USER MOD reduce.3.24.130724 H: found=0, std=0, add=929, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 925 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 40 HIS : no HE2:sc= -6.15! K(o=-8.2!,f=-11) USER MOD Set 1.2: A 60 MET CE :methyl -144:sc= -2.09 (180deg=-4.54!) USER MOD Single : A 1 GLY N :NH3+ -171:sc= -0.159 (180deg=-0.318) USER MOD Single : A 2 SER OG : rot 180:sc= -0.344 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= -0.0107 X(o=-0.011,f=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 SER OG : rot 56:sc= 1.2 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 ASN : amide:sc= -0.962 K(o=-0.96,f=-2.8!) USER MOD Single : A 22 TYR OH : rot 30:sc= -0.352 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.0205 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc=-0.00721 X(o=-0.0072,f=-0.13) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot -74:sc= 1.12 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 GLN : amide:sc= -0.495 X(o=-0.5,f=-0.15) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 109:sc= -1.37 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 MET CE :methyl -128:sc= -1.11 (180deg=-2.67!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot -137:sc= 0.132 USER MOD Single : A 76 HIS : no HD1:sc= 0 X(o=0,f=-0.0037) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= -5.03! C(o=-5!,f=-6.7!) USER MOD Single : A 80 THR OG1 : rot 180:sc=-0.00979 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 60:sc= 0.00705 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 CYS SG : rot 180:sc= -0.0307 USER MOD Single : A 96 ASN :FLIP amide:sc= -2.96 F(o=-6.8!,f=-3) USER MOD Single : A 98 SER OG : rot -160:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 ASN : amide:sc= -0.331 X(o=-0.33,f=-0.36) USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 7.623 8.025 12.629 1.00 0.00 N ATOM 2 CA GLY A 1 6.742 6.903 12.354 1.00 0.00 C ATOM 3 C GLY A 1 7.195 5.653 13.112 1.00 0.00 C ATOM 4 O GLY A 1 8.246 5.656 13.751 1.00 0.00 O ATOM 0 H1 GLY A 1 7.214 8.894 12.230 1.00 0.00 H new ATOM 0 H2 GLY A 1 7.734 8.135 13.657 1.00 0.00 H new ATOM 0 H3 GLY A 1 8.553 7.850 12.197 1.00 0.00 H new ATOM 0 HA2 GLY A 1 5.722 7.158 12.642 1.00 0.00 H new ATOM 0 HA3 GLY A 1 6.730 6.699 11.283 1.00 0.00 H new ATOM 8 N SER A 2 6.379 4.613 13.015 1.00 0.00 N ATOM 9 CA SER A 2 6.682 3.359 13.684 1.00 0.00 C ATOM 10 C SER A 2 6.939 3.608 15.171 1.00 0.00 C ATOM 11 O SER A 2 8.017 4.062 15.551 1.00 0.00 O ATOM 12 CB SER A 2 7.890 2.672 13.044 1.00 0.00 C ATOM 13 OG SER A 2 7.515 1.516 12.300 1.00 0.00 O ATOM 0 H SER A 2 5.509 4.613 12.483 1.00 0.00 H new ATOM 0 HA SER A 2 5.822 2.697 13.577 1.00 0.00 H new ATOM 0 HB2 SER A 2 8.401 3.376 12.387 1.00 0.00 H new ATOM 0 HB3 SER A 2 8.600 2.388 13.821 1.00 0.00 H new ATOM 0 HG SER A 2 8.314 1.107 11.906 1.00 0.00 H new ATOM 19 N SER A 3 5.931 3.299 15.973 1.00 0.00 N ATOM 20 CA SER A 3 6.034 3.483 17.411 1.00 0.00 C ATOM 21 C SER A 3 5.742 2.164 18.130 1.00 0.00 C ATOM 22 O SER A 3 4.609 1.914 18.539 1.00 0.00 O ATOM 23 CB SER A 3 5.079 4.575 17.896 1.00 0.00 C ATOM 24 OG SER A 3 5.569 5.233 19.061 1.00 0.00 O ATOM 0 H SER A 3 5.038 2.922 15.654 1.00 0.00 H new ATOM 0 HA SER A 3 7.051 3.798 17.644 1.00 0.00 H new ATOM 0 HB2 SER A 3 4.931 5.306 17.102 1.00 0.00 H new ATOM 0 HB3 SER A 3 4.105 4.136 18.110 1.00 0.00 H new ATOM 0 HG SER A 3 4.932 5.924 19.339 1.00 0.00 H new ATOM 30 N GLY A 4 6.783 1.355 18.261 1.00 0.00 N ATOM 31 CA GLY A 4 6.653 0.069 18.924 1.00 0.00 C ATOM 32 C GLY A 4 6.344 -1.039 17.914 1.00 0.00 C ATOM 33 O GLY A 4 7.236 -1.508 17.209 1.00 0.00 O ATOM 0 H GLY A 4 7.721 1.565 17.919 1.00 0.00 H new ATOM 0 HA2 GLY A 4 7.575 -0.165 19.456 1.00 0.00 H new ATOM 0 HA3 GLY A 4 5.859 0.118 19.669 1.00 0.00 H new ATOM 37 N SER A 5 5.077 -1.425 17.876 1.00 0.00 N ATOM 38 CA SER A 5 4.639 -2.468 16.965 1.00 0.00 C ATOM 39 C SER A 5 4.486 -1.899 15.553 1.00 0.00 C ATOM 40 O SER A 5 3.588 -1.099 15.296 1.00 0.00 O ATOM 41 CB SER A 5 3.322 -3.091 17.432 1.00 0.00 C ATOM 42 OG SER A 5 2.784 -3.988 16.465 1.00 0.00 O ATOM 0 H SER A 5 4.340 -1.034 18.462 1.00 0.00 H new ATOM 0 HA SER A 5 5.396 -3.252 16.954 1.00 0.00 H new ATOM 0 HB2 SER A 5 3.485 -3.623 18.369 1.00 0.00 H new ATOM 0 HB3 SER A 5 2.599 -2.301 17.635 1.00 0.00 H new ATOM 0 HG SER A 5 1.945 -4.366 16.801 1.00 0.00 H new ATOM 48 N SER A 6 5.377 -2.334 14.674 1.00 0.00 N ATOM 49 CA SER A 6 5.352 -1.878 13.295 1.00 0.00 C ATOM 50 C SER A 6 4.712 -2.944 12.403 1.00 0.00 C ATOM 51 O SER A 6 4.630 -4.110 12.784 1.00 0.00 O ATOM 52 CB SER A 6 6.761 -1.547 12.798 1.00 0.00 C ATOM 53 OG SER A 6 7.690 -2.584 13.098 1.00 0.00 O ATOM 0 H SER A 6 6.121 -2.998 14.890 1.00 0.00 H new ATOM 0 HA SER A 6 4.756 -0.967 13.247 1.00 0.00 H new ATOM 0 HB2 SER A 6 6.736 -1.383 11.721 1.00 0.00 H new ATOM 0 HB3 SER A 6 7.097 -0.616 13.254 1.00 0.00 H new ATOM 0 HG SER A 6 8.577 -2.336 12.763 1.00 0.00 H new ATOM 59 N GLY A 7 4.275 -2.505 11.232 1.00 0.00 N ATOM 60 CA GLY A 7 3.645 -3.407 10.282 1.00 0.00 C ATOM 61 C GLY A 7 4.359 -4.760 10.254 1.00 0.00 C ATOM 62 O GLY A 7 5.497 -4.855 9.797 1.00 0.00 O ATOM 0 H GLY A 7 4.345 -1.537 10.919 1.00 0.00 H new ATOM 0 HA2 GLY A 7 2.598 -3.550 10.550 1.00 0.00 H new ATOM 0 HA3 GLY A 7 3.662 -2.962 9.287 1.00 0.00 H new ATOM 66 N GLN A 8 3.662 -5.772 10.748 1.00 0.00 N ATOM 67 CA GLN A 8 4.215 -7.115 10.785 1.00 0.00 C ATOM 68 C GLN A 8 3.348 -8.069 9.962 1.00 0.00 C ATOM 69 O GLN A 8 2.164 -7.812 9.751 1.00 0.00 O ATOM 70 CB GLN A 8 4.359 -7.609 12.226 1.00 0.00 C ATOM 71 CG GLN A 8 5.815 -7.950 12.546 1.00 0.00 C ATOM 72 CD GLN A 8 6.064 -9.456 12.431 1.00 0.00 C ATOM 73 OE1 GLN A 8 5.632 -10.247 13.254 1.00 0.00 O ATOM 74 NE2 GLN A 8 6.782 -9.806 11.368 1.00 0.00 N ATOM 0 H GLN A 8 2.718 -5.689 11.126 1.00 0.00 H new ATOM 0 HA GLN A 8 5.211 -7.089 10.344 1.00 0.00 H new ATOM 0 HB2 GLN A 8 4.002 -6.843 12.914 1.00 0.00 H new ATOM 0 HB3 GLN A 8 3.734 -8.489 12.377 1.00 0.00 H new ATOM 0 HG2 GLN A 8 6.476 -7.415 11.864 1.00 0.00 H new ATOM 0 HG3 GLN A 8 6.058 -7.614 13.554 1.00 0.00 H new ATOM 0 HE21 GLN A 8 7.113 -9.092 10.718 1.00 0.00 H new ATOM 0 HE22 GLN A 8 7.002 -10.788 11.202 1.00 0.00 H new ATOM 83 N LYS A 9 3.971 -9.151 9.519 1.00 0.00 N ATOM 84 CA LYS A 9 3.271 -10.145 8.723 1.00 0.00 C ATOM 85 C LYS A 9 2.782 -9.501 7.425 1.00 0.00 C ATOM 86 O LYS A 9 2.503 -8.303 7.389 1.00 0.00 O ATOM 87 CB LYS A 9 2.157 -10.800 9.543 1.00 0.00 C ATOM 88 CG LYS A 9 2.736 -11.730 10.610 1.00 0.00 C ATOM 89 CD LYS A 9 1.703 -12.768 11.053 1.00 0.00 C ATOM 90 CE LYS A 9 2.381 -13.975 11.703 1.00 0.00 C ATOM 91 NZ LYS A 9 2.243 -13.917 13.175 1.00 0.00 N ATOM 0 H LYS A 9 4.953 -9.361 9.696 1.00 0.00 H new ATOM 0 HA LYS A 9 3.946 -10.953 8.443 1.00 0.00 H new ATOM 0 HB2 LYS A 9 1.549 -10.030 10.018 1.00 0.00 H new ATOM 0 HB3 LYS A 9 1.498 -11.364 8.883 1.00 0.00 H new ATOM 0 HG2 LYS A 9 3.618 -12.235 10.217 1.00 0.00 H new ATOM 0 HG3 LYS A 9 3.060 -11.145 11.470 1.00 0.00 H new ATOM 0 HD2 LYS A 9 1.006 -12.315 11.758 1.00 0.00 H new ATOM 0 HD3 LYS A 9 1.119 -13.094 10.193 1.00 0.00 H new ATOM 0 HE2 LYS A 9 1.936 -14.896 11.326 1.00 0.00 H new ATOM 0 HE3 LYS A 9 3.436 -13.997 11.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 2.709 -14.744 13.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 2.688 -13.047 13.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 1.235 -13.919 13.429 1.00 0.00 H new ATOM 105 N ASN A 10 2.692 -10.323 6.390 1.00 0.00 N ATOM 106 CA ASN A 10 2.242 -9.848 5.093 1.00 0.00 C ATOM 107 C ASN A 10 3.244 -8.827 4.552 1.00 0.00 C ATOM 108 O ASN A 10 3.912 -8.139 5.322 1.00 0.00 O ATOM 109 CB ASN A 10 0.879 -9.161 5.201 1.00 0.00 C ATOM 110 CG ASN A 10 -0.163 -10.103 5.809 1.00 0.00 C ATOM 111 OD1 ASN A 10 -0.673 -9.888 6.896 1.00 0.00 O ATOM 112 ND2 ASN A 10 -0.450 -11.156 5.049 1.00 0.00 N ATOM 0 H ASN A 10 2.923 -11.316 6.423 1.00 0.00 H new ATOM 0 HA ASN A 10 2.161 -10.708 4.429 1.00 0.00 H new ATOM 0 HB2 ASN A 10 0.967 -8.265 5.815 1.00 0.00 H new ATOM 0 HB3 ASN A 10 0.551 -8.839 4.213 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -1.134 -11.843 5.367 1.00 0.00 H new ATOM 0 HD22 ASN A 10 0.014 -11.277 4.148 1.00 0.00 H new ATOM 119 N PRO A 11 3.320 -8.759 3.196 1.00 0.00 N ATOM 120 CA PRO A 11 4.229 -7.833 2.543 1.00 0.00 C ATOM 121 C PRO A 11 3.702 -6.399 2.620 1.00 0.00 C ATOM 122 O PRO A 11 3.888 -5.614 1.692 1.00 0.00 O ATOM 123 CB PRO A 11 4.354 -8.344 1.117 1.00 0.00 C ATOM 124 CG PRO A 11 3.158 -9.255 0.894 1.00 0.00 C ATOM 125 CD PRO A 11 2.544 -9.558 2.252 1.00 0.00 C ATOM 0 HA PRO A 11 5.206 -7.793 3.025 1.00 0.00 H new ATOM 0 HB2 PRO A 11 4.354 -7.519 0.405 1.00 0.00 H new ATOM 0 HB3 PRO A 11 5.289 -8.886 0.977 1.00 0.00 H new ATOM 0 HG2 PRO A 11 2.428 -8.774 0.243 1.00 0.00 H new ATOM 0 HG3 PRO A 11 3.467 -10.176 0.400 1.00 0.00 H new ATOM 0 HD2 PRO A 11 1.488 -9.288 2.279 1.00 0.00 H new ATOM 0 HD3 PRO A 11 2.607 -10.621 2.487 1.00 0.00 H new ATOM 133 N ASP A 12 3.053 -6.101 3.736 1.00 0.00 N ATOM 134 CA ASP A 12 2.497 -4.775 3.947 1.00 0.00 C ATOM 135 C ASP A 12 1.260 -4.599 3.063 1.00 0.00 C ATOM 136 O ASP A 12 0.160 -4.375 3.566 1.00 0.00 O ATOM 137 CB ASP A 12 3.505 -3.688 3.570 1.00 0.00 C ATOM 138 CG ASP A 12 4.928 -3.921 4.082 1.00 0.00 C ATOM 139 OD1 ASP A 12 5.575 -4.853 3.556 1.00 0.00 O ATOM 140 OD2 ASP A 12 5.337 -3.163 4.988 1.00 0.00 O ATOM 0 H ASP A 12 2.900 -6.755 4.504 1.00 0.00 H new ATOM 0 HA ASP A 12 2.243 -4.680 5.003 1.00 0.00 H new ATOM 0 HB2 ASP A 12 3.535 -3.602 2.484 1.00 0.00 H new ATOM 0 HB3 ASP A 12 3.148 -2.733 3.955 1.00 0.00 H new ATOM 145 N SER A 13 1.482 -4.707 1.761 1.00 0.00 N ATOM 146 CA SER A 13 0.400 -4.563 0.803 1.00 0.00 C ATOM 147 C SER A 13 -0.622 -5.685 0.995 1.00 0.00 C ATOM 148 O SER A 13 -0.535 -6.726 0.345 1.00 0.00 O ATOM 149 CB SER A 13 0.930 -4.567 -0.632 1.00 0.00 C ATOM 150 OG SER A 13 1.393 -5.856 -1.026 1.00 0.00 O ATOM 0 H SER A 13 2.396 -4.893 1.348 1.00 0.00 H new ATOM 0 HA SER A 13 -0.086 -3.604 0.979 1.00 0.00 H new ATOM 0 HB2 SER A 13 0.142 -4.242 -1.311 1.00 0.00 H new ATOM 0 HB3 SER A 13 1.743 -3.847 -0.720 1.00 0.00 H new ATOM 0 HG SER A 13 0.677 -6.513 -0.902 1.00 0.00 H new ATOM 156 N TYR A 14 -1.567 -5.436 1.889 1.00 0.00 N ATOM 157 CA TYR A 14 -2.604 -6.412 2.174 1.00 0.00 C ATOM 158 C TYR A 14 -3.540 -6.585 0.975 1.00 0.00 C ATOM 159 O TYR A 14 -3.717 -5.660 0.184 1.00 0.00 O ATOM 160 CB TYR A 14 -3.403 -5.849 3.351 1.00 0.00 C ATOM 161 CG TYR A 14 -3.977 -6.918 4.282 1.00 0.00 C ATOM 162 CD1 TYR A 14 -5.149 -7.567 3.948 1.00 0.00 C ATOM 163 CD2 TYR A 14 -3.324 -7.234 5.456 1.00 0.00 C ATOM 164 CE1 TYR A 14 -5.690 -8.573 4.825 1.00 0.00 C ATOM 165 CE2 TYR A 14 -3.865 -8.240 6.333 1.00 0.00 C ATOM 166 CZ TYR A 14 -5.021 -8.860 5.974 1.00 0.00 C ATOM 167 OH TYR A 14 -5.532 -9.810 6.801 1.00 0.00 O ATOM 0 H TYR A 14 -1.636 -4.572 2.426 1.00 0.00 H new ATOM 0 HA TYR A 14 -2.164 -7.384 2.394 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -2.760 -5.186 3.929 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -4.221 -5.242 2.964 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -5.660 -7.320 3.029 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -2.407 -6.727 5.717 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -6.606 -9.088 4.576 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -3.364 -8.496 7.255 1.00 0.00 H new ATOM 0 HH TYR A 14 -4.949 -9.911 7.582 1.00 0.00 H new ATOM 177 N ASN A 15 -4.113 -7.776 0.879 1.00 0.00 N ATOM 178 CA ASN A 15 -5.025 -8.081 -0.210 1.00 0.00 C ATOM 179 C ASN A 15 -6.312 -7.273 -0.033 1.00 0.00 C ATOM 180 O ASN A 15 -6.988 -7.391 0.988 1.00 0.00 O ATOM 181 CB ASN A 15 -5.397 -9.565 -0.217 1.00 0.00 C ATOM 182 CG ASN A 15 -4.221 -10.423 -0.689 1.00 0.00 C ATOM 183 OD1 ASN A 15 -3.284 -10.694 0.043 1.00 0.00 O ATOM 184 ND2 ASN A 15 -4.322 -10.832 -1.951 1.00 0.00 N ATOM 0 H ASN A 15 -3.963 -8.541 1.537 1.00 0.00 H new ATOM 0 HA ASN A 15 -4.528 -7.829 -1.147 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -5.698 -9.873 0.784 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -6.254 -9.726 -0.871 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -3.587 -11.409 -2.361 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -5.134 -10.569 -2.509 1.00 0.00 H new ATOM 191 N GLY A 16 -6.612 -6.469 -1.043 1.00 0.00 N ATOM 192 CA GLY A 16 -7.806 -5.642 -1.012 1.00 0.00 C ATOM 193 C GLY A 16 -7.535 -4.266 -1.624 1.00 0.00 C ATOM 194 O GLY A 16 -7.908 -3.243 -1.051 1.00 0.00 O ATOM 0 H GLY A 16 -6.049 -6.373 -1.888 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -8.609 -6.136 -1.559 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -8.146 -5.526 0.017 1.00 0.00 H new ATOM 198 N ALA A 17 -6.887 -4.285 -2.780 1.00 0.00 N ATOM 199 CA ALA A 17 -6.562 -3.051 -3.476 1.00 0.00 C ATOM 200 C ALA A 17 -5.597 -2.228 -2.621 1.00 0.00 C ATOM 201 O ALA A 17 -5.948 -1.793 -1.525 1.00 0.00 O ATOM 202 CB ALA A 17 -7.850 -2.291 -3.796 1.00 0.00 C ATOM 0 H ALA A 17 -6.578 -5.135 -3.252 1.00 0.00 H new ATOM 0 HA ALA A 17 -6.065 -3.264 -4.423 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -7.606 -1.366 -4.318 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -8.488 -2.907 -4.429 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -8.375 -2.058 -2.869 1.00 0.00 H new ATOM 208 N VAL A 18 -4.399 -2.038 -3.155 1.00 0.00 N ATOM 209 CA VAL A 18 -3.380 -1.275 -2.454 1.00 0.00 C ATOM 210 C VAL A 18 -2.863 -0.163 -3.369 1.00 0.00 C ATOM 211 O VAL A 18 -3.408 0.061 -4.449 1.00 0.00 O ATOM 212 CB VAL A 18 -2.272 -2.208 -1.963 1.00 0.00 C ATOM 213 CG1 VAL A 18 -2.700 -2.947 -0.694 1.00 0.00 C ATOM 214 CG2 VAL A 18 -1.859 -3.193 -3.059 1.00 0.00 C ATOM 0 H VAL A 18 -4.111 -2.399 -4.065 1.00 0.00 H new ATOM 0 HA VAL A 18 -3.801 -0.799 -1.569 1.00 0.00 H new ATOM 0 HB VAL A 18 -1.403 -1.597 -1.718 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -1.894 -3.604 -0.366 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -2.921 -2.224 0.091 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -3.590 -3.541 -0.901 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -1.070 -3.845 -2.684 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.720 -3.795 -3.350 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -1.493 -2.641 -3.925 1.00 0.00 H new ATOM 224 N ARG A 19 -1.817 0.505 -2.904 1.00 0.00 N ATOM 225 CA ARG A 19 -1.221 1.588 -3.667 1.00 0.00 C ATOM 226 C ARG A 19 -2.308 2.398 -4.377 1.00 0.00 C ATOM 227 O ARG A 19 -3.348 2.696 -3.792 1.00 0.00 O ATOM 228 CB ARG A 19 -0.233 1.052 -4.705 1.00 0.00 C ATOM 229 CG ARG A 19 0.773 0.096 -4.062 1.00 0.00 C ATOM 230 CD ARG A 19 0.162 -1.293 -3.864 1.00 0.00 C ATOM 231 NE ARG A 19 0.880 -2.285 -4.695 1.00 0.00 N ATOM 232 CZ ARG A 19 2.065 -2.819 -4.371 1.00 0.00 C ATOM 233 NH1 ARG A 19 2.673 -2.459 -3.232 1.00 0.00 N ATOM 234 NH2 ARG A 19 2.643 -3.712 -5.185 1.00 0.00 N ATOM 0 H ARG A 19 -1.367 0.317 -2.008 1.00 0.00 H new ATOM 0 HA ARG A 19 -0.684 2.229 -2.968 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -0.776 0.536 -5.496 1.00 0.00 H new ATOM 0 HB3 ARG A 19 0.296 1.883 -5.171 1.00 0.00 H new ATOM 0 HG2 ARG A 19 1.661 0.020 -4.690 1.00 0.00 H new ATOM 0 HG3 ARG A 19 1.096 0.495 -3.101 1.00 0.00 H new ATOM 0 HD2 ARG A 19 0.218 -1.578 -2.813 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -0.894 -1.277 -4.134 1.00 0.00 H new ATOM 0 HE ARG A 19 0.445 -2.581 -5.569 1.00 0.00 H new ATOM 0 HH11 ARG A 19 2.233 -1.779 -2.612 1.00 0.00 H new ATOM 0 HH12 ARG A 19 3.575 -2.865 -2.985 1.00 0.00 H new ATOM 0 HH21 ARG A 19 2.181 -3.986 -6.052 1.00 0.00 H new ATOM 0 HH22 ARG A 19 3.545 -4.118 -4.938 1.00 0.00 H new ATOM 248 N GLU A 20 -2.029 2.731 -5.629 1.00 0.00 N ATOM 249 CA GLU A 20 -2.970 3.501 -6.425 1.00 0.00 C ATOM 250 C GLU A 20 -2.927 4.975 -6.020 1.00 0.00 C ATOM 251 O GLU A 20 -3.961 5.571 -5.722 1.00 0.00 O ATOM 252 CB GLU A 20 -4.387 2.938 -6.296 1.00 0.00 C ATOM 253 CG GLU A 20 -5.051 2.804 -7.668 1.00 0.00 C ATOM 254 CD GLU A 20 -5.258 1.333 -8.036 1.00 0.00 C ATOM 255 OE1 GLU A 20 -4.247 0.686 -8.383 1.00 0.00 O ATOM 256 OE2 GLU A 20 -6.424 0.889 -7.961 1.00 0.00 O ATOM 0 H GLU A 20 -1.165 2.482 -6.111 1.00 0.00 H new ATOM 0 HA GLU A 20 -2.678 3.424 -7.472 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -4.352 1.964 -5.808 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -4.985 3.591 -5.661 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -6.011 3.320 -7.663 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -4.433 3.288 -8.424 1.00 0.00 H new ATOM 263 N ASN A 21 -1.720 5.521 -6.020 1.00 0.00 N ATOM 264 CA ASN A 21 -1.529 6.915 -5.656 1.00 0.00 C ATOM 265 C ASN A 21 -1.362 7.023 -4.139 1.00 0.00 C ATOM 266 O ASN A 21 -1.109 8.106 -3.614 1.00 0.00 O ATOM 267 CB ASN A 21 -2.738 7.761 -6.060 1.00 0.00 C ATOM 268 CG ASN A 21 -2.349 9.232 -6.221 1.00 0.00 C ATOM 269 OD1 ASN A 21 -1.184 9.594 -6.241 1.00 0.00 O ATOM 270 ND2 ASN A 21 -3.386 10.056 -6.334 1.00 0.00 N ATOM 0 H ASN A 21 -0.864 5.023 -6.266 1.00 0.00 H new ATOM 0 HA ASN A 21 -0.644 7.281 -6.176 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -3.152 7.386 -6.996 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -3.520 7.668 -5.306 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -3.231 11.058 -6.446 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -4.336 9.686 -6.309 1.00 0.00 H new ATOM 277 N TYR A 22 -1.510 5.885 -3.477 1.00 0.00 N ATOM 278 CA TYR A 22 -1.379 5.837 -2.031 1.00 0.00 C ATOM 279 C TYR A 22 -1.746 4.453 -1.492 1.00 0.00 C ATOM 280 O TYR A 22 -2.788 3.902 -1.843 1.00 0.00 O ATOM 281 CB TYR A 22 -2.373 6.864 -1.484 1.00 0.00 C ATOM 282 CG TYR A 22 -3.779 6.745 -2.075 1.00 0.00 C ATOM 283 CD1 TYR A 22 -4.642 5.773 -1.613 1.00 0.00 C ATOM 284 CD2 TYR A 22 -4.184 7.611 -3.071 1.00 0.00 C ATOM 285 CE1 TYR A 22 -5.966 5.661 -2.169 1.00 0.00 C ATOM 286 CE2 TYR A 22 -5.508 7.499 -3.627 1.00 0.00 C ATOM 287 CZ TYR A 22 -6.333 6.530 -3.149 1.00 0.00 C ATOM 288 OH TYR A 22 -7.583 6.424 -3.675 1.00 0.00 O ATOM 0 H TYR A 22 -1.720 4.988 -3.916 1.00 0.00 H new ATOM 0 HA TYR A 22 -0.352 6.047 -1.732 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -2.435 6.754 -0.401 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -1.991 7.865 -1.681 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -4.325 5.096 -0.834 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -3.509 8.372 -3.433 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -6.651 4.905 -1.816 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -5.838 8.170 -4.406 1.00 0.00 H new ATOM 0 HH TYR A 22 -8.196 6.075 -2.994 1.00 0.00 H new ATOM 298 N THR A 23 -0.869 3.931 -0.647 1.00 0.00 N ATOM 299 CA THR A 23 -1.087 2.621 -0.057 1.00 0.00 C ATOM 300 C THR A 23 -1.944 2.742 1.205 1.00 0.00 C ATOM 301 O THR A 23 -1.798 3.693 1.971 1.00 0.00 O ATOM 302 CB THR A 23 0.280 1.983 0.197 1.00 0.00 C ATOM 303 OG1 THR A 23 1.119 2.549 -0.807 1.00 0.00 O ATOM 304 CG2 THR A 23 0.293 0.484 -0.110 1.00 0.00 C ATOM 0 H THR A 23 -0.006 4.391 -0.357 1.00 0.00 H new ATOM 0 HA THR A 23 -1.645 1.971 -0.731 1.00 0.00 H new ATOM 0 HB THR A 23 0.568 2.144 1.236 1.00 0.00 H new ATOM 0 HG1 THR A 23 2.027 2.191 -0.715 1.00 0.00 H new ATOM 0 HG21 THR A 23 1.286 0.081 0.087 1.00 0.00 H new ATOM 0 HG22 THR A 23 -0.436 -0.023 0.522 1.00 0.00 H new ATOM 0 HG23 THR A 23 0.038 0.325 -1.158 1.00 0.00 H new ATOM 312 N TRP A 24 -2.820 1.763 1.382 1.00 0.00 N ATOM 313 CA TRP A 24 -3.701 1.748 2.538 1.00 0.00 C ATOM 314 C TRP A 24 -3.907 0.290 2.955 1.00 0.00 C ATOM 315 O TRP A 24 -3.684 -0.624 2.163 1.00 0.00 O ATOM 316 CB TRP A 24 -5.013 2.475 2.237 1.00 0.00 C ATOM 317 CG TRP A 24 -6.045 1.617 1.501 1.00 0.00 C ATOM 318 CD1 TRP A 24 -6.121 1.365 0.187 1.00 0.00 C ATOM 319 CD2 TRP A 24 -7.151 0.906 2.094 1.00 0.00 C ATOM 320 NE1 TRP A 24 -7.192 0.546 -0.109 1.00 0.00 N ATOM 321 CE2 TRP A 24 -7.838 0.257 1.087 1.00 0.00 C ATOM 322 CE3 TRP A 24 -7.558 0.812 3.436 1.00 0.00 C ATOM 323 CZ2 TRP A 24 -8.973 -0.530 1.317 1.00 0.00 C ATOM 324 CZ3 TRP A 24 -8.694 0.022 3.649 1.00 0.00 C ATOM 325 CH2 TRP A 24 -9.397 -0.637 2.647 1.00 0.00 C ATOM 0 H TRP A 24 -2.938 0.975 0.745 1.00 0.00 H new ATOM 0 HA TRP A 24 -3.254 2.289 3.372 1.00 0.00 H new ATOM 0 HB2 TRP A 24 -5.447 2.823 3.174 1.00 0.00 H new ATOM 0 HB3 TRP A 24 -4.797 3.360 1.638 1.00 0.00 H new ATOM 0 HD1 TRP A 24 -5.431 1.754 -0.548 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -7.460 0.214 -1.035 1.00 0.00 H new ATOM 0 HE3 TRP A 24 -7.036 1.310 4.239 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -9.493 -1.028 0.512 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -9.049 -0.083 4.663 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -10.266 -1.229 2.893 1.00 0.00 H new ATOM 336 N SER A 25 -4.330 0.119 4.199 1.00 0.00 N ATOM 337 CA SER A 25 -4.568 -1.212 4.731 1.00 0.00 C ATOM 338 C SER A 25 -5.607 -1.149 5.853 1.00 0.00 C ATOM 339 O SER A 25 -6.077 -0.069 6.208 1.00 0.00 O ATOM 340 CB SER A 25 -3.271 -1.841 5.244 1.00 0.00 C ATOM 341 OG SER A 25 -2.714 -1.106 6.330 1.00 0.00 O ATOM 0 H SER A 25 -4.514 0.879 4.853 1.00 0.00 H new ATOM 0 HA SER A 25 -4.950 -1.839 3.925 1.00 0.00 H new ATOM 0 HB2 SER A 25 -3.466 -2.865 5.562 1.00 0.00 H new ATOM 0 HB3 SER A 25 -2.547 -1.892 4.431 1.00 0.00 H new ATOM 0 HG SER A 25 -1.888 -1.540 6.630 1.00 0.00 H new ATOM 347 N GLN A 26 -5.934 -2.319 6.380 1.00 0.00 N ATOM 348 CA GLN A 26 -6.909 -2.410 7.454 1.00 0.00 C ATOM 349 C GLN A 26 -6.563 -3.573 8.387 1.00 0.00 C ATOM 350 O GLN A 26 -6.566 -4.730 7.969 1.00 0.00 O ATOM 351 CB GLN A 26 -8.326 -2.556 6.898 1.00 0.00 C ATOM 352 CG GLN A 26 -8.447 -3.806 6.024 1.00 0.00 C ATOM 353 CD GLN A 26 -9.015 -3.460 4.646 1.00 0.00 C ATOM 354 OE1 GLN A 26 -10.196 -3.203 4.480 1.00 0.00 O ATOM 355 NE2 GLN A 26 -8.111 -3.466 3.671 1.00 0.00 N ATOM 0 H GLN A 26 -5.541 -3.213 6.084 1.00 0.00 H new ATOM 0 HA GLN A 26 -6.874 -1.485 8.029 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -9.039 -2.613 7.721 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -8.584 -1.673 6.313 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -7.468 -4.271 5.911 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -9.092 -4.536 6.514 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -7.138 -3.690 3.879 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -8.391 -3.246 2.715 1.00 0.00 H new ATOM 364 N ASP A 27 -6.274 -3.225 9.632 1.00 0.00 N ATOM 365 CA ASP A 27 -5.928 -4.226 10.627 1.00 0.00 C ATOM 366 C ASP A 27 -6.720 -3.960 11.909 1.00 0.00 C ATOM 367 O ASP A 27 -6.775 -2.827 12.385 1.00 0.00 O ATOM 368 CB ASP A 27 -4.438 -4.168 10.971 1.00 0.00 C ATOM 369 CG ASP A 27 -3.547 -3.563 9.885 1.00 0.00 C ATOM 370 OD1 ASP A 27 -3.175 -4.326 8.967 1.00 0.00 O ATOM 371 OD2 ASP A 27 -3.257 -2.352 9.997 1.00 0.00 O ATOM 0 H ASP A 27 -6.272 -2.264 9.975 1.00 0.00 H new ATOM 0 HA ASP A 27 -6.165 -5.207 10.215 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -4.314 -3.589 11.886 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -4.090 -5.179 11.184 1.00 0.00 H new ATOM 376 N TYR A 28 -7.313 -5.023 12.432 1.00 0.00 N ATOM 377 CA TYR A 28 -8.099 -4.919 13.649 1.00 0.00 C ATOM 378 C TYR A 28 -9.370 -4.101 13.412 1.00 0.00 C ATOM 379 O TYR A 28 -10.478 -4.631 13.487 1.00 0.00 O ATOM 380 CB TYR A 28 -7.216 -4.185 14.660 1.00 0.00 C ATOM 381 CG TYR A 28 -7.280 -4.761 16.076 1.00 0.00 C ATOM 382 CD1 TYR A 28 -7.237 -6.127 16.268 1.00 0.00 C ATOM 383 CD2 TYR A 28 -7.382 -3.915 17.161 1.00 0.00 C ATOM 384 CE1 TYR A 28 -7.297 -6.669 17.600 1.00 0.00 C ATOM 385 CE2 TYR A 28 -7.442 -4.457 18.494 1.00 0.00 C ATOM 386 CZ TYR A 28 -7.397 -5.807 18.648 1.00 0.00 C ATOM 387 OH TYR A 28 -7.454 -6.320 19.906 1.00 0.00 O ATOM 0 H TYR A 28 -7.265 -5.961 12.035 1.00 0.00 H new ATOM 0 HA TYR A 28 -8.400 -5.907 13.997 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -6.183 -4.214 14.313 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -7.512 -3.136 14.692 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -7.158 -6.789 15.419 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -7.417 -2.846 17.011 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -7.263 -7.736 17.764 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -7.521 -3.806 19.352 1.00 0.00 H new ATOM 0 HH TYR A 28 -7.523 -5.589 20.555 1.00 0.00 H new ATOM 397 N THR A 29 -9.169 -2.822 13.131 1.00 0.00 N ATOM 398 CA THR A 29 -10.285 -1.925 12.882 1.00 0.00 C ATOM 399 C THR A 29 -9.785 -0.491 12.695 1.00 0.00 C ATOM 400 O THR A 29 -10.126 0.396 13.477 1.00 0.00 O ATOM 401 CB THR A 29 -11.279 -2.077 14.036 1.00 0.00 C ATOM 402 OG1 THR A 29 -12.068 -0.892 13.972 1.00 0.00 O ATOM 403 CG2 THR A 29 -10.602 -2.000 15.406 1.00 0.00 C ATOM 0 H THR A 29 -8.249 -2.385 13.070 1.00 0.00 H new ATOM 0 HA THR A 29 -10.799 -2.180 11.955 1.00 0.00 H new ATOM 0 HB THR A 29 -11.801 -3.029 13.942 1.00 0.00 H new ATOM 0 HG1 THR A 29 -11.545 -0.133 14.304 1.00 0.00 H new ATOM 0 HG21 THR A 29 -11.352 -2.114 16.189 1.00 0.00 H new ATOM 0 HG22 THR A 29 -9.864 -2.797 15.492 1.00 0.00 H new ATOM 0 HG23 THR A 29 -10.108 -1.034 15.514 1.00 0.00 H new ATOM 411 N ASP A 30 -8.986 -0.308 11.654 1.00 0.00 N ATOM 412 CA ASP A 30 -8.437 1.003 11.355 1.00 0.00 C ATOM 413 C ASP A 30 -8.038 1.059 9.879 1.00 0.00 C ATOM 414 O ASP A 30 -8.215 0.086 9.147 1.00 0.00 O ATOM 415 CB ASP A 30 -7.187 1.282 12.193 1.00 0.00 C ATOM 416 CG ASP A 30 -6.183 0.129 12.259 1.00 0.00 C ATOM 417 OD1 ASP A 30 -5.662 -0.231 11.182 1.00 0.00 O ATOM 418 OD2 ASP A 30 -5.960 -0.365 13.385 1.00 0.00 O ATOM 0 H ASP A 30 -8.706 -1.046 11.008 1.00 0.00 H new ATOM 0 HA ASP A 30 -9.199 1.748 11.585 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -6.684 2.159 11.787 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -7.496 1.533 13.208 1.00 0.00 H new ATOM 423 N LEU A 31 -7.506 2.207 9.485 1.00 0.00 N ATOM 424 CA LEU A 31 -7.081 2.403 8.110 1.00 0.00 C ATOM 425 C LEU A 31 -5.725 3.110 8.095 1.00 0.00 C ATOM 426 O LEU A 31 -5.653 4.325 8.278 1.00 0.00 O ATOM 427 CB LEU A 31 -8.164 3.132 7.312 1.00 0.00 C ATOM 428 CG LEU A 31 -9.600 2.658 7.542 1.00 0.00 C ATOM 429 CD1 LEU A 31 -10.391 3.680 8.361 1.00 0.00 C ATOM 430 CD2 LEU A 31 -10.289 2.331 6.216 1.00 0.00 C ATOM 0 H LEU A 31 -7.360 3.011 10.095 1.00 0.00 H new ATOM 0 HA LEU A 31 -6.945 1.442 7.614 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -8.110 4.194 7.551 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -7.935 3.032 6.251 1.00 0.00 H new ATOM 0 HG LEU A 31 -9.566 1.737 8.123 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -11.408 3.318 8.510 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -9.911 3.821 9.329 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -10.418 4.630 7.828 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -11.308 1.997 6.408 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -10.312 3.222 5.588 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -9.738 1.541 5.705 1.00 0.00 H new ATOM 442 N GLU A 32 -4.683 2.321 7.877 1.00 0.00 N ATOM 443 CA GLU A 32 -3.333 2.857 7.837 1.00 0.00 C ATOM 444 C GLU A 32 -2.908 3.116 6.390 1.00 0.00 C ATOM 445 O GLU A 32 -2.598 2.180 5.654 1.00 0.00 O ATOM 446 CB GLU A 32 -2.350 1.919 8.538 1.00 0.00 C ATOM 447 CG GLU A 32 -1.755 2.579 9.784 1.00 0.00 C ATOM 448 CD GLU A 32 -1.668 1.585 10.944 1.00 0.00 C ATOM 449 OE1 GLU A 32 -1.435 0.392 10.652 1.00 0.00 O ATOM 450 OE2 GLU A 32 -1.837 2.040 12.095 1.00 0.00 O ATOM 0 H GLU A 32 -4.747 1.314 7.726 1.00 0.00 H new ATOM 0 HA GLU A 32 -3.323 3.806 8.373 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -2.859 0.997 8.819 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -1.550 1.645 7.850 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -0.761 2.965 9.556 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -2.368 3.431 10.076 1.00 0.00 H new ATOM 457 N VAL A 33 -2.906 4.389 6.026 1.00 0.00 N ATOM 458 CA VAL A 33 -2.523 4.783 4.680 1.00 0.00 C ATOM 459 C VAL A 33 -1.275 5.665 4.747 1.00 0.00 C ATOM 460 O VAL A 33 -1.275 6.697 5.415 1.00 0.00 O ATOM 461 CB VAL A 33 -3.701 5.464 3.980 1.00 0.00 C ATOM 462 CG1 VAL A 33 -4.512 6.307 4.966 1.00 0.00 C ATOM 463 CG2 VAL A 33 -3.220 6.311 2.800 1.00 0.00 C ATOM 0 H VAL A 33 -3.164 5.162 6.639 1.00 0.00 H new ATOM 0 HA VAL A 33 -2.269 3.907 4.083 1.00 0.00 H new ATOM 0 HB VAL A 33 -4.356 4.685 3.589 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -5.343 6.780 4.443 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -4.899 5.667 5.759 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -3.872 7.075 5.400 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -4.076 6.784 2.319 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -2.535 7.079 3.159 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -2.706 5.674 2.080 1.00 0.00 H new ATOM 473 N ARG A 34 -0.241 5.226 4.045 1.00 0.00 N ATOM 474 CA ARG A 34 1.011 5.962 4.015 1.00 0.00 C ATOM 475 C ARG A 34 1.288 6.482 2.603 1.00 0.00 C ATOM 476 O ARG A 34 1.242 5.721 1.638 1.00 0.00 O ATOM 477 CB ARG A 34 2.179 5.082 4.466 1.00 0.00 C ATOM 478 CG ARG A 34 2.563 5.381 5.917 1.00 0.00 C ATOM 479 CD ARG A 34 3.725 4.496 6.370 1.00 0.00 C ATOM 480 NE ARG A 34 3.243 3.481 7.333 1.00 0.00 N ATOM 481 CZ ARG A 34 4.047 2.675 8.040 1.00 0.00 C ATOM 482 NH1 ARG A 34 5.376 2.760 7.895 1.00 0.00 N ATOM 483 NH2 ARG A 34 3.521 1.784 8.892 1.00 0.00 N ATOM 0 H ARG A 34 -0.245 4.369 3.492 1.00 0.00 H new ATOM 0 HA ARG A 34 0.918 6.802 4.703 1.00 0.00 H new ATOM 0 HB2 ARG A 34 1.906 4.031 4.367 1.00 0.00 H new ATOM 0 HB3 ARG A 34 3.038 5.251 3.817 1.00 0.00 H new ATOM 0 HG2 ARG A 34 2.841 6.430 6.014 1.00 0.00 H new ATOM 0 HG3 ARG A 34 1.702 5.218 6.566 1.00 0.00 H new ATOM 0 HD2 ARG A 34 4.177 4.005 5.508 1.00 0.00 H new ATOM 0 HD3 ARG A 34 4.500 5.108 6.831 1.00 0.00 H new ATOM 0 HE ARG A 34 2.236 3.389 7.467 1.00 0.00 H new ATOM 0 HH11 ARG A 34 5.776 3.438 7.247 1.00 0.00 H new ATOM 0 HH12 ARG A 34 5.988 2.147 8.433 1.00 0.00 H new ATOM 0 HH21 ARG A 34 2.509 1.720 9.002 1.00 0.00 H new ATOM 0 HH22 ARG A 34 4.133 1.170 9.430 1.00 0.00 H new ATOM 497 N VAL A 35 1.570 7.774 2.528 1.00 0.00 N ATOM 498 CA VAL A 35 1.855 8.405 1.250 1.00 0.00 C ATOM 499 C VAL A 35 3.364 8.617 1.116 1.00 0.00 C ATOM 500 O VAL A 35 4.005 9.140 2.027 1.00 0.00 O ATOM 501 CB VAL A 35 1.055 9.702 1.116 1.00 0.00 C ATOM 502 CG1 VAL A 35 1.329 10.379 -0.228 1.00 0.00 C ATOM 503 CG2 VAL A 35 -0.442 9.445 1.306 1.00 0.00 C ATOM 0 H VAL A 35 1.607 8.402 3.331 1.00 0.00 H new ATOM 0 HA VAL A 35 1.543 7.760 0.428 1.00 0.00 H new ATOM 0 HB VAL A 35 1.381 10.380 1.905 1.00 0.00 H new ATOM 0 HG11 VAL A 35 0.748 11.299 -0.297 1.00 0.00 H new ATOM 0 HG12 VAL A 35 2.390 10.614 -0.307 1.00 0.00 H new ATOM 0 HG13 VAL A 35 1.044 9.708 -1.038 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -0.988 10.383 1.206 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -0.789 8.741 0.550 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -0.617 9.028 2.298 1.00 0.00 H new ATOM 513 N PRO A 36 3.903 8.189 -0.057 1.00 0.00 N ATOM 514 CA PRO A 36 5.325 8.327 -0.322 1.00 0.00 C ATOM 515 C PRO A 36 5.684 9.778 -0.647 1.00 0.00 C ATOM 516 O PRO A 36 4.972 10.445 -1.397 1.00 0.00 O ATOM 517 CB PRO A 36 5.605 7.374 -1.473 1.00 0.00 C ATOM 518 CG PRO A 36 4.257 7.086 -2.113 1.00 0.00 C ATOM 519 CD PRO A 36 3.175 7.565 -1.158 1.00 0.00 C ATOM 0 HA PRO A 36 5.940 8.078 0.543 1.00 0.00 H new ATOM 0 HB2 PRO A 36 6.291 7.821 -2.192 1.00 0.00 H new ATOM 0 HB3 PRO A 36 6.072 6.456 -1.115 1.00 0.00 H new ATOM 0 HG2 PRO A 36 4.173 7.597 -3.072 1.00 0.00 H new ATOM 0 HG3 PRO A 36 4.148 6.019 -2.309 1.00 0.00 H new ATOM 0 HD2 PRO A 36 2.505 8.275 -1.643 1.00 0.00 H new ATOM 0 HD3 PRO A 36 2.561 6.736 -0.807 1.00 0.00 H new ATOM 527 N VAL A 37 6.787 10.226 -0.066 1.00 0.00 N ATOM 528 CA VAL A 37 7.249 11.586 -0.284 1.00 0.00 C ATOM 529 C VAL A 37 8.656 11.552 -0.886 1.00 0.00 C ATOM 530 O VAL A 37 9.364 10.554 -0.762 1.00 0.00 O ATOM 531 CB VAL A 37 7.177 12.379 1.022 1.00 0.00 C ATOM 532 CG1 VAL A 37 5.741 12.439 1.548 1.00 0.00 C ATOM 533 CG2 VAL A 37 8.122 11.793 2.073 1.00 0.00 C ATOM 0 H VAL A 37 7.375 9.671 0.556 1.00 0.00 H new ATOM 0 HA VAL A 37 6.603 12.099 -0.996 1.00 0.00 H new ATOM 0 HB VAL A 37 7.501 13.399 0.813 1.00 0.00 H new ATOM 0 HG11 VAL A 37 5.717 13.008 2.477 1.00 0.00 H new ATOM 0 HG12 VAL A 37 5.103 12.924 0.809 1.00 0.00 H new ATOM 0 HG13 VAL A 37 5.379 11.428 1.733 1.00 0.00 H new ATOM 0 HG21 VAL A 37 8.051 12.376 2.991 1.00 0.00 H new ATOM 0 HG22 VAL A 37 7.843 10.759 2.277 1.00 0.00 H new ATOM 0 HG23 VAL A 37 9.146 11.826 1.701 1.00 0.00 H new ATOM 543 N PRO A 38 9.028 12.684 -1.541 1.00 0.00 N ATOM 544 CA PRO A 38 10.337 12.793 -2.162 1.00 0.00 C ATOM 545 C PRO A 38 11.428 13.002 -1.110 1.00 0.00 C ATOM 546 O PRO A 38 11.135 13.108 0.080 1.00 0.00 O ATOM 547 CB PRO A 38 10.217 13.957 -3.132 1.00 0.00 C ATOM 548 CG PRO A 38 8.998 14.748 -2.685 1.00 0.00 C ATOM 549 CD PRO A 38 8.216 13.886 -1.708 1.00 0.00 C ATOM 0 HA PRO A 38 10.630 11.883 -2.686 1.00 0.00 H new ATOM 0 HB2 PRO A 38 11.114 14.576 -3.112 1.00 0.00 H new ATOM 0 HB3 PRO A 38 10.098 13.602 -4.156 1.00 0.00 H new ATOM 0 HG2 PRO A 38 9.301 15.682 -2.212 1.00 0.00 H new ATOM 0 HG3 PRO A 38 8.378 15.011 -3.542 1.00 0.00 H new ATOM 0 HD2 PRO A 38 8.068 14.399 -0.758 1.00 0.00 H new ATOM 0 HD3 PRO A 38 7.227 13.645 -2.097 1.00 0.00 H new ATOM 557 N LYS A 39 12.663 13.056 -1.586 1.00 0.00 N ATOM 558 CA LYS A 39 13.799 13.251 -0.701 1.00 0.00 C ATOM 559 C LYS A 39 14.000 14.748 -0.459 1.00 0.00 C ATOM 560 O LYS A 39 15.025 15.160 0.083 1.00 0.00 O ATOM 561 CB LYS A 39 15.038 12.545 -1.256 1.00 0.00 C ATOM 562 CG LYS A 39 14.644 11.367 -2.149 1.00 0.00 C ATOM 563 CD LYS A 39 14.707 11.754 -3.627 1.00 0.00 C ATOM 564 CE LYS A 39 13.784 10.868 -4.467 1.00 0.00 C ATOM 565 NZ LYS A 39 14.388 10.599 -5.791 1.00 0.00 N ATOM 0 H LYS A 39 12.902 12.968 -2.574 1.00 0.00 H new ATOM 0 HA LYS A 39 13.609 12.794 0.270 1.00 0.00 H new ATOM 0 HB2 LYS A 39 15.639 13.253 -1.826 1.00 0.00 H new ATOM 0 HB3 LYS A 39 15.658 12.190 -0.433 1.00 0.00 H new ATOM 0 HG2 LYS A 39 15.310 10.525 -1.961 1.00 0.00 H new ATOM 0 HG3 LYS A 39 13.636 11.038 -1.898 1.00 0.00 H new ATOM 0 HD2 LYS A 39 14.420 12.799 -3.745 1.00 0.00 H new ATOM 0 HD3 LYS A 39 15.732 11.662 -3.987 1.00 0.00 H new ATOM 0 HE2 LYS A 39 13.600 9.928 -3.947 1.00 0.00 H new ATOM 0 HE3 LYS A 39 12.818 11.356 -4.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 13.749 9.997 -6.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 14.541 11.498 -6.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 15.299 10.113 -5.665 1.00 0.00 H new ATOM 579 N HIS A 40 13.007 15.521 -0.873 1.00 0.00 N ATOM 580 CA HIS A 40 13.063 16.964 -0.708 1.00 0.00 C ATOM 581 C HIS A 40 12.004 17.405 0.304 1.00 0.00 C ATOM 582 O HIS A 40 11.920 18.584 0.645 1.00 0.00 O ATOM 583 CB HIS A 40 12.924 17.670 -2.058 1.00 0.00 C ATOM 584 CG HIS A 40 11.504 17.746 -2.568 1.00 0.00 C ATOM 585 ND1 HIS A 40 11.091 17.120 -3.731 1.00 0.00 N ATOM 586 CD2 HIS A 40 10.408 18.379 -2.061 1.00 0.00 C ATOM 587 CE1 HIS A 40 9.803 17.373 -3.907 1.00 0.00 C ATOM 588 NE2 HIS A 40 9.381 18.154 -2.871 1.00 0.00 N ATOM 0 H HIS A 40 12.159 15.176 -1.322 1.00 0.00 H new ATOM 0 HA HIS A 40 14.037 17.252 -0.312 1.00 0.00 H new ATOM 0 HB2 HIS A 40 13.322 18.681 -1.971 1.00 0.00 H new ATOM 0 HB3 HIS A 40 13.536 17.149 -2.794 1.00 0.00 H new ATOM 0 HD1 HIS A 40 11.679 16.559 -4.348 1.00 0.00 H new ATOM 0 HD2 HIS A 40 10.380 18.964 -1.154 1.00 0.00 H new ATOM 0 HE1 HIS A 40 9.194 17.023 -4.727 1.00 0.00 H new ATOM 596 N VAL A 41 11.223 16.436 0.756 1.00 0.00 N ATOM 597 CA VAL A 41 10.173 16.710 1.723 1.00 0.00 C ATOM 598 C VAL A 41 10.641 16.276 3.114 1.00 0.00 C ATOM 599 O VAL A 41 10.749 15.083 3.392 1.00 0.00 O ATOM 600 CB VAL A 41 8.873 16.030 1.290 1.00 0.00 C ATOM 601 CG1 VAL A 41 7.899 15.912 2.465 1.00 0.00 C ATOM 602 CG2 VAL A 41 8.229 16.773 0.118 1.00 0.00 C ATOM 0 H VAL A 41 11.296 15.459 0.471 1.00 0.00 H new ATOM 0 HA VAL A 41 9.965 17.779 1.769 1.00 0.00 H new ATOM 0 HB VAL A 41 9.118 15.022 0.954 1.00 0.00 H new ATOM 0 HG11 VAL A 41 6.983 15.425 2.131 1.00 0.00 H new ATOM 0 HG12 VAL A 41 8.356 15.320 3.258 1.00 0.00 H new ATOM 0 HG13 VAL A 41 7.664 16.907 2.844 1.00 0.00 H new ATOM 0 HG21 VAL A 41 7.307 16.269 -0.170 1.00 0.00 H new ATOM 0 HG22 VAL A 41 8.005 17.797 0.416 1.00 0.00 H new ATOM 0 HG23 VAL A 41 8.916 16.783 -0.728 1.00 0.00 H new ATOM 612 N VAL A 42 10.905 17.269 3.951 1.00 0.00 N ATOM 613 CA VAL A 42 11.358 17.005 5.305 1.00 0.00 C ATOM 614 C VAL A 42 10.549 17.857 6.285 1.00 0.00 C ATOM 615 O VAL A 42 10.161 17.384 7.351 1.00 0.00 O ATOM 616 CB VAL A 42 12.866 17.245 5.409 1.00 0.00 C ATOM 617 CG1 VAL A 42 13.646 16.166 4.656 1.00 0.00 C ATOM 618 CG2 VAL A 42 13.235 18.641 4.904 1.00 0.00 C ATOM 0 H VAL A 42 10.814 18.258 3.717 1.00 0.00 H new ATOM 0 HA VAL A 42 11.189 15.960 5.566 1.00 0.00 H new ATOM 0 HB VAL A 42 13.143 17.185 6.462 1.00 0.00 H new ATOM 0 HG11 VAL A 42 14.715 16.360 4.746 1.00 0.00 H new ATOM 0 HG12 VAL A 42 13.418 15.189 5.081 1.00 0.00 H new ATOM 0 HG13 VAL A 42 13.362 16.179 3.604 1.00 0.00 H new ATOM 0 HG21 VAL A 42 14.312 18.786 4.989 1.00 0.00 H new ATOM 0 HG22 VAL A 42 12.937 18.741 3.860 1.00 0.00 H new ATOM 0 HG23 VAL A 42 12.720 19.392 5.502 1.00 0.00 H new ATOM 628 N LYS A 43 10.318 19.100 5.887 1.00 0.00 N ATOM 629 CA LYS A 43 9.562 20.023 6.716 1.00 0.00 C ATOM 630 C LYS A 43 8.073 19.683 6.622 1.00 0.00 C ATOM 631 O LYS A 43 7.585 19.305 5.558 1.00 0.00 O ATOM 632 CB LYS A 43 9.887 21.470 6.342 1.00 0.00 C ATOM 633 CG LYS A 43 11.209 21.915 6.972 1.00 0.00 C ATOM 634 CD LYS A 43 11.021 22.269 8.448 1.00 0.00 C ATOM 635 CE LYS A 43 12.343 22.162 9.210 1.00 0.00 C ATOM 636 NZ LYS A 43 12.094 22.013 10.662 1.00 0.00 N ATOM 0 H LYS A 43 10.641 19.489 5.001 1.00 0.00 H new ATOM 0 HA LYS A 43 9.849 19.917 7.762 1.00 0.00 H new ATOM 0 HB2 LYS A 43 9.947 21.565 5.258 1.00 0.00 H new ATOM 0 HB3 LYS A 43 9.082 22.125 6.675 1.00 0.00 H new ATOM 0 HG2 LYS A 43 11.948 21.119 6.876 1.00 0.00 H new ATOM 0 HG3 LYS A 43 11.600 22.779 6.434 1.00 0.00 H new ATOM 0 HD2 LYS A 43 10.628 23.282 8.536 1.00 0.00 H new ATOM 0 HD3 LYS A 43 10.284 21.601 8.895 1.00 0.00 H new ATOM 0 HE2 LYS A 43 12.913 21.308 8.843 1.00 0.00 H new ATOM 0 HE3 LYS A 43 12.947 23.051 9.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 13.002 21.942 11.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 11.569 22.840 11.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 11.536 21.152 10.832 1.00 0.00 H new ATOM 650 N GLY A 44 7.392 19.831 7.749 1.00 0.00 N ATOM 651 CA GLY A 44 5.969 19.545 7.807 1.00 0.00 C ATOM 652 C GLY A 44 5.155 20.681 7.183 1.00 0.00 C ATOM 653 O GLY A 44 3.926 20.640 7.181 1.00 0.00 O ATOM 0 H GLY A 44 7.800 20.145 8.629 1.00 0.00 H new ATOM 0 HA2 GLY A 44 5.760 18.613 7.282 1.00 0.00 H new ATOM 0 HA3 GLY A 44 5.665 19.402 8.844 1.00 0.00 H new ATOM 657 N LYS A 45 5.875 21.667 6.668 1.00 0.00 N ATOM 658 CA LYS A 45 5.235 22.812 6.043 1.00 0.00 C ATOM 659 C LYS A 45 5.133 22.573 4.535 1.00 0.00 C ATOM 660 O LYS A 45 4.426 23.296 3.834 1.00 0.00 O ATOM 661 CB LYS A 45 5.968 24.103 6.412 1.00 0.00 C ATOM 662 CG LYS A 45 7.261 24.249 5.607 1.00 0.00 C ATOM 663 CD LYS A 45 8.272 25.126 6.348 1.00 0.00 C ATOM 664 CE LYS A 45 8.109 26.597 5.962 1.00 0.00 C ATOM 665 NZ LYS A 45 9.430 27.260 5.877 1.00 0.00 N ATOM 0 H LYS A 45 6.895 21.697 6.671 1.00 0.00 H new ATOM 0 HA LYS A 45 4.218 22.932 6.417 1.00 0.00 H new ATOM 0 HB2 LYS A 45 5.320 24.959 6.225 1.00 0.00 H new ATOM 0 HB3 LYS A 45 6.197 24.104 7.478 1.00 0.00 H new ATOM 0 HG2 LYS A 45 7.693 23.265 5.424 1.00 0.00 H new ATOM 0 HG3 LYS A 45 7.040 24.686 4.633 1.00 0.00 H new ATOM 0 HD2 LYS A 45 8.138 25.012 7.424 1.00 0.00 H new ATOM 0 HD3 LYS A 45 9.284 24.796 6.116 1.00 0.00 H new ATOM 0 HE2 LYS A 45 7.595 26.673 5.004 1.00 0.00 H new ATOM 0 HE3 LYS A 45 7.487 27.106 6.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 9.301 28.258 5.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 9.907 27.204 6.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 10.011 26.785 5.158 1.00 0.00 H new ATOM 679 N GLN A 46 5.848 21.555 4.080 1.00 0.00 N ATOM 680 CA GLN A 46 5.846 21.211 2.668 1.00 0.00 C ATOM 681 C GLN A 46 4.801 20.130 2.386 1.00 0.00 C ATOM 682 O GLN A 46 4.921 19.383 1.415 1.00 0.00 O ATOM 683 CB GLN A 46 7.236 20.763 2.211 1.00 0.00 C ATOM 684 CG GLN A 46 8.332 21.517 2.967 1.00 0.00 C ATOM 685 CD GLN A 46 9.678 21.390 2.252 1.00 0.00 C ATOM 686 OE1 GLN A 46 10.221 22.345 1.721 1.00 0.00 O ATOM 687 NE2 GLN A 46 10.186 20.160 2.269 1.00 0.00 N ATOM 0 H GLN A 46 6.433 20.957 4.664 1.00 0.00 H new ATOM 0 HA GLN A 46 5.581 22.101 2.098 1.00 0.00 H new ATOM 0 HB2 GLN A 46 7.348 19.691 2.374 1.00 0.00 H new ATOM 0 HB3 GLN A 46 7.344 20.935 1.140 1.00 0.00 H new ATOM 0 HG2 GLN A 46 8.061 22.569 3.054 1.00 0.00 H new ATOM 0 HG3 GLN A 46 8.416 21.124 3.980 1.00 0.00 H new ATOM 0 HE21 GLN A 46 9.679 19.405 2.732 1.00 0.00 H new ATOM 0 HE22 GLN A 46 11.082 19.972 1.820 1.00 0.00 H new ATOM 696 N VAL A 47 3.800 20.080 3.252 1.00 0.00 N ATOM 697 CA VAL A 47 2.734 19.102 3.108 1.00 0.00 C ATOM 698 C VAL A 47 1.445 19.668 3.705 1.00 0.00 C ATOM 699 O VAL A 47 1.470 20.301 4.760 1.00 0.00 O ATOM 700 CB VAL A 47 3.154 17.774 3.742 1.00 0.00 C ATOM 701 CG1 VAL A 47 3.648 16.791 2.679 1.00 0.00 C ATOM 702 CG2 VAL A 47 4.215 17.993 4.822 1.00 0.00 C ATOM 0 H VAL A 47 3.704 20.700 4.056 1.00 0.00 H new ATOM 0 HA VAL A 47 2.542 18.898 2.055 1.00 0.00 H new ATOM 0 HB VAL A 47 2.276 17.338 4.219 1.00 0.00 H new ATOM 0 HG11 VAL A 47 3.940 15.856 3.156 1.00 0.00 H new ATOM 0 HG12 VAL A 47 2.850 16.599 1.962 1.00 0.00 H new ATOM 0 HG13 VAL A 47 4.507 17.217 2.160 1.00 0.00 H new ATOM 0 HG21 VAL A 47 4.496 17.033 5.256 1.00 0.00 H new ATOM 0 HG22 VAL A 47 5.094 18.462 4.379 1.00 0.00 H new ATOM 0 HG23 VAL A 47 3.813 18.640 5.601 1.00 0.00 H new ATOM 712 N SER A 48 0.348 19.421 3.004 1.00 0.00 N ATOM 713 CA SER A 48 -0.950 19.898 3.452 1.00 0.00 C ATOM 714 C SER A 48 -1.876 18.713 3.729 1.00 0.00 C ATOM 715 O SER A 48 -1.999 17.810 2.904 1.00 0.00 O ATOM 716 CB SER A 48 -1.580 20.833 2.417 1.00 0.00 C ATOM 717 OG SER A 48 -0.595 21.536 1.664 1.00 0.00 O ATOM 0 H SER A 48 0.331 18.897 2.129 1.00 0.00 H new ATOM 0 HA SER A 48 -0.807 20.463 4.373 1.00 0.00 H new ATOM 0 HB2 SER A 48 -2.209 20.254 1.741 1.00 0.00 H new ATOM 0 HB3 SER A 48 -2.229 21.548 2.922 1.00 0.00 H new ATOM 0 HG SER A 48 -1.037 22.121 1.013 1.00 0.00 H new ATOM 723 N VAL A 49 -2.505 18.754 4.895 1.00 0.00 N ATOM 724 CA VAL A 49 -3.416 17.695 5.292 1.00 0.00 C ATOM 725 C VAL A 49 -4.767 18.306 5.671 1.00 0.00 C ATOM 726 O VAL A 49 -4.820 19.338 6.338 1.00 0.00 O ATOM 727 CB VAL A 49 -2.797 16.867 6.420 1.00 0.00 C ATOM 728 CG1 VAL A 49 -3.838 15.944 7.057 1.00 0.00 C ATOM 729 CG2 VAL A 49 -1.592 16.070 5.916 1.00 0.00 C ATOM 0 H VAL A 49 -2.401 19.505 5.577 1.00 0.00 H new ATOM 0 HA VAL A 49 -3.590 17.010 4.462 1.00 0.00 H new ATOM 0 HB VAL A 49 -2.446 17.556 7.188 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -3.372 15.367 7.856 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -4.651 16.542 7.468 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -4.233 15.265 6.301 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -1.170 15.490 6.737 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -1.909 15.396 5.120 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -0.837 16.756 5.531 1.00 0.00 H new ATOM 739 N ALA A 50 -5.825 17.642 5.230 1.00 0.00 N ATOM 740 CA ALA A 50 -7.172 18.107 5.515 1.00 0.00 C ATOM 741 C ALA A 50 -7.986 16.959 6.117 1.00 0.00 C ATOM 742 O ALA A 50 -8.241 15.958 5.451 1.00 0.00 O ATOM 743 CB ALA A 50 -7.803 18.659 4.235 1.00 0.00 C ATOM 0 H ALA A 50 -5.777 16.786 4.678 1.00 0.00 H new ATOM 0 HA ALA A 50 -7.152 18.916 6.245 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -8.813 19.008 4.449 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -7.203 19.490 3.863 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -7.842 17.873 3.481 1.00 0.00 H new ATOM 749 N LEU A 51 -8.371 17.144 7.372 1.00 0.00 N ATOM 750 CA LEU A 51 -9.150 16.137 8.072 1.00 0.00 C ATOM 751 C LEU A 51 -10.518 16.719 8.434 1.00 0.00 C ATOM 752 O LEU A 51 -10.602 17.735 9.121 1.00 0.00 O ATOM 753 CB LEU A 51 -8.373 15.598 9.274 1.00 0.00 C ATOM 754 CG LEU A 51 -7.149 14.739 8.951 1.00 0.00 C ATOM 755 CD1 LEU A 51 -6.311 14.484 10.206 1.00 0.00 C ATOM 756 CD2 LEU A 51 -7.559 13.437 8.261 1.00 0.00 C ATOM 0 H LEU A 51 -8.158 17.976 7.922 1.00 0.00 H new ATOM 0 HA LEU A 51 -9.329 15.277 7.427 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -8.049 16.444 9.881 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -9.054 15.008 9.887 1.00 0.00 H new ATOM 0 HG LEU A 51 -6.521 15.290 8.251 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -5.447 13.871 9.948 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -5.972 15.435 10.616 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -6.916 13.964 10.948 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -6.670 12.845 8.043 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -8.220 12.870 8.917 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -8.080 13.666 7.331 1.00 0.00 H new ATOM 768 N SER A 52 -11.556 16.048 7.955 1.00 0.00 N ATOM 769 CA SER A 52 -12.916 16.486 8.220 1.00 0.00 C ATOM 770 C SER A 52 -13.725 15.339 8.831 1.00 0.00 C ATOM 771 O SER A 52 -14.184 15.435 9.968 1.00 0.00 O ATOM 772 CB SER A 52 -13.591 16.990 6.943 1.00 0.00 C ATOM 773 OG SER A 52 -13.156 18.301 6.592 1.00 0.00 O ATOM 0 H SER A 52 -11.482 15.205 7.385 1.00 0.00 H new ATOM 0 HA SER A 52 -12.877 17.313 8.929 1.00 0.00 H new ATOM 0 HB2 SER A 52 -13.375 16.305 6.124 1.00 0.00 H new ATOM 0 HB3 SER A 52 -14.672 16.991 7.080 1.00 0.00 H new ATOM 0 HG SER A 52 -13.608 18.587 5.771 1.00 0.00 H new ATOM 779 N SER A 53 -13.875 14.281 8.048 1.00 0.00 N ATOM 780 CA SER A 53 -14.620 13.117 8.497 1.00 0.00 C ATOM 781 C SER A 53 -14.791 12.128 7.343 1.00 0.00 C ATOM 782 O SER A 53 -14.479 10.946 7.481 1.00 0.00 O ATOM 783 CB SER A 53 -15.985 13.521 9.058 1.00 0.00 C ATOM 784 OG SER A 53 -16.824 12.391 9.284 1.00 0.00 O ATOM 0 H SER A 53 -13.493 14.205 7.105 1.00 0.00 H new ATOM 0 HA SER A 53 -14.056 12.637 9.297 1.00 0.00 H new ATOM 0 HB2 SER A 53 -15.847 14.063 9.994 1.00 0.00 H new ATOM 0 HB3 SER A 53 -16.475 14.204 8.364 1.00 0.00 H new ATOM 0 HG SER A 53 -16.920 12.242 10.248 1.00 0.00 H new ATOM 790 N SER A 54 -15.288 12.647 6.229 1.00 0.00 N ATOM 791 CA SER A 54 -15.504 11.824 5.051 1.00 0.00 C ATOM 792 C SER A 54 -14.677 12.358 3.880 1.00 0.00 C ATOM 793 O SER A 54 -15.049 12.181 2.721 1.00 0.00 O ATOM 794 CB SER A 54 -16.987 11.778 4.677 1.00 0.00 C ATOM 795 OG SER A 54 -17.469 10.442 4.568 1.00 0.00 O ATOM 0 H SER A 54 -15.547 13.627 6.118 1.00 0.00 H new ATOM 0 HA SER A 54 -15.183 10.808 5.280 1.00 0.00 H new ATOM 0 HB2 SER A 54 -17.567 12.312 5.429 1.00 0.00 H new ATOM 0 HB3 SER A 54 -17.138 12.296 3.730 1.00 0.00 H new ATOM 0 HG SER A 54 -18.419 10.456 4.330 1.00 0.00 H new ATOM 801 N SER A 55 -13.572 13.002 4.224 1.00 0.00 N ATOM 802 CA SER A 55 -12.689 13.564 3.215 1.00 0.00 C ATOM 803 C SER A 55 -11.259 13.638 3.754 1.00 0.00 C ATOM 804 O SER A 55 -11.051 13.733 4.962 1.00 0.00 O ATOM 805 CB SER A 55 -13.164 14.951 2.778 1.00 0.00 C ATOM 806 OG SER A 55 -14.067 15.527 3.717 1.00 0.00 O ATOM 0 H SER A 55 -13.267 13.147 5.187 1.00 0.00 H new ATOM 0 HA SER A 55 -12.708 12.912 2.342 1.00 0.00 H new ATOM 0 HB2 SER A 55 -12.302 15.607 2.655 1.00 0.00 H new ATOM 0 HB3 SER A 55 -13.651 14.878 1.805 1.00 0.00 H new ATOM 0 HG SER A 55 -14.345 16.412 3.402 1.00 0.00 H new ATOM 812 N ILE A 56 -10.309 13.591 2.831 1.00 0.00 N ATOM 813 CA ILE A 56 -8.905 13.652 3.198 1.00 0.00 C ATOM 814 C ILE A 56 -8.121 14.351 2.086 1.00 0.00 C ATOM 815 O ILE A 56 -8.513 14.303 0.921 1.00 0.00 O ATOM 816 CB ILE A 56 -8.379 12.256 3.537 1.00 0.00 C ATOM 817 CG1 ILE A 56 -6.986 12.332 4.165 1.00 0.00 C ATOM 818 CG2 ILE A 56 -8.404 11.347 2.307 1.00 0.00 C ATOM 819 CD1 ILE A 56 -5.919 12.597 3.101 1.00 0.00 C ATOM 0 H ILE A 56 -10.485 13.511 1.829 1.00 0.00 H new ATOM 0 HA ILE A 56 -8.773 14.246 4.103 1.00 0.00 H new ATOM 0 HB ILE A 56 -9.043 11.812 4.279 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -6.963 13.124 4.913 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -6.765 11.398 4.682 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -8.025 10.361 2.576 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -9.427 11.256 1.943 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -7.777 11.776 1.525 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -4.938 12.646 3.574 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -5.928 11.791 2.368 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -6.130 13.543 2.602 1.00 0.00 H new ATOM 831 N ARG A 57 -7.028 14.985 2.484 1.00 0.00 N ATOM 832 CA ARG A 57 -6.186 15.693 1.535 1.00 0.00 C ATOM 833 C ARG A 57 -4.709 15.457 1.858 1.00 0.00 C ATOM 834 O ARG A 57 -4.302 15.538 3.016 1.00 0.00 O ATOM 835 CB ARG A 57 -6.472 17.196 1.559 1.00 0.00 C ATOM 836 CG ARG A 57 -5.834 17.895 0.357 1.00 0.00 C ATOM 837 CD ARG A 57 -6.701 19.061 -0.122 1.00 0.00 C ATOM 838 NE ARG A 57 -5.859 20.072 -0.801 1.00 0.00 N ATOM 839 CZ ARG A 57 -6.321 20.958 -1.693 1.00 0.00 C ATOM 840 NH1 ARG A 57 -7.620 20.964 -2.020 1.00 0.00 N ATOM 841 NH2 ARG A 57 -5.484 21.838 -2.258 1.00 0.00 N ATOM 0 H ARG A 57 -6.706 15.023 3.451 1.00 0.00 H new ATOM 0 HA ARG A 57 -6.411 15.308 0.540 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -7.549 17.365 1.553 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -6.087 17.628 2.482 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -4.844 18.261 0.628 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -5.699 17.180 -0.455 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -7.469 18.697 -0.805 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -7.216 19.514 0.725 1.00 0.00 H new ATOM 0 HE ARG A 57 -4.865 20.095 -0.575 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -8.257 20.294 -1.590 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -7.972 21.639 -2.699 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -4.495 21.833 -2.009 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -5.836 22.513 -2.937 1.00 0.00 H new ATOM 855 N VAL A 58 -3.946 15.170 0.812 1.00 0.00 N ATOM 856 CA VAL A 58 -2.523 14.922 0.970 1.00 0.00 C ATOM 857 C VAL A 58 -1.764 15.588 -0.179 1.00 0.00 C ATOM 858 O VAL A 58 -1.753 15.078 -1.299 1.00 0.00 O ATOM 859 CB VAL A 58 -2.262 13.418 1.067 1.00 0.00 C ATOM 860 CG1 VAL A 58 -0.808 13.138 1.450 1.00 0.00 C ATOM 861 CG2 VAL A 58 -3.226 12.756 2.054 1.00 0.00 C ATOM 0 H VAL A 58 -4.287 15.104 -0.147 1.00 0.00 H new ATOM 0 HA VAL A 58 -2.159 15.362 1.898 1.00 0.00 H new ATOM 0 HB VAL A 58 -2.439 12.983 0.083 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -0.649 12.061 1.512 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -0.145 13.560 0.694 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -0.592 13.593 2.417 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -3.019 11.687 2.104 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -3.095 13.197 3.042 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -4.252 12.911 1.720 1.00 0.00 H new ATOM 871 N ALA A 59 -1.147 16.717 0.137 1.00 0.00 N ATOM 872 CA ALA A 59 -0.387 17.458 -0.855 1.00 0.00 C ATOM 873 C ALA A 59 1.021 17.723 -0.319 1.00 0.00 C ATOM 874 O ALA A 59 1.266 17.601 0.880 1.00 0.00 O ATOM 875 CB ALA A 59 -1.129 18.749 -1.208 1.00 0.00 C ATOM 0 H ALA A 59 -1.158 17.137 1.067 1.00 0.00 H new ATOM 0 HA ALA A 59 -0.287 16.878 -1.773 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -0.559 19.305 -1.952 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -2.112 18.505 -1.612 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -1.246 19.358 -0.312 1.00 0.00 H new ATOM 881 N MET A 60 1.911 18.080 -1.234 1.00 0.00 N ATOM 882 CA MET A 60 3.288 18.363 -0.868 1.00 0.00 C ATOM 883 C MET A 60 3.843 19.532 -1.685 1.00 0.00 C ATOM 884 O MET A 60 3.627 19.608 -2.893 1.00 0.00 O ATOM 885 CB MET A 60 4.146 17.119 -1.109 1.00 0.00 C ATOM 886 CG MET A 60 3.890 16.538 -2.501 1.00 0.00 C ATOM 887 SD MET A 60 5.415 15.922 -3.195 1.00 0.00 S ATOM 888 CE MET A 60 6.418 17.396 -3.096 1.00 0.00 C ATOM 0 H MET A 60 1.705 18.180 -2.228 1.00 0.00 H new ATOM 0 HA MET A 60 3.316 18.636 0.187 1.00 0.00 H new ATOM 0 HB2 MET A 60 5.201 17.375 -1.006 1.00 0.00 H new ATOM 0 HB3 MET A 60 3.925 16.368 -0.351 1.00 0.00 H new ATOM 0 HG2 MET A 60 3.158 15.733 -2.439 1.00 0.00 H new ATOM 0 HG3 MET A 60 3.468 17.304 -3.152 1.00 0.00 H new ATOM 0 HE1 MET A 60 7.076 17.447 -3.963 1.00 0.00 H new ATOM 0 HE2 MET A 60 5.773 18.274 -3.077 1.00 0.00 H new ATOM 0 HE3 MET A 60 7.018 17.367 -2.187 1.00 0.00 H new ATOM 898 N LEU A 61 4.547 20.415 -0.991 1.00 0.00 N ATOM 899 CA LEU A 61 5.135 21.576 -1.637 1.00 0.00 C ATOM 900 C LEU A 61 6.325 21.133 -2.489 1.00 0.00 C ATOM 901 O LEU A 61 7.196 20.405 -2.015 1.00 0.00 O ATOM 902 CB LEU A 61 5.485 22.646 -0.600 1.00 0.00 C ATOM 903 CG LEU A 61 4.307 23.240 0.175 1.00 0.00 C ATOM 904 CD1 LEU A 61 4.705 24.550 0.858 1.00 0.00 C ATOM 905 CD2 LEU A 61 3.086 23.414 -0.732 1.00 0.00 C ATOM 0 H LEU A 61 4.723 20.350 0.012 1.00 0.00 H new ATOM 0 HA LEU A 61 4.416 22.041 -2.311 1.00 0.00 H new ATOM 0 HB2 LEU A 61 6.185 22.215 0.116 1.00 0.00 H new ATOM 0 HB3 LEU A 61 6.007 23.458 -1.107 1.00 0.00 H new ATOM 0 HG LEU A 61 4.027 22.539 0.961 1.00 0.00 H new ATOM 0 HD11 LEU A 61 3.850 24.951 1.402 1.00 0.00 H new ATOM 0 HD12 LEU A 61 5.523 24.364 1.554 1.00 0.00 H new ATOM 0 HD13 LEU A 61 5.026 25.270 0.105 1.00 0.00 H new ATOM 0 HD21 LEU A 61 2.263 23.838 -0.157 1.00 0.00 H new ATOM 0 HD22 LEU A 61 3.336 24.084 -1.555 1.00 0.00 H new ATOM 0 HD23 LEU A 61 2.788 22.444 -1.131 1.00 0.00 H new ATOM 917 N GLU A 62 6.325 21.590 -3.733 1.00 0.00 N ATOM 918 CA GLU A 62 7.395 21.250 -4.655 1.00 0.00 C ATOM 919 C GLU A 62 8.458 22.350 -4.664 1.00 0.00 C ATOM 920 O GLU A 62 9.575 22.142 -4.194 1.00 0.00 O ATOM 921 CB GLU A 62 6.847 21.005 -6.063 1.00 0.00 C ATOM 922 CG GLU A 62 6.272 19.593 -6.190 1.00 0.00 C ATOM 923 CD GLU A 62 7.307 18.630 -6.774 1.00 0.00 C ATOM 924 OE1 GLU A 62 8.510 18.882 -6.545 1.00 0.00 O ATOM 925 OE2 GLU A 62 6.873 17.663 -7.436 1.00 0.00 O ATOM 0 H GLU A 62 5.601 22.193 -4.124 1.00 0.00 H new ATOM 0 HA GLU A 62 7.861 20.325 -4.315 1.00 0.00 H new ATOM 0 HB2 GLU A 62 6.073 21.738 -6.288 1.00 0.00 H new ATOM 0 HB3 GLU A 62 7.642 21.145 -6.796 1.00 0.00 H new ATOM 0 HG2 GLU A 62 5.951 19.238 -5.211 1.00 0.00 H new ATOM 0 HG3 GLU A 62 5.388 19.612 -6.827 1.00 0.00 H new ATOM 932 N GLU A 63 8.073 23.497 -5.205 1.00 0.00 N ATOM 933 CA GLU A 63 8.980 24.630 -5.281 1.00 0.00 C ATOM 934 C GLU A 63 8.207 25.907 -5.615 1.00 0.00 C ATOM 935 O GLU A 63 8.120 26.817 -4.793 1.00 0.00 O ATOM 936 CB GLU A 63 10.089 24.377 -6.304 1.00 0.00 C ATOM 937 CG GLU A 63 11.417 24.971 -5.832 1.00 0.00 C ATOM 938 CD GLU A 63 12.147 25.667 -6.982 1.00 0.00 C ATOM 939 OE1 GLU A 63 12.430 24.969 -7.980 1.00 0.00 O ATOM 940 OE2 GLU A 63 12.404 26.882 -6.839 1.00 0.00 O ATOM 0 H GLU A 63 7.146 23.666 -5.595 1.00 0.00 H new ATOM 0 HA GLU A 63 9.452 24.759 -4.307 1.00 0.00 H new ATOM 0 HB2 GLU A 63 10.203 23.305 -6.464 1.00 0.00 H new ATOM 0 HB3 GLU A 63 9.811 24.815 -7.263 1.00 0.00 H new ATOM 0 HG2 GLU A 63 11.235 25.684 -5.028 1.00 0.00 H new ATOM 0 HG3 GLU A 63 12.047 24.182 -5.422 1.00 0.00 H new ATOM 947 N ASN A 64 7.665 25.933 -6.824 1.00 0.00 N ATOM 948 CA ASN A 64 6.901 27.084 -7.277 1.00 0.00 C ATOM 949 C ASN A 64 5.433 26.902 -6.887 1.00 0.00 C ATOM 950 O ASN A 64 4.643 27.841 -6.973 1.00 0.00 O ATOM 951 CB ASN A 64 6.973 27.228 -8.798 1.00 0.00 C ATOM 952 CG ASN A 64 8.087 28.193 -9.206 1.00 0.00 C ATOM 953 OD1 ASN A 64 9.258 27.851 -9.243 1.00 0.00 O ATOM 954 ND2 ASN A 64 7.660 29.415 -9.509 1.00 0.00 N ATOM 0 H ASN A 64 7.740 25.176 -7.504 1.00 0.00 H new ATOM 0 HA ASN A 64 7.323 27.974 -6.810 1.00 0.00 H new ATOM 0 HB2 ASN A 64 7.148 26.252 -9.251 1.00 0.00 H new ATOM 0 HB3 ASN A 64 6.017 27.589 -9.178 1.00 0.00 H new ATOM 0 HD21 ASN A 64 8.327 30.132 -9.793 1.00 0.00 H new ATOM 0 HD22 ASN A 64 6.665 29.635 -9.457 1.00 0.00 H new ATOM 961 N GLY A 65 5.111 25.687 -6.468 1.00 0.00 N ATOM 962 CA GLY A 65 3.752 25.369 -6.065 1.00 0.00 C ATOM 963 C GLY A 65 3.718 24.118 -5.185 1.00 0.00 C ATOM 964 O GLY A 65 4.519 23.984 -4.260 1.00 0.00 O ATOM 0 H GLY A 65 5.769 24.910 -6.399 1.00 0.00 H new ATOM 0 HA2 GLY A 65 3.324 26.211 -5.522 1.00 0.00 H new ATOM 0 HA3 GLY A 65 3.134 25.213 -6.949 1.00 0.00 H new ATOM 968 N GLU A 66 2.784 23.234 -5.503 1.00 0.00 N ATOM 969 CA GLU A 66 2.636 21.999 -4.753 1.00 0.00 C ATOM 970 C GLU A 66 1.918 20.946 -5.600 1.00 0.00 C ATOM 971 O GLU A 66 1.532 21.216 -6.736 1.00 0.00 O ATOM 972 CB GLU A 66 1.895 22.243 -3.437 1.00 0.00 C ATOM 973 CG GLU A 66 0.381 22.252 -3.654 1.00 0.00 C ATOM 974 CD GLU A 66 -0.032 23.388 -4.592 1.00 0.00 C ATOM 975 OE1 GLU A 66 -0.300 24.490 -4.065 1.00 0.00 O ATOM 976 OE2 GLU A 66 -0.070 23.130 -5.814 1.00 0.00 O ATOM 0 H GLU A 66 2.122 23.349 -6.270 1.00 0.00 H new ATOM 0 HA GLU A 66 3.630 21.624 -4.508 1.00 0.00 H new ATOM 0 HB2 GLU A 66 2.158 21.467 -2.718 1.00 0.00 H new ATOM 0 HB3 GLU A 66 2.210 23.195 -3.009 1.00 0.00 H new ATOM 0 HG2 GLU A 66 0.064 21.297 -4.073 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -0.127 22.364 -2.696 1.00 0.00 H new ATOM 983 N ARG A 67 1.761 19.769 -5.014 1.00 0.00 N ATOM 984 CA ARG A 67 1.096 18.674 -5.700 1.00 0.00 C ATOM 985 C ARG A 67 0.243 17.870 -4.716 1.00 0.00 C ATOM 986 O ARG A 67 0.647 17.650 -3.576 1.00 0.00 O ATOM 987 CB ARG A 67 2.111 17.742 -6.364 1.00 0.00 C ATOM 988 CG ARG A 67 1.409 16.587 -7.080 1.00 0.00 C ATOM 989 CD ARG A 67 2.239 16.092 -8.267 1.00 0.00 C ATOM 990 NE ARG A 67 1.350 15.761 -9.403 1.00 0.00 N ATOM 991 CZ ARG A 67 0.619 16.662 -10.072 1.00 0.00 C ATOM 992 NH1 ARG A 67 0.665 17.955 -9.723 1.00 0.00 N ATOM 993 NH2 ARG A 67 -0.160 16.271 -11.090 1.00 0.00 N ATOM 0 H ARG A 67 2.083 19.549 -4.071 1.00 0.00 H new ATOM 0 HA ARG A 67 0.458 19.106 -6.471 1.00 0.00 H new ATOM 0 HB2 ARG A 67 2.714 18.304 -7.077 1.00 0.00 H new ATOM 0 HB3 ARG A 67 2.794 17.347 -5.612 1.00 0.00 H new ATOM 0 HG2 ARG A 67 1.244 15.768 -6.380 1.00 0.00 H new ATOM 0 HG3 ARG A 67 0.428 16.912 -7.428 1.00 0.00 H new ATOM 0 HD2 ARG A 67 2.955 16.858 -8.566 1.00 0.00 H new ATOM 0 HD3 ARG A 67 2.815 15.213 -7.977 1.00 0.00 H new ATOM 0 HE ARG A 67 1.290 14.785 -9.695 1.00 0.00 H new ATOM 0 HH11 ARG A 67 1.257 18.253 -8.948 1.00 0.00 H new ATOM 0 HH12 ARG A 67 0.108 18.641 -10.233 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -0.196 15.287 -11.356 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -0.717 16.958 -11.599 1.00 0.00 H new ATOM 1007 N VAL A 68 -0.921 17.455 -5.194 1.00 0.00 N ATOM 1008 CA VAL A 68 -1.834 16.680 -4.371 1.00 0.00 C ATOM 1009 C VAL A 68 -1.553 15.189 -4.569 1.00 0.00 C ATOM 1010 O VAL A 68 -2.000 14.595 -5.549 1.00 0.00 O ATOM 1011 CB VAL A 68 -3.280 17.064 -4.690 1.00 0.00 C ATOM 1012 CG1 VAL A 68 -4.264 16.225 -3.872 1.00 0.00 C ATOM 1013 CG2 VAL A 68 -3.514 18.559 -4.464 1.00 0.00 C ATOM 0 H VAL A 68 -1.253 17.641 -6.140 1.00 0.00 H new ATOM 0 HA VAL A 68 -1.678 16.902 -3.315 1.00 0.00 H new ATOM 0 HB VAL A 68 -3.457 16.853 -5.745 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -5.285 16.518 -4.118 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -4.124 15.170 -4.105 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -4.086 16.389 -2.809 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -4.550 18.805 -4.698 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -3.309 18.806 -3.422 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -2.850 19.133 -5.110 1.00 0.00 H new ATOM 1023 N LEU A 69 -0.814 14.628 -3.624 1.00 0.00 N ATOM 1024 CA LEU A 69 -0.468 13.218 -3.683 1.00 0.00 C ATOM 1025 C LEU A 69 -1.748 12.381 -3.632 1.00 0.00 C ATOM 1026 O LEU A 69 -1.971 11.529 -4.492 1.00 0.00 O ATOM 1027 CB LEU A 69 0.540 12.867 -2.586 1.00 0.00 C ATOM 1028 CG LEU A 69 1.750 13.796 -2.466 1.00 0.00 C ATOM 1029 CD1 LEU A 69 2.618 13.412 -1.266 1.00 0.00 C ATOM 1030 CD2 LEU A 69 2.553 13.823 -3.768 1.00 0.00 C ATOM 0 H LEU A 69 -0.445 15.124 -2.813 1.00 0.00 H new ATOM 0 HA LEU A 69 0.028 12.987 -4.626 1.00 0.00 H new ATOM 0 HB2 LEU A 69 0.018 12.858 -1.629 1.00 0.00 H new ATOM 0 HB3 LEU A 69 0.901 11.854 -2.762 1.00 0.00 H new ATOM 0 HG LEU A 69 1.387 14.809 -2.291 1.00 0.00 H new ATOM 0 HD11 LEU A 69 3.471 14.087 -1.203 1.00 0.00 H new ATOM 0 HD12 LEU A 69 2.029 13.486 -0.352 1.00 0.00 H new ATOM 0 HD13 LEU A 69 2.974 12.389 -1.387 1.00 0.00 H new ATOM 0 HD21 LEU A 69 3.407 14.491 -3.655 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.906 12.818 -3.999 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.919 14.180 -4.579 1.00 0.00 H new ATOM 1042 N MET A 70 -2.555 12.652 -2.617 1.00 0.00 N ATOM 1043 CA MET A 70 -3.806 11.935 -2.444 1.00 0.00 C ATOM 1044 C MET A 70 -4.910 12.871 -1.947 1.00 0.00 C ATOM 1045 O MET A 70 -4.662 13.742 -1.115 1.00 0.00 O ATOM 1046 CB MET A 70 -3.608 10.799 -1.438 1.00 0.00 C ATOM 1047 CG MET A 70 -4.951 10.193 -1.024 1.00 0.00 C ATOM 1048 SD MET A 70 -4.696 8.928 0.209 1.00 0.00 S ATOM 1049 CE MET A 70 -6.379 8.387 0.451 1.00 0.00 C ATOM 0 H MET A 70 -2.366 13.359 -1.906 1.00 0.00 H new ATOM 0 HA MET A 70 -4.107 11.529 -3.410 1.00 0.00 H new ATOM 0 HB2 MET A 70 -2.976 10.027 -1.876 1.00 0.00 H new ATOM 0 HB3 MET A 70 -3.088 11.175 -0.557 1.00 0.00 H new ATOM 0 HG2 MET A 70 -5.604 10.971 -0.629 1.00 0.00 H new ATOM 0 HG3 MET A 70 -5.451 9.768 -1.894 1.00 0.00 H new ATOM 0 HE1 MET A 70 -6.618 8.407 1.514 1.00 0.00 H new ATOM 0 HE2 MET A 70 -7.056 9.052 -0.086 1.00 0.00 H new ATOM 0 HE3 MET A 70 -6.493 7.371 0.073 1.00 0.00 H new ATOM 1059 N GLU A 71 -6.105 12.658 -2.478 1.00 0.00 N ATOM 1060 CA GLU A 71 -7.248 13.471 -2.099 1.00 0.00 C ATOM 1061 C GLU A 71 -8.536 12.878 -2.673 1.00 0.00 C ATOM 1062 O GLU A 71 -8.515 12.243 -3.727 1.00 0.00 O ATOM 1063 CB GLU A 71 -7.063 14.921 -2.551 1.00 0.00 C ATOM 1064 CG GLU A 71 -8.123 15.830 -1.926 1.00 0.00 C ATOM 1065 CD GLU A 71 -9.458 15.705 -2.664 1.00 0.00 C ATOM 1066 OE1 GLU A 71 -9.409 15.563 -3.905 1.00 0.00 O ATOM 1067 OE2 GLU A 71 -10.496 15.752 -1.970 1.00 0.00 O ATOM 0 H GLU A 71 -6.306 11.934 -3.168 1.00 0.00 H new ATOM 0 HA GLU A 71 -7.325 13.470 -1.012 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -6.069 15.269 -2.270 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -7.125 14.978 -3.638 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -8.258 15.569 -0.876 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -7.783 16.865 -1.956 1.00 0.00 H new ATOM 1074 N GLY A 72 -9.626 13.104 -1.954 1.00 0.00 N ATOM 1075 CA GLY A 72 -10.920 12.600 -2.379 1.00 0.00 C ATOM 1076 C GLY A 72 -11.830 12.342 -1.176 1.00 0.00 C ATOM 1077 O GLY A 72 -11.349 12.124 -0.065 1.00 0.00 O ATOM 0 H GLY A 72 -9.639 13.630 -1.080 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -11.392 13.319 -3.049 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -10.787 11.677 -2.944 1.00 0.00 H new ATOM 1081 N LYS A 73 -13.128 12.375 -1.438 1.00 0.00 N ATOM 1082 CA LYS A 73 -14.110 12.148 -0.391 1.00 0.00 C ATOM 1083 C LYS A 73 -14.059 10.681 0.039 1.00 0.00 C ATOM 1084 O LYS A 73 -14.228 9.783 -0.784 1.00 0.00 O ATOM 1085 CB LYS A 73 -15.496 12.609 -0.847 1.00 0.00 C ATOM 1086 CG LYS A 73 -15.571 14.135 -0.918 1.00 0.00 C ATOM 1087 CD LYS A 73 -16.408 14.697 0.233 1.00 0.00 C ATOM 1088 CE LYS A 73 -16.734 16.174 0.003 1.00 0.00 C ATOM 1089 NZ LYS A 73 -18.198 16.391 0.023 1.00 0.00 N ATOM 0 H LYS A 73 -13.523 12.556 -2.361 1.00 0.00 H new ATOM 0 HA LYS A 73 -13.875 12.747 0.489 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -15.720 12.185 -1.826 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -16.252 12.236 -0.157 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -14.566 14.554 -0.880 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -16.006 14.437 -1.870 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -17.332 14.127 0.327 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -15.866 14.582 1.172 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -16.260 16.781 0.774 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -16.325 16.498 -0.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -18.402 17.399 -0.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -18.643 15.826 -0.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -18.579 16.101 0.946 1.00 0.00 H new ATOM 1103 N LEU A 74 -13.827 10.483 1.328 1.00 0.00 N ATOM 1104 CA LEU A 74 -13.753 9.140 1.878 1.00 0.00 C ATOM 1105 C LEU A 74 -15.094 8.433 1.669 1.00 0.00 C ATOM 1106 O LEU A 74 -16.090 9.071 1.332 1.00 0.00 O ATOM 1107 CB LEU A 74 -13.302 9.183 3.339 1.00 0.00 C ATOM 1108 CG LEU A 74 -11.889 9.715 3.590 1.00 0.00 C ATOM 1109 CD1 LEU A 74 -11.762 10.288 5.002 1.00 0.00 C ATOM 1110 CD2 LEU A 74 -10.840 8.638 3.311 1.00 0.00 C ATOM 0 H LEU A 74 -13.688 11.230 2.008 1.00 0.00 H new ATOM 0 HA LEU A 74 -12.998 8.555 1.353 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -14.006 9.800 3.898 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -13.367 8.175 3.748 1.00 0.00 H new ATOM 0 HG LEU A 74 -11.703 10.533 2.893 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -10.748 10.659 5.154 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -12.471 11.106 5.128 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -11.976 9.507 5.732 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -9.845 9.042 3.497 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -11.013 7.784 3.965 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -10.913 8.319 2.271 1.00 0.00 H new ATOM 1122 N THR A 75 -15.076 7.125 1.878 1.00 0.00 N ATOM 1123 CA THR A 75 -16.278 6.325 1.717 1.00 0.00 C ATOM 1124 C THR A 75 -17.193 6.486 2.933 1.00 0.00 C ATOM 1125 O THR A 75 -18.408 6.613 2.787 1.00 0.00 O ATOM 1126 CB THR A 75 -15.852 4.877 1.465 1.00 0.00 C ATOM 1127 OG1 THR A 75 -15.167 4.504 2.658 1.00 0.00 O ATOM 1128 CG2 THR A 75 -14.787 4.762 0.373 1.00 0.00 C ATOM 0 H THR A 75 -14.248 6.599 2.157 1.00 0.00 H new ATOM 0 HA THR A 75 -16.864 6.660 0.862 1.00 0.00 H new ATOM 0 HB THR A 75 -16.724 4.286 1.186 1.00 0.00 H new ATOM 0 HG1 THR A 75 -14.360 3.999 2.427 1.00 0.00 H new ATOM 0 HG21 THR A 75 -14.520 3.714 0.234 1.00 0.00 H new ATOM 0 HG22 THR A 75 -15.179 5.164 -0.561 1.00 0.00 H new ATOM 0 HG23 THR A 75 -13.902 5.326 0.667 1.00 0.00 H new ATOM 1136 N HIS A 76 -16.574 6.476 4.104 1.00 0.00 N ATOM 1137 CA HIS A 76 -17.318 6.619 5.344 1.00 0.00 C ATOM 1138 C HIS A 76 -16.668 7.701 6.210 1.00 0.00 C ATOM 1139 O HIS A 76 -15.568 8.162 5.911 1.00 0.00 O ATOM 1140 CB HIS A 76 -17.437 5.275 6.065 1.00 0.00 C ATOM 1141 CG HIS A 76 -18.417 4.320 5.426 1.00 0.00 C ATOM 1142 ND1 HIS A 76 -18.019 3.188 4.736 1.00 0.00 N ATOM 1143 CD2 HIS A 76 -19.780 4.340 5.380 1.00 0.00 C ATOM 1144 CE1 HIS A 76 -19.102 2.563 4.298 1.00 0.00 C ATOM 1145 NE2 HIS A 76 -20.192 3.279 4.698 1.00 0.00 N ATOM 0 H HIS A 76 -15.566 6.371 4.221 1.00 0.00 H new ATOM 0 HA HIS A 76 -18.337 6.939 5.126 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -16.455 4.804 6.098 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -17.739 5.453 7.097 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -20.416 5.092 5.823 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -19.119 1.648 3.725 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -21.164 3.038 4.505 1.00 0.00 H new ATOM 1153 N LYS A 77 -17.377 8.074 7.266 1.00 0.00 N ATOM 1154 CA LYS A 77 -16.883 9.092 8.177 1.00 0.00 C ATOM 1155 C LYS A 77 -15.828 8.477 9.099 1.00 0.00 C ATOM 1156 O LYS A 77 -15.696 7.256 9.169 1.00 0.00 O ATOM 1157 CB LYS A 77 -18.044 9.751 8.924 1.00 0.00 C ATOM 1158 CG LYS A 77 -18.865 10.640 7.987 1.00 0.00 C ATOM 1159 CD LYS A 77 -19.789 11.566 8.780 1.00 0.00 C ATOM 1160 CE LYS A 77 -20.502 12.553 7.855 1.00 0.00 C ATOM 1161 NZ LYS A 77 -21.814 12.013 7.432 1.00 0.00 N ATOM 0 H LYS A 77 -18.289 7.689 7.511 1.00 0.00 H new ATOM 0 HA LYS A 77 -16.394 9.894 7.624 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -18.685 8.983 9.357 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -17.658 10.347 9.751 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -18.196 11.234 7.365 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -19.457 10.018 7.315 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -20.526 10.973 9.322 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -19.210 12.113 9.524 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -20.642 13.505 8.368 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -19.884 12.751 6.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -22.284 12.696 6.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -21.673 11.116 6.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -22.407 11.847 8.270 1.00 0.00 H new ATOM 1175 N ILE A 78 -15.105 9.351 9.784 1.00 0.00 N ATOM 1176 CA ILE A 78 -14.066 8.909 10.698 1.00 0.00 C ATOM 1177 C ILE A 78 -14.056 9.818 11.929 1.00 0.00 C ATOM 1178 O ILE A 78 -14.903 10.701 12.060 1.00 0.00 O ATOM 1179 CB ILE A 78 -12.718 8.831 9.980 1.00 0.00 C ATOM 1180 CG1 ILE A 78 -12.359 10.174 9.340 1.00 0.00 C ATOM 1181 CG2 ILE A 78 -12.704 7.689 8.962 1.00 0.00 C ATOM 1182 CD1 ILE A 78 -11.262 10.884 10.136 1.00 0.00 C ATOM 0 H ILE A 78 -15.218 10.363 9.724 1.00 0.00 H new ATOM 0 HA ILE A 78 -14.272 7.898 11.049 1.00 0.00 H new ATOM 0 HB ILE A 78 -11.949 8.611 10.721 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -12.024 10.015 8.315 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -13.245 10.806 9.291 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -11.734 7.656 8.466 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -12.882 6.743 9.474 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -13.486 7.853 8.220 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -11.025 11.836 9.660 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -11.609 11.063 11.154 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -10.369 10.259 10.162 1.00 0.00 H new ATOM 1194 N ASN A 79 -13.089 9.571 12.800 1.00 0.00 N ATOM 1195 CA ASN A 79 -12.957 10.356 14.015 1.00 0.00 C ATOM 1196 C ASN A 79 -11.708 11.234 13.917 1.00 0.00 C ATOM 1197 O ASN A 79 -10.677 10.921 14.511 1.00 0.00 O ATOM 1198 CB ASN A 79 -12.806 9.453 15.241 1.00 0.00 C ATOM 1199 CG ASN A 79 -14.167 9.148 15.869 1.00 0.00 C ATOM 1200 OD1 ASN A 79 -15.062 9.976 15.905 1.00 0.00 O ATOM 1201 ND2 ASN A 79 -14.271 7.917 16.362 1.00 0.00 N ATOM 0 H ASN A 79 -12.389 8.838 12.688 1.00 0.00 H new ATOM 0 HA ASN A 79 -13.856 10.963 14.123 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -12.318 8.522 14.953 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -12.163 9.937 15.976 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -15.140 7.616 16.804 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -13.482 7.274 16.298 1.00 0.00 H new ATOM 1208 N THR A 80 -11.842 12.316 13.165 1.00 0.00 N ATOM 1209 CA THR A 80 -10.737 13.242 12.981 1.00 0.00 C ATOM 1210 C THR A 80 -9.957 13.406 14.287 1.00 0.00 C ATOM 1211 O THR A 80 -8.730 13.491 14.276 1.00 0.00 O ATOM 1212 CB THR A 80 -11.305 14.556 12.443 1.00 0.00 C ATOM 1213 OG1 THR A 80 -12.250 14.956 13.432 1.00 0.00 O ATOM 1214 CG2 THR A 80 -12.147 14.357 11.181 1.00 0.00 C ATOM 0 H THR A 80 -12.699 12.573 12.676 1.00 0.00 H new ATOM 0 HA THR A 80 -10.018 12.862 12.255 1.00 0.00 H new ATOM 0 HB THR A 80 -10.487 15.244 12.228 1.00 0.00 H new ATOM 0 HG1 THR A 80 -12.666 15.802 13.164 1.00 0.00 H new ATOM 0 HG21 THR A 80 -12.526 15.321 10.841 1.00 0.00 H new ATOM 0 HG22 THR A 80 -11.531 13.913 10.399 1.00 0.00 H new ATOM 0 HG23 THR A 80 -12.984 13.696 11.403 1.00 0.00 H new ATOM 1222 N GLU A 81 -10.701 13.446 15.383 1.00 0.00 N ATOM 1223 CA GLU A 81 -10.095 13.599 16.694 1.00 0.00 C ATOM 1224 C GLU A 81 -9.094 12.470 16.951 1.00 0.00 C ATOM 1225 O GLU A 81 -7.935 12.726 17.275 1.00 0.00 O ATOM 1226 CB GLU A 81 -11.162 13.645 17.790 1.00 0.00 C ATOM 1227 CG GLU A 81 -10.795 14.664 18.871 1.00 0.00 C ATOM 1228 CD GLU A 81 -11.906 14.778 19.917 1.00 0.00 C ATOM 1229 OE1 GLU A 81 -12.315 13.713 20.428 1.00 0.00 O ATOM 1230 OE2 GLU A 81 -12.320 15.927 20.181 1.00 0.00 O ATOM 0 H GLU A 81 -11.719 13.375 15.389 1.00 0.00 H new ATOM 0 HA GLU A 81 -9.558 14.547 16.716 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -12.126 13.905 17.353 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -11.271 12.657 18.238 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -9.864 14.367 19.355 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -10.620 15.638 18.414 1.00 0.00 H new ATOM 1237 N SER A 82 -9.579 11.247 16.798 1.00 0.00 N ATOM 1238 CA SER A 82 -8.741 10.079 17.009 1.00 0.00 C ATOM 1239 C SER A 82 -7.748 9.931 15.855 1.00 0.00 C ATOM 1240 O SER A 82 -6.732 9.250 15.988 1.00 0.00 O ATOM 1241 CB SER A 82 -9.587 8.811 17.147 1.00 0.00 C ATOM 1242 OG SER A 82 -10.355 8.810 18.347 1.00 0.00 O ATOM 0 H SER A 82 -10.541 11.039 16.531 1.00 0.00 H new ATOM 0 HA SER A 82 -8.189 10.218 17.939 1.00 0.00 H new ATOM 0 HB2 SER A 82 -10.254 8.725 16.289 1.00 0.00 H new ATOM 0 HB3 SER A 82 -8.936 7.937 17.133 1.00 0.00 H new ATOM 0 HG SER A 82 -10.882 7.985 18.397 1.00 0.00 H new ATOM 1248 N SER A 83 -8.076 10.580 14.747 1.00 0.00 N ATOM 1249 CA SER A 83 -7.225 10.530 13.570 1.00 0.00 C ATOM 1250 C SER A 83 -6.110 11.571 13.686 1.00 0.00 C ATOM 1251 O SER A 83 -6.344 12.688 14.143 1.00 0.00 O ATOM 1252 CB SER A 83 -8.037 10.760 12.294 1.00 0.00 C ATOM 1253 OG SER A 83 -9.197 9.935 12.243 1.00 0.00 O ATOM 0 H SER A 83 -8.920 11.143 14.640 1.00 0.00 H new ATOM 0 HA SER A 83 -6.780 9.537 13.511 1.00 0.00 H new ATOM 0 HB2 SER A 83 -8.334 11.807 12.237 1.00 0.00 H new ATOM 0 HB3 SER A 83 -7.411 10.559 11.425 1.00 0.00 H new ATOM 0 HG SER A 83 -9.769 10.127 13.015 1.00 0.00 H new ATOM 1259 N LEU A 84 -4.921 11.167 13.263 1.00 0.00 N ATOM 1260 CA LEU A 84 -3.769 12.051 13.312 1.00 0.00 C ATOM 1261 C LEU A 84 -3.114 12.106 11.931 1.00 0.00 C ATOM 1262 O LEU A 84 -3.571 11.449 10.997 1.00 0.00 O ATOM 1263 CB LEU A 84 -2.814 11.624 14.429 1.00 0.00 C ATOM 1264 CG LEU A 84 -2.553 10.121 14.551 1.00 0.00 C ATOM 1265 CD1 LEU A 84 -1.838 9.587 13.308 1.00 0.00 C ATOM 1266 CD2 LEU A 84 -1.787 9.800 15.836 1.00 0.00 C ATOM 0 H LEU A 84 -4.731 10.239 12.885 1.00 0.00 H new ATOM 0 HA LEU A 84 -4.078 13.067 13.559 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -1.859 12.127 14.276 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -3.214 11.981 15.378 1.00 0.00 H new ATOM 0 HG LEU A 84 -3.514 9.611 14.614 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -1.664 8.517 13.420 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -2.457 9.764 12.428 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -0.883 10.099 13.189 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -1.615 8.726 15.898 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -0.830 10.321 15.829 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -2.370 10.124 16.698 1.00 0.00 H new ATOM 1278 N TRP A 85 -2.054 12.896 11.845 1.00 0.00 N ATOM 1279 CA TRP A 85 -1.331 13.046 10.594 1.00 0.00 C ATOM 1280 C TRP A 85 0.060 13.598 10.914 1.00 0.00 C ATOM 1281 O TRP A 85 0.185 14.628 11.574 1.00 0.00 O ATOM 1282 CB TRP A 85 -2.111 13.922 9.612 1.00 0.00 C ATOM 1283 CG TRP A 85 -1.629 15.373 9.554 1.00 0.00 C ATOM 1284 CD1 TRP A 85 -2.182 16.449 10.131 1.00 0.00 C ATOM 1285 CD2 TRP A 85 -0.467 15.866 8.855 1.00 0.00 C ATOM 1286 NE1 TRP A 85 -1.464 17.595 9.856 1.00 0.00 N ATOM 1287 CE2 TRP A 85 -0.388 17.229 9.055 1.00 0.00 C ATOM 1288 CE3 TRP A 85 0.486 15.183 8.079 1.00 0.00 C ATOM 1289 CZ2 TRP A 85 0.627 18.026 8.513 1.00 0.00 C ATOM 1290 CZ3 TRP A 85 1.494 15.994 7.543 1.00 0.00 C ATOM 1291 CH2 TRP A 85 1.587 17.367 7.736 1.00 0.00 C ATOM 0 H TRP A 85 -1.678 13.439 12.622 1.00 0.00 H new ATOM 0 HA TRP A 85 -1.217 12.083 10.097 1.00 0.00 H new ATOM 0 HB2 TRP A 85 -2.039 13.486 8.616 1.00 0.00 H new ATOM 0 HB3 TRP A 85 -3.165 13.911 9.889 1.00 0.00 H new ATOM 0 HD1 TRP A 85 -3.077 16.422 10.735 1.00 0.00 H new ATOM 0 HE1 TRP A 85 -1.682 18.537 10.181 1.00 0.00 H new ATOM 0 HE3 TRP A 85 0.444 14.117 7.910 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 0.667 19.091 8.685 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 2.252 15.519 6.937 1.00 0.00 H new ATOM 0 HH2 TRP A 85 2.397 17.924 7.288 1.00 0.00 H new ATOM 1302 N SER A 86 1.069 12.889 10.430 1.00 0.00 N ATOM 1303 CA SER A 86 2.445 13.295 10.656 1.00 0.00 C ATOM 1304 C SER A 86 3.224 13.260 9.340 1.00 0.00 C ATOM 1305 O SER A 86 2.825 12.580 8.396 1.00 0.00 O ATOM 1306 CB SER A 86 3.120 12.399 11.697 1.00 0.00 C ATOM 1307 OG SER A 86 3.257 13.052 12.956 1.00 0.00 O ATOM 0 H SER A 86 0.961 12.036 9.882 1.00 0.00 H new ATOM 0 HA SER A 86 2.442 14.315 11.041 1.00 0.00 H new ATOM 0 HB2 SER A 86 2.536 11.487 11.823 1.00 0.00 H new ATOM 0 HB3 SER A 86 4.104 12.100 11.335 1.00 0.00 H new ATOM 0 HG SER A 86 3.690 12.447 13.593 1.00 0.00 H new ATOM 1313 N LEU A 87 4.322 14.002 9.319 1.00 0.00 N ATOM 1314 CA LEU A 87 5.160 14.065 8.134 1.00 0.00 C ATOM 1315 C LEU A 87 6.533 13.470 8.454 1.00 0.00 C ATOM 1316 O LEU A 87 7.058 13.664 9.549 1.00 0.00 O ATOM 1317 CB LEU A 87 5.221 15.496 7.596 1.00 0.00 C ATOM 1318 CG LEU A 87 6.302 15.773 6.549 1.00 0.00 C ATOM 1319 CD1 LEU A 87 7.667 15.971 7.210 1.00 0.00 C ATOM 1320 CD2 LEU A 87 6.333 14.672 5.488 1.00 0.00 C ATOM 0 H LEU A 87 4.650 14.565 10.104 1.00 0.00 H new ATOM 0 HA LEU A 87 4.731 13.465 7.332 1.00 0.00 H new ATOM 0 HB2 LEU A 87 4.252 15.742 7.162 1.00 0.00 H new ATOM 0 HB3 LEU A 87 5.375 16.173 8.436 1.00 0.00 H new ATOM 0 HG LEU A 87 6.053 16.704 6.039 1.00 0.00 H new ATOM 0 HD11 LEU A 87 8.417 16.166 6.444 1.00 0.00 H new ATOM 0 HD12 LEU A 87 7.620 16.817 7.896 1.00 0.00 H new ATOM 0 HD13 LEU A 87 7.938 15.071 7.762 1.00 0.00 H new ATOM 0 HD21 LEU A 87 7.110 14.894 4.756 1.00 0.00 H new ATOM 0 HD22 LEU A 87 6.545 13.714 5.964 1.00 0.00 H new ATOM 0 HD23 LEU A 87 5.366 14.622 4.987 1.00 0.00 H new ATOM 1332 N GLU A 88 7.075 12.756 7.478 1.00 0.00 N ATOM 1333 CA GLU A 88 8.376 12.131 7.642 1.00 0.00 C ATOM 1334 C GLU A 88 9.333 12.601 6.544 1.00 0.00 C ATOM 1335 O GLU A 88 8.963 12.648 5.372 1.00 0.00 O ATOM 1336 CB GLU A 88 8.255 10.606 7.648 1.00 0.00 C ATOM 1337 CG GLU A 88 7.378 10.130 8.807 1.00 0.00 C ATOM 1338 CD GLU A 88 8.137 9.147 9.702 1.00 0.00 C ATOM 1339 OE1 GLU A 88 9.145 9.585 10.297 1.00 0.00 O ATOM 1340 OE2 GLU A 88 7.692 7.982 9.769 1.00 0.00 O ATOM 0 H GLU A 88 6.637 12.597 6.571 1.00 0.00 H new ATOM 0 HA GLU A 88 8.784 12.434 8.606 1.00 0.00 H new ATOM 0 HB2 GLU A 88 7.830 10.268 6.703 1.00 0.00 H new ATOM 0 HB3 GLU A 88 9.246 10.159 7.730 1.00 0.00 H new ATOM 0 HG2 GLU A 88 7.052 10.987 9.397 1.00 0.00 H new ATOM 0 HG3 GLU A 88 6.480 9.652 8.416 1.00 0.00 H new ATOM 1347 N PRO A 89 10.576 12.946 6.973 1.00 0.00 N ATOM 1348 CA PRO A 89 11.589 13.410 6.040 1.00 0.00 C ATOM 1349 C PRO A 89 12.156 12.248 5.223 1.00 0.00 C ATOM 1350 O PRO A 89 12.679 11.286 5.784 1.00 0.00 O ATOM 1351 CB PRO A 89 12.635 14.095 6.904 1.00 0.00 C ATOM 1352 CG PRO A 89 12.407 13.586 8.318 1.00 0.00 C ATOM 1353 CD PRO A 89 11.050 12.902 8.354 1.00 0.00 C ATOM 0 HA PRO A 89 11.191 14.101 5.297 1.00 0.00 H new ATOM 0 HB2 PRO A 89 13.642 13.857 6.561 1.00 0.00 H new ATOM 0 HB3 PRO A 89 12.531 15.179 6.858 1.00 0.00 H new ATOM 0 HG2 PRO A 89 13.194 12.888 8.604 1.00 0.00 H new ATOM 0 HG3 PRO A 89 12.438 14.411 9.030 1.00 0.00 H new ATOM 0 HD2 PRO A 89 11.133 11.876 8.712 1.00 0.00 H new ATOM 0 HD3 PRO A 89 10.364 13.419 9.025 1.00 0.00 H new ATOM 1361 N GLY A 90 12.032 12.374 3.910 1.00 0.00 N ATOM 1362 CA GLY A 90 12.526 11.345 3.010 1.00 0.00 C ATOM 1363 C GLY A 90 11.945 9.977 3.369 1.00 0.00 C ATOM 1364 O GLY A 90 12.673 8.987 3.436 1.00 0.00 O ATOM 0 H GLY A 90 11.597 13.172 3.448 1.00 0.00 H new ATOM 0 HA2 GLY A 90 12.262 11.598 1.983 1.00 0.00 H new ATOM 0 HA3 GLY A 90 13.614 11.306 3.059 1.00 0.00 H new ATOM 1368 N LYS A 91 10.638 9.964 3.592 1.00 0.00 N ATOM 1369 CA LYS A 91 9.951 8.733 3.943 1.00 0.00 C ATOM 1370 C LYS A 91 8.560 8.731 3.307 1.00 0.00 C ATOM 1371 O LYS A 91 8.422 8.498 2.107 1.00 0.00 O ATOM 1372 CB LYS A 91 9.934 8.543 5.461 1.00 0.00 C ATOM 1373 CG LYS A 91 11.191 7.812 5.937 1.00 0.00 C ATOM 1374 CD LYS A 91 10.882 6.350 6.268 1.00 0.00 C ATOM 1375 CE LYS A 91 11.508 5.947 7.604 1.00 0.00 C ATOM 1376 NZ LYS A 91 10.455 5.682 8.610 1.00 0.00 N ATOM 0 H LYS A 91 10.037 10.787 3.536 1.00 0.00 H new ATOM 0 HA LYS A 91 10.485 7.871 3.543 1.00 0.00 H new ATOM 0 HB2 LYS A 91 9.866 9.514 5.952 1.00 0.00 H new ATOM 0 HB3 LYS A 91 9.049 7.977 5.750 1.00 0.00 H new ATOM 0 HG2 LYS A 91 11.958 7.859 5.164 1.00 0.00 H new ATOM 0 HG3 LYS A 91 11.595 8.311 6.818 1.00 0.00 H new ATOM 0 HD2 LYS A 91 9.803 6.203 6.309 1.00 0.00 H new ATOM 0 HD3 LYS A 91 11.262 5.706 5.475 1.00 0.00 H new ATOM 0 HE2 LYS A 91 12.124 5.058 7.470 1.00 0.00 H new ATOM 0 HE3 LYS A 91 12.166 6.740 7.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 10.897 5.410 9.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 9.884 6.540 8.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 9.843 4.910 8.277 1.00 0.00 H new ATOM 1390 N CYS A 92 7.563 8.995 4.139 1.00 0.00 N ATOM 1391 CA CYS A 92 6.187 9.027 3.673 1.00 0.00 C ATOM 1392 C CYS A 92 5.340 9.743 4.727 1.00 0.00 C ATOM 1393 O CYS A 92 5.837 10.089 5.798 1.00 0.00 O ATOM 1394 CB CYS A 92 5.659 7.623 3.374 1.00 0.00 C ATOM 1395 SG CYS A 92 6.410 6.413 4.523 1.00 0.00 S ATOM 0 H CYS A 92 7.681 9.189 5.133 1.00 0.00 H new ATOM 0 HA CYS A 92 6.131 9.573 2.731 1.00 0.00 H new ATOM 0 HB2 CYS A 92 4.574 7.605 3.473 1.00 0.00 H new ATOM 0 HB3 CYS A 92 5.890 7.351 2.344 1.00 0.00 H new ATOM 0 HG CYS A 92 5.953 5.225 4.261 1.00 0.00 H new ATOM 1401 N VAL A 93 4.075 9.944 4.387 1.00 0.00 N ATOM 1402 CA VAL A 93 3.154 10.612 5.290 1.00 0.00 C ATOM 1403 C VAL A 93 2.302 9.565 6.009 1.00 0.00 C ATOM 1404 O VAL A 93 1.710 8.696 5.370 1.00 0.00 O ATOM 1405 CB VAL A 93 2.319 11.638 4.521 1.00 0.00 C ATOM 1406 CG1 VAL A 93 1.263 12.275 5.427 1.00 0.00 C ATOM 1407 CG2 VAL A 93 3.211 12.705 3.884 1.00 0.00 C ATOM 0 H VAL A 93 3.666 9.656 3.498 1.00 0.00 H new ATOM 0 HA VAL A 93 3.701 11.165 6.053 1.00 0.00 H new ATOM 0 HB VAL A 93 1.800 11.114 3.719 1.00 0.00 H new ATOM 0 HG11 VAL A 93 0.683 13.000 4.856 1.00 0.00 H new ATOM 0 HG12 VAL A 93 0.598 11.501 5.811 1.00 0.00 H new ATOM 0 HG13 VAL A 93 1.754 12.778 6.260 1.00 0.00 H new ATOM 0 HG21 VAL A 93 2.592 13.421 3.344 1.00 0.00 H new ATOM 0 HG22 VAL A 93 3.771 13.223 4.662 1.00 0.00 H new ATOM 0 HG23 VAL A 93 3.907 12.231 3.191 1.00 0.00 H new ATOM 1417 N LEU A 94 2.266 9.682 7.329 1.00 0.00 N ATOM 1418 CA LEU A 94 1.496 8.756 8.141 1.00 0.00 C ATOM 1419 C LEU A 94 0.141 9.382 8.475 1.00 0.00 C ATOM 1420 O LEU A 94 0.061 10.570 8.784 1.00 0.00 O ATOM 1421 CB LEU A 94 2.297 8.330 9.374 1.00 0.00 C ATOM 1422 CG LEU A 94 1.846 7.035 10.052 1.00 0.00 C ATOM 1423 CD1 LEU A 94 0.530 7.241 10.806 1.00 0.00 C ATOM 1424 CD2 LEU A 94 1.755 5.890 9.043 1.00 0.00 C ATOM 0 H LEU A 94 2.758 10.404 7.856 1.00 0.00 H new ATOM 0 HA LEU A 94 1.296 7.839 7.586 1.00 0.00 H new ATOM 0 HB2 LEU A 94 3.342 8.220 9.084 1.00 0.00 H new ATOM 0 HB3 LEU A 94 2.253 9.135 10.107 1.00 0.00 H new ATOM 0 HG LEU A 94 2.599 6.755 10.788 1.00 0.00 H new ATOM 0 HD11 LEU A 94 0.231 6.305 11.279 1.00 0.00 H new ATOM 0 HD12 LEU A 94 0.664 8.007 11.570 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -0.244 7.557 10.107 1.00 0.00 H new ATOM 0 HD21 LEU A 94 1.432 4.982 9.552 1.00 0.00 H new ATOM 0 HD22 LEU A 94 1.035 6.146 8.266 1.00 0.00 H new ATOM 0 HD23 LEU A 94 2.733 5.725 8.591 1.00 0.00 H new ATOM 1436 N VAL A 95 -0.892 8.556 8.401 1.00 0.00 N ATOM 1437 CA VAL A 95 -2.240 9.014 8.692 1.00 0.00 C ATOM 1438 C VAL A 95 -3.034 7.875 9.334 1.00 0.00 C ATOM 1439 O VAL A 95 -3.095 6.773 8.791 1.00 0.00 O ATOM 1440 CB VAL A 95 -2.894 9.555 7.419 1.00 0.00 C ATOM 1441 CG1 VAL A 95 -4.333 9.999 7.689 1.00 0.00 C ATOM 1442 CG2 VAL A 95 -2.071 10.698 6.823 1.00 0.00 C ATOM 0 H VAL A 95 -0.823 7.571 8.144 1.00 0.00 H new ATOM 0 HA VAL A 95 -2.218 9.837 9.406 1.00 0.00 H new ATOM 0 HB VAL A 95 -2.924 8.747 6.688 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -4.775 10.379 6.768 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -4.915 9.150 8.047 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -4.336 10.785 8.444 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -2.558 11.064 5.919 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -1.995 11.508 7.548 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -1.072 10.337 6.576 1.00 0.00 H new ATOM 1452 N ASN A 96 -3.622 8.180 10.481 1.00 0.00 N ATOM 1453 CA ASN A 96 -4.410 7.195 11.204 1.00 0.00 C ATOM 1454 C ASN A 96 -5.886 7.594 11.155 1.00 0.00 C ATOM 1455 O ASN A 96 -6.245 8.706 11.539 1.00 0.00 O ATOM 1456 CB ASN A 96 -3.988 7.122 12.672 1.00 0.00 C ATOM 1457 CG ASN A 96 -2.822 6.150 12.861 1.00 0.00 C ATOM 1458 OD1 ASN A 96 -1.696 6.533 12.266 1.00 0.00 O flip ATOM 1459 ND2 ASN A 96 -2.937 5.119 13.503 1.00 0.00 N flip ATOM 0 H ASN A 96 -3.569 9.095 10.928 1.00 0.00 H new ATOM 0 HA ASN A 96 -4.250 6.224 10.735 1.00 0.00 H new ATOM 0 HB2 ASN A 96 -3.699 8.114 13.021 1.00 0.00 H new ATOM 0 HB3 ASN A 96 -4.834 6.804 13.282 1.00 0.00 H new ATOM 0 HD21 ASN A 96 -3.831 4.884 13.935 1.00 0.00 H new ATOM 0 HD22 ASN A 96 -2.139 4.492 13.608 1.00 0.00 H new ATOM 1466 N LEU A 97 -6.702 6.664 10.680 1.00 0.00 N ATOM 1467 CA LEU A 97 -8.131 6.905 10.576 1.00 0.00 C ATOM 1468 C LEU A 97 -8.870 5.995 11.559 1.00 0.00 C ATOM 1469 O LEU A 97 -8.895 4.777 11.384 1.00 0.00 O ATOM 1470 CB LEU A 97 -8.596 6.752 9.127 1.00 0.00 C ATOM 1471 CG LEU A 97 -8.042 7.774 8.132 1.00 0.00 C ATOM 1472 CD1 LEU A 97 -8.786 7.699 6.797 1.00 0.00 C ATOM 1473 CD2 LEU A 97 -8.067 9.184 8.724 1.00 0.00 C ATOM 0 H LEU A 97 -6.401 5.743 10.363 1.00 0.00 H new ATOM 0 HA LEU A 97 -8.366 7.932 10.854 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -8.323 5.755 8.782 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -9.684 6.809 9.108 1.00 0.00 H new ATOM 0 HG LEU A 97 -6.999 7.527 7.933 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -8.373 8.436 6.108 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -8.672 6.701 6.373 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -9.844 7.906 6.958 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -7.668 9.891 7.997 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -9.093 9.457 8.970 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -7.458 9.210 9.627 1.00 0.00 H new ATOM 1485 N SER A 98 -9.454 6.620 12.570 1.00 0.00 N ATOM 1486 CA SER A 98 -10.192 5.881 13.581 1.00 0.00 C ATOM 1487 C SER A 98 -11.682 5.870 13.238 1.00 0.00 C ATOM 1488 O SER A 98 -12.379 6.861 13.451 1.00 0.00 O ATOM 1489 CB SER A 98 -9.971 6.480 14.972 1.00 0.00 C ATOM 1490 OG SER A 98 -9.442 5.525 15.887 1.00 0.00 O ATOM 0 H SER A 98 -9.431 7.630 12.711 1.00 0.00 H new ATOM 0 HA SER A 98 -9.822 4.856 13.594 1.00 0.00 H new ATOM 0 HB2 SER A 98 -9.289 7.327 14.898 1.00 0.00 H new ATOM 0 HB3 SER A 98 -10.916 6.864 15.355 1.00 0.00 H new ATOM 0 HG SER A 98 -9.608 5.825 16.805 1.00 0.00 H new ATOM 1496 N LYS A 99 -12.128 4.739 12.712 1.00 0.00 N ATOM 1497 CA LYS A 99 -13.523 4.586 12.337 1.00 0.00 C ATOM 1498 C LYS A 99 -14.411 5.020 13.505 1.00 0.00 C ATOM 1499 O LYS A 99 -14.049 4.838 14.666 1.00 0.00 O ATOM 1500 CB LYS A 99 -13.796 3.160 11.855 1.00 0.00 C ATOM 1501 CG LYS A 99 -12.823 2.762 10.743 1.00 0.00 C ATOM 1502 CD LYS A 99 -13.313 1.514 10.006 1.00 0.00 C ATOM 1503 CE LYS A 99 -12.197 0.907 9.153 1.00 0.00 C ATOM 1504 NZ LYS A 99 -12.063 -0.541 9.430 1.00 0.00 N ATOM 0 H LYS A 99 -11.547 3.919 12.537 1.00 0.00 H new ATOM 0 HA LYS A 99 -13.763 5.234 11.494 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -13.703 2.466 12.690 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -14.821 3.085 11.491 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -12.715 3.586 10.038 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -11.837 2.574 11.168 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -13.666 0.777 10.727 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -14.161 1.771 9.372 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -12.413 1.063 8.096 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -11.254 1.412 9.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -11.302 -0.938 8.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -11.835 -0.683 10.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -12.958 -1.021 9.207 1.00 0.00 H new ATOM 1518 N VAL A 100 -15.558 5.586 13.157 1.00 0.00 N ATOM 1519 CA VAL A 100 -16.500 6.047 14.162 1.00 0.00 C ATOM 1520 C VAL A 100 -17.467 4.913 14.507 1.00 0.00 C ATOM 1521 O VAL A 100 -18.673 5.131 14.614 1.00 0.00 O ATOM 1522 CB VAL A 100 -17.211 7.310 13.672 1.00 0.00 C ATOM 1523 CG1 VAL A 100 -16.249 8.499 13.626 1.00 0.00 C ATOM 1524 CG2 VAL A 100 -17.861 7.079 12.306 1.00 0.00 C ATOM 0 H VAL A 100 -15.856 5.736 12.193 1.00 0.00 H new ATOM 0 HA VAL A 100 -15.977 6.319 15.079 1.00 0.00 H new ATOM 0 HB VAL A 100 -18.002 7.546 14.384 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -16.780 9.383 13.274 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -15.854 8.686 14.624 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -15.427 8.276 12.946 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -18.359 7.992 11.981 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -17.095 6.806 11.580 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -18.592 6.274 12.382 1.00 0.00 H new ATOM 1534 N GLY A 101 -16.901 3.726 14.672 1.00 0.00 N ATOM 1535 CA GLY A 101 -17.698 2.557 15.004 1.00 0.00 C ATOM 1536 C GLY A 101 -17.109 1.295 14.372 1.00 0.00 C ATOM 1537 O GLY A 101 -15.894 1.102 14.378 1.00 0.00 O ATOM 0 H GLY A 101 -15.901 3.549 14.582 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -17.743 2.439 16.087 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -18.721 2.699 14.656 1.00 0.00 H new ATOM 1541 N GLU A 102 -17.997 0.467 13.841 1.00 0.00 N ATOM 1542 CA GLU A 102 -17.579 -0.772 13.206 1.00 0.00 C ATOM 1543 C GLU A 102 -18.164 -0.868 11.795 1.00 0.00 C ATOM 1544 O GLU A 102 -19.293 -1.321 11.617 1.00 0.00 O ATOM 1545 CB GLU A 102 -17.981 -1.983 14.050 1.00 0.00 C ATOM 1546 CG GLU A 102 -19.472 -1.941 14.394 1.00 0.00 C ATOM 1547 CD GLU A 102 -20.086 -3.342 14.343 1.00 0.00 C ATOM 1548 OE1 GLU A 102 -19.949 -4.058 15.358 1.00 0.00 O ATOM 1549 OE2 GLU A 102 -20.677 -3.664 13.290 1.00 0.00 O ATOM 0 H GLU A 102 -19.004 0.630 13.837 1.00 0.00 H new ATOM 0 HA GLU A 102 -16.492 -0.770 13.128 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -17.755 -2.901 13.507 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -17.393 -2.003 14.967 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -19.608 -1.517 15.389 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -19.992 -1.286 13.695 1.00 0.00 H new ATOM 1556 N TYR A 103 -17.368 -0.435 10.829 1.00 0.00 N ATOM 1557 CA TYR A 103 -17.792 -0.467 9.439 1.00 0.00 C ATOM 1558 C TYR A 103 -16.746 -1.158 8.562 1.00 0.00 C ATOM 1559 O TYR A 103 -15.567 -1.202 8.913 1.00 0.00 O ATOM 1560 CB TYR A 103 -17.920 0.994 9.004 1.00 0.00 C ATOM 1561 CG TYR A 103 -19.041 1.758 9.711 1.00 0.00 C ATOM 1562 CD1 TYR A 103 -20.352 1.581 9.318 1.00 0.00 C ATOM 1563 CD2 TYR A 103 -18.741 2.624 10.743 1.00 0.00 C ATOM 1564 CE1 TYR A 103 -21.407 2.301 9.983 1.00 0.00 C ATOM 1565 CE2 TYR A 103 -19.796 3.343 11.409 1.00 0.00 C ATOM 1566 CZ TYR A 103 -21.077 3.146 10.996 1.00 0.00 C ATOM 1567 OH TYR A 103 -22.073 3.825 11.625 1.00 0.00 O ATOM 0 H TYR A 103 -16.432 -0.060 10.981 1.00 0.00 H new ATOM 0 HA TYR A 103 -18.727 -1.018 9.336 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -16.974 1.502 9.191 1.00 0.00 H new ATOM 0 HB3 TYR A 103 -18.093 1.028 7.928 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -20.587 0.902 8.511 1.00 0.00 H new ATOM 0 HD2 TYR A 103 -17.715 2.762 11.051 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -22.437 2.173 9.684 1.00 0.00 H new ATOM 0 HE2 TYR A 103 -19.575 4.023 12.218 1.00 0.00 H new ATOM 0 HH TYR A 103 -21.690 4.390 12.328 1.00 0.00 H new ATOM 1577 N TRP A 104 -17.214 -1.681 7.439 1.00 0.00 N ATOM 1578 CA TRP A 104 -16.334 -2.368 6.509 1.00 0.00 C ATOM 1579 C TRP A 104 -15.964 -1.387 5.395 1.00 0.00 C ATOM 1580 O TRP A 104 -16.774 -1.114 4.510 1.00 0.00 O ATOM 1581 CB TRP A 104 -16.983 -3.651 5.985 1.00 0.00 C ATOM 1582 CG TRP A 104 -16.152 -4.383 4.930 1.00 0.00 C ATOM 1583 CD1 TRP A 104 -16.023 -4.085 3.629 1.00 0.00 C ATOM 1584 CD2 TRP A 104 -15.334 -5.553 5.138 1.00 0.00 C ATOM 1585 NE1 TRP A 104 -15.185 -4.975 2.987 1.00 0.00 N ATOM 1586 CE2 TRP A 104 -14.754 -5.896 3.934 1.00 0.00 C ATOM 1587 CE3 TRP A 104 -15.093 -6.298 6.306 1.00 0.00 C ATOM 1588 CZ2 TRP A 104 -13.895 -6.991 3.782 1.00 0.00 C ATOM 1589 CZ3 TRP A 104 -14.233 -7.390 6.137 1.00 0.00 C ATOM 1590 CH2 TRP A 104 -13.641 -7.748 4.932 1.00 0.00 C ATOM 0 H TRP A 104 -18.192 -1.643 7.152 1.00 0.00 H new ATOM 0 HA TRP A 104 -15.420 -2.688 7.009 1.00 0.00 H new ATOM 0 HB2 TRP A 104 -17.161 -4.324 6.823 1.00 0.00 H new ATOM 0 HB3 TRP A 104 -17.956 -3.406 5.560 1.00 0.00 H new ATOM 0 HD1 TRP A 104 -16.513 -3.253 3.144 1.00 0.00 H new ATOM 0 HE1 TRP A 104 -14.929 -4.959 2.000 1.00 0.00 H new ATOM 0 HE3 TRP A 104 -15.536 -6.048 7.258 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 -13.452 -7.239 2.829 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 -14.015 -7.996 7.004 1.00 0.00 H new ATOM 0 HH2 TRP A 104 -12.988 -8.607 4.883 1.00 0.00 H new ATOM 1601 N TRP A 105 -14.742 -0.883 5.475 1.00 0.00 N ATOM 1602 CA TRP A 105 -14.255 0.062 4.484 1.00 0.00 C ATOM 1603 C TRP A 105 -13.765 -0.733 3.273 1.00 0.00 C ATOM 1604 O TRP A 105 -12.645 -1.242 3.271 1.00 0.00 O ATOM 1605 CB TRP A 105 -13.178 0.972 5.077 1.00 0.00 C ATOM 1606 CG TRP A 105 -13.732 2.145 5.889 1.00 0.00 C ATOM 1607 CD1 TRP A 105 -14.676 2.118 6.839 1.00 0.00 C ATOM 1608 CD2 TRP A 105 -13.335 3.528 5.782 1.00 0.00 C ATOM 1609 NE1 TRP A 105 -14.915 3.377 7.351 1.00 0.00 N ATOM 1610 CE2 TRP A 105 -14.074 4.262 6.687 1.00 0.00 C ATOM 1611 CE3 TRP A 105 -12.382 4.140 4.948 1.00 0.00 C ATOM 1612 CZ2 TRP A 105 -13.937 5.646 6.845 1.00 0.00 C ATOM 1613 CZ3 TRP A 105 -12.258 5.524 5.118 1.00 0.00 C ATOM 1614 CH2 TRP A 105 -12.994 6.277 6.025 1.00 0.00 C ATOM 0 H TRP A 105 -14.074 -1.111 6.211 1.00 0.00 H new ATOM 0 HA TRP A 105 -15.055 0.729 4.162 1.00 0.00 H new ATOM 0 HB2 TRP A 105 -12.526 0.377 5.716 1.00 0.00 H new ATOM 0 HB3 TRP A 105 -12.561 1.363 4.268 1.00 0.00 H new ATOM 0 HD1 TRP A 105 -15.186 1.223 7.164 1.00 0.00 H new ATOM 0 HE1 TRP A 105 -15.585 3.614 8.082 1.00 0.00 H new ATOM 0 HE3 TRP A 105 -11.792 3.586 4.233 1.00 0.00 H new ATOM 0 HZ2 TRP A 105 -14.527 6.198 7.561 1.00 0.00 H new ATOM 0 HZ3 TRP A 105 -11.540 6.043 4.501 1.00 0.00 H new ATOM 0 HH2 TRP A 105 -12.839 7.343 6.097 1.00 0.00 H new ATOM 1625 N ASN A 106 -14.628 -0.816 2.271 1.00 0.00 N ATOM 1626 CA ASN A 106 -14.297 -1.541 1.056 1.00 0.00 C ATOM 1627 C ASN A 106 -13.223 -0.772 0.285 1.00 0.00 C ATOM 1628 O ASN A 106 -12.579 -1.323 -0.606 1.00 0.00 O ATOM 1629 CB ASN A 106 -15.521 -1.682 0.148 1.00 0.00 C ATOM 1630 CG ASN A 106 -16.230 -0.338 -0.029 1.00 0.00 C ATOM 1631 OD1 ASN A 106 -15.823 0.511 -0.804 1.00 0.00 O ATOM 1632 ND2 ASN A 106 -17.312 -0.194 0.732 1.00 0.00 N ATOM 0 H ASN A 106 -15.556 -0.393 2.276 1.00 0.00 H new ATOM 0 HA ASN A 106 -13.943 -2.532 1.340 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -15.214 -2.066 -0.825 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -16.213 -2.409 0.574 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -17.856 0.668 0.687 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -17.598 -0.945 1.360 1.00 0.00 H new ATOM 1639 N ALA A 107 -13.062 0.489 0.657 1.00 0.00 N ATOM 1640 CA ALA A 107 -12.076 1.340 0.011 1.00 0.00 C ATOM 1641 C ALA A 107 -11.908 2.626 0.823 1.00 0.00 C ATOM 1642 O ALA A 107 -12.662 2.873 1.763 1.00 0.00 O ATOM 1643 CB ALA A 107 -12.504 1.613 -1.432 1.00 0.00 C ATOM 0 H ALA A 107 -13.597 0.943 1.397 1.00 0.00 H new ATOM 0 HA ALA A 107 -11.106 0.844 -0.025 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -11.765 2.251 -1.916 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -12.580 0.670 -1.974 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -13.473 2.113 -1.436 1.00 0.00 H new ATOM 1649 N ILE A 108 -10.915 3.410 0.431 1.00 0.00 N ATOM 1650 CA ILE A 108 -10.639 4.664 1.111 1.00 0.00 C ATOM 1651 C ILE A 108 -11.526 5.764 0.524 1.00 0.00 C ATOM 1652 O ILE A 108 -12.327 6.366 1.237 1.00 0.00 O ATOM 1653 CB ILE A 108 -9.144 4.985 1.055 1.00 0.00 C ATOM 1654 CG1 ILE A 108 -8.323 3.898 1.752 1.00 0.00 C ATOM 1655 CG2 ILE A 108 -8.860 6.375 1.630 1.00 0.00 C ATOM 1656 CD1 ILE A 108 -8.475 3.986 3.272 1.00 0.00 C ATOM 0 H ILE A 108 -10.292 3.201 -0.349 1.00 0.00 H new ATOM 0 HA ILE A 108 -10.886 4.586 2.170 1.00 0.00 H new ATOM 0 HB ILE A 108 -8.837 5.000 0.009 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -8.646 2.916 1.407 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -7.272 4.001 1.481 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -7.790 6.578 1.578 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -9.400 7.125 1.052 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -9.187 6.413 2.669 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -7.881 3.202 3.743 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -8.128 4.960 3.617 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -9.524 3.858 3.541 1.00 0.00 H new ATOM 1668 N LEU A 109 -11.354 5.991 -0.770 1.00 0.00 N ATOM 1669 CA LEU A 109 -12.130 7.008 -1.460 1.00 0.00 C ATOM 1670 C LEU A 109 -13.269 6.338 -2.231 1.00 0.00 C ATOM 1671 O LEU A 109 -13.359 5.112 -2.272 1.00 0.00 O ATOM 1672 CB LEU A 109 -11.220 7.872 -2.336 1.00 0.00 C ATOM 1673 CG LEU A 109 -10.015 8.502 -1.634 1.00 0.00 C ATOM 1674 CD1 LEU A 109 -9.098 9.200 -2.641 1.00 0.00 C ATOM 1675 CD2 LEU A 109 -10.463 9.446 -0.516 1.00 0.00 C ATOM 0 H LEU A 109 -10.689 5.489 -1.358 1.00 0.00 H new ATOM 0 HA LEU A 109 -12.587 7.690 -0.744 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -10.856 7.260 -3.161 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -11.820 8.671 -2.772 1.00 0.00 H new ATOM 0 HG LEU A 109 -9.435 7.705 -1.169 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -8.249 9.639 -2.117 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -8.738 8.474 -3.369 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -9.653 9.985 -3.155 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -9.587 9.880 -0.034 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -11.078 10.242 -0.936 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -11.044 8.889 0.219 1.00 0.00 H new ATOM 1687 N GLU A 110 -14.111 7.172 -2.823 1.00 0.00 N ATOM 1688 CA GLU A 110 -15.241 6.676 -3.589 1.00 0.00 C ATOM 1689 C GLU A 110 -14.839 6.464 -5.050 1.00 0.00 C ATOM 1690 O GLU A 110 -15.575 5.843 -5.816 1.00 0.00 O ATOM 1691 CB GLU A 110 -16.436 7.625 -3.482 1.00 0.00 C ATOM 1692 CG GLU A 110 -17.429 7.139 -2.425 1.00 0.00 C ATOM 1693 CD GLU A 110 -18.871 7.414 -2.858 1.00 0.00 C ATOM 1694 OE1 GLU A 110 -19.228 6.956 -3.965 1.00 0.00 O ATOM 1695 OE2 GLU A 110 -19.583 8.077 -2.074 1.00 0.00 O ATOM 0 H GLU A 110 -14.033 8.188 -2.787 1.00 0.00 H new ATOM 0 HA GLU A 110 -15.544 5.716 -3.172 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -16.088 8.626 -3.226 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -16.935 7.698 -4.448 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -17.293 6.070 -2.258 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -17.229 7.638 -1.477 1.00 0.00 H new ATOM 1702 N GLY A 111 -13.673 6.991 -5.392 1.00 0.00 N ATOM 1703 CA GLY A 111 -13.164 6.867 -6.748 1.00 0.00 C ATOM 1704 C GLY A 111 -12.644 5.453 -7.011 1.00 0.00 C ATOM 1705 O GLY A 111 -12.679 4.976 -8.144 1.00 0.00 O ATOM 0 H GLY A 111 -13.066 7.505 -4.754 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -13.954 7.106 -7.460 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -12.363 7.588 -6.907 1.00 0.00 H new ATOM 1709 N GLU A 112 -12.174 4.822 -5.946 1.00 0.00 N ATOM 1710 CA GLU A 112 -11.647 3.471 -6.047 1.00 0.00 C ATOM 1711 C GLU A 112 -12.786 2.472 -6.259 1.00 0.00 C ATOM 1712 O GLU A 112 -13.896 2.858 -6.622 1.00 0.00 O ATOM 1713 CB GLU A 112 -10.823 3.110 -4.810 1.00 0.00 C ATOM 1714 CG GLU A 112 -9.494 2.464 -5.206 1.00 0.00 C ATOM 1715 CD GLU A 112 -8.512 3.511 -5.737 1.00 0.00 C ATOM 1716 OE1 GLU A 112 -8.992 4.451 -6.407 1.00 0.00 O ATOM 1717 OE2 GLU A 112 -7.304 3.349 -5.459 1.00 0.00 O ATOM 0 H GLU A 112 -12.147 5.221 -5.008 1.00 0.00 H new ATOM 0 HA GLU A 112 -10.983 3.424 -6.910 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -10.634 4.007 -4.220 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -11.390 2.426 -4.178 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -9.060 1.958 -4.344 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -9.668 1.704 -5.968 1.00 0.00 H new ATOM 1724 N GLU A 113 -12.472 1.207 -6.023 1.00 0.00 N ATOM 1725 CA GLU A 113 -13.455 0.149 -6.184 1.00 0.00 C ATOM 1726 C GLU A 113 -13.627 -0.619 -4.872 1.00 0.00 C ATOM 1727 O GLU A 113 -12.715 -0.658 -4.047 1.00 0.00 O ATOM 1728 CB GLU A 113 -13.065 -0.794 -7.324 1.00 0.00 C ATOM 1729 CG GLU A 113 -13.665 -0.327 -8.651 1.00 0.00 C ATOM 1730 CD GLU A 113 -12.862 -0.867 -9.836 1.00 0.00 C ATOM 1731 OE1 GLU A 113 -13.056 -2.059 -10.157 1.00 0.00 O ATOM 1732 OE2 GLU A 113 -12.073 -0.074 -10.395 1.00 0.00 O ATOM 0 H GLU A 113 -11.550 0.891 -5.721 1.00 0.00 H new ATOM 0 HA GLU A 113 -14.410 0.604 -6.444 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -11.979 -0.840 -7.408 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -13.410 -1.803 -7.100 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -14.699 -0.663 -8.725 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -13.681 0.762 -8.684 1.00 0.00 H new ATOM 1739 N PRO A 114 -14.834 -1.227 -4.715 1.00 0.00 N ATOM 1740 CA PRO A 114 -15.137 -1.991 -3.518 1.00 0.00 C ATOM 1741 C PRO A 114 -14.420 -3.343 -3.534 1.00 0.00 C ATOM 1742 O PRO A 114 -14.734 -4.206 -4.351 1.00 0.00 O ATOM 1743 CB PRO A 114 -16.651 -2.122 -3.508 1.00 0.00 C ATOM 1744 CG PRO A 114 -17.104 -1.833 -4.930 1.00 0.00 C ATOM 1745 CD PRO A 114 -15.937 -1.202 -5.671 1.00 0.00 C ATOM 0 HA PRO A 114 -14.786 -1.504 -2.608 1.00 0.00 H new ATOM 0 HB2 PRO A 114 -16.954 -3.122 -3.197 1.00 0.00 H new ATOM 0 HB3 PRO A 114 -17.099 -1.420 -2.805 1.00 0.00 H new ATOM 0 HG2 PRO A 114 -17.418 -2.752 -5.425 1.00 0.00 H new ATOM 0 HG3 PRO A 114 -17.963 -1.162 -4.928 1.00 0.00 H new ATOM 0 HD2 PRO A 114 -15.692 -1.762 -6.573 1.00 0.00 H new ATOM 0 HD3 PRO A 114 -16.169 -0.183 -5.981 1.00 0.00 H new ATOM 1753 N ILE A 115 -13.470 -3.483 -2.621 1.00 0.00 N ATOM 1754 CA ILE A 115 -12.706 -4.715 -2.520 1.00 0.00 C ATOM 1755 C ILE A 115 -13.668 -5.900 -2.412 1.00 0.00 C ATOM 1756 O ILE A 115 -14.884 -5.715 -2.372 1.00 0.00 O ATOM 1757 CB ILE A 115 -11.703 -4.631 -1.367 1.00 0.00 C ATOM 1758 CG1 ILE A 115 -12.413 -4.339 -0.043 1.00 0.00 C ATOM 1759 CG2 ILE A 115 -10.607 -3.606 -1.667 1.00 0.00 C ATOM 1760 CD1 ILE A 115 -11.405 -4.188 1.098 1.00 0.00 C ATOM 0 H ILE A 115 -13.212 -2.764 -1.945 1.00 0.00 H new ATOM 0 HA ILE A 115 -12.111 -4.868 -3.420 1.00 0.00 H new ATOM 0 HB ILE A 115 -11.217 -5.602 -1.265 1.00 0.00 H new ATOM 0 HG12 ILE A 115 -13.002 -3.427 -0.136 1.00 0.00 H new ATOM 0 HG13 ILE A 115 -13.109 -5.146 0.186 1.00 0.00 H new ATOM 0 HG21 ILE A 115 -9.908 -3.566 -0.832 1.00 0.00 H new ATOM 0 HG22 ILE A 115 -10.075 -3.897 -2.573 1.00 0.00 H new ATOM 0 HG23 ILE A 115 -11.057 -2.624 -1.811 1.00 0.00 H new ATOM 0 HD11 ILE A 115 -11.936 -3.981 2.027 1.00 0.00 H new ATOM 0 HD12 ILE A 115 -10.834 -5.111 1.204 1.00 0.00 H new ATOM 0 HD13 ILE A 115 -10.726 -3.365 0.877 1.00 0.00 H new ATOM 1772 N ASP A 116 -13.088 -7.090 -2.369 1.00 0.00 N ATOM 1773 CA ASP A 116 -13.879 -8.305 -2.267 1.00 0.00 C ATOM 1774 C ASP A 116 -14.548 -8.358 -0.892 1.00 0.00 C ATOM 1775 O ASP A 116 -14.183 -9.178 -0.051 1.00 0.00 O ATOM 1776 CB ASP A 116 -12.999 -9.548 -2.413 1.00 0.00 C ATOM 1777 CG ASP A 116 -12.018 -9.512 -3.586 1.00 0.00 C ATOM 1778 OD1 ASP A 116 -12.351 -8.838 -4.584 1.00 0.00 O ATOM 1779 OD2 ASP A 116 -10.957 -10.160 -3.458 1.00 0.00 O ATOM 0 H ASP A 116 -12.080 -7.239 -2.403 1.00 0.00 H new ATOM 0 HA ASP A 116 -14.622 -8.293 -3.065 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -12.434 -9.685 -1.491 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -13.644 -10.420 -2.525 1.00 0.00 H new ATOM 1784 N ILE A 117 -15.518 -7.474 -0.707 1.00 0.00 N ATOM 1785 CA ILE A 117 -16.242 -7.410 0.551 1.00 0.00 C ATOM 1786 C ILE A 117 -16.499 -8.830 1.059 1.00 0.00 C ATOM 1787 O ILE A 117 -16.664 -9.756 0.267 1.00 0.00 O ATOM 1788 CB ILE A 117 -17.513 -6.573 0.396 1.00 0.00 C ATOM 1789 CG1 ILE A 117 -17.178 -5.138 -0.018 1.00 0.00 C ATOM 1790 CG2 ILE A 117 -18.360 -6.620 1.669 1.00 0.00 C ATOM 1791 CD1 ILE A 117 -18.371 -4.209 0.211 1.00 0.00 C ATOM 0 H ILE A 117 -15.819 -6.796 -1.407 1.00 0.00 H new ATOM 0 HA ILE A 117 -15.645 -6.903 1.309 1.00 0.00 H new ATOM 0 HB ILE A 117 -18.112 -7.007 -0.405 1.00 0.00 H new ATOM 0 HG12 ILE A 117 -16.320 -4.782 0.553 1.00 0.00 H new ATOM 0 HG13 ILE A 117 -16.892 -5.116 -1.070 1.00 0.00 H new ATOM 0 HG21 ILE A 117 -19.257 -6.017 1.531 1.00 0.00 H new ATOM 0 HG22 ILE A 117 -18.645 -7.651 1.879 1.00 0.00 H new ATOM 0 HG23 ILE A 117 -17.782 -6.226 2.505 1.00 0.00 H new ATOM 0 HD11 ILE A 117 -18.106 -3.196 -0.091 1.00 0.00 H new ATOM 0 HD12 ILE A 117 -19.219 -4.554 -0.380 1.00 0.00 H new ATOM 0 HD13 ILE A 117 -18.639 -4.214 1.268 1.00 0.00 H new ATOM 1803 N ASP A 118 -16.525 -8.957 2.378 1.00 0.00 N ATOM 1804 CA ASP A 118 -16.759 -10.248 3.001 1.00 0.00 C ATOM 1805 C ASP A 118 -17.922 -10.947 2.294 1.00 0.00 C ATOM 1806 O ASP A 118 -17.768 -12.058 1.788 1.00 0.00 O ATOM 1807 CB ASP A 118 -17.130 -10.088 4.477 1.00 0.00 C ATOM 1808 CG ASP A 118 -16.498 -11.117 5.417 1.00 0.00 C ATOM 1809 OD1 ASP A 118 -15.391 -11.589 5.081 1.00 0.00 O ATOM 1810 OD2 ASP A 118 -17.137 -11.407 6.452 1.00 0.00 O ATOM 0 H ASP A 118 -16.388 -8.186 3.032 1.00 0.00 H new ATOM 0 HA ASP A 118 -15.842 -10.832 2.921 1.00 0.00 H new ATOM 0 HB2 ASP A 118 -16.836 -9.091 4.804 1.00 0.00 H new ATOM 0 HB3 ASP A 118 -18.214 -10.148 4.572 1.00 0.00 H new ATOM 1815 N SER A 119 -19.060 -10.268 2.283 1.00 0.00 N ATOM 1816 CA SER A 119 -20.248 -10.811 1.646 1.00 0.00 C ATOM 1817 C SER A 119 -20.540 -10.052 0.350 1.00 0.00 C ATOM 1818 O SER A 119 -21.324 -9.104 0.345 1.00 0.00 O ATOM 1819 CB SER A 119 -21.455 -10.743 2.584 1.00 0.00 C ATOM 1820 OG SER A 119 -22.001 -12.033 2.845 1.00 0.00 O ATOM 0 H SER A 119 -19.184 -9.348 2.705 1.00 0.00 H new ATOM 0 HA SER A 119 -20.062 -11.859 1.412 1.00 0.00 H new ATOM 0 HB2 SER A 119 -21.158 -10.278 3.524 1.00 0.00 H new ATOM 0 HB3 SER A 119 -22.222 -10.107 2.142 1.00 0.00 H new ATOM 0 HG SER A 119 -22.768 -11.947 3.449 1.00 0.00 H new ATOM 1826 N GLY A 120 -19.893 -10.496 -0.717 1.00 0.00 N ATOM 1827 CA GLY A 120 -20.073 -9.871 -2.016 1.00 0.00 C ATOM 1828 C GLY A 120 -19.320 -10.639 -3.104 1.00 0.00 C ATOM 1829 O GLY A 120 -19.009 -11.817 -2.935 1.00 0.00 O ATOM 0 H GLY A 120 -19.243 -11.282 -0.709 1.00 0.00 H new ATOM 0 HA2 GLY A 120 -21.134 -9.833 -2.261 1.00 0.00 H new ATOM 0 HA3 GLY A 120 -19.717 -8.841 -1.980 1.00 0.00 H new ATOM 1833 N PRO A 121 -19.040 -9.922 -4.225 1.00 0.00 N ATOM 1834 CA PRO A 121 -18.329 -10.523 -5.340 1.00 0.00 C ATOM 1835 C PRO A 121 -16.839 -10.674 -5.023 1.00 0.00 C ATOM 1836 O PRO A 121 -16.365 -10.177 -4.003 1.00 0.00 O ATOM 1837 CB PRO A 121 -18.595 -9.602 -6.519 1.00 0.00 C ATOM 1838 CG PRO A 121 -19.054 -8.282 -5.921 1.00 0.00 C ATOM 1839 CD PRO A 121 -19.392 -8.525 -4.460 1.00 0.00 C ATOM 0 HA PRO A 121 -18.668 -11.536 -5.559 1.00 0.00 H new ATOM 0 HB2 PRO A 121 -17.696 -9.467 -7.120 1.00 0.00 H new ATOM 0 HB3 PRO A 121 -19.358 -10.019 -7.176 1.00 0.00 H new ATOM 0 HG2 PRO A 121 -18.271 -7.529 -6.012 1.00 0.00 H new ATOM 0 HG3 PRO A 121 -19.924 -7.903 -6.456 1.00 0.00 H new ATOM 0 HD2 PRO A 121 -18.828 -7.859 -3.807 1.00 0.00 H new ATOM 0 HD3 PRO A 121 -20.449 -8.344 -4.263 1.00 0.00 H new ATOM 1847 N SER A 122 -16.144 -11.362 -5.917 1.00 0.00 N ATOM 1848 CA SER A 122 -14.718 -11.584 -5.745 1.00 0.00 C ATOM 1849 C SER A 122 -13.984 -11.308 -7.058 1.00 0.00 C ATOM 1850 O SER A 122 -14.613 -11.136 -8.101 1.00 0.00 O ATOM 1851 CB SER A 122 -14.437 -13.011 -5.270 1.00 0.00 C ATOM 1852 OG SER A 122 -15.053 -13.287 -4.015 1.00 0.00 O ATOM 0 H SER A 122 -16.541 -11.773 -6.762 1.00 0.00 H new ATOM 0 HA SER A 122 -14.354 -10.897 -4.981 1.00 0.00 H new ATOM 0 HB2 SER A 122 -14.799 -13.719 -6.015 1.00 0.00 H new ATOM 0 HB3 SER A 122 -13.360 -13.160 -5.186 1.00 0.00 H new ATOM 0 HG SER A 122 -14.851 -14.208 -3.747 1.00 0.00 H new ATOM 1858 N SER A 123 -12.662 -11.273 -6.965 1.00 0.00 N ATOM 1859 CA SER A 123 -11.836 -11.020 -8.132 1.00 0.00 C ATOM 1860 C SER A 123 -12.077 -12.101 -9.188 1.00 0.00 C ATOM 1861 O SER A 123 -11.928 -13.290 -8.910 1.00 0.00 O ATOM 1862 CB SER A 123 -10.353 -10.967 -7.757 1.00 0.00 C ATOM 1863 OG SER A 123 -9.916 -9.636 -7.496 1.00 0.00 O ATOM 0 H SER A 123 -12.143 -11.416 -6.098 1.00 0.00 H new ATOM 0 HA SER A 123 -12.114 -10.050 -8.543 1.00 0.00 H new ATOM 0 HB2 SER A 123 -10.179 -11.585 -6.876 1.00 0.00 H new ATOM 0 HB3 SER A 123 -9.759 -11.392 -8.566 1.00 0.00 H new ATOM 0 HG SER A 123 -8.965 -9.644 -7.259 1.00 0.00 H new ATOM 1869 N GLY A 124 -12.446 -11.649 -10.378 1.00 0.00 N ATOM 1870 CA GLY A 124 -12.710 -12.562 -11.477 1.00 0.00 C ATOM 1871 C GLY A 124 -14.051 -12.247 -12.142 1.00 0.00 C ATOM 1872 O GLY A 124 -14.134 -11.361 -12.991 1.00 0.00 O ATOM 0 H GLY A 124 -12.568 -10.662 -10.605 1.00 0.00 H new ATOM 0 HA2 GLY A 124 -11.909 -12.491 -12.213 1.00 0.00 H new ATOM 0 HA3 GLY A 124 -12.715 -13.588 -11.109 1.00 0.00 H new TER 1876 GLY A 124