USER MOD reduce.3.24.130724 H: found=0, std=0, add=1051, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 1052 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 88 CYS SG : rot -144:sc= 1.31 USER MOD Set 1.2: A 137 TYR OH : rot -58:sc= 0.447 USER MOD Set 2.1: A 10 MET CE :methyl -175:sc= -1.11 (180deg=-1.17) USER MOD Set 2.2: A 73 THR OG1 : rot 180:sc= -0.445 USER MOD Set 3.1: A 31 MET CE :methyl -157:sc= -0.0505 (180deg=-0.148) USER MOD Set 3.2: A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.1: A 6 LYS NZ :NH3+ -160:sc= 1.11 (180deg=-0.446) USER MOD Set 4.2: A 50 TYR OH : rot -77:sc= 1.31 USER MOD Set 4.3: A 57 THR OG1 : rot 180:sc= 0.85 USER MOD Set 5.1: A 40 ASN : amide:sc= 0.00171 X(o=0.0017,f=0.41) USER MOD Set 5.2: A 43 THR OG1 : rot 180:sc= 0 USER MOD Set 6.1: A 5 GLN : amide:sc= 0.237 K(o=0.16,f=-5) USER MOD Set 6.2: A 35 THR OG1 : rot -130:sc= -0.0815 USER MOD Set 7.1: A 16 THR OG1 : rot 99:sc= 0.553 USER MOD Set 7.2: A 20 CYS SG : rot -136:sc= 1.84 USER MOD Set 7.3: A 69 TYR OH : rot -33:sc= 0.222 USER MOD Single : A 11 GLN : amide:sc= -0.173 K(o=-0.17,f=-2!) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 MET CE :methyl -165:sc=-0.00737 (180deg=-0.443) USER MOD Single : A 17 CYS SG : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -122:sc= 1.08 (180deg=-0.241!) USER MOD Single : A 38 ASN : amide:sc= 1.55 K(o=1.5,f=-0.17) USER MOD Single : A 45 THR OG1 : rot -125:sc= 1.26 USER MOD Single : A 47 ASN : amide:sc= 1.14 K(o=1.1,f=-1.1) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.126 USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=-0.0051) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 75 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0531) USER MOD Single : A 83 MET CE :methyl -170:sc= -1.09 (180deg=-1.13) USER MOD Single : A 90 ASN : amide:sc= -0.0353 K(o=-0.035,f=-0.79) USER MOD Single : A 94 LYS NZ :NH3+ 175:sc= 0.969 (180deg=0.94) USER MOD Single : A 97 ASN : amide:sc= -0.0751 K(o=-0.075,f=-3.3!) USER MOD Single : A 98 LYS NZ :NH3+ -160:sc= -0.0565 (180deg=-0.325) USER MOD Single : A 104 ASN : amide:sc= 1.06 K(o=1.1,f=-0.18) USER MOD Single : A 108 ASN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 113 THR OG1 : rot 160:sc= -1.06 USER MOD Single : A 115 THR OG1 : rot -37:sc= 1.25 USER MOD Single : A 118 TYR OH : rot 120:sc= 0 USER MOD Single : A 119 ASN : amide:sc= -0.136 K(o=-0.14,f=-10!) USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 126 SER OG : rot 180:sc=0.000649 USER MOD Single : A 129 LYS NZ :NH3+ -141:sc= -0.246 (180deg=-1.08) USER MOD Single : A 134 LYS NZ :NH3+ 151:sc= 1.25 (180deg=1.14) USER MOD Single : A 138 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0507) USER MOD Single : A 140 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 142 LYS NZ :NH3+ 176:sc= 1.17 (180deg=1.13) USER MOD ----------------------------------------------------------------- ATOM 65 N GLN A 5 0.307 -15.122 4.368 1.00 1.19 N ATOM 66 CA GLN A 5 -0.580 -14.332 3.541 1.00 1.10 C ATOM 67 C GLN A 5 -0.726 -12.943 4.147 1.00 1.18 C ATOM 68 O GLN A 5 -1.195 -12.795 5.274 1.00 1.83 O ATOM 69 CB GLN A 5 -1.947 -15.018 3.399 1.00 1.15 C ATOM 70 CG GLN A 5 -1.842 -16.464 2.898 1.00 1.16 C ATOM 71 CD GLN A 5 -0.996 -16.552 1.637 1.00 1.09 C ATOM 72 OE1 GLN A 5 -1.107 -15.705 0.758 1.00 2.30 O ATOM 73 NE2 GLN A 5 -0.105 -17.531 1.573 1.00 1.20 N ATOM 0 HA GLN A 5 -0.155 -14.241 2.541 1.00 1.10 H new ATOM 0 HB2 GLN A 5 -2.454 -15.009 4.364 1.00 1.15 H new ATOM 0 HB3 GLN A 5 -2.566 -14.444 2.709 1.00 1.15 H new ATOM 0 HG2 GLN A 5 -1.405 -17.090 3.676 1.00 1.16 H new ATOM 0 HG3 GLN A 5 -2.839 -16.855 2.697 1.00 1.16 H new ATOM 0 HE21 GLN A 5 -0.045 -18.216 2.326 1.00 1.20 H new ATOM 0 HE22 GLN A 5 0.521 -17.599 0.770 1.00 1.20 H new ATOM 82 N LYS A 6 -0.335 -11.919 3.392 1.00 0.71 N ATOM 83 CA LYS A 6 -0.514 -10.552 3.844 1.00 0.73 C ATOM 84 C LYS A 6 -1.947 -10.159 3.535 1.00 0.71 C ATOM 85 O LYS A 6 -2.538 -10.728 2.620 1.00 0.91 O ATOM 86 CB LYS A 6 0.445 -9.625 3.094 1.00 1.01 C ATOM 87 CG LYS A 6 -0.019 -9.447 1.638 1.00 1.35 C ATOM 88 CD LYS A 6 1.160 -9.190 0.716 1.00 1.59 C ATOM 89 CE LYS A 6 1.756 -7.803 0.924 1.00 1.14 C ATOM 90 NZ LYS A 6 0.770 -6.720 0.703 1.00 2.17 N ATOM 0 H LYS A 6 0.102 -12.013 2.475 1.00 0.71 H new ATOM 0 HA LYS A 6 -0.308 -10.470 4.911 1.00 0.73 H new ATOM 0 HB2 LYS A 6 0.489 -8.656 3.591 1.00 1.01 H new ATOM 0 HB3 LYS A 6 1.453 -10.039 3.114 1.00 1.01 H new ATOM 0 HG2 LYS A 6 -0.552 -10.340 1.311 1.00 1.35 H new ATOM 0 HG3 LYS A 6 -0.721 -8.616 1.576 1.00 1.35 H new ATOM 0 HD2 LYS A 6 1.927 -9.944 0.890 1.00 1.59 H new ATOM 0 HD3 LYS A 6 0.839 -9.295 -0.320 1.00 1.59 H new ATOM 0 HE2 LYS A 6 2.150 -7.729 1.938 1.00 1.14 H new ATOM 0 HE3 LYS A 6 2.597 -7.668 0.244 1.00 1.14 H new ATOM 0 HZ1 LYS A 6 1.270 -5.827 0.521 1.00 2.17 H new ATOM 0 HZ2 LYS A 6 0.173 -6.956 -0.115 1.00 2.17 H new ATOM 0 HZ3 LYS A 6 0.173 -6.616 1.548 1.00 2.17 H new ATOM 104 N GLU A 7 -2.441 -9.122 4.203 1.00 0.66 N ATOM 105 CA GLU A 7 -3.610 -8.391 3.760 1.00 0.66 C ATOM 106 C GLU A 7 -3.120 -7.029 3.270 1.00 0.69 C ATOM 107 O GLU A 7 -2.081 -6.546 3.730 1.00 1.04 O ATOM 108 CB GLU A 7 -4.606 -8.293 4.921 1.00 0.78 C ATOM 109 CG GLU A 7 -6.035 -8.020 4.424 1.00 3.00 C ATOM 110 CD GLU A 7 -6.538 -6.652 4.833 1.00 4.95 C ATOM 111 OE1 GLU A 7 -5.751 -5.700 4.658 1.00 5.73 O ATOM 112 OE2 GLU A 7 -7.708 -6.586 5.270 1.00 6.18 O ATOM 0 H GLU A 7 -2.036 -8.768 5.070 1.00 0.66 H new ATOM 0 HA GLU A 7 -4.136 -8.886 2.944 1.00 0.66 H new ATOM 0 HB2 GLU A 7 -4.591 -9.221 5.493 1.00 0.78 H new ATOM 0 HB3 GLU A 7 -4.298 -7.496 5.598 1.00 0.78 H new ATOM 0 HG2 GLU A 7 -6.061 -8.103 3.338 1.00 3.00 H new ATOM 0 HG3 GLU A 7 -6.706 -8.783 4.818 1.00 3.00 H new ATOM 119 N ILE A 8 -3.802 -6.453 2.283 1.00 0.56 N ATOM 120 CA ILE A 8 -3.662 -5.037 1.953 1.00 0.55 C ATOM 121 C ILE A 8 -5.067 -4.449 1.735 1.00 0.61 C ATOM 122 O ILE A 8 -5.695 -4.713 0.707 1.00 0.99 O ATOM 123 CB ILE A 8 -2.663 -4.844 0.783 1.00 0.59 C ATOM 124 CG1 ILE A 8 -2.544 -3.375 0.353 1.00 0.77 C ATOM 125 CG2 ILE A 8 -2.990 -5.759 -0.398 1.00 0.76 C ATOM 126 CD1 ILE A 8 -1.459 -3.144 -0.705 1.00 2.11 C ATOM 0 H ILE A 8 -4.465 -6.953 1.691 1.00 0.56 H new ATOM 0 HA ILE A 8 -3.217 -4.472 2.772 1.00 0.55 H new ATOM 0 HB ILE A 8 -1.682 -5.138 1.157 1.00 0.59 H new ATOM 0 HG12 ILE A 8 -3.504 -3.039 -0.040 1.00 0.77 H new ATOM 0 HG13 ILE A 8 -2.326 -2.763 1.228 1.00 0.77 H new ATOM 0 HG21 ILE A 8 -2.267 -5.594 -1.197 1.00 0.76 H new ATOM 0 HG22 ILE A 8 -2.943 -6.799 -0.076 1.00 0.76 H new ATOM 0 HG23 ILE A 8 -3.993 -5.537 -0.764 1.00 0.76 H new ATOM 0 HD11 ILE A 8 -1.425 -2.086 -0.967 1.00 2.11 H new ATOM 0 HD12 ILE A 8 -0.492 -3.451 -0.307 1.00 2.11 H new ATOM 0 HD13 ILE A 8 -1.688 -3.731 -1.595 1.00 2.11 H new ATOM 138 N ALA A 9 -5.566 -3.676 2.708 1.00 0.46 N ATOM 139 CA ALA A 9 -6.848 -2.992 2.648 1.00 0.45 C ATOM 140 C ALA A 9 -6.648 -1.611 2.036 1.00 0.44 C ATOM 141 O ALA A 9 -5.834 -0.838 2.532 1.00 0.56 O ATOM 142 CB ALA A 9 -7.438 -2.868 4.055 1.00 0.51 C ATOM 0 H ALA A 9 -5.067 -3.509 3.582 1.00 0.46 H new ATOM 0 HA ALA A 9 -7.541 -3.563 2.031 1.00 0.45 H new ATOM 0 HB1 ALA A 9 -8.398 -2.355 4.003 1.00 0.51 H new ATOM 0 HB2 ALA A 9 -7.580 -3.862 4.479 1.00 0.51 H new ATOM 0 HB3 ALA A 9 -6.756 -2.299 4.687 1.00 0.51 H new ATOM 148 N MET A 10 -7.348 -1.306 0.945 1.00 0.38 N ATOM 149 CA MET A 10 -7.255 -0.021 0.256 1.00 0.40 C ATOM 150 C MET A 10 -8.618 0.333 -0.348 1.00 0.40 C ATOM 151 O MET A 10 -9.453 -0.550 -0.516 1.00 0.46 O ATOM 152 CB MET A 10 -6.174 -0.103 -0.830 1.00 0.42 C ATOM 153 CG MET A 10 -4.763 -0.192 -0.224 1.00 0.55 C ATOM 154 SD MET A 10 -3.408 -0.071 -1.409 1.00 1.26 S ATOM 155 CE MET A 10 -3.468 1.701 -1.710 1.00 2.24 C ATOM 0 H MET A 10 -8.005 -1.954 0.509 1.00 0.38 H new ATOM 0 HA MET A 10 -6.977 0.763 0.960 1.00 0.40 H new ATOM 0 HB2 MET A 10 -6.355 -0.975 -1.459 1.00 0.42 H new ATOM 0 HB3 MET A 10 -6.238 0.774 -1.474 1.00 0.42 H new ATOM 0 HG2 MET A 10 -4.651 0.603 0.514 1.00 0.55 H new ATOM 0 HG3 MET A 10 -4.674 -1.138 0.310 1.00 0.55 H new ATOM 0 HE1 MET A 10 -2.755 1.962 -2.492 1.00 2.24 H new ATOM 0 HE2 MET A 10 -4.472 1.983 -2.026 1.00 2.24 H new ATOM 0 HE3 MET A 10 -3.213 2.234 -0.794 1.00 2.24 H new ATOM 165 N GLN A 11 -8.852 1.595 -0.724 1.00 0.41 N ATOM 166 CA GLN A 11 -10.045 1.987 -1.468 1.00 0.43 C ATOM 167 C GLN A 11 -9.762 1.932 -2.969 1.00 0.46 C ATOM 168 O GLN A 11 -8.664 2.277 -3.415 1.00 0.61 O ATOM 169 CB GLN A 11 -10.497 3.390 -1.059 1.00 0.59 C ATOM 170 CG GLN A 11 -11.195 3.401 0.302 1.00 0.94 C ATOM 171 CD GLN A 11 -11.747 4.781 0.634 1.00 1.17 C ATOM 172 OE1 GLN A 11 -11.585 5.733 -0.123 1.00 1.72 O ATOM 173 NE2 GLN A 11 -12.395 4.908 1.784 1.00 1.66 N ATOM 0 H GLN A 11 -8.219 2.368 -0.520 1.00 0.41 H new ATOM 0 HA GLN A 11 -10.850 1.290 -1.235 1.00 0.43 H new ATOM 0 HB2 GLN A 11 -9.632 4.053 -1.027 1.00 0.59 H new ATOM 0 HB3 GLN A 11 -11.174 3.786 -1.816 1.00 0.59 H new ATOM 0 HG2 GLN A 11 -12.007 2.674 0.302 1.00 0.94 H new ATOM 0 HG3 GLN A 11 -10.491 3.093 1.076 1.00 0.94 H new ATOM 0 HE21 GLN A 11 -12.515 4.099 2.394 1.00 1.66 H new ATOM 0 HE22 GLN A 11 -12.774 5.814 2.059 1.00 1.66 H new ATOM 182 N VAL A 12 -10.759 1.518 -3.757 1.00 0.45 N ATOM 183 CA VAL A 12 -10.678 1.407 -5.194 1.00 0.49 C ATOM 184 C VAL A 12 -12.005 1.896 -5.771 1.00 0.54 C ATOM 185 O VAL A 12 -13.059 1.612 -5.203 1.00 0.75 O ATOM 186 CB VAL A 12 -10.373 -0.056 -5.545 1.00 0.64 C ATOM 187 CG1 VAL A 12 -11.541 -1.014 -5.265 1.00 0.80 C ATOM 188 CG2 VAL A 12 -9.984 -0.142 -7.010 1.00 1.00 C ATOM 0 H VAL A 12 -11.670 1.245 -3.388 1.00 0.45 H new ATOM 0 HA VAL A 12 -9.882 2.017 -5.621 1.00 0.49 H new ATOM 0 HB VAL A 12 -9.554 -0.374 -4.899 1.00 0.64 H new ATOM 0 HG11 VAL A 12 -11.252 -2.029 -5.537 1.00 0.80 H new ATOM 0 HG12 VAL A 12 -11.793 -0.980 -4.205 1.00 0.80 H new ATOM 0 HG13 VAL A 12 -12.408 -0.713 -5.854 1.00 0.80 H new ATOM 0 HG21 VAL A 12 -9.765 -1.178 -7.268 1.00 1.00 H new ATOM 0 HG22 VAL A 12 -10.807 0.220 -7.627 1.00 1.00 H new ATOM 0 HG23 VAL A 12 -9.100 0.470 -7.188 1.00 1.00 H new ATOM 198 N SER A 13 -11.956 2.640 -6.875 1.00 0.48 N ATOM 199 CA SER A 13 -13.125 3.171 -7.555 1.00 0.59 C ATOM 200 C SER A 13 -13.444 2.354 -8.803 1.00 0.74 C ATOM 201 O SER A 13 -12.570 1.677 -9.343 1.00 0.91 O ATOM 202 CB SER A 13 -12.846 4.601 -7.994 1.00 0.64 C ATOM 203 OG SER A 13 -12.174 5.327 -6.983 1.00 0.75 O ATOM 0 H SER A 13 -11.078 2.894 -7.328 1.00 0.48 H new ATOM 0 HA SER A 13 -13.967 3.129 -6.864 1.00 0.59 H new ATOM 0 HB2 SER A 13 -12.243 4.594 -8.902 1.00 0.64 H new ATOM 0 HB3 SER A 13 -13.785 5.098 -8.239 1.00 0.64 H new ATOM 0 HG SER A 13 -12.006 6.241 -7.293 1.00 0.75 H new ATOM 209 N GLY A 14 -14.688 2.476 -9.275 1.00 0.90 N ATOM 210 CA GLY A 14 -15.253 1.673 -10.353 1.00 1.09 C ATOM 211 C GLY A 14 -16.293 0.697 -9.799 1.00 0.87 C ATOM 212 O GLY A 14 -17.057 0.098 -10.554 1.00 0.87 O ATOM 0 H GLY A 14 -15.347 3.159 -8.903 1.00 0.90 H new ATOM 0 HA2 GLY A 14 -15.714 2.323 -11.097 1.00 1.09 H new ATOM 0 HA3 GLY A 14 -14.460 1.122 -10.859 1.00 1.09 H new ATOM 216 N MET A 15 -16.325 0.532 -8.471 1.00 0.78 N ATOM 217 CA MET A 15 -17.283 -0.348 -7.816 1.00 0.69 C ATOM 218 C MET A 15 -18.722 0.122 -8.066 1.00 0.67 C ATOM 219 O MET A 15 -19.193 1.066 -7.441 1.00 0.89 O ATOM 220 CB MET A 15 -16.985 -0.447 -6.308 1.00 0.72 C ATOM 221 CG MET A 15 -16.466 -1.838 -5.940 1.00 1.25 C ATOM 222 SD MET A 15 -16.611 -2.282 -4.193 1.00 1.99 S ATOM 223 CE MET A 15 -15.425 -1.137 -3.462 1.00 2.71 C ATOM 0 H MET A 15 -15.689 1.005 -7.829 1.00 0.78 H new ATOM 0 HA MET A 15 -17.181 -1.344 -8.247 1.00 0.69 H new ATOM 0 HB2 MET A 15 -16.247 0.305 -6.030 1.00 0.72 H new ATOM 0 HB3 MET A 15 -17.890 -0.231 -5.740 1.00 0.72 H new ATOM 0 HG2 MET A 15 -17.006 -2.577 -6.531 1.00 1.25 H new ATOM 0 HG3 MET A 15 -15.417 -1.904 -6.228 1.00 1.25 H new ATOM 0 HE1 MET A 15 -15.195 -1.452 -2.444 1.00 2.71 H new ATOM 0 HE2 MET A 15 -14.511 -1.132 -4.055 1.00 2.71 H new ATOM 0 HE3 MET A 15 -15.851 -0.134 -3.444 1.00 2.71 H new ATOM 233 N THR A 16 -19.428 -0.579 -8.955 1.00 0.80 N ATOM 234 CA THR A 16 -20.862 -0.406 -9.164 1.00 0.91 C ATOM 235 C THR A 16 -21.676 -1.204 -8.130 1.00 0.96 C ATOM 236 O THR A 16 -22.886 -1.027 -8.032 1.00 1.09 O ATOM 237 CB THR A 16 -21.198 -0.765 -10.623 1.00 1.09 C ATOM 238 OG1 THR A 16 -20.312 -0.078 -11.488 1.00 1.15 O ATOM 239 CG2 THR A 16 -22.624 -0.381 -11.025 1.00 1.30 C ATOM 0 H THR A 16 -19.013 -1.291 -9.556 1.00 0.80 H new ATOM 0 HA THR A 16 -21.144 0.635 -9.005 1.00 0.91 H new ATOM 0 HB THR A 16 -21.100 -1.847 -10.706 1.00 1.09 H new ATOM 0 HG1 THR A 16 -19.586 -0.679 -11.757 1.00 1.15 H new ATOM 0 HG21 THR A 16 -22.797 -0.661 -12.064 1.00 1.30 H new ATOM 0 HG22 THR A 16 -23.335 -0.903 -10.385 1.00 1.30 H new ATOM 0 HG23 THR A 16 -22.757 0.695 -10.912 1.00 1.30 H new ATOM 247 N CYS A 17 -21.025 -2.088 -7.358 1.00 1.03 N ATOM 248 CA CYS A 17 -21.620 -2.780 -6.208 1.00 1.36 C ATOM 249 C CYS A 17 -22.645 -3.823 -6.657 1.00 1.35 C ATOM 250 O CYS A 17 -23.528 -4.217 -5.899 1.00 2.75 O ATOM 251 CB CYS A 17 -22.224 -1.811 -5.173 1.00 2.61 C ATOM 252 SG CYS A 17 -20.990 -0.645 -4.546 1.00 4.30 S ATOM 0 H CYS A 17 -20.051 -2.346 -7.520 1.00 1.03 H new ATOM 0 HA CYS A 17 -20.805 -3.299 -5.705 1.00 1.36 H new ATOM 0 HB2 CYS A 17 -23.047 -1.260 -5.628 1.00 2.61 H new ATOM 0 HB3 CYS A 17 -22.642 -2.380 -4.342 1.00 2.61 H new ATOM 0 HG CYS A 17 -21.545 0.151 -3.681 1.00 4.30 H new ATOM 258 N ALA A 18 -22.487 -4.305 -7.888 1.00 1.54 N ATOM 259 CA ALA A 18 -23.277 -5.359 -8.492 1.00 2.33 C ATOM 260 C ALA A 18 -22.309 -6.100 -9.402 1.00 2.02 C ATOM 261 O ALA A 18 -22.024 -5.624 -10.497 1.00 3.38 O ATOM 262 CB ALA A 18 -24.435 -4.736 -9.279 1.00 3.38 C ATOM 0 H ALA A 18 -21.767 -3.949 -8.517 1.00 1.54 H new ATOM 0 HA ALA A 18 -23.723 -6.037 -7.764 1.00 2.33 H new ATOM 0 HB1 ALA A 18 -25.032 -5.526 -9.735 1.00 3.38 H new ATOM 0 HB2 ALA A 18 -25.061 -4.152 -8.604 1.00 3.38 H new ATOM 0 HB3 ALA A 18 -24.037 -4.086 -10.058 1.00 3.38 H new ATOM 268 N ALA A 19 -21.682 -7.169 -8.900 1.00 1.21 N ATOM 269 CA ALA A 19 -20.698 -7.987 -9.616 1.00 1.36 C ATOM 270 C ALA A 19 -19.377 -7.276 -9.943 1.00 1.06 C ATOM 271 O ALA A 19 -18.380 -7.936 -10.214 1.00 1.01 O ATOM 272 CB ALA A 19 -21.305 -8.559 -10.896 1.00 1.99 C ATOM 0 H ALA A 19 -21.852 -7.500 -7.950 1.00 1.21 H new ATOM 0 HA ALA A 19 -20.441 -8.786 -8.921 1.00 1.36 H new ATOM 0 HB1 ALA A 19 -20.560 -9.163 -11.414 1.00 1.99 H new ATOM 0 HB2 ALA A 19 -22.165 -9.180 -10.645 1.00 1.99 H new ATOM 0 HB3 ALA A 19 -21.624 -7.743 -11.544 1.00 1.99 H new ATOM 278 N CYS A 20 -19.346 -5.944 -9.934 1.00 0.96 N ATOM 279 CA CYS A 20 -18.236 -5.131 -10.387 1.00 0.89 C ATOM 280 C CYS A 20 -17.015 -5.460 -9.542 1.00 0.60 C ATOM 281 O CYS A 20 -15.922 -5.666 -10.068 1.00 0.67 O ATOM 282 CB CYS A 20 -18.654 -3.653 -10.271 1.00 1.11 C ATOM 283 SG CYS A 20 -18.358 -2.763 -11.816 1.00 0.75 S ATOM 0 H CYS A 20 -20.130 -5.386 -9.595 1.00 0.96 H new ATOM 0 HA CYS A 20 -17.977 -5.331 -11.427 1.00 0.89 H new ATOM 0 HB2 CYS A 20 -19.710 -3.591 -10.010 1.00 1.11 H new ATOM 0 HB3 CYS A 20 -18.098 -3.178 -9.463 1.00 1.11 H new ATOM 0 HG CYS A 20 -17.825 -1.606 -11.555 1.00 0.75 H new ATOM 289 N ALA A 21 -17.216 -5.522 -8.226 1.00 0.51 N ATOM 290 CA ALA A 21 -16.197 -5.948 -7.285 1.00 0.48 C ATOM 291 C ALA A 21 -15.857 -7.423 -7.515 1.00 0.46 C ATOM 292 O ALA A 21 -14.693 -7.797 -7.638 1.00 0.45 O ATOM 293 CB ALA A 21 -16.707 -5.711 -5.867 1.00 0.74 C ATOM 0 H ALA A 21 -18.102 -5.274 -7.785 1.00 0.51 H new ATOM 0 HA ALA A 21 -15.284 -5.371 -7.432 1.00 0.48 H new ATOM 0 HB1 ALA A 21 -15.949 -6.028 -5.150 1.00 0.74 H new ATOM 0 HB2 ALA A 21 -16.917 -4.650 -5.728 1.00 0.74 H new ATOM 0 HB3 ALA A 21 -17.620 -6.285 -5.708 1.00 0.74 H new ATOM 299 N ALA A 22 -16.894 -8.259 -7.618 1.00 0.57 N ATOM 300 CA ALA A 22 -16.751 -9.700 -7.776 1.00 0.70 C ATOM 301 C ALA A 22 -15.922 -10.051 -9.007 1.00 0.64 C ATOM 302 O ALA A 22 -15.218 -11.054 -9.011 1.00 0.68 O ATOM 303 CB ALA A 22 -18.121 -10.375 -7.831 1.00 0.97 C ATOM 0 H ALA A 22 -17.865 -7.946 -7.593 1.00 0.57 H new ATOM 0 HA ALA A 22 -16.216 -10.077 -6.904 1.00 0.70 H new ATOM 0 HB1 ALA A 22 -17.992 -11.451 -7.949 1.00 0.97 H new ATOM 0 HB2 ALA A 22 -18.663 -10.174 -6.907 1.00 0.97 H new ATOM 0 HB3 ALA A 22 -18.686 -9.982 -8.676 1.00 0.97 H new ATOM 309 N ARG A 23 -15.986 -9.238 -10.061 1.00 0.63 N ATOM 310 CA ARG A 23 -15.165 -9.414 -11.238 1.00 0.70 C ATOM 311 C ARG A 23 -13.692 -9.328 -10.868 1.00 0.66 C ATOM 312 O ARG A 23 -12.897 -10.151 -11.317 1.00 0.75 O ATOM 313 CB ARG A 23 -15.531 -8.364 -12.297 1.00 0.74 C ATOM 314 CG ARG A 23 -16.310 -8.994 -13.450 1.00 0.84 C ATOM 315 CD ARG A 23 -15.469 -10.089 -14.126 1.00 0.91 C ATOM 316 NE ARG A 23 -15.636 -10.059 -15.589 1.00 1.09 N ATOM 317 CZ ARG A 23 -14.896 -10.757 -16.467 1.00 1.48 C ATOM 318 NH1 ARG A 23 -13.969 -11.612 -16.021 1.00 2.26 N ATOM 319 NH2 ARG A 23 -15.088 -10.597 -17.782 1.00 1.55 N ATOM 0 H ARG A 23 -16.615 -8.437 -10.113 1.00 0.63 H new ATOM 0 HA ARG A 23 -15.351 -10.402 -11.659 1.00 0.70 H new ATOM 0 HB2 ARG A 23 -16.127 -7.574 -11.840 1.00 0.74 H new ATOM 0 HB3 ARG A 23 -14.623 -7.897 -12.680 1.00 0.74 H new ATOM 0 HG2 ARG A 23 -17.242 -9.419 -13.079 1.00 0.84 H new ATOM 0 HG3 ARG A 23 -16.577 -8.229 -14.179 1.00 0.84 H new ATOM 0 HD2 ARG A 23 -14.417 -9.952 -13.874 1.00 0.91 H new ATOM 0 HD3 ARG A 23 -15.763 -11.066 -13.743 1.00 0.91 H new ATOM 0 HE ARG A 23 -16.372 -9.461 -15.966 1.00 1.09 H new ATOM 0 HH11 ARG A 23 -13.826 -11.732 -15.018 1.00 2.26 H new ATOM 0 HH12 ARG A 23 -13.405 -12.144 -16.684 1.00 2.26 H new ATOM 0 HH21 ARG A 23 -15.796 -9.945 -18.118 1.00 1.55 H new ATOM 0 HH22 ARG A 23 -14.526 -11.127 -18.448 1.00 1.55 H new ATOM 333 N ILE A 24 -13.331 -8.336 -10.055 1.00 0.59 N ATOM 334 CA ILE A 24 -11.978 -8.199 -9.563 1.00 0.64 C ATOM 335 C ILE A 24 -11.677 -9.392 -8.671 1.00 0.59 C ATOM 336 O ILE A 24 -10.702 -10.084 -8.925 1.00 0.69 O ATOM 337 CB ILE A 24 -11.822 -6.840 -8.872 1.00 0.62 C ATOM 338 CG1 ILE A 24 -12.000 -5.751 -9.939 1.00 0.85 C ATOM 339 CG2 ILE A 24 -10.483 -6.657 -8.169 1.00 0.64 C ATOM 340 CD1 ILE A 24 -12.809 -4.575 -9.427 1.00 0.90 C ATOM 0 H ILE A 24 -13.971 -7.613 -9.726 1.00 0.59 H new ATOM 0 HA ILE A 24 -11.244 -8.207 -10.369 1.00 0.64 H new ATOM 0 HB ILE A 24 -12.578 -6.775 -8.089 1.00 0.62 H new ATOM 0 HG12 ILE A 24 -11.021 -5.401 -10.266 1.00 0.85 H new ATOM 0 HG13 ILE A 24 -12.494 -6.177 -10.812 1.00 0.85 H new ATOM 0 HG21 ILE A 24 -10.448 -5.672 -7.704 1.00 0.64 H new ATOM 0 HG22 ILE A 24 -10.366 -7.424 -7.403 1.00 0.64 H new ATOM 0 HG23 ILE A 24 -9.675 -6.744 -8.896 1.00 0.64 H new ATOM 0 HD11 ILE A 24 -12.908 -3.830 -10.217 1.00 0.90 H new ATOM 0 HD12 ILE A 24 -13.799 -4.918 -9.125 1.00 0.90 H new ATOM 0 HD13 ILE A 24 -12.302 -4.130 -8.571 1.00 0.90 H new ATOM 352 N GLU A 25 -12.512 -9.686 -7.673 1.00 0.52 N ATOM 353 CA GLU A 25 -12.241 -10.801 -6.775 1.00 0.58 C ATOM 354 C GLU A 25 -11.974 -12.085 -7.570 1.00 0.64 C ATOM 355 O GLU A 25 -10.958 -12.744 -7.366 1.00 0.65 O ATOM 356 CB GLU A 25 -13.379 -10.979 -5.768 1.00 0.70 C ATOM 357 CG GLU A 25 -13.530 -9.749 -4.859 1.00 0.68 C ATOM 358 CD GLU A 25 -14.714 -9.899 -3.916 1.00 2.30 C ATOM 359 OE1 GLU A 25 -15.804 -10.229 -4.432 1.00 3.56 O ATOM 360 OE2 GLU A 25 -14.518 -9.654 -2.708 1.00 3.35 O ATOM 0 H GLU A 25 -13.370 -9.173 -7.470 1.00 0.52 H new ATOM 0 HA GLU A 25 -11.339 -10.576 -6.206 1.00 0.58 H new ATOM 0 HB2 GLU A 25 -14.313 -11.154 -6.302 1.00 0.70 H new ATOM 0 HB3 GLU A 25 -13.190 -11.862 -5.157 1.00 0.70 H new ATOM 0 HG2 GLU A 25 -12.617 -9.608 -4.280 1.00 0.68 H new ATOM 0 HG3 GLU A 25 -13.661 -8.856 -5.471 1.00 0.68 H new ATOM 367 N LYS A 26 -12.856 -12.413 -8.518 1.00 0.72 N ATOM 368 CA LYS A 26 -12.738 -13.593 -9.355 1.00 0.84 C ATOM 369 C LYS A 26 -11.488 -13.523 -10.242 1.00 0.88 C ATOM 370 O LYS A 26 -10.738 -14.493 -10.353 1.00 0.97 O ATOM 371 CB LYS A 26 -14.021 -13.814 -10.174 1.00 0.95 C ATOM 372 CG LYS A 26 -14.178 -15.320 -10.423 1.00 1.38 C ATOM 373 CD LYS A 26 -14.937 -15.685 -11.705 1.00 1.31 C ATOM 374 CE LYS A 26 -16.362 -15.113 -11.730 1.00 1.51 C ATOM 375 NZ LYS A 26 -17.175 -15.702 -12.818 1.00 2.01 N ATOM 0 H LYS A 26 -13.683 -11.852 -8.723 1.00 0.72 H new ATOM 0 HA LYS A 26 -12.616 -14.461 -8.707 1.00 0.84 H new ATOM 0 HB2 LYS A 26 -14.886 -13.425 -9.637 1.00 0.95 H new ATOM 0 HB3 LYS A 26 -13.965 -13.276 -11.120 1.00 0.95 H new ATOM 0 HG2 LYS A 26 -13.187 -15.772 -10.463 1.00 1.38 H new ATOM 0 HG3 LYS A 26 -14.696 -15.762 -9.572 1.00 1.38 H new ATOM 0 HD2 LYS A 26 -14.385 -15.313 -12.568 1.00 1.31 H new ATOM 0 HD3 LYS A 26 -14.983 -16.770 -11.799 1.00 1.31 H new ATOM 0 HE2 LYS A 26 -16.846 -15.303 -10.772 1.00 1.51 H new ATOM 0 HE3 LYS A 26 -16.317 -14.031 -11.856 1.00 1.51 H new ATOM 0 HZ1 LYS A 26 -18.130 -15.290 -12.800 1.00 2.01 H new ATOM 0 HZ2 LYS A 26 -16.727 -15.500 -13.735 1.00 2.01 H new ATOM 0 HZ3 LYS A 26 -17.240 -16.731 -12.684 1.00 2.01 H new ATOM 389 N GLY A 27 -11.272 -12.382 -10.900 1.00 0.85 N ATOM 390 CA GLY A 27 -10.136 -12.165 -11.781 1.00 0.95 C ATOM 391 C GLY A 27 -8.809 -12.289 -11.031 1.00 0.87 C ATOM 392 O GLY A 27 -7.826 -12.787 -11.574 1.00 0.89 O ATOM 0 H GLY A 27 -11.893 -11.576 -10.831 1.00 0.85 H new ATOM 0 HA2 GLY A 27 -10.163 -12.889 -12.595 1.00 0.95 H new ATOM 0 HA3 GLY A 27 -10.209 -11.175 -12.232 1.00 0.95 H new ATOM 396 N LEU A 28 -8.769 -11.806 -9.792 1.00 0.78 N ATOM 397 CA LEU A 28 -7.621 -11.925 -8.913 1.00 0.76 C ATOM 398 C LEU A 28 -7.492 -13.366 -8.412 1.00 0.77 C ATOM 399 O LEU A 28 -6.383 -13.884 -8.401 1.00 0.82 O ATOM 400 CB LEU A 28 -7.661 -10.853 -7.803 1.00 0.66 C ATOM 401 CG LEU A 28 -7.107 -9.469 -8.230 1.00 0.81 C ATOM 402 CD1 LEU A 28 -5.592 -9.509 -8.462 1.00 1.75 C ATOM 403 CD2 LEU A 28 -7.801 -8.867 -9.451 1.00 1.72 C ATOM 0 H LEU A 28 -9.553 -11.311 -9.367 1.00 0.78 H new ATOM 0 HA LEU A 28 -6.704 -11.719 -9.464 1.00 0.76 H new ATOM 0 HB2 LEU A 28 -8.691 -10.731 -7.469 1.00 0.66 H new ATOM 0 HB3 LEU A 28 -7.089 -11.212 -6.947 1.00 0.66 H new ATOM 0 HG LEU A 28 -7.328 -8.814 -7.387 1.00 0.81 H new ATOM 0 HD11 LEU A 28 -5.243 -8.520 -8.760 1.00 1.75 H new ATOM 0 HD12 LEU A 28 -5.091 -9.809 -7.542 1.00 1.75 H new ATOM 0 HD13 LEU A 28 -5.363 -10.227 -9.250 1.00 1.75 H new ATOM 0 HD21 LEU A 28 -7.355 -7.900 -9.683 1.00 1.72 H new ATOM 0 HD22 LEU A 28 -7.682 -9.536 -10.303 1.00 1.72 H new ATOM 0 HD23 LEU A 28 -8.862 -8.735 -9.238 1.00 1.72 H new ATOM 415 N LYS A 29 -8.595 -14.050 -8.074 1.00 0.76 N ATOM 416 CA LYS A 29 -8.591 -15.475 -7.711 1.00 0.83 C ATOM 417 C LYS A 29 -7.878 -16.341 -8.767 1.00 0.92 C ATOM 418 O LYS A 29 -7.421 -17.435 -8.456 1.00 0.95 O ATOM 419 CB LYS A 29 -10.026 -15.998 -7.469 1.00 0.88 C ATOM 420 CG LYS A 29 -10.315 -16.524 -6.051 1.00 1.06 C ATOM 421 CD LYS A 29 -10.696 -15.410 -5.057 1.00 1.06 C ATOM 422 CE LYS A 29 -11.849 -15.821 -4.123 1.00 1.32 C ATOM 423 NZ LYS A 29 -11.430 -16.670 -2.985 1.00 2.14 N ATOM 0 H LYS A 29 -9.522 -13.626 -8.045 1.00 0.76 H new ATOM 0 HA LYS A 29 -8.030 -15.557 -6.780 1.00 0.83 H new ATOM 0 HB2 LYS A 29 -10.728 -15.193 -7.688 1.00 0.88 H new ATOM 0 HB3 LYS A 29 -10.226 -16.798 -8.181 1.00 0.88 H new ATOM 0 HG2 LYS A 29 -11.125 -17.252 -6.098 1.00 1.06 H new ATOM 0 HG3 LYS A 29 -9.435 -17.049 -5.679 1.00 1.06 H new ATOM 0 HD2 LYS A 29 -9.824 -15.148 -4.458 1.00 1.06 H new ATOM 0 HD3 LYS A 29 -10.983 -14.516 -5.611 1.00 1.06 H new ATOM 0 HE2 LYS A 29 -12.327 -14.921 -3.735 1.00 1.32 H new ATOM 0 HE3 LYS A 29 -12.600 -16.355 -4.704 1.00 1.32 H new ATOM 0 HZ1 LYS A 29 -11.953 -17.568 -3.011 1.00 2.14 H new ATOM 0 HZ2 LYS A 29 -10.410 -16.861 -3.052 1.00 2.14 H new ATOM 0 HZ3 LYS A 29 -11.632 -16.178 -2.092 1.00 2.14 H new ATOM 437 N ARG A 30 -7.803 -15.877 -10.021 1.00 0.99 N ATOM 438 CA ARG A 30 -7.044 -16.545 -11.075 1.00 1.10 C ATOM 439 C ARG A 30 -5.549 -16.662 -10.730 1.00 1.07 C ATOM 440 O ARG A 30 -4.891 -17.605 -11.164 1.00 1.21 O ATOM 441 CB ARG A 30 -7.218 -15.783 -12.403 1.00 1.18 C ATOM 442 CG ARG A 30 -7.511 -16.706 -13.593 1.00 1.53 C ATOM 443 CD ARG A 30 -9.000 -17.077 -13.631 1.00 2.25 C ATOM 444 NE ARG A 30 -9.314 -17.923 -14.794 1.00 2.81 N ATOM 445 CZ ARG A 30 -10.551 -18.314 -15.141 1.00 3.75 C ATOM 446 NH1 ARG A 30 -11.595 -17.945 -14.389 1.00 4.59 N ATOM 447 NH2 ARG A 30 -10.744 -19.062 -16.233 1.00 4.22 N ATOM 0 H ARG A 30 -8.270 -15.024 -10.330 1.00 0.99 H new ATOM 0 HA ARG A 30 -7.436 -17.557 -11.172 1.00 1.10 H new ATOM 0 HB2 ARG A 30 -8.031 -15.065 -12.299 1.00 1.18 H new ATOM 0 HB3 ARG A 30 -6.313 -15.212 -12.608 1.00 1.18 H new ATOM 0 HG2 ARG A 30 -7.229 -16.211 -14.523 1.00 1.53 H new ATOM 0 HG3 ARG A 30 -6.907 -17.610 -13.517 1.00 1.53 H new ATOM 0 HD2 ARG A 30 -9.269 -17.602 -12.714 1.00 2.25 H new ATOM 0 HD3 ARG A 30 -9.602 -16.169 -13.667 1.00 2.25 H new ATOM 0 HE ARG A 30 -8.537 -18.234 -15.377 1.00 2.81 H new ATOM 0 HH11 ARG A 30 -11.448 -17.371 -13.559 1.00 4.59 H new ATOM 0 HH12 ARG A 30 -12.538 -18.238 -14.646 1.00 4.59 H new ATOM 0 HH21 ARG A 30 -9.949 -19.339 -16.808 1.00 4.22 H new ATOM 0 HH22 ARG A 30 -11.686 -19.355 -16.490 1.00 4.22 H new ATOM 461 N MET A 31 -4.991 -15.669 -10.030 1.00 0.92 N ATOM 462 CA MET A 31 -3.577 -15.615 -9.680 1.00 0.87 C ATOM 463 C MET A 31 -3.267 -16.649 -8.589 1.00 0.80 C ATOM 464 O MET A 31 -4.127 -16.920 -7.754 1.00 0.83 O ATOM 465 CB MET A 31 -3.234 -14.211 -9.164 1.00 0.84 C ATOM 466 CG MET A 31 -3.454 -13.101 -10.200 1.00 1.01 C ATOM 467 SD MET A 31 -2.185 -12.990 -11.490 1.00 1.76 S ATOM 468 CE MET A 31 -1.624 -11.286 -11.267 1.00 1.58 C ATOM 0 H MET A 31 -5.523 -14.869 -9.687 1.00 0.92 H new ATOM 0 HA MET A 31 -2.980 -15.839 -10.564 1.00 0.87 H new ATOM 0 HB2 MET A 31 -3.841 -13.999 -8.284 1.00 0.84 H new ATOM 0 HB3 MET A 31 -2.192 -14.196 -8.844 1.00 0.84 H new ATOM 0 HG2 MET A 31 -4.422 -13.257 -10.677 1.00 1.01 H new ATOM 0 HG3 MET A 31 -3.505 -12.145 -9.680 1.00 1.01 H new ATOM 0 HE1 MET A 31 -1.170 -10.928 -12.191 1.00 1.58 H new ATOM 0 HE2 MET A 31 -2.474 -10.654 -11.012 1.00 1.58 H new ATOM 0 HE3 MET A 31 -0.889 -11.247 -10.463 1.00 1.58 H new ATOM 478 N PRO A 32 -2.043 -17.199 -8.553 1.00 0.78 N ATOM 479 CA PRO A 32 -1.651 -18.186 -7.560 1.00 0.74 C ATOM 480 C PRO A 32 -1.567 -17.575 -6.158 1.00 0.77 C ATOM 481 O PRO A 32 -2.134 -18.122 -5.217 1.00 1.33 O ATOM 482 CB PRO A 32 -0.304 -18.736 -8.039 1.00 0.84 C ATOM 483 CG PRO A 32 0.279 -17.602 -8.882 1.00 0.90 C ATOM 484 CD PRO A 32 -0.962 -16.956 -9.497 1.00 0.89 C ATOM 0 HA PRO A 32 -2.389 -18.984 -7.471 1.00 0.74 H new ATOM 0 HB2 PRO A 32 0.346 -18.985 -7.201 1.00 0.84 H new ATOM 0 HB3 PRO A 32 -0.430 -19.646 -8.626 1.00 0.84 H new ATOM 0 HG2 PRO A 32 0.842 -16.895 -8.273 1.00 0.90 H new ATOM 0 HG3 PRO A 32 0.960 -17.977 -9.647 1.00 0.90 H new ATOM 0 HD2 PRO A 32 -0.811 -15.888 -9.652 1.00 0.89 H new ATOM 0 HD3 PRO A 32 -1.188 -17.391 -10.471 1.00 0.89 H new ATOM 492 N GLY A 33 -0.888 -16.431 -6.012 1.00 0.58 N ATOM 493 CA GLY A 33 -0.603 -15.866 -4.705 1.00 0.56 C ATOM 494 C GLY A 33 -1.876 -15.384 -4.034 1.00 0.54 C ATOM 495 O GLY A 33 -1.943 -15.362 -2.808 1.00 0.59 O ATOM 0 H GLY A 33 -0.528 -15.882 -6.793 1.00 0.58 H new ATOM 0 HA2 GLY A 33 -0.118 -16.615 -4.079 1.00 0.56 H new ATOM 0 HA3 GLY A 33 0.096 -15.036 -4.808 1.00 0.56 H new ATOM 499 N VAL A 34 -2.863 -14.952 -4.830 1.00 0.54 N ATOM 500 CA VAL A 34 -4.163 -14.528 -4.340 1.00 0.58 C ATOM 501 C VAL A 34 -4.802 -15.645 -3.528 1.00 0.64 C ATOM 502 O VAL A 34 -5.325 -16.607 -4.081 1.00 0.85 O ATOM 503 CB VAL A 34 -5.045 -14.005 -5.480 1.00 0.62 C ATOM 504 CG1 VAL A 34 -6.474 -13.752 -4.979 1.00 1.37 C ATOM 505 CG2 VAL A 34 -4.463 -12.680 -5.995 1.00 1.25 C ATOM 0 H VAL A 34 -2.771 -14.890 -5.844 1.00 0.54 H new ATOM 0 HA VAL A 34 -4.039 -13.682 -3.664 1.00 0.58 H new ATOM 0 HB VAL A 34 -5.070 -14.749 -6.276 1.00 0.62 H new ATOM 0 HG11 VAL A 34 -7.087 -13.381 -5.800 1.00 1.37 H new ATOM 0 HG12 VAL A 34 -6.897 -14.683 -4.602 1.00 1.37 H new ATOM 0 HG13 VAL A 34 -6.453 -13.012 -4.179 1.00 1.37 H new ATOM 0 HG21 VAL A 34 -5.084 -12.301 -6.806 1.00 1.25 H new ATOM 0 HG22 VAL A 34 -4.441 -11.952 -5.184 1.00 1.25 H new ATOM 0 HG23 VAL A 34 -3.450 -12.846 -6.361 1.00 1.25 H new ATOM 515 N THR A 35 -4.791 -15.474 -2.207 1.00 0.56 N ATOM 516 CA THR A 35 -5.420 -16.415 -1.313 1.00 0.65 C ATOM 517 C THR A 35 -6.899 -16.063 -1.247 1.00 0.71 C ATOM 518 O THR A 35 -7.737 -16.918 -1.539 1.00 0.86 O ATOM 519 CB THR A 35 -4.729 -16.407 0.051 1.00 0.69 C ATOM 520 OG1 THR A 35 -3.428 -16.921 -0.118 1.00 0.78 O ATOM 521 CG2 THR A 35 -5.459 -17.301 1.057 1.00 0.94 C ATOM 0 H THR A 35 -4.347 -14.683 -1.740 1.00 0.56 H new ATOM 0 HA THR A 35 -5.323 -17.438 -1.676 1.00 0.65 H new ATOM 0 HB THR A 35 -4.723 -15.385 0.431 1.00 0.69 H new ATOM 0 HG1 THR A 35 -3.263 -17.619 0.550 1.00 0.78 H new ATOM 0 HG21 THR A 35 -4.940 -17.271 2.015 1.00 0.94 H new ATOM 0 HG22 THR A 35 -6.481 -16.944 1.187 1.00 0.94 H new ATOM 0 HG23 THR A 35 -5.477 -18.326 0.687 1.00 0.94 H new ATOM 529 N ASP A 36 -7.232 -14.812 -0.894 1.00 0.63 N ATOM 530 CA ASP A 36 -8.634 -14.443 -0.811 1.00 0.69 C ATOM 531 C ASP A 36 -8.849 -12.946 -1.015 1.00 0.71 C ATOM 532 O ASP A 36 -8.630 -12.125 -0.127 1.00 1.37 O ATOM 533 CB ASP A 36 -9.255 -14.967 0.491 1.00 0.80 C ATOM 534 CG ASP A 36 -10.764 -15.085 0.363 1.00 1.01 C ATOM 535 OD1 ASP A 36 -11.208 -15.607 -0.687 1.00 1.85 O ATOM 536 OD2 ASP A 36 -11.450 -14.654 1.311 1.00 1.67 O ATOM 0 H ASP A 36 -6.569 -14.070 -0.671 1.00 0.63 H new ATOM 0 HA ASP A 36 -9.160 -14.926 -1.635 1.00 0.69 H new ATOM 0 HB2 ASP A 36 -8.830 -15.940 0.735 1.00 0.80 H new ATOM 0 HB3 ASP A 36 -9.007 -14.295 1.313 1.00 0.80 H new ATOM 541 N ALA A 37 -9.300 -12.586 -2.215 1.00 0.61 N ATOM 542 CA ALA A 37 -9.616 -11.213 -2.549 1.00 0.50 C ATOM 543 C ALA A 37 -11.003 -10.919 -1.987 1.00 0.45 C ATOM 544 O ALA A 37 -11.947 -11.625 -2.329 1.00 0.56 O ATOM 545 CB ALA A 37 -9.581 -11.054 -4.069 1.00 0.67 C ATOM 0 H ALA A 37 -9.454 -13.244 -2.979 1.00 0.61 H new ATOM 0 HA ALA A 37 -8.897 -10.512 -2.124 1.00 0.50 H new ATOM 0 HB1 ALA A 37 -9.818 -10.023 -4.333 1.00 0.67 H new ATOM 0 HB2 ALA A 37 -8.586 -11.304 -4.438 1.00 0.67 H new ATOM 0 HB3 ALA A 37 -10.314 -11.722 -4.522 1.00 0.67 H new ATOM 551 N ASN A 38 -11.089 -9.927 -1.095 1.00 0.41 N ATOM 552 CA ASN A 38 -12.307 -9.531 -0.404 1.00 0.54 C ATOM 553 C ASN A 38 -12.589 -8.061 -0.714 1.00 0.43 C ATOM 554 O ASN A 38 -11.672 -7.311 -1.051 1.00 0.35 O ATOM 555 CB ASN A 38 -12.125 -9.730 1.107 1.00 0.79 C ATOM 556 CG ASN A 38 -12.248 -11.193 1.511 1.00 0.86 C ATOM 557 OD1 ASN A 38 -13.284 -11.599 2.028 1.00 1.72 O ATOM 558 ND2 ASN A 38 -11.206 -11.990 1.296 1.00 1.23 N ATOM 0 H ASN A 38 -10.282 -9.362 -0.830 1.00 0.41 H new ATOM 0 HA ASN A 38 -13.147 -10.141 -0.738 1.00 0.54 H new ATOM 0 HB2 ASN A 38 -11.147 -9.353 1.407 1.00 0.79 H new ATOM 0 HB3 ASN A 38 -12.871 -9.143 1.642 1.00 0.79 H new ATOM 0 HD21 ASN A 38 -11.252 -12.973 1.563 1.00 1.23 H new ATOM 0 HD22 ASN A 38 -10.360 -11.618 0.864 1.00 1.23 H new ATOM 565 N VAL A 39 -13.842 -7.627 -0.573 1.00 0.59 N ATOM 566 CA VAL A 39 -14.256 -6.259 -0.841 1.00 0.50 C ATOM 567 C VAL A 39 -15.408 -5.868 0.077 1.00 0.73 C ATOM 568 O VAL A 39 -16.554 -6.283 -0.087 1.00 0.97 O ATOM 569 CB VAL A 39 -14.550 -6.097 -2.340 1.00 0.71 C ATOM 570 CG1 VAL A 39 -15.800 -6.875 -2.781 1.00 1.25 C ATOM 571 CG2 VAL A 39 -14.657 -4.611 -2.696 1.00 0.55 C ATOM 0 H VAL A 39 -14.605 -8.229 -0.265 1.00 0.59 H new ATOM 0 HA VAL A 39 -13.453 -5.558 -0.612 1.00 0.50 H new ATOM 0 HB VAL A 39 -13.715 -6.530 -2.891 1.00 0.71 H new ATOM 0 HG11 VAL A 39 -15.963 -6.727 -3.848 1.00 1.25 H new ATOM 0 HG12 VAL A 39 -15.658 -7.937 -2.580 1.00 1.25 H new ATOM 0 HG13 VAL A 39 -16.667 -6.514 -2.228 1.00 1.25 H new ATOM 0 HG21 VAL A 39 -14.866 -4.506 -3.761 1.00 0.55 H new ATOM 0 HG22 VAL A 39 -15.464 -4.156 -2.122 1.00 0.55 H new ATOM 0 HG23 VAL A 39 -13.717 -4.112 -2.459 1.00 0.55 H new ATOM 581 N ASN A 40 -15.104 -5.019 1.054 1.00 0.75 N ATOM 582 CA ASN A 40 -16.072 -4.525 2.005 1.00 1.05 C ATOM 583 C ASN A 40 -16.805 -3.362 1.344 1.00 1.06 C ATOM 584 O ASN A 40 -16.676 -2.211 1.760 1.00 1.09 O ATOM 585 CB ASN A 40 -15.350 -4.146 3.308 1.00 1.19 C ATOM 586 CG ASN A 40 -16.284 -4.306 4.499 1.00 1.53 C ATOM 587 OD1 ASN A 40 -16.079 -5.167 5.346 1.00 2.37 O ATOM 588 ND2 ASN A 40 -17.347 -3.513 4.557 1.00 2.06 N ATOM 0 H ASN A 40 -14.163 -4.655 1.202 1.00 0.75 H new ATOM 0 HA ASN A 40 -16.814 -5.275 2.280 1.00 1.05 H new ATOM 0 HB2 ASN A 40 -14.471 -4.776 3.440 1.00 1.19 H new ATOM 0 HB3 ASN A 40 -14.998 -3.116 3.250 1.00 1.19 H new ATOM 0 HD21 ASN A 40 -18.017 -3.613 5.320 1.00 2.06 H new ATOM 0 HD22 ASN A 40 -17.494 -2.804 3.839 1.00 2.06 H new ATOM 595 N LEU A 41 -17.582 -3.672 0.298 1.00 1.09 N ATOM 596 CA LEU A 41 -18.291 -2.688 -0.520 1.00 1.07 C ATOM 597 C LEU A 41 -19.147 -1.750 0.327 1.00 1.05 C ATOM 598 O LEU A 41 -19.332 -0.590 -0.021 1.00 1.05 O ATOM 599 CB LEU A 41 -19.086 -3.373 -1.650 1.00 1.19 C ATOM 600 CG LEU A 41 -20.407 -4.022 -1.211 1.00 1.40 C ATOM 601 CD1 LEU A 41 -21.593 -3.041 -1.244 1.00 1.66 C ATOM 602 CD2 LEU A 41 -20.740 -5.214 -2.117 1.00 1.59 C ATOM 0 H LEU A 41 -17.736 -4.633 -0.007 1.00 1.09 H new ATOM 0 HA LEU A 41 -17.545 -2.055 -1.001 1.00 1.07 H new ATOM 0 HB2 LEU A 41 -19.300 -2.635 -2.423 1.00 1.19 H new ATOM 0 HB3 LEU A 41 -18.456 -4.137 -2.105 1.00 1.19 H new ATOM 0 HG LEU A 41 -20.261 -4.346 -0.181 1.00 1.40 H new ATOM 0 HD11 LEU A 41 -22.499 -3.555 -0.924 1.00 1.66 H new ATOM 0 HD12 LEU A 41 -21.393 -2.206 -0.573 1.00 1.66 H new ATOM 0 HD13 LEU A 41 -21.727 -2.667 -2.259 1.00 1.66 H new ATOM 0 HD21 LEU A 41 -21.679 -5.665 -1.795 1.00 1.59 H new ATOM 0 HD22 LEU A 41 -20.837 -4.872 -3.147 1.00 1.59 H new ATOM 0 HD23 LEU A 41 -19.942 -5.953 -2.053 1.00 1.59 H new ATOM 614 N ALA A 42 -19.616 -2.239 1.474 1.00 1.09 N ATOM 615 CA ALA A 42 -20.431 -1.481 2.409 1.00 1.10 C ATOM 616 C ALA A 42 -19.710 -0.219 2.889 1.00 1.01 C ATOM 617 O ALA A 42 -20.359 0.755 3.260 1.00 1.08 O ATOM 618 CB ALA A 42 -20.806 -2.371 3.596 1.00 1.21 C ATOM 0 H ALA A 42 -19.433 -3.194 1.781 1.00 1.09 H new ATOM 0 HA ALA A 42 -21.337 -1.160 1.895 1.00 1.10 H new ATOM 0 HB1 ALA A 42 -21.417 -1.803 4.298 1.00 1.21 H new ATOM 0 HB2 ALA A 42 -21.369 -3.234 3.240 1.00 1.21 H new ATOM 0 HB3 ALA A 42 -19.899 -2.711 4.097 1.00 1.21 H new ATOM 624 N THR A 43 -18.375 -0.252 2.895 1.00 0.89 N ATOM 625 CA THR A 43 -17.519 0.875 3.221 1.00 0.83 C ATOM 626 C THR A 43 -16.593 1.201 2.040 1.00 0.72 C ATOM 627 O THR A 43 -15.615 1.921 2.221 1.00 0.73 O ATOM 628 CB THR A 43 -16.723 0.511 4.484 1.00 0.87 C ATOM 629 OG1 THR A 43 -16.074 -0.734 4.295 1.00 0.84 O ATOM 630 CG2 THR A 43 -17.646 0.382 5.700 1.00 1.07 C ATOM 0 H THR A 43 -17.850 -1.095 2.664 1.00 0.89 H new ATOM 0 HA THR A 43 -18.113 1.769 3.413 1.00 0.83 H new ATOM 0 HB THR A 43 -15.998 1.306 4.661 1.00 0.87 H new ATOM 0 HG1 THR A 43 -15.566 -0.964 5.101 1.00 0.84 H new ATOM 0 HG21 THR A 43 -17.056 0.124 6.579 1.00 1.07 H new ATOM 0 HG22 THR A 43 -18.157 1.330 5.871 1.00 1.07 H new ATOM 0 HG23 THR A 43 -18.383 -0.399 5.516 1.00 1.07 H new ATOM 638 N GLU A 44 -16.881 0.658 0.850 1.00 0.72 N ATOM 639 CA GLU A 44 -16.074 0.798 -0.358 1.00 0.69 C ATOM 640 C GLU A 44 -14.570 0.572 -0.130 1.00 0.63 C ATOM 641 O GLU A 44 -13.765 1.367 -0.608 1.00 0.82 O ATOM 642 CB GLU A 44 -16.355 2.154 -1.031 1.00 0.79 C ATOM 643 CG GLU A 44 -17.715 2.164 -1.731 1.00 0.93 C ATOM 644 CD GLU A 44 -17.980 3.515 -2.384 1.00 1.13 C ATOM 645 OE1 GLU A 44 -17.207 3.857 -3.304 1.00 1.45 O ATOM 646 OE2 GLU A 44 -18.939 4.186 -1.945 1.00 2.55 O ATOM 0 H GLU A 44 -17.714 0.089 0.702 1.00 0.72 H new ATOM 0 HA GLU A 44 -16.378 -0.002 -1.034 1.00 0.69 H new ATOM 0 HB2 GLU A 44 -16.325 2.946 -0.282 1.00 0.79 H new ATOM 0 HB3 GLU A 44 -15.570 2.371 -1.756 1.00 0.79 H new ATOM 0 HG2 GLU A 44 -17.746 1.378 -2.486 1.00 0.93 H new ATOM 0 HG3 GLU A 44 -18.502 1.944 -1.009 1.00 0.93 H new ATOM 653 N THR A 45 -14.165 -0.534 0.514 1.00 0.51 N ATOM 654 CA THR A 45 -12.750 -0.838 0.702 1.00 0.50 C ATOM 655 C THR A 45 -12.521 -2.235 0.126 1.00 0.44 C ATOM 656 O THR A 45 -13.297 -3.143 0.410 1.00 0.59 O ATOM 657 CB THR A 45 -12.381 -0.711 2.192 1.00 0.83 C ATOM 658 OG1 THR A 45 -12.422 0.648 2.594 1.00 1.11 O ATOM 659 CG2 THR A 45 -10.990 -1.264 2.486 1.00 0.97 C ATOM 0 H THR A 45 -14.800 -1.227 0.910 1.00 0.51 H new ATOM 0 HA THR A 45 -12.097 -0.137 0.182 1.00 0.50 H new ATOM 0 HB THR A 45 -13.113 -1.295 2.750 1.00 0.83 H new ATOM 0 HG1 THR A 45 -11.563 0.897 2.994 1.00 1.11 H new ATOM 0 HG21 THR A 45 -10.772 -1.154 3.548 1.00 0.97 H new ATOM 0 HG22 THR A 45 -10.953 -2.319 2.216 1.00 0.97 H new ATOM 0 HG23 THR A 45 -10.250 -0.715 1.905 1.00 0.97 H new ATOM 667 N VAL A 46 -11.490 -2.397 -0.705 1.00 0.31 N ATOM 668 CA VAL A 46 -11.013 -3.676 -1.201 1.00 0.29 C ATOM 669 C VAL A 46 -9.919 -4.168 -0.254 1.00 0.31 C ATOM 670 O VAL A 46 -9.054 -3.393 0.140 1.00 0.38 O ATOM 671 CB VAL A 46 -10.552 -3.539 -2.666 1.00 0.27 C ATOM 672 CG1 VAL A 46 -9.531 -2.418 -2.906 1.00 0.33 C ATOM 673 CG2 VAL A 46 -9.939 -4.846 -3.163 1.00 0.29 C ATOM 0 H VAL A 46 -10.949 -1.609 -1.060 1.00 0.31 H new ATOM 0 HA VAL A 46 -11.806 -4.424 -1.214 1.00 0.29 H new ATOM 0 HB VAL A 46 -11.457 -3.286 -3.218 1.00 0.27 H new ATOM 0 HG11 VAL A 46 -9.261 -2.392 -3.962 1.00 0.33 H new ATOM 0 HG12 VAL A 46 -9.967 -1.461 -2.619 1.00 0.33 H new ATOM 0 HG13 VAL A 46 -8.639 -2.604 -2.308 1.00 0.33 H new ATOM 0 HG21 VAL A 46 -9.620 -4.728 -4.199 1.00 0.29 H new ATOM 0 HG22 VAL A 46 -9.078 -5.102 -2.545 1.00 0.29 H new ATOM 0 HG23 VAL A 46 -10.680 -5.643 -3.100 1.00 0.29 H new ATOM 683 N ASN A 47 -9.961 -5.446 0.120 1.00 0.31 N ATOM 684 CA ASN A 47 -8.987 -6.085 0.990 1.00 0.36 C ATOM 685 C ASN A 47 -8.457 -7.292 0.229 1.00 0.43 C ATOM 686 O ASN A 47 -9.120 -8.328 0.178 1.00 0.41 O ATOM 687 CB ASN A 47 -9.632 -6.553 2.306 1.00 0.46 C ATOM 688 CG ASN A 47 -10.291 -5.449 3.131 1.00 1.54 C ATOM 689 OD1 ASN A 47 -11.231 -4.802 2.678 1.00 2.66 O ATOM 690 ND2 ASN A 47 -9.856 -5.257 4.370 1.00 2.66 N ATOM 0 H ASN A 47 -10.698 -6.081 -0.186 1.00 0.31 H new ATOM 0 HA ASN A 47 -8.195 -5.382 1.250 1.00 0.36 H new ATOM 0 HB2 ASN A 47 -10.381 -7.311 2.076 1.00 0.46 H new ATOM 0 HB3 ASN A 47 -8.868 -7.035 2.916 1.00 0.46 H new ATOM 0 HD21 ASN A 47 -10.304 -4.561 4.966 1.00 2.66 H new ATOM 0 HD22 ASN A 47 -9.073 -5.806 4.727 1.00 2.66 H new ATOM 697 N VAL A 48 -7.287 -7.170 -0.399 1.00 0.63 N ATOM 698 CA VAL A 48 -6.729 -8.297 -1.150 1.00 0.65 C ATOM 699 C VAL A 48 -5.751 -9.046 -0.246 1.00 0.62 C ATOM 700 O VAL A 48 -4.860 -8.411 0.321 1.00 0.63 O ATOM 701 CB VAL A 48 -6.109 -7.872 -2.495 1.00 0.64 C ATOM 702 CG1 VAL A 48 -6.083 -9.083 -3.442 1.00 0.67 C ATOM 703 CG2 VAL A 48 -6.917 -6.768 -3.187 1.00 0.69 C ATOM 0 H VAL A 48 -6.718 -6.324 -0.405 1.00 0.63 H new ATOM 0 HA VAL A 48 -7.536 -8.974 -1.432 1.00 0.65 H new ATOM 0 HB VAL A 48 -5.109 -7.496 -2.282 1.00 0.64 H new ATOM 0 HG11 VAL A 48 -5.645 -8.789 -4.396 1.00 0.67 H new ATOM 0 HG12 VAL A 48 -5.485 -9.879 -2.998 1.00 0.67 H new ATOM 0 HG13 VAL A 48 -7.100 -9.440 -3.604 1.00 0.67 H new ATOM 0 HG21 VAL A 48 -6.439 -6.504 -4.130 1.00 0.69 H new ATOM 0 HG22 VAL A 48 -7.929 -7.124 -3.380 1.00 0.69 H new ATOM 0 HG23 VAL A 48 -6.959 -5.890 -2.543 1.00 0.69 H new ATOM 713 N ILE A 49 -5.919 -10.371 -0.093 1.00 0.64 N ATOM 714 CA ILE A 49 -5.054 -11.195 0.743 1.00 0.64 C ATOM 715 C ILE A 49 -4.301 -12.174 -0.153 1.00 0.57 C ATOM 716 O ILE A 49 -4.931 -12.953 -0.879 1.00 0.58 O ATOM 717 CB ILE A 49 -5.877 -11.936 1.812 1.00 0.73 C ATOM 718 CG1 ILE A 49 -6.485 -10.917 2.792 1.00 0.75 C ATOM 719 CG2 ILE A 49 -5.039 -12.972 2.584 1.00 0.80 C ATOM 720 CD1 ILE A 49 -7.844 -11.369 3.324 1.00 1.08 C ATOM 0 H ILE A 49 -6.665 -10.895 -0.551 1.00 0.64 H new ATOM 0 HA ILE A 49 -4.337 -10.565 1.269 1.00 0.64 H new ATOM 0 HB ILE A 49 -6.669 -12.481 1.298 1.00 0.73 H new ATOM 0 HG12 ILE A 49 -5.801 -10.766 3.627 1.00 0.75 H new ATOM 0 HG13 ILE A 49 -6.594 -9.955 2.292 1.00 0.75 H new ATOM 0 HG21 ILE A 49 -5.666 -13.467 3.326 1.00 0.80 H new ATOM 0 HG22 ILE A 49 -4.646 -13.713 1.888 1.00 0.80 H new ATOM 0 HG23 ILE A 49 -4.211 -12.470 3.085 1.00 0.80 H new ATOM 0 HD11 ILE A 49 -8.234 -10.618 4.011 1.00 1.08 H new ATOM 0 HD12 ILE A 49 -8.537 -11.494 2.492 1.00 1.08 H new ATOM 0 HD13 ILE A 49 -7.732 -12.318 3.849 1.00 1.08 H new ATOM 732 N TYR A 50 -2.966 -12.120 -0.131 1.00 0.52 N ATOM 733 CA TYR A 50 -2.144 -12.912 -1.037 1.00 0.47 C ATOM 734 C TYR A 50 -0.730 -13.137 -0.506 1.00 0.50 C ATOM 735 O TYR A 50 -0.326 -12.530 0.488 1.00 0.53 O ATOM 736 CB TYR A 50 -2.093 -12.230 -2.415 1.00 0.47 C ATOM 737 CG TYR A 50 -1.576 -10.816 -2.414 1.00 0.53 C ATOM 738 CD1 TYR A 50 -2.486 -9.774 -2.190 1.00 1.93 C ATOM 739 CD2 TYR A 50 -0.235 -10.529 -2.728 1.00 1.98 C ATOM 740 CE1 TYR A 50 -2.038 -8.452 -2.168 1.00 1.93 C ATOM 741 CE2 TYR A 50 0.215 -9.199 -2.687 1.00 2.03 C ATOM 742 CZ TYR A 50 -0.672 -8.179 -2.304 1.00 0.68 C ATOM 743 OH TYR A 50 -0.176 -7.015 -1.804 1.00 0.65 O ATOM 0 H TYR A 50 -2.434 -11.531 0.510 1.00 0.52 H new ATOM 0 HA TYR A 50 -2.607 -13.895 -1.123 1.00 0.47 H new ATOM 0 HB2 TYR A 50 -1.465 -12.828 -3.075 1.00 0.47 H new ATOM 0 HB3 TYR A 50 -3.096 -12.232 -2.841 1.00 0.47 H new ATOM 0 HD1 TYR A 50 -3.532 -9.993 -2.035 1.00 1.93 H new ATOM 0 HD2 TYR A 50 0.443 -11.325 -2.998 1.00 1.98 H new ATOM 0 HE1 TYR A 50 -2.743 -7.643 -2.046 1.00 1.93 H new ATOM 0 HE2 TYR A 50 1.236 -8.962 -2.948 1.00 2.03 H new ATOM 0 HH TYR A 50 -0.408 -6.276 -2.405 1.00 0.65 H new ATOM 753 N ASP A 51 0.032 -13.980 -1.210 1.00 0.53 N ATOM 754 CA ASP A 51 1.399 -14.307 -0.835 1.00 0.58 C ATOM 755 C ASP A 51 2.350 -13.296 -1.483 1.00 0.63 C ATOM 756 O ASP A 51 2.340 -13.168 -2.714 1.00 0.66 O ATOM 757 CB ASP A 51 1.746 -15.721 -1.319 1.00 0.68 C ATOM 758 CG ASP A 51 2.699 -16.372 -0.336 1.00 0.96 C ATOM 759 OD1 ASP A 51 3.827 -15.846 -0.221 1.00 1.67 O ATOM 760 OD2 ASP A 51 2.254 -17.332 0.331 1.00 2.00 O ATOM 0 H ASP A 51 -0.288 -14.452 -2.056 1.00 0.53 H new ATOM 0 HA ASP A 51 1.500 -14.267 0.250 1.00 0.58 H new ATOM 0 HB2 ASP A 51 0.839 -16.318 -1.412 1.00 0.68 H new ATOM 0 HB3 ASP A 51 2.201 -15.677 -2.308 1.00 0.68 H new ATOM 765 N PRO A 52 3.185 -12.557 -0.734 1.00 0.70 N ATOM 766 CA PRO A 52 4.116 -11.597 -1.318 1.00 0.80 C ATOM 767 C PRO A 52 5.343 -12.299 -1.918 1.00 0.82 C ATOM 768 O PRO A 52 6.472 -11.852 -1.716 1.00 0.91 O ATOM 769 CB PRO A 52 4.496 -10.663 -0.164 1.00 0.94 C ATOM 770 CG PRO A 52 4.404 -11.580 1.058 1.00 0.93 C ATOM 771 CD PRO A 52 3.290 -12.574 0.715 1.00 0.78 C ATOM 0 HA PRO A 52 3.671 -11.047 -2.147 1.00 0.80 H new ATOM 0 HB2 PRO A 52 5.499 -10.254 -0.288 1.00 0.94 H new ATOM 0 HB3 PRO A 52 3.813 -9.817 -0.087 1.00 0.94 H new ATOM 0 HG2 PRO A 52 5.349 -12.092 1.241 1.00 0.93 H new ATOM 0 HG3 PRO A 52 4.167 -11.015 1.960 1.00 0.93 H new ATOM 0 HD2 PRO A 52 3.530 -13.573 1.079 1.00 0.78 H new ATOM 0 HD3 PRO A 52 2.348 -12.283 1.180 1.00 0.78 H new ATOM 779 N ALA A 53 5.128 -13.378 -2.675 1.00 0.83 N ATOM 780 CA ALA A 53 6.217 -14.173 -3.247 1.00 0.91 C ATOM 781 C ALA A 53 5.740 -15.138 -4.328 1.00 1.02 C ATOM 782 O ALA A 53 6.379 -16.153 -4.594 1.00 1.43 O ATOM 783 CB ALA A 53 6.953 -14.945 -2.148 1.00 0.89 C ATOM 0 H ALA A 53 4.197 -13.724 -2.908 1.00 0.83 H new ATOM 0 HA ALA A 53 6.900 -13.468 -3.721 1.00 0.91 H new ATOM 0 HB1 ALA A 53 7.759 -15.530 -2.592 1.00 0.89 H new ATOM 0 HB2 ALA A 53 7.370 -14.242 -1.426 1.00 0.89 H new ATOM 0 HB3 ALA A 53 6.255 -15.613 -1.643 1.00 0.89 H new ATOM 789 N GLU A 54 4.645 -14.769 -4.981 1.00 0.87 N ATOM 790 CA GLU A 54 4.094 -15.450 -6.132 1.00 0.93 C ATOM 791 C GLU A 54 3.519 -14.411 -7.089 1.00 0.97 C ATOM 792 O GLU A 54 3.726 -14.488 -8.297 1.00 1.07 O ATOM 793 CB GLU A 54 2.990 -16.422 -5.707 1.00 0.88 C ATOM 794 CG GLU A 54 3.531 -17.664 -4.988 1.00 0.90 C ATOM 795 CD GLU A 54 2.542 -18.818 -5.090 1.00 0.94 C ATOM 796 OE1 GLU A 54 1.339 -18.547 -4.896 1.00 2.02 O ATOM 797 OE2 GLU A 54 2.997 -19.937 -5.412 1.00 1.88 O ATOM 0 H GLU A 54 4.099 -13.953 -4.707 1.00 0.87 H new ATOM 0 HA GLU A 54 4.883 -16.019 -6.623 1.00 0.93 H new ATOM 0 HB2 GLU A 54 2.290 -15.904 -5.051 1.00 0.88 H new ATOM 0 HB3 GLU A 54 2.429 -16.734 -6.588 1.00 0.88 H new ATOM 0 HG2 GLU A 54 4.486 -17.957 -5.425 1.00 0.90 H new ATOM 0 HG3 GLU A 54 3.719 -17.431 -3.940 1.00 0.90 H new ATOM 804 N THR A 55 2.770 -13.447 -6.543 1.00 0.91 N ATOM 805 CA THR A 55 2.005 -12.495 -7.300 1.00 0.84 C ATOM 806 C THR A 55 2.730 -11.151 -7.248 1.00 0.90 C ATOM 807 O THR A 55 3.478 -10.829 -8.167 1.00 1.05 O ATOM 808 CB THR A 55 0.608 -12.536 -6.684 1.00 0.69 C ATOM 809 OG1 THR A 55 -0.008 -13.758 -7.048 1.00 0.76 O ATOM 810 CG2 THR A 55 -0.260 -11.402 -7.171 1.00 0.68 C ATOM 0 H THR A 55 2.688 -13.318 -5.535 1.00 0.91 H new ATOM 0 HA THR A 55 1.903 -12.705 -8.365 1.00 0.84 H new ATOM 0 HB THR A 55 0.713 -12.443 -5.603 1.00 0.69 H new ATOM 0 HG1 THR A 55 -0.906 -13.800 -6.658 1.00 0.76 H new ATOM 0 HG21 THR A 55 -1.244 -11.472 -6.707 1.00 0.68 H new ATOM 0 HG22 THR A 55 0.201 -10.451 -6.904 1.00 0.68 H new ATOM 0 HG23 THR A 55 -0.365 -11.463 -8.254 1.00 0.68 H new ATOM 818 N GLY A 56 2.543 -10.378 -6.174 1.00 0.84 N ATOM 819 CA GLY A 56 3.250 -9.127 -5.976 1.00 0.95 C ATOM 820 C GLY A 56 2.239 -7.994 -6.000 1.00 0.89 C ATOM 821 O GLY A 56 1.481 -7.852 -6.956 1.00 0.85 O ATOM 0 H GLY A 56 1.895 -10.610 -5.421 1.00 0.84 H new ATOM 0 HA2 GLY A 56 3.783 -9.139 -5.025 1.00 0.95 H new ATOM 0 HA3 GLY A 56 3.996 -8.986 -6.758 1.00 0.95 H new ATOM 825 N THR A 57 2.209 -7.204 -4.929 1.00 0.89 N ATOM 826 CA THR A 57 1.237 -6.129 -4.729 1.00 0.87 C ATOM 827 C THR A 57 1.055 -5.244 -5.976 1.00 0.81 C ATOM 828 O THR A 57 -0.066 -4.886 -6.335 1.00 0.74 O ATOM 829 CB THR A 57 1.558 -5.357 -3.436 1.00 0.87 C ATOM 830 OG1 THR A 57 0.399 -4.711 -2.946 1.00 1.11 O ATOM 831 CG2 THR A 57 2.698 -4.359 -3.572 1.00 0.80 C ATOM 0 H THR A 57 2.873 -7.294 -4.160 1.00 0.89 H new ATOM 0 HA THR A 57 0.252 -6.574 -4.590 1.00 0.87 H new ATOM 0 HB THR A 57 1.899 -6.106 -2.722 1.00 0.87 H new ATOM 0 HG1 THR A 57 0.618 -4.226 -2.123 1.00 1.11 H new ATOM 0 HG21 THR A 57 2.859 -3.859 -2.617 1.00 0.80 H new ATOM 0 HG22 THR A 57 3.608 -4.883 -3.865 1.00 0.80 H new ATOM 0 HG23 THR A 57 2.445 -3.619 -4.331 1.00 0.80 H new ATOM 839 N ALA A 58 2.146 -4.934 -6.679 1.00 0.86 N ATOM 840 CA ALA A 58 2.073 -4.175 -7.921 1.00 0.88 C ATOM 841 C ALA A 58 1.231 -4.910 -8.972 1.00 0.86 C ATOM 842 O ALA A 58 0.404 -4.305 -9.647 1.00 0.85 O ATOM 843 CB ALA A 58 3.485 -3.892 -8.437 1.00 0.97 C ATOM 0 H ALA A 58 3.092 -5.200 -6.405 1.00 0.86 H new ATOM 0 HA ALA A 58 1.578 -3.224 -7.723 1.00 0.88 H new ATOM 0 HB1 ALA A 58 3.426 -3.324 -9.366 1.00 0.97 H new ATOM 0 HB2 ALA A 58 4.035 -3.315 -7.694 1.00 0.97 H new ATOM 0 HB3 ALA A 58 4.001 -4.834 -8.620 1.00 0.97 H new ATOM 849 N ALA A 59 1.402 -6.227 -9.107 1.00 0.86 N ATOM 850 CA ALA A 59 0.633 -7.004 -10.068 1.00 0.86 C ATOM 851 C ALA A 59 -0.847 -7.038 -9.685 1.00 0.83 C ATOM 852 O ALA A 59 -1.726 -7.062 -10.547 1.00 0.87 O ATOM 853 CB ALA A 59 1.189 -8.418 -10.169 1.00 0.87 C ATOM 0 H ALA A 59 2.068 -6.773 -8.560 1.00 0.86 H new ATOM 0 HA ALA A 59 0.719 -6.523 -11.042 1.00 0.86 H new ATOM 0 HB1 ALA A 59 0.605 -8.988 -10.891 1.00 0.87 H new ATOM 0 HB2 ALA A 59 2.229 -8.378 -10.494 1.00 0.87 H new ATOM 0 HB3 ALA A 59 1.133 -8.902 -9.194 1.00 0.87 H new ATOM 859 N ILE A 60 -1.132 -7.043 -8.378 1.00 0.78 N ATOM 860 CA ILE A 60 -2.503 -6.947 -7.893 1.00 0.73 C ATOM 861 C ILE A 60 -3.134 -5.680 -8.477 1.00 0.80 C ATOM 862 O ILE A 60 -4.164 -5.743 -9.152 1.00 0.82 O ATOM 863 CB ILE A 60 -2.560 -6.922 -6.356 1.00 0.69 C ATOM 864 CG1 ILE A 60 -1.768 -8.039 -5.668 1.00 0.73 C ATOM 865 CG2 ILE A 60 -4.000 -6.949 -5.850 1.00 0.67 C ATOM 866 CD1 ILE A 60 -2.447 -9.402 -5.645 1.00 0.69 C ATOM 0 H ILE A 60 -0.429 -7.113 -7.642 1.00 0.78 H new ATOM 0 HA ILE A 60 -3.059 -7.827 -8.215 1.00 0.73 H new ATOM 0 HB ILE A 60 -2.080 -5.981 -6.086 1.00 0.69 H new ATOM 0 HG12 ILE A 60 -0.805 -8.140 -6.169 1.00 0.73 H new ATOM 0 HG13 ILE A 60 -1.563 -7.737 -4.641 1.00 0.73 H new ATOM 0 HG21 ILE A 60 -4.003 -6.930 -4.760 1.00 0.67 H new ATOM 0 HG22 ILE A 60 -4.535 -6.079 -6.229 1.00 0.67 H new ATOM 0 HG23 ILE A 60 -4.491 -7.857 -6.199 1.00 0.67 H new ATOM 0 HD11 ILE A 60 -1.804 -10.120 -5.136 1.00 0.69 H new ATOM 0 HD12 ILE A 60 -3.397 -9.326 -5.115 1.00 0.69 H new ATOM 0 HD13 ILE A 60 -2.627 -9.736 -6.667 1.00 0.69 H new ATOM 878 N GLN A 61 -2.496 -4.528 -8.236 1.00 0.86 N ATOM 879 CA GLN A 61 -3.029 -3.261 -8.719 1.00 0.93 C ATOM 880 C GLN A 61 -3.076 -3.265 -10.246 1.00 0.97 C ATOM 881 O GLN A 61 -4.054 -2.805 -10.828 1.00 0.99 O ATOM 882 CB GLN A 61 -2.317 -2.044 -8.098 1.00 1.01 C ATOM 883 CG GLN A 61 -1.221 -1.403 -8.961 1.00 1.22 C ATOM 884 CD GLN A 61 -0.561 -0.235 -8.242 1.00 0.94 C ATOM 885 OE1 GLN A 61 0.312 -0.436 -7.401 1.00 1.72 O ATOM 886 NE2 GLN A 61 -0.961 0.991 -8.562 1.00 1.12 N ATOM 0 H GLN A 61 -1.622 -4.453 -7.716 1.00 0.86 H new ATOM 0 HA GLN A 61 -4.058 -3.155 -8.377 1.00 0.93 H new ATOM 0 HB2 GLN A 61 -3.066 -1.285 -7.871 1.00 1.01 H new ATOM 0 HB3 GLN A 61 -1.875 -2.350 -7.150 1.00 1.01 H new ATOM 0 HG2 GLN A 61 -0.468 -2.151 -9.211 1.00 1.22 H new ATOM 0 HG3 GLN A 61 -1.651 -1.058 -9.901 1.00 1.22 H new ATOM 0 HE21 GLN A 61 -1.688 1.123 -9.265 1.00 1.12 H new ATOM 0 HE22 GLN A 61 -0.541 1.800 -8.105 1.00 1.12 H new ATOM 895 N GLU A 62 -2.061 -3.840 -10.901 1.00 0.99 N ATOM 896 CA GLU A 62 -2.060 -3.955 -12.348 1.00 1.05 C ATOM 897 C GLU A 62 -3.348 -4.630 -12.831 1.00 1.01 C ATOM 898 O GLU A 62 -3.921 -4.210 -13.835 1.00 1.04 O ATOM 899 CB GLU A 62 -0.799 -4.691 -12.815 1.00 1.09 C ATOM 900 CG GLU A 62 -0.822 -4.963 -14.319 1.00 1.33 C ATOM 901 CD GLU A 62 0.462 -5.611 -14.813 1.00 1.52 C ATOM 902 OE1 GLU A 62 1.518 -4.958 -14.680 1.00 2.06 O ATOM 903 OE2 GLU A 62 0.348 -6.747 -15.323 1.00 2.71 O ATOM 0 H GLU A 62 -1.236 -4.229 -10.446 1.00 0.99 H new ATOM 0 HA GLU A 62 -2.038 -2.960 -12.794 1.00 1.05 H new ATOM 0 HB2 GLU A 62 0.081 -4.097 -12.567 1.00 1.09 H new ATOM 0 HB3 GLU A 62 -0.709 -5.635 -12.277 1.00 1.09 H new ATOM 0 HG2 GLU A 62 -1.666 -5.611 -14.555 1.00 1.33 H new ATOM 0 HG3 GLU A 62 -0.981 -4.026 -14.852 1.00 1.33 H new ATOM 910 N LYS A 63 -3.836 -5.669 -12.142 1.00 0.94 N ATOM 911 CA LYS A 63 -5.027 -6.350 -12.590 1.00 0.92 C ATOM 912 C LYS A 63 -6.247 -5.436 -12.449 1.00 0.86 C ATOM 913 O LYS A 63 -7.084 -5.381 -13.351 1.00 0.86 O ATOM 914 CB LYS A 63 -5.151 -7.664 -11.818 1.00 0.93 C ATOM 915 CG LYS A 63 -6.232 -8.585 -12.391 1.00 1.33 C ATOM 916 CD LYS A 63 -6.085 -8.916 -13.884 1.00 2.07 C ATOM 917 CE LYS A 63 -4.695 -9.467 -14.238 1.00 1.74 C ATOM 918 NZ LYS A 63 -4.415 -10.755 -13.568 1.00 2.83 N ATOM 0 H LYS A 63 -3.423 -6.042 -11.287 1.00 0.94 H new ATOM 0 HA LYS A 63 -4.965 -6.595 -13.650 1.00 0.92 H new ATOM 0 HB2 LYS A 63 -4.192 -8.182 -11.834 1.00 0.93 H new ATOM 0 HB3 LYS A 63 -5.379 -7.448 -10.774 1.00 0.93 H new ATOM 0 HG2 LYS A 63 -6.229 -9.517 -11.826 1.00 1.33 H new ATOM 0 HG3 LYS A 63 -7.205 -8.120 -12.232 1.00 1.33 H new ATOM 0 HD2 LYS A 63 -6.843 -9.647 -14.166 1.00 2.07 H new ATOM 0 HD3 LYS A 63 -6.275 -8.017 -14.471 1.00 2.07 H new ATOM 0 HE2 LYS A 63 -4.623 -9.598 -15.318 1.00 1.74 H new ATOM 0 HE3 LYS A 63 -3.935 -8.739 -13.954 1.00 1.74 H new ATOM 0 HZ1 LYS A 63 -3.467 -11.087 -13.837 1.00 2.83 H new ATOM 0 HZ2 LYS A 63 -4.457 -10.626 -12.537 1.00 2.83 H new ATOM 0 HZ3 LYS A 63 -5.124 -11.459 -13.858 1.00 2.83 H new ATOM 932 N ILE A 64 -6.339 -4.705 -11.334 1.00 0.83 N ATOM 933 CA ILE A 64 -7.374 -3.698 -11.122 1.00 0.77 C ATOM 934 C ILE A 64 -7.357 -2.690 -12.282 1.00 0.79 C ATOM 935 O ILE A 64 -8.394 -2.422 -12.894 1.00 0.79 O ATOM 936 CB ILE A 64 -7.180 -3.046 -9.736 1.00 0.76 C ATOM 937 CG1 ILE A 64 -7.405 -4.106 -8.640 1.00 0.78 C ATOM 938 CG2 ILE A 64 -8.114 -1.852 -9.514 1.00 0.71 C ATOM 939 CD1 ILE A 64 -7.109 -3.586 -7.230 1.00 0.81 C ATOM 0 H ILE A 64 -5.692 -4.799 -10.551 1.00 0.83 H new ATOM 0 HA ILE A 64 -8.365 -4.153 -11.119 1.00 0.77 H new ATOM 0 HB ILE A 64 -6.160 -2.663 -9.688 1.00 0.76 H new ATOM 0 HG12 ILE A 64 -8.438 -4.451 -8.684 1.00 0.78 H new ATOM 0 HG13 ILE A 64 -6.771 -4.969 -8.843 1.00 0.78 H new ATOM 0 HG21 ILE A 64 -7.937 -1.430 -8.525 1.00 0.71 H new ATOM 0 HG22 ILE A 64 -7.921 -1.093 -10.272 1.00 0.71 H new ATOM 0 HG23 ILE A 64 -9.150 -2.182 -9.587 1.00 0.71 H new ATOM 0 HD11 ILE A 64 -7.287 -4.380 -6.505 1.00 0.81 H new ATOM 0 HD12 ILE A 64 -6.068 -3.267 -7.171 1.00 0.81 H new ATOM 0 HD13 ILE A 64 -7.761 -2.741 -7.010 1.00 0.81 H new ATOM 951 N GLU A 65 -6.179 -2.160 -12.616 1.00 0.85 N ATOM 952 CA GLU A 65 -6.065 -1.192 -13.699 1.00 0.88 C ATOM 953 C GLU A 65 -6.414 -1.826 -15.050 1.00 0.92 C ATOM 954 O GLU A 65 -7.106 -1.214 -15.860 1.00 1.03 O ATOM 955 CB GLU A 65 -4.693 -0.509 -13.672 1.00 0.88 C ATOM 956 CG GLU A 65 -4.519 0.255 -12.348 1.00 0.87 C ATOM 957 CD GLU A 65 -3.316 1.188 -12.340 1.00 1.04 C ATOM 958 OE1 GLU A 65 -2.422 0.981 -13.188 1.00 1.88 O ATOM 959 OE2 GLU A 65 -3.309 2.082 -11.466 1.00 1.30 O ATOM 0 H GLU A 65 -5.298 -2.385 -12.154 1.00 0.85 H new ATOM 0 HA GLU A 65 -6.801 -0.402 -13.548 1.00 0.88 H new ATOM 0 HB2 GLU A 65 -3.904 -1.253 -13.780 1.00 0.88 H new ATOM 0 HB3 GLU A 65 -4.601 0.177 -14.514 1.00 0.88 H new ATOM 0 HG2 GLU A 65 -5.420 0.835 -12.151 1.00 0.87 H new ATOM 0 HG3 GLU A 65 -4.418 -0.463 -11.534 1.00 0.87 H new ATOM 966 N LYS A 66 -6.010 -3.077 -15.292 1.00 0.90 N ATOM 967 CA LYS A 66 -6.414 -3.811 -16.488 1.00 0.93 C ATOM 968 C LYS A 66 -7.937 -3.998 -16.548 1.00 0.84 C ATOM 969 O LYS A 66 -8.505 -4.005 -17.637 1.00 0.88 O ATOM 970 CB LYS A 66 -5.646 -5.127 -16.617 1.00 1.04 C ATOM 971 CG LYS A 66 -4.213 -4.781 -17.051 1.00 1.11 C ATOM 972 CD LYS A 66 -3.243 -5.947 -16.880 1.00 1.78 C ATOM 973 CE LYS A 66 -2.871 -6.702 -18.162 1.00 3.02 C ATOM 974 NZ LYS A 66 -4.034 -7.309 -18.834 1.00 4.90 N ATOM 0 H LYS A 66 -5.399 -3.603 -14.668 1.00 0.90 H new ATOM 0 HA LYS A 66 -6.148 -3.211 -17.358 1.00 0.93 H new ATOM 0 HB2 LYS A 66 -5.641 -5.663 -15.668 1.00 1.04 H new ATOM 0 HB3 LYS A 66 -6.122 -5.779 -17.349 1.00 1.04 H new ATOM 0 HG2 LYS A 66 -4.220 -4.471 -18.096 1.00 1.11 H new ATOM 0 HG3 LYS A 66 -3.858 -3.931 -16.469 1.00 1.11 H new ATOM 0 HD2 LYS A 66 -2.327 -5.569 -16.425 1.00 1.78 H new ATOM 0 HD3 LYS A 66 -3.679 -6.657 -16.177 1.00 1.78 H new ATOM 0 HE2 LYS A 66 -2.378 -6.016 -18.851 1.00 3.02 H new ATOM 0 HE3 LYS A 66 -2.150 -7.483 -17.920 1.00 3.02 H new ATOM 0 HZ1 LYS A 66 -3.719 -7.804 -19.693 1.00 4.90 H new ATOM 0 HZ2 LYS A 66 -4.492 -7.987 -18.191 1.00 4.90 H new ATOM 0 HZ3 LYS A 66 -4.713 -6.565 -19.093 1.00 4.90 H new ATOM 988 N LEU A 67 -8.607 -4.121 -15.395 1.00 0.76 N ATOM 989 CA LEU A 67 -10.067 -4.111 -15.312 1.00 0.80 C ATOM 990 C LEU A 67 -10.669 -2.707 -15.488 1.00 0.75 C ATOM 991 O LEU A 67 -11.888 -2.558 -15.413 1.00 0.92 O ATOM 992 CB LEU A 67 -10.521 -4.761 -13.994 1.00 0.83 C ATOM 993 CG LEU A 67 -10.997 -6.208 -14.221 1.00 1.31 C ATOM 994 CD1 LEU A 67 -10.353 -7.128 -13.190 1.00 1.16 C ATOM 995 CD2 LEU A 67 -12.526 -6.284 -14.158 1.00 2.76 C ATOM 0 H LEU A 67 -8.146 -4.231 -14.492 1.00 0.76 H new ATOM 0 HA LEU A 67 -10.447 -4.700 -16.147 1.00 0.80 H new ATOM 0 HB2 LEU A 67 -9.698 -4.754 -13.280 1.00 0.83 H new ATOM 0 HB3 LEU A 67 -11.328 -4.174 -13.555 1.00 0.83 H new ATOM 0 HG LEU A 67 -10.691 -6.537 -15.214 1.00 1.31 H new ATOM 0 HD11 LEU A 67 -10.692 -8.151 -13.353 1.00 1.16 H new ATOM 0 HD12 LEU A 67 -9.269 -7.084 -13.291 1.00 1.16 H new ATOM 0 HD13 LEU A 67 -10.638 -6.807 -12.188 1.00 1.16 H new ATOM 0 HD21 LEU A 67 -12.846 -7.313 -14.320 1.00 2.76 H new ATOM 0 HD22 LEU A 67 -12.867 -5.948 -13.179 1.00 2.76 H new ATOM 0 HD23 LEU A 67 -12.954 -5.645 -14.930 1.00 2.76 H new ATOM 1007 N GLY A 68 -9.852 -1.678 -15.727 1.00 0.79 N ATOM 1008 CA GLY A 68 -10.317 -0.315 -15.926 1.00 0.81 C ATOM 1009 C GLY A 68 -10.818 0.311 -14.627 1.00 0.71 C ATOM 1010 O GLY A 68 -11.648 1.217 -14.664 1.00 1.07 O ATOM 0 H GLY A 68 -8.838 -1.776 -15.787 1.00 0.79 H new ATOM 0 HA2 GLY A 68 -9.506 0.290 -16.331 1.00 0.81 H new ATOM 0 HA3 GLY A 68 -11.119 -0.309 -16.665 1.00 0.81 H new ATOM 1014 N TYR A 69 -10.314 -0.156 -13.479 1.00 0.52 N ATOM 1015 CA TYR A 69 -10.563 0.474 -12.189 1.00 0.53 C ATOM 1016 C TYR A 69 -9.387 1.389 -11.847 1.00 0.52 C ATOM 1017 O TYR A 69 -8.392 1.423 -12.568 1.00 0.55 O ATOM 1018 CB TYR A 69 -10.765 -0.609 -11.122 1.00 0.62 C ATOM 1019 CG TYR A 69 -12.197 -1.039 -10.891 1.00 0.65 C ATOM 1020 CD1 TYR A 69 -13.049 -1.330 -11.972 1.00 1.32 C ATOM 1021 CD2 TYR A 69 -12.654 -1.221 -9.573 1.00 2.35 C ATOM 1022 CE1 TYR A 69 -14.324 -1.865 -11.730 1.00 1.40 C ATOM 1023 CE2 TYR A 69 -13.954 -1.678 -9.332 1.00 2.99 C ATOM 1024 CZ TYR A 69 -14.757 -2.071 -10.410 1.00 2.02 C ATOM 1025 OH TYR A 69 -15.753 -2.956 -10.169 1.00 2.67 O ATOM 0 H TYR A 69 -9.721 -0.984 -13.424 1.00 0.52 H new ATOM 0 HA TYR A 69 -11.469 1.079 -12.227 1.00 0.53 H new ATOM 0 HB2 TYR A 69 -10.182 -1.486 -11.405 1.00 0.62 H new ATOM 0 HB3 TYR A 69 -10.357 -0.245 -10.179 1.00 0.62 H new ATOM 0 HD1 TYR A 69 -12.723 -1.142 -12.984 1.00 1.32 H new ATOM 0 HD2 TYR A 69 -11.998 -1.007 -8.743 1.00 2.35 H new ATOM 0 HE1 TYR A 69 -14.971 -2.118 -12.557 1.00 1.40 H new ATOM 0 HE2 TYR A 69 -14.335 -1.727 -8.323 1.00 2.99 H new ATOM 0 HH TYR A 69 -16.380 -2.956 -10.922 1.00 2.67 H new ATOM 1035 N HIS A 70 -9.501 2.126 -10.740 1.00 0.52 N ATOM 1036 CA HIS A 70 -8.449 3.002 -10.247 1.00 0.52 C ATOM 1037 C HIS A 70 -8.383 2.894 -8.727 1.00 0.54 C ATOM 1038 O HIS A 70 -9.419 2.836 -8.069 1.00 0.56 O ATOM 1039 CB HIS A 70 -8.720 4.444 -10.694 1.00 0.54 C ATOM 1040 CG HIS A 70 -7.992 4.797 -11.967 1.00 0.80 C ATOM 1041 ND1 HIS A 70 -6.660 5.135 -12.066 1.00 1.66 N ATOM 1042 CD2 HIS A 70 -8.507 4.767 -13.235 1.00 2.18 C ATOM 1043 CE1 HIS A 70 -6.389 5.326 -13.369 1.00 1.52 C ATOM 1044 NE2 HIS A 70 -7.484 5.124 -14.120 1.00 2.04 N ATOM 0 H HIS A 70 -10.338 2.128 -10.158 1.00 0.52 H new ATOM 0 HA HIS A 70 -7.486 2.701 -10.659 1.00 0.52 H new ATOM 0 HB2 HIS A 70 -9.791 4.581 -10.841 1.00 0.54 H new ATOM 0 HB3 HIS A 70 -8.417 5.130 -9.903 1.00 0.54 H new ATOM 0 HD2 HIS A 70 -9.522 4.513 -13.504 1.00 2.18 H new ATOM 0 HE1 HIS A 70 -5.421 5.604 -13.759 1.00 1.52 H new ATOM 0 HE2 HIS A 70 -7.555 5.213 -15.134 1.00 2.04 H new ATOM 1052 N VAL A 71 -7.166 2.860 -8.181 1.00 0.61 N ATOM 1053 CA VAL A 71 -6.921 2.813 -6.749 1.00 0.63 C ATOM 1054 C VAL A 71 -6.978 4.235 -6.188 1.00 0.57 C ATOM 1055 O VAL A 71 -6.512 5.175 -6.832 1.00 0.57 O ATOM 1056 CB VAL A 71 -5.576 2.117 -6.468 1.00 0.69 C ATOM 1057 CG1 VAL A 71 -5.577 0.689 -7.029 1.00 0.95 C ATOM 1058 CG2 VAL A 71 -4.357 2.869 -7.027 1.00 0.64 C ATOM 0 H VAL A 71 -6.311 2.865 -8.737 1.00 0.61 H new ATOM 0 HA VAL A 71 -7.690 2.226 -6.247 1.00 0.63 H new ATOM 0 HB VAL A 71 -5.479 2.105 -5.382 1.00 0.69 H new ATOM 0 HG11 VAL A 71 -4.618 0.215 -6.820 1.00 0.95 H new ATOM 0 HG12 VAL A 71 -6.376 0.114 -6.560 1.00 0.95 H new ATOM 0 HG13 VAL A 71 -5.738 0.722 -8.107 1.00 0.95 H new ATOM 0 HG21 VAL A 71 -3.448 2.317 -6.789 1.00 0.64 H new ATOM 0 HG22 VAL A 71 -4.452 2.962 -8.109 1.00 0.64 H new ATOM 0 HG23 VAL A 71 -4.306 3.862 -6.580 1.00 0.64 H new ATOM 1068 N VAL A 72 -7.560 4.406 -5.000 1.00 0.60 N ATOM 1069 CA VAL A 72 -7.559 5.682 -4.308 1.00 0.64 C ATOM 1070 C VAL A 72 -6.263 5.698 -3.505 1.00 0.72 C ATOM 1071 O VAL A 72 -6.174 5.085 -2.439 1.00 1.36 O ATOM 1072 CB VAL A 72 -8.804 5.790 -3.417 1.00 0.71 C ATOM 1073 CG1 VAL A 72 -8.833 7.126 -2.664 1.00 0.83 C ATOM 1074 CG2 VAL A 72 -10.101 5.642 -4.225 1.00 0.69 C ATOM 0 H VAL A 72 -8.043 3.661 -4.497 1.00 0.60 H new ATOM 0 HA VAL A 72 -7.600 6.537 -4.983 1.00 0.64 H new ATOM 0 HB VAL A 72 -8.743 4.971 -2.701 1.00 0.71 H new ATOM 0 HG11 VAL A 72 -9.726 7.173 -2.041 1.00 0.83 H new ATOM 0 HG12 VAL A 72 -7.947 7.208 -2.034 1.00 0.83 H new ATOM 0 HG13 VAL A 72 -8.846 7.947 -3.381 1.00 0.83 H new ATOM 0 HG21 VAL A 72 -10.958 5.725 -3.556 1.00 0.69 H new ATOM 0 HG22 VAL A 72 -10.152 6.428 -4.979 1.00 0.69 H new ATOM 0 HG23 VAL A 72 -10.116 4.668 -4.715 1.00 0.69 H new ATOM 1084 N THR A 73 -5.208 6.292 -4.058 1.00 0.54 N ATOM 1085 CA THR A 73 -3.881 6.231 -3.471 1.00 0.59 C ATOM 1086 C THR A 73 -3.090 7.435 -3.963 1.00 0.66 C ATOM 1087 O THR A 73 -3.224 7.796 -5.132 1.00 0.76 O ATOM 1088 CB THR A 73 -3.199 4.911 -3.867 1.00 0.70 C ATOM 1089 OG1 THR A 73 -4.116 3.835 -3.837 1.00 0.73 O ATOM 1090 CG2 THR A 73 -2.085 4.583 -2.878 1.00 0.98 C ATOM 0 H THR A 73 -5.254 6.828 -4.925 1.00 0.54 H new ATOM 0 HA THR A 73 -3.936 6.259 -2.383 1.00 0.59 H new ATOM 0 HB THR A 73 -2.806 5.039 -4.875 1.00 0.70 H new ATOM 0 HG1 THR A 73 -3.658 3.008 -4.094 1.00 0.73 H new ATOM 0 HG21 THR A 73 -1.607 3.647 -3.166 1.00 0.98 H new ATOM 0 HG22 THR A 73 -1.346 5.384 -2.884 1.00 0.98 H new ATOM 0 HG23 THR A 73 -2.505 4.484 -1.877 1.00 0.98 H new ATOM 1098 N GLU A 74 -2.301 8.063 -3.084 1.00 0.67 N ATOM 1099 CA GLU A 74 -1.585 9.293 -3.401 1.00 0.74 C ATOM 1100 C GLU A 74 -0.111 9.142 -3.024 1.00 0.67 C ATOM 1101 O GLU A 74 0.200 8.695 -1.919 1.00 0.70 O ATOM 1102 CB GLU A 74 -2.245 10.472 -2.674 1.00 0.83 C ATOM 1103 CG GLU A 74 -3.692 10.680 -3.153 1.00 1.43 C ATOM 1104 CD GLU A 74 -4.372 11.845 -2.446 1.00 2.52 C ATOM 1105 OE1 GLU A 74 -3.701 12.888 -2.299 1.00 3.09 O ATOM 1106 OE2 GLU A 74 -5.550 11.669 -2.065 1.00 3.57 O ATOM 0 H GLU A 74 -2.144 7.728 -2.133 1.00 0.67 H new ATOM 0 HA GLU A 74 -1.634 9.492 -4.472 1.00 0.74 H new ATOM 0 HB2 GLU A 74 -2.237 10.291 -1.599 1.00 0.83 H new ATOM 0 HB3 GLU A 74 -1.667 11.380 -2.848 1.00 0.83 H new ATOM 0 HG2 GLU A 74 -3.694 10.859 -4.228 1.00 1.43 H new ATOM 0 HG3 GLU A 74 -4.264 9.769 -2.980 1.00 1.43 H new ATOM 1113 N LYS A 75 0.783 9.505 -3.952 1.00 0.64 N ATOM 1114 CA LYS A 75 2.226 9.408 -3.783 1.00 0.59 C ATOM 1115 C LYS A 75 2.733 10.647 -3.043 1.00 0.58 C ATOM 1116 O LYS A 75 3.134 11.636 -3.654 1.00 0.67 O ATOM 1117 CB LYS A 75 2.898 9.093 -5.131 1.00 0.69 C ATOM 1118 CG LYS A 75 3.080 10.252 -6.108 1.00 0.96 C ATOM 1119 CD LYS A 75 3.302 9.694 -7.525 1.00 1.04 C ATOM 1120 CE LYS A 75 4.298 10.533 -8.336 1.00 2.28 C ATOM 1121 NZ LYS A 75 3.927 11.962 -8.384 1.00 2.85 N ATOM 0 H LYS A 75 0.510 9.882 -4.860 1.00 0.64 H new ATOM 0 HA LYS A 75 2.505 8.568 -3.147 1.00 0.59 H new ATOM 0 HB2 LYS A 75 3.880 8.666 -4.927 1.00 0.69 H new ATOM 0 HB3 LYS A 75 2.311 8.321 -5.629 1.00 0.69 H new ATOM 0 HG2 LYS A 75 2.201 10.897 -6.092 1.00 0.96 H new ATOM 0 HG3 LYS A 75 3.930 10.865 -5.809 1.00 0.96 H new ATOM 0 HD2 LYS A 75 3.667 8.669 -7.456 1.00 1.04 H new ATOM 0 HD3 LYS A 75 2.348 9.658 -8.052 1.00 1.04 H new ATOM 0 HE2 LYS A 75 5.292 10.434 -7.899 1.00 2.28 H new ATOM 0 HE3 LYS A 75 4.355 10.142 -9.352 1.00 2.28 H new ATOM 0 HZ1 LYS A 75 4.572 12.467 -9.025 1.00 2.85 H new ATOM 0 HZ2 LYS A 75 2.951 12.056 -8.730 1.00 2.85 H new ATOM 0 HZ3 LYS A 75 3.997 12.371 -7.430 1.00 2.85 H new ATOM 1135 N ALA A 76 2.660 10.602 -1.714 1.00 0.53 N ATOM 1136 CA ALA A 76 3.065 11.715 -0.861 1.00 0.53 C ATOM 1137 C ALA A 76 4.550 11.587 -0.503 1.00 0.55 C ATOM 1138 O ALA A 76 5.090 10.488 -0.557 1.00 0.60 O ATOM 1139 CB ALA A 76 2.169 11.753 0.378 1.00 0.54 C ATOM 0 H ALA A 76 2.318 9.791 -1.199 1.00 0.53 H new ATOM 0 HA ALA A 76 2.944 12.660 -1.390 1.00 0.53 H new ATOM 0 HB1 ALA A 76 2.468 12.583 1.018 1.00 0.54 H new ATOM 0 HB2 ALA A 76 1.131 11.886 0.073 1.00 0.54 H new ATOM 0 HB3 ALA A 76 2.268 10.817 0.928 1.00 0.54 H new ATOM 1145 N GLU A 77 5.214 12.695 -0.157 1.00 0.66 N ATOM 1146 CA GLU A 77 6.660 12.759 0.037 1.00 0.65 C ATOM 1147 C GLU A 77 7.016 13.133 1.477 1.00 0.58 C ATOM 1148 O GLU A 77 6.637 14.204 1.961 1.00 0.68 O ATOM 1149 CB GLU A 77 7.253 13.802 -0.923 1.00 0.84 C ATOM 1150 CG GLU A 77 7.375 13.271 -2.357 1.00 1.00 C ATOM 1151 CD GLU A 77 8.707 12.562 -2.566 1.00 1.69 C ATOM 1152 OE1 GLU A 77 8.927 11.549 -1.868 1.00 2.96 O ATOM 1153 OE2 GLU A 77 9.488 13.056 -3.407 1.00 2.24 O ATOM 0 H GLU A 77 4.748 13.589 -0.002 1.00 0.66 H new ATOM 0 HA GLU A 77 7.077 11.773 -0.169 1.00 0.65 H new ATOM 0 HB2 GLU A 77 6.625 14.693 -0.920 1.00 0.84 H new ATOM 0 HB3 GLU A 77 8.237 14.104 -0.565 1.00 0.84 H new ATOM 0 HG2 GLU A 77 6.556 12.582 -2.564 1.00 1.00 H new ATOM 0 HG3 GLU A 77 7.284 14.096 -3.063 1.00 1.00 H new ATOM 1160 N PHE A 78 7.780 12.262 2.142 1.00 0.51 N ATOM 1161 CA PHE A 78 8.244 12.455 3.504 1.00 0.48 C ATOM 1162 C PHE A 78 9.765 12.563 3.490 1.00 0.46 C ATOM 1163 O PHE A 78 10.440 11.987 2.641 1.00 0.55 O ATOM 1164 CB PHE A 78 7.764 11.307 4.406 1.00 0.53 C ATOM 1165 CG PHE A 78 6.266 11.306 4.657 1.00 0.51 C ATOM 1166 CD1 PHE A 78 5.380 11.087 3.587 1.00 1.89 C ATOM 1167 CD2 PHE A 78 5.746 11.661 5.917 1.00 2.07 C ATOM 1168 CE1 PHE A 78 4.019 11.400 3.722 1.00 1.95 C ATOM 1169 CE2 PHE A 78 4.365 11.869 6.076 1.00 2.06 C ATOM 1170 CZ PHE A 78 3.514 11.810 4.962 1.00 0.73 C ATOM 0 H PHE A 78 8.097 11.384 1.731 1.00 0.51 H new ATOM 0 HA PHE A 78 7.828 13.375 3.914 1.00 0.48 H new ATOM 0 HB2 PHE A 78 8.047 10.358 3.951 1.00 0.53 H new ATOM 0 HB3 PHE A 78 8.283 11.369 5.363 1.00 0.53 H new ATOM 0 HD1 PHE A 78 5.748 10.677 2.658 1.00 1.89 H new ATOM 0 HD2 PHE A 78 6.409 11.774 6.762 1.00 2.07 H new ATOM 0 HE1 PHE A 78 3.361 11.325 2.869 1.00 1.95 H new ATOM 0 HE2 PHE A 78 3.959 12.074 7.056 1.00 2.06 H new ATOM 0 HZ PHE A 78 2.473 12.080 5.061 1.00 0.73 H new ATOM 1180 N ASP A 79 10.297 13.328 4.434 1.00 0.49 N ATOM 1181 CA ASP A 79 11.715 13.502 4.704 1.00 0.51 C ATOM 1182 C ASP A 79 12.075 12.638 5.910 1.00 0.48 C ATOM 1183 O ASP A 79 11.187 12.318 6.697 1.00 0.52 O ATOM 1184 CB ASP A 79 11.922 15.003 4.900 1.00 0.61 C ATOM 1185 CG ASP A 79 13.329 15.419 5.273 1.00 0.75 C ATOM 1186 OD1 ASP A 79 13.743 15.093 6.403 1.00 1.63 O ATOM 1187 OD2 ASP A 79 13.909 16.148 4.435 1.00 1.40 O ATOM 0 H ASP A 79 9.715 13.875 5.068 1.00 0.49 H new ATOM 0 HA ASP A 79 12.377 13.177 3.901 1.00 0.51 H new ATOM 0 HB2 ASP A 79 11.641 15.515 3.980 1.00 0.61 H new ATOM 0 HB3 ASP A 79 11.241 15.349 5.677 1.00 0.61 H new ATOM 1192 N ILE A 80 13.314 12.159 6.026 1.00 0.48 N ATOM 1193 CA ILE A 80 13.724 11.285 7.108 1.00 0.50 C ATOM 1194 C ILE A 80 14.957 11.893 7.748 1.00 0.51 C ATOM 1195 O ILE A 80 15.939 12.146 7.054 1.00 0.55 O ATOM 1196 CB ILE A 80 14.069 9.894 6.578 1.00 0.52 C ATOM 1197 CG1 ILE A 80 13.031 9.385 5.571 1.00 0.53 C ATOM 1198 CG2 ILE A 80 14.165 8.946 7.783 1.00 0.65 C ATOM 1199 CD1 ILE A 80 13.652 8.277 4.749 1.00 0.56 C ATOM 0 H ILE A 80 14.060 12.372 5.364 1.00 0.48 H new ATOM 0 HA ILE A 80 12.912 11.185 7.828 1.00 0.50 H new ATOM 0 HB ILE A 80 15.017 9.938 6.043 1.00 0.52 H new ATOM 0 HG12 ILE A 80 12.147 9.018 6.093 1.00 0.53 H new ATOM 0 HG13 ILE A 80 12.704 10.198 4.923 1.00 0.53 H new ATOM 0 HG21 ILE A 80 14.411 7.942 7.437 1.00 0.65 H new ATOM 0 HG22 ILE A 80 14.943 9.297 8.461 1.00 0.65 H new ATOM 0 HG23 ILE A 80 13.209 8.926 8.307 1.00 0.65 H new ATOM 0 HD11 ILE A 80 12.923 7.906 4.028 1.00 0.56 H new ATOM 0 HD12 ILE A 80 14.523 8.662 4.219 1.00 0.56 H new ATOM 0 HD13 ILE A 80 13.958 7.464 5.407 1.00 0.56 H new ATOM 1211 N GLU A 81 14.930 12.075 9.067 1.00 0.58 N ATOM 1212 CA GLU A 81 16.082 12.631 9.760 1.00 0.68 C ATOM 1213 C GLU A 81 16.791 11.499 10.512 1.00 0.93 C ATOM 1214 O GLU A 81 16.167 10.770 11.285 1.00 1.30 O ATOM 1215 CB GLU A 81 15.606 13.788 10.634 1.00 0.80 C ATOM 1216 CG GLU A 81 16.713 14.546 11.371 1.00 2.15 C ATOM 1217 CD GLU A 81 16.258 14.899 12.784 1.00 2.82 C ATOM 1218 OE1 GLU A 81 15.158 15.482 12.907 1.00 2.84 O ATOM 1219 OE2 GLU A 81 16.965 14.494 13.731 1.00 4.14 O ATOM 0 H GLU A 81 14.136 11.849 9.666 1.00 0.58 H new ATOM 0 HA GLU A 81 16.824 13.051 9.081 1.00 0.68 H new ATOM 0 HB2 GLU A 81 15.059 14.493 10.009 1.00 0.80 H new ATOM 0 HB3 GLU A 81 14.901 13.401 11.370 1.00 0.80 H new ATOM 0 HG2 GLU A 81 17.616 13.936 11.413 1.00 2.15 H new ATOM 0 HG3 GLU A 81 16.967 15.455 10.825 1.00 2.15 H new ATOM 1226 N GLY A 82 18.094 11.352 10.253 1.00 1.61 N ATOM 1227 CA GLY A 82 18.982 10.424 10.942 1.00 2.13 C ATOM 1228 C GLY A 82 18.851 8.980 10.453 1.00 1.16 C ATOM 1229 O GLY A 82 18.835 8.060 11.270 1.00 1.43 O ATOM 0 H GLY A 82 18.571 11.896 9.534 1.00 1.61 H new ATOM 0 HA2 GLY A 82 20.013 10.753 10.809 1.00 2.13 H new ATOM 0 HA3 GLY A 82 18.772 10.458 12.011 1.00 2.13 H new ATOM 1233 N MET A 83 18.782 8.761 9.133 1.00 1.11 N ATOM 1234 CA MET A 83 18.581 7.448 8.548 1.00 0.93 C ATOM 1235 C MET A 83 19.905 6.758 8.187 1.00 1.50 C ATOM 1236 O MET A 83 20.007 5.527 8.176 1.00 3.42 O ATOM 1237 CB MET A 83 17.648 7.578 7.339 1.00 1.38 C ATOM 1238 CG MET A 83 18.324 8.098 6.064 1.00 1.27 C ATOM 1239 SD MET A 83 17.169 8.333 4.695 1.00 2.17 S ATOM 1240 CE MET A 83 18.242 7.986 3.283 1.00 3.04 C ATOM 0 H MET A 83 18.866 9.506 8.441 1.00 1.11 H new ATOM 0 HA MET A 83 18.113 6.802 9.290 1.00 0.93 H new ATOM 0 HB2 MET A 83 17.208 6.603 7.130 1.00 1.38 H new ATOM 0 HB3 MET A 83 16.829 8.248 7.599 1.00 1.38 H new ATOM 0 HG2 MET A 83 18.817 9.045 6.282 1.00 1.27 H new ATOM 0 HG3 MET A 83 19.101 7.397 5.760 1.00 1.27 H new ATOM 0 HE1 MET A 83 17.730 8.260 2.361 1.00 3.04 H new ATOM 0 HE2 MET A 83 19.161 8.565 3.373 1.00 3.04 H new ATOM 0 HE3 MET A 83 18.484 6.923 3.262 1.00 3.04 H new ATOM 1285 N ALA A 87 21.663 1.766 7.510 1.00 1.25 N ATOM 1286 CA ALA A 87 20.677 1.501 6.467 1.00 1.28 C ATOM 1287 C ALA A 87 19.261 1.680 7.006 1.00 0.99 C ATOM 1288 O ALA A 87 18.366 0.888 6.695 1.00 1.05 O ATOM 1289 CB ALA A 87 20.926 0.109 5.868 1.00 1.85 C ATOM 0 HA ALA A 87 20.785 2.225 5.659 1.00 1.28 H new ATOM 0 HB1 ALA A 87 20.190 -0.089 5.089 1.00 1.85 H new ATOM 0 HB2 ALA A 87 21.927 0.071 5.439 1.00 1.85 H new ATOM 0 HB3 ALA A 87 20.838 -0.645 6.650 1.00 1.85 H new ATOM 1295 N CYS A 88 19.032 2.735 7.798 1.00 0.80 N ATOM 1296 CA CYS A 88 17.777 2.813 8.520 1.00 0.57 C ATOM 1297 C CYS A 88 16.669 3.077 7.520 1.00 0.54 C ATOM 1298 O CYS A 88 15.605 2.493 7.636 1.00 0.51 O ATOM 1299 CB CYS A 88 17.797 3.896 9.585 1.00 0.68 C ATOM 1300 SG CYS A 88 19.185 3.680 10.726 1.00 0.75 S ATOM 0 H CYS A 88 19.676 3.512 7.946 1.00 0.80 H new ATOM 0 HA CYS A 88 17.610 1.868 9.038 1.00 0.57 H new ATOM 0 HB2 CYS A 88 17.865 4.874 9.109 1.00 0.68 H new ATOM 0 HB3 CYS A 88 16.860 3.877 10.142 1.00 0.68 H new ATOM 0 HG CYS A 88 18.821 4.031 11.924 1.00 0.75 H new ATOM 1306 N ALA A 89 16.947 3.900 6.503 1.00 0.66 N ATOM 1307 CA ALA A 89 16.060 4.155 5.378 1.00 0.73 C ATOM 1308 C ALA A 89 15.600 2.831 4.776 1.00 0.74 C ATOM 1309 O ALA A 89 14.419 2.638 4.523 1.00 0.74 O ATOM 1310 CB ALA A 89 16.795 4.993 4.327 1.00 0.85 C ATOM 0 H ALA A 89 17.823 4.419 6.444 1.00 0.66 H new ATOM 0 HA ALA A 89 15.184 4.707 5.720 1.00 0.73 H new ATOM 0 HB1 ALA A 89 16.131 5.184 3.484 1.00 0.85 H new ATOM 0 HB2 ALA A 89 17.103 5.941 4.768 1.00 0.85 H new ATOM 0 HB3 ALA A 89 17.675 4.451 3.980 1.00 0.85 H new ATOM 1316 N ASN A 90 16.532 1.900 4.568 1.00 0.81 N ATOM 1317 CA ASN A 90 16.204 0.615 3.972 1.00 0.90 C ATOM 1318 C ASN A 90 15.388 -0.233 4.949 1.00 0.77 C ATOM 1319 O ASN A 90 14.472 -0.946 4.542 1.00 0.75 O ATOM 1320 CB ASN A 90 17.470 -0.103 3.492 1.00 1.22 C ATOM 1321 CG ASN A 90 18.125 0.606 2.307 1.00 1.70 C ATOM 1322 OD1 ASN A 90 17.448 1.141 1.440 1.00 2.48 O ATOM 1323 ND2 ASN A 90 19.453 0.630 2.255 1.00 1.96 N ATOM 0 H ASN A 90 17.517 2.016 4.805 1.00 0.81 H new ATOM 0 HA ASN A 90 15.584 0.782 3.091 1.00 0.90 H new ATOM 0 HB2 ASN A 90 18.183 -0.166 4.314 1.00 1.22 H new ATOM 0 HB3 ASN A 90 17.220 -1.125 3.208 1.00 1.22 H new ATOM 0 HD21 ASN A 90 19.925 1.100 1.483 1.00 1.96 H new ATOM 0 HD22 ASN A 90 20.000 0.178 2.988 1.00 1.96 H new ATOM 1330 N ARG A 91 15.700 -0.172 6.246 1.00 0.78 N ATOM 1331 CA ARG A 91 14.835 -0.792 7.255 1.00 0.78 C ATOM 1332 C ARG A 91 13.405 -0.238 7.195 1.00 0.65 C ATOM 1333 O ARG A 91 12.447 -1.004 7.083 1.00 0.70 O ATOM 1334 CB ARG A 91 15.439 -0.629 8.658 1.00 0.83 C ATOM 1335 CG ARG A 91 16.572 -1.631 8.918 1.00 1.49 C ATOM 1336 CD ARG A 91 16.010 -2.879 9.613 1.00 1.64 C ATOM 1337 NE ARG A 91 17.023 -3.937 9.753 1.00 2.34 N ATOM 1338 CZ ARG A 91 17.288 -4.882 8.836 1.00 3.61 C ATOM 1339 NH1 ARG A 91 16.697 -4.824 7.638 1.00 4.82 N ATOM 1340 NH2 ARG A 91 18.134 -5.878 9.121 1.00 4.34 N ATOM 0 H ARG A 91 16.529 0.291 6.618 1.00 0.78 H new ATOM 0 HA ARG A 91 14.774 -1.857 7.032 1.00 0.78 H new ATOM 0 HB2 ARG A 91 15.820 0.386 8.773 1.00 0.83 H new ATOM 0 HB3 ARG A 91 14.658 -0.763 9.406 1.00 0.83 H new ATOM 0 HG2 ARG A 91 17.047 -1.910 7.977 1.00 1.49 H new ATOM 0 HG3 ARG A 91 17.341 -1.172 9.540 1.00 1.49 H new ATOM 0 HD2 ARG A 91 15.633 -2.606 10.599 1.00 1.64 H new ATOM 0 HD3 ARG A 91 15.164 -3.261 9.042 1.00 1.64 H new ATOM 0 HE ARG A 91 17.567 -3.954 10.615 1.00 2.34 H new ATOM 0 HH11 ARG A 91 16.049 -4.065 7.425 1.00 4.82 H new ATOM 0 HH12 ARG A 91 16.894 -5.538 6.937 1.00 4.82 H new ATOM 0 HH21 ARG A 91 18.580 -5.922 10.037 1.00 4.34 H new ATOM 0 HH22 ARG A 91 18.333 -6.594 8.422 1.00 4.34 H new ATOM 1354 N ILE A 92 13.254 1.084 7.285 1.00 0.54 N ATOM 1355 CA ILE A 92 11.956 1.739 7.276 1.00 0.53 C ATOM 1356 C ILE A 92 11.237 1.497 5.948 1.00 0.51 C ATOM 1357 O ILE A 92 10.040 1.244 5.952 1.00 0.52 O ATOM 1358 CB ILE A 92 12.054 3.213 7.700 1.00 0.66 C ATOM 1359 CG1 ILE A 92 12.808 4.087 6.721 1.00 1.14 C ATOM 1360 CG2 ILE A 92 12.649 3.326 9.115 1.00 1.99 C ATOM 1361 CD1 ILE A 92 12.751 5.549 7.149 1.00 1.64 C ATOM 0 H ILE A 92 14.039 1.731 7.367 1.00 0.54 H new ATOM 0 HA ILE A 92 11.324 1.284 8.038 1.00 0.53 H new ATOM 0 HB ILE A 92 11.034 3.596 7.704 1.00 0.66 H new ATOM 0 HG12 ILE A 92 13.846 3.761 6.660 1.00 1.14 H new ATOM 0 HG13 ILE A 92 12.380 3.978 5.724 1.00 1.14 H new ATOM 0 HG21 ILE A 92 12.712 4.376 9.401 1.00 1.99 H new ATOM 0 HG22 ILE A 92 12.011 2.795 9.822 1.00 1.99 H new ATOM 0 HG23 ILE A 92 13.646 2.887 9.126 1.00 1.99 H new ATOM 0 HD11 ILE A 92 13.299 6.160 6.432 1.00 1.64 H new ATOM 0 HD12 ILE A 92 11.712 5.877 7.186 1.00 1.64 H new ATOM 0 HD13 ILE A 92 13.201 5.657 8.136 1.00 1.64 H new ATOM 1373 N GLU A 93 11.957 1.484 4.826 1.00 0.58 N ATOM 1374 CA GLU A 93 11.446 1.196 3.501 1.00 0.66 C ATOM 1375 C GLU A 93 10.660 -0.104 3.565 1.00 0.63 C ATOM 1376 O GLU A 93 9.469 -0.102 3.284 1.00 0.64 O ATOM 1377 CB GLU A 93 12.636 1.089 2.540 1.00 0.80 C ATOM 1378 CG GLU A 93 12.283 0.631 1.121 1.00 0.84 C ATOM 1379 CD GLU A 93 13.423 -0.126 0.446 1.00 1.57 C ATOM 1380 OE1 GLU A 93 14.058 -0.956 1.138 1.00 2.35 O ATOM 1381 OE2 GLU A 93 13.625 0.099 -0.762 1.00 2.46 O ATOM 0 H GLU A 93 12.957 1.684 4.824 1.00 0.58 H new ATOM 0 HA GLU A 93 10.782 1.983 3.143 1.00 0.66 H new ATOM 0 HB2 GLU A 93 13.124 2.062 2.481 1.00 0.80 H new ATOM 0 HB3 GLU A 93 13.362 0.393 2.960 1.00 0.80 H new ATOM 0 HG2 GLU A 93 11.400 -0.008 1.159 1.00 0.84 H new ATOM 0 HG3 GLU A 93 12.022 1.500 0.517 1.00 0.84 H new ATOM 1388 N LYS A 94 11.300 -1.207 3.975 1.00 0.63 N ATOM 1389 CA LYS A 94 10.617 -2.494 4.066 1.00 0.66 C ATOM 1390 C LYS A 94 9.369 -2.421 4.955 1.00 0.61 C ATOM 1391 O LYS A 94 8.447 -3.215 4.767 1.00 0.66 O ATOM 1392 CB LYS A 94 11.569 -3.612 4.535 1.00 0.67 C ATOM 1393 CG LYS A 94 12.088 -4.464 3.366 1.00 0.84 C ATOM 1394 CD LYS A 94 13.076 -3.722 2.460 1.00 1.32 C ATOM 1395 CE LYS A 94 14.497 -3.714 3.035 1.00 2.41 C ATOM 1396 NZ LYS A 94 15.395 -2.915 2.180 1.00 3.76 N ATOM 0 H LYS A 94 12.283 -1.230 4.246 1.00 0.63 H new ATOM 0 HA LYS A 94 10.284 -2.744 3.059 1.00 0.66 H new ATOM 0 HB2 LYS A 94 12.414 -3.169 5.062 1.00 0.67 H new ATOM 0 HB3 LYS A 94 11.050 -4.254 5.247 1.00 0.67 H new ATOM 0 HG2 LYS A 94 12.572 -5.356 3.764 1.00 0.84 H new ATOM 0 HG3 LYS A 94 11.241 -4.800 2.768 1.00 0.84 H new ATOM 0 HD2 LYS A 94 13.087 -4.191 1.476 1.00 1.32 H new ATOM 0 HD3 LYS A 94 12.737 -2.696 2.320 1.00 1.32 H new ATOM 0 HE2 LYS A 94 14.485 -3.303 4.044 1.00 2.41 H new ATOM 0 HE3 LYS A 94 14.871 -4.735 3.111 1.00 2.41 H new ATOM 0 HZ1 LYS A 94 16.332 -2.849 2.627 1.00 3.76 H new ATOM 0 HZ2 LYS A 94 15.486 -3.372 1.250 1.00 3.76 H new ATOM 0 HZ3 LYS A 94 15.001 -1.960 2.060 1.00 3.76 H new ATOM 1410 N ARG A 95 9.337 -1.510 5.933 1.00 0.53 N ATOM 1411 CA ARG A 95 8.117 -1.287 6.708 1.00 0.48 C ATOM 1412 C ARG A 95 7.077 -0.535 5.862 1.00 0.46 C ATOM 1413 O ARG A 95 6.058 -1.109 5.471 1.00 0.51 O ATOM 1414 CB ARG A 95 8.425 -0.574 8.030 1.00 0.45 C ATOM 1415 CG ARG A 95 9.489 -1.288 8.875 1.00 1.08 C ATOM 1416 CD ARG A 95 8.886 -2.282 9.879 1.00 1.06 C ATOM 1417 NE ARG A 95 8.402 -3.521 9.252 1.00 1.79 N ATOM 1418 CZ ARG A 95 9.174 -4.584 8.981 1.00 2.91 C ATOM 1419 NH1 ARG A 95 10.505 -4.473 9.051 1.00 4.09 N ATOM 1420 NH2 ARG A 95 8.612 -5.753 8.655 1.00 3.84 N ATOM 0 H ARG A 95 10.128 -0.925 6.202 1.00 0.53 H new ATOM 0 HA ARG A 95 7.685 -2.253 6.971 1.00 0.48 H new ATOM 0 HB2 ARG A 95 8.762 0.441 7.817 1.00 0.45 H new ATOM 0 HB3 ARG A 95 7.507 -0.490 8.611 1.00 0.45 H new ATOM 0 HG2 ARG A 95 10.175 -1.818 8.214 1.00 1.08 H new ATOM 0 HG3 ARG A 95 10.076 -0.545 9.415 1.00 1.08 H new ATOM 0 HD2 ARG A 95 9.637 -2.532 10.628 1.00 1.06 H new ATOM 0 HD3 ARG A 95 8.060 -1.802 10.404 1.00 1.06 H new ATOM 0 HE ARG A 95 7.413 -3.576 9.007 1.00 1.79 H new ATOM 0 HH11 ARG A 95 10.930 -3.582 9.310 1.00 4.09 H new ATOM 0 HH12 ARG A 95 11.095 -5.279 8.846 1.00 4.09 H new ATOM 0 HH21 ARG A 95 7.596 -5.836 8.612 1.00 3.84 H new ATOM 0 HH22 ARG A 95 9.199 -6.561 8.449 1.00 3.84 H new ATOM 1434 N LEU A 96 7.356 0.744 5.579 1.00 0.44 N ATOM 1435 CA LEU A 96 6.541 1.668 4.793 1.00 0.51 C ATOM 1436 C LEU A 96 5.961 1.000 3.548 1.00 0.57 C ATOM 1437 O LEU A 96 4.799 1.222 3.234 1.00 0.68 O ATOM 1438 CB LEU A 96 7.341 2.933 4.457 1.00 0.55 C ATOM 1439 CG LEU A 96 7.325 3.946 5.622 1.00 0.56 C ATOM 1440 CD1 LEU A 96 8.713 4.193 6.211 1.00 1.22 C ATOM 1441 CD2 LEU A 96 6.708 5.268 5.156 1.00 1.93 C ATOM 0 H LEU A 96 8.212 1.185 5.916 1.00 0.44 H new ATOM 0 HA LEU A 96 5.686 1.967 5.400 1.00 0.51 H new ATOM 0 HB2 LEU A 96 8.371 2.661 4.225 1.00 0.55 H new ATOM 0 HB3 LEU A 96 6.926 3.399 3.564 1.00 0.55 H new ATOM 0 HG LEU A 96 6.717 3.511 6.416 1.00 0.56 H new ATOM 0 HD11 LEU A 96 8.640 4.913 7.026 1.00 1.22 H new ATOM 0 HD12 LEU A 96 9.119 3.256 6.591 1.00 1.22 H new ATOM 0 HD13 LEU A 96 9.372 4.587 5.437 1.00 1.22 H new ATOM 0 HD21 LEU A 96 6.700 5.978 5.983 1.00 1.93 H new ATOM 0 HD22 LEU A 96 7.297 5.675 4.334 1.00 1.93 H new ATOM 0 HD23 LEU A 96 5.687 5.094 4.818 1.00 1.93 H new ATOM 1453 N ASN A 97 6.750 0.146 2.889 1.00 0.54 N ATOM 1454 CA ASN A 97 6.383 -0.698 1.754 1.00 0.62 C ATOM 1455 C ASN A 97 4.938 -1.185 1.832 1.00 0.68 C ATOM 1456 O ASN A 97 4.237 -1.216 0.826 1.00 0.72 O ATOM 1457 CB ASN A 97 7.312 -1.921 1.716 1.00 0.69 C ATOM 1458 CG ASN A 97 7.327 -2.593 0.351 1.00 0.79 C ATOM 1459 OD1 ASN A 97 6.649 -3.590 0.129 1.00 1.20 O ATOM 1460 ND2 ASN A 97 8.152 -2.078 -0.556 1.00 1.08 N ATOM 0 H ASN A 97 7.727 0.020 3.154 1.00 0.54 H new ATOM 0 HA ASN A 97 6.485 -0.094 0.852 1.00 0.62 H new ATOM 0 HB2 ASN A 97 8.324 -1.614 1.978 1.00 0.69 H new ATOM 0 HB3 ASN A 97 6.992 -2.641 2.469 1.00 0.69 H new ATOM 0 HD21 ASN A 97 8.237 -2.514 -1.474 1.00 1.08 H new ATOM 0 HD22 ASN A 97 8.700 -1.247 -0.334 1.00 1.08 H new ATOM 1467 N LYS A 98 4.528 -1.604 3.033 1.00 0.70 N ATOM 1468 CA LYS A 98 3.214 -2.142 3.323 1.00 0.68 C ATOM 1469 C LYS A 98 3.060 -2.226 4.841 1.00 0.68 C ATOM 1470 O LYS A 98 3.187 -3.305 5.423 1.00 0.90 O ATOM 1471 CB LYS A 98 3.004 -3.490 2.623 1.00 0.79 C ATOM 1472 CG LYS A 98 4.283 -4.341 2.672 1.00 1.18 C ATOM 1473 CD LYS A 98 3.941 -5.825 2.753 1.00 1.84 C ATOM 1474 CE LYS A 98 3.609 -6.287 4.181 1.00 2.82 C ATOM 1475 NZ LYS A 98 4.777 -6.185 5.077 1.00 3.84 N ATOM 0 H LYS A 98 5.132 -1.573 3.854 1.00 0.70 H new ATOM 0 HA LYS A 98 2.436 -1.487 2.931 1.00 0.68 H new ATOM 0 HB2 LYS A 98 2.186 -4.029 3.101 1.00 0.79 H new ATOM 0 HB3 LYS A 98 2.713 -3.324 1.586 1.00 0.79 H new ATOM 0 HG2 LYS A 98 4.887 -4.150 1.785 1.00 1.18 H new ATOM 0 HG3 LYS A 98 4.884 -4.054 3.535 1.00 1.18 H new ATOM 0 HD2 LYS A 98 3.091 -6.032 2.103 1.00 1.84 H new ATOM 0 HD3 LYS A 98 4.781 -6.407 2.375 1.00 1.84 H new ATOM 0 HE2 LYS A 98 2.793 -5.683 4.578 1.00 2.82 H new ATOM 0 HE3 LYS A 98 3.259 -7.319 4.157 1.00 2.82 H new ATOM 0 HZ1 LYS A 98 4.634 -6.798 5.905 1.00 3.84 H new ATOM 0 HZ2 LYS A 98 5.633 -6.485 4.568 1.00 3.84 H new ATOM 0 HZ3 LYS A 98 4.889 -5.200 5.391 1.00 3.84 H new ATOM 1489 N ILE A 99 2.815 -1.071 5.465 1.00 0.58 N ATOM 1490 CA ILE A 99 2.377 -0.986 6.855 1.00 0.65 C ATOM 1491 C ILE A 99 0.953 -1.537 6.931 1.00 0.73 C ATOM 1492 O ILE A 99 0.701 -2.521 7.620 1.00 1.10 O ATOM 1493 CB ILE A 99 2.436 0.473 7.351 1.00 0.61 C ATOM 1494 CG1 ILE A 99 3.863 1.037 7.318 1.00 0.78 C ATOM 1495 CG2 ILE A 99 1.839 0.630 8.754 1.00 0.81 C ATOM 1496 CD1 ILE A 99 4.798 0.492 8.399 1.00 1.39 C ATOM 0 H ILE A 99 2.917 -0.162 5.013 1.00 0.58 H new ATOM 0 HA ILE A 99 3.034 -1.571 7.499 1.00 0.65 H new ATOM 0 HB ILE A 99 1.827 1.051 6.656 1.00 0.61 H new ATOM 0 HG12 ILE A 99 4.299 0.826 6.341 1.00 0.78 H new ATOM 0 HG13 ILE A 99 3.811 2.121 7.416 1.00 0.78 H new ATOM 0 HG21 ILE A 99 1.902 1.674 9.062 1.00 0.81 H new ATOM 0 HG22 ILE A 99 0.795 0.318 8.742 1.00 0.81 H new ATOM 0 HG23 ILE A 99 2.395 0.010 9.457 1.00 0.81 H new ATOM 0 HD11 ILE A 99 5.782 0.949 8.294 1.00 1.39 H new ATOM 0 HD12 ILE A 99 4.392 0.727 9.383 1.00 1.39 H new ATOM 0 HD13 ILE A 99 4.887 -0.589 8.292 1.00 1.39 H new ATOM 1508 N GLU A 100 0.049 -0.884 6.194 1.00 0.64 N ATOM 1509 CA GLU A 100 -1.362 -1.213 6.096 1.00 0.66 C ATOM 1510 C GLU A 100 -1.784 -0.949 4.637 1.00 0.66 C ATOM 1511 O GLU A 100 -1.219 -1.578 3.740 1.00 1.04 O ATOM 1512 CB GLU A 100 -2.131 -0.469 7.218 1.00 0.76 C ATOM 1513 CG GLU A 100 -2.846 -1.459 8.146 1.00 0.85 C ATOM 1514 CD GLU A 100 -3.996 -2.184 7.456 1.00 2.33 C ATOM 1515 OE1 GLU A 100 -4.157 -1.967 6.235 1.00 3.43 O ATOM 1516 OE2 GLU A 100 -4.688 -2.935 8.176 1.00 3.04 O ATOM 0 H GLU A 100 0.301 -0.075 5.626 1.00 0.64 H new ATOM 0 HA GLU A 100 -1.603 -2.260 6.281 1.00 0.66 H new ATOM 0 HB2 GLU A 100 -1.437 0.141 7.797 1.00 0.76 H new ATOM 0 HB3 GLU A 100 -2.859 0.211 6.775 1.00 0.76 H new ATOM 0 HG2 GLU A 100 -2.127 -2.192 8.512 1.00 0.85 H new ATOM 0 HG3 GLU A 100 -3.228 -0.925 9.016 1.00 0.85 H new ATOM 1523 N GLY A 101 -2.659 0.020 4.344 1.00 0.51 N ATOM 1524 CA GLY A 101 -3.138 0.312 3.001 1.00 0.52 C ATOM 1525 C GLY A 101 -2.143 1.160 2.219 1.00 0.52 C ATOM 1526 O GLY A 101 -2.483 2.236 1.723 1.00 0.65 O ATOM 0 H GLY A 101 -3.059 0.633 5.055 1.00 0.51 H new ATOM 0 HA2 GLY A 101 -3.318 -0.622 2.468 1.00 0.52 H new ATOM 0 HA3 GLY A 101 -4.093 0.834 3.061 1.00 0.52 H new ATOM 1530 N VAL A 102 -0.911 0.659 2.124 1.00 0.49 N ATOM 1531 CA VAL A 102 0.193 1.268 1.403 1.00 0.48 C ATOM 1532 C VAL A 102 0.481 0.414 0.173 1.00 0.50 C ATOM 1533 O VAL A 102 0.763 -0.777 0.301 1.00 0.54 O ATOM 1534 CB VAL A 102 1.418 1.440 2.314 1.00 0.48 C ATOM 1535 CG1 VAL A 102 2.466 2.307 1.608 1.00 0.53 C ATOM 1536 CG2 VAL A 102 1.053 2.036 3.680 1.00 0.45 C ATOM 0 H VAL A 102 -0.650 -0.221 2.569 1.00 0.49 H new ATOM 0 HA VAL A 102 -0.069 2.274 1.075 1.00 0.48 H new ATOM 0 HB VAL A 102 1.831 0.450 2.506 1.00 0.48 H new ATOM 0 HG11 VAL A 102 3.334 2.428 2.256 1.00 0.53 H new ATOM 0 HG12 VAL A 102 2.771 1.825 0.679 1.00 0.53 H new ATOM 0 HG13 VAL A 102 2.039 3.285 1.387 1.00 0.53 H new ATOM 0 HG21 VAL A 102 1.954 2.137 4.285 1.00 0.45 H new ATOM 0 HG22 VAL A 102 0.599 3.017 3.539 1.00 0.45 H new ATOM 0 HG23 VAL A 102 0.347 1.378 4.187 1.00 0.45 H new ATOM 1546 N ALA A 103 0.376 1.014 -1.016 1.00 0.51 N ATOM 1547 CA ALA A 103 0.668 0.336 -2.266 1.00 0.53 C ATOM 1548 C ALA A 103 2.175 0.216 -2.446 1.00 0.53 C ATOM 1549 O ALA A 103 2.673 -0.854 -2.787 1.00 0.58 O ATOM 1550 CB ALA A 103 0.055 1.082 -3.454 1.00 0.57 C ATOM 0 H ALA A 103 0.085 1.985 -1.131 1.00 0.51 H new ATOM 0 HA ALA A 103 0.226 -0.660 -2.228 1.00 0.53 H new ATOM 0 HB1 ALA A 103 0.290 0.552 -4.377 1.00 0.57 H new ATOM 0 HB2 ALA A 103 -1.027 1.135 -3.331 1.00 0.57 H new ATOM 0 HB3 ALA A 103 0.465 2.091 -3.501 1.00 0.57 H new ATOM 1556 N ASN A 104 2.887 1.329 -2.243 1.00 0.52 N ATOM 1557 CA ASN A 104 4.328 1.410 -2.460 1.00 0.57 C ATOM 1558 C ASN A 104 4.915 2.418 -1.486 1.00 0.50 C ATOM 1559 O ASN A 104 4.188 3.222 -0.905 1.00 0.47 O ATOM 1560 CB ASN A 104 4.666 1.867 -3.889 1.00 0.68 C ATOM 1561 CG ASN A 104 4.218 0.893 -4.966 1.00 0.72 C ATOM 1562 OD1 ASN A 104 4.731 -0.218 -5.056 1.00 0.78 O ATOM 1563 ND2 ASN A 104 3.284 1.311 -5.810 1.00 0.76 N ATOM 0 H ASN A 104 2.473 2.204 -1.921 1.00 0.52 H new ATOM 0 HA ASN A 104 4.747 0.416 -2.307 1.00 0.57 H new ATOM 0 HB2 ASN A 104 4.199 2.835 -4.071 1.00 0.68 H new ATOM 0 HB3 ASN A 104 5.743 2.012 -3.969 1.00 0.68 H new ATOM 0 HD21 ASN A 104 2.969 0.702 -6.565 1.00 0.76 H new ATOM 0 HD22 ASN A 104 2.880 2.242 -5.704 1.00 0.76 H new ATOM 1570 N ALA A 105 6.243 2.409 -1.356 1.00 0.52 N ATOM 1571 CA ALA A 105 6.956 3.425 -0.591 1.00 0.53 C ATOM 1572 C ALA A 105 8.462 3.417 -0.889 1.00 0.51 C ATOM 1573 O ALA A 105 9.237 2.915 -0.075 1.00 0.48 O ATOM 1574 CB ALA A 105 6.706 3.243 0.910 1.00 0.59 C ATOM 0 H ALA A 105 6.847 1.702 -1.775 1.00 0.52 H new ATOM 0 HA ALA A 105 6.567 4.396 -0.899 1.00 0.53 H new ATOM 0 HB1 ALA A 105 7.246 4.010 1.465 1.00 0.59 H new ATOM 0 HB2 ALA A 105 5.639 3.331 1.114 1.00 0.59 H new ATOM 0 HB3 ALA A 105 7.055 2.258 1.220 1.00 0.59 H new ATOM 1580 N PRO A 106 8.904 3.922 -2.051 1.00 0.58 N ATOM 1581 CA PRO A 106 10.314 3.930 -2.410 1.00 0.58 C ATOM 1582 C PRO A 106 11.085 4.975 -1.590 1.00 0.51 C ATOM 1583 O PRO A 106 10.576 6.064 -1.322 1.00 0.52 O ATOM 1584 CB PRO A 106 10.344 4.221 -3.913 1.00 0.68 C ATOM 1585 CG PRO A 106 9.080 5.048 -4.138 1.00 0.74 C ATOM 1586 CD PRO A 106 8.090 4.464 -3.127 1.00 0.69 C ATOM 0 HA PRO A 106 10.805 2.982 -2.190 1.00 0.58 H new ATOM 0 HB2 PRO A 106 11.241 4.772 -4.198 1.00 0.68 H new ATOM 0 HB3 PRO A 106 10.334 3.303 -4.500 1.00 0.68 H new ATOM 0 HG2 PRO A 106 9.257 6.109 -3.961 1.00 0.74 H new ATOM 0 HG3 PRO A 106 8.714 4.953 -5.160 1.00 0.74 H new ATOM 0 HD2 PRO A 106 7.410 5.231 -2.756 1.00 0.69 H new ATOM 0 HD3 PRO A 106 7.476 3.688 -3.583 1.00 0.69 H new ATOM 1594 N VAL A 107 12.314 4.621 -1.190 1.00 0.52 N ATOM 1595 CA VAL A 107 13.192 5.432 -0.358 1.00 0.48 C ATOM 1596 C VAL A 107 14.282 6.103 -1.202 1.00 0.60 C ATOM 1597 O VAL A 107 14.705 5.565 -2.224 1.00 0.78 O ATOM 1598 CB VAL A 107 13.757 4.564 0.779 1.00 0.51 C ATOM 1599 CG1 VAL A 107 14.719 3.471 0.288 1.00 2.68 C ATOM 1600 CG2 VAL A 107 14.448 5.404 1.852 1.00 2.52 C ATOM 0 H VAL A 107 12.733 3.728 -1.450 1.00 0.52 H new ATOM 0 HA VAL A 107 12.626 6.245 0.097 1.00 0.48 H new ATOM 0 HB VAL A 107 12.888 4.071 1.215 1.00 0.51 H new ATOM 0 HG11 VAL A 107 15.081 2.895 1.140 1.00 2.68 H new ATOM 0 HG12 VAL A 107 14.196 2.809 -0.402 1.00 2.68 H new ATOM 0 HG13 VAL A 107 15.564 3.933 -0.223 1.00 2.68 H new ATOM 0 HG21 VAL A 107 14.832 4.750 2.635 1.00 2.52 H new ATOM 0 HG22 VAL A 107 15.274 5.958 1.405 1.00 2.52 H new ATOM 0 HG23 VAL A 107 13.732 6.104 2.283 1.00 2.52 H new ATOM 1610 N ASN A 108 14.738 7.281 -0.768 1.00 0.67 N ATOM 1611 CA ASN A 108 15.595 8.176 -1.533 1.00 0.89 C ATOM 1612 C ASN A 108 16.866 8.488 -0.750 1.00 1.06 C ATOM 1613 O ASN A 108 16.958 9.497 -0.044 1.00 2.16 O ATOM 1614 CB ASN A 108 14.853 9.478 -1.795 1.00 1.08 C ATOM 1615 CG ASN A 108 13.691 9.335 -2.770 1.00 1.27 C ATOM 1616 OD1 ASN A 108 12.696 8.685 -2.470 1.00 1.62 O ATOM 1617 ND2 ASN A 108 13.808 9.935 -3.951 1.00 1.65 N ATOM 0 H ASN A 108 14.510 7.645 0.157 1.00 0.67 H new ATOM 0 HA ASN A 108 15.859 7.692 -2.473 1.00 0.89 H new ATOM 0 HB2 ASN A 108 14.476 9.868 -0.849 1.00 1.08 H new ATOM 0 HB3 ASN A 108 15.556 10.214 -2.186 1.00 1.08 H new ATOM 0 HD21 ASN A 108 13.057 9.861 -4.637 1.00 1.65 H new ATOM 0 HD22 ASN A 108 14.649 10.469 -4.171 1.00 1.65 H new ATOM 1624 N PHE A 109 17.884 7.658 -0.967 1.00 0.76 N ATOM 1625 CA PHE A 109 19.215 7.792 -0.391 1.00 0.75 C ATOM 1626 C PHE A 109 19.934 9.088 -0.764 1.00 0.86 C ATOM 1627 O PHE A 109 20.975 9.381 -0.185 1.00 1.27 O ATOM 1628 CB PHE A 109 20.074 6.577 -0.782 1.00 0.80 C ATOM 1629 CG PHE A 109 20.338 5.685 0.403 1.00 0.92 C ATOM 1630 CD1 PHE A 109 19.387 4.719 0.773 1.00 2.19 C ATOM 1631 CD2 PHE A 109 21.372 6.028 1.291 1.00 1.93 C ATOM 1632 CE1 PHE A 109 19.483 4.086 2.021 1.00 2.45 C ATOM 1633 CE2 PHE A 109 21.468 5.395 2.538 1.00 1.95 C ATOM 1634 CZ PHE A 109 20.526 4.417 2.905 1.00 1.46 C ATOM 0 H PHE A 109 17.798 6.842 -1.573 1.00 0.76 H new ATOM 0 HA PHE A 109 19.076 7.833 0.689 1.00 0.75 H new ATOM 0 HB2 PHE A 109 19.568 6.008 -1.562 1.00 0.80 H new ATOM 0 HB3 PHE A 109 21.021 6.919 -1.200 1.00 0.80 H new ATOM 0 HD1 PHE A 109 18.584 4.464 0.098 1.00 2.19 H new ATOM 0 HD2 PHE A 109 22.094 6.781 1.012 1.00 1.93 H new ATOM 0 HE1 PHE A 109 18.753 3.342 2.304 1.00 2.45 H new ATOM 0 HE2 PHE A 109 22.265 5.658 3.217 1.00 1.95 H new ATOM 0 HZ PHE A 109 20.603 3.922 3.862 1.00 1.46 H new ATOM 1644 N ALA A 110 19.426 9.831 -1.749 1.00 0.72 N ATOM 1645 CA ALA A 110 20.103 11.006 -2.268 1.00 0.87 C ATOM 1646 C ALA A 110 19.628 12.265 -1.547 1.00 0.87 C ATOM 1647 O ALA A 110 20.411 13.192 -1.362 1.00 1.09 O ATOM 1648 CB ALA A 110 19.856 11.107 -3.774 1.00 1.05 C ATOM 0 H ALA A 110 18.535 9.630 -2.204 1.00 0.72 H new ATOM 0 HA ALA A 110 21.175 10.913 -2.091 1.00 0.87 H new ATOM 0 HB1 ALA A 110 20.363 11.988 -4.168 1.00 1.05 H new ATOM 0 HB2 ALA A 110 20.243 10.215 -4.267 1.00 1.05 H new ATOM 0 HB3 ALA A 110 18.786 11.190 -3.962 1.00 1.05 H new ATOM 1654 N LEU A 111 18.342 12.307 -1.177 1.00 0.82 N ATOM 1655 CA LEU A 111 17.732 13.471 -0.538 1.00 0.94 C ATOM 1656 C LEU A 111 17.400 13.194 0.932 1.00 0.82 C ATOM 1657 O LEU A 111 16.985 14.117 1.627 1.00 0.89 O ATOM 1658 CB LEU A 111 16.480 13.957 -1.298 1.00 1.20 C ATOM 1659 CG LEU A 111 16.389 13.566 -2.783 1.00 1.14 C ATOM 1660 CD1 LEU A 111 15.028 14.003 -3.340 1.00 1.39 C ATOM 1661 CD2 LEU A 111 17.513 14.198 -3.619 1.00 1.08 C ATOM 0 H LEU A 111 17.696 11.530 -1.315 1.00 0.82 H new ATOM 0 HA LEU A 111 18.470 14.272 -0.574 1.00 0.94 H new ATOM 0 HB2 LEU A 111 15.598 13.570 -0.788 1.00 1.20 H new ATOM 0 HB3 LEU A 111 16.437 15.044 -1.227 1.00 1.20 H new ATOM 0 HG LEU A 111 16.499 12.484 -2.849 1.00 1.14 H new ATOM 0 HD11 LEU A 111 14.960 13.727 -4.392 1.00 1.39 H new ATOM 0 HD12 LEU A 111 14.232 13.509 -2.783 1.00 1.39 H new ATOM 0 HD13 LEU A 111 14.924 15.083 -3.240 1.00 1.39 H new ATOM 0 HD21 LEU A 111 17.407 13.893 -4.660 1.00 1.08 H new ATOM 0 HD22 LEU A 111 17.451 15.284 -3.550 1.00 1.08 H new ATOM 0 HD23 LEU A 111 18.479 13.865 -3.240 1.00 1.08 H new ATOM 1673 N GLU A 112 17.520 11.937 1.383 1.00 0.72 N ATOM 1674 CA GLU A 112 17.147 11.504 2.722 1.00 0.70 C ATOM 1675 C GLU A 112 15.638 11.663 2.894 1.00 0.64 C ATOM 1676 O GLU A 112 15.140 12.272 3.840 1.00 0.70 O ATOM 1677 CB GLU A 112 18.009 12.172 3.804 1.00 0.83 C ATOM 1678 CG GLU A 112 19.492 11.828 3.593 1.00 0.96 C ATOM 1679 CD GLU A 112 20.362 12.423 4.689 1.00 1.75 C ATOM 1680 OE1 GLU A 112 20.286 11.887 5.817 1.00 2.60 O ATOM 1681 OE2 GLU A 112 21.090 13.390 4.377 1.00 2.70 O ATOM 0 H GLU A 112 17.889 11.181 0.807 1.00 0.72 H new ATOM 0 HA GLU A 112 17.364 10.444 2.852 1.00 0.70 H new ATOM 0 HB2 GLU A 112 17.871 13.253 3.772 1.00 0.83 H new ATOM 0 HB3 GLU A 112 17.688 11.839 4.791 1.00 0.83 H new ATOM 0 HG2 GLU A 112 19.617 10.745 3.575 1.00 0.96 H new ATOM 0 HG3 GLU A 112 19.819 12.203 2.623 1.00 0.96 H new ATOM 1688 N THR A 113 14.912 11.097 1.928 1.00 0.61 N ATOM 1689 CA THR A 113 13.463 11.170 1.843 1.00 0.58 C ATOM 1690 C THR A 113 12.908 9.771 1.588 1.00 0.58 C ATOM 1691 O THR A 113 13.656 8.841 1.281 1.00 0.75 O ATOM 1692 CB THR A 113 13.044 12.181 0.753 1.00 0.65 C ATOM 1693 OG1 THR A 113 13.725 11.924 -0.448 1.00 1.00 O ATOM 1694 CG2 THR A 113 13.397 13.625 1.114 1.00 0.90 C ATOM 0 H THR A 113 15.332 10.563 1.167 1.00 0.61 H new ATOM 0 HA THR A 113 13.045 11.530 2.783 1.00 0.58 H new ATOM 0 HB THR A 113 11.964 12.065 0.658 1.00 0.65 H new ATOM 0 HG1 THR A 113 13.240 12.336 -1.194 1.00 1.00 H new ATOM 0 HG21 THR A 113 13.078 14.289 0.311 1.00 0.90 H new ATOM 0 HG22 THR A 113 12.890 13.904 2.038 1.00 0.90 H new ATOM 0 HG23 THR A 113 14.475 13.713 1.251 1.00 0.90 H new ATOM 1702 N VAL A 114 11.596 9.624 1.738 1.00 0.48 N ATOM 1703 CA VAL A 114 10.845 8.454 1.327 1.00 0.48 C ATOM 1704 C VAL A 114 9.511 8.928 0.767 1.00 0.50 C ATOM 1705 O VAL A 114 8.806 9.706 1.414 1.00 0.55 O ATOM 1706 CB VAL A 114 10.705 7.457 2.495 1.00 0.52 C ATOM 1707 CG1 VAL A 114 10.073 8.068 3.755 1.00 0.53 C ATOM 1708 CG2 VAL A 114 9.925 6.193 2.119 1.00 0.62 C ATOM 0 H VAL A 114 11.011 10.343 2.164 1.00 0.48 H new ATOM 0 HA VAL A 114 11.368 7.905 0.544 1.00 0.48 H new ATOM 0 HB VAL A 114 11.736 7.185 2.722 1.00 0.52 H new ATOM 0 HG11 VAL A 114 10.007 7.308 4.534 1.00 0.53 H new ATOM 0 HG12 VAL A 114 10.689 8.895 4.107 1.00 0.53 H new ATOM 0 HG13 VAL A 114 9.074 8.435 3.520 1.00 0.53 H new ATOM 0 HG21 VAL A 114 9.862 5.533 2.984 1.00 0.62 H new ATOM 0 HG22 VAL A 114 8.920 6.467 1.798 1.00 0.62 H new ATOM 0 HG23 VAL A 114 10.437 5.678 1.306 1.00 0.62 H new ATOM 1718 N THR A 115 9.160 8.444 -0.421 1.00 0.53 N ATOM 1719 CA THR A 115 7.831 8.637 -0.951 1.00 0.59 C ATOM 1720 C THR A 115 6.980 7.548 -0.309 1.00 0.58 C ATOM 1721 O THR A 115 7.440 6.416 -0.181 1.00 0.75 O ATOM 1722 CB THR A 115 7.862 8.463 -2.471 1.00 0.64 C ATOM 1723 OG1 THR A 115 8.928 9.188 -3.043 1.00 0.62 O ATOM 1724 CG2 THR A 115 6.544 8.888 -3.116 1.00 0.80 C ATOM 0 H THR A 115 9.785 7.915 -1.029 1.00 0.53 H new ATOM 0 HA THR A 115 7.436 9.631 -0.739 1.00 0.59 H new ATOM 0 HB THR A 115 8.011 7.401 -2.665 1.00 0.64 H new ATOM 0 HG1 THR A 115 9.042 10.035 -2.563 1.00 0.62 H new ATOM 0 HG21 THR A 115 6.606 8.750 -4.195 1.00 0.80 H new ATOM 0 HG22 THR A 115 5.732 8.280 -2.718 1.00 0.80 H new ATOM 0 HG23 THR A 115 6.353 9.938 -2.895 1.00 0.80 H new ATOM 1732 N VAL A 116 5.756 7.875 0.089 1.00 0.48 N ATOM 1733 CA VAL A 116 4.770 6.905 0.536 1.00 0.41 C ATOM 1734 C VAL A 116 3.586 6.975 -0.429 1.00 0.44 C ATOM 1735 O VAL A 116 3.032 8.052 -0.650 1.00 0.48 O ATOM 1736 CB VAL A 116 4.401 7.159 2.007 1.00 0.42 C ATOM 1737 CG1 VAL A 116 3.673 8.491 2.216 1.00 0.54 C ATOM 1738 CG2 VAL A 116 3.570 5.996 2.560 1.00 0.52 C ATOM 0 H VAL A 116 5.418 8.837 0.110 1.00 0.48 H new ATOM 0 HA VAL A 116 5.159 5.887 0.515 1.00 0.41 H new ATOM 0 HB VAL A 116 5.338 7.225 2.561 1.00 0.42 H new ATOM 0 HG11 VAL A 116 3.438 8.615 3.273 1.00 0.54 H new ATOM 0 HG12 VAL A 116 4.312 9.310 1.887 1.00 0.54 H new ATOM 0 HG13 VAL A 116 2.750 8.496 1.636 1.00 0.54 H new ATOM 0 HG21 VAL A 116 3.318 6.192 3.602 1.00 0.52 H new ATOM 0 HG22 VAL A 116 2.654 5.894 1.978 1.00 0.52 H new ATOM 0 HG23 VAL A 116 4.146 5.073 2.494 1.00 0.52 H new ATOM 1748 N GLU A 117 3.226 5.839 -1.028 1.00 0.49 N ATOM 1749 CA GLU A 117 2.073 5.704 -1.899 1.00 0.54 C ATOM 1750 C GLU A 117 1.049 4.876 -1.134 1.00 0.52 C ATOM 1751 O GLU A 117 1.106 3.645 -1.153 1.00 0.50 O ATOM 1752 CB GLU A 117 2.479 4.994 -3.205 1.00 0.62 C ATOM 1753 CG GLU A 117 2.296 5.893 -4.427 1.00 0.85 C ATOM 1754 CD GLU A 117 2.287 5.128 -5.747 1.00 1.45 C ATOM 1755 OE1 GLU A 117 2.570 3.909 -5.717 1.00 2.04 O ATOM 1756 OE2 GLU A 117 1.994 5.790 -6.763 1.00 2.50 O ATOM 0 H GLU A 117 3.746 4.969 -0.913 1.00 0.49 H new ATOM 0 HA GLU A 117 1.662 6.676 -2.171 1.00 0.54 H new ATOM 0 HB2 GLU A 117 3.521 4.681 -3.138 1.00 0.62 H new ATOM 0 HB3 GLU A 117 1.882 4.090 -3.327 1.00 0.62 H new ATOM 0 HG2 GLU A 117 1.360 6.442 -4.328 1.00 0.85 H new ATOM 0 HG3 GLU A 117 3.098 6.631 -4.449 1.00 0.85 H new ATOM 1763 N TYR A 118 0.130 5.541 -0.433 1.00 0.54 N ATOM 1764 CA TYR A 118 -0.854 4.870 0.398 1.00 0.52 C ATOM 1765 C TYR A 118 -2.214 5.516 0.240 1.00 0.54 C ATOM 1766 O TYR A 118 -2.328 6.574 -0.383 1.00 0.62 O ATOM 1767 CB TYR A 118 -0.420 4.897 1.868 1.00 0.52 C ATOM 1768 CG TYR A 118 -0.642 6.206 2.598 1.00 0.50 C ATOM 1769 CD1 TYR A 118 0.152 7.328 2.309 1.00 1.82 C ATOM 1770 CD2 TYR A 118 -1.626 6.291 3.599 1.00 2.02 C ATOM 1771 CE1 TYR A 118 0.034 8.498 3.079 1.00 1.83 C ATOM 1772 CE2 TYR A 118 -1.757 7.468 4.352 1.00 2.01 C ATOM 1773 CZ TYR A 118 -0.909 8.559 4.117 1.00 0.47 C ATOM 1774 OH TYR A 118 -1.010 9.674 4.897 1.00 0.53 O ATOM 0 H TYR A 118 0.052 6.558 -0.429 1.00 0.54 H new ATOM 0 HA TYR A 118 -0.925 3.832 0.075 1.00 0.52 H new ATOM 0 HB2 TYR A 118 -0.956 4.111 2.400 1.00 0.52 H new ATOM 0 HB3 TYR A 118 0.640 4.650 1.919 1.00 0.52 H new ATOM 0 HD1 TYR A 118 0.857 7.292 1.491 1.00 1.82 H new ATOM 0 HD2 TYR A 118 -2.280 5.452 3.788 1.00 2.02 H new ATOM 0 HE1 TYR A 118 0.667 9.348 2.872 1.00 1.83 H new ATOM 0 HE2 TYR A 118 -2.516 7.534 5.117 1.00 2.01 H new ATOM 0 HH TYR A 118 -1.912 10.048 4.817 1.00 0.53 H new ATOM 1784 N ASN A 119 -3.237 4.850 0.778 1.00 0.51 N ATOM 1785 CA ASN A 119 -4.585 5.381 0.757 1.00 0.54 C ATOM 1786 C ASN A 119 -4.787 6.290 1.973 1.00 0.52 C ATOM 1787 O ASN A 119 -4.907 5.776 3.089 1.00 0.56 O ATOM 1788 CB ASN A 119 -5.621 4.253 0.749 1.00 0.67 C ATOM 1789 CG ASN A 119 -7.021 4.858 0.758 1.00 1.11 C ATOM 1790 OD1 ASN A 119 -7.197 6.045 0.508 1.00 1.79 O ATOM 1791 ND2 ASN A 119 -8.044 4.103 1.111 1.00 2.06 N ATOM 0 H ASN A 119 -3.149 3.941 1.232 1.00 0.51 H new ATOM 0 HA ASN A 119 -4.724 5.960 -0.156 1.00 0.54 H new ATOM 0 HB2 ASN A 119 -5.488 3.627 -0.133 1.00 0.67 H new ATOM 0 HB3 ASN A 119 -5.484 3.611 1.619 1.00 0.67 H new ATOM 0 HD21 ASN A 119 -8.978 4.507 1.175 1.00 2.06 H new ATOM 0 HD22 ASN A 119 -7.901 3.115 1.320 1.00 2.06 H new ATOM 1798 N PRO A 120 -4.908 7.618 1.795 1.00 0.52 N ATOM 1799 CA PRO A 120 -5.099 8.545 2.901 1.00 0.52 C ATOM 1800 C PRO A 120 -6.509 8.467 3.506 1.00 0.55 C ATOM 1801 O PRO A 120 -6.883 9.343 4.283 1.00 0.59 O ATOM 1802 CB PRO A 120 -4.816 9.925 2.303 1.00 0.54 C ATOM 1803 CG PRO A 120 -5.312 9.773 0.867 1.00 0.55 C ATOM 1804 CD PRO A 120 -4.908 8.339 0.526 1.00 0.54 C ATOM 0 HA PRO A 120 -4.437 8.309 3.734 1.00 0.52 H new ATOM 0 HB2 PRO A 120 -5.348 10.714 2.834 1.00 0.54 H new ATOM 0 HB3 PRO A 120 -3.755 10.174 2.342 1.00 0.54 H new ATOM 0 HG2 PRO A 120 -6.390 9.919 0.793 1.00 0.55 H new ATOM 0 HG3 PRO A 120 -4.845 10.496 0.198 1.00 0.55 H new ATOM 0 HD2 PRO A 120 -5.609 7.892 -0.179 1.00 0.54 H new ATOM 0 HD3 PRO A 120 -3.924 8.310 0.059 1.00 0.54 H new ATOM 1812 N LYS A 121 -7.312 7.457 3.143 1.00 0.62 N ATOM 1813 CA LYS A 121 -8.593 7.187 3.787 1.00 0.66 C ATOM 1814 C LYS A 121 -8.462 6.029 4.782 1.00 0.65 C ATOM 1815 O LYS A 121 -9.072 6.070 5.848 1.00 0.79 O ATOM 1816 CB LYS A 121 -9.676 6.909 2.739 1.00 0.75 C ATOM 1817 CG LYS A 121 -9.690 7.916 1.581 1.00 1.90 C ATOM 1818 CD LYS A 121 -9.896 9.356 2.060 1.00 3.08 C ATOM 1819 CE LYS A 121 -10.086 10.269 0.840 1.00 4.51 C ATOM 1820 NZ LYS A 121 -10.204 11.689 1.224 1.00 5.69 N ATOM 0 H LYS A 121 -7.085 6.806 2.391 1.00 0.62 H new ATOM 0 HA LYS A 121 -8.895 8.072 4.347 1.00 0.66 H new ATOM 0 HB2 LYS A 121 -9.529 5.907 2.335 1.00 0.75 H new ATOM 0 HB3 LYS A 121 -10.651 6.917 3.227 1.00 0.75 H new ATOM 0 HG2 LYS A 121 -8.750 7.849 1.034 1.00 1.90 H new ATOM 0 HG3 LYS A 121 -10.484 7.651 0.883 1.00 1.90 H new ATOM 0 HD2 LYS A 121 -10.767 9.414 2.713 1.00 3.08 H new ATOM 0 HD3 LYS A 121 -9.037 9.684 2.645 1.00 3.08 H new ATOM 0 HE2 LYS A 121 -9.242 10.146 0.161 1.00 4.51 H new ATOM 0 HE3 LYS A 121 -10.980 9.965 0.296 1.00 4.51 H new ATOM 0 HZ1 LYS A 121 -10.331 12.270 0.371 1.00 5.69 H new ATOM 0 HZ2 LYS A 121 -11.024 11.812 1.852 1.00 5.69 H new ATOM 0 HZ3 LYS A 121 -9.340 11.987 1.721 1.00 5.69 H new ATOM 1834 N GLU A 122 -7.669 5.007 4.442 1.00 0.62 N ATOM 1835 CA GLU A 122 -7.429 3.871 5.327 1.00 0.60 C ATOM 1836 C GLU A 122 -6.486 4.282 6.469 1.00 0.56 C ATOM 1837 O GLU A 122 -6.703 3.879 7.610 1.00 0.59 O ATOM 1838 CB GLU A 122 -6.881 2.657 4.547 1.00 0.60 C ATOM 1839 CG GLU A 122 -7.844 1.451 4.477 1.00 0.60 C ATOM 1840 CD GLU A 122 -8.973 1.610 3.463 1.00 1.72 C ATOM 1841 OE1 GLU A 122 -8.623 1.859 2.293 1.00 2.96 O ATOM 1842 OE2 GLU A 122 -10.158 1.452 3.835 1.00 2.55 O ATOM 0 H GLU A 122 -7.179 4.948 3.549 1.00 0.62 H new ATOM 0 HA GLU A 122 -8.380 3.565 5.763 1.00 0.60 H new ATOM 0 HB2 GLU A 122 -6.640 2.972 3.532 1.00 0.60 H new ATOM 0 HB3 GLU A 122 -5.949 2.335 5.010 1.00 0.60 H new ATOM 0 HG2 GLU A 122 -7.271 0.557 4.229 1.00 0.60 H new ATOM 0 HG3 GLU A 122 -8.277 1.289 5.464 1.00 0.60 H new ATOM 1849 N ALA A 123 -5.432 5.057 6.174 1.00 0.55 N ATOM 1850 CA ALA A 123 -4.427 5.452 7.167 1.00 0.50 C ATOM 1851 C ALA A 123 -4.136 6.954 7.077 1.00 0.48 C ATOM 1852 O ALA A 123 -4.822 7.671 6.348 1.00 0.57 O ATOM 1853 CB ALA A 123 -3.164 4.601 6.979 1.00 0.50 C ATOM 0 H ALA A 123 -5.254 5.427 5.240 1.00 0.55 H new ATOM 0 HA ALA A 123 -4.811 5.269 8.171 1.00 0.50 H new ATOM 0 HB1 ALA A 123 -2.416 4.893 7.716 1.00 0.50 H new ATOM 0 HB2 ALA A 123 -3.412 3.548 7.111 1.00 0.50 H new ATOM 0 HB3 ALA A 123 -2.766 4.757 5.976 1.00 0.50 H new ATOM 1859 N SER A 124 -3.124 7.448 7.804 1.00 0.44 N ATOM 1860 CA SER A 124 -2.747 8.859 7.809 1.00 0.46 C ATOM 1861 C SER A 124 -1.310 9.030 8.315 1.00 0.43 C ATOM 1862 O SER A 124 -0.741 8.105 8.890 1.00 0.44 O ATOM 1863 CB SER A 124 -3.727 9.639 8.696 1.00 0.53 C ATOM 1864 OG SER A 124 -3.699 9.128 10.014 1.00 2.07 O ATOM 0 H SER A 124 -2.542 6.869 8.409 1.00 0.44 H new ATOM 0 HA SER A 124 -2.793 9.248 6.792 1.00 0.46 H new ATOM 0 HB2 SER A 124 -3.463 10.696 8.702 1.00 0.53 H new ATOM 0 HB3 SER A 124 -4.736 9.565 8.290 1.00 0.53 H new ATOM 0 HG SER A 124 -4.326 9.632 10.574 1.00 2.07 H new ATOM 1870 N VAL A 125 -0.741 10.230 8.152 1.00 0.45 N ATOM 1871 CA VAL A 125 0.554 10.630 8.694 1.00 0.49 C ATOM 1872 C VAL A 125 0.787 10.139 10.122 1.00 0.47 C ATOM 1873 O VAL A 125 1.877 9.664 10.426 1.00 0.46 O ATOM 1874 CB VAL A 125 0.670 12.161 8.601 1.00 0.61 C ATOM 1875 CG1 VAL A 125 1.953 12.692 9.255 1.00 1.86 C ATOM 1876 CG2 VAL A 125 0.592 12.572 7.126 1.00 1.34 C ATOM 0 H VAL A 125 -1.190 10.974 7.618 1.00 0.45 H new ATOM 0 HA VAL A 125 1.335 10.156 8.099 1.00 0.49 H new ATOM 0 HB VAL A 125 -0.157 12.605 9.155 1.00 0.61 H new ATOM 0 HG11 VAL A 125 1.986 13.778 9.162 1.00 1.86 H new ATOM 0 HG12 VAL A 125 1.964 12.418 10.310 1.00 1.86 H new ATOM 0 HG13 VAL A 125 2.821 12.258 8.758 1.00 1.86 H new ATOM 0 HG21 VAL A 125 0.673 13.656 7.046 1.00 1.34 H new ATOM 0 HG22 VAL A 125 1.408 12.105 6.575 1.00 1.34 H new ATOM 0 HG23 VAL A 125 -0.361 12.247 6.708 1.00 1.34 H new ATOM 1886 N SER A 126 -0.205 10.251 11.009 1.00 0.51 N ATOM 1887 CA SER A 126 -0.094 9.757 12.375 1.00 0.55 C ATOM 1888 C SER A 126 0.387 8.301 12.424 1.00 0.50 C ATOM 1889 O SER A 126 1.266 7.966 13.218 1.00 0.53 O ATOM 1890 CB SER A 126 -1.452 9.916 13.061 1.00 0.65 C ATOM 1891 OG SER A 126 -1.854 11.270 12.973 1.00 0.78 O ATOM 0 H SER A 126 -1.103 10.686 10.797 1.00 0.51 H new ATOM 0 HA SER A 126 0.658 10.342 12.904 1.00 0.55 H new ATOM 0 HB2 SER A 126 -2.192 9.271 12.586 1.00 0.65 H new ATOM 0 HB3 SER A 126 -1.385 9.610 14.105 1.00 0.65 H new ATOM 0 HG SER A 126 -2.725 11.382 13.409 1.00 0.78 H new ATOM 1897 N ASP A 127 -0.172 7.449 11.558 1.00 0.46 N ATOM 1898 CA ASP A 127 0.176 6.037 11.478 1.00 0.47 C ATOM 1899 C ASP A 127 1.661 5.904 11.134 1.00 0.45 C ATOM 1900 O ASP A 127 2.437 5.265 11.842 1.00 0.48 O ATOM 1901 CB ASP A 127 -0.715 5.378 10.414 1.00 0.50 C ATOM 1902 CG ASP A 127 -0.502 3.877 10.339 1.00 0.84 C ATOM 1903 OD1 ASP A 127 0.616 3.489 9.944 1.00 1.95 O ATOM 1904 OD2 ASP A 127 -1.471 3.154 10.647 1.00 1.82 O ATOM 0 H ASP A 127 -0.887 7.730 10.887 1.00 0.46 H new ATOM 0 HA ASP A 127 0.008 5.536 12.431 1.00 0.47 H new ATOM 0 HB2 ASP A 127 -1.761 5.584 10.640 1.00 0.50 H new ATOM 0 HB3 ASP A 127 -0.506 5.822 9.441 1.00 0.50 H new ATOM 1909 N LEU A 128 2.062 6.600 10.070 1.00 0.44 N ATOM 1910 CA LEU A 128 3.419 6.599 9.546 1.00 0.44 C ATOM 1911 C LEU A 128 4.404 7.064 10.618 1.00 0.43 C ATOM 1912 O LEU A 128 5.442 6.443 10.849 1.00 0.43 O ATOM 1913 CB LEU A 128 3.491 7.497 8.306 1.00 0.48 C ATOM 1914 CG LEU A 128 2.603 7.016 7.148 1.00 0.57 C ATOM 1915 CD1 LEU A 128 2.823 7.961 5.968 1.00 0.76 C ATOM 1916 CD2 LEU A 128 2.934 5.582 6.710 1.00 0.62 C ATOM 0 H LEU A 128 1.429 7.196 9.536 1.00 0.44 H new ATOM 0 HA LEU A 128 3.694 5.584 9.258 1.00 0.44 H new ATOM 0 HB2 LEU A 128 3.197 8.509 8.583 1.00 0.48 H new ATOM 0 HB3 LEU A 128 4.525 7.548 7.964 1.00 0.48 H new ATOM 0 HG LEU A 128 1.566 7.019 7.484 1.00 0.57 H new ATOM 0 HD11 LEU A 128 2.204 7.645 5.128 1.00 0.76 H new ATOM 0 HD12 LEU A 128 2.549 8.975 6.258 1.00 0.76 H new ATOM 0 HD13 LEU A 128 3.872 7.938 5.674 1.00 0.76 H new ATOM 0 HD21 LEU A 128 2.278 5.292 5.889 1.00 0.62 H new ATOM 0 HD22 LEU A 128 3.972 5.533 6.380 1.00 0.62 H new ATOM 0 HD23 LEU A 128 2.788 4.902 7.549 1.00 0.62 H new ATOM 1928 N LYS A 129 4.071 8.171 11.281 1.00 0.44 N ATOM 1929 CA LYS A 129 4.850 8.687 12.387 1.00 0.47 C ATOM 1930 C LYS A 129 4.976 7.632 13.483 1.00 0.50 C ATOM 1931 O LYS A 129 6.097 7.377 13.910 1.00 0.57 O ATOM 1932 CB LYS A 129 4.254 10.005 12.896 1.00 0.53 C ATOM 1933 CG LYS A 129 4.470 11.124 11.863 1.00 0.58 C ATOM 1934 CD LYS A 129 5.041 12.436 12.428 1.00 0.65 C ATOM 1935 CE LYS A 129 6.532 12.376 12.815 1.00 2.74 C ATOM 1936 NZ LYS A 129 6.777 11.769 14.143 1.00 3.68 N ATOM 0 H LYS A 129 3.248 8.732 11.059 1.00 0.44 H new ATOM 0 HA LYS A 129 5.860 8.912 12.045 1.00 0.47 H new ATOM 0 HB2 LYS A 129 3.189 9.880 13.089 1.00 0.53 H new ATOM 0 HB3 LYS A 129 4.719 10.280 13.843 1.00 0.53 H new ATOM 0 HG2 LYS A 129 5.144 10.757 11.089 1.00 0.58 H new ATOM 0 HG3 LYS A 129 3.517 11.340 11.380 1.00 0.58 H new ATOM 0 HD2 LYS A 129 4.903 13.225 11.688 1.00 0.65 H new ATOM 0 HD3 LYS A 129 4.463 12.719 13.307 1.00 0.65 H new ATOM 0 HE2 LYS A 129 7.072 11.806 12.059 1.00 2.74 H new ATOM 0 HE3 LYS A 129 6.942 13.386 12.805 1.00 2.74 H new ATOM 0 HZ1 LYS A 129 7.538 12.287 14.627 1.00 3.68 H new ATOM 0 HZ2 LYS A 129 5.908 11.818 14.713 1.00 3.68 H new ATOM 0 HZ3 LYS A 129 7.057 10.775 14.024 1.00 3.68 H new ATOM 1950 N GLU A 130 3.874 7.009 13.923 1.00 0.51 N ATOM 1951 CA GLU A 130 3.950 6.002 14.971 1.00 0.56 C ATOM 1952 C GLU A 130 4.847 4.840 14.525 1.00 0.53 C ATOM 1953 O GLU A 130 5.682 4.343 15.282 1.00 0.59 O ATOM 1954 CB GLU A 130 2.545 5.504 15.342 1.00 0.64 C ATOM 1955 CG GLU A 130 2.602 4.878 16.740 1.00 1.49 C ATOM 1956 CD GLU A 130 1.679 3.679 16.894 1.00 1.98 C ATOM 1957 OE1 GLU A 130 0.497 3.891 17.231 1.00 2.72 O ATOM 1958 OE2 GLU A 130 2.182 2.553 16.684 1.00 2.77 O ATOM 0 H GLU A 130 2.934 7.187 13.570 1.00 0.51 H new ATOM 0 HA GLU A 130 4.392 6.452 15.860 1.00 0.56 H new ATOM 0 HB2 GLU A 130 1.834 6.330 15.326 1.00 0.64 H new ATOM 0 HB3 GLU A 130 2.198 4.771 14.613 1.00 0.64 H new ATOM 0 HG2 GLU A 130 3.626 4.571 16.953 1.00 1.49 H new ATOM 0 HG3 GLU A 130 2.335 5.632 17.481 1.00 1.49 H new ATOM 1965 N ALA A 131 4.688 4.414 13.270 1.00 0.49 N ATOM 1966 CA ALA A 131 5.469 3.329 12.713 1.00 0.50 C ATOM 1967 C ALA A 131 6.956 3.676 12.789 1.00 0.47 C ATOM 1968 O ALA A 131 7.759 2.900 13.305 1.00 0.52 O ATOM 1969 CB ALA A 131 5.012 3.040 11.281 1.00 0.51 C ATOM 0 H ALA A 131 4.013 4.816 12.620 1.00 0.49 H new ATOM 0 HA ALA A 131 5.313 2.419 13.292 1.00 0.50 H new ATOM 0 HB1 ALA A 131 5.604 2.223 10.868 1.00 0.51 H new ATOM 0 HB2 ALA A 131 3.959 2.759 11.285 1.00 0.51 H new ATOM 0 HB3 ALA A 131 5.148 3.932 10.669 1.00 0.51 H new ATOM 1975 N VAL A 132 7.349 4.853 12.303 1.00 0.44 N ATOM 1976 CA VAL A 132 8.755 5.219 12.339 1.00 0.48 C ATOM 1977 C VAL A 132 9.228 5.466 13.776 1.00 0.50 C ATOM 1978 O VAL A 132 10.399 5.228 14.087 1.00 0.55 O ATOM 1979 CB VAL A 132 9.059 6.348 11.348 1.00 0.53 C ATOM 1980 CG1 VAL A 132 10.476 6.894 11.575 1.00 1.58 C ATOM 1981 CG2 VAL A 132 8.970 5.767 9.927 1.00 1.08 C ATOM 0 H VAL A 132 6.729 5.550 11.891 1.00 0.44 H new ATOM 0 HA VAL A 132 9.355 4.378 11.992 1.00 0.48 H new ATOM 0 HB VAL A 132 8.345 7.160 11.487 1.00 0.53 H new ATOM 0 HG11 VAL A 132 10.676 7.695 10.863 1.00 1.58 H new ATOM 0 HG12 VAL A 132 10.558 7.282 12.590 1.00 1.58 H new ATOM 0 HG13 VAL A 132 11.202 6.093 11.433 1.00 1.58 H new ATOM 0 HG21 VAL A 132 9.182 6.551 9.200 1.00 1.08 H new ATOM 0 HG22 VAL A 132 9.697 4.963 9.817 1.00 1.08 H new ATOM 0 HG23 VAL A 132 7.967 5.375 9.756 1.00 1.08 H new ATOM 1991 N ASP A 133 8.324 5.893 14.662 1.00 0.54 N ATOM 1992 CA ASP A 133 8.629 6.013 16.077 1.00 0.64 C ATOM 1993 C ASP A 133 9.091 4.657 16.616 1.00 0.64 C ATOM 1994 O ASP A 133 10.193 4.536 17.142 1.00 0.67 O ATOM 1995 CB ASP A 133 7.425 6.552 16.855 1.00 0.77 C ATOM 1996 CG ASP A 133 7.876 7.211 18.147 1.00 1.98 C ATOM 1997 OD1 ASP A 133 8.164 8.427 18.082 1.00 2.10 O ATOM 1998 OD2 ASP A 133 7.922 6.491 19.166 1.00 3.31 O ATOM 0 H ASP A 133 7.371 6.161 14.415 1.00 0.54 H new ATOM 0 HA ASP A 133 9.438 6.731 16.210 1.00 0.64 H new ATOM 0 HB2 ASP A 133 6.882 7.272 16.243 1.00 0.77 H new ATOM 0 HB3 ASP A 133 6.735 5.738 17.077 1.00 0.77 H new ATOM 2003 N LYS A 134 8.284 3.616 16.382 1.00 0.66 N ATOM 2004 CA LYS A 134 8.649 2.232 16.673 1.00 0.70 C ATOM 2005 C LYS A 134 10.005 1.852 16.060 1.00 0.65 C ATOM 2006 O LYS A 134 10.839 1.260 16.741 1.00 0.83 O ATOM 2007 CB LYS A 134 7.546 1.286 16.179 1.00 0.77 C ATOM 2008 CG LYS A 134 6.403 1.139 17.187 1.00 0.85 C ATOM 2009 CD LYS A 134 5.143 0.671 16.448 1.00 1.47 C ATOM 2010 CE LYS A 134 4.129 0.033 17.407 1.00 2.10 C ATOM 2011 NZ LYS A 134 2.775 0.002 16.818 1.00 3.14 N ATOM 0 H LYS A 134 7.351 3.715 15.981 1.00 0.66 H new ATOM 0 HA LYS A 134 8.750 2.134 17.754 1.00 0.70 H new ATOM 0 HB2 LYS A 134 7.148 1.659 15.235 1.00 0.77 H new ATOM 0 HB3 LYS A 134 7.977 0.305 15.978 1.00 0.77 H new ATOM 0 HG2 LYS A 134 6.674 0.421 17.961 1.00 0.85 H new ATOM 0 HG3 LYS A 134 6.216 2.090 17.685 1.00 0.85 H new ATOM 0 HD2 LYS A 134 4.682 1.519 15.941 1.00 1.47 H new ATOM 0 HD3 LYS A 134 5.419 -0.049 15.678 1.00 1.47 H new ATOM 0 HE2 LYS A 134 4.445 -0.981 17.650 1.00 2.10 H new ATOM 0 HE3 LYS A 134 4.108 0.593 18.342 1.00 2.10 H new ATOM 0 HZ1 LYS A 134 2.248 -0.808 17.202 1.00 3.14 H new ATOM 0 HZ2 LYS A 134 2.274 0.883 17.052 1.00 3.14 H new ATOM 0 HZ3 LYS A 134 2.848 -0.091 15.785 1.00 3.14 H new ATOM 2025 N LEU A 135 10.232 2.158 14.777 1.00 0.53 N ATOM 2026 CA LEU A 135 11.528 1.887 14.145 1.00 0.49 C ATOM 2027 C LEU A 135 12.672 2.646 14.830 1.00 0.52 C ATOM 2028 O LEU A 135 13.809 2.175 14.808 1.00 0.63 O ATOM 2029 CB LEU A 135 11.490 2.210 12.645 1.00 0.45 C ATOM 2030 CG LEU A 135 11.014 1.060 11.742 1.00 0.46 C ATOM 2031 CD1 LEU A 135 12.130 0.025 11.542 1.00 0.60 C ATOM 2032 CD2 LEU A 135 9.740 0.392 12.260 1.00 0.77 C ATOM 0 H LEU A 135 9.542 2.589 14.161 1.00 0.53 H new ATOM 0 HA LEU A 135 11.723 0.821 14.265 1.00 0.49 H new ATOM 0 HB2 LEU A 135 10.835 3.068 12.490 1.00 0.45 H new ATOM 0 HB3 LEU A 135 12.489 2.510 12.328 1.00 0.45 H new ATOM 0 HG LEU A 135 10.767 1.501 10.776 1.00 0.46 H new ATOM 0 HD11 LEU A 135 11.770 -0.779 10.900 1.00 0.60 H new ATOM 0 HD12 LEU A 135 12.991 0.504 11.076 1.00 0.60 H new ATOM 0 HD13 LEU A 135 12.423 -0.386 12.508 1.00 0.60 H new ATOM 0 HD21 LEU A 135 9.450 -0.412 11.584 1.00 0.77 H new ATOM 0 HD22 LEU A 135 9.922 -0.017 13.254 1.00 0.77 H new ATOM 0 HD23 LEU A 135 8.938 1.129 12.312 1.00 0.77 H new ATOM 2044 N GLY A 136 12.385 3.807 15.420 1.00 0.50 N ATOM 2045 CA GLY A 136 13.324 4.550 16.243 1.00 0.55 C ATOM 2046 C GLY A 136 14.059 5.617 15.440 1.00 0.57 C ATOM 2047 O GLY A 136 15.252 5.827 15.650 1.00 0.69 O ATOM 0 H GLY A 136 11.475 4.261 15.334 1.00 0.50 H new ATOM 0 HA2 GLY A 136 12.790 5.020 17.069 1.00 0.55 H new ATOM 0 HA3 GLY A 136 14.047 3.862 16.681 1.00 0.55 H new ATOM 2051 N TYR A 137 13.349 6.311 14.544 1.00 0.57 N ATOM 2052 CA TYR A 137 13.871 7.474 13.826 1.00 0.65 C ATOM 2053 C TYR A 137 12.817 8.578 13.885 1.00 0.72 C ATOM 2054 O TYR A 137 11.982 8.571 14.787 1.00 0.98 O ATOM 2055 CB TYR A 137 14.263 7.088 12.390 1.00 0.66 C ATOM 2056 CG TYR A 137 15.112 5.838 12.324 1.00 0.68 C ATOM 2057 CD1 TYR A 137 16.436 5.872 12.803 1.00 2.10 C ATOM 2058 CD2 TYR A 137 14.509 4.601 12.029 1.00 1.53 C ATOM 2059 CE1 TYR A 137 17.116 4.672 13.068 1.00 2.16 C ATOM 2060 CE2 TYR A 137 15.212 3.405 12.245 1.00 1.56 C ATOM 2061 CZ TYR A 137 16.498 3.439 12.808 1.00 0.91 C ATOM 2062 OH TYR A 137 17.202 2.281 12.950 1.00 1.04 O ATOM 0 H TYR A 137 12.388 6.077 14.296 1.00 0.57 H new ATOM 0 HA TYR A 137 14.783 7.846 14.292 1.00 0.65 H new ATOM 0 HB2 TYR A 137 13.359 6.938 11.801 1.00 0.66 H new ATOM 0 HB3 TYR A 137 14.807 7.915 11.933 1.00 0.66 H new ATOM 0 HD1 TYR A 137 16.928 6.820 12.966 1.00 2.10 H new ATOM 0 HD2 TYR A 137 13.504 4.572 11.636 1.00 1.53 H new ATOM 0 HE1 TYR A 137 18.117 4.698 13.473 1.00 2.16 H new ATOM 0 HE2 TYR A 137 14.764 2.459 11.978 1.00 1.56 H new ATOM 0 HH TYR A 137 17.989 2.303 12.366 1.00 1.04 H new ATOM 2072 N LYS A 138 12.819 9.524 12.940 1.00 0.61 N ATOM 2073 CA LYS A 138 11.743 10.491 12.834 1.00 0.66 C ATOM 2074 C LYS A 138 11.495 10.781 11.353 1.00 0.58 C ATOM 2075 O LYS A 138 12.440 10.817 10.561 1.00 0.59 O ATOM 2076 CB LYS A 138 12.050 11.747 13.673 1.00 0.82 C ATOM 2077 CG LYS A 138 13.352 12.446 13.258 1.00 0.96 C ATOM 2078 CD LYS A 138 14.632 12.027 14.002 1.00 2.00 C ATOM 2079 CE LYS A 138 14.925 12.883 15.241 1.00 2.67 C ATOM 2080 NZ LYS A 138 14.121 12.482 16.407 1.00 3.58 N ATOM 0 H LYS A 138 13.556 9.633 12.243 1.00 0.61 H new ATOM 0 HA LYS A 138 10.819 10.090 13.250 1.00 0.66 H new ATOM 0 HB2 LYS A 138 11.222 12.450 13.580 1.00 0.82 H new ATOM 0 HB3 LYS A 138 12.114 11.467 14.725 1.00 0.82 H new ATOM 0 HG2 LYS A 138 13.506 12.273 12.193 1.00 0.96 H new ATOM 0 HG3 LYS A 138 13.218 13.520 13.390 1.00 0.96 H new ATOM 0 HD2 LYS A 138 14.543 10.983 14.304 1.00 2.00 H new ATOM 0 HD3 LYS A 138 15.478 12.090 13.318 1.00 2.00 H new ATOM 0 HE2 LYS A 138 15.983 12.806 15.490 1.00 2.67 H new ATOM 0 HE3 LYS A 138 14.727 13.930 15.010 1.00 2.67 H new ATOM 0 HZ1 LYS A 138 14.428 13.021 17.242 1.00 3.58 H new ATOM 0 HZ2 LYS A 138 13.117 12.676 16.219 1.00 3.58 H new ATOM 0 HZ3 LYS A 138 14.250 11.465 16.585 1.00 3.58 H new ATOM 2094 N LEU A 139 10.224 10.979 10.994 1.00 0.60 N ATOM 2095 CA LEU A 139 9.830 11.448 9.677 1.00 0.63 C ATOM 2096 C LEU A 139 9.516 12.937 9.739 1.00 0.74 C ATOM 2097 O LEU A 139 9.103 13.457 10.778 1.00 0.95 O ATOM 2098 CB LEU A 139 8.595 10.702 9.163 1.00 0.80 C ATOM 2099 CG LEU A 139 8.871 9.252 8.758 1.00 0.65 C ATOM 2100 CD1 LEU A 139 7.546 8.628 8.323 1.00 1.41 C ATOM 2101 CD2 LEU A 139 9.874 9.140 7.604 1.00 1.21 C ATOM 0 H LEU A 139 9.437 10.814 11.621 1.00 0.60 H new ATOM 0 HA LEU A 139 10.658 11.261 8.993 1.00 0.63 H new ATOM 0 HB2 LEU A 139 7.828 10.713 9.937 1.00 0.80 H new ATOM 0 HB3 LEU A 139 8.190 11.238 8.305 1.00 0.80 H new ATOM 0 HG LEU A 139 9.307 8.736 9.614 1.00 0.65 H new ATOM 0 HD11 LEU A 139 7.711 7.592 8.028 1.00 1.41 H new ATOM 0 HD12 LEU A 139 6.839 8.661 9.152 1.00 1.41 H new ATOM 0 HD13 LEU A 139 7.141 9.186 7.478 1.00 1.41 H new ATOM 0 HD21 LEU A 139 10.031 8.090 7.359 1.00 1.21 H new ATOM 0 HD22 LEU A 139 9.483 9.661 6.730 1.00 1.21 H new ATOM 0 HD23 LEU A 139 10.822 9.589 7.901 1.00 1.21 H new ATOM 2113 N LYS A 140 9.684 13.585 8.592 1.00 0.63 N ATOM 2114 CA LYS A 140 9.365 14.971 8.299 1.00 0.71 C ATOM 2115 C LYS A 140 8.541 14.987 7.004 1.00 0.63 C ATOM 2116 O LYS A 140 8.391 13.945 6.368 1.00 0.59 O ATOM 2117 CB LYS A 140 10.685 15.744 8.180 1.00 0.77 C ATOM 2118 CG LYS A 140 11.152 16.278 9.537 1.00 0.91 C ATOM 2119 CD LYS A 140 10.640 17.713 9.708 1.00 1.26 C ATOM 2120 CE LYS A 140 10.877 18.218 11.135 1.00 1.84 C ATOM 2121 NZ LYS A 140 10.655 19.675 11.236 1.00 2.34 N ATOM 0 H LYS A 140 10.079 13.113 7.779 1.00 0.63 H new ATOM 0 HA LYS A 140 8.775 15.449 9.081 1.00 0.71 H new ATOM 0 HB2 LYS A 140 11.452 15.092 7.762 1.00 0.77 H new ATOM 0 HB3 LYS A 140 10.559 16.575 7.486 1.00 0.77 H new ATOM 0 HG2 LYS A 140 10.776 15.645 10.341 1.00 0.91 H new ATOM 0 HG3 LYS A 140 12.240 16.256 9.597 1.00 0.91 H new ATOM 0 HD2 LYS A 140 11.144 18.369 8.999 1.00 1.26 H new ATOM 0 HD3 LYS A 140 9.575 17.752 9.477 1.00 1.26 H new ATOM 0 HE2 LYS A 140 10.209 17.698 11.822 1.00 1.84 H new ATOM 0 HE3 LYS A 140 11.896 17.982 11.441 1.00 1.84 H new ATOM 0 HZ1 LYS A 140 10.824 19.985 12.214 1.00 2.34 H new ATOM 0 HZ2 LYS A 140 11.310 20.171 10.598 1.00 2.34 H new ATOM 0 HZ3 LYS A 140 9.675 19.896 10.967 1.00 2.34 H new ATOM 2135 N LEU A 141 7.966 16.136 6.636 1.00 0.71 N ATOM 2136 CA LEU A 141 6.995 16.259 5.558 1.00 0.65 C ATOM 2137 C LEU A 141 7.552 17.203 4.487 1.00 0.61 C ATOM 2138 O LEU A 141 7.966 18.308 4.834 1.00 0.80 O ATOM 2139 CB LEU A 141 5.685 16.862 6.100 1.00 0.87 C ATOM 2140 CG LEU A 141 5.139 16.385 7.461 1.00 1.44 C ATOM 2141 CD1 LEU A 141 5.045 14.861 7.563 1.00 1.44 C ATOM 2142 CD2 LEU A 141 5.826 16.997 8.689 1.00 3.74 C ATOM 0 H LEU A 141 8.171 17.024 7.094 1.00 0.71 H new ATOM 0 HA LEU A 141 6.802 15.272 5.137 1.00 0.65 H new ATOM 0 HB2 LEU A 141 5.823 17.941 6.163 1.00 0.87 H new ATOM 0 HB3 LEU A 141 4.910 16.683 5.355 1.00 0.87 H new ATOM 0 HG LEU A 141 4.123 16.780 7.482 1.00 1.44 H new ATOM 0 HD11 LEU A 141 4.654 14.585 8.543 1.00 1.44 H new ATOM 0 HD12 LEU A 141 4.378 14.485 6.787 1.00 1.44 H new ATOM 0 HD13 LEU A 141 6.036 14.426 7.432 1.00 1.44 H new ATOM 0 HD21 LEU A 141 5.371 16.599 9.596 1.00 3.74 H new ATOM 0 HD22 LEU A 141 6.887 16.747 8.675 1.00 3.74 H new ATOM 0 HD23 LEU A 141 5.708 18.080 8.669 1.00 3.74 H new ATOM 2154 N LYS A 142 7.535 16.836 3.199 1.00 0.54 N ATOM 2155 CA LYS A 142 7.867 17.797 2.141 1.00 0.72 C ATOM 2156 C LYS A 142 6.618 18.628 1.817 1.00 1.02 C ATOM 2157 O LYS A 142 5.897 18.361 0.857 1.00 1.20 O ATOM 2158 CB LYS A 142 8.461 17.085 0.909 1.00 0.69 C ATOM 2159 CG LYS A 142 9.982 17.269 0.774 1.00 1.38 C ATOM 2160 CD LYS A 142 10.749 16.786 2.015 1.00 2.28 C ATOM 2161 CE LYS A 142 11.369 17.919 2.863 1.00 3.70 C ATOM 2162 NZ LYS A 142 12.849 17.916 2.821 1.00 4.82 N ATOM 0 H LYS A 142 7.300 15.900 2.869 1.00 0.54 H new ATOM 0 HA LYS A 142 8.644 18.480 2.484 1.00 0.72 H new ATOM 0 HB2 LYS A 142 8.235 16.020 0.969 1.00 0.69 H new ATOM 0 HB3 LYS A 142 7.975 17.464 0.010 1.00 0.69 H new ATOM 0 HG2 LYS A 142 10.334 16.723 -0.101 1.00 1.38 H new ATOM 0 HG3 LYS A 142 10.203 18.323 0.602 1.00 1.38 H new ATOM 0 HD2 LYS A 142 10.072 16.207 2.643 1.00 2.28 H new ATOM 0 HD3 LYS A 142 11.543 16.111 1.696 1.00 2.28 H new ATOM 0 HE2 LYS A 142 11.001 18.880 2.504 1.00 3.70 H new ATOM 0 HE3 LYS A 142 11.038 17.817 3.897 1.00 3.70 H new ATOM 0 HZ1 LYS A 142 13.213 18.734 3.350 1.00 4.82 H new ATOM 0 HZ2 LYS A 142 13.207 17.039 3.251 1.00 4.82 H new ATOM 0 HZ3 LYS A 142 13.168 17.972 1.833 1.00 4.82 H new