ATOM 787 CD LYS A 51 12.128 -17.554 0.091 1.00 2.11 C ATOM 788 CE LYS A 51 13.448 -17.051 -0.472 1.00 2.68 C ATOM 789 NZ LYS A 51 14.611 -17.636 0.251 1.00 3.58 N ATOM 0 H LYS A 51 7.564 -17.394 1.585 1.00 0.85 H new ATOM 0 HA LYS A 51 8.488 -15.282 0.228 1.00 0.81 H new ATOM 0 HB2 LYS A 51 9.910 -16.800 1.478 1.00 0.97 H new ATOM 0 HB3 LYS A 51 9.531 -18.136 0.409 1.00 0.97 H new ATOM 0 HG2 LYS A 51 10.739 -16.961 -1.445 1.00 1.23 H new ATOM 0 HG3 LYS A 51 11.161 -15.676 -0.331 1.00 1.23 H new ATOM 0 HD2 LYS A 51 12.166 -17.521 1.180 1.00 2.11 H new ATOM 0 HD3 LYS A 51 11.991 -18.598 -0.192 1.00 2.11 H new ATOM 0 HE2 LYS A 51 13.512 -17.303 -1.530 1.00 2.68 H new ATOM 0 HE3 LYS A 51 13.484 -15.964 -0.401 1.00 2.68 H new ATOM 0 HZ1 LYS A 51 15.494 -17.271 -0.159 1.00 3.58 H new ATOM 0 HZ2 LYS A 51 14.562 -17.374 1.256 1.00 3.58 H new ATOM 0 HZ3 LYS A 51 14.590 -18.672 0.162 1.00 3.58 H new ATOM 803 N ASP A 52 8.887 -15.478 -2.182 1.00 0.92 N ATOM 804 CA ASP A 52 8.866 -15.385 -3.638 1.00 1.17 C ATOM 805 C ASP A 52 10.254 -15.660 -4.225 1.00 1.23 C ATOM 806 O ASP A 52 10.389 -15.858 -5.431 1.00 1.47 O ATOM 807 CB ASP A 52 8.386 -13.999 -4.074 1.00 1.29 C ATOM 808 CG ASP A 52 8.397 -13.831 -5.581 1.00 1.87 C ATOM 809 OD1 ASP A 52 9.460 -13.473 -6.132 1.00 2.35 O ATOM 810 OD2 ASP A 52 7.343 -14.058 -6.212 1.00 2.61 O ATOM 0 H ASP A 52 9.427 -14.740 -1.731 1.00 0.92 H new ATOM 0 HA ASP A 52 8.175 -16.140 -4.014 1.00 1.17 H new ATOM 0 HB2 ASP A 52 7.376 -13.833 -3.700 1.00 1.29 H new ATOM 0 HB3 ASP A 52 9.022 -13.238 -3.622 1.00 1.29 H new ATOM 815 N VAL A 53 11.278 -15.640 -3.362 1.00 1.13 N ATOM 816 CA VAL A 53 12.650 -15.904 -3.757 1.00 1.26 C ATOM 817 C VAL A 53 13.252 -14.743 -4.532 1.00 1.24 C ATOM 818 O VAL A 53 13.333 -14.768 -5.760 1.00 1.48 O ATOM 819 CB VAL A 53 12.747 -17.195 -4.576 1.00 1.57 C ATOM 820 CG1 VAL A 53 14.169 -17.442 -5.064 1.00 2.17 C ATOM 821 CG2 VAL A 53 12.242 -18.380 -3.767 1.00 1.91 C ATOM 0 H VAL A 53 11.168 -15.438 -2.368 1.00 1.13 H new ATOM 0 HA VAL A 53 13.227 -16.026 -2.840 1.00 1.26 H new ATOM 0 HB VAL A 53 12.113 -17.079 -5.455 1.00 1.57 H new ATOM 0 HG11 VAL A 53 14.200 -18.366 -5.641 1.00 2.17 H new ATOM 0 HG12 VAL A 53 14.487 -16.611 -5.693 1.00 2.17 H new ATOM 0 HG13 VAL A 53 14.838 -17.526 -4.208 1.00 2.17 H new ATOM 0 HG21 VAL A 53 12.319 -19.288 -4.365 1.00 1.91 H new ATOM 0 HG22 VAL A 53 12.844 -18.488 -2.865 1.00 1.91 H new ATOM 0 HG23 VAL A 53 11.201 -18.214 -3.490 1.00 1.91 H new ATOM 831 N GLY A 54 13.665 -13.720 -3.794 1.00 1.06 N ATOM 832 CA GLY A 54 14.283 -12.565 -4.407 1.00 1.11 C ATOM 833 C GLY A 54 15.418 -12.960 -5.326 1.00 1.14 C ATOM 834 O GLY A 54 16.529 -13.227 -4.873 1.00 1.24 O ATOM 0 H GLY A 54 13.582 -13.672 -2.779 1.00 1.06 H new ATOM 0 HA2 GLY A 54 13.535 -12.008 -4.971 1.00 1.11 H new ATOM 0 HA3 GLY A 54 14.658 -11.898 -3.631 1.00 1.11 H new ATOM 838 N SER A 55 15.134 -13.018 -6.619 1.00 1.18 N ATOM 839 CA SER A 55 16.141 -13.392 -7.600 1.00 1.25 C ATOM 840 C SER A 55 17.353 -12.473 -7.497 1.00 1.11 C ATOM 841 O SER A 55 17.212 -11.252 -7.443 1.00 1.10 O ATOM 842 CB SER A 55 15.554 -13.335 -9.008 1.00 1.41 C ATOM 843 OG SER A 55 16.417 -13.948 -9.947 1.00 1.61 O ATOM 0 H SER A 55 14.216 -12.811 -7.012 1.00 1.18 H new ATOM 0 HA SER A 55 16.462 -14.413 -7.395 1.00 1.25 H new ATOM 0 HB2 SER A 55 14.585 -13.834 -9.021 1.00 1.41 H new ATOM 0 HB3 SER A 55 15.382 -12.297 -9.292 1.00 1.41 H new ATOM 0 HG SER A 55 16.017 -13.899 -10.840 1.00 1.61 H new ATOM 849 N LEU A 56 18.546 -13.064 -7.482 1.00 1.15 N ATOM 850 CA LEU A 56 19.785 -12.292 -7.377 1.00 1.10 C ATOM 851 C LEU A 56 19.749 -11.065 -8.283 1.00 0.98 C ATOM 852 O LEU A 56 20.006 -9.946 -7.839 1.00 0.97 O ATOM 853 CB LEU A 56 20.994 -13.166 -7.725 1.00 1.28 C ATOM 854 CG LEU A 56 21.448 -14.121 -6.619 1.00 2.03 C ATOM 855 CD1 LEU A 56 20.363 -15.141 -6.307 1.00 2.61 C ATOM 856 CD2 LEU A 56 22.739 -14.817 -7.016 1.00 2.83 C ATOM 0 H LEU A 56 18.682 -14.073 -7.541 1.00 1.15 H new ATOM 0 HA LEU A 56 19.878 -11.953 -6.345 1.00 1.10 H new ATOM 0 HB2 LEU A 56 20.755 -13.751 -8.613 1.00 1.28 H new ATOM 0 HB3 LEU A 56 21.829 -12.516 -7.987 1.00 1.28 H new ATOM 0 HG LEU A 56 21.633 -13.537 -5.717 1.00 2.03 H new ATOM 0 HD11 LEU A 56 20.708 -15.809 -5.518 1.00 2.61 H new ATOM 0 HD12 LEU A 56 19.462 -14.624 -5.977 1.00 2.61 H new ATOM 0 HD13 LEU A 56 20.141 -15.721 -7.203 1.00 2.61 H new ATOM 0 HD21 LEU A 56 23.048 -15.493 -6.218 1.00 2.83 H new ATOM 0 HD22 LEU A 56 22.579 -15.386 -7.932 1.00 2.83 H new ATOM 0 HD23 LEU A 56 23.517 -14.072 -7.183 1.00 2.83 H new ATOM 868 N ASP A 57 19.428 -11.283 -9.552 1.00 1.00 N ATOM 869 CA ASP A 57 19.348 -10.187 -10.510 1.00 1.01 C ATOM 870 C ASP A 57 18.244 -9.224 -10.125 1.00 0.95 C ATOM 871 O ASP A 57 18.456 -8.015 -10.057 1.00 0.96 O ATOM 872 CB ASP A 57 19.075 -10.700 -11.918 1.00 1.15 C ATOM 873 CG ASP A 57 18.091 -11.854 -11.945 1.00 1.69 C ATOM 874 OD1 ASP A 57 16.870 -11.597 -11.883 1.00 2.48 O ATOM 875 OD2 ASP A 57 18.542 -13.016 -12.028 1.00 2.20 O ATOM 0 H ASP A 57 19.220 -12.203 -9.940 1.00 1.00 H new ATOM 0 HA ASP A 57 20.311 -9.676 -10.495 1.00 1.01 H new ATOM 0 HB2 ASP A 57 18.687 -9.884 -12.528 1.00 1.15 H new ATOM 0 HB3 ASP A 57 20.014 -11.019 -12.372 1.00 1.15 H new ATOM 880 N GLU A 58 17.060 -9.773 -9.870 1.00 0.94 N ATOM 881 CA GLU A 58 15.903 -8.973 -9.492 1.00 0.95 C ATOM 882 C GLU A 58 16.286 -8.024 -8.377 1.00 0.87 C ATOM 883 O GLU A 58 15.927 -6.847 -8.388 1.00 0.90 O ATOM 884 CB GLU A 58 14.747 -9.873 -9.040 1.00 0.98 C ATOM 885 CG GLU A 58 13.448 -9.122 -8.811 1.00 1.43 C ATOM 886 CD GLU A 58 12.327 -10.030 -8.348 1.00 1.80 C ATOM 887 OE1 GLU A 58 11.604 -10.569 -9.211 1.00 2.29 O ATOM 888 OE2 GLU A 58 12.175 -10.206 -7.120 1.00 2.42 O ATOM 0 H GLU A 58 16.878 -10.775 -9.919 1.00 0.94 H new ATOM 0 HA GLU A 58 15.573 -8.401 -10.359 1.00 0.95 H new ATOM 0 HB2 GLU A 58 14.583 -10.645 -9.792 1.00 0.98 H new ATOM 0 HB3 GLU A 58 15.031 -10.380 -8.118 1.00 0.98 H new ATOM 0 HG2 GLU A 58 13.610 -8.341 -8.068 1.00 1.43 H new ATOM 0 HG3 GLU A 58 13.151 -8.626 -9.735 1.00 1.43 H new ATOM 895 N LYS A 59 17.034 -8.552 -7.420 1.00 0.81 N ATOM 896 CA LYS A 59 17.489 -7.762 -6.300 1.00 0.76 C ATOM 897 C LYS A 59 18.409 -6.652 -6.776 1.00 0.80 C ATOM 898 O LYS A 59 18.500 -5.603 -6.147 1.00 0.79 O ATOM 899 CB LYS A 59 18.186 -8.653 -5.270 1.00 0.75 C ATOM 900 CG LYS A 59 17.300 -9.787 -4.774 1.00 0.75 C ATOM 901 CD LYS A 59 18.113 -10.910 -4.146 1.00 1.14 C ATOM 902 CE LYS A 59 19.024 -10.410 -3.039 1.00 1.95 C ATOM 903 NZ LYS A 59 20.015 -11.445 -2.633 1.00 2.67 N ATOM 0 H LYS A 59 17.336 -9.526 -7.402 1.00 0.81 H new ATOM 0 HA LYS A 59 16.626 -7.301 -5.819 1.00 0.76 H new ATOM 0 HB2 LYS A 59 19.091 -9.071 -5.711 1.00 0.75 H new ATOM 0 HB3 LYS A 59 18.498 -8.044 -4.421 1.00 0.75 H new ATOM 0 HG2 LYS A 59 16.590 -9.400 -4.043 1.00 0.75 H new ATOM 0 HG3 LYS A 59 16.717 -10.182 -5.606 1.00 0.75 H new ATOM 0 HD2 LYS A 59 17.437 -11.665 -3.744 1.00 1.14 H new ATOM 0 HD3 LYS A 59 18.713 -11.396 -4.916 1.00 1.14 H new ATOM 0 HE2 LYS A 59 19.549 -9.516 -3.375 1.00 1.95 H new ATOM 0 HE3 LYS A 59 18.424 -10.122 -2.176 1.00 1.95 H new ATOM 0 HZ1 LYS A 59 20.456 -11.169 -1.733 1.00 2.67 H new ATOM 0 HZ2 LYS A 59 19.534 -12.360 -2.516 1.00 2.67 H new ATOM 0 HZ3 LYS A 59 20.748 -11.530 -3.366 1.00 2.67 H new ATOM 917 N MET A 60 19.086 -6.896 -7.894 1.00 0.86 N ATOM 918 CA MET A 60 19.992 -5.919 -8.472 1.00 0.92 C ATOM 919 C MET A 60 19.241 -4.879 -9.300 1.00 0.96 C ATOM 920 O MET A 60 19.544 -3.687 -9.241 1.00 1.01 O ATOM 921 CB MET A 60 21.043 -6.614 -9.338 1.00 1.00 C ATOM 922 CG MET A 60 21.977 -7.518 -8.552 1.00 1.00 C ATOM 923 SD MET A 60 23.196 -8.333 -9.600 1.00 1.73 S ATOM 924 CE MET A 60 24.056 -6.918 -10.285 1.00 2.31 C ATOM 0 H MET A 60 19.021 -7.769 -8.418 1.00 0.86 H new ATOM 0 HA MET A 60 20.487 -5.403 -7.650 1.00 0.92 H new ATOM 0 HB2 MET A 60 20.539 -7.204 -10.103 1.00 1.00 H new ATOM 0 HB3 MET A 60 21.633 -5.858 -9.856 1.00 1.00 H new ATOM 0 HG2 MET A 60 22.492 -6.930 -7.792 1.00 1.00 H new ATOM 0 HG3 MET A 60 21.391 -8.273 -8.028 1.00 1.00 H new ATOM 0 HE1 MET A 60 25.032 -7.230 -10.656 1.00 2.31 H new ATOM 0 HE2 MET A 60 23.473 -6.500 -11.106 1.00 2.31 H new ATOM 0 HE3 MET A 60 24.187 -6.162 -9.511 1.00 2.31 H new ATOM 934 N LYS A 61 18.262 -5.338 -10.074 1.00 0.97 N ATOM 935 CA LYS A 61 17.476 -4.440 -10.923 1.00 1.02 C ATOM 936 C LYS A 61 16.560 -3.587 -10.075 1.00 0.96 C ATOM 937 O LYS A 61 16.536 -2.362 -10.191 1.00 0.92 O ATOM 938 CB LYS A 61 16.614 -5.206 -11.942 1.00 1.08 C ATOM 939 CG LYS A 61 17.006 -6.657 -12.174 1.00 1.55 C ATOM 940 CD LYS A 61 18.455 -6.799 -12.617 1.00 2.07 C ATOM 941 CE LYS A 61 18.749 -5.950 -13.844 1.00 2.59 C ATOM 942 NZ LYS A 61 20.152 -6.120 -14.312 1.00 3.16 N ATOM 0 H LYS A 61 17.993 -6.320 -10.133 1.00 0.97 H new ATOM 0 HA LYS A 61 18.190 -3.820 -11.466 1.00 1.02 H new ATOM 0 HB2 LYS A 61 15.577 -5.177 -11.608 1.00 1.08 H new ATOM 0 HB3 LYS A 61 16.657 -4.680 -12.896 1.00 1.08 H new ATOM 0 HG2 LYS A 61 16.852 -7.224 -11.256 1.00 1.55 H new ATOM 0 HG3 LYS A 61 16.353 -7.091 -12.931 1.00 1.55 H new ATOM 0 HD2 LYS A 61 19.116 -6.504 -11.802 1.00 2.07 H new ATOM 0 HD3 LYS A 61 18.668 -7.845 -12.838 1.00 2.07 H new ATOM 0 HE2 LYS A 61 18.063 -6.221 -14.646 1.00 2.59 H new ATOM 0 HE3 LYS A 61 18.568 -4.901 -13.611 1.00 2.59 H new ATOM 0 HZ1 LYS A 61 20.313 -5.525 -15.150 1.00 3.16 H new ATOM 0 HZ2 LYS A 61 20.807 -5.837 -13.555 1.00 3.16 H new ATOM 0 HZ3 LYS A 61 20.317 -7.117 -14.558 1.00 3.16 H new ATOM 956 N THR A 62 15.807 -4.255 -9.216 1.00 0.98 N ATOM 957 CA THR A 62 14.855 -3.588 -8.346 1.00 0.96 C ATOM 958 C THR A 62 15.455 -2.343 -7.704 1.00 0.86 C ATOM 959 O THR A 62 14.735 -1.408 -7.355 1.00 0.84 O ATOM 960 CB THR A 62 14.333 -4.539 -7.257 1.00 1.02 C ATOM 961 OG1 THR A 62 13.754 -5.702 -7.867 1.00 1.12 O ATOM 962 CG2 THR A 62 13.291 -3.847 -6.394 1.00 1.05 C ATOM 0 H THR A 62 15.839 -5.268 -9.103 1.00 0.98 H new ATOM 0 HA THR A 62 14.018 -3.280 -8.972 1.00 0.96 H new ATOM 0 HB THR A 62 15.171 -4.834 -6.625 1.00 1.02 H new ATOM 0 HG1 THR A 62 14.453 -6.213 -8.325 1.00 1.12 H new ATOM 0 HG21 THR A 62 12.935 -4.538 -5.630 1.00 1.05 H new ATOM 0 HG22 THR A 62 13.736 -2.974 -5.916 1.00 1.05 H new ATOM 0 HG23 THR A 62 12.454 -3.532 -7.017 1.00 1.05 H new ATOM 970 N LEU A 63 16.777 -2.331 -7.551 1.00 0.86 N ATOM 971 CA LEU A 63 17.455 -1.176 -6.976 1.00 0.84 C ATOM 972 C LEU A 63 17.050 0.089 -7.722 1.00 0.80 C ATOM 973 O LEU A 63 16.121 0.790 -7.322 1.00 0.89 O ATOM 974 CB LEU A 63 18.975 -1.345 -7.040 1.00 0.95 C ATOM 975 CG LEU A 63 19.612 -2.095 -5.868 1.00 0.92 C ATOM 976 CD1 LEU A 63 20.063 -3.472 -6.311 1.00 1.05 C ATOM 977 CD2 LEU A 63 20.793 -1.317 -5.306 1.00 1.40 C ATOM 0 H LEU A 63 17.393 -3.100 -7.814 1.00 0.86 H new ATOM 0 HA LEU A 63 17.159 -1.094 -5.930 1.00 0.84 H new ATOM 0 HB2 LEU A 63 19.225 -1.871 -7.962 1.00 0.95 H new ATOM 0 HB3 LEU A 63 19.429 -0.356 -7.104 1.00 0.95 H new ATOM 0 HG LEU A 63 18.863 -2.200 -5.083 1.00 0.92 H new ATOM 0 HD11 LEU A 63 20.515 -3.996 -5.468 1.00 1.05 H new ATOM 0 HD12 LEU A 63 19.204 -4.038 -6.672 1.00 1.05 H new ATOM 0 HD13 LEU A 63 20.796 -3.375 -7.112 1.00 1.05 H new ATOM 0 HD21 LEU A 63 21.230 -1.869 -4.474 1.00 1.40 H new ATOM 0 HD22 LEU A 63 21.543 -1.181 -6.085 1.00 1.40 H new ATOM 0 HD23 LEU A 63 20.453 -0.342 -4.956 1.00 1.40 H new ATOM 989 N ASP A 64 17.729 0.361 -8.833 1.00 0.79 N ATOM 990 CA ASP A 64 17.428 1.551 -9.619 1.00 0.82 C ATOM 991 C ASP A 64 15.939 1.616 -9.936 1.00 0.82 C ATOM 992 O ASP A 64 15.379 2.703 -10.071 1.00 0.89 O ATOM 993 CB ASP A 64 18.287 1.592 -10.884 1.00 0.91 C ATOM 994 CG ASP A 64 17.775 2.562 -11.937 1.00 1.35 C ATOM 995 OD1 ASP A 64 16.911 2.160 -12.745 1.00 2.05 O ATOM 996 OD2 ASP A 64 18.243 3.719 -11.955 1.00 1.99 O ATOM 0 H ASP A 64 18.481 -0.219 -9.205 1.00 0.79 H new ATOM 0 HA ASP A 64 17.676 2.435 -9.032 1.00 0.82 H new ATOM 0 HB2 ASP A 64 19.306 1.868 -10.612 1.00 0.91 H new ATOM 0 HB3 ASP A 64 18.332 0.592 -11.315 1.00 0.91 H new ATOM 1001 N VAL A 65 15.294 0.455 -10.057 1.00 0.82 N ATOM 1002 CA VAL A 65 13.858 0.429 -10.303 1.00 0.87 C ATOM 1003 C VAL A 65 13.181 1.219 -9.191 1.00 0.77 C ATOM 1004 O VAL A 65 12.741 2.349 -9.401 1.00 0.82 O ATOM 1005 CB VAL A 65 13.299 -1.009 -10.354 1.00 0.95 C ATOM 1006 CG1 VAL A 65 11.785 -0.987 -10.500 1.00 1.06 C ATOM 1007 CG2 VAL A 65 13.934 -1.784 -11.499 1.00 1.07 C ATOM 0 H VAL A 65 15.736 -0.462 -9.990 1.00 0.82 H new ATOM 0 HA VAL A 65 13.657 0.873 -11.278 1.00 0.87 H new ATOM 0 HB VAL A 65 13.547 -1.510 -9.418 1.00 0.95 H new ATOM 0 HG11 VAL A 65 11.408 -2.009 -10.534 1.00 1.06 H new ATOM 0 HG12 VAL A 65 11.345 -0.466 -9.650 1.00 1.06 H new ATOM 0 HG13 VAL A 65 11.516 -0.470 -11.421 1.00 1.06 H new ATOM 0 HG21 VAL A 65 13.530 -2.796 -11.522 1.00 1.07 H new ATOM 0 HG22 VAL A 65 13.715 -1.284 -12.442 1.00 1.07 H new ATOM 0 HG23 VAL A 65 15.013 -1.828 -11.354 1.00 1.07 H new ATOM 1017 N ASN A 66 13.096 0.618 -8.006 1.00 0.72 N ATOM 1018 CA ASN A 66 12.547 1.310 -6.845 1.00 0.68 C ATOM 1019 C ASN A 66 13.645 2.130 -6.169 1.00 0.57 C ATOM 1020 O ASN A 66 13.797 2.098 -4.949 1.00 0.57 O ATOM 1021 CB ASN A 66 11.950 0.336 -5.838 1.00 0.82 C ATOM 1022 CG ASN A 66 11.315 -0.875 -6.490 1.00 0.81 C ATOM 1023 OD1 ASN A 66 10.868 -0.817 -7.635 1.00 1.51 O ATOM 1024 ND2 ASN A 66 11.270 -1.981 -5.756 1.00 1.10 N ATOM 0 H ASN A 66 13.398 -0.340 -7.826 1.00 0.72 H new ATOM 0 HA ASN A 66 11.749 1.965 -7.194 1.00 0.68 H new ATOM 0 HB2 ASN A 66 12.731 0.005 -5.154 1.00 0.82 H new ATOM 0 HB3 ASN A 66 11.201 0.854 -5.240 1.00 0.82 H new ATOM 0 HD21 ASN A 66 10.852 -2.830 -6.137 1.00 1.10 H new ATOM 0 HD22 ASN A 66 11.654 -1.982 -4.811 1.00 1.10 H new ATOM 1031 N GLN A 67 14.395 2.876 -6.967 1.00 0.62 N ATOM 1032 CA GLN A 67 15.494 3.676 -6.476 1.00 0.68 C ATOM 1033 C GLN A 67 14.995 4.585 -5.361 1.00 0.61 C ATOM 1034 O GLN A 67 15.505 4.583 -4.241 1.00 0.66 O ATOM 1035 CB GLN A 67 16.084 4.444 -7.689 1.00 0.88 C ATOM 1036 CG GLN A 67 16.517 5.867 -7.439 1.00 0.74 C ATOM 1037 CD GLN A 67 15.551 6.942 -7.904 1.00 1.15 C ATOM 1038 OE1 GLN A 67 15.947 8.088 -8.114 1.00 1.97 O ATOM 1039 NE2 GLN A 67 14.294 6.585 -8.101 1.00 1.36 N ATOM 0 H GLN A 67 14.253 2.940 -7.975 1.00 0.62 H new ATOM 0 HA GLN A 67 16.289 3.072 -6.039 1.00 0.68 H new ATOM 0 HB2 GLN A 67 16.944 3.886 -8.061 1.00 0.88 H new ATOM 0 HB3 GLN A 67 15.339 4.449 -8.485 1.00 0.88 H new ATOM 0 HG2 GLN A 67 16.685 5.993 -6.369 1.00 0.74 H new ATOM 0 HG3 GLN A 67 17.475 6.028 -7.933 1.00 0.74 H new ATOM 0 HE21 GLN A 67 14.001 5.626 -7.916 1.00 1.36 H new ATOM 0 HE22 GLN A 67 13.616 7.269 -8.438 1.00 1.36 H new ATOM 1048 N ASP A 68 13.988 5.348 -5.708 1.00 0.59 N ATOM 1049 CA ASP A 68 13.339 6.277 -4.805 1.00 0.62 C ATOM 1050 C ASP A 68 12.169 5.579 -4.136 1.00 0.59 C ATOM 1051 O ASP A 68 11.226 6.251 -3.723 1.00 0.66 O ATOM 1052 CB ASP A 68 12.847 7.511 -5.565 1.00 0.74 C ATOM 1053 CG ASP A 68 13.976 8.447 -5.949 1.00 1.00 C ATOM 1054 OD1 ASP A 68 14.885 8.656 -5.118 1.00 1.62 O ATOM 1055 OD2 ASP A 68 13.946 8.979 -7.079 1.00 1.51 O ATOM 0 H ASP A 68 13.585 5.343 -6.645 1.00 0.59 H new ATOM 0 HA ASP A 68 14.055 6.604 -4.051 1.00 0.62 H new ATOM 0 HB2 ASP A 68 12.321 7.193 -6.465 1.00 0.74 H new ATOM 0 HB3 ASP A 68 12.127 8.050 -4.949 1.00 0.74 H new ATOM 1060 N SER A 69 12.235 4.230 -4.014 1.00 0.56 N ATOM 1061 CA SER A 69 11.135 3.434 -3.443 1.00 0.59 C ATOM 1062 C SER A 69 10.524 4.197 -2.314 1.00 0.63 C ATOM 1063 O SER A 69 9.307 4.282 -2.169 1.00 0.75 O ATOM 1064 CB SER A 69 11.642 2.089 -2.924 1.00 0.68 C ATOM 1065 OG SER A 69 12.609 2.270 -1.904 1.00 1.75 O ATOM 0 H SER A 69 13.041 3.676 -4.305 1.00 0.56 H new ATOM 0 HA SER A 69 10.397 3.245 -4.223 1.00 0.59 H new ATOM 0 HB2 SER A 69 10.806 1.506 -2.538 1.00 0.68 H new ATOM 0 HB3 SER A 69 12.077 1.519 -3.745 1.00 0.68 H new ATOM 0 HG SER A 69 12.683 1.449 -1.374 1.00 1.75 H new ATOM 1071 N GLU A 70 11.418 4.814 -1.575 1.00 0.64 N ATOM 1072 CA GLU A 70 11.044 5.650 -0.472 1.00 0.76 C ATOM 1073 C GLU A 70 11.689 6.996 -0.620 1.00 0.78 C ATOM 1074 O GLU A 70 12.686 7.163 -1.323 1.00 0.81 O ATOM 1075 CB GLU A 70 11.444 5.085 0.874 1.00 0.85 C ATOM 1076 CG GLU A 70 11.246 6.108 1.977 1.00 1.33 C ATOM 1077 CD GLU A 70 11.369 5.538 3.338 1.00 2.19 C ATOM 1078 OE1 GLU A 70 11.902 4.428 3.448 1.00 2.72 O ATOM 1079 OE2 GLU A 70 10.932 6.208 4.298 1.00 2.88 O ATOM 0 H GLU A 70 12.424 4.746 -1.727 1.00 0.64 H new ATOM 0 HA GLU A 70 9.956 5.717 -0.496 1.00 0.76 H new ATOM 0 HB2 GLU A 70 10.852 4.195 1.089 1.00 0.85 H new ATOM 0 HB3 GLU A 70 12.488 4.774 0.845 1.00 0.85 H new ATOM 0 HG2 GLU A 70 11.979 6.906 1.858 1.00 1.33 H new ATOM 0 HG3 GLU A 70 10.261 6.562 1.869 1.00 1.33 H new ATOM 1086 N LEU A 71 11.087 7.954 0.022 1.00 0.79 N ATOM 1087 CA LEU A 71 11.586 9.266 -0.011 1.00 0.83 C ATOM 1088 C LEU A 71 11.259 10.057 1.231 1.00 0.81 C ATOM 1089 O LEU A 71 10.455 9.656 2.072 1.00 0.86 O ATOM 1090 CB LEU A 71 11.083 9.953 -1.230 1.00 0.99 C ATOM 1091 CG LEU A 71 9.605 9.740 -1.483 1.00 0.79 C ATOM 1092 CD1 LEU A 71 9.318 8.280 -1.872 1.00 1.89 C ATOM 1093 CD2 LEU A 71 8.799 10.158 -0.275 1.00 1.26 C ATOM 0 H LEU A 71 10.240 7.832 0.577 1.00 0.79 H new ATOM 0 HA LEU A 71 12.674 9.204 -0.043 1.00 0.83 H new ATOM 0 HB2 LEU A 71 11.277 11.022 -1.140 1.00 0.99 H new ATOM 0 HB3 LEU A 71 11.645 9.599 -2.094 1.00 0.99 H new ATOM 0 HG LEU A 71 9.304 10.366 -2.323 1.00 0.79 H new ATOM 0 HD11 LEU A 71 8.250 8.154 -2.048 1.00 1.89 H new ATOM 0 HD12 LEU A 71 9.868 8.031 -2.780 1.00 1.89 H new ATOM 0 HD13 LEU A 71 9.633 7.620 -1.064 1.00 1.89 H new ATOM 0 HD21 LEU A 71 7.739 9.999 -0.472 1.00 1.26 H new ATOM 0 HD22 LEU A 71 9.101 9.563 0.587 1.00 1.26 H new ATOM 0 HD23 LEU A 71 8.975 11.213 -0.068 1.00 1.26 H new ATOM 1105 N ARG A 72 11.905 11.185 1.315 1.00 0.77 N ATOM 1106 CA ARG A 72 11.710 12.134 2.374 1.00 0.79 C ATOM 1107 C ARG A 72 10.922 13.327 1.829 1.00 0.68 C ATOM 1108 O ARG A 72 10.214 14.009 2.566 1.00 0.75 O ATOM 1109 CB ARG A 72 13.070 12.599 2.848 1.00 0.91 C ATOM 1110 CG ARG A 72 14.074 11.471 2.969 1.00 1.00 C ATOM 1111 CD ARG A 72 13.513 10.314 3.779 1.00 1.06 C ATOM 1112 NE ARG A 72 12.964 10.754 5.059 1.00 1.30 N ATOM 1113 CZ ARG A 72 12.088 10.047 5.765 1.00 1.18 C ATOM 1114 NH1 ARG A 72 11.659 8.876 5.315 1.00 1.56 N ATOM 1115 NH2 ARG A 72 11.637 10.512 6.923 1.00 1.42 N ATOM 0 H ARG A 72 12.601 11.478 0.630 1.00 0.77 H new ATOM 0 HA ARG A 72 11.160 11.683 3.200 1.00 0.79 H new ATOM 0 HB2 ARG A 72 13.454 13.347 2.154 1.00 0.91 H new ATOM 0 HB3 ARG A 72 12.963 13.088 3.816 1.00 0.91 H new ATOM 0 HG2 ARG A 72 14.351 11.120 1.975 1.00 1.00 H new ATOM 0 HG3 ARG A 72 14.984 11.841 3.442 1.00 1.00 H new ATOM 0 HD2 ARG A 72 12.734 9.814 3.204 1.00 1.06 H new ATOM 0 HD3 ARG A 72 14.300 9.581 3.955 1.00 1.06 H new ATOM 0 HE ARG A 72 13.270 11.653 5.431 1.00 1.30 H new ATOM 0 HH11 ARG A 72 12.001 8.515 4.424 1.00 1.56 H new ATOM 0 HH12 ARG A 72 10.987 8.336 5.859 1.00 1.56 H new ATOM 0 HH21 ARG A 72 11.963 11.413 7.272 1.00 1.42 H new ATOM 0 HH22 ARG A 72 10.965 9.968 7.464 1.00 1.42 H new ATOM 1129 N PHE A 73 11.055 13.554 0.513 1.00 0.60 N ATOM 1130 CA PHE A 73 10.383 14.667 -0.160 1.00 0.57 C ATOM 1131 C PHE A 73 9.088 14.257 -0.890 1.00 0.51 C ATOM 1132 O PHE A 73 8.163 13.756 -0.255 1.00 0.63 O ATOM 1133 CB PHE A 73 11.344 15.417 -1.103 1.00 0.64 C ATOM 1134 CG PHE A 73 12.136 14.571 -2.075 1.00 0.58 C ATOM 1135 CD1 PHE A 73 11.848 13.230 -2.296 1.00 1.24 C ATOM 1136 CD2 PHE A 73 13.196 15.138 -2.761 1.00 1.36 C ATOM 1137 CE1 PHE A 73 12.601 12.483 -3.176 1.00 1.31 C ATOM 1138 CE2 PHE A 73 13.949 14.396 -3.647 1.00 1.44 C ATOM 1139 CZ PHE A 73 13.652 13.068 -3.855 1.00 0.86 C ATOM 0 H PHE A 73 11.625 12.977 -0.105 1.00 0.60 H new ATOM 0 HA PHE A 73 10.076 15.350 0.632 1.00 0.57 H new ATOM 0 HB2 PHE A 73 10.764 16.141 -1.675 1.00 0.64 H new ATOM 0 HB3 PHE A 73 12.047 15.983 -0.493 1.00 0.64 H new ATOM 0 HD1 PHE A 73 11.025 12.768 -1.772 1.00 1.24 H new ATOM 0 HD2 PHE A 73 13.437 16.178 -2.600 1.00 1.36 H new ATOM 0 HE1 PHE A 73 12.369 11.440 -3.335 1.00 1.31 H new ATOM 0 HE2 PHE A 73 14.770 14.856 -4.177 1.00 1.44 H new ATOM 0 HZ PHE A 73 14.240 12.484 -4.548 1.00 0.86 H new ATOM 1149 N SER A 74 9.012 14.438 -2.221 1.00 0.48 N ATOM 1150 CA SER A 74 7.762 14.153 -2.935 1.00 0.46 C ATOM 1151 C SER A 74 7.820 12.953 -3.834 1.00 0.42 C ATOM 1152 O SER A 74 6.939 12.755 -4.671 1.00 0.47 O ATOM 1153 CB SER A 74 7.305 15.356 -3.752 1.00 0.60 C ATOM 1154 OG SER A 74 8.409 16.040 -4.319 1.00 1.01 O ATOM 0 H SER A 74 9.778 14.770 -2.806 1.00 0.48 H new ATOM 0 HA SER A 74 7.044 13.930 -2.146 1.00 0.46 H new ATOM 0 HB2 SER A 74 6.632 15.027 -4.544 1.00 0.60 H new ATOM 0 HB3 SER A 74 6.740 16.037 -3.116 1.00 0.60 H new ATOM 0 HG SER A 74 8.087 16.806 -4.839 1.00 1.01 H new ATOM 1160 N GLU A 75 8.827 12.145 -3.673 1.00 0.43 N ATOM 1161 CA GLU A 75 8.916 10.946 -4.478 1.00 0.42 C ATOM 1162 C GLU A 75 7.950 9.873 -3.951 1.00 0.42 C ATOM 1163 O GLU A 75 7.851 8.795 -4.531 1.00 0.55 O ATOM 1164 CB GLU A 75 10.343 10.401 -4.427 1.00 0.44 C ATOM 1165 CG GLU A 75 11.304 11.015 -5.405 1.00 0.60 C ATOM 1166 CD GLU A 75 11.059 10.587 -6.837 1.00 0.93 C ATOM 1167 OE1 GLU A 75 10.497 9.490 -7.041 1.00 1.60 O ATOM 1168 OE2 GLU A 75 11.430 11.348 -7.755 1.00 1.42 O ATOM 0 H GLU A 75 9.588 12.283 -3.008 1.00 0.43 H new ATOM 0 HA GLU A 75 8.648 11.195 -5.505 1.00 0.42 H new ATOM 0 HB2 GLU A 75 10.734 10.547 -3.420 1.00 0.44 H new ATOM 0 HB3 GLU A 75 10.309 9.326 -4.603 1.00 0.44 H new ATOM 0 HG2 GLU A 75 11.233 12.101 -5.341 1.00 0.60 H new ATOM 0 HG3 GLU A 75 12.321 10.745 -5.122 1.00 0.60 H new ATOM 1175 N TYR A 76 7.247 10.185 -2.825 1.00 0.38 N ATOM 1176 CA TYR A 76 6.341 9.251 -2.130 1.00 0.38 C ATOM 1177 C TYR A 76 5.541 8.387 -3.066 1.00 0.39 C ATOM 1178 O TYR A 76 5.087 7.308 -2.689 1.00 0.43 O ATOM 1179 CB TYR A 76 5.415 10.004 -1.178 1.00 0.40 C ATOM 1180 CG TYR A 76 5.814 9.887 0.279 1.00 0.41 C ATOM 1181 CD1 TYR A 76 6.404 8.731 0.779 1.00 1.22 C ATOM 1182 CD2 TYR A 76 5.664 10.964 1.138 1.00 1.29 C ATOM 1183 CE1 TYR A 76 6.820 8.654 2.080 1.00 1.25 C ATOM 1184 CE2 TYR A 76 6.089 10.895 2.448 1.00 1.30 C ATOM 1185 CZ TYR A 76 6.669 9.737 2.916 1.00 0.49 C ATOM 1186 OH TYR A 76 7.094 9.662 4.223 1.00 0.55 O ATOM 0 H TYR A 76 7.300 11.101 -2.379 1.00 0.38 H new ATOM 0 HA TYR A 76 6.980 8.578 -1.558 1.00 0.38 H new ATOM 0 HB2 TYR A 76 5.399 11.057 -1.458 1.00 0.40 H new ATOM 0 HB3 TYR A 76 4.399 9.627 -1.299 1.00 0.40 H new ATOM 0 HD1 TYR A 76 6.536 7.879 0.129 1.00 1.22 H new ATOM 0 HD2 TYR A 76 5.207 11.873 0.775 1.00 1.29 H new ATOM 0 HE1 TYR A 76 7.267 7.744 2.451 1.00 1.25 H new ATOM 0 HE2 TYR A 76 5.968 11.745 3.104 1.00 1.30 H new ATOM 0 HH TYR A 76 6.914 10.513 4.675 1.00 0.55 H new ATOM 1196 N TRP A 77 5.376 8.838 -4.284 1.00 0.39 N ATOM 1197 CA TRP A 77 4.671 8.037 -5.264 1.00 0.43 C ATOM 1198 C TRP A 77 5.428 6.727 -5.493 1.00 0.45 C ATOM 1199 O TRP A 77 4.908 5.814 -6.125 1.00 0.49 O ATOM 1200 CB TRP A 77 4.546 8.775 -6.590 1.00 0.44 C ATOM 1201 CG TRP A 77 5.873 9.035 -7.215 1.00 0.44 C ATOM 1202 CD1 TRP A 77 6.735 8.103 -7.706 1.00 0.49 C ATOM 1203 CD2 TRP A 77 6.499 10.303 -7.397 1.00 0.45 C ATOM 1204 NE1 TRP A 77 7.863 8.714 -8.184 1.00 0.52 N ATOM 1205 CE2 TRP A 77 7.740 10.070 -8.011 1.00 0.50 C ATOM 1206 CE3 TRP A 77 6.126 11.613 -7.103 1.00 0.46 C ATOM 1207 CZ2 TRP A 77 8.614 11.104 -8.335 1.00 0.55 C ATOM 1208 CZ3 TRP A 77 6.990 12.639 -7.421 1.00 0.51 C ATOM 1209 CH2 TRP A 77 8.222 12.381 -8.033 1.00 0.55 C ATOM 0 H TRP A 77 5.712 9.740 -4.621 1.00 0.39 H new ATOM 0 HA TRP A 77 3.671 7.835 -4.881 1.00 0.43 H new ATOM 0 HB2 TRP A 77 3.932 8.189 -7.274 1.00 0.44 H new ATOM 0 HB3 TRP A 77 4.030 9.721 -6.430 1.00 0.44 H new ATOM 0 HD1 TRP A 77 6.555 7.038 -7.717 1.00 0.49 H new ATOM 0 HE1 TRP A 77 8.664 8.239 -8.601 1.00 0.52 H new ATOM 0 HE3 TRP A 77 5.176 11.821 -6.634 1.00 0.46 H new ATOM 0 HZ2 TRP A 77 9.565 10.907 -8.807 1.00 0.55 H new ATOM 0 HZ3 TRP A 77 6.712 13.658 -7.194 1.00 0.51 H new ATOM 0 HH2 TRP A 77 8.877 13.206 -8.272 1.00 0.55 H new ATOM 1220 N ARG A 78 6.671 6.638 -4.986 1.00 0.43 N ATOM 1221 CA ARG A 78 7.471 5.443 -5.160 1.00 0.47 C ATOM 1222 C ARG A 78 6.994 4.368 -4.190 1.00 0.49 C ATOM 1223 O ARG A 78 6.840 3.209 -4.577 1.00 0.61 O ATOM 1224 CB ARG A 78 8.958 5.781 -4.992 1.00 0.50 C ATOM 1225 CG ARG A 78 9.537 6.539 -6.174 1.00 0.60 C ATOM 1226 CD ARG A 78 9.659 5.653 -7.404 1.00 0.77 C ATOM 1227 NE ARG A 78 10.150 6.394 -8.563 1.00 1.48 N ATOM 1228 CZ ARG A 78 10.292 5.860 -9.771 1.00 1.75 C ATOM 1229 NH1 ARG A 78 9.985 4.587 -9.976 1.00 1.37 N ATOM 1230 NH2 ARG A 78 10.741 6.600 -10.776 1.00 2.82 N ATOM 0 H ARG A 78 7.128 7.381 -4.458 1.00 0.43 H new ATOM 0 HA ARG A 78 7.350 5.047 -6.168 1.00 0.47 H new ATOM 0 HB2 ARG A 78 9.089 6.376 -4.088 1.00 0.50 H new ATOM 0 HB3 ARG A 78 9.520 4.858 -4.850 1.00 0.50 H new ATOM 0 HG2 ARG A 78 8.903 7.395 -6.404 1.00 0.60 H new ATOM 0 HG3 ARG A 78 10.519 6.932 -5.909 1.00 0.60 H new ATOM 0 HD2 ARG A 78 10.335 4.825 -7.189 1.00 0.77 H new ATOM 0 HD3 ARG A 78 8.687 5.219 -7.636 1.00 0.77 H new ATOM 0 HE ARG A 78 10.397 7.376 -8.438 1.00 1.48 H new ATOM 0 HH11 ARG A 78 9.639 4.015 -9.205 1.00 1.37 H new ATOM 0 HH12 ARG A 78 10.095 4.179 -10.904 1.00 1.37 H new ATOM 0 HH21 ARG A 78 10.978 7.580 -10.622 1.00 2.82 H new ATOM 0 HH22 ARG A 78 10.850 6.189 -11.703 1.00 2.82 H new ATOM 1244 N LEU A 79 6.760 4.740 -2.924 1.00 0.43 N ATOM 1245 CA LEU A 79 6.221 3.793 -1.968 1.00 0.46 C ATOM 1246 C LEU A 79 4.822 3.359 -2.387 1.00 0.47 C ATOM 1247 O LEU A 79 4.272 2.395 -1.861 1.00 0.53 O ATOM 1248 CB LEU A 79 6.166 4.414 -0.586 1.00 0.55 C ATOM 1249 CG LEU A 79 7.513 4.909 -0.082 1.00 0.63 C ATOM 1250 CD1 LEU A 79 7.328 5.800 1.123 1.00 1.24 C ATOM 1251 CD2 LEU A 79 8.413 3.734 0.268 1.00 0.89 C ATOM 0 H LEU A 79 6.935 5.674 -2.553 1.00 0.43 H new ATOM 0 HA LEU A 79 6.874 2.921 -1.942 1.00 0.46 H new ATOM 0 HB2 LEU A 79 5.465 5.248 -0.600 1.00 0.55 H new ATOM 0 HB3 LEU A 79 5.773 3.679 0.117 1.00 0.55 H new ATOM 0 HG LEU A 79 7.987 5.487 -0.875 1.00 0.63 H new ATOM 0 HD11 LEU A 79 8.301 6.146 1.472 1.00 1.24 H new ATOM 0 HD12 LEU A 79 6.714 6.658 0.850 1.00 1.24 H new ATOM 0 HD13 LEU A 79 6.836 5.240 1.918 1.00 1.24 H new ATOM 0 HD21 LEU A 79 9.373 4.105 0.627 1.00 0.89 H new ATOM 0 HD22 LEU A 79 7.942 3.134 1.047 1.00 0.89 H new ATOM 0 HD23 LEU A 79 8.570 3.119 -0.618 1.00 0.89 H new ATOM 1263 N ILE A 80 4.240 4.081 -3.335 1.00 0.46 N ATOM 1264 CA ILE A 80 2.915 3.767 -3.812 1.00 0.49 C ATOM 1265 C ILE A 80 2.796 2.285 -4.191 1.00 0.49 C ATOM 1266 O ILE A 80 1.911 1.583 -3.700 1.00 0.51 O ATOM 1267 CB ILE A 80 2.525 4.720 -4.981 1.00 0.53 C ATOM 1268 CG1 ILE A 80 1.043 5.082 -4.904 1.00 0.60 C ATOM 1269 CG2 ILE A 80 2.840 4.124 -6.343 1.00 0.57 C ATOM 1270 CD1 ILE A 80 0.634 6.163 -5.882 1.00 1.16 C ATOM 0 H ILE A 80 4.672 4.888 -3.785 1.00 0.46 H new ATOM 0 HA ILE A 80 2.201 3.932 -3.005 1.00 0.49 H new ATOM 0 HB ILE A 80 3.127 5.621 -4.869 1.00 0.53 H new ATOM 0 HG12 ILE A 80 0.448 4.188 -5.093 1.00 0.60 H new ATOM 0 HG13 ILE A 80 0.810 5.412 -3.892 1.00 0.60 H new ATOM 0 HG21 ILE A 80 2.550 4.827 -7.124 1.00 0.57 H new ATOM 0 HG22 ILE A 80 3.909 3.924 -6.414 1.00 0.57 H new ATOM 0 HG23 ILE A 80 2.288 3.193 -6.469 1.00 0.57 H new ATOM 0 HD11 ILE A 80 -0.431 6.369 -5.772 1.00 1.16 H new ATOM 0 HD12 ILE A 80 1.202 7.071 -5.680 1.00 1.16 H new ATOM 0 HD13 ILE A 80 0.835 5.828 -6.900 1.00 1.16 H new ATOM 1282 N GLY A 81 3.684 1.818 -5.060 1.00 0.48 N ATOM 1283 CA GLY A 81 3.669 0.423 -5.454 1.00 0.49 C ATOM 1284 C GLY A 81 4.360 -0.464 -4.434 1.00 0.43 C ATOM 1285 O GLY A 81 4.426 -1.681 -4.603 1.00 0.43 O ATOM 0 H GLY A 81 4.414 2.380 -5.498 1.00 0.48 H new ATOM 0 HA2 GLY A 81 2.638 0.093 -5.581 1.00 0.49 H new ATOM 0 HA3 GLY A 81 4.160 0.314 -6.421 1.00 0.49 H new ATOM 1289 N GLU A 82 4.874 0.151 -3.369 1.00 0.41 N ATOM 1290 CA GLU A 82 5.573 -0.589 -2.323 1.00 0.39 C ATOM 1291 C GLU A 82 4.589 -1.213 -1.358 1.00 0.33 C ATOM 1292 O GLU A 82 4.567 -2.429 -1.168 1.00 0.34 O ATOM 1293 CB GLU A 82 6.491 0.335 -1.559 1.00 0.43 C ATOM 1294 CG GLU A 82 7.688 0.807 -2.375 1.00 0.46 C ATOM 1295 CD GLU A 82 8.473 -0.335 -2.988 1.00 0.71 C ATOM 1296 OE1 GLU A 82 9.280 -0.956 -2.265 1.00 1.39 O ATOM 1297 OE2 GLU A 82 8.283 -0.607 -4.192 1.00 1.47 O ATOM 0 H GLU A 82 4.819 1.157 -3.210 1.00 0.41 H new ATOM 0 HA GLU A 82 6.155 -1.378 -2.800 1.00 0.39 H new ATOM 0 HB2 GLU A 82 5.924 1.203 -1.224 1.00 0.43 H new ATOM 0 HB3 GLU A 82 6.848 -0.177 -0.665 1.00 0.43 H new ATOM 0 HG2 GLU A 82 7.342 1.470 -3.168 1.00 0.46 H new ATOM 0 HG3 GLU A 82 8.348 1.393 -1.736 1.00 0.46 H new ATOM 1304 N LEU A 83 3.754 -0.362 -0.759 1.00 0.34 N ATOM 1305 CA LEU A 83 2.745 -0.816 0.189 1.00 0.35 C ATOM 1306 C LEU A 83 1.944 -1.966 -0.395 1.00 0.35 C ATOM 1307 O LEU A 83 1.221 -2.647 0.318 1.00 0.43 O ATOM 1308 CB LEU A 83 1.815 0.330 0.587 1.00 0.43 C ATOM 1309 CG LEU A 83 2.422 1.369 1.536 1.00 0.50 C ATOM 1310 CD1 LEU A 83 3.463 2.211 0.819 1.00 1.26 C ATOM 1311 CD2 LEU A 83 1.332 2.251 2.121 1.00 1.31 C ATOM 0 H LEU A 83 3.760 0.646 -0.916 1.00 0.34 H new ATOM 0 HA LEU A 83 3.258 -1.167 1.085 1.00 0.35 H new ATOM 0 HB2 LEU A 83 1.485 0.839 -0.319 1.00 0.43 H new ATOM 0 HB3 LEU A 83 0.927 -0.092 1.057 1.00 0.43 H new ATOM 0 HG LEU A 83 2.916 0.841 2.352 1.00 0.50 H new ATOM 0 HD11 LEU A 83 3.880 2.942 1.512 1.00 1.26 H new ATOM 0 HD12 LEU A 83 4.260 1.566 0.448 1.00 1.26 H new ATOM 0 HD13 LEU A 83 2.997 2.730 -0.018 1.00 1.26 H new ATOM 0 HD21 LEU A 83 1.779 2.984 2.793 1.00 1.31 H new ATOM 0 HD22 LEU A 83 0.811 2.768 1.315 1.00 1.31 H new ATOM 0 HD23 LEU A 83 0.624 1.635 2.675 1.00 1.31 H new ATOM 1323 N ALA A 84 2.013 -2.134 -1.707 1.00 0.34 N ATOM 1324 CA ALA A 84 1.340 -3.241 -2.349 1.00 0.37 C ATOM 1325 C ALA A 84 2.154 -4.531 -2.231 1.00 0.41 C ATOM 1326 O ALA A 84 1.596 -5.617 -2.067 1.00 0.48 O ATOM 1327 CB ALA A 84 1.091 -2.921 -3.803 1.00 0.42 C ATOM 0 H ALA A 84 2.526 -1.520 -2.340 1.00 0.34 H new ATOM 0 HA ALA A 84 0.387 -3.395 -1.843 1.00 0.37 H new ATOM 0 HB1 ALA A 84 0.584 -3.760 -4.279 1.00 0.42 H new ATOM 0 HB2 ALA A 84 0.467 -2.030 -3.878 1.00 0.42 H new ATOM 0 HB3 ALA A 84 2.042 -2.741 -4.304 1.00 0.42 H new ATOM 1333 N LYS A 85 3.477 -4.400 -2.320 1.00 0.42 N ATOM 1334 CA LYS A 85 4.397 -5.544 -2.224 1.00 0.51 C ATOM 1335 C LYS A 85 3.998 -6.461 -1.086 1.00 0.50 C ATOM 1336 O LYS A 85 4.303 -7.649 -1.101 1.00 0.67 O ATOM 1337 CB LYS A 85 5.836 -5.040 -2.092 1.00 0.62 C ATOM 1338 CG LYS A 85 6.159 -3.995 -3.158 1.00 1.18 C ATOM 1339 CD LYS A 85 7.634 -3.628 -3.246 1.00 1.42 C ATOM 1340 CE LYS A 85 8.317 -3.547 -1.885 1.00 1.55 C ATOM 1341 NZ LYS A 85 7.603 -2.640 -0.948 1.00 2.69 N ATOM 0 H LYS A 85 3.944 -3.504 -2.460 1.00 0.42 H new ATOM 0 HA LYS A 85 4.336 -6.137 -3.137 1.00 0.51 H new ATOM 0 HB2 LYS A 85 5.983 -4.609 -1.102 1.00 0.62 H new ATOM 0 HB3 LYS A 85 6.527 -5.879 -2.181 1.00 0.62 H new ATOM 0 HG2 LYS A 85 5.831 -4.368 -4.128 1.00 1.18 H new ATOM 0 HG3 LYS A 85 5.583 -3.093 -2.952 1.00 1.18 H new ATOM 0 HD2 LYS A 85 8.149 -4.367 -3.860 1.00 1.42 H new ATOM 0 HD3 LYS A 85 7.733 -2.668 -3.752 1.00 1.42 H new ATOM 0 HE2 LYS A 85 8.373 -4.545 -1.449 1.00 1.55 H new ATOM 0 HE3 LYS A 85 9.341 -3.198 -2.015 1.00 1.55 H new ATOM 0 HZ1 LYS A 85 7.658 -3.024 0.017 1.00 2.69 H new ATOM 0 HZ2 LYS A 85 8.045 -1.699 -0.972 1.00 2.69 H new ATOM 0 HZ3 LYS A 85 6.606 -2.562 -1.233 1.00 2.69 H new ATOM 1355 N GLU A 86 3.324 -5.908 -0.095 1.00 0.45 N ATOM 1356 CA GLU A 86 2.848 -6.695 1.006 1.00 0.45 C ATOM 1357 C GLU A 86 1.513 -7.383 0.668 1.00 0.44 C ATOM 1358 O GLU A 86 1.351 -8.577 0.911 1.00 0.46 O ATOM 1359 CB GLU A 86 2.706 -5.828 2.254 1.00 0.48 C ATOM 1360 CG GLU A 86 2.173 -4.439 1.995 1.00 0.98 C ATOM 1361 CD GLU A 86 1.675 -3.750 3.249 1.00 2.08 C ATOM 1362 OE1 GLU A 86 1.041 -4.425 4.086 1.00 2.91 O ATOM 1363 OE2 GLU A 86 1.916 -2.534 3.394 1.00 2.61 O ATOM 0 H GLU A 86 3.098 -4.915 -0.038 1.00 0.45 H new ATOM 0 HA GLU A 86 3.582 -7.477 1.204 1.00 0.45 H new ATOM 0 HB2 GLU A 86 2.044 -6.332 2.958 1.00 0.48 H new ATOM 0 HB3 GLU A 86 3.680 -5.746 2.736 1.00 0.48 H new ATOM 0 HG2 GLU A 86 2.958 -3.834 1.542 1.00 0.98 H new ATOM 0 HG3 GLU A 86 1.359 -4.498 1.272 1.00 0.98 H new ATOM 1370 N VAL A 87 0.560 -6.626 0.106 1.00 0.44 N ATOM 1371 CA VAL A 87 -0.765 -7.171 -0.225 1.00 0.46 C ATOM 1372 C VAL A 87 -0.804 -7.917 -1.557 1.00 0.47 C ATOM 1373 O VAL A 87 -1.854 -8.423 -1.951 1.00 0.54 O ATOM 1374 CB VAL A 87 -1.860 -6.075 -0.219 1.00 0.54 C ATOM 1375 CG1 VAL A 87 -3.239 -6.709 -0.149 1.00 1.00 C ATOM 1376 CG2 VAL A 87 -1.648 -5.122 0.944 1.00 0.81 C ATOM 0 H VAL A 87 0.680 -5.640 -0.128 1.00 0.44 H new ATOM 0 HA VAL A 87 -0.972 -7.894 0.564 1.00 0.46 H new ATOM 0 HB VAL A 87 -1.790 -5.505 -1.145 1.00 0.54 H new ATOM 0 HG11 VAL A 87 -3.999 -5.928 -0.145 1.00 1.00 H new ATOM 0 HG12 VAL A 87 -3.387 -7.355 -1.014 1.00 1.00 H new ATOM 0 HG13 VAL A 87 -3.322 -7.300 0.763 1.00 1.00 H new ATOM 0 HG21 VAL A 87 -2.425 -4.358 0.935 1.00 0.81 H new ATOM 0 HG22 VAL A 87 -1.695 -5.676 1.882 1.00 0.81 H new ATOM 0 HG23 VAL A 87 -0.671 -4.647 0.852 1.00 0.81 H new ATOM 1386 N ARG A 88 0.322 -7.992 -2.252 1.00 0.50 N ATOM 1387 CA ARG A 88 0.355 -8.689 -3.537 1.00 0.52 C ATOM 1388 C ARG A 88 0.493 -10.202 -3.370 1.00 0.50 C ATOM 1389 O ARG A 88 -0.304 -10.966 -3.910 1.00 0.59 O ATOM 1390 CB ARG A 88 1.479 -8.152 -4.422 1.00 0.56 C ATOM 1391 CG ARG A 88 1.383 -8.623 -5.863 1.00 0.67 C ATOM 1392 CD ARG A 88 2.484 -8.025 -6.724 1.00 1.33 C ATOM 1393 NE ARG A 88 3.800 -8.552 -6.375 1.00 1.83 N ATOM 1394 CZ ARG A 88 4.932 -8.133 -6.931 1.00 2.72 C ATOM 1395 NH1 ARG A 88 4.907 -7.173 -7.845 1.00 3.25 N ATOM 1396 NH2 ARG A 88 6.090 -8.672 -6.574 1.00 3.50 N ATOM 0 H ARG A 88 1.211 -7.588 -1.958 1.00 0.50 H new ATOM 0 HA ARG A 88 -0.601 -8.496 -4.024 1.00 0.52 H new ATOM 0 HB2 ARG A 88 1.460 -7.062 -4.401 1.00 0.56 H new ATOM 0 HB3 ARG A 88 2.438 -8.463 -4.008 1.00 0.56 H new ATOM 0 HG2 ARG A 88 1.446 -9.711 -5.895 1.00 0.67 H new ATOM 0 HG3 ARG A 88 0.411 -8.348 -6.272 1.00 0.67 H new ATOM 0 HD2 ARG A 88 2.277 -8.234 -7.774 1.00 1.33 H new ATOM 0 HD3 ARG A 88 2.486 -6.941 -6.609 1.00 1.33 H new ATOM 0 HE ARG A 88 3.854 -9.282 -5.665 1.00 1.83 H new ATOM 0 HH11 ARG A 88 4.019 -6.755 -8.122 1.00 3.25 H new ATOM 0 HH12 ARG A 88 5.776 -6.852 -8.271 1.00 3.25 H new ATOM 0 HH21 ARG A 88 6.114 -9.410 -5.871 1.00 3.50 H new ATOM 0 HH22 ARG A 88 6.957 -8.348 -7.003 1.00 3.50 H new ATOM 1410 N LYS A 89 1.507 -10.629 -2.631 1.00 0.47 N ATOM 1411 CA LYS A 89 1.744 -12.051 -2.397 1.00 0.49 C ATOM 1412 C LYS A 89 0.838 -12.552 -1.295 1.00 0.49 C ATOM 1413 O LYS A 89 0.356 -13.685 -1.322 1.00 0.55 O ATOM 1414 CB LYS A 89 3.196 -12.303 -2.007 1.00 0.56 C ATOM 1415 CG LYS A 89 3.732 -11.314 -0.987 1.00 0.70 C ATOM 1416 CD LYS A 89 4.812 -10.428 -1.581 1.00 1.55 C ATOM 1417 CE LYS A 89 4.392 -9.751 -2.876 1.00 2.44 C ATOM 1418 NZ LYS A 89 5.542 -9.081 -3.541 1.00 3.29 N ATOM 0 H LYS A 89 2.182 -10.011 -2.181 1.00 0.47 H new ATOM 0 HA LYS A 89 1.530 -12.586 -3.322 1.00 0.49 H new ATOM 0 HB2 LYS A 89 3.285 -13.312 -1.604 1.00 0.56 H new ATOM 0 HB3 LYS A 89 3.816 -12.261 -2.902 1.00 0.56 H new ATOM 0 HG2 LYS A 89 2.915 -10.694 -0.616 1.00 0.70 H new ATOM 0 HG3 LYS A 89 4.135 -11.856 -0.131 1.00 0.70 H new ATOM 0 HD2 LYS A 89 5.087 -9.665 -0.853 1.00 1.55 H new ATOM 0 HD3 LYS A 89 5.703 -11.028 -1.766 1.00 1.55 H new ATOM 0 HE2 LYS A 89 3.961 -10.491 -3.551 1.00 2.44 H new ATOM 0 HE3 LYS A 89 3.613 -9.017 -2.668 1.00 2.44 H new ATOM 0 HZ1 LYS A 89 5.189 -8.426 -4.268 1.00 3.29 H new ATOM 0 HZ2 LYS A 89 6.091 -8.551 -2.834 1.00 3.29 H new ATOM 0 HZ3 LYS A 89 6.151 -9.797 -3.986 1.00 3.29 H new ATOM 1432 N GLU A 90 0.607 -11.677 -0.330 1.00 0.47 N ATOM 1433 CA GLU A 90 -0.235 -11.981 0.808 1.00 0.52 C ATOM 1434 C GLU A 90 -1.668 -12.281 0.381 1.00 0.55 C ATOM 1435 O GLU A 90 -2.467 -12.775 1.176 1.00 0.62 O ATOM 1436 CB GLU A 90 -0.200 -10.809 1.787 1.00 0.55 C ATOM 1437 CG GLU A 90 1.127 -10.691 2.519 1.00 0.62 C ATOM 1438 CD GLU A 90 1.429 -11.907 3.370 1.00 1.26 C ATOM 1439 OE1 GLU A 90 2.029 -12.867 2.841 1.00 1.95 O ATOM 1440 OE2 GLU A 90 1.066 -11.900 4.565 1.00 1.97 O ATOM 0 H GLU A 90 1.000 -10.736 -0.317 1.00 0.47 H new ATOM 0 HA GLU A 90 0.150 -12.877 1.296 1.00 0.52 H new ATOM 0 HB2 GLU A 90 -0.394 -9.883 1.245 1.00 0.55 H new ATOM 0 HB3 GLU A 90 -1.002 -10.926 2.516 1.00 0.55 H new ATOM 0 HG2 GLU A 90 1.928 -10.552 1.793 1.00 0.62 H new ATOM 0 HG3 GLU A 90 1.112 -9.803 3.151 1.00 0.62 H new ATOM 1447 N LYS A 91 -1.993 -11.984 -0.876 1.00 0.54 N ATOM 1448 CA LYS A 91 -3.331 -12.226 -1.381 1.00 0.61 C ATOM 1449 C LYS A 91 -3.646 -13.710 -1.441 1.00 0.63 C ATOM 1450 O LYS A 91 -4.701 -14.149 -0.983 1.00 0.70 O ATOM 1451 CB LYS A 91 -3.504 -11.601 -2.767 1.00 0.62 C ATOM 1452 CG LYS A 91 -2.770 -12.350 -3.866 1.00 0.61 C ATOM 1453 CD LYS A 91 -2.755 -11.559 -5.161 1.00 0.67 C ATOM 1454 CE LYS A 91 -2.156 -12.365 -6.302 1.00 0.70 C ATOM 1455 NZ LYS A 91 -2.935 -13.603 -6.576 1.00 1.38 N ATOM 0 H LYS A 91 -1.349 -11.578 -1.555 1.00 0.54 H new ATOM 0 HA LYS A 91 -4.030 -11.759 -0.687 1.00 0.61 H new ATOM 0 HB2 LYS A 91 -4.566 -11.564 -3.010 1.00 0.62 H new ATOM 0 HB3 LYS A 91 -3.147 -10.571 -2.739 1.00 0.62 H new ATOM 0 HG2 LYS A 91 -1.747 -12.552 -3.550 1.00 0.61 H new ATOM 0 HG3 LYS A 91 -3.249 -13.315 -4.033 1.00 0.61 H new ATOM 0 HD2 LYS A 91 -3.772 -11.263 -5.419 1.00 0.67 H new ATOM 0 HD3 LYS A 91 -2.181 -10.643 -5.022 1.00 0.67 H new ATOM 0 HE2 LYS A 91 -2.122 -11.751 -7.202 1.00 0.70 H new ATOM 0 HE3 LYS A 91 -1.127 -12.630 -6.058 1.00 0.70 H new ATOM 0 HZ1 LYS A 91 -2.709 -13.951 -7.530 1.00 1.38 H new ATOM 0 HZ2 LYS A 91 -2.689 -14.330 -5.874 1.00 1.38 H new ATOM 0 HZ3 LYS A 91 -3.952 -13.394 -6.516 1.00 1.38 H new ATOM 1469 N ALA A 92 -2.734 -14.477 -2.009 1.00 0.61 N ATOM 1470 CA ALA A 92 -2.933 -15.914 -2.118 1.00 0.66 C ATOM 1471 C ALA A 92 -3.179 -16.506 -0.744 1.00 0.64 C ATOM 1472 O ALA A 92 -3.702 -17.610 -0.614 1.00 0.70 O ATOM 1473 CB ALA A 92 -1.753 -16.572 -2.810 1.00 0.75 C ATOM 0 H ALA A 92 -1.856 -14.135 -2.399 1.00 0.61 H new ATOM 0 HA ALA A 92 -3.813 -16.106 -2.733 1.00 0.66 H new ATOM 0 HB1 ALA A 92 -1.925 -17.646 -2.880 1.00 0.75 H new ATOM 0 HB2 ALA A 92 -1.641 -16.157 -3.811 1.00 0.75 H new ATOM 0 HB3 ALA A 92 -0.845 -16.386 -2.236 1.00 0.75 H new ATOM 1479 N LEU A 93 -2.745 -15.790 0.281 1.00 0.62 N ATOM 1480 CA LEU A 93 -3.000 -16.219 1.648 1.00 0.66 C ATOM 1481 C LEU A 93 -4.388 -15.775 2.053 1.00 0.59 C ATOM 1482 O LEU A 93 -5.056 -16.430 2.852 1.00 0.64 O ATOM 1483 CB LEU A 93 -1.972 -15.664 2.621 1.00 0.75 C ATOM 1484 CG LEU A 93 -2.185 -16.135 4.055 1.00 0.82 C ATOM 1485 CD1 LEU A 93 -0.871 -16.595 4.667 1.00 1.03 C ATOM 1486 CD2 LEU A 93 -2.804 -15.025 4.891 1.00 0.95 C ATOM 0 H LEU A 93 -2.221 -14.919 0.196 1.00 0.62 H new ATOM 0 HA LEU A 93 -2.924 -17.306 1.684 1.00 0.66 H new ATOM 0 HB2 LEU A 93 -0.975 -15.959 2.293 1.00 0.75 H new ATOM 0 HB3 LEU A 93 -2.007 -14.575 2.594 1.00 0.75 H new ATOM 0 HG LEU A 93 -2.871 -16.982 4.042 1.00 0.82 H new ATOM 0 HD11 LEU A 93 -1.043 -16.928 5.691 1.00 1.03 H new ATOM 0 HD12 LEU A 93 -0.466 -17.420 4.081 1.00 1.03 H new ATOM 0 HD13 LEU A 93 -0.161 -15.768 4.669 1.00 1.03 H new ATOM 0 HD21 LEU A 93 -2.950 -15.377 5.912 1.00 0.95 H new ATOM 0 HD22 LEU A 93 -2.140 -14.160 4.896 1.00 0.95 H new ATOM 0 HD23 LEU A 93 -3.766 -14.741 4.464 1.00 0.95 H new ATOM 1498 N GLY A 94 -4.820 -14.649 1.490 1.00 0.53 N ATOM 1499 CA GLY A 94 -6.142 -14.133 1.782 1.00 0.52 C ATOM 1500 C GLY A 94 -7.182 -15.219 1.743 1.00 0.52 C ATOM 1501 O GLY A 94 -8.137 -15.203 2.517 1.00 0.57 O ATOM 0 H GLY A 94 -4.276 -14.086 0.836 1.00 0.53 H new ATOM 0 HA2 GLY A 94 -6.141 -13.665 2.766 1.00 0.52 H new ATOM 0 HA3 GLY A 94 -6.398 -13.357 1.060 1.00 0.52 H new ATOM 1505 N ILE A 95 -6.991 -16.179 0.846 1.00 0.54 N ATOM 1506 CA ILE A 95 -7.922 -17.286 0.722 1.00 0.57 C ATOM 1507 C ILE A 95 -7.793 -18.244 1.893 1.00 0.61 C ATOM 1508 O ILE A 95 -7.568 -19.440 1.709 1.00 0.67 O ATOM 1509 CB ILE A 95 -7.716 -18.063 -0.587 1.00 0.63 C ATOM 1510 CG1 ILE A 95 -6.245 -18.398 -0.792 1.00 1.32 C ATOM 1511 CG2 ILE A 95 -8.232 -17.253 -1.746 1.00 1.09 C ATOM 1512 CD1 ILE A 95 -6.013 -19.528 -1.772 1.00 1.68 C ATOM 0 H ILE A 95 -6.203 -16.211 0.199 1.00 0.54 H new ATOM 0 HA ILE A 95 -8.922 -16.851 0.717 1.00 0.57 H new ATOM 0 HB ILE A 95 -8.272 -18.999 -0.527 1.00 0.63 H new ATOM 0 HG12 ILE A 95 -5.724 -17.508 -1.146 1.00 1.32 H new ATOM 0 HG13 ILE A 95 -5.804 -18.665 0.169 1.00 1.32 H new ATOM 0 HG21 ILE A 95 -8.084 -17.808 -2.672 1.00 1.09 H new ATOM 0 HG22 ILE A 95 -9.295 -17.056 -1.607 1.00 1.09 H new ATOM 0 HG23 ILE A 95 -7.691 -16.308 -1.799 1.00 1.09 H new ATOM 0 HD11 ILE A 95 -4.943 -19.712 -1.869 1.00 1.68 H new ATOM 0 HD12 ILE A 95 -6.505 -20.431 -1.410 1.00 1.68 H new ATOM 0 HD13 ILE A 95 -6.424 -19.256 -2.744 1.00 1.68 H new ATOM 1524 N ARG A 96 -7.934 -17.714 3.100 1.00 0.64 N ATOM 1525 CA ARG A 96 -7.858 -18.525 4.290 1.00 0.74 C ATOM 1526 C ARG A 96 -8.940 -19.595 4.224 1.00 0.82 C ATOM 1527 O ARG A 96 -8.854 -20.627 4.891 1.00 0.93 O ATOM 1528 CB ARG A 96 -8.018 -17.639 5.519 1.00 0.84 C ATOM 1529 CG ARG A 96 -6.726 -16.990 5.981 1.00 1.65 C ATOM 1530 CD ARG A 96 -5.821 -17.976 6.698 1.00 2.45 C ATOM 1531 NE ARG A 96 -4.503 -17.406 6.965 1.00 2.91 N ATOM 1532 CZ ARG A 96 -4.237 -16.614 7.999 1.00 3.85 C ATOM 1533 NH1 ARG A 96 -5.192 -16.301 8.864 1.00 4.47 N ATOM 1534 NH2 ARG A 96 -3.013 -16.131 8.168 1.00 4.48 N ATOM 0 H ARG A 96 -8.102 -16.723 3.273 1.00 0.64 H new ATOM 0 HA ARG A 96 -6.888 -19.018 4.359 1.00 0.74 H new ATOM 0 HB2 ARG A 96 -8.747 -16.859 5.300 1.00 0.84 H new ATOM 0 HB3 ARG A 96 -8.425 -18.236 6.335 1.00 0.84 H new ATOM 0 HG2 ARG A 96 -6.201 -16.575 5.121 1.00 1.65 H new ATOM 0 HG3 ARG A 96 -6.956 -16.158 6.647 1.00 1.65 H new ATOM 0 HD2 ARG A 96 -6.284 -18.278 7.638 1.00 2.45 H new ATOM 0 HD3 ARG A 96 -5.712 -18.876 6.093 1.00 2.45 H new ATOM 0 HE ARG A 96 -3.743 -17.628 6.321 1.00 2.91 H new ATOM 0 HH11 ARG A 96 -6.135 -16.668 8.737 1.00 4.47 H new ATOM 0 HH12 ARG A 96 -4.983 -15.693 9.656 1.00 4.47 H new ATOM 0 HH21 ARG A 96 -2.275 -16.367 7.504 1.00 4.48 H new ATOM 0 HH22 ARG A 96 -2.810 -15.523 8.962 1.00 4.48 H new ATOM 1548 N LYS A 97 -9.969 -19.335 3.408 1.00 0.83 N ATOM 1549 CA LYS A 97 -11.040 -20.297 3.213 1.00 0.95 C ATOM 1550 C LYS A 97 -10.657 -21.212 2.058 1.00 0.94 C ATOM 1551 O LYS A 97 -11.073 -21.006 0.918 1.00 0.98 O ATOM 1552 CB LYS A 97 -12.396 -19.617 2.916 1.00 1.06 C ATOM 1553 CG LYS A 97 -12.357 -18.092 2.777 1.00 0.99 C ATOM 1554 CD LYS A 97 -11.993 -17.416 4.087 1.00 1.56 C ATOM 1555 CE LYS A 97 -11.224 -16.129 3.846 1.00 1.85 C ATOM 1556 NZ LYS A 97 -11.174 -15.272 5.062 1.00 2.92 N ATOM 0 H LYS A 97 -10.075 -18.469 2.879 1.00 0.83 H new ATOM 0 HA LYS A 97 -11.166 -20.863 4.136 1.00 0.95 H new ATOM 0 HB2 LYS A 97 -12.798 -20.037 1.994 1.00 1.06 H new ATOM 0 HB3 LYS A 97 -13.093 -19.873 3.714 1.00 1.06 H new ATOM 0 HG2 LYS A 97 -11.632 -17.815 2.011 1.00 0.99 H new ATOM 0 HG3 LYS A 97 -13.329 -17.733 2.440 1.00 0.99 H new ATOM 0 HD2 LYS A 97 -12.900 -17.200 4.652 1.00 1.56 H new ATOM 0 HD3 LYS A 97 -11.392 -18.093 4.694 1.00 1.56 H new ATOM 0 HE2 LYS A 97 -10.209 -16.368 3.529 1.00 1.85 H new ATOM 0 HE3 LYS A 97 -11.691 -15.575 3.031 1.00 1.85 H new ATOM 0 HZ1 LYS A 97 -10.776 -14.343 4.816 1.00 2.92 H new ATOM 0 HZ2 LYS A 97 -12.135 -15.148 5.439 1.00 2.92 H new ATOM 0 HZ3 LYS A 97 -10.575 -15.725 5.782 1.00 2.92 H new ATOM 1570 N LYS A 98 -9.849 -22.220 2.366 1.00 0.97 N ATOM 1571 CA LYS A 98 -9.382 -23.164 1.361 1.00 1.06 C ATOM 1572 C LYS A 98 -10.110 -24.500 1.485 1.00 1.22 C ATOM 1573 O LYS A 98 -9.622 -25.371 2.235 1.00 1.61 O ATOM 1574 CB LYS A 98 -7.869 -23.376 1.499 1.00 1.08 C ATOM 1575 CG LYS A 98 -7.048 -22.091 1.412 1.00 1.07 C ATOM 1576 CD LYS A 98 -5.567 -22.394 1.261 1.00 1.51 C ATOM 1577 CE LYS A 98 -4.746 -21.117 1.181 1.00 2.00 C ATOM 1578 NZ LYS A 98 -4.930 -20.264 2.389 1.00 2.74 N ATOM 1579 OXT LYS A 98 -11.161 -24.662 0.830 1.00 1.70 O ATOM 0 H LYS A 98 -9.503 -22.404 3.308 1.00 0.97 H new ATOM 0 HA LYS A 98 -9.597 -22.747 0.377 1.00 1.06 H new ATOM 0 HB2 LYS A 98 -7.667 -23.860 2.455 1.00 1.08 H new ATOM 0 HB3 LYS A 98 -7.536 -24.060 0.719 1.00 1.08 H new ATOM 0 HG2 LYS A 98 -7.388 -21.496 0.565 1.00 1.07 H new ATOM 0 HG3 LYS A 98 -7.210 -21.492 2.308 1.00 1.07 H new ATOM 0 HD2 LYS A 98 -5.229 -22.994 2.106 1.00 1.51 H new ATOM 0 HD3 LYS A 98 -5.405 -22.989 0.362 1.00 1.51 H new ATOM 0 HE2 LYS A 98 -3.691 -21.369 1.071 1.00 2.00 H new ATOM 0 HE3 LYS A 98 -5.033 -20.555 0.292 1.00 2.00 H new ATOM 0 HZ1 LYS A 98 -4.222 -19.502 2.387 1.00 2.74 H new ATOM 0 HZ2 LYS A 98 -5.884 -19.850 2.380 1.00 2.74 H new ATOM 0 HZ3 LYS A 98 -4.812 -20.844 3.244 1.00 2.74 H new TER 1593 LYS A 98 ATOM 1594 N MET B 1 18.381 -4.267 -2.987 1.00 0.65 N ATOM 1595 CA MET B 1 17.733 -5.587 -3.185 1.00 0.59 C ATOM 1596 C MET B 1 16.345 -5.423 -3.762 1.00 0.59 C ATOM 1597 O MET B 1 15.899 -4.309 -4.035 1.00 0.60 O ATOM 1598 CB MET B 1 17.635 -6.340 -1.860 1.00 0.58 C ATOM 1599 CG MET B 1 18.797 -7.291 -1.573 1.00 0.60 C ATOM 1600 SD MET B 1 20.399 -6.722 -2.191 1.00 0.94 S ATOM 1601 CE MET B 1 21.433 -8.129 -1.795 1.00 1.18 C ATOM 0 H1 MET B 1 19.404 -4.399 -2.854 1.00 0.65 H new ATOM 0 H2 MET B 1 18.215 -3.670 -3.822 1.00 0.65 H new ATOM 0 H3 MET B 1 17.979 -3.806 -2.146 1.00 0.65 H new ATOM 0 HA MET B 1 18.347 -6.156 -3.883 1.00 0.59 H new ATOM 0 HB2 MET B 1 17.570 -5.614 -1.050 1.00 0.58 H new ATOM 0 HB3 MET B 1 16.707 -6.911 -1.851 1.00 0.58 H new ATOM 0 HG2 MET B 1 18.870 -7.442 -0.496 1.00 0.60 H new ATOM 0 HG3 MET B 1 18.574 -8.262 -2.016 1.00 0.60 H new ATOM 0 HE1 MET B 1 22.167 -8.276 -2.587 1.00 1.18 H new ATOM 0 HE2 MET B 1 21.949 -7.948 -0.852 1.00 1.18 H new ATOM 0 HE3 MET B 1 20.814 -9.021 -1.704 1.00 1.18 H new ATOM 1613 N ALA B 2 15.664 -6.542 -3.950 1.00 0.61 N ATOM 1614 CA ALA B 2 14.324 -6.513 -4.500 1.00 0.64 C ATOM 1615 C ALA B 2 13.275 -6.925 -3.483 1.00 0.62 C ATOM 1616 O ALA B 2 13.563 -7.615 -2.508 1.00 0.71 O ATOM 1617 CB ALA B 2 14.227 -7.397 -5.733 1.00 0.72 C ATOM 0 H ALA B 2 16.016 -7.474 -3.731 1.00 0.61 H new ATOM 0 HA ALA B 2 14.123 -5.480 -4.782 1.00 0.64 H new ATOM 0 HB1 ALA B 2 13.212 -7.360 -6.129 1.00 0.72 H new ATOM 0 HB2 ALA B 2 14.925 -7.042 -6.491 1.00 0.72 H new ATOM 0 HB3 ALA B 2 14.474 -8.424 -5.465 1.00 0.72 H new ATOM 1623 N ALA B 3 12.055 -6.478 -3.724 1.00 0.73 N ATOM 1624 CA ALA B 3 10.930 -6.821 -2.876 1.00 0.75 C ATOM 1625 C ALA B 3 10.383 -8.168 -3.313 1.00 0.65 C ATOM 1626 O ALA B 3 9.387 -8.238 -4.032 1.00 0.81 O ATOM 1627 CB ALA B 3 9.858 -5.765 -2.989 1.00 1.04 C ATOM 0 H ALA B 3 11.818 -5.871 -4.509 1.00 0.73 H new ATOM 0 HA ALA B 3 11.253 -6.875 -1.836 1.00 0.75 H new ATOM 0 HB1 ALA B 3 9.017 -6.031 -2.349 1.00 1.04 H new ATOM 0 HB2 ALA B 3 10.262 -4.802 -2.677 1.00 1.04 H new ATOM 0 HB3 ALA B 3 9.520 -5.699 -4.023 1.00 1.04 H new ATOM 1633 N GLU B 4 11.039 -9.238 -2.889 1.00 0.62 N ATOM 1634 CA GLU B 4 10.587 -10.574 -3.267 1.00 0.75 C ATOM 1635 C GLU B 4 9.223 -10.813 -2.643 1.00 0.74 C ATOM 1636 O GLU B 4 8.198 -10.560 -3.277 1.00 0.86 O ATOM 1637 CB GLU B 4 11.574 -11.685 -2.849 1.00 0.97 C ATOM 1638 CG GLU B 4 12.708 -11.246 -1.930 1.00 1.45 C ATOM 1639 CD GLU B 4 12.217 -10.721 -0.595 1.00 2.42 C ATOM 1640 OE1 GLU B 4 11.782 -11.539 0.242 1.00 3.02 O ATOM 1641 OE2 GLU B 4 12.255 -9.489 -0.393 1.00 3.20 O ATOM 0 H GLU B 4 11.868 -9.213 -2.296 1.00 0.62 H new ATOM 0 HA GLU B 4 10.528 -10.618 -4.355 1.00 0.75 H new ATOM 0 HB2 GLU B 4 11.013 -12.477 -2.352 1.00 0.97 H new ATOM 0 HB3 GLU B 4 12.008 -12.119 -3.750 1.00 0.97 H new ATOM 0 HG2 GLU B 4 13.377 -12.089 -1.759 1.00 1.45 H new ATOM 0 HG3 GLU B 4 13.292 -10.471 -2.427 1.00 1.45 H new ATOM 1648 N THR B 5 9.191 -11.298 -1.412 1.00 0.70 N ATOM 1649 CA THR B 5 7.926 -11.499 -0.742 1.00 0.75 C ATOM 1650 C THR B 5 7.365 -10.172 -0.218 1.00 0.62 C ATOM 1651 O THR B 5 7.752 -9.099 -0.679 1.00 0.79 O ATOM 1652 CB THR B 5 8.053 -12.478 0.422 1.00 0.92 C ATOM 1653 OG1 THR B 5 9.186 -13.325 0.221 1.00 1.42 O ATOM 1654 CG2 THR B 5 6.777 -13.296 0.524 1.00 1.08 C ATOM 0 H THR B 5 10.014 -11.555 -0.868 1.00 0.70 H new ATOM 0 HA THR B 5 7.243 -11.918 -1.481 1.00 0.75 H new ATOM 0 HB THR B 5 8.198 -11.932 1.354 1.00 0.92 H new ATOM 0 HG1 THR B 5 10.000 -12.853 0.494 1.00 1.42 H new ATOM 0 HG21 THR B 5 6.860 -13.998 1.354 1.00 1.08 H new ATOM 0 HG22 THR B 5 5.931 -12.631 0.695 1.00 1.08 H new ATOM 0 HG23 THR B 5 6.623 -13.847 -0.404 1.00 1.08 H new ATOM 1662 N LEU B 6 6.450 -10.257 0.748 1.00 0.54 N ATOM 1663 CA LEU B 6 5.841 -9.087 1.347 1.00 0.50 C ATOM 1664 C LEU B 6 6.872 -8.307 2.142 1.00 0.49 C ATOM 1665 O LEU B 6 7.415 -8.802 3.130 1.00 0.56 O ATOM 1666 CB LEU B 6 4.672 -9.518 2.248 1.00 0.60 C ATOM 1667 CG LEU B 6 5.065 -10.144 3.578 1.00 0.75 C ATOM 1668 CD1 LEU B 6 3.832 -10.570 4.359 1.00 1.15 C ATOM 1669 CD2 LEU B 6 5.997 -11.327 3.386 1.00 1.07 C ATOM 0 H LEU B 6 6.116 -11.141 1.131 1.00 0.54 H new ATOM 0 HA LEU B 6 5.457 -8.438 0.560 1.00 0.50 H new ATOM 0 HB2 LEU B 6 4.049 -8.646 2.447 1.00 0.60 H new ATOM 0 HB3 LEU B 6 4.057 -10.231 1.699 1.00 0.60 H new ATOM 0 HG LEU B 6 5.599 -9.384 4.149 1.00 0.75 H new ATOM 0 HD11 LEU B 6 4.137 -11.015 5.306 1.00 1.15 H new ATOM 0 HD12 LEU B 6 3.205 -9.700 4.552 1.00 1.15 H new ATOM 0 HD13 LEU B 6 3.269 -11.301 3.779 1.00 1.15 H new ATOM 0 HD21 LEU B 6 6.256 -11.748 4.358 1.00 1.07 H new ATOM 0 HD22 LEU B 6 5.501 -12.087 2.782 1.00 1.07 H new ATOM 0 HD23 LEU B 6 6.904 -10.997 2.880 1.00 1.07 H new ATOM 1681 N THR B 7 7.144 -7.081 1.706 1.00 0.50 N ATOM 1682 CA THR B 7 8.110 -6.249 2.396 1.00 0.53 C ATOM 1683 C THR B 7 7.559 -5.923 3.769 1.00 0.48 C ATOM 1684 O THR B 7 6.369 -6.109 4.004 1.00 0.55 O ATOM 1685 CB THR B 7 8.416 -4.941 1.622 1.00 0.60 C ATOM 1686 OG1 THR B 7 7.363 -4.666 0.691 1.00 0.83 O ATOM 1687 CG2 THR B 7 9.756 -5.010 0.879 1.00 0.80 C ATOM 0 H THR B 7 6.713 -6.650 0.888 1.00 0.50 H new ATOM 0 HA THR B 7 9.050 -6.796 2.474 1.00 0.53 H new ATOM 0 HB THR B 7 8.484 -4.137 2.355 1.00 0.60 H new ATOM 0 HG1 THR B 7 6.501 -4.692 1.156 1.00 0.83 H new ATOM 0 HG21 THR B 7 9.928 -4.072 0.351 1.00 0.80 H new ATOM 0 HG22 THR B 7 10.561 -5.177 1.595 1.00 0.80 H new ATOM 0 HG23 THR B 7 9.733 -5.831 0.162 1.00 0.80 H new ATOM 1695 N GLU B 8 8.409 -5.439 4.674 1.00 0.46 N ATOM 1696 CA GLU B 8 7.979 -5.128 6.044 1.00 0.45 C ATOM 1697 C GLU B 8 6.593 -4.486 6.070 1.00 0.41 C ATOM 1698 O GLU B 8 5.853 -4.618 7.044 1.00 0.42 O ATOM 1699 CB GLU B 8 8.982 -4.211 6.738 1.00 0.50 C ATOM 1700 CG GLU B 8 10.423 -4.699 6.657 1.00 0.52 C ATOM 1701 CD GLU B 8 10.601 -6.091 7.231 1.00 1.09 C ATOM 1702 OE1 GLU B 8 10.816 -6.204 8.457 1.00 1.94 O ATOM 1703 OE2 GLU B 8 10.527 -7.068 6.456 1.00 1.67 O ATOM 0 H GLU B 8 9.395 -5.253 4.489 1.00 0.46 H new ATOM 0 HA GLU B 8 7.929 -6.074 6.583 1.00 0.45 H new ATOM 0 HB2 GLU B 8 8.920 -3.218 6.293 1.00 0.50 H new ATOM 0 HB3 GLU B 8 8.702 -4.109 7.786 1.00 0.50 H new ATOM 0 HG2 GLU B 8 10.746 -4.695 5.616 1.00 0.52 H new ATOM 0 HG3 GLU B 8 11.069 -4.004 7.193 1.00 0.52 H new ATOM 1710 N LEU B 9 6.256 -3.790 4.988 1.00 0.41 N ATOM 1711 CA LEU B 9 4.944 -3.151 4.857 1.00 0.40 C ATOM 1712 C LEU B 9 3.843 -4.127 5.236 1.00 0.38 C ATOM 1713 O LEU B 9 2.763 -3.733 5.671 1.00 0.40 O ATOM 1714 CB LEU B 9 4.739 -2.674 3.418 1.00 0.46 C ATOM 1715 CG LEU B 9 6.005 -2.126 2.751 1.00 0.58 C ATOM 1716 CD1 LEU B 9 5.670 -1.389 1.472 1.00 0.93 C ATOM 1717 CD2 LEU B 9 6.768 -1.230 3.716 1.00 0.93 C ATOM 0 H LEU B 9 6.872 -3.652 4.187 1.00 0.41 H new ATOM 0 HA LEU B 9 4.903 -2.294 5.530 1.00 0.40 H new ATOM 0 HB2 LEU B 9 4.359 -3.504 2.823 1.00 0.46 H new ATOM 0 HB3 LEU B 9 3.973 -1.899 3.410 1.00 0.46 H new ATOM 0 HG LEU B 9 6.645 -2.968 2.488 1.00 0.58 H new ATOM 0 HD11 LEU B 9 6.587 -1.011 1.019 1.00 0.93 H new ATOM 0 HD12 LEU B 9 5.177 -2.070 0.778 1.00 0.93 H new ATOM 0 HD13 LEU B 9 5.005 -0.555 1.696 1.00 0.93 H new ATOM 0 HD21 LEU B 9 7.665 -0.849 3.227 1.00 0.93 H new ATOM 0 HD22 LEU B 9 6.135 -0.395 4.015 1.00 0.93 H new ATOM 0 HD23 LEU B 9 7.052 -1.804 4.598 1.00 0.93 H new ATOM 1729 N GLU B 10 4.142 -5.410 5.078 1.00 0.38 N ATOM 1730 CA GLU B 10 3.221 -6.473 5.440 1.00 0.39 C ATOM 1731 C GLU B 10 2.666 -6.217 6.833 1.00 0.38 C ATOM 1732 O GLU B 10 1.465 -6.311 7.063 1.00 0.40 O ATOM 1733 CB GLU B 10 3.957 -7.808 5.394 1.00 0.45 C ATOM 1734 CG GLU B 10 5.393 -7.721 5.898 1.00 0.45 C ATOM 1735 CD GLU B 10 5.679 -8.683 7.035 1.00 0.55 C ATOM 1736 OE1 GLU B 10 5.466 -8.298 8.204 1.00 1.16 O ATOM 1737 OE2 GLU B 10 6.118 -9.818 6.758 1.00 1.26 O ATOM 0 H GLU B 10 5.028 -5.740 4.696 1.00 0.38 H new ATOM 0 HA GLU B 10 2.389 -6.501 4.736 1.00 0.39 H new ATOM 0 HB2 GLU B 10 3.412 -8.537 5.994 1.00 0.45 H new ATOM 0 HB3 GLU B 10 3.961 -8.178 4.369 1.00 0.45 H new ATOM 0 HG2 GLU B 10 6.075 -7.928 5.073 1.00 0.45 H new ATOM 0 HG3 GLU B 10 5.595 -6.703 6.231 1.00 0.45 H new ATOM 1744 N ALA B 11 3.556 -5.881 7.757 1.00 0.39 N ATOM 1745 CA ALA B 11 3.151 -5.568 9.118 1.00 0.39 C ATOM 1746 C ALA B 11 2.148 -4.430 9.090 1.00 0.36 C ATOM 1747 O ALA B 11 1.218 -4.380 9.895 1.00 0.39 O ATOM 1748 CB ALA B 11 4.361 -5.202 9.964 1.00 0.42 C ATOM 0 H ALA B 11 4.560 -5.819 7.588 1.00 0.39 H new ATOM 0 HA ALA B 11 2.684 -6.444 9.568 1.00 0.39 H new ATOM 0 HB1 ALA B 11 4.039 -4.971 10.979 1.00 0.42 H new ATOM 0 HB2 ALA B 11 5.057 -6.041 9.986 1.00 0.42 H new ATOM 0 HB3 ALA B 11 4.856 -4.332 9.534 1.00 0.42 H new ATOM 1754 N ALA B 12 2.348 -3.516 8.148 1.00 0.33 N ATOM 1755 CA ALA B 12 1.447 -2.389 7.979 1.00 0.32 C ATOM 1756 C ALA B 12 0.104 -2.880 7.459 1.00 0.33 C ATOM 1757 O ALA B 12 -0.923 -2.230 7.650 1.00 0.34 O ATOM 1758 CB ALA B 12 2.043 -1.354 7.037 1.00 0.34 C ATOM 0 H ALA B 12 3.128 -3.536 7.490 1.00 0.33 H new ATOM 0 HA ALA B 12 1.299 -1.910 8.947 1.00 0.32 H new ATOM 0 HB1 ALA B 12 1.350 -0.520 6.927 1.00 0.34 H new ATOM 0 HB2 ALA B 12 2.986 -0.990 7.446 1.00 0.34 H new ATOM 0 HB3 ALA B 12 2.221 -1.809 6.063 1.00 0.34 H new ATOM 1764 N ILE B 13 0.121 -4.039 6.796 1.00 0.36 N ATOM 1765 CA ILE B 13 -1.098 -4.625 6.264 1.00 0.40 C ATOM 1766 C ILE B 13 -2.150 -4.719 7.370 1.00 0.39 C ATOM 1767 O ILE B 13 -3.350 -4.627 7.118 1.00 0.42 O ATOM 1768 CB ILE B 13 -0.835 -6.023 5.625 1.00 0.47 C ATOM 1769 CG1 ILE B 13 -1.757 -6.225 4.423 1.00 0.90 C ATOM 1770 CG2 ILE B 13 -1.007 -7.173 6.620 1.00 0.99 C ATOM 1771 CD1 ILE B 13 -3.223 -6.288 4.784 1.00 2.05 C ATOM 0 H ILE B 13 0.965 -4.584 6.619 1.00 0.36 H new ATOM 0 HA ILE B 13 -1.471 -3.977 5.471 1.00 0.40 H new ATOM 0 HB ILE B 13 0.206 -6.038 5.303 1.00 0.47 H new ATOM 0 HG12 ILE B 13 -1.601 -5.410 3.716 1.00 0.90 H new ATOM 0 HG13 ILE B 13 -1.478 -7.147 3.913 1.00 0.90 H new ATOM 0 HG21 ILE B 13 -0.811 -8.121 6.118 1.00 0.99 H new ATOM 0 HG22 ILE B 13 -0.306 -7.048 7.445 1.00 0.99 H new ATOM 0 HG23 ILE B 13 -2.026 -7.171 7.006 1.00 0.99 H new ATOM 0 HD11 ILE B 13 -3.814 -6.433 3.880 1.00 2.05 H new ATOM 0 HD12 ILE B 13 -3.394 -7.120 5.467 1.00 2.05 H new ATOM 0 HD13 ILE B 13 -3.519 -5.356 5.266 1.00 2.05 H new ATOM 1783 N GLU B 14 -1.663 -4.895 8.599 1.00 0.39 N ATOM 1784 CA GLU B 14 -2.521 -5.013 9.769 1.00 0.42 C ATOM 1785 C GLU B 14 -3.322 -3.738 10.008 1.00 0.38 C ATOM 1786 O GLU B 14 -4.485 -3.800 10.406 1.00 0.46 O ATOM 1787 CB GLU B 14 -1.683 -5.341 11.005 1.00 0.46 C ATOM 1788 CG GLU B 14 -0.913 -6.647 10.888 1.00 0.79 C ATOM 1789 CD GLU B 14 -0.083 -6.946 12.121 1.00 1.46 C ATOM 1790 OE1 GLU B 14 1.078 -6.489 12.181 1.00 2.25 O ATOM 1791 OE2 GLU B 14 -0.595 -7.637 13.027 1.00 2.02 O ATOM 0 H GLU B 14 -0.666 -4.959 8.807 1.00 0.39 H new ATOM 0 HA GLU B 14 -3.226 -5.823 9.583 1.00 0.42 H new ATOM 0 HB2 GLU B 14 -0.979 -4.528 11.183 1.00 0.46 H new ATOM 0 HB3 GLU B 14 -2.338 -5.391 11.875 1.00 0.46 H new ATOM 0 HG2 GLU B 14 -1.614 -7.464 10.719 1.00 0.79 H new ATOM 0 HG3 GLU B 14 -0.260 -6.603 10.017 1.00 0.79 H new ATOM 1798 N THR B 15 -2.709 -2.580 9.777 1.00 0.30 N ATOM 1799 CA THR B 15 -3.403 -1.331 9.976 1.00 0.28 C ATOM 1800 C THR B 15 -4.431 -1.118 8.876 1.00 0.28 C ATOM 1801 O THR B 15 -5.626 -0.982 9.133 1.00 0.34 O ATOM 1802 CB THR B 15 -2.434 -0.138 9.994 1.00 0.28 C ATOM 1803 OG1 THR B 15 -1.439 -0.318 11.010 1.00 0.29 O ATOM 1804 CG2 THR B 15 -3.189 1.160 10.242 1.00 0.32 C ATOM 0 H THR B 15 -1.745 -2.490 9.456 1.00 0.30 H new ATOM 0 HA THR B 15 -3.899 -1.389 10.945 1.00 0.28 H new ATOM 0 HB THR B 15 -1.945 -0.083 9.021 1.00 0.28 H new ATOM 0 HG1 THR B 15 -1.151 0.557 11.344 1.00 0.29 H new ATOM 0 HG21 THR B 15 -2.487 1.993 10.251 1.00 0.32 H new ATOM 0 HG22 THR B 15 -3.922 1.312 9.449 1.00 0.32 H new ATOM 0 HG23 THR B 15 -3.700 1.106 11.203 1.00 0.32 H new ATOM 1812 N VAL B 16 -3.941 -1.106 7.648 1.00 0.27 N ATOM 1813 CA VAL B 16 -4.774 -0.914 6.468 1.00 0.28 C ATOM 1814 C VAL B 16 -5.872 -1.972 6.369 1.00 0.30 C ATOM 1815 O VAL B 16 -6.963 -1.693 5.870 1.00 0.36 O ATOM 1816 CB VAL B 16 -3.898 -0.946 5.201 1.00 0.30 C ATOM 1817 CG1 VAL B 16 -3.070 -2.217 5.159 1.00 0.33 C ATOM 1818 CG2 VAL B 16 -4.740 -0.823 3.944 1.00 0.33 C ATOM 0 H VAL B 16 -2.950 -1.229 7.438 1.00 0.27 H new ATOM 0 HA VAL B 16 -5.259 0.058 6.557 1.00 0.28 H new ATOM 0 HB VAL B 16 -3.225 -0.089 5.240 1.00 0.30 H new ATOM 0 HG11 VAL B 16 -2.457 -2.223 4.257 1.00 0.33 H new ATOM 0 HG12 VAL B 16 -2.425 -2.260 6.036 1.00 0.33 H new ATOM 0 HG13 VAL B 16 -3.732 -3.083 5.153 1.00 0.33 H new ATOM 0 HG21 VAL B 16 -4.092 -0.849 3.068 1.00 0.33 H new ATOM 0 HG22 VAL B 16 -5.447 -1.651 3.897 1.00 0.33 H new ATOM 0 HG23 VAL B 16 -5.287 0.120 3.963 1.00 0.33 H new ATOM 1828 N VAL B 17 -5.591 -3.177 6.846 1.00 0.31 N ATOM 1829 CA VAL B 17 -6.574 -4.251 6.800 1.00 0.33 C ATOM 1830 C VAL B 17 -7.587 -4.089 7.928 1.00 0.30 C ATOM 1831 O VAL B 17 -8.791 -4.256 7.733 1.00 0.33 O ATOM 1832 CB VAL B 17 -5.913 -5.642 6.898 1.00 0.43 C ATOM 1833 CG1 VAL B 17 -5.372 -5.907 8.297 1.00 0.45 C ATOM 1834 CG2 VAL B 17 -6.895 -6.728 6.487 1.00 0.50 C ATOM 0 H VAL B 17 -4.698 -3.434 7.266 1.00 0.31 H new ATOM 0 HA VAL B 17 -7.080 -4.184 5.837 1.00 0.33 H new ATOM 0 HB VAL B 17 -5.067 -5.658 6.210 1.00 0.43 H new ATOM 0 HG11 VAL B 17 -4.914 -6.895 8.329 1.00 0.45 H new ATOM 0 HG12 VAL B 17 -4.626 -5.153 8.547 1.00 0.45 H new ATOM 0 HG13 VAL B 17 -6.189 -5.863 9.017 1.00 0.45 H new ATOM 0 HG21 VAL B 17 -6.412 -7.702 6.562 1.00 0.50 H new ATOM 0 HG22 VAL B 17 -7.763 -6.702 7.145 1.00 0.50 H new ATOM 0 HG23 VAL B 17 -7.214 -6.560 5.459 1.00 0.50 H new ATOM 1844 N SER B 18 -7.076 -3.767 9.112 1.00 0.33 N ATOM 1845 CA SER B 18 -7.913 -3.582 10.291 1.00 0.40 C ATOM 1846 C SER B 18 -8.542 -2.188 10.340 1.00 0.44 C ATOM 1847 O SER B 18 -9.331 -1.896 11.236 1.00 0.59 O ATOM 1848 CB SER B 18 -7.094 -3.827 11.560 1.00 0.51 C ATOM 1849 OG SER B 18 -7.891 -3.664 12.721 1.00 1.32 O ATOM 0 H SER B 18 -6.080 -3.628 9.280 1.00 0.33 H new ATOM 0 HA SER B 18 -8.725 -4.307 10.230 1.00 0.40 H new ATOM 0 HB2 SER B 18 -6.678 -4.834 11.539 1.00 0.51 H new ATOM 0 HB3 SER B 18 -6.252 -3.135 11.593 1.00 0.51 H new ATOM 0 HG SER B 18 -8.691 -3.144 12.498 1.00 1.32 H new ATOM 1855 N THR B 19 -8.120 -1.295 9.451 1.00 0.37 N ATOM 1856 CA THR B 19 -8.691 0.050 9.411 1.00 0.45 C ATOM 1857 C THR B 19 -9.942 0.148 8.526 1.00 0.46 C ATOM 1858 O THR B 19 -11.053 -0.147 8.968 1.00 0.53 O ATOM 1859 CB THR B 19 -7.649 1.115 8.994 1.00 0.45 C ATOM 1860 OG1 THR B 19 -6.870 0.665 7.870 1.00 0.42 O ATOM 1861 CG2 THR B 19 -6.725 1.447 10.156 1.00 0.49 C ATOM 0 H THR B 19 -7.394 -1.473 8.756 1.00 0.37 H new ATOM 0 HA THR B 19 -9.003 0.260 10.434 1.00 0.45 H new ATOM 0 HB THR B 19 -8.194 2.013 8.704 1.00 0.45 H new ATOM 0 HG1 THR B 19 -6.376 -0.144 8.117 1.00 0.42 H new ATOM 0 HG21 THR B 19 -6.000 2.198 9.841 1.00 0.49 H new ATOM 0 HG22 THR B 19 -7.312 1.836 10.988 1.00 0.49 H new ATOM 0 HG23 THR B 19 -6.200 0.546 10.472 1.00 0.49 H new ATOM 1869 N PHE B 20 -9.745 0.570 7.274 1.00 0.45 N ATOM 1870 CA PHE B 20 -10.828 0.743 6.315 1.00 0.53 C ATOM 1871 C PHE B 20 -11.300 -0.585 5.784 1.00 0.53 C ATOM 1872 O PHE B 20 -12.475 -0.764 5.463 1.00 0.68 O ATOM 1873 CB PHE B 20 -10.313 1.632 5.173 1.00 0.60 C ATOM 1874 CG PHE B 20 -10.948 1.422 3.820 1.00 0.72 C ATOM 1875 CD1 PHE B 20 -12.322 1.426 3.669 1.00 1.26 C ATOM 1876 CD2 PHE B 20 -10.156 1.226 2.700 1.00 1.59 C ATOM 1877 CE1 PHE B 20 -12.892 1.238 2.425 1.00 1.37 C ATOM 1878 CE2 PHE B 20 -10.724 1.037 1.455 1.00 1.77 C ATOM 1879 CZ PHE B 20 -12.094 1.043 1.318 1.00 1.18 C ATOM 0 H PHE B 20 -8.824 0.801 6.900 1.00 0.45 H new ATOM 0 HA PHE B 20 -11.681 1.213 6.803 1.00 0.53 H new ATOM 0 HB2 PHE B 20 -10.457 2.674 5.460 1.00 0.60 H new ATOM 0 HB3 PHE B 20 -9.239 1.474 5.075 1.00 0.60 H new ATOM 0 HD1 PHE B 20 -12.955 1.577 4.531 1.00 1.26 H new ATOM 0 HD2 PHE B 20 -9.081 1.221 2.802 1.00 1.59 H new ATOM 0 HE1 PHE B 20 -13.967 1.244 2.319 1.00 1.37 H new ATOM 0 HE2 PHE B 20 -10.095 0.885 0.591 1.00 1.77 H new ATOM 0 HZ PHE B 20 -12.542 0.895 0.346 1.00 1.18 H new ATOM 1889 N PHE B 21 -10.381 -1.508 5.695 1.00 0.44 N ATOM 1890 CA PHE B 21 -10.690 -2.796 5.171 1.00 0.47 C ATOM 1891 C PHE B 21 -11.581 -3.611 6.107 1.00 0.49 C ATOM 1892 O PHE B 21 -12.004 -4.713 5.784 1.00 0.63 O ATOM 1893 CB PHE B 21 -9.383 -3.517 4.811 1.00 0.47 C ATOM 1894 CG PHE B 21 -8.591 -2.853 3.717 1.00 0.45 C ATOM 1895 CD1 PHE B 21 -9.128 -1.823 2.961 1.00 1.15 C ATOM 1896 CD2 PHE B 21 -7.285 -3.238 3.470 1.00 1.39 C ATOM 1897 CE1 PHE B 21 -8.381 -1.206 1.982 1.00 1.13 C ATOM 1898 CE2 PHE B 21 -6.538 -2.620 2.504 1.00 1.44 C ATOM 1899 CZ PHE B 21 -7.081 -1.602 1.752 1.00 0.53 C ATOM 0 H PHE B 21 -9.410 -1.384 5.982 1.00 0.44 H new ATOM 0 HA PHE B 21 -11.280 -2.676 4.263 1.00 0.47 H new ATOM 0 HB2 PHE B 21 -8.761 -3.585 5.704 1.00 0.47 H new ATOM 0 HB3 PHE B 21 -9.616 -4.537 4.507 1.00 0.47 H new ATOM 0 HD1 PHE B 21 -10.143 -1.501 3.141 1.00 1.15 H new ATOM 0 HD2 PHE B 21 -6.848 -4.039 4.049 1.00 1.39 H new ATOM 0 HE1 PHE B 21 -8.815 -0.411 1.394 1.00 1.13 H new ATOM 0 HE2 PHE B 21 -5.519 -2.932 2.331 1.00 1.44 H new ATOM 0 HZ PHE B 21 -6.492 -1.117 0.987 1.00 0.53 H new ATOM 1909 N THR B 22 -11.874 -3.079 7.271 1.00 0.48 N ATOM 1910 CA THR B 22 -12.771 -3.765 8.181 1.00 0.54 C ATOM 1911 C THR B 22 -14.198 -3.783 7.630 1.00 0.48 C ATOM 1912 O THR B 22 -15.067 -4.479 8.154 1.00 0.53 O ATOM 1913 CB THR B 22 -12.779 -3.081 9.551 1.00 0.65 C ATOM 1914 OG1 THR B 22 -13.311 -1.752 9.449 1.00 0.66 O ATOM 1915 CG2 THR B 22 -11.375 -3.023 10.094 1.00 0.81 C ATOM 0 H THR B 22 -11.513 -2.187 7.610 1.00 0.48 H new ATOM 0 HA THR B 22 -12.411 -4.788 8.286 1.00 0.54 H new ATOM 0 HB THR B 22 -13.411 -3.658 10.226 1.00 0.65 H new ATOM 0 HG1 THR B 22 -12.584 -1.122 9.265 1.00 0.66 H new ATOM 0 HG21 THR B 22 -11.382 -2.536 11.069 1.00 0.81 H new ATOM 0 HG22 THR B 22 -10.982 -4.035 10.196 1.00 0.81 H new ATOM 0 HG23 THR B 22 -10.743 -2.456 9.410 1.00 0.81 H new ATOM 1923 N PHE B 23 -14.431 -3.013 6.564 1.00 0.49 N ATOM 1924 CA PHE B 23 -15.752 -2.913 5.962 1.00 0.51 C ATOM 1925 C PHE B 23 -16.120 -4.146 5.117 1.00 0.44 C ATOM 1926 O PHE B 23 -17.280 -4.321 4.748 1.00 0.46 O ATOM 1927 CB PHE B 23 -15.852 -1.563 5.222 1.00 0.68 C ATOM 1928 CG PHE B 23 -15.869 -1.581 3.727 1.00 0.61 C ATOM 1929 CD1 PHE B 23 -16.894 -2.170 3.005 1.00 1.48 C ATOM 1930 CD2 PHE B 23 -14.846 -0.959 3.038 1.00 1.46 C ATOM 1931 CE1 PHE B 23 -16.882 -2.144 1.638 1.00 1.88 C ATOM 1932 CE2 PHE B 23 -14.833 -0.930 1.669 1.00 1.93 C ATOM 1933 CZ PHE B 23 -15.844 -1.522 0.968 1.00 1.83 C ATOM 0 H PHE B 23 -13.716 -2.450 6.103 1.00 0.49 H new ATOM 0 HA PHE B 23 -16.516 -2.920 6.740 1.00 0.51 H new ATOM 0 HB2 PHE B 23 -16.760 -1.063 5.560 1.00 0.68 H new ATOM 0 HB3 PHE B 23 -15.011 -0.946 5.539 1.00 0.68 H new ATOM 0 HD1 PHE B 23 -17.708 -2.653 3.525 1.00 1.48 H new ATOM 0 HD2 PHE B 23 -14.044 -0.488 3.587 1.00 1.46 H new ATOM 0 HE1 PHE B 23 -17.683 -2.609 1.082 1.00 1.88 H new ATOM 0 HE2 PHE B 23 -14.025 -0.440 1.145 1.00 1.93 H new ATOM 0 HZ PHE B 23 -15.833 -1.505 -0.112 1.00 1.83 H new ATOM 1943 N ALA B 24 -15.146 -5.020 4.837 1.00 0.51 N ATOM 1944 CA ALA B 24 -15.420 -6.264 4.104 1.00 0.59 C ATOM 1945 C ALA B 24 -16.587 -6.997 4.741 1.00 0.61 C ATOM 1946 O ALA B 24 -17.553 -7.368 4.074 1.00 0.67 O ATOM 1947 CB ALA B 24 -14.201 -7.171 4.134 1.00 0.71 C ATOM 0 H ALA B 24 -14.170 -4.892 5.103 1.00 0.51 H new ATOM 0 HA ALA B 24 -15.662 -6.008 3.073 1.00 0.59 H new ATOM 0 HB1 ALA B 24 -14.417 -8.089 3.588 1.00 0.71 H new ATOM 0 HB2 ALA B 24 -13.357 -6.662 3.669 1.00 0.71 H new ATOM 0 HB3 ALA B 24 -13.953 -7.414 5.167 1.00 0.71 H new ATOM 1953 N GLY B 25 -16.469 -7.205 6.049 1.00 0.71 N ATOM 1954 CA GLY B 25 -17.508 -7.874 6.818 1.00 0.85 C ATOM 1955 C GLY B 25 -18.907 -7.493 6.372 1.00 0.74 C ATOM 1956 O GLY B 25 -19.846 -8.276 6.516 1.00 0.82 O ATOM 0 H GLY B 25 -15.659 -6.918 6.599 1.00 0.71 H new ATOM 0 HA2 GLY B 25 -17.384 -8.953 6.726 1.00 0.85 H new ATOM 0 HA3 GLY B 25 -17.388 -7.628 7.873 1.00 0.85 H new ATOM 1960 N ARG B 26 -19.048 -6.279 5.833 1.00 0.61 N ATOM 1961 CA ARG B 26 -20.331 -5.799 5.323 1.00 0.59 C ATOM 1962 C ARG B 26 -21.059 -6.904 4.567 1.00 0.58 C ATOM 1963 O ARG B 26 -22.271 -7.070 4.688 1.00 0.72 O ATOM 1964 CB ARG B 26 -20.095 -4.616 4.392 1.00 0.61 C ATOM 1965 CG ARG B 26 -21.359 -4.107 3.726 1.00 1.18 C ATOM 1966 CD ARG B 26 -22.297 -3.478 4.738 1.00 0.96 C ATOM 1967 NE ARG B 26 -23.554 -3.047 4.133 1.00 1.55 N ATOM 1968 CZ ARG B 26 -24.461 -2.311 4.767 1.00 1.95 C ATOM 1969 NH1 ARG B 26 -24.242 -1.915 6.014 1.00 2.01 N ATOM 1970 NH2 ARG B 26 -25.586 -1.969 4.155 1.00 2.82 N ATOM 0 H ARG B 26 -18.284 -5.609 5.739 1.00 0.61 H new ATOM 0 HA ARG B 26 -20.949 -5.491 6.167 1.00 0.59 H new ATOM 0 HB2 ARG B 26 -19.640 -3.803 4.959 1.00 0.61 H new ATOM 0 HB3 ARG B 26 -19.380 -4.907 3.622 1.00 0.61 H new ATOM 0 HG2 ARG B 26 -21.101 -3.374 2.961 1.00 1.18 H new ATOM 0 HG3 ARG B 26 -21.864 -4.930 3.221 1.00 1.18 H new ATOM 0 HD2 ARG B 26 -22.505 -4.195 5.532 1.00 0.96 H new ATOM 0 HD3 ARG B 26 -21.807 -2.622 5.202 1.00 0.96 H new ATOM 0 HE ARG B 26 -23.747 -3.326 3.171 1.00 1.55 H new ATOM 0 HH11 ARG B 26 -23.377 -2.175 6.487 1.00 2.01 H new ATOM 0 HH12 ARG B 26 -24.939 -1.350 6.500 1.00 2.01 H new ATOM 0 HH21 ARG B 26 -25.757 -2.271 3.196 1.00 2.82 H new ATOM 0 HH22 ARG B 26 -26.281 -1.404 4.643 1.00 2.82 H new ATOM 1984 N GLU B 27 -20.292 -7.655 3.787 1.00 0.50 N ATOM 1985 CA GLU B 27 -20.839 -8.770 3.021 1.00 0.57 C ATOM 1986 C GLU B 27 -20.884 -10.039 3.871 1.00 0.80 C ATOM 1987 O GLU B 27 -20.036 -10.252 4.738 1.00 1.26 O ATOM 1988 CB GLU B 27 -19.995 -9.019 1.770 1.00 0.97 C ATOM 1989 CG GLU B 27 -19.900 -7.812 0.852 1.00 0.85 C ATOM 1990 CD GLU B 27 -21.261 -7.302 0.420 1.00 1.10 C ATOM 1991 OE1 GLU B 27 -21.787 -7.805 -0.595 1.00 1.79 O ATOM 1992 OE2 GLU B 27 -21.799 -6.401 1.096 1.00 1.63 O ATOM 0 H GLU B 27 -19.289 -7.513 3.667 1.00 0.50 H new ATOM 0 HA GLU B 27 -21.855 -8.511 2.723 1.00 0.57 H new ATOM 0 HB2 GLU B 27 -18.991 -9.315 2.072 1.00 0.97 H new ATOM 0 HB3 GLU B 27 -20.421 -9.855 1.215 1.00 0.97 H new ATOM 0 HG2 GLU B 27 -19.361 -7.013 1.362 1.00 0.85 H new ATOM 0 HG3 GLU B 27 -19.318 -8.076 -0.031 1.00 0.85 H new ATOM 1999 N GLY B 28 -21.884 -10.877 3.611 1.00 1.32 N ATOM 2000 CA GLY B 28 -22.051 -12.109 4.364 1.00 1.87 C ATOM 2001 C GLY B 28 -20.809 -12.970 4.413 1.00 1.35 C ATOM 2002 O GLY B 28 -19.888 -12.703 5.186 1.00 1.58 O ATOM 0 H GLY B 28 -22.586 -10.723 2.887 1.00 1.32 H new ATOM 0 HA2 GLY B 28 -22.351 -11.863 5.383 1.00 1.87 H new ATOM 0 HA3 GLY B 28 -22.864 -12.686 3.923 1.00 1.87 H new ATOM 2006 N ARG B 29 -20.786 -14.015 3.587 1.00 1.15 N ATOM 2007 CA ARG B 29 -19.659 -14.945 3.546 1.00 1.06 C ATOM 2008 C ARG B 29 -18.324 -14.217 3.622 1.00 1.14 C ATOM 2009 O ARG B 29 -18.251 -13.004 3.428 1.00 1.74 O ATOM 2010 CB ARG B 29 -19.711 -15.791 2.269 1.00 1.38 C ATOM 2011 CG ARG B 29 -18.653 -16.890 2.206 1.00 1.76 C ATOM 2012 CD ARG B 29 -18.820 -17.742 0.957 1.00 2.36 C ATOM 2013 NE ARG B 29 -20.160 -18.316 0.863 1.00 2.88 N ATOM 2014 CZ ARG B 29 -20.602 -18.990 -0.195 1.00 3.58 C ATOM 2015 NH1 ARG B 29 -19.809 -19.178 -1.241 1.00 3.91 N ATOM 2016 NH2 ARG B 29 -21.835 -19.477 -0.207 1.00 4.30 N ATOM 0 H ARG B 29 -21.538 -14.239 2.935 1.00 1.15 H new ATOM 0 HA ARG B 29 -19.742 -15.594 4.418 1.00 1.06 H new ATOM 0 HB2 ARG B 29 -20.698 -16.246 2.188 1.00 1.38 H new ATOM 0 HB3 ARG B 29 -19.590 -15.135 1.407 1.00 1.38 H new ATOM 0 HG2 ARG B 29 -17.659 -16.443 2.214 1.00 1.76 H new ATOM 0 HG3 ARG B 29 -18.726 -17.520 3.092 1.00 1.76 H new ATOM 0 HD2 ARG B 29 -18.623 -17.134 0.074 1.00 2.36 H new ATOM 0 HD3 ARG B 29 -18.081 -18.544 0.963 1.00 2.36 H new ATOM 0 HE ARG B 29 -20.793 -18.193 1.654 1.00 2.88 H new ATOM 0 HH11 ARG B 29 -18.859 -18.806 -1.235 1.00 3.91 H new ATOM 0 HH12 ARG B 29 -20.149 -19.695 -2.052 1.00 3.91 H new ATOM 0 HH21 ARG B 29 -22.447 -19.335 0.596 1.00 4.30 H new ATOM 0 HH22 ARG B 29 -22.171 -19.993 -1.020 1.00 4.30 H new ATOM 2030 N LYS B 30 -17.270 -14.971 3.900 1.00 1.05 N ATOM 2031 CA LYS B 30 -15.934 -14.405 3.995 1.00 1.49 C ATOM 2032 C LYS B 30 -15.189 -14.625 2.686 1.00 1.34 C ATOM 2033 O LYS B 30 -14.217 -15.378 2.631 1.00 1.66 O ATOM 2034 CB LYS B 30 -15.150 -15.062 5.130 1.00 2.04 C ATOM 2035 CG LYS B 30 -15.979 -15.348 6.374 1.00 2.66 C ATOM 2036 CD LYS B 30 -16.329 -14.072 7.127 1.00 3.51 C ATOM 2037 CE LYS B 30 -17.567 -13.400 6.553 1.00 4.01 C ATOM 2038 NZ LYS B 30 -17.970 -12.207 7.347 1.00 4.78 N ATOM 0 H LYS B 30 -17.315 -15.977 4.064 1.00 1.05 H new ATOM 0 HA LYS B 30 -16.027 -13.338 4.197 1.00 1.49 H new ATOM 0 HB2 LYS B 30 -14.723 -15.997 4.768 1.00 2.04 H new ATOM 0 HB3 LYS B 30 -14.316 -14.415 5.403 1.00 2.04 H new ATOM 0 HG2 LYS B 30 -16.895 -15.865 6.089 1.00 2.66 H new ATOM 0 HG3 LYS B 30 -15.427 -16.019 7.032 1.00 2.66 H new ATOM 0 HD2 LYS B 30 -16.496 -14.305 8.179 1.00 3.51 H new ATOM 0 HD3 LYS B 30 -15.487 -13.381 7.083 1.00 3.51 H new ATOM 0 HE2 LYS B 30 -17.373 -13.102 5.523 1.00 4.01 H new ATOM 0 HE3 LYS B 30 -18.390 -14.115 6.529 1.00 4.01 H new ATOM 0 HZ1 LYS B 30 -18.827 -11.788 6.933 1.00 4.78 H new ATOM 0 HZ2 LYS B 30 -18.163 -12.492 8.328 1.00 4.78 H new ATOM 0 HZ3 LYS B 30 -17.202 -11.506 7.335 1.00 4.78 H new ATOM 2052 N GLY B 31 -15.659 -13.968 1.633 1.00 0.96 N ATOM 2053 CA GLY B 31 -15.017 -14.065 0.330 1.00 0.88 C ATOM 2054 C GLY B 31 -14.465 -12.741 -0.090 1.00 0.81 C ATOM 2055 O GLY B 31 -13.259 -12.595 -0.211 1.00 0.85 O ATOM 0 H GLY B 31 -16.481 -13.364 1.656 1.00 0.96 H new ATOM 0 HA2 GLY B 31 -14.215 -14.802 0.369 1.00 0.88 H new ATOM 0 HA3 GLY B 31 -15.737 -14.415 -0.410 1.00 0.88 H new ATOM 2059 N SER B 32 -15.326 -11.764 -0.313 1.00 0.74 N ATOM 2060 CA SER B 32 -14.844 -10.471 -0.699 1.00 0.71 C ATOM 2061 C SER B 32 -15.625 -9.346 -0.067 1.00 0.70 C ATOM 2062 O SER B 32 -16.717 -9.532 0.469 1.00 0.75 O ATOM 2063 CB SER B 32 -14.881 -10.338 -2.202 1.00 0.69 C ATOM 2064 OG SER B 32 -16.184 -10.022 -2.662 1.00 1.09 O ATOM 0 H SER B 32 -16.339 -11.847 -0.233 1.00 0.74 H new ATOM 0 HA SER B 32 -13.818 -10.391 -0.340 1.00 0.71 H new ATOM 0 HB2 SER B 32 -14.184 -9.561 -2.517 1.00 0.69 H new ATOM 0 HB3 SER B 32 -14.548 -11.270 -2.659 1.00 0.69 H new ATOM 0 HG SER B 32 -16.122 -9.536 -3.511 1.00 1.09 H new ATOM 2070 N LEU B 33 -15.032 -8.176 -0.146 1.00 0.72 N ATOM 2071 CA LEU B 33 -15.622 -6.969 0.337 1.00 0.74 C ATOM 2072 C LEU B 33 -16.259 -6.299 -0.849 1.00 0.57 C ATOM 2073 O LEU B 33 -15.796 -6.493 -1.974 1.00 0.53 O ATOM 2074 CB LEU B 33 -14.541 -6.090 0.919 1.00 1.00 C ATOM 2075 CG LEU B 33 -14.879 -4.614 1.066 1.00 1.19 C ATOM 2076 CD1 LEU B 33 -14.284 -4.090 2.357 1.00 1.93 C ATOM 2077 CD2 LEU B 33 -14.342 -3.851 -0.142 1.00 1.69 C ATOM 0 H LEU B 33 -14.108 -8.045 -0.558 1.00 0.72 H new ATOM 0 HA LEU B 33 -16.362 -7.160 1.114 1.00 0.74 H new ATOM 0 HB2 LEU B 33 -14.275 -6.480 1.902 1.00 1.00 H new ATOM 0 HB3 LEU B 33 -13.654 -6.177 0.291 1.00 1.00 H new ATOM 0 HG LEU B 33 -15.959 -4.475 1.106 1.00 1.19 H new ATOM 0 HD11 LEU B 33 -14.524 -3.032 2.465 1.00 1.93 H new ATOM 0 HD12 LEU B 33 -14.697 -4.644 3.200 1.00 1.93 H new ATOM 0 HD13 LEU B 33 -13.201 -4.216 2.336 1.00 1.93 H new ATOM 0 HD21 LEU B 33 -14.582 -2.793 -0.040 1.00 1.69 H new ATOM 0 HD22 LEU B 33 -13.260 -3.974 -0.198 1.00 1.69 H new ATOM 0 HD23 LEU B 33 -14.799 -4.241 -1.051 1.00 1.69 H new ATOM 2089 N ASN B 34 -17.302 -5.518 -0.645 1.00 0.57 N ATOM 2090 CA ASN B 34 -17.947 -4.916 -1.769 1.00 0.47 C ATOM 2091 C ASN B 34 -17.860 -3.419 -1.684 1.00 0.41 C ATOM 2092 O ASN B 34 -17.117 -2.888 -0.902 1.00 0.56 O ATOM 2093 CB ASN B 34 -19.399 -5.398 -1.834 1.00 0.56 C ATOM 2094 CG ASN B 34 -19.506 -6.840 -2.287 1.00 1.38 C ATOM 2095 OD1 ASN B 34 -18.613 -7.650 -2.041 1.00 2.13 O ATOM 2096 ND2 ASN B 34 -20.605 -7.169 -2.958 1.00 2.12 N ATOM 0 H ASN B 34 -17.704 -5.296 0.266 1.00 0.57 H new ATOM 0 HA ASN B 34 -17.443 -5.215 -2.688 1.00 0.47 H new ATOM 0 HB2 ASN B 34 -19.859 -5.293 -0.851 1.00 0.56 H new ATOM 0 HB3 ASN B 34 -19.960 -4.762 -2.518 1.00 0.56 H new ATOM 0 HD21 ASN B 34 -20.732 -8.125 -3.291 1.00 2.12 H new ATOM 0 HD22 ASN B 34 -21.321 -6.466 -3.140 1.00 2.12 H new ATOM 2103 N ILE B 35 -18.610 -2.749 -2.500 1.00 0.53 N ATOM 2104 CA ILE B 35 -18.587 -1.299 -2.519 1.00 0.54 C ATOM 2105 C ILE B 35 -19.754 -0.701 -1.747 1.00 0.56 C ATOM 2106 O ILE B 35 -20.237 0.383 -2.069 1.00 0.63 O ATOM 2107 CB ILE B 35 -18.583 -0.775 -3.955 1.00 0.60 C ATOM 2108 CG1 ILE B 35 -19.572 -1.565 -4.815 1.00 0.70 C ATOM 2109 CG2 ILE B 35 -17.179 -0.881 -4.520 1.00 0.66 C ATOM 2110 CD1 ILE B 35 -20.939 -1.722 -4.184 1.00 1.04 C ATOM 0 H ILE B 35 -19.252 -3.174 -3.169 1.00 0.53 H new ATOM 0 HA ILE B 35 -17.667 -0.988 -2.025 1.00 0.54 H new ATOM 0 HB ILE B 35 -18.894 0.270 -3.961 1.00 0.60 H new ATOM 0 HG12 ILE B 35 -19.681 -1.066 -5.778 1.00 0.70 H new ATOM 0 HG13 ILE B 35 -19.158 -2.554 -5.014 1.00 0.70 H new ATOM 0 HG21 ILE B 35 -17.170 -0.509 -5.544 1.00 0.66 H new ATOM 0 HG22 ILE B 35 -16.496 -0.287 -3.912 1.00 0.66 H new ATOM 0 HG23 ILE B 35 -16.861 -1.923 -4.510 1.00 0.66 H new ATOM 0 HD11 ILE B 35 -21.585 -2.292 -4.852 1.00 1.04 H new ATOM 0 HD12 ILE B 35 -20.843 -2.249 -3.235 1.00 1.04 H new ATOM 0 HD13 ILE B 35 -21.375 -0.738 -4.011 1.00 1.04 H new ATOM 2122 N ASN B 36 -20.196 -1.418 -0.726 1.00 0.59 N ATOM 2123 CA ASN B 36 -21.295 -0.960 0.105 1.00 0.63 C ATOM 2124 C ASN B 36 -20.789 0.042 1.115 1.00 0.59 C ATOM 2125 O ASN B 36 -21.122 1.225 1.031 1.00 0.59 O ATOM 2126 CB ASN B 36 -21.980 -2.138 0.800 1.00 0.70 C ATOM 2127 CG ASN B 36 -22.887 -2.914 -0.136 1.00 1.34 C ATOM 2128 OD1 ASN B 36 -22.453 -3.857 -0.797 1.00 2.16 O ATOM 2129 ND2 ASN B 36 -24.154 -2.521 -0.194 1.00 1.90 N ATOM 0 H ASN B 36 -19.809 -2.321 -0.453 1.00 0.59 H new ATOM 0 HA ASN B 36 -22.037 -0.474 -0.529 1.00 0.63 H new ATOM 0 HB2 ASN B 36 -21.222 -2.808 1.205 1.00 0.70 H new ATOM 0 HB3 ASN B 36 -22.563 -1.769 1.644 1.00 0.70 H new ATOM 0 HD21 ASN B 36 -24.811 -3.007 -0.805 1.00 1.90 H new ATOM 0 HD22 ASN B 36 -24.470 -1.734 0.372 1.00 1.90 H new ATOM 2136 N GLU B 37 -19.992 -0.403 2.079 1.00 0.58 N ATOM 2137 CA GLU B 37 -19.467 0.550 3.037 1.00 0.56 C ATOM 2138 C GLU B 37 -18.405 1.415 2.390 1.00 0.50 C ATOM 2139 O GLU B 37 -18.100 2.493 2.894 1.00 0.53 O ATOM 2140 CB GLU B 37 -18.941 -0.107 4.299 1.00 0.68 C ATOM 2141 CG GLU B 37 -19.746 -1.314 4.717 1.00 0.76 C ATOM 2142 CD GLU B 37 -19.469 -1.727 6.149 1.00 0.77 C ATOM 2143 OE1 GLU B 37 -20.162 -1.222 7.057 1.00 1.28 O ATOM 2144 OE2 GLU B 37 -18.561 -2.557 6.363 1.00 1.41 O ATOM 0 H GLU B 37 -19.707 -1.373 2.213 1.00 0.58 H new ATOM 0 HA GLU B 37 -20.300 1.181 3.348 1.00 0.56 H new ATOM 0 HB2 GLU B 37 -17.905 -0.406 4.141 1.00 0.68 H new ATOM 0 HB3 GLU B 37 -18.943 0.622 5.109 1.00 0.68 H new ATOM 0 HG2 GLU B 37 -20.808 -1.096 4.604 1.00 0.76 H new ATOM 0 HG3 GLU B 37 -19.519 -2.147 4.051 1.00 0.76 H new ATOM 2151 N PHE B 38 -17.821 0.962 1.267 1.00 0.47 N ATOM 2152 CA PHE B 38 -16.856 1.792 0.564 1.00 0.43 C ATOM 2153 C PHE B 38 -17.503 3.162 0.354 1.00 0.45 C ATOM 2154 O PHE B 38 -16.860 4.200 0.387 1.00 0.46 O ATOM 2155 CB PHE B 38 -16.516 1.191 -0.801 1.00 0.43 C ATOM 2156 CG PHE B 38 -15.247 1.722 -1.404 1.00 0.41 C ATOM 2157 CD1 PHE B 38 -15.121 3.064 -1.717 1.00 1.30 C ATOM 2158 CD2 PHE B 38 -14.184 0.873 -1.661 1.00 1.21 C ATOM 2159 CE1 PHE B 38 -13.952 3.553 -2.273 1.00 1.32 C ATOM 2160 CE2 PHE B 38 -13.013 1.354 -2.217 1.00 1.21 C ATOM 2161 CZ PHE B 38 -12.897 2.697 -2.523 1.00 0.46 C ATOM 0 H PHE B 38 -18.000 0.051 0.844 1.00 0.47 H new ATOM 0 HA PHE B 38 -15.937 1.864 1.145 1.00 0.43 H new ATOM 0 HB2 PHE B 38 -16.433 0.109 -0.699 1.00 0.43 H new ATOM 0 HB3 PHE B 38 -17.341 1.384 -1.487 1.00 0.43 H new ATOM 0 HD1 PHE B 38 -15.944 3.737 -1.525 1.00 1.30 H new ATOM 0 HD2 PHE B 38 -14.270 -0.177 -1.424 1.00 1.21 H new ATOM 0 HE1 PHE B 38 -13.865 4.603 -2.511 1.00 1.32 H new ATOM 0 HE2 PHE B 38 -12.191 0.682 -2.412 1.00 1.21 H new ATOM 0 HZ PHE B 38 -11.983 3.076 -2.957 1.00 0.46 H new ATOM 2171 N LYS B 39 -18.820 3.128 0.166 1.00 0.49 N ATOM 2172 CA LYS B 39 -19.595 4.340 -0.040 1.00 0.53 C ATOM 2173 C LYS B 39 -19.447 5.292 1.126 1.00 0.54 C ATOM 2174 O LYS B 39 -19.761 6.474 1.026 1.00 0.58 O ATOM 2175 CB LYS B 39 -21.052 3.996 -0.272 1.00 0.62 C ATOM 2176 CG LYS B 39 -21.254 3.203 -1.533 1.00 0.68 C ATOM 2177 CD LYS B 39 -22.559 2.430 -1.488 1.00 0.70 C ATOM 2178 CE LYS B 39 -22.948 1.900 -2.858 1.00 1.49 C ATOM 2179 NZ LYS B 39 -23.070 2.994 -3.860 1.00 1.82 N ATOM 0 H LYS B 39 -19.371 2.269 0.153 1.00 0.49 H new ATOM 0 HA LYS B 39 -19.209 4.844 -0.926 1.00 0.53 H new ATOM 0 HB2 LYS B 39 -21.429 3.427 0.578 1.00 0.62 H new ATOM 0 HB3 LYS B 39 -21.637 4.914 -0.325 1.00 0.62 H new ATOM 0 HG2 LYS B 39 -21.254 3.874 -2.392 1.00 0.68 H new ATOM 0 HG3 LYS B 39 -20.422 2.512 -1.669 1.00 0.68 H new ATOM 0 HD2 LYS B 39 -22.465 1.598 -0.790 1.00 0.70 H new ATOM 0 HD3 LYS B 39 -23.351 3.076 -1.110 1.00 0.70 H new ATOM 0 HE2 LYS B 39 -22.202 1.180 -3.195 1.00 1.49 H new ATOM 0 HE3 LYS B 39 -23.896 1.366 -2.786 1.00 1.49 H new ATOM 0 HZ1 LYS B 39 -23.544 2.633 -4.712 1.00 1.82 H new ATOM 0 HZ2 LYS B 39 -23.629 3.773 -3.457 1.00 1.82 H new ATOM 0 HZ3 LYS B 39 -22.123 3.342 -4.112 1.00 1.82 H new ATOM 2193 N GLU B 40 -19.013 4.756 2.245 1.00 0.53 N ATOM 2194 CA GLU B 40 -18.763 5.567 3.412 1.00 0.57 C ATOM 2195 C GLU B 40 -17.386 6.231 3.287 1.00 0.55 C ATOM 2196 O GLU B 40 -16.969 6.975 4.175 1.00 0.61 O ATOM 2197 CB GLU B 40 -18.851 4.711 4.690 1.00 0.61 C ATOM 2198 CG GLU B 40 -17.573 3.956 5.051 1.00 1.09 C ATOM 2199 CD GLU B 40 -17.027 4.352 6.410 1.00 1.91 C ATOM 2200 OE1 GLU B 40 -17.471 3.767 7.420 1.00 2.42 O ATOM 2201 OE2 GLU B 40 -16.157 5.247 6.463 1.00 2.62 O ATOM 0 H GLU B 40 -18.826 3.761 2.370 1.00 0.53 H new ATOM 0 HA GLU B 40 -19.522 6.346 3.481 1.00 0.57 H new ATOM 0 HB2 GLU B 40 -19.121 5.358 5.525 1.00 0.61 H new ATOM 0 HB3 GLU B 40 -19.660 3.990 4.571 1.00 0.61 H new ATOM 0 HG2 GLU B 40 -17.773 2.885 5.042 1.00 1.09 H new ATOM 0 HG3 GLU B 40 -16.816 4.145 4.290 1.00 1.09 H new ATOM 2208 N LEU B 41 -16.680 5.968 2.171 1.00 0.50 N ATOM 2209 CA LEU B 41 -15.360 6.511 1.977 1.00 0.50 C ATOM 2210 C LEU B 41 -15.420 7.933 1.494 1.00 0.55 C ATOM 2211 O LEU B 41 -15.470 8.840 2.301 1.00 0.63 O ATOM 2212 CB LEU B 41 -14.544 5.667 0.996 1.00 0.46 C ATOM 2213 CG LEU B 41 -14.284 4.214 1.379 1.00 0.44 C ATOM 2214 CD1 LEU B 41 -12.940 3.772 0.822 1.00 0.55 C ATOM 2215 CD2 LEU B 41 -14.335 4.003 2.894 1.00 0.66 C ATOM 0 H LEU B 41 -17.016 5.384 1.405 1.00 0.50 H new ATOM 0 HA LEU B 41 -14.864 6.491 2.948 1.00 0.50 H new ATOM 0 HB2 LEU B 41 -15.056 5.677 0.034 1.00 0.46 H new ATOM 0 HB3 LEU B 41 -13.581 6.156 0.849 1.00 0.46 H new ATOM 0 HG LEU B 41 -15.076 3.603 0.945 1.00 0.44 H new ATOM 0 HD11 LEU B 41 -12.756 2.733 1.097 1.00 0.55 H new ATOM 0 HD12 LEU B 41 -12.948 3.864 -0.264 1.00 0.55 H new ATOM 0 HD13 LEU B 41 -12.151 4.401 1.233 1.00 0.55 H new ATOM 0 HD21 LEU B 41 -14.144 2.954 3.122 1.00 0.66 H new ATOM 0 HD22 LEU B 41 -13.577 4.622 3.373 1.00 0.66 H new ATOM 0 HD23 LEU B 41 -15.320 4.282 3.267 1.00 0.66 H new ATOM 2227 N ALA B 42 -15.451 8.130 0.178 1.00 0.55 N ATOM 2228 CA ALA B 42 -15.460 9.481 -0.383 1.00 0.62 C ATOM 2229 C ALA B 42 -16.381 10.381 0.409 1.00 0.68 C ATOM 2230 O ALA B 42 -16.107 11.553 0.615 1.00 0.76 O ATOM 2231 CB ALA B 42 -15.885 9.460 -1.827 1.00 0.65 C ATOM 0 H ALA B 42 -15.470 7.381 -0.514 1.00 0.55 H new ATOM 0 HA ALA B 42 -14.445 9.873 -0.324 1.00 0.62 H new ATOM 0 HB1 ALA B 42 -15.884 10.476 -2.221 1.00 0.65 H new ATOM 0 HB2 ALA B 42 -15.191 8.847 -2.402 1.00 0.65 H new ATOM 0 HB3 ALA B 42 -16.889 9.042 -1.905 1.00 0.65 H new ATOM 2237 N THR B 43 -17.459 9.790 0.878 1.00 0.65 N ATOM 2238 CA THR B 43 -18.433 10.499 1.672 1.00 0.73 C ATOM 2239 C THR B 43 -17.764 11.200 2.852 1.00 0.78 C ATOM 2240 O THR B 43 -17.761 12.427 2.948 1.00 0.85 O ATOM 2241 CB THR B 43 -19.515 9.537 2.189 1.00 0.73 C ATOM 2242 OG1 THR B 43 -18.940 8.247 2.457 1.00 0.66 O ATOM 2243 CG2 THR B 43 -20.630 9.403 1.168 1.00 0.76 C ATOM 0 H THR B 43 -17.682 8.808 0.719 1.00 0.65 H new ATOM 0 HA THR B 43 -18.900 11.250 1.034 1.00 0.73 H new ATOM 0 HB THR B 43 -19.929 9.941 3.113 1.00 0.73 H new ATOM 0 HG1 THR B 43 -19.072 7.662 1.682 1.00 0.66 H new ATOM 0 HG21 THR B 43 -21.390 8.719 1.546 1.00 0.76 H new ATOM 0 HG22 THR B 43 -21.078 10.380 0.989 1.00 0.76 H new ATOM 0 HG23 THR B 43 -20.224 9.013 0.235 1.00 0.76 H new ATOM 2251 N GLN B 44 -17.198 10.397 3.744 1.00 0.76 N ATOM 2252 CA GLN B 44 -16.503 10.895 4.928 1.00 0.84 C ATOM 2253 C GLN B 44 -15.088 11.336 4.585 1.00 0.83 C ATOM 2254 O GLN B 44 -14.570 12.308 5.135 1.00 0.92 O ATOM 2255 CB GLN B 44 -16.473 9.783 5.975 1.00 0.87 C ATOM 2256 CG GLN B 44 -17.835 9.491 6.584 1.00 1.54 C ATOM 2257 CD GLN B 44 -17.780 8.433 7.669 1.00 2.04 C ATOM 2258 OE1 GLN B 44 -16.768 8.283 8.355 1.00 2.53 O ATOM 2259 NE2 GLN B 44 -18.873 7.695 7.834 1.00 2.74 N ATOM 0 H GLN B 44 -17.207 9.380 3.668 1.00 0.76 H new ATOM 0 HA GLN B 44 -17.032 11.764 5.319 1.00 0.84 H new ATOM 0 HB2 GLN B 44 -16.085 8.873 5.517 1.00 0.87 H new ATOM 0 HB3 GLN B 44 -15.780 10.060 6.769 1.00 0.87 H new ATOM 0 HG2 GLN B 44 -18.246 10.411 7.000 1.00 1.54 H new ATOM 0 HG3 GLN B 44 -18.516 9.164 5.799 1.00 1.54 H new ATOM 0 HE21 GLN B 44 -19.689 7.853 7.243 1.00 2.74 H new ATOM 0 HE22 GLN B 44 -18.896 6.970 8.551 1.00 2.74 H new ATOM 2268 N GLN B 45 -14.476 10.604 3.675 1.00 0.79 N ATOM 2269 CA GLN B 45 -13.136 10.883 3.218 1.00 0.82 C ATOM 2270 C GLN B 45 -13.104 12.190 2.457 1.00 0.78 C ATOM 2271 O GLN B 45 -12.047 12.808 2.329 1.00 0.79 O ATOM 2272 CB GLN B 45 -12.679 9.756 2.316 1.00 0.93 C ATOM 2273 CG GLN B 45 -12.601 8.417 3.018 1.00 0.95 C ATOM 2274 CD GLN B 45 -11.465 7.549 2.521 1.00 1.37 C ATOM 2275 OE1 GLN B 45 -10.984 6.690 3.256 1.00 2.35 O ATOM 2276 NE2 GLN B 45 -11.035 7.763 1.272 1.00 1.45 N ATOM 0 H GLN B 45 -14.903 9.791 3.230 1.00 0.79 H new ATOM 0 HA GLN B 45 -12.470 10.964 4.077 1.00 0.82 H new ATOM 0 HB2 GLN B 45 -13.364 9.676 1.472 1.00 0.93 H new ATOM 0 HB3 GLN B 45 -11.698 10.002 1.909 1.00 0.93 H new ATOM 0 HG2 GLN B 45 -12.482 8.582 4.089 1.00 0.95 H new ATOM 0 HG3 GLN B 45 -13.543 7.886 2.880 1.00 0.95 H new ATOM 0 HE21 GLN B 45 -11.468 8.489 0.701 1.00 1.45 H new ATOM 0 HE22 GLN B 45 -10.275 7.200 0.891 1.00 1.45 H new ATOM 2285 N LEU B 46 -14.273 12.603 1.928 1.00 0.78 N ATOM 2286 CA LEU B 46 -14.391 13.864 1.188 1.00 0.78 C ATOM 2287 C LEU B 46 -13.525 14.908 1.868 1.00 0.74 C ATOM 2288 O LEU B 46 -12.444 15.214 1.367 1.00 0.75 O ATOM 2289 CB LEU B 46 -15.851 14.357 1.093 1.00 0.83 C ATOM 2290 CG LEU B 46 -16.564 14.190 -0.265 1.00 1.04 C ATOM 2291 CD1 LEU B 46 -17.770 15.114 -0.338 1.00 1.25 C ATOM 2292 CD2 LEU B 46 -15.622 14.464 -1.429 1.00 1.30 C ATOM 0 H LEU B 46 -15.145 12.079 2.002 1.00 0.78 H new ATOM 0 HA LEU B 46 -14.053 13.695 0.166 1.00 0.78 H new ATOM 0 HB2 LEU B 46 -16.435 13.831 1.848 1.00 0.83 H new ATOM 0 HB3 LEU B 46 -15.868 15.415 1.356 1.00 0.83 H new ATOM 0 HG LEU B 46 -16.897 13.155 -0.343 1.00 1.04 H new ATOM 0 HD11 LEU B 46 -18.267 14.989 -1.300 1.00 1.25 H new ATOM 0 HD12 LEU B 46 -18.466 14.868 0.464 1.00 1.25 H new ATOM 0 HD13 LEU B 46 -17.443 16.148 -0.230 1.00 1.25 H new ATOM 0 HD21 LEU B 46 -16.159 14.337 -2.369 1.00 1.30 H new ATOM 0 HD22 LEU B 46 -15.247 15.485 -1.361 1.00 1.30 H new ATOM 0 HD23 LEU B 46 -14.785 13.767 -1.392 1.00 1.30 H new ATOM 2304 N PRO B 47 -13.918 15.452 3.038 1.00 0.78 N ATOM 2305 CA PRO B 47 -13.041 16.399 3.676 1.00 0.80 C ATOM 2306 C PRO B 47 -11.956 15.692 4.452 1.00 0.77 C ATOM 2307 O PRO B 47 -12.105 15.323 5.616 1.00 0.82 O ATOM 2308 CB PRO B 47 -13.978 17.129 4.630 1.00 0.91 C ATOM 2309 CG PRO B 47 -15.015 16.112 4.985 1.00 0.95 C ATOM 2310 CD PRO B 47 -15.167 15.223 3.778 1.00 0.90 C ATOM 0 HA PRO B 47 -12.529 17.054 2.970 1.00 0.80 H new ATOM 0 HB2 PRO B 47 -13.448 17.482 5.515 1.00 0.91 H new ATOM 0 HB3 PRO B 47 -14.425 18.003 4.157 1.00 0.91 H new ATOM 0 HG2 PRO B 47 -14.710 15.534 5.857 1.00 0.95 H new ATOM 0 HG3 PRO B 47 -15.961 16.592 5.236 1.00 0.95 H new ATOM 0 HD2 PRO B 47 -15.283 14.176 4.060 1.00 0.90 H new ATOM 0 HD3 PRO B 47 -16.042 15.492 3.186 1.00 0.90 H new ATOM 2318 N HIS B 48 -10.869 15.514 3.748 1.00 0.73 N ATOM 2319 CA HIS B 48 -9.652 14.942 4.254 1.00 0.75 C ATOM 2320 C HIS B 48 -8.676 16.046 4.614 1.00 0.83 C ATOM 2321 O HIS B 48 -9.075 17.184 4.863 1.00 0.91 O ATOM 2322 CB HIS B 48 -9.110 14.027 3.179 1.00 0.73 C ATOM 2323 CG HIS B 48 -9.157 12.578 3.570 1.00 0.98 C ATOM 2324 ND1 HIS B 48 -9.891 11.629 2.889 1.00 1.86 N ATOM 2325 CD2 HIS B 48 -8.560 11.921 4.593 1.00 1.34 C ATOM 2326 CE1 HIS B 48 -9.742 10.454 3.475 1.00 2.02 C ATOM 2327 NE2 HIS B 48 -8.940 10.605 4.511 1.00 1.59 N ATOM 0 H HIS B 48 -10.807 15.776 2.764 1.00 0.73 H new ATOM 0 HA HIS B 48 -9.823 14.368 5.165 1.00 0.75 H new ATOM 0 HB2 HIS B 48 -9.684 14.170 2.263 1.00 0.73 H new ATOM 0 HB3 HIS B 48 -8.080 14.305 2.957 1.00 0.73 H new ATOM 0 HD1 HIS B 48 -10.460 11.807 2.062 1.00 1.86 H new ATOM 0 HD2 HIS B 48 -7.906 12.353 5.336 1.00 1.34 H new ATOM 0 HE1 HIS B 48 -10.199 9.528 3.159 1.00 2.02 H new ATOM 2336 N LEU B 49 -7.394 15.707 4.638 1.00 0.89 N ATOM 2337 CA LEU B 49 -6.368 16.706 4.846 1.00 1.00 C ATOM 2338 C LEU B 49 -6.128 17.378 3.493 1.00 0.98 C ATOM 2339 O LEU B 49 -6.703 18.426 3.200 1.00 1.02 O ATOM 2340 CB LEU B 49 -5.083 16.076 5.394 1.00 1.10 C ATOM 2341 CG LEU B 49 -5.184 15.547 6.826 1.00 1.62 C ATOM 2342 CD1 LEU B 49 -3.858 14.949 7.271 1.00 2.02 C ATOM 2343 CD2 LEU B 49 -5.616 16.656 7.773 1.00 2.44 C ATOM 0 H LEU B 49 -7.047 14.756 4.517 1.00 0.89 H new ATOM 0 HA LEU B 49 -6.685 17.439 5.588 1.00 1.00 H new ATOM 0 HB2 LEU B 49 -4.790 15.255 4.739 1.00 1.10 H new ATOM 0 HB3 LEU B 49 -4.285 16.818 5.352 1.00 1.10 H new ATOM 0 HG LEU B 49 -5.938 14.760 6.850 1.00 1.62 H new ATOM 0 HD11 LEU B 49 -3.950 14.578 8.292 1.00 2.02 H new ATOM 0 HD12 LEU B 49 -3.590 14.126 6.609 1.00 2.02 H new ATOM 0 HD13 LEU B 49 -3.082 15.714 7.231 1.00 2.02 H new ATOM 0 HD21 LEU B 49 -5.683 16.263 8.787 1.00 2.44 H new ATOM 0 HD22 LEU B 49 -4.885 17.464 7.745 1.00 2.44 H new ATOM 0 HD23 LEU B 49 -6.590 17.037 7.467 1.00 2.44 H new ATOM 2355 N LEU B 50 -5.274 16.765 2.670 1.00 0.98 N ATOM 2356 CA LEU B 50 -5.014 17.262 1.317 1.00 1.01 C ATOM 2357 C LEU B 50 -6.064 16.679 0.360 1.00 0.92 C ATOM 2358 O LEU B 50 -5.735 16.123 -0.685 1.00 1.01 O ATOM 2359 CB LEU B 50 -3.582 16.919 0.862 1.00 1.11 C ATOM 2360 CG LEU B 50 -3.331 15.478 0.397 1.00 1.60 C ATOM 2361 CD1 LEU B 50 -1.839 15.202 0.320 1.00 1.97 C ATOM 2362 CD2 LEU B 50 -4.005 14.479 1.320 1.00 2.24 C ATOM 0 H LEU B 50 -4.751 15.925 2.917 1.00 0.98 H new ATOM 0 HA LEU B 50 -5.092 18.349 1.311 1.00 1.01 H new ATOM 0 HB2 LEU B 50 -3.314 17.591 0.046 1.00 1.11 H new ATOM 0 HB3 LEU B 50 -2.903 17.133 1.687 1.00 1.11 H new ATOM 0 HG LEU B 50 -3.764 15.364 -0.597 1.00 1.60 H new ATOM 0 HD11 LEU B 50 -1.675 14.176 -0.011 1.00 1.97 H new ATOM 0 HD12 LEU B 50 -1.378 15.890 -0.389 1.00 1.97 H new ATOM 0 HD13 LEU B 50 -1.392 15.341 1.304 1.00 1.97 H new ATOM 0 HD21 LEU B 50 -3.810 13.467 0.966 1.00 2.24 H new ATOM 0 HD22 LEU B 50 -3.610 14.592 2.330 1.00 2.24 H new ATOM 0 HD23 LEU B 50 -5.080 14.659 1.329 1.00 2.24 H new ATOM 2374 N LYS B 51 -7.333 16.835 0.729 1.00 0.85 N ATOM 2375 CA LYS B 51 -8.452 16.291 -0.027 1.00 0.80 C ATOM 2376 C LYS B 51 -8.284 16.398 -1.533 1.00 0.89 C ATOM 2377 O LYS B 51 -7.600 17.282 -2.050 1.00 1.04 O ATOM 2378 CB LYS B 51 -9.745 16.960 0.429 1.00 0.95 C ATOM 2379 CG LYS B 51 -10.966 16.685 -0.434 1.00 1.24 C ATOM 2380 CD LYS B 51 -12.147 17.508 0.072 1.00 2.12 C ATOM 2381 CE LYS B 51 -13.482 17.009 -0.451 1.00 2.68 C ATOM 2382 NZ LYS B 51 -14.627 17.628 0.273 1.00 3.58 N ATOM 0 H LYS B 51 -7.613 17.346 1.566 1.00 0.85 H new ATOM 0 HA LYS B 51 -8.490 15.222 0.183 1.00 0.80 H new ATOM 0 HB2 LYS B 51 -9.961 16.636 1.447 1.00 0.95 H new ATOM 0 HB3 LYS B 51 -9.583 18.037 0.465 1.00 0.95 H new ATOM 0 HG2 LYS B 51 -10.753 16.936 -1.473 1.00 1.24 H new ATOM 0 HG3 LYS B 51 -11.211 15.623 -0.407 1.00 1.24 H new ATOM 0 HD2 LYS B 51 -12.158 17.486 1.162 1.00 2.12 H new ATOM 0 HD3 LYS B 51 -12.012 18.548 -0.225 1.00 2.12 H new ATOM 0 HE2 LYS B 51 -13.562 17.232 -1.515 1.00 2.68 H new ATOM 0 HE3 LYS B 51 -13.530 15.925 -0.348 1.00 2.68 H new ATOM 0 HZ1 LYS B 51 -15.521 17.262 -0.113 1.00 3.58 H new ATOM 0 HZ2 LYS B 51 -14.565 17.394 1.285 1.00 3.58 H new ATOM 0 HZ3 LYS B 51 -14.596 18.661 0.154 1.00 3.58 H new ATOM 2396 N ASP B 52 -8.936 15.467 -2.219 1.00 0.92 N ATOM 2397 CA ASP B 52 -8.904 15.387 -3.673 1.00 1.17 C ATOM 2398 C ASP B 52 -10.286 15.676 -4.263 1.00 1.24 C ATOM 2399 O ASP B 52 -10.418 15.890 -5.467 1.00 1.47 O ATOM 2400 CB ASP B 52 -8.426 14.002 -4.115 1.00 1.29 C ATOM 2401 CG ASP B 52 -8.433 13.842 -5.623 1.00 1.87 C ATOM 2402 OD1 ASP B 52 -9.493 13.480 -6.176 1.00 2.35 O ATOM 2403 OD2 ASP B 52 -7.379 14.078 -6.249 1.00 2.61 O ATOM 0 H ASP B 52 -9.504 14.743 -1.779 1.00 0.92 H new ATOM 0 HA ASP B 52 -8.207 16.139 -4.042 1.00 1.17 H new ATOM 0 HB2 ASP B 52 -7.417 13.832 -3.739 1.00 1.29 H new ATOM 0 HB3 ASP B 52 -9.065 13.240 -3.669 1.00 1.29 H new ATOM 2408 N VAL B 53 -11.310 15.649 -3.403 1.00 1.14 N ATOM 2409 CA VAL B 53 -12.679 15.925 -3.788 1.00 1.27 C ATOM 2410 C VAL B 53 -13.303 14.765 -4.537 1.00 1.24 C ATOM 2411 O VAL B 53 -13.436 14.782 -5.760 1.00 1.46 O ATOM 2412 CB VAL B 53 -12.778 17.215 -4.604 1.00 1.58 C ATOM 2413 CG1 VAL B 53 -14.205 17.469 -5.076 1.00 2.18 C ATOM 2414 CG2 VAL B 53 -12.264 18.396 -3.793 1.00 1.92 C ATOM 0 H VAL B 53 -11.200 15.432 -2.413 1.00 1.14 H new ATOM 0 HA VAL B 53 -13.245 16.061 -2.867 1.00 1.27 H new ATOM 0 HB VAL B 53 -12.153 17.099 -5.490 1.00 1.58 H new ATOM 0 HG11 VAL B 53 -14.238 18.393 -5.652 1.00 2.18 H new ATOM 0 HG12 VAL B 53 -14.534 16.639 -5.701 1.00 2.18 H new ATOM 0 HG13 VAL B 53 -14.864 17.556 -4.212 1.00 2.18 H new ATOM 0 HG21 VAL B 53 -12.341 19.307 -4.387 1.00 1.92 H new ATOM 0 HG22 VAL B 53 -12.861 18.502 -2.887 1.00 1.92 H new ATOM 0 HG23 VAL B 53 -11.222 18.226 -3.523 1.00 1.92 H new ATOM 2424 N GLY B 54 -13.659 13.742 -3.775 1.00 1.06 N ATOM 2425 CA GLY B 54 -14.313 12.575 -4.341 1.00 1.09 C ATOM 2426 C GLY B 54 -15.452 12.964 -5.261 1.00 1.13 C ATOM 2427 O GLY B 54 -16.563 13.236 -4.811 1.00 1.23 O ATOM 0 H GLY B 54 -13.506 13.697 -2.767 1.00 1.06 H new ATOM 0 HA2 GLY B 54 -13.585 11.982 -4.894 1.00 1.09 H new ATOM 0 HA3 GLY B 54 -14.693 11.945 -3.537 1.00 1.09 H new ATOM 2431 N SER B 55 -15.166 13.012 -6.551 1.00 1.16 N ATOM 2432 CA SER B 55 -16.167 13.377 -7.538 1.00 1.24 C ATOM 2433 C SER B 55 -17.373 12.450 -7.447 1.00 1.10 C ATOM 2434 O SER B 55 -17.227 11.231 -7.368 1.00 1.09 O ATOM 2435 CB SER B 55 -15.548 13.323 -8.928 1.00 1.40 C ATOM 2436 OG SER B 55 -16.372 13.971 -9.884 1.00 1.62 O ATOM 0 H SER B 55 -14.247 12.802 -6.940 1.00 1.16 H new ATOM 0 HA SER B 55 -16.512 14.392 -7.341 1.00 1.24 H new ATOM 0 HB2 SER B 55 -14.566 13.797 -8.910 1.00 1.40 H new ATOM 0 HB3 SER B 55 -15.395 12.284 -9.221 1.00 1.40 H new ATOM 0 HG SER B 55 -15.949 13.922 -10.767 1.00 1.62 H new ATOM 2442 N LEU B 56 -18.567 13.037 -7.462 1.00 1.15 N ATOM 2443 CA LEU B 56 -19.803 12.264 -7.365 1.00 1.10 C ATOM 2444 C LEU B 56 -19.768 11.045 -8.279 1.00 0.98 C ATOM 2445 O LEU B 56 -20.026 9.923 -7.842 1.00 0.97 O ATOM 2446 CB LEU B 56 -21.013 13.137 -7.705 1.00 1.28 C ATOM 2447 CG LEU B 56 -21.465 14.091 -6.596 1.00 2.03 C ATOM 2448 CD1 LEU B 56 -20.383 15.114 -6.289 1.00 2.61 C ATOM 2449 CD2 LEU B 56 -22.761 14.785 -6.988 1.00 2.83 C ATOM 0 H LEU B 56 -18.705 14.045 -7.540 1.00 1.15 H new ATOM 0 HA LEU B 56 -19.894 11.917 -6.336 1.00 1.10 H new ATOM 0 HB2 LEU B 56 -20.778 13.724 -8.593 1.00 1.28 H new ATOM 0 HB3 LEU B 56 -21.848 12.486 -7.964 1.00 1.28 H new ATOM 0 HG LEU B 56 -21.644 13.506 -5.694 1.00 2.03 H new ATOM 0 HD11 LEU B 56 -20.727 15.781 -5.498 1.00 2.61 H new ATOM 0 HD12 LEU B 56 -19.479 14.600 -5.963 1.00 2.61 H new ATOM 0 HD13 LEU B 56 -20.167 15.695 -7.185 1.00 2.61 H new ATOM 0 HD21 LEU B 56 -23.069 15.460 -6.189 1.00 2.83 H new ATOM 0 HD22 LEU B 56 -22.606 15.355 -7.904 1.00 2.83 H new ATOM 0 HD23 LEU B 56 -23.538 14.039 -7.152 1.00 2.83 H new ATOM 2461 N ASP B 57 -19.450 11.268 -9.547 1.00 1.00 N ATOM 2462 CA ASP B 57 -19.377 10.177 -10.510 1.00 1.01 C ATOM 2463 C ASP B 57 -18.290 9.203 -10.135 1.00 0.95 C ATOM 2464 O ASP B 57 -18.505 7.993 -10.075 1.00 0.97 O ATOM 2465 CB ASP B 57 -19.112 10.694 -11.917 1.00 1.15 C ATOM 2466 CG ASP B 57 -18.127 11.848 -11.945 1.00 1.69 C ATOM 2467 OD1 ASP B 57 -16.906 11.588 -11.891 1.00 2.48 O ATOM 2468 OD2 ASP B 57 -18.577 13.010 -12.020 1.00 2.19 O ATOM 0 H ASP B 57 -19.239 12.189 -9.931 1.00 1.00 H new ATOM 0 HA ASP B 57 -20.343 9.672 -10.493 1.00 1.01 H new ATOM 0 HB2 ASP B 57 -18.728 9.880 -12.532 1.00 1.15 H new ATOM 0 HB3 ASP B 57 -20.053 11.015 -12.364 1.00 1.15 H new ATOM 2473 N GLU B 58 -17.131 9.756 -9.868 1.00 0.94 N ATOM 2474 CA GLU B 58 -15.960 8.973 -9.495 1.00 0.95 C ATOM 2475 C GLU B 58 -16.326 8.017 -8.380 1.00 0.87 C ATOM 2476 O GLU B 58 -15.948 6.846 -8.390 1.00 0.90 O ATOM 2477 CB GLU B 58 -14.818 9.886 -9.044 1.00 0.98 C ATOM 2478 CG GLU B 58 -13.521 9.142 -8.776 1.00 1.44 C ATOM 2479 CD GLU B 58 -12.403 10.058 -8.319 1.00 1.80 C ATOM 2480 OE1 GLU B 58 -11.685 10.598 -9.187 1.00 2.29 O ATOM 2481 OE2 GLU B 58 -12.244 10.234 -7.093 1.00 2.42 O ATOM 0 H GLU B 58 -16.965 10.762 -9.901 1.00 0.94 H new ATOM 0 HA GLU B 58 -15.624 8.409 -10.365 1.00 0.95 H new ATOM 0 HB2 GLU B 58 -14.643 10.642 -9.810 1.00 0.98 H new ATOM 0 HB3 GLU B 58 -15.120 10.413 -8.139 1.00 0.98 H new ATOM 0 HG2 GLU B 58 -13.695 8.380 -8.016 1.00 1.44 H new ATOM 0 HG3 GLU B 58 -13.211 8.622 -9.683 1.00 1.44 H new ATOM 2488 N LYS B 59 -17.080 8.535 -7.422 1.00 0.81 N ATOM 2489 CA LYS B 59 -17.528 7.737 -6.304 1.00 0.76 C ATOM 2490 C LYS B 59 -18.437 6.624 -6.783 1.00 0.80 C ATOM 2491 O LYS B 59 -18.518 5.572 -6.157 1.00 0.79 O ATOM 2492 CB LYS B 59 -18.243 8.614 -5.278 1.00 0.75 C ATOM 2493 CG LYS B 59 -17.343 9.701 -4.719 1.00 0.75 C ATOM 2494 CD LYS B 59 -18.128 10.863 -4.135 1.00 1.14 C ATOM 2495 CE LYS B 59 -19.052 10.414 -3.017 1.00 1.95 C ATOM 2496 NZ LYS B 59 -20.029 11.473 -2.640 1.00 2.67 N ATOM 0 H LYS B 59 -17.392 9.506 -7.402 1.00 0.81 H new ATOM 0 HA LYS B 59 -16.658 7.288 -5.824 1.00 0.76 H new ATOM 0 HB2 LYS B 59 -19.117 9.072 -5.742 1.00 0.75 H new ATOM 0 HB3 LYS B 59 -18.606 7.990 -4.461 1.00 0.75 H new ATOM 0 HG2 LYS B 59 -16.701 9.276 -3.947 1.00 0.75 H new ATOM 0 HG3 LYS B 59 -16.689 10.069 -5.510 1.00 0.75 H new ATOM 0 HD2 LYS B 59 -17.436 11.615 -3.755 1.00 1.14 H new ATOM 0 HD3 LYS B 59 -18.714 11.338 -4.922 1.00 1.14 H new ATOM 0 HE2 LYS B 59 -19.590 9.519 -3.329 1.00 1.95 H new ATOM 0 HE3 LYS B 59 -18.459 10.141 -2.144 1.00 1.95 H new ATOM 0 HZ1 LYS B 59 -20.640 11.125 -1.874 1.00 2.67 H new ATOM 0 HZ2 LYS B 59 -19.517 12.319 -2.317 1.00 2.67 H new ATOM 0 HZ3 LYS B 59 -20.613 11.716 -3.465 1.00 2.67 H new ATOM 2510 N MET B 60 -19.115 6.866 -7.900 1.00 0.86 N ATOM 2511 CA MET B 60 -20.024 5.879 -8.475 1.00 0.92 C ATOM 2512 C MET B 60 -19.275 4.839 -9.305 1.00 0.96 C ATOM 2513 O MET B 60 -19.576 3.646 -9.241 1.00 1.01 O ATOM 2514 CB MET B 60 -21.081 6.574 -9.334 1.00 1.00 C ATOM 2515 CG MET B 60 -22.001 7.488 -8.542 1.00 1.01 C ATOM 2516 SD MET B 60 -23.231 8.303 -9.578 1.00 1.74 S ATOM 2517 CE MET B 60 -24.090 6.888 -10.259 1.00 2.31 C ATOM 0 H MET B 60 -19.053 7.738 -8.426 1.00 0.86 H new ATOM 0 HA MET B 60 -20.513 5.359 -7.651 1.00 0.92 H new ATOM 0 HB2 MET B 60 -20.582 7.156 -10.109 1.00 1.00 H new ATOM 0 HB3 MET B 60 -21.681 5.818 -9.840 1.00 1.00 H new ATOM 0 HG2 MET B 60 -22.508 6.907 -7.771 1.00 1.01 H new ATOM 0 HG3 MET B 60 -21.404 8.243 -8.031 1.00 1.01 H new ATOM 0 HE1 MET B 60 -25.151 7.119 -10.358 1.00 2.31 H new ATOM 0 HE2 MET B 60 -23.678 6.649 -11.239 1.00 2.31 H new ATOM 0 HE3 MET B 60 -23.966 6.033 -9.595 1.00 2.31 H new ATOM 2527 N LYS B 61 -18.298 5.297 -10.079 1.00 0.97 N ATOM 2528 CA LYS B 61 -17.513 4.398 -10.932 1.00 1.02 C ATOM 2529 C LYS B 61 -16.573 3.568 -10.088 1.00 0.96 C ATOM 2530 O LYS B 61 -16.526 2.344 -10.203 1.00 0.92 O ATOM 2531 CB LYS B 61 -16.682 5.162 -11.980 1.00 1.09 C ATOM 2532 CG LYS B 61 -17.049 6.624 -12.164 1.00 1.55 C ATOM 2533 CD LYS B 61 -18.495 6.792 -12.605 1.00 2.08 C ATOM 2534 CE LYS B 61 -18.798 5.952 -13.836 1.00 2.60 C ATOM 2535 NZ LYS B 61 -20.203 6.123 -14.295 1.00 3.16 N ATOM 0 H LYS B 61 -18.028 6.279 -10.137 1.00 0.97 H new ATOM 0 HA LYS B 61 -18.226 3.761 -11.455 1.00 1.02 H new ATOM 0 HB2 LYS B 61 -15.631 5.102 -11.699 1.00 1.09 H new ATOM 0 HB3 LYS B 61 -16.785 4.656 -12.940 1.00 1.09 H new ATOM 0 HG2 LYS B 61 -16.890 7.159 -11.228 1.00 1.55 H new ATOM 0 HG3 LYS B 61 -16.388 7.074 -12.905 1.00 1.55 H new ATOM 0 HD2 LYS B 61 -19.161 6.503 -11.792 1.00 2.08 H new ATOM 0 HD3 LYS B 61 -18.692 7.842 -12.821 1.00 2.08 H new ATOM 0 HE2 LYS B 61 -18.117 6.229 -14.641 1.00 2.60 H new ATOM 0 HE3 LYS B 61 -18.615 4.901 -13.612 1.00 2.60 H new ATOM 0 HZ1 LYS B 61 -20.368 5.533 -15.136 1.00 3.16 H new ATOM 0 HZ2 LYS B 61 -20.854 5.834 -13.537 1.00 3.16 H new ATOM 0 HZ3 LYS B 61 -20.371 7.121 -14.534 1.00 3.16 H new ATOM 2549 N THR B 62 -15.837 4.248 -9.227 1.00 0.99 N ATOM 2550 CA THR B 62 -14.872 3.594 -8.363 1.00 0.96 C ATOM 2551 C THR B 62 -15.462 2.347 -7.719 1.00 0.87 C ATOM 2552 O THR B 62 -14.737 1.412 -7.379 1.00 0.84 O ATOM 2553 CB THR B 62 -14.360 4.550 -7.275 1.00 1.03 C ATOM 2554 OG1 THR B 62 -13.785 5.712 -7.883 1.00 1.13 O ATOM 2555 CG2 THR B 62 -13.323 3.863 -6.402 1.00 1.05 C ATOM 0 H THR B 62 -15.890 5.260 -9.108 1.00 0.99 H new ATOM 0 HA THR B 62 -14.031 3.297 -8.990 1.00 0.96 H new ATOM 0 HB THR B 62 -15.202 4.845 -6.649 1.00 1.03 H new ATOM 0 HG1 THR B 62 -14.486 6.224 -8.338 1.00 1.13 H new ATOM 0 HG21 THR B 62 -12.973 4.557 -5.638 1.00 1.05 H new ATOM 0 HG22 THR B 62 -13.770 2.992 -5.923 1.00 1.05 H new ATOM 0 HG23 THR B 62 -12.481 3.547 -7.018 1.00 1.05 H new ATOM 2563 N LEU B 63 -16.785 2.334 -7.552 1.00 0.86 N ATOM 2564 CA LEU B 63 -17.454 1.175 -6.978 1.00 0.83 C ATOM 2565 C LEU B 63 -17.061 -0.082 -7.747 1.00 0.80 C ATOM 2566 O LEU B 63 -16.132 -0.794 -7.365 1.00 0.89 O ATOM 2567 CB LEU B 63 -18.979 1.323 -7.017 1.00 0.95 C ATOM 2568 CG LEU B 63 -19.618 2.074 -5.847 1.00 0.92 C ATOM 2569 CD1 LEU B 63 -20.078 3.444 -6.296 1.00 1.05 C ATOM 2570 CD2 LEU B 63 -20.796 1.289 -5.285 1.00 1.41 C ATOM 0 H LEU B 63 -17.405 3.104 -7.804 1.00 0.86 H new ATOM 0 HA LEU B 63 -17.141 1.098 -5.937 1.00 0.83 H new ATOM 0 HB2 LEU B 63 -19.249 1.835 -7.941 1.00 0.95 H new ATOM 0 HB3 LEU B 63 -19.418 0.327 -7.065 1.00 0.95 H new ATOM 0 HG LEU B 63 -18.870 2.188 -5.062 1.00 0.92 H new ATOM 0 HD11 LEU B 63 -20.531 3.969 -5.455 1.00 1.05 H new ATOM 0 HD12 LEU B 63 -19.223 4.013 -6.661 1.00 1.05 H new ATOM 0 HD13 LEU B 63 -20.812 3.338 -7.095 1.00 1.05 H new ATOM 0 HD21 LEU B 63 -21.237 1.840 -4.454 1.00 1.41 H new ATOM 0 HD22 LEU B 63 -21.545 1.148 -6.065 1.00 1.41 H new ATOM 0 HD23 LEU B 63 -20.451 0.317 -4.934 1.00 1.41 H new ATOM 2582 N ASP B 64 -17.753 -0.332 -8.858 1.00 0.78 N ATOM 2583 CA ASP B 64 -17.475 -1.502 -9.680 1.00 0.81 C ATOM 2584 C ASP B 64 -15.981 -1.611 -9.964 1.00 0.81 C ATOM 2585 O ASP B 64 -15.436 -2.712 -10.052 1.00 0.88 O ATOM 2586 CB ASP B 64 -18.276 -1.439 -10.982 1.00 0.91 C ATOM 2587 CG ASP B 64 -17.843 -2.486 -11.994 1.00 1.34 C ATOM 2588 OD1 ASP B 64 -18.377 -3.614 -11.949 1.00 1.96 O ATOM 2589 OD2 ASP B 64 -16.968 -2.176 -12.830 1.00 2.05 O ATOM 0 H ASP B 64 -18.507 0.260 -9.206 1.00 0.78 H new ATOM 0 HA ASP B 64 -17.781 -2.394 -9.134 1.00 0.81 H new ATOM 0 HB2 ASP B 64 -19.334 -1.573 -10.758 1.00 0.91 H new ATOM 0 HB3 ASP B 64 -18.166 -0.448 -11.423 1.00 0.91 H new ATOM 2594 N VAL B 65 -15.319 -0.463 -10.107 1.00 0.81 N ATOM 2595 CA VAL B 65 -13.882 -0.452 -10.343 1.00 0.87 C ATOM 2596 C VAL B 65 -13.202 -1.245 -9.238 1.00 0.77 C ATOM 2597 O VAL B 65 -12.739 -2.365 -9.457 1.00 0.83 O ATOM 2598 CB VAL B 65 -13.318 0.984 -10.381 1.00 0.95 C ATOM 2599 CG1 VAL B 65 -11.805 0.966 -10.527 1.00 1.06 C ATOM 2600 CG2 VAL B 65 -13.956 1.773 -11.515 1.00 1.07 C ATOM 0 H VAL B 65 -15.752 0.460 -10.064 1.00 0.81 H new ATOM 0 HA VAL B 65 -13.686 -0.904 -11.315 1.00 0.87 H new ATOM 0 HB VAL B 65 -13.561 1.473 -9.438 1.00 0.95 H new ATOM 0 HG11 VAL B 65 -11.430 1.989 -10.552 1.00 1.06 H new ATOM 0 HG12 VAL B 65 -11.364 0.438 -9.682 1.00 1.06 H new ATOM 0 HG13 VAL B 65 -11.535 0.458 -11.453 1.00 1.06 H new ATOM 0 HG21 VAL B 65 -13.548 2.784 -11.529 1.00 1.07 H new ATOM 0 HG22 VAL B 65 -13.743 1.282 -12.465 1.00 1.07 H new ATOM 0 HG23 VAL B 65 -15.035 1.819 -11.365 1.00 1.07 H new ATOM 2610 N ASN B 66 -13.148 -0.659 -8.045 1.00 0.72 N ATOM 2611 CA ASN B 66 -12.578 -1.338 -6.888 1.00 0.67 C ATOM 2612 C ASN B 66 -13.615 -2.228 -6.197 1.00 0.56 C ATOM 2613 O ASN B 66 -13.604 -2.361 -4.976 1.00 0.57 O ATOM 2614 CB ASN B 66 -12.044 -0.348 -5.877 1.00 0.81 C ATOM 2615 CG ASN B 66 -11.408 0.873 -6.514 1.00 0.82 C ATOM 2616 OD1 ASN B 66 -10.969 0.832 -7.662 1.00 1.52 O ATOM 2617 ND2 ASN B 66 -11.340 1.965 -5.760 1.00 1.10 N ATOM 0 H ASN B 66 -13.492 0.283 -7.856 1.00 0.72 H new ATOM 0 HA ASN B 66 -11.760 -1.955 -7.261 1.00 0.67 H new ATOM 0 HB2 ASN B 66 -12.858 -0.028 -5.227 1.00 0.81 H new ATOM 0 HB3 ASN B 66 -11.308 -0.845 -5.245 1.00 0.81 H new ATOM 0 HD21 ASN B 66 -10.911 2.814 -6.129 1.00 1.10 H new ATOM 0 HD22 ASN B 66 -11.717 1.955 -4.812 1.00 1.10 H new ATOM 2624 N GLN B 67 -14.522 -2.810 -6.968 1.00 0.63 N ATOM 2625 CA GLN B 67 -15.559 -3.687 -6.439 1.00 0.68 C ATOM 2626 C GLN B 67 -15.003 -4.592 -5.329 1.00 0.61 C ATOM 2627 O GLN B 67 -15.452 -4.547 -4.184 1.00 0.66 O ATOM 2628 CB GLN B 67 -16.133 -4.479 -7.632 1.00 0.90 C ATOM 2629 CG GLN B 67 -16.526 -5.928 -7.362 1.00 0.74 C ATOM 2630 CD GLN B 67 -15.561 -6.963 -7.948 1.00 1.20 C ATOM 2631 OE1 GLN B 67 -15.940 -8.120 -8.130 1.00 2.01 O ATOM 2632 NE2 GLN B 67 -14.328 -6.564 -8.288 1.00 1.44 N ATOM 0 H GLN B 67 -14.561 -2.688 -7.980 1.00 0.63 H new ATOM 0 HA GLN B 67 -16.359 -3.116 -5.967 1.00 0.68 H new ATOM 0 HB2 GLN B 67 -17.012 -3.950 -8.001 1.00 0.90 H new ATOM 0 HB3 GLN B 67 -15.395 -4.470 -8.434 1.00 0.90 H new ATOM 0 HG2 GLN B 67 -16.592 -6.079 -6.285 1.00 0.74 H new ATOM 0 HG3 GLN B 67 -17.521 -6.104 -7.770 1.00 0.74 H new ATOM 0 HE21 GLN B 67 -14.041 -5.599 -8.125 1.00 1.44 H new ATOM 0 HE22 GLN B 67 -13.676 -7.226 -8.709 1.00 1.44 H new ATOM 2641 N ASP B 68 -14.029 -5.404 -5.699 1.00 0.59 N ATOM 2642 CA ASP B 68 -13.363 -6.313 -4.793 1.00 0.62 C ATOM 2643 C ASP B 68 -12.180 -5.612 -4.148 1.00 0.59 C ATOM 2644 O ASP B 68 -11.234 -6.285 -3.742 1.00 0.65 O ATOM 2645 CB ASP B 68 -12.874 -7.549 -5.552 1.00 0.73 C ATOM 2646 CG ASP B 68 -14.006 -8.473 -5.951 1.00 0.97 C ATOM 2647 OD1 ASP B 68 -14.938 -8.654 -5.140 1.00 1.58 O ATOM 2648 OD2 ASP B 68 -13.956 -9.021 -7.072 1.00 1.50 O ATOM 0 H ASP B 68 -13.675 -5.448 -6.655 1.00 0.59 H new ATOM 0 HA ASP B 68 -14.068 -6.625 -4.022 1.00 0.62 H new ATOM 0 HB2 ASP B 68 -12.336 -7.233 -6.446 1.00 0.73 H new ATOM 0 HB3 ASP B 68 -12.165 -8.096 -4.930 1.00 0.73 H new ATOM 2653 N SER B 69 -12.225 -4.258 -4.050 1.00 0.56 N ATOM 2654 CA SER B 69 -11.112 -3.477 -3.479 1.00 0.58 C ATOM 2655 C SER B 69 -10.511 -4.240 -2.340 1.00 0.62 C ATOM 2656 O SER B 69 -9.294 -4.333 -2.190 1.00 0.74 O ATOM 2657 CB SER B 69 -11.595 -2.122 -2.955 1.00 0.66 C ATOM 2658 OG SER B 69 -12.552 -2.291 -1.923 1.00 1.74 O ATOM 0 H SER B 69 -13.017 -3.694 -4.358 1.00 0.56 H new ATOM 0 HA SER B 69 -10.377 -3.307 -4.266 1.00 0.58 H new ATOM 0 HB2 SER B 69 -10.747 -1.549 -2.580 1.00 0.66 H new ATOM 0 HB3 SER B 69 -12.032 -1.547 -3.771 1.00 0.66 H new ATOM 0 HG SER B 69 -12.610 -1.469 -1.392 1.00 1.74 H new ATOM 2664 N GLU B 70 -11.408 -4.832 -1.584 1.00 0.63 N ATOM 2665 CA GLU B 70 -11.032 -5.661 -0.479 1.00 0.76 C ATOM 2666 C GLU B 70 -11.682 -7.002 -0.621 1.00 0.77 C ATOM 2667 O GLU B 70 -12.681 -7.167 -1.321 1.00 0.81 O ATOM 2668 CB GLU B 70 -11.430 -5.092 0.865 1.00 0.84 C ATOM 2669 CG GLU B 70 -11.203 -6.103 1.974 1.00 1.33 C ATOM 2670 CD GLU B 70 -11.350 -5.530 3.336 1.00 2.19 C ATOM 2671 OE1 GLU B 70 -11.858 -4.404 3.438 1.00 2.73 O ATOM 2672 OE2 GLU B 70 -10.948 -6.208 4.305 1.00 2.87 O ATOM 0 H GLU B 70 -12.415 -4.748 -1.724 1.00 0.63 H new ATOM 0 HA GLU B 70 -9.944 -5.728 -0.504 1.00 0.76 H new ATOM 0 HB2 GLU B 70 -10.853 -4.190 1.067 1.00 0.84 H new ATOM 0 HB3 GLU B 70 -12.480 -4.800 0.844 1.00 0.84 H new ATOM 0 HG2 GLU B 70 -11.909 -6.925 1.856 1.00 1.33 H new ATOM 0 HG3 GLU B 70 -10.203 -6.525 1.872 1.00 1.33 H new ATOM 2679 N LEU B 71 -11.082 -7.960 0.018 1.00 0.79 N ATOM 2680 CA LEU B 71 -11.591 -9.267 -0.009 1.00 0.83 C ATOM 2681 C LEU B 71 -11.260 -10.058 1.228 1.00 0.81 C ATOM 2682 O LEU B 71 -10.452 -9.661 2.067 1.00 0.86 O ATOM 2683 CB LEU B 71 -11.112 -9.968 -1.229 1.00 0.99 C ATOM 2684 CG LEU B 71 -9.640 -9.771 -1.502 1.00 0.78 C ATOM 2685 CD1 LEU B 71 -9.362 -8.315 -1.916 1.00 1.89 C ATOM 2686 CD2 LEU B 71 -8.816 -10.171 -0.300 1.00 1.25 C ATOM 0 H LEU B 71 -10.230 -7.843 0.566 1.00 0.79 H new ATOM 0 HA LEU B 71 -12.678 -9.188 -0.033 1.00 0.83 H new ATOM 0 HB2 LEU B 71 -11.315 -11.034 -1.128 1.00 0.99 H new ATOM 0 HB3 LEU B 71 -11.683 -9.615 -2.088 1.00 0.99 H new ATOM 0 HG LEU B 71 -9.348 -10.416 -2.331 1.00 0.78 H new ATOM 0 HD11 LEU B 71 -8.297 -8.189 -2.109 1.00 1.89 H new ATOM 0 HD12 LEU B 71 -9.925 -8.080 -2.819 1.00 1.89 H new ATOM 0 HD13 LEU B 71 -9.667 -7.644 -1.113 1.00 1.89 H new ATOM 0 HD21 LEU B 71 -7.758 -10.021 -0.518 1.00 1.25 H new ATOM 0 HD22 LEU B 71 -9.100 -9.559 0.556 1.00 1.25 H new ATOM 0 HD23 LEU B 71 -8.994 -11.222 -0.070 1.00 1.25 H new ATOM 2698 N ARG B 72 -11.908 -11.181 1.307 1.00 0.77 N ATOM 2699 CA ARG B 72 -11.717 -12.132 2.358 1.00 0.80 C ATOM 2700 C ARG B 72 -10.916 -13.313 1.813 1.00 0.69 C ATOM 2701 O ARG B 72 -10.232 -14.012 2.557 1.00 0.76 O ATOM 2702 CB ARG B 72 -13.082 -12.605 2.799 1.00 0.91 C ATOM 2703 CG ARG B 72 -14.081 -11.477 2.990 1.00 1.00 C ATOM 2704 CD ARG B 72 -13.487 -10.323 3.781 1.00 1.06 C ATOM 2705 NE ARG B 72 -12.927 -10.764 5.055 1.00 1.30 N ATOM 2706 CZ ARG B 72 -12.052 -10.054 5.759 1.00 1.18 C ATOM 2707 NH1 ARG B 72 -11.633 -8.879 5.308 1.00 1.55 N ATOM 2708 NH2 ARG B 72 -11.594 -10.518 6.913 1.00 1.42 N ATOM 0 H ARG B 72 -12.605 -11.469 0.620 1.00 0.77 H new ATOM 0 HA ARG B 72 -11.179 -11.690 3.197 1.00 0.80 H new ATOM 0 HB2 ARG B 72 -13.472 -13.304 2.059 1.00 0.91 H new ATOM 0 HB3 ARG B 72 -12.983 -13.154 3.735 1.00 0.91 H new ATOM 0 HG2 ARG B 72 -14.413 -11.117 2.016 1.00 1.00 H new ATOM 0 HG3 ARG B 72 -14.962 -11.856 3.507 1.00 1.00 H new ATOM 0 HD2 ARG B 72 -12.708 -9.841 3.190 1.00 1.06 H new ATOM 0 HD3 ARG B 72 -14.258 -9.574 3.964 1.00 1.06 H new ATOM 0 HE ARG B 72 -13.224 -11.667 5.425 1.00 1.30 H new ATOM 0 HH11 ARG B 72 -11.983 -8.520 4.420 1.00 1.55 H new ATOM 0 HH12 ARG B 72 -10.961 -8.335 5.849 1.00 1.55 H new ATOM 0 HH21 ARG B 72 -11.913 -11.422 7.262 1.00 1.42 H new ATOM 0 HH22 ARG B 72 -10.922 -9.971 7.452 1.00 1.42 H new ATOM 2722 N PHE B 73 -11.012 -13.519 0.489 1.00 0.60 N ATOM 2723 CA PHE B 73 -10.329 -14.619 -0.173 1.00 0.57 C ATOM 2724 C PHE B 73 -9.015 -14.228 -0.875 1.00 0.52 C ATOM 2725 O PHE B 73 -8.076 -13.789 -0.230 1.00 0.63 O ATOM 2726 CB PHE B 73 -11.274 -15.370 -1.134 1.00 0.65 C ATOM 2727 CG PHE B 73 -12.098 -14.540 -2.092 1.00 0.59 C ATOM 2728 CD1 PHE B 73 -11.836 -13.199 -2.321 1.00 1.24 C ATOM 2729 CD2 PHE B 73 -13.157 -15.129 -2.765 1.00 1.36 C ATOM 2730 CE1 PHE B 73 -12.606 -12.470 -3.194 1.00 1.32 C ATOM 2731 CE2 PHE B 73 -13.930 -14.402 -3.644 1.00 1.44 C ATOM 2732 CZ PHE B 73 -13.655 -13.072 -3.861 1.00 0.87 C ATOM 0 H PHE B 73 -11.561 -12.930 -0.137 1.00 0.60 H new ATOM 0 HA PHE B 73 -10.034 -15.294 0.631 1.00 0.57 H new ATOM 0 HB2 PHE B 73 -10.674 -16.065 -1.721 1.00 0.65 H new ATOM 0 HB3 PHE B 73 -11.958 -15.969 -0.533 1.00 0.65 H new ATOM 0 HD1 PHE B 73 -11.016 -12.721 -1.806 1.00 1.24 H new ATOM 0 HD2 PHE B 73 -13.379 -16.173 -2.598 1.00 1.36 H new ATOM 0 HE1 PHE B 73 -12.391 -11.425 -3.359 1.00 1.32 H new ATOM 0 HE2 PHE B 73 -14.751 -14.876 -4.162 1.00 1.44 H new ATOM 0 HZ PHE B 73 -14.258 -12.500 -4.551 1.00 0.87 H new ATOM 2742 N SER B 74 -8.972 -14.320 -2.202 1.00 0.48 N ATOM 2743 CA SER B 74 -7.715 -14.099 -2.933 1.00 0.48 C ATOM 2744 C SER B 74 -7.747 -12.894 -3.836 1.00 0.42 C ATOM 2745 O SER B 74 -6.812 -12.657 -4.601 1.00 0.46 O ATOM 2746 CB SER B 74 -7.319 -15.317 -3.764 1.00 0.63 C ATOM 2747 OG SER B 74 -8.458 -15.997 -4.261 1.00 1.03 O ATOM 0 H SER B 74 -9.775 -14.542 -2.790 1.00 0.48 H new ATOM 0 HA SER B 74 -6.973 -13.921 -2.155 1.00 0.48 H new ATOM 0 HB2 SER B 74 -6.690 -15.002 -4.596 1.00 0.63 H new ATOM 0 HB3 SER B 74 -6.725 -15.997 -3.154 1.00 0.63 H new ATOM 0 HG SER B 74 -8.172 -16.771 -4.790 1.00 1.03 H new ATOM 2753 N GLU B 75 -8.809 -12.140 -3.759 1.00 0.43 N ATOM 2754 CA GLU B 75 -8.917 -10.934 -4.545 1.00 0.42 C ATOM 2755 C GLU B 75 -7.954 -9.872 -4.001 1.00 0.42 C ATOM 2756 O GLU B 75 -7.833 -8.799 -4.579 1.00 0.56 O ATOM 2757 CB GLU B 75 -10.354 -10.428 -4.434 1.00 0.44 C ATOM 2758 CG GLU B 75 -11.324 -11.009 -5.424 1.00 0.59 C ATOM 2759 CD GLU B 75 -11.065 -10.573 -6.850 1.00 0.93 C ATOM 2760 OE1 GLU B 75 -10.473 -9.491 -7.044 1.00 1.60 O ATOM 2761 OE2 GLU B 75 -11.456 -11.315 -7.776 1.00 1.41 O ATOM 0 H GLU B 75 -9.613 -12.336 -3.162 1.00 0.43 H new ATOM 0 HA GLU B 75 -8.662 -11.136 -5.585 1.00 0.42 H new ATOM 0 HB2 GLU B 75 -10.718 -10.639 -3.429 1.00 0.44 H new ATOM 0 HB3 GLU B 75 -10.349 -9.344 -4.550 1.00 0.44 H new ATOM 0 HG2 GLU B 75 -11.277 -12.097 -5.371 1.00 0.59 H new ATOM 0 HG3 GLU B 75 -12.336 -10.719 -5.142 1.00 0.59 H new ATOM 2768 N TYR B 76 -7.277 -10.187 -2.864 1.00 0.38 N ATOM 2769 CA TYR B 76 -6.398 -9.256 -2.161 1.00 0.38 C ATOM 2770 C TYR B 76 -5.612 -8.350 -3.092 1.00 0.39 C ATOM 2771 O TYR B 76 -5.246 -7.237 -2.715 1.00 0.42 O ATOM 2772 CB TYR B 76 -5.459 -10.000 -1.217 1.00 0.40 C ATOM 2773 CG TYR B 76 -5.847 -9.888 0.249 1.00 0.41 C ATOM 2774 CD1 TYR B 76 -6.412 -8.725 0.770 1.00 1.22 C ATOM 2775 CD2 TYR B 76 -5.704 -10.977 1.097 1.00 1.29 C ATOM 2776 CE1 TYR B 76 -6.810 -8.657 2.087 1.00 1.26 C ATOM 2777 CE2 TYR B 76 -6.107 -10.915 2.413 1.00 1.29 C ATOM 2778 CZ TYR B 76 -6.660 -9.754 2.905 1.00 0.48 C ATOM 2779 OH TYR B 76 -7.064 -9.689 4.219 1.00 0.54 O ATOM 0 H TYR B 76 -7.337 -11.103 -2.419 1.00 0.38 H new ATOM 0 HA TYR B 76 -7.051 -8.607 -1.577 1.00 0.38 H new ATOM 0 HB2 TYR B 76 -5.436 -11.053 -1.498 1.00 0.40 H new ATOM 0 HB3 TYR B 76 -4.448 -9.614 -1.346 1.00 0.40 H new ATOM 0 HD1 TYR B 76 -6.540 -7.864 0.131 1.00 1.22 H new ATOM 0 HD2 TYR B 76 -5.269 -11.890 0.718 1.00 1.29 H new ATOM 0 HE1 TYR B 76 -7.239 -7.746 2.477 1.00 1.26 H new ATOM 0 HE2 TYR B 76 -5.990 -11.774 3.057 1.00 1.29 H new ATOM 0 HH TYR B 76 -6.889 -10.548 4.658 1.00 0.54 H new ATOM 2789 N TRP B 77 -5.345 -8.815 -4.299 1.00 0.40 N ATOM 2790 CA TRP B 77 -4.645 -7.992 -5.274 1.00 0.43 C ATOM 2791 C TRP B 77 -5.400 -6.679 -5.492 1.00 0.45 C ATOM 2792 O TRP B 77 -4.866 -5.736 -6.058 1.00 0.50 O ATOM 2793 CB TRP B 77 -4.540 -8.728 -6.600 1.00 0.45 C ATOM 2794 CG TRP B 77 -5.879 -8.995 -7.199 1.00 0.45 C ATOM 2795 CD1 TRP B 77 -6.782 -8.067 -7.637 1.00 0.50 C ATOM 2796 CD2 TRP B 77 -6.486 -10.272 -7.396 1.00 0.46 C ATOM 2797 NE1 TRP B 77 -7.897 -8.694 -8.120 1.00 0.53 N ATOM 2798 CE2 TRP B 77 -7.743 -10.050 -7.982 1.00 0.51 C ATOM 2799 CE3 TRP B 77 -6.082 -11.582 -7.142 1.00 0.47 C ATOM 2800 CZ2 TRP B 77 -8.600 -11.095 -8.317 1.00 0.56 C ATOM 2801 CZ3 TRP B 77 -6.931 -12.616 -7.468 1.00 0.53 C ATOM 2802 CH2 TRP B 77 -8.179 -12.370 -8.053 1.00 0.56 C ATOM 0 H TRP B 77 -5.598 -9.747 -4.627 1.00 0.40 H new ATOM 0 HA TRP B 77 -3.646 -7.781 -4.893 1.00 0.43 H new ATOM 0 HB2 TRP B 77 -3.943 -8.138 -7.296 1.00 0.45 H new ATOM 0 HB3 TRP B 77 -4.015 -9.672 -6.450 1.00 0.45 H new ATOM 0 HD1 TRP B 77 -6.636 -6.997 -7.606 1.00 0.50 H new ATOM 0 HE1 TRP B 77 -8.712 -8.228 -8.519 1.00 0.53 H new ATOM 0 HE3 TRP B 77 -5.119 -11.783 -6.697 1.00 0.47 H new ATOM 0 HZ2 TRP B 77 -9.562 -10.906 -8.769 1.00 0.56 H new ATOM 0 HZ3 TRP B 77 -6.629 -13.634 -7.269 1.00 0.53 H new ATOM 0 HH2 TRP B 77 -8.821 -13.202 -8.301 1.00 0.56 H new ATOM 2813 N ARG B 78 -6.667 -6.645 -5.087 1.00 0.43 N ATOM 2814 CA ARG B 78 -7.478 -5.463 -5.224 1.00 0.47 C ATOM 2815 C ARG B 78 -6.999 -4.378 -4.260 1.00 0.49 C ATOM 2816 O ARG B 78 -6.898 -3.210 -4.635 1.00 0.62 O ATOM 2817 CB ARG B 78 -8.956 -5.820 -5.018 1.00 0.50 C ATOM 2818 CG ARG B 78 -9.562 -6.560 -6.194 1.00 0.61 C ATOM 2819 CD ARG B 78 -9.673 -5.668 -7.420 1.00 0.77 C ATOM 2820 NE ARG B 78 -10.164 -6.402 -8.582 1.00 1.49 N ATOM 2821 CZ ARG B 78 -10.309 -5.862 -9.787 1.00 1.76 C ATOM 2822 NH1 ARG B 78 -10.006 -4.587 -9.986 1.00 1.37 N ATOM 2823 NH2 ARG B 78 -10.755 -6.598 -10.795 1.00 2.83 N ATOM 0 H ARG B 78 -7.148 -7.436 -4.659 1.00 0.43 H new ATOM 0 HA ARG B 78 -7.376 -5.060 -6.232 1.00 0.47 H new ATOM 0 HB2 ARG B 78 -9.053 -6.433 -4.122 1.00 0.50 H new ATOM 0 HB3 ARG B 78 -9.523 -4.906 -4.842 1.00 0.50 H new ATOM 0 HG2 ARG B 78 -8.950 -7.431 -6.431 1.00 0.61 H new ATOM 0 HG3 ARG B 78 -10.551 -6.930 -5.922 1.00 0.61 H new ATOM 0 HD2 ARG B 78 -10.344 -4.837 -7.205 1.00 0.77 H new ATOM 0 HD3 ARG B 78 -8.697 -5.239 -7.647 1.00 0.77 H new ATOM 0 HE ARG B 78 -10.410 -7.385 -8.462 1.00 1.49 H new ATOM 0 HH11 ARG B 78 -9.661 -4.018 -9.213 1.00 1.37 H new ATOM 0 HH12 ARG B 78 -10.118 -4.175 -10.912 1.00 1.37 H new ATOM 0 HH21 ARG B 78 -10.987 -7.580 -10.646 1.00 2.83 H new ATOM 0 HH22 ARG B 78 -10.866 -6.182 -11.720 1.00 2.83 H new ATOM 2837 N LEU B 79 -6.702 -4.763 -3.017 1.00 0.42 N ATOM 2838 CA LEU B 79 -6.178 -3.808 -2.038 1.00 0.45 C ATOM 2839 C LEU B 79 -4.782 -3.357 -2.431 1.00 0.46 C ATOM 2840 O LEU B 79 -4.257 -2.383 -1.895 1.00 0.53 O ATOM 2841 CB LEU B 79 -6.129 -4.419 -0.641 1.00 0.53 C ATOM 2842 CG LEU B 79 -7.472 -4.910 -0.109 1.00 0.62 C ATOM 2843 CD1 LEU B 79 -7.272 -5.778 1.116 1.00 1.23 C ATOM 2844 CD2 LEU B 79 -8.375 -3.733 0.234 1.00 0.88 C ATOM 0 H LEU B 79 -6.813 -5.715 -2.668 1.00 0.42 H new ATOM 0 HA LEU B 79 -6.851 -2.951 -2.025 1.00 0.45 H new ATOM 0 HB2 LEU B 79 -5.430 -5.255 -0.650 1.00 0.53 H new ATOM 0 HB3 LEU B 79 -5.729 -3.677 0.051 1.00 0.53 H new ATOM 0 HG LEU B 79 -7.949 -5.504 -0.889 1.00 0.62 H new ATOM 0 HD11 LEU B 79 -8.240 -6.119 1.482 1.00 1.23 H new ATOM 0 HD12 LEU B 79 -6.658 -6.640 0.855 1.00 1.23 H new ATOM 0 HD13 LEU B 79 -6.773 -5.200 1.894 1.00 1.23 H new ATOM 0 HD21 LEU B 79 -9.328 -4.104 0.612 1.00 0.88 H new ATOM 0 HD22 LEU B 79 -7.897 -3.118 0.996 1.00 0.88 H new ATOM 0 HD23 LEU B 79 -8.547 -3.134 -0.660 1.00 0.88 H new ATOM 2856 N ILE B 80 -4.185 -4.068 -3.375 1.00 0.44 N ATOM 2857 CA ILE B 80 -2.853 -3.751 -3.839 1.00 0.48 C ATOM 2858 C ILE B 80 -2.749 -2.262 -4.202 1.00 0.48 C ATOM 2859 O ILE B 80 -1.853 -1.561 -3.733 1.00 0.51 O ATOM 2860 CB ILE B 80 -2.478 -4.684 -5.028 1.00 0.52 C ATOM 2861 CG1 ILE B 80 -0.997 -5.044 -4.971 1.00 0.59 C ATOM 2862 CG2 ILE B 80 -2.814 -4.067 -6.383 1.00 0.55 C ATOM 2863 CD1 ILE B 80 -0.610 -6.153 -5.923 1.00 1.16 C ATOM 0 H ILE B 80 -4.610 -4.873 -3.835 1.00 0.44 H new ATOM 0 HA ILE B 80 -2.132 -3.928 -3.041 1.00 0.48 H new ATOM 0 HB ILE B 80 -3.079 -5.588 -4.926 1.00 0.52 H new ATOM 0 HG12 ILE B 80 -0.406 -4.157 -5.199 1.00 0.59 H new ATOM 0 HG13 ILE B 80 -0.743 -5.343 -3.954 1.00 0.59 H new ATOM 0 HG21 ILE B 80 -2.533 -4.758 -7.177 1.00 0.55 H new ATOM 0 HG22 ILE B 80 -3.884 -3.868 -6.437 1.00 0.55 H new ATOM 0 HG23 ILE B 80 -2.265 -3.133 -6.504 1.00 0.55 H new ATOM 0 HD11 ILE B 80 0.457 -6.357 -5.829 1.00 1.16 H new ATOM 0 HD12 ILE B 80 -1.174 -7.054 -5.681 1.00 1.16 H new ATOM 0 HD13 ILE B 80 -0.833 -5.849 -6.946 1.00 1.16 H new ATOM 2875 N GLY B 81 -3.672 -1.793 -5.038 1.00 0.47 N ATOM 2876 CA GLY B 81 -3.683 -0.394 -5.430 1.00 0.49 C ATOM 2877 C GLY B 81 -4.371 0.500 -4.405 1.00 0.43 C ATOM 2878 O GLY B 81 -4.412 1.719 -4.569 1.00 0.43 O ATOM 0 H GLY B 81 -4.414 -2.358 -5.451 1.00 0.47 H new ATOM 0 HA2 GLY B 81 -2.658 -0.053 -5.573 1.00 0.49 H new ATOM 0 HA3 GLY B 81 -4.189 -0.294 -6.390 1.00 0.49 H new ATOM 2882 N GLU B 82 -4.911 -0.106 -3.346 1.00 0.42 N ATOM 2883 CA GLU B 82 -5.609 0.633 -2.302 1.00 0.39 C ATOM 2884 C GLU B 82 -4.629 1.253 -1.337 1.00 0.33 C ATOM 2885 O GLU B 82 -4.623 2.466 -1.127 1.00 0.34 O ATOM 2886 CB GLU B 82 -6.513 -0.299 -1.547 1.00 0.44 C ATOM 2887 CG GLU B 82 -7.686 -0.801 -2.372 1.00 0.46 C ATOM 2888 CD GLU B 82 -8.483 0.324 -3.003 1.00 0.72 C ATOM 2889 OE1 GLU B 82 -9.316 0.931 -2.297 1.00 1.39 O ATOM 2890 OE2 GLU B 82 -8.274 0.599 -4.204 1.00 1.48 O ATOM 0 H GLU B 82 -4.876 -1.114 -3.192 1.00 0.42 H new ATOM 0 HA GLU B 82 -6.191 1.425 -2.773 1.00 0.39 H new ATOM 0 HB2 GLU B 82 -5.932 -1.153 -1.197 1.00 0.44 H new ATOM 0 HB3 GLU B 82 -6.893 0.212 -0.662 1.00 0.44 H new ATOM 0 HG2 GLU B 82 -7.317 -1.463 -3.155 1.00 0.46 H new ATOM 0 HG3 GLU B 82 -8.344 -1.395 -1.737 1.00 0.46 H new ATOM 2897 N LEU B 83 -3.773 0.404 -0.770 1.00 0.34 N ATOM 2898 CA LEU B 83 -2.757 0.851 0.171 1.00 0.35 C ATOM 2899 C LEU B 83 -1.951 1.970 -0.451 1.00 0.34 C ATOM 2900 O LEU B 83 -1.203 2.660 0.230 1.00 0.41 O ATOM 2901 CB LEU B 83 -1.835 -0.308 0.565 1.00 0.43 C ATOM 2902 CG LEU B 83 -2.441 -1.346 1.512 1.00 0.50 C ATOM 2903 CD1 LEU B 83 -3.481 -2.188 0.793 1.00 1.27 C ATOM 2904 CD2 LEU B 83 -1.349 -2.232 2.094 1.00 1.31 C ATOM 0 H LEU B 83 -3.766 -0.600 -0.949 1.00 0.34 H new ATOM 0 HA LEU B 83 -3.248 1.216 1.073 1.00 0.35 H new ATOM 0 HB2 LEU B 83 -1.513 -0.817 -0.344 1.00 0.43 H new ATOM 0 HB3 LEU B 83 -0.942 0.106 1.033 1.00 0.43 H new ATOM 0 HG LEU B 83 -2.934 -0.819 2.329 1.00 0.50 H new ATOM 0 HD11 LEU B 83 -3.899 -2.919 1.485 1.00 1.27 H new ATOM 0 HD12 LEU B 83 -4.278 -1.543 0.422 1.00 1.27 H new ATOM 0 HD13 LEU B 83 -3.014 -2.706 -0.044 1.00 1.27 H new ATOM 0 HD21 LEU B 83 -1.795 -2.965 2.766 1.00 1.31 H new ATOM 0 HD22 LEU B 83 -0.830 -2.748 1.286 1.00 1.31 H new ATOM 0 HD23 LEU B 83 -0.639 -1.618 2.648 1.00 1.31 H new ATOM 2916 N ALA B 84 -2.048 2.103 -1.764 1.00 0.34 N ATOM 2917 CA ALA B 84 -1.368 3.191 -2.430 1.00 0.37 C ATOM 2918 C ALA B 84 -2.159 4.498 -2.311 1.00 0.41 C ATOM 2919 O ALA B 84 -1.582 5.575 -2.162 1.00 0.47 O ATOM 2920 CB ALA B 84 -1.136 2.860 -3.882 1.00 0.41 C ATOM 0 H ALA B 84 -2.580 1.483 -2.375 1.00 0.34 H new ATOM 0 HA ALA B 84 -0.405 3.329 -1.938 1.00 0.37 H new ATOM 0 HB1 ALA B 84 -0.623 3.691 -4.367 1.00 0.41 H new ATOM 0 HB2 ALA B 84 -0.523 1.962 -3.957 1.00 0.41 H new ATOM 0 HB3 ALA B 84 -2.094 2.688 -4.374 1.00 0.41 H new ATOM 2926 N LYS B 85 -3.488 4.387 -2.374 1.00 0.42 N ATOM 2927 CA LYS B 85 -4.384 5.549 -2.273 1.00 0.51 C ATOM 2928 C LYS B 85 -3.986 6.441 -1.122 1.00 0.50 C ATOM 2929 O LYS B 85 -4.301 7.625 -1.106 1.00 0.67 O ATOM 2930 CB LYS B 85 -5.833 5.087 -2.153 1.00 0.62 C ATOM 2931 CG LYS B 85 -6.183 4.014 -3.182 1.00 1.19 C ATOM 2932 CD LYS B 85 -7.665 3.664 -3.214 1.00 1.44 C ATOM 2933 CE LYS B 85 -8.292 3.642 -1.826 1.00 1.56 C ATOM 2934 NZ LYS B 85 -7.615 2.673 -0.924 1.00 2.69 N ATOM 0 H LYS B 85 -3.974 3.498 -2.495 1.00 0.42 H new ATOM 0 HA LYS B 85 -4.293 6.141 -3.184 1.00 0.51 H new ATOM 0 HB2 LYS B 85 -6.006 4.697 -1.150 1.00 0.62 H new ATOM 0 HB3 LYS B 85 -6.497 5.942 -2.282 1.00 0.62 H new ATOM 0 HG2 LYS B 85 -5.877 4.356 -4.171 1.00 1.19 H new ATOM 0 HG3 LYS B 85 -5.609 3.113 -2.965 1.00 1.19 H new ATOM 0 HD2 LYS B 85 -8.192 4.388 -3.835 1.00 1.44 H new ATOM 0 HD3 LYS B 85 -7.794 2.688 -3.682 1.00 1.44 H new ATOM 0 HE2 LYS B 85 -8.242 4.640 -1.390 1.00 1.56 H new ATOM 0 HE3 LYS B 85 -9.348 3.383 -1.909 1.00 1.56 H new ATOM 0 HZ1 LYS B 85 -7.666 3.017 0.056 1.00 2.69 H new ATOM 0 HZ2 LYS B 85 -8.086 1.748 -0.991 1.00 2.69 H new ATOM 0 HZ3 LYS B 85 -6.618 2.575 -1.205 1.00 2.69 H new ATOM 2948 N GLU B 86 -3.311 5.869 -0.154 1.00 0.44 N ATOM 2949 CA GLU B 86 -2.835 6.637 0.971 1.00 0.45 C ATOM 2950 C GLU B 86 -1.508 7.338 0.640 1.00 0.44 C ATOM 2951 O GLU B 86 -1.353 8.529 0.899 1.00 0.48 O ATOM 2952 CB GLU B 86 -2.693 5.750 2.208 1.00 0.48 C ATOM 2953 CG GLU B 86 -1.985 4.441 1.961 1.00 0.98 C ATOM 2954 CD GLU B 86 -1.595 3.739 3.246 1.00 2.07 C ATOM 2955 OE1 GLU B 86 -0.988 4.394 4.118 1.00 2.90 O ATOM 2956 OE2 GLU B 86 -1.895 2.535 3.379 1.00 2.60 O ATOM 0 H GLU B 86 -3.079 4.876 -0.123 1.00 0.44 H new ATOM 0 HA GLU B 86 -3.572 7.409 1.190 1.00 0.45 H new ATOM 0 HB2 GLU B 86 -2.151 6.303 2.975 1.00 0.48 H new ATOM 0 HB3 GLU B 86 -3.686 5.542 2.606 1.00 0.48 H new ATOM 0 HG2 GLU B 86 -2.631 3.787 1.376 1.00 0.98 H new ATOM 0 HG3 GLU B 86 -1.091 4.622 1.364 1.00 0.98 H new ATOM 2963 N VAL B 87 -0.556 6.595 0.058 1.00 0.44 N ATOM 2964 CA VAL B 87 0.763 7.148 -0.272 1.00 0.46 C ATOM 2965 C VAL B 87 0.801 7.909 -1.601 1.00 0.46 C ATOM 2966 O VAL B 87 1.854 8.416 -1.990 1.00 0.54 O ATOM 2967 CB VAL B 87 1.862 6.060 -0.264 1.00 0.55 C ATOM 2968 CG1 VAL B 87 3.233 6.706 -0.188 1.00 1.01 C ATOM 2969 CG2 VAL B 87 1.653 5.110 0.904 1.00 0.81 C ATOM 0 H VAL B 87 -0.675 5.613 -0.193 1.00 0.44 H new ATOM 0 HA VAL B 87 0.965 7.871 0.518 1.00 0.46 H new ATOM 0 HB VAL B 87 1.799 5.487 -1.189 1.00 0.55 H new ATOM 0 HG11 VAL B 87 4.000 5.932 -0.183 1.00 1.01 H new ATOM 0 HG12 VAL B 87 3.378 7.355 -1.052 1.00 1.01 H new ATOM 0 HG13 VAL B 87 3.307 7.296 0.725 1.00 1.01 H new ATOM 0 HG21 VAL B 87 2.433 4.349 0.898 1.00 0.81 H new ATOM 0 HG22 VAL B 87 1.697 5.668 1.839 1.00 0.81 H new ATOM 0 HG23 VAL B 87 0.678 4.631 0.813 1.00 0.81 H new ATOM 2979 N ARG B 88 -0.327 7.997 -2.297 1.00 0.49 N ATOM 2980 CA ARG B 88 -0.362 8.701 -3.582 1.00 0.51 C ATOM 2981 C ARG B 88 -0.495 10.215 -3.415 1.00 0.50 C ATOM 2982 O ARG B 88 0.295 10.977 -3.966 1.00 0.58 O ATOM 2983 CB ARG B 88 -1.495 8.168 -4.460 1.00 0.56 C ATOM 2984 CG ARG B 88 -1.405 8.630 -5.905 1.00 0.67 C ATOM 2985 CD ARG B 88 -2.516 8.035 -6.755 1.00 1.33 C ATOM 2986 NE ARG B 88 -3.830 8.556 -6.388 1.00 1.83 N ATOM 2987 CZ ARG B 88 -4.967 8.138 -6.940 1.00 2.72 C ATOM 2988 NH1 ARG B 88 -4.945 7.188 -7.864 1.00 3.25 N ATOM 2989 NH2 ARG B 88 -6.124 8.671 -6.571 1.00 3.50 N ATOM 0 H ARG B 88 -1.218 7.598 -2.003 1.00 0.49 H new ATOM 0 HA ARG B 88 0.593 8.509 -4.071 1.00 0.51 H new ATOM 0 HB2 ARG B 88 -1.484 7.078 -4.433 1.00 0.56 H new ATOM 0 HB3 ARG B 88 -2.450 8.488 -4.043 1.00 0.56 H new ATOM 0 HG2 ARG B 88 -1.460 9.718 -5.943 1.00 0.67 H new ATOM 0 HG3 ARG B 88 -0.438 8.345 -6.319 1.00 0.67 H new ATOM 0 HD2 ARG B 88 -2.322 8.250 -7.806 1.00 1.33 H new ATOM 0 HD3 ARG B 88 -2.514 6.950 -6.646 1.00 1.33 H new ATOM 0 HE ARG B 88 -3.879 9.279 -5.670 1.00 1.83 H new ATOM 0 HH11 ARG B 88 -4.057 6.777 -8.152 1.00 3.25 H new ATOM 0 HH12 ARG B 88 -5.816 6.868 -8.287 1.00 3.25 H new ATOM 0 HH21 ARG B 88 -6.145 9.404 -5.862 1.00 3.50 H new ATOM 0 HH22 ARG B 88 -6.993 8.348 -6.996 1.00 3.50 H new ATOM 3003 N LYS B 89 -1.503 10.643 -2.666 1.00 0.47 N ATOM 3004 CA LYS B 89 -1.748 12.066 -2.431 1.00 0.49 C ATOM 3005 C LYS B 89 -0.841 12.584 -1.346 1.00 0.48 C ATOM 3006 O LYS B 89 -0.368 13.721 -1.380 1.00 0.53 O ATOM 3007 CB LYS B 89 -3.187 12.290 -1.990 1.00 0.56 C ATOM 3008 CG LYS B 89 -3.665 11.298 -0.937 1.00 0.69 C ATOM 3009 CD LYS B 89 -4.762 10.404 -1.501 1.00 1.55 C ATOM 3010 CE LYS B 89 -4.384 9.743 -2.824 1.00 2.46 C ATOM 3011 NZ LYS B 89 -5.558 9.101 -3.480 1.00 3.29 N ATOM 0 H LYS B 89 -2.170 10.023 -2.207 1.00 0.47 H new ATOM 0 HA LYS B 89 -1.555 12.595 -3.364 1.00 0.49 H new ATOM 0 HB2 LYS B 89 -3.284 13.301 -1.595 1.00 0.56 H new ATOM 0 HB3 LYS B 89 -3.839 12.225 -2.861 1.00 0.56 H new ATOM 0 HG2 LYS B 89 -2.828 10.687 -0.599 1.00 0.69 H new ATOM 0 HG3 LYS B 89 -4.039 11.836 -0.066 1.00 0.69 H new ATOM 0 HD2 LYS B 89 -5.001 9.630 -0.772 1.00 1.55 H new ATOM 0 HD3 LYS B 89 -5.666 10.996 -1.644 1.00 1.55 H new ATOM 0 HE2 LYS B 89 -3.957 10.489 -3.494 1.00 2.46 H new ATOM 0 HE3 LYS B 89 -3.612 8.994 -2.648 1.00 2.46 H new ATOM 0 HZ1 LYS B 89 -5.233 8.509 -4.271 1.00 3.29 H new ATOM 0 HZ2 LYS B 89 -6.061 8.509 -2.789 1.00 3.29 H new ATOM 0 HZ3 LYS B 89 -6.200 9.836 -3.839 1.00 3.29 H new ATOM 3025 N GLU B 90 -0.609 11.720 -0.384 1.00 0.47 N ATOM 3026 CA GLU B 90 0.213 12.024 0.755 1.00 0.52 C ATOM 3027 C GLU B 90 1.649 12.314 0.342 1.00 0.56 C ATOM 3028 O GLU B 90 2.446 12.804 1.143 1.00 0.62 O ATOM 3029 CB GLU B 90 0.133 10.840 1.700 1.00 0.56 C ATOM 3030 CG GLU B 90 -1.216 10.740 2.381 1.00 0.62 C ATOM 3031 CD GLU B 90 -1.488 11.938 3.269 1.00 1.24 C ATOM 3032 OE1 GLU B 90 -1.116 11.890 4.461 1.00 1.93 O ATOM 3033 OE2 GLU B 90 -2.071 12.924 2.774 1.00 1.93 O ATOM 0 H GLU B 90 -0.993 10.775 -0.375 1.00 0.47 H new ATOM 0 HA GLU B 90 -0.146 12.926 1.251 1.00 0.52 H new ATOM 0 HB2 GLU B 90 0.327 9.922 1.146 1.00 0.56 H new ATOM 0 HB3 GLU B 90 0.914 10.927 2.456 1.00 0.56 H new ATOM 0 HG2 GLU B 90 -1.999 10.661 1.627 1.00 0.62 H new ATOM 0 HG3 GLU B 90 -1.255 9.829 2.978 1.00 0.62 H new ATOM 3040 N LYS B 91 1.980 12.014 -0.912 1.00 0.54 N ATOM 3041 CA LYS B 91 3.315 12.256 -1.412 1.00 0.61 C ATOM 3042 C LYS B 91 3.613 13.741 -1.482 1.00 0.63 C ATOM 3043 O LYS B 91 4.662 14.193 -1.022 1.00 0.70 O ATOM 3044 CB LYS B 91 3.495 11.620 -2.791 1.00 0.62 C ATOM 3045 CG LYS B 91 2.756 12.361 -3.896 1.00 0.61 C ATOM 3046 CD LYS B 91 2.747 11.571 -5.190 1.00 0.67 C ATOM 3047 CE LYS B 91 2.134 12.371 -6.327 1.00 0.70 C ATOM 3048 NZ LYS B 91 2.901 13.616 -6.606 1.00 1.38 N ATOM 0 H LYS B 91 1.339 11.605 -1.592 1.00 0.54 H new ATOM 0 HA LYS B 91 4.018 11.798 -0.716 1.00 0.61 H new ATOM 0 HB2 LYS B 91 4.557 11.587 -3.033 1.00 0.62 H new ATOM 0 HB3 LYS B 91 3.144 10.589 -2.757 1.00 0.62 H new ATOM 0 HG2 LYS B 91 1.731 12.556 -3.581 1.00 0.61 H new ATOM 0 HG3 LYS B 91 3.228 13.329 -4.064 1.00 0.61 H new ATOM 0 HD2 LYS B 91 3.767 11.288 -5.452 1.00 0.67 H new ATOM 0 HD3 LYS B 91 2.186 10.647 -5.050 1.00 0.67 H new ATOM 0 HE2 LYS B 91 2.100 11.756 -7.226 1.00 0.70 H new ATOM 0 HE3 LYS B 91 1.104 12.627 -6.077 1.00 0.70 H new ATOM 0 HZ1 LYS B 91 2.666 13.962 -7.558 1.00 1.38 H new ATOM 0 HZ2 LYS B 91 2.653 14.341 -5.903 1.00 1.38 H new ATOM 0 HZ3 LYS B 91 3.920 13.415 -6.552 1.00 1.38 H new ATOM 3062 N ALA B 92 2.703 14.500 -2.073 1.00 0.60 N ATOM 3063 CA ALA B 92 2.895 15.938 -2.177 1.00 0.65 C ATOM 3064 C ALA B 92 3.141 16.529 -0.800 1.00 0.63 C ATOM 3065 O ALA B 92 3.677 17.625 -0.669 1.00 0.69 O ATOM 3066 CB ALA B 92 1.709 16.592 -2.861 1.00 0.73 C ATOM 0 H ALA B 92 1.836 14.151 -2.482 1.00 0.60 H new ATOM 0 HA ALA B 92 3.773 16.135 -2.793 1.00 0.65 H new ATOM 0 HB1 ALA B 92 1.875 17.667 -2.928 1.00 0.73 H new ATOM 0 HB2 ALA B 92 1.594 16.180 -3.863 1.00 0.73 H new ATOM 0 HB3 ALA B 92 0.805 16.399 -2.284 1.00 0.73 H new ATOM 3072 N LEU B 93 2.707 15.813 0.230 1.00 0.62 N ATOM 3073 CA LEU B 93 2.954 16.241 1.589 1.00 0.65 C ATOM 3074 C LEU B 93 4.356 15.815 1.984 1.00 0.59 C ATOM 3075 O LEU B 93 5.039 16.492 2.752 1.00 0.63 O ATOM 3076 CB LEU B 93 1.954 15.637 2.561 1.00 0.74 C ATOM 3077 CG LEU B 93 2.155 16.092 4.004 1.00 0.81 C ATOM 3078 CD1 LEU B 93 0.841 16.554 4.614 1.00 1.03 C ATOM 3079 CD2 LEU B 93 2.771 14.978 4.837 1.00 0.95 C ATOM 0 H LEU B 93 2.186 14.940 0.145 1.00 0.62 H new ATOM 0 HA LEU B 93 2.848 17.325 1.633 1.00 0.65 H new ATOM 0 HB2 LEU B 93 0.945 15.901 2.243 1.00 0.74 H new ATOM 0 HB3 LEU B 93 2.028 14.550 2.518 1.00 0.74 H new ATOM 0 HG LEU B 93 2.843 16.938 4.000 1.00 0.81 H new ATOM 0 HD11 LEU B 93 1.010 16.873 5.642 1.00 1.03 H new ATOM 0 HD12 LEU B 93 0.445 17.388 4.035 1.00 1.03 H new ATOM 0 HD13 LEU B 93 0.125 15.732 4.602 1.00 1.03 H new ATOM 0 HD21 LEU B 93 2.906 15.322 5.862 1.00 0.95 H new ATOM 0 HD22 LEU B 93 2.111 14.111 4.830 1.00 0.95 H new ATOM 0 HD23 LEU B 93 3.738 14.702 4.417 1.00 0.95 H new ATOM 3091 N GLY B 94 4.773 14.667 1.443 1.00 0.53 N ATOM 3092 CA GLY B 94 6.097 14.137 1.719 1.00 0.51 C ATOM 3093 C GLY B 94 7.149 15.215 1.701 1.00 0.52 C ATOM 3094 O GLY B 94 8.109 15.173 2.468 1.00 0.57 O ATOM 0 H GLY B 94 4.210 14.094 0.815 1.00 0.53 H new ATOM 0 HA2 GLY B 94 6.096 13.647 2.693 1.00 0.51 H new ATOM 0 HA3 GLY B 94 6.345 13.376 0.979 1.00 0.51 H new ATOM 3098 N ILE B 95 6.959 16.198 0.831 1.00 0.53 N ATOM 3099 CA ILE B 95 7.895 17.302 0.723 1.00 0.57 C ATOM 3100 C ILE B 95 7.777 18.253 1.896 1.00 0.60 C ATOM 3101 O ILE B 95 7.543 19.449 1.717 1.00 0.67 O ATOM 3102 CB ILE B 95 7.701 18.092 -0.576 1.00 0.63 C ATOM 3103 CG1 ILE B 95 6.227 18.402 -0.816 1.00 1.32 C ATOM 3104 CG2 ILE B 95 8.271 17.308 -1.717 1.00 1.13 C ATOM 3105 CD1 ILE B 95 5.997 19.524 -1.804 1.00 1.68 C ATOM 0 H ILE B 95 6.166 16.251 0.192 1.00 0.53 H new ATOM 0 HA ILE B 95 8.889 16.854 0.721 1.00 0.57 H new ATOM 0 HB ILE B 95 8.224 19.045 -0.494 1.00 0.63 H new ATOM 0 HG12 ILE B 95 5.730 17.502 -1.178 1.00 1.32 H new ATOM 0 HG13 ILE B 95 5.760 18.664 0.134 1.00 1.32 H new ATOM 0 HG21 ILE B 95 8.136 17.865 -2.644 1.00 1.13 H new ATOM 0 HG22 ILE B 95 9.334 17.139 -1.547 1.00 1.13 H new ATOM 0 HG23 ILE B 95 7.758 16.349 -1.792 1.00 1.13 H new ATOM 0 HD11 ILE B 95 4.926 19.689 -1.925 1.00 1.68 H new ATOM 0 HD12 ILE B 95 6.465 20.436 -1.434 1.00 1.68 H new ATOM 0 HD13 ILE B 95 6.434 19.257 -2.766 1.00 1.68 H new ATOM 3117 N ARG B 96 7.939 17.724 3.100 1.00 0.64 N ATOM 3118 CA ARG B 96 7.882 18.550 4.283 1.00 0.74 C ATOM 3119 C ARG B 96 8.956 19.626 4.190 1.00 0.82 C ATOM 3120 O ARG B 96 8.882 20.654 4.861 1.00 0.93 O ATOM 3121 CB ARG B 96 8.057 17.697 5.535 1.00 0.84 C ATOM 3122 CG ARG B 96 6.778 16.994 5.947 1.00 1.65 C ATOM 3123 CD ARG B 96 5.842 17.952 6.664 1.00 2.45 C ATOM 3124 NE ARG B 96 4.526 17.366 6.908 1.00 2.91 N ATOM 3125 CZ ARG B 96 4.244 16.596 7.955 1.00 3.85 C ATOM 3126 NH1 ARG B 96 5.189 16.295 8.836 1.00 4.47 N ATOM 3127 NH2 ARG B 96 3.016 16.122 8.120 1.00 4.48 N ATOM 0 H ARG B 96 8.109 16.734 3.276 1.00 0.64 H new ATOM 0 HA ARG B 96 6.907 19.032 4.350 1.00 0.74 H new ATOM 0 HB2 ARG B 96 8.834 16.954 5.358 1.00 0.84 H new ATOM 0 HB3 ARG B 96 8.400 18.328 6.355 1.00 0.84 H new ATOM 0 HG2 ARG B 96 6.283 16.585 5.066 1.00 1.65 H new ATOM 0 HG3 ARG B 96 7.014 16.153 6.599 1.00 1.65 H new ATOM 0 HD2 ARG B 96 6.287 18.248 7.614 1.00 2.45 H new ATOM 0 HD3 ARG B 96 5.729 18.858 6.069 1.00 2.45 H new ATOM 0 HE ARG B 96 3.782 17.558 6.238 1.00 2.91 H new ATOM 0 HH11 ARG B 96 6.135 16.654 8.712 1.00 4.47 H new ATOM 0 HH12 ARG B 96 4.969 15.704 9.638 1.00 4.47 H new ATOM 0 HH21 ARG B 96 2.287 16.348 7.443 1.00 4.48 H new ATOM 0 HH22 ARG B 96 2.801 15.532 8.923 1.00 4.48 H new ATOM 3141 N LYS B 97 9.958 19.374 3.343 1.00 0.82 N ATOM 3142 CA LYS B 97 11.020 20.338 3.124 1.00 0.94 C ATOM 3143 C LYS B 97 10.633 21.246 1.968 1.00 0.93 C ATOM 3144 O LYS B 97 11.039 21.030 0.826 1.00 0.98 O ATOM 3145 CB LYS B 97 12.379 19.661 2.840 1.00 1.07 C ATOM 3146 CG LYS B 97 12.323 18.145 2.682 1.00 1.00 C ATOM 3147 CD LYS B 97 11.983 17.458 3.996 1.00 1.56 C ATOM 3148 CE LYS B 97 11.175 16.190 3.768 1.00 1.83 C ATOM 3149 NZ LYS B 97 11.171 15.309 4.969 1.00 2.90 N ATOM 0 H LYS B 97 10.049 18.513 2.804 1.00 0.82 H new ATOM 0 HA LYS B 97 11.143 20.920 4.037 1.00 0.94 H new ATOM 0 HB2 LYS B 97 12.799 20.091 1.931 1.00 1.07 H new ATOM 0 HB3 LYS B 97 13.065 19.902 3.652 1.00 1.07 H new ATOM 0 HG2 LYS B 97 11.578 17.884 1.931 1.00 1.00 H new ATOM 0 HG3 LYS B 97 13.284 17.781 2.318 1.00 1.00 H new ATOM 0 HD2 LYS B 97 12.902 17.214 4.529 1.00 1.56 H new ATOM 0 HD3 LYS B 97 11.418 18.142 4.630 1.00 1.56 H new ATOM 0 HE2 LYS B 97 10.150 16.455 3.509 1.00 1.83 H new ATOM 0 HE3 LYS B 97 11.588 15.645 2.919 1.00 1.83 H new ATOM 0 HZ1 LYS B 97 10.773 14.381 4.718 1.00 2.90 H new ATOM 0 HZ2 LYS B 97 12.145 15.187 5.313 1.00 2.90 H new ATOM 0 HZ3 LYS B 97 10.592 15.743 5.716 1.00 2.90 H new ATOM 3163 N LYS B 98 9.835 22.261 2.278 1.00 0.96 N ATOM 3164 CA LYS B 98 9.370 23.205 1.273 1.00 1.06 C ATOM 3165 C LYS B 98 10.098 24.539 1.405 1.00 1.21 C ATOM 3166 O LYS B 98 9.609 25.407 2.159 1.00 1.61 O ATOM 3167 CB LYS B 98 7.859 23.419 1.407 1.00 1.07 C ATOM 3168 CG LYS B 98 7.047 22.130 1.372 1.00 1.07 C ATOM 3169 CD LYS B 98 5.558 22.418 1.243 1.00 1.52 C ATOM 3170 CE LYS B 98 4.746 21.136 1.156 1.00 2.00 C ATOM 3171 NZ LYS B 98 4.925 20.281 2.362 1.00 2.73 N ATOM 3172 OXT LYS B 98 11.151 24.704 0.753 1.00 1.70 O ATOM 0 H LYS B 98 9.496 22.450 3.221 1.00 0.96 H new ATOM 0 HA LYS B 98 9.586 22.789 0.289 1.00 1.06 H new ATOM 0 HB2 LYS B 98 7.657 23.939 2.344 1.00 1.07 H new ATOM 0 HB3 LYS B 98 7.522 24.071 0.602 1.00 1.07 H new ATOM 0 HG2 LYS B 98 7.374 21.514 0.534 1.00 1.07 H new ATOM 0 HG3 LYS B 98 7.231 21.557 2.281 1.00 1.07 H new ATOM 0 HD2 LYS B 98 5.224 23.003 2.100 1.00 1.52 H new ATOM 0 HD3 LYS B 98 5.380 23.024 0.354 1.00 1.52 H new ATOM 0 HE2 LYS B 98 3.691 21.382 1.039 1.00 2.00 H new ATOM 0 HE3 LYS B 98 5.043 20.578 0.268 1.00 2.00 H new ATOM 0 HZ1 LYS B 98 4.200 19.535 2.370 1.00 2.73 H new ATOM 0 HZ2 LYS B 98 5.869 19.846 2.342 1.00 2.73 H new ATOM 0 HZ3 LYS B 98 4.831 20.864 3.218 1.00 2.73 H new TER 3186 LYS B 98