USER MOD reduce.3.24.130724 H: found=0, std=0, add=939, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 937 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 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 107 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 19 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0217) USER MOD Set 2.2: A 95 TYR OH : rot 113:sc= 0.0833 USER MOD Set 3.1: A 75 THR OG1 : rot 180:sc= -0.213 USER MOD Set 3.2: A 77 HIS : no HD1:sc= 0 X(o=-0.21,f=-0.21) USER MOD Set 4.1: A 2 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) 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 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= 0 K(o=0,f=-1.9) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= -2.85! C(o=-2.9!,f=-4.5!) USER MOD Single : A 15 LYS NZ :NH3+ -121:sc= -0.211! (180deg=-0.449!) USER MOD Single : A 18 MET CE :methyl 164:sc= -0.648 (180deg=-1.03) USER MOD Single : A 27 HIS : no HD1:sc= -0.0919 X(o=-0.092,f=-0.092) USER MOD Single : A 28 GLN : amide:sc= -0.0508 X(o=-0.051,f=0) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 CYS SG : rot 180:sc= -2.87! USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.0171 USER MOD Single : A 40 CYS SG : rot 180:sc= -0.0195 USER MOD Single : A 42 TYR OH : rot -73:sc= 0.317 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 HIS : no HD1:sc= -0.574 X(o=-0.57,f=-0.21) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot -64:sc= 0.623 USER MOD Single : A 54 CYS SG : rot -22:sc= 0.022 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -0.276 K(o=-0.28,f=-0.82) USER MOD Single : A 67 HIS : no HD1:sc= -1.39 K(o=-1.4,f=-2.9) USER MOD Single : A 72 CYS SG : rot -130:sc= -0.352 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 HIS : no HD1:sc= -0.0296 X(o=-0.03,f=-0.0068) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 GLN : amide:sc= -0.0112 X(o=-0.011,f=0) USER MOD Single : A 94 THR OG1 : rot 180:sc= -0.525 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 CYS SG : rot 180:sc= -0.0552 USER MOD Single : A 100 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0489) USER MOD Single : A 102 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 111 ASN : amide:sc= -0.116 X(o=-0.12,f=-0.42) USER MOD Single : A 112 GLN : amide:sc= -14.5! C(o=-15!,f=-11!) USER MOD Single : A 113 ASN : amide:sc= -1.82 X(o=-1.8,f=-1.8) USER MOD Single : A 115 THR OG1 : rot 180:sc= 0 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 125 SER OG : rot 180:sc= 0 USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 22.408 -11.321 8.273 1.00 0.00 N ATOM 2 CA GLY A 1 21.003 -11.658 8.407 1.00 0.00 C ATOM 3 C GLY A 1 20.283 -11.680 7.073 1.00 0.00 C ATOM 4 O GLY A 1 20.385 -10.736 6.289 1.00 0.00 O ATOM 0 H1 GLY A 1 22.856 -11.319 9.212 1.00 0.00 H new ATOM 0 H2 GLY A 1 22.877 -12.024 7.667 1.00 0.00 H new ATOM 0 H3 GLY A 1 22.499 -10.378 7.844 1.00 0.00 H new ATOM 0 HA2 GLY A 1 20.910 -12.634 8.883 1.00 0.00 H new ATOM 0 HA3 GLY A 1 20.520 -10.936 9.065 1.00 0.00 H new ATOM 8 N SER A 2 19.553 -12.760 6.814 1.00 0.00 N ATOM 9 CA SER A 2 18.818 -12.903 5.563 1.00 0.00 C ATOM 10 C SER A 2 17.398 -13.400 5.821 1.00 0.00 C ATOM 11 O SER A 2 17.145 -14.604 5.846 1.00 0.00 O ATOM 12 CB SER A 2 19.546 -13.870 4.626 1.00 0.00 C ATOM 13 OG SER A 2 19.199 -13.628 3.274 1.00 0.00 O ATOM 0 H SER A 2 19.455 -13.548 7.454 1.00 0.00 H new ATOM 0 HA SER A 2 18.762 -11.923 5.090 1.00 0.00 H new ATOM 0 HB2 SER A 2 20.623 -13.763 4.753 1.00 0.00 H new ATOM 0 HB3 SER A 2 19.294 -14.897 4.891 1.00 0.00 H new ATOM 0 HG SER A 2 19.678 -14.257 2.696 1.00 0.00 H new ATOM 19 N SER A 3 16.476 -12.462 6.013 1.00 0.00 N ATOM 20 CA SER A 3 15.082 -12.803 6.273 1.00 0.00 C ATOM 21 C SER A 3 14.318 -13.001 4.968 1.00 0.00 C ATOM 22 O SER A 3 14.577 -12.322 3.975 1.00 0.00 O ATOM 23 CB SER A 3 14.414 -11.708 7.107 1.00 0.00 C ATOM 24 OG SER A 3 14.704 -11.867 8.485 1.00 0.00 O ATOM 0 H SER A 3 16.669 -11.461 5.993 1.00 0.00 H new ATOM 0 HA SER A 3 15.061 -13.739 6.831 1.00 0.00 H new ATOM 0 HB2 SER A 3 14.758 -10.730 6.771 1.00 0.00 H new ATOM 0 HB3 SER A 3 13.335 -11.737 6.954 1.00 0.00 H new ATOM 0 HG SER A 3 14.267 -11.154 8.996 1.00 0.00 H new ATOM 30 N GLY A 4 13.375 -13.939 4.977 1.00 0.00 N ATOM 31 CA GLY A 4 12.587 -14.211 3.789 1.00 0.00 C ATOM 32 C GLY A 4 13.271 -15.187 2.852 1.00 0.00 C ATOM 33 O GLY A 4 13.831 -16.191 3.291 1.00 0.00 O ATOM 0 H GLY A 4 13.143 -14.515 5.786 1.00 0.00 H new ATOM 0 HA2 GLY A 4 11.618 -14.613 4.084 1.00 0.00 H new ATOM 0 HA3 GLY A 4 12.397 -13.277 3.261 1.00 0.00 H new ATOM 37 N SER A 5 13.223 -14.893 1.557 1.00 0.00 N ATOM 38 CA SER A 5 13.837 -15.755 0.554 1.00 0.00 C ATOM 39 C SER A 5 15.211 -15.228 0.152 1.00 0.00 C ATOM 40 O SER A 5 15.390 -14.029 -0.062 1.00 0.00 O ATOM 41 CB SER A 5 12.938 -15.860 -0.679 1.00 0.00 C ATOM 42 OG SER A 5 12.950 -14.654 -1.423 1.00 0.00 O ATOM 0 H SER A 5 12.765 -14.064 1.177 1.00 0.00 H new ATOM 0 HA SER A 5 13.961 -16.746 0.990 1.00 0.00 H new ATOM 0 HB2 SER A 5 13.275 -16.683 -1.309 1.00 0.00 H new ATOM 0 HB3 SER A 5 11.918 -16.091 -0.371 1.00 0.00 H new ATOM 0 HG SER A 5 12.369 -14.747 -2.207 1.00 0.00 H new ATOM 48 N SER A 6 16.180 -16.133 0.052 1.00 0.00 N ATOM 49 CA SER A 6 17.539 -15.760 -0.320 1.00 0.00 C ATOM 50 C SER A 6 17.716 -15.791 -1.835 1.00 0.00 C ATOM 51 O SER A 6 18.034 -14.777 -2.455 1.00 0.00 O ATOM 52 CB SER A 6 18.548 -16.700 0.342 1.00 0.00 C ATOM 53 OG SER A 6 18.408 -16.688 1.752 1.00 0.00 O ATOM 0 H SER A 6 16.048 -17.130 0.224 1.00 0.00 H new ATOM 0 HA SER A 6 17.718 -14.743 0.028 1.00 0.00 H new ATOM 0 HB2 SER A 6 18.405 -17.714 -0.032 1.00 0.00 H new ATOM 0 HB3 SER A 6 19.561 -16.400 0.071 1.00 0.00 H new ATOM 0 HG SER A 6 19.063 -17.298 2.151 1.00 0.00 H new ATOM 59 N GLY A 7 17.506 -16.964 -2.425 1.00 0.00 N ATOM 60 CA GLY A 7 17.646 -17.106 -3.862 1.00 0.00 C ATOM 61 C GLY A 7 16.496 -16.477 -4.623 1.00 0.00 C ATOM 62 O GLY A 7 15.412 -16.258 -4.082 1.00 0.00 O ATOM 0 H GLY A 7 17.242 -17.818 -1.933 1.00 0.00 H new ATOM 0 HA2 GLY A 7 18.582 -16.646 -4.180 1.00 0.00 H new ATOM 0 HA3 GLY A 7 17.709 -18.164 -4.115 1.00 0.00 H new ATOM 66 N PRO A 8 16.727 -16.172 -5.908 1.00 0.00 N ATOM 67 CA PRO A 8 15.714 -15.558 -6.771 1.00 0.00 C ATOM 68 C PRO A 8 14.576 -16.517 -7.102 1.00 0.00 C ATOM 69 O PRO A 8 14.775 -17.730 -7.177 1.00 0.00 O ATOM 70 CB PRO A 8 16.496 -15.200 -8.038 1.00 0.00 C ATOM 71 CG PRO A 8 17.641 -16.153 -8.058 1.00 0.00 C ATOM 72 CD PRO A 8 17.996 -16.404 -6.619 1.00 0.00 C ATOM 0 HA PRO A 8 15.236 -14.703 -6.293 1.00 0.00 H new ATOM 0 HB2 PRO A 8 15.877 -15.306 -8.929 1.00 0.00 H new ATOM 0 HB3 PRO A 8 16.841 -14.167 -8.011 1.00 0.00 H new ATOM 0 HG2 PRO A 8 17.368 -17.081 -8.560 1.00 0.00 H new ATOM 0 HG3 PRO A 8 18.488 -15.734 -8.602 1.00 0.00 H new ATOM 0 HD2 PRO A 8 18.362 -17.419 -6.467 1.00 0.00 H new ATOM 0 HD3 PRO A 8 18.779 -15.728 -6.275 1.00 0.00 H new ATOM 80 N TYR A 9 13.383 -15.967 -7.299 1.00 0.00 N ATOM 81 CA TYR A 9 12.212 -16.774 -7.619 1.00 0.00 C ATOM 82 C TYR A 9 11.077 -15.902 -8.147 1.00 0.00 C ATOM 83 O TYR A 9 11.178 -14.677 -8.165 1.00 0.00 O ATOM 84 CB TYR A 9 11.745 -17.547 -6.384 1.00 0.00 C ATOM 85 CG TYR A 9 11.015 -18.829 -6.712 1.00 0.00 C ATOM 86 CD1 TYR A 9 11.701 -19.944 -7.177 1.00 0.00 C ATOM 87 CD2 TYR A 9 9.637 -18.926 -6.557 1.00 0.00 C ATOM 88 CE1 TYR A 9 11.037 -21.117 -7.479 1.00 0.00 C ATOM 89 CE2 TYR A 9 8.965 -20.096 -6.854 1.00 0.00 C ATOM 90 CZ TYR A 9 9.670 -21.188 -7.316 1.00 0.00 C ATOM 91 OH TYR A 9 9.005 -22.356 -7.614 1.00 0.00 O ATOM 0 H TYR A 9 13.202 -14.965 -7.243 1.00 0.00 H new ATOM 0 HA TYR A 9 12.493 -17.483 -8.398 1.00 0.00 H new ATOM 0 HB2 TYR A 9 12.610 -17.780 -5.763 1.00 0.00 H new ATOM 0 HB3 TYR A 9 11.091 -16.908 -5.792 1.00 0.00 H new ATOM 0 HD1 TYR A 9 12.772 -19.893 -7.305 1.00 0.00 H new ATOM 0 HD2 TYR A 9 9.082 -18.072 -6.198 1.00 0.00 H new ATOM 0 HE1 TYR A 9 11.586 -21.974 -7.841 1.00 0.00 H new ATOM 0 HE2 TYR A 9 7.894 -20.155 -6.725 1.00 0.00 H new ATOM 0 HH TYR A 9 8.047 -22.240 -7.443 1.00 0.00 H new ATOM 101 N ASN A 10 9.995 -16.546 -8.575 1.00 0.00 N ATOM 102 CA ASN A 10 8.839 -15.830 -9.103 1.00 0.00 C ATOM 103 C ASN A 10 8.267 -14.875 -8.060 1.00 0.00 C ATOM 104 O ASN A 10 7.939 -15.280 -6.945 1.00 0.00 O ATOM 105 CB ASN A 10 7.761 -16.820 -9.550 1.00 0.00 C ATOM 106 CG ASN A 10 6.874 -16.254 -10.642 1.00 0.00 C ATOM 107 OD1 ASN A 10 6.471 -15.092 -10.589 1.00 0.00 O ATOM 108 ND2 ASN A 10 6.565 -17.075 -11.638 1.00 0.00 N ATOM 0 H ASN A 10 9.895 -17.561 -8.566 1.00 0.00 H new ATOM 0 HA ASN A 10 9.166 -15.246 -9.963 1.00 0.00 H new ATOM 0 HB2 ASN A 10 8.236 -17.733 -9.908 1.00 0.00 H new ATOM 0 HB3 ASN A 10 7.147 -17.096 -8.693 1.00 0.00 H new ATOM 0 HD21 ASN A 10 5.971 -16.750 -12.401 1.00 0.00 H new ATOM 0 HD22 ASN A 10 6.922 -18.031 -11.641 1.00 0.00 H new ATOM 115 N LYS A 11 8.151 -13.604 -8.430 1.00 0.00 N ATOM 116 CA LYS A 11 7.617 -12.590 -7.529 1.00 0.00 C ATOM 117 C LYS A 11 7.368 -11.280 -8.269 1.00 0.00 C ATOM 118 O LYS A 11 7.903 -11.059 -9.354 1.00 0.00 O ATOM 119 CB LYS A 11 8.582 -12.355 -6.364 1.00 0.00 C ATOM 120 CG LYS A 11 10.021 -12.145 -6.801 1.00 0.00 C ATOM 121 CD LYS A 11 10.308 -10.683 -7.096 1.00 0.00 C ATOM 122 CE LYS A 11 11.723 -10.486 -7.618 1.00 0.00 C ATOM 123 NZ LYS A 11 11.875 -9.189 -8.334 1.00 0.00 N ATOM 0 H LYS A 11 8.420 -13.252 -9.349 1.00 0.00 H new ATOM 0 HA LYS A 11 6.666 -12.952 -7.138 1.00 0.00 H new ATOM 0 HB2 LYS A 11 8.251 -11.483 -5.799 1.00 0.00 H new ATOM 0 HB3 LYS A 11 8.537 -13.209 -5.688 1.00 0.00 H new ATOM 0 HG2 LYS A 11 10.694 -12.498 -6.020 1.00 0.00 H new ATOM 0 HG3 LYS A 11 10.223 -12.743 -7.690 1.00 0.00 H new ATOM 0 HD2 LYS A 11 9.593 -10.312 -7.831 1.00 0.00 H new ATOM 0 HD3 LYS A 11 10.168 -10.094 -6.190 1.00 0.00 H new ATOM 0 HE2 LYS A 11 12.426 -10.526 -6.786 1.00 0.00 H new ATOM 0 HE3 LYS A 11 11.979 -11.304 -8.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 12.853 -9.093 -8.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 11.223 -9.161 -9.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 11.656 -8.406 -7.685 1.00 0.00 H new ATOM 137 N ASN A 12 6.552 -10.415 -7.675 1.00 0.00 N ATOM 138 CA ASN A 12 6.233 -9.127 -8.279 1.00 0.00 C ATOM 139 C ASN A 12 7.284 -8.081 -7.916 1.00 0.00 C ATOM 140 O ASN A 12 7.545 -7.157 -8.684 1.00 0.00 O ATOM 141 CB ASN A 12 4.850 -8.656 -7.824 1.00 0.00 C ATOM 142 CG ASN A 12 4.581 -7.210 -8.196 1.00 0.00 C ATOM 143 OD1 ASN A 12 4.433 -6.351 -7.327 1.00 0.00 O ATOM 144 ND2 ASN A 12 4.516 -6.936 -9.494 1.00 0.00 N ATOM 0 H ASN A 12 6.100 -10.583 -6.776 1.00 0.00 H new ATOM 0 HA ASN A 12 6.229 -9.252 -9.362 1.00 0.00 H new ATOM 0 HB2 ASN A 12 4.087 -9.292 -8.273 1.00 0.00 H new ATOM 0 HB3 ASN A 12 4.767 -8.772 -6.743 1.00 0.00 H new ATOM 0 HD21 ASN A 12 4.337 -5.981 -9.805 1.00 0.00 H new ATOM 0 HD22 ASN A 12 4.645 -7.680 -10.179 1.00 0.00 H new ATOM 151 N GLY A 13 7.883 -8.236 -6.739 1.00 0.00 N ATOM 152 CA GLY A 13 8.898 -7.299 -6.295 1.00 0.00 C ATOM 153 C GLY A 13 8.754 -6.938 -4.830 1.00 0.00 C ATOM 154 O GLY A 13 9.740 -6.643 -4.155 1.00 0.00 O ATOM 0 H GLY A 13 7.683 -8.993 -6.086 1.00 0.00 H new ATOM 0 HA2 GLY A 13 9.885 -7.730 -6.464 1.00 0.00 H new ATOM 0 HA3 GLY A 13 8.839 -6.392 -6.897 1.00 0.00 H new ATOM 158 N PHE A 14 7.521 -6.962 -4.335 1.00 0.00 N ATOM 159 CA PHE A 14 7.250 -6.632 -2.941 1.00 0.00 C ATOM 160 C PHE A 14 8.132 -7.456 -2.007 1.00 0.00 C ATOM 161 O PHE A 14 8.526 -8.575 -2.332 1.00 0.00 O ATOM 162 CB PHE A 14 5.775 -6.876 -2.614 1.00 0.00 C ATOM 163 CG PHE A 14 4.856 -5.826 -3.172 1.00 0.00 C ATOM 164 CD1 PHE A 14 4.429 -5.888 -4.488 1.00 0.00 C ATOM 165 CD2 PHE A 14 4.421 -4.776 -2.379 1.00 0.00 C ATOM 166 CE1 PHE A 14 3.584 -4.924 -5.004 1.00 0.00 C ATOM 167 CE2 PHE A 14 3.575 -3.810 -2.889 1.00 0.00 C ATOM 168 CZ PHE A 14 3.157 -3.883 -4.203 1.00 0.00 C ATOM 0 H PHE A 14 6.693 -7.207 -4.879 1.00 0.00 H new ATOM 0 HA PHE A 14 7.478 -5.577 -2.792 1.00 0.00 H new ATOM 0 HB2 PHE A 14 5.481 -7.850 -3.005 1.00 0.00 H new ATOM 0 HB3 PHE A 14 5.653 -6.917 -1.532 1.00 0.00 H new ATOM 0 HD1 PHE A 14 4.760 -6.700 -5.119 1.00 0.00 H new ATOM 0 HD2 PHE A 14 4.747 -4.712 -1.351 1.00 0.00 H new ATOM 0 HE1 PHE A 14 3.258 -4.984 -6.032 1.00 0.00 H new ATOM 0 HE2 PHE A 14 3.241 -2.998 -2.260 1.00 0.00 H new ATOM 0 HZ PHE A 14 2.497 -3.127 -4.604 1.00 0.00 H new ATOM 178 N LYS A 15 8.438 -6.892 -0.843 1.00 0.00 N ATOM 179 CA LYS A 15 9.272 -7.572 0.141 1.00 0.00 C ATOM 180 C LYS A 15 8.660 -7.474 1.534 1.00 0.00 C ATOM 181 O LYS A 15 8.117 -6.436 1.913 1.00 0.00 O ATOM 182 CB LYS A 15 10.680 -6.972 0.147 1.00 0.00 C ATOM 183 CG LYS A 15 11.300 -6.860 -1.235 1.00 0.00 C ATOM 184 CD LYS A 15 11.981 -8.154 -1.647 1.00 0.00 C ATOM 185 CE LYS A 15 12.205 -8.212 -3.150 1.00 0.00 C ATOM 186 NZ LYS A 15 11.038 -8.804 -3.862 1.00 0.00 N ATOM 0 H LYS A 15 8.121 -5.965 -0.558 1.00 0.00 H new ATOM 0 HA LYS A 15 9.333 -8.624 -0.136 1.00 0.00 H new ATOM 0 HB2 LYS A 15 10.642 -5.981 0.600 1.00 0.00 H new ATOM 0 HB3 LYS A 15 11.325 -7.586 0.776 1.00 0.00 H new ATOM 0 HG2 LYS A 15 10.528 -6.607 -1.962 1.00 0.00 H new ATOM 0 HG3 LYS A 15 12.026 -6.047 -1.244 1.00 0.00 H new ATOM 0 HD2 LYS A 15 12.937 -8.243 -1.132 1.00 0.00 H new ATOM 0 HD3 LYS A 15 11.371 -9.002 -1.336 1.00 0.00 H new ATOM 0 HE2 LYS A 15 12.390 -7.207 -3.529 1.00 0.00 H new ATOM 0 HE3 LYS A 15 13.097 -8.802 -3.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 11.344 -9.647 -4.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 10.309 -9.073 -3.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 10.645 -8.106 -4.525 1.00 0.00 H new ATOM 200 N VAL A 16 8.753 -8.560 2.294 1.00 0.00 N ATOM 201 CA VAL A 16 8.210 -8.596 3.647 1.00 0.00 C ATOM 202 C VAL A 16 8.801 -7.483 4.506 1.00 0.00 C ATOM 203 O VAL A 16 10.018 -7.383 4.659 1.00 0.00 O ATOM 204 CB VAL A 16 8.482 -9.952 4.326 1.00 0.00 C ATOM 205 CG1 VAL A 16 8.035 -9.921 5.779 1.00 0.00 C ATOM 206 CG2 VAL A 16 7.787 -11.074 3.570 1.00 0.00 C ATOM 0 H VAL A 16 9.199 -9.427 1.996 1.00 0.00 H new ATOM 0 HA VAL A 16 7.133 -8.452 3.559 1.00 0.00 H new ATOM 0 HB VAL A 16 9.555 -10.140 4.305 1.00 0.00 H new ATOM 0 HG11 VAL A 16 8.235 -10.887 6.242 1.00 0.00 H new ATOM 0 HG12 VAL A 16 8.582 -9.143 6.312 1.00 0.00 H new ATOM 0 HG13 VAL A 16 6.967 -9.710 5.827 1.00 0.00 H new ATOM 0 HG21 VAL A 16 7.990 -12.025 4.063 1.00 0.00 H new ATOM 0 HG22 VAL A 16 6.712 -10.893 3.558 1.00 0.00 H new ATOM 0 HG23 VAL A 16 8.161 -11.109 2.547 1.00 0.00 H new ATOM 216 N GLY A 17 7.931 -6.648 5.064 1.00 0.00 N ATOM 217 CA GLY A 17 8.385 -5.553 5.901 1.00 0.00 C ATOM 218 C GLY A 17 7.928 -4.202 5.387 1.00 0.00 C ATOM 219 O GLY A 17 7.555 -3.327 6.168 1.00 0.00 O ATOM 0 H GLY A 17 6.919 -6.710 4.951 1.00 0.00 H new ATOM 0 HA2 GLY A 17 8.013 -5.697 6.915 1.00 0.00 H new ATOM 0 HA3 GLY A 17 9.474 -5.568 5.955 1.00 0.00 H new ATOM 223 N MET A 18 7.959 -4.031 4.069 1.00 0.00 N ATOM 224 CA MET A 18 7.545 -2.776 3.452 1.00 0.00 C ATOM 225 C MET A 18 6.051 -2.540 3.649 1.00 0.00 C ATOM 226 O MET A 18 5.221 -3.147 2.970 1.00 0.00 O ATOM 227 CB MET A 18 7.880 -2.782 1.960 1.00 0.00 C ATOM 228 CG MET A 18 9.340 -3.085 1.666 1.00 0.00 C ATOM 229 SD MET A 18 9.922 -2.300 0.150 1.00 0.00 S ATOM 230 CE MET A 18 9.597 -3.592 -1.047 1.00 0.00 C ATOM 0 H MET A 18 8.266 -4.745 3.408 1.00 0.00 H new ATOM 0 HA MET A 18 8.089 -1.965 3.936 1.00 0.00 H new ATOM 0 HB2 MET A 18 7.256 -3.522 1.459 1.00 0.00 H new ATOM 0 HB3 MET A 18 7.626 -1.811 1.535 1.00 0.00 H new ATOM 0 HG2 MET A 18 9.952 -2.749 2.503 1.00 0.00 H new ATOM 0 HG3 MET A 18 9.474 -4.164 1.586 1.00 0.00 H new ATOM 0 HE1 MET A 18 9.631 -3.173 -2.053 1.00 0.00 H new ATOM 0 HE2 MET A 18 10.351 -4.373 -0.953 1.00 0.00 H new ATOM 0 HE3 MET A 18 8.610 -4.017 -0.865 1.00 0.00 H new ATOM 240 N LYS A 19 5.713 -1.656 4.582 1.00 0.00 N ATOM 241 CA LYS A 19 4.319 -1.339 4.867 1.00 0.00 C ATOM 242 C LYS A 19 3.669 -0.630 3.684 1.00 0.00 C ATOM 243 O LYS A 19 4.340 0.059 2.915 1.00 0.00 O ATOM 244 CB LYS A 19 4.220 -0.463 6.118 1.00 0.00 C ATOM 245 CG LYS A 19 4.819 -1.104 7.358 1.00 0.00 C ATOM 246 CD LYS A 19 4.762 -0.167 8.553 1.00 0.00 C ATOM 247 CE LYS A 19 5.799 -0.537 9.602 1.00 0.00 C ATOM 248 NZ LYS A 19 5.601 -1.922 10.112 1.00 0.00 N ATOM 0 H LYS A 19 6.386 -1.146 5.154 1.00 0.00 H new ATOM 0 HA LYS A 19 3.788 -2.275 5.043 1.00 0.00 H new ATOM 0 HB2 LYS A 19 4.725 0.484 5.929 1.00 0.00 H new ATOM 0 HB3 LYS A 19 3.172 -0.233 6.308 1.00 0.00 H new ATOM 0 HG2 LYS A 19 4.281 -2.023 7.589 1.00 0.00 H new ATOM 0 HG3 LYS A 19 5.855 -1.382 7.161 1.00 0.00 H new ATOM 0 HD2 LYS A 19 4.928 0.858 8.221 1.00 0.00 H new ATOM 0 HD3 LYS A 19 3.767 -0.201 8.996 1.00 0.00 H new ATOM 0 HE2 LYS A 19 6.797 -0.447 9.174 1.00 0.00 H new ATOM 0 HE3 LYS A 19 5.743 0.167 10.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 6.250 -2.095 10.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 4.619 -2.036 10.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 5.796 -2.603 9.351 1.00 0.00 H new ATOM 262 N LEU A 20 2.359 -0.800 3.545 1.00 0.00 N ATOM 263 CA LEU A 20 1.617 -0.175 2.456 1.00 0.00 C ATOM 264 C LEU A 20 0.127 -0.111 2.778 1.00 0.00 C ATOM 265 O LEU A 20 -0.354 -0.805 3.672 1.00 0.00 O ATOM 266 CB LEU A 20 1.837 -0.946 1.154 1.00 0.00 C ATOM 267 CG LEU A 20 1.007 -2.219 0.979 1.00 0.00 C ATOM 268 CD1 LEU A 20 0.725 -2.475 -0.493 1.00 0.00 C ATOM 269 CD2 LEU A 20 1.719 -3.410 1.603 1.00 0.00 C ATOM 0 H LEU A 20 1.788 -1.366 4.173 1.00 0.00 H new ATOM 0 HA LEU A 20 1.987 0.843 2.335 1.00 0.00 H new ATOM 0 HB2 LEU A 20 1.622 -0.279 0.319 1.00 0.00 H new ATOM 0 HB3 LEU A 20 2.892 -1.212 1.086 1.00 0.00 H new ATOM 0 HG LEU A 20 0.055 -2.082 1.491 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.134 -3.385 -0.597 1.00 0.00 H new ATOM 0 HD12 LEU A 20 0.172 -1.633 -0.909 1.00 0.00 H new ATOM 0 HD13 LEU A 20 1.667 -2.591 -1.029 1.00 0.00 H new ATOM 0 HD21 LEU A 20 1.114 -4.307 1.469 1.00 0.00 H new ATOM 0 HD22 LEU A 20 2.686 -3.549 1.120 1.00 0.00 H new ATOM 0 HD23 LEU A 20 1.868 -3.228 2.667 1.00 0.00 H new ATOM 281 N GLU A 21 -0.597 0.725 2.040 1.00 0.00 N ATOM 282 CA GLU A 21 -2.033 0.877 2.247 1.00 0.00 C ATOM 283 C GLU A 21 -2.818 0.185 1.137 1.00 0.00 C ATOM 284 O GLU A 21 -2.519 0.348 -0.045 1.00 0.00 O ATOM 285 CB GLU A 21 -2.408 2.359 2.304 1.00 0.00 C ATOM 286 CG GLU A 21 -1.839 3.084 3.513 1.00 0.00 C ATOM 287 CD GLU A 21 -0.440 3.616 3.269 1.00 0.00 C ATOM 288 OE1 GLU A 21 0.508 2.804 3.243 1.00 0.00 O ATOM 289 OE2 GLU A 21 -0.294 4.846 3.104 1.00 0.00 O ATOM 0 H GLU A 21 -0.214 1.306 1.295 1.00 0.00 H new ATOM 0 HA GLU A 21 -2.289 0.408 3.197 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -2.055 2.850 1.397 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -3.494 2.450 2.314 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -2.497 3.911 3.779 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -1.822 2.404 4.365 1.00 0.00 H new ATOM 296 N GLY A 22 -3.826 -0.589 1.527 1.00 0.00 N ATOM 297 CA GLY A 22 -4.639 -1.295 0.554 1.00 0.00 C ATOM 298 C GLY A 22 -6.110 -1.302 0.923 1.00 0.00 C ATOM 299 O GLY A 22 -6.481 -0.917 2.032 1.00 0.00 O ATOM 0 H GLY A 22 -4.094 -0.740 2.499 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -4.515 -0.830 -0.424 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -4.285 -2.322 0.466 1.00 0.00 H new ATOM 303 N VAL A 23 -6.950 -1.740 -0.009 1.00 0.00 N ATOM 304 CA VAL A 23 -8.389 -1.794 0.223 1.00 0.00 C ATOM 305 C VAL A 23 -8.798 -3.136 0.820 1.00 0.00 C ATOM 306 O VAL A 23 -8.211 -4.172 0.506 1.00 0.00 O ATOM 307 CB VAL A 23 -9.177 -1.562 -1.080 1.00 0.00 C ATOM 308 CG1 VAL A 23 -10.612 -2.043 -0.928 1.00 0.00 C ATOM 309 CG2 VAL A 23 -9.136 -0.093 -1.472 1.00 0.00 C ATOM 0 H VAL A 23 -6.659 -2.063 -0.932 1.00 0.00 H new ATOM 0 HA VAL A 23 -8.627 -0.998 0.928 1.00 0.00 H new ATOM 0 HB VAL A 23 -8.708 -2.140 -1.877 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -11.154 -1.871 -1.858 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -10.616 -3.108 -0.697 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -11.096 -1.495 -0.120 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -9.698 0.053 -2.395 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -9.580 0.508 -0.678 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -8.101 0.214 -1.624 1.00 0.00 H new ATOM 319 N ASP A 24 -9.809 -3.110 1.681 1.00 0.00 N ATOM 320 CA ASP A 24 -10.300 -4.325 2.321 1.00 0.00 C ATOM 321 C ASP A 24 -11.402 -4.972 1.488 1.00 0.00 C ATOM 322 O ASP A 24 -12.264 -4.298 0.925 1.00 0.00 O ATOM 323 CB ASP A 24 -10.821 -4.013 3.725 1.00 0.00 C ATOM 324 CG ASP A 24 -10.995 -5.260 4.569 1.00 0.00 C ATOM 325 OD1 ASP A 24 -11.939 -6.031 4.300 1.00 0.00 O ATOM 326 OD2 ASP A 24 -10.187 -5.464 5.499 1.00 0.00 O ATOM 0 H ASP A 24 -10.305 -2.261 1.952 1.00 0.00 H new ATOM 0 HA ASP A 24 -9.469 -5.026 2.398 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -10.129 -3.334 4.223 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -11.776 -3.494 3.648 1.00 0.00 H new ATOM 331 N PRO A 25 -11.373 -6.310 1.406 1.00 0.00 N ATOM 332 CA PRO A 25 -12.362 -7.077 0.643 1.00 0.00 C ATOM 333 C PRO A 25 -13.743 -7.049 1.289 1.00 0.00 C ATOM 334 O PRO A 25 -14.680 -7.677 0.800 1.00 0.00 O ATOM 335 CB PRO A 25 -11.795 -8.499 0.655 1.00 0.00 C ATOM 336 CG PRO A 25 -10.947 -8.557 1.879 1.00 0.00 C ATOM 337 CD PRO A 25 -10.374 -7.178 2.051 1.00 0.00 C ATOM 0 HA PRO A 25 -12.509 -6.670 -0.358 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -12.591 -9.243 0.689 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -11.210 -8.700 -0.242 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -11.537 -8.846 2.749 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -10.155 -9.298 1.770 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -10.242 -6.926 3.103 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -9.397 -7.087 1.577 1.00 0.00 H new ATOM 345 N GLU A 26 -13.860 -6.315 2.392 1.00 0.00 N ATOM 346 CA GLU A 26 -15.127 -6.205 3.105 1.00 0.00 C ATOM 347 C GLU A 26 -15.900 -4.969 2.655 1.00 0.00 C ATOM 348 O GLU A 26 -17.129 -4.984 2.579 1.00 0.00 O ATOM 349 CB GLU A 26 -14.885 -6.147 4.614 1.00 0.00 C ATOM 350 CG GLU A 26 -14.240 -7.404 5.176 1.00 0.00 C ATOM 351 CD GLU A 26 -15.258 -8.462 5.554 1.00 0.00 C ATOM 352 OE1 GLU A 26 -16.158 -8.738 4.734 1.00 0.00 O ATOM 353 OE2 GLU A 26 -15.154 -9.015 6.669 1.00 0.00 O ATOM 0 H GLU A 26 -13.093 -5.788 2.810 1.00 0.00 H new ATOM 0 HA GLU A 26 -15.722 -7.088 2.873 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -14.249 -5.291 4.839 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -15.836 -5.979 5.120 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -13.551 -7.815 4.438 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -13.649 -7.143 6.054 1.00 0.00 H new ATOM 360 N HIS A 27 -15.170 -3.898 2.358 1.00 0.00 N ATOM 361 CA HIS A 27 -15.786 -2.652 1.915 1.00 0.00 C ATOM 362 C HIS A 27 -14.838 -1.868 1.013 1.00 0.00 C ATOM 363 O HIS A 27 -13.793 -1.394 1.458 1.00 0.00 O ATOM 364 CB HIS A 27 -16.183 -1.799 3.120 1.00 0.00 C ATOM 365 CG HIS A 27 -17.476 -2.218 3.751 1.00 0.00 C ATOM 366 ND1 HIS A 27 -17.575 -2.626 5.064 1.00 0.00 N ATOM 367 CD2 HIS A 27 -18.727 -2.289 3.241 1.00 0.00 C ATOM 368 CE1 HIS A 27 -18.831 -2.932 5.334 1.00 0.00 C ATOM 369 NE2 HIS A 27 -19.551 -2.735 4.245 1.00 0.00 N ATOM 0 H HIS A 27 -14.152 -3.868 2.416 1.00 0.00 H new ATOM 0 HA HIS A 27 -16.681 -2.900 1.344 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -15.391 -1.849 3.867 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -16.261 -0.758 2.808 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -19.023 -2.041 2.232 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -19.205 -3.284 6.284 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -20.556 -2.889 4.163 1.00 0.00 H new ATOM 378 N GLN A 28 -15.210 -1.738 -0.257 1.00 0.00 N ATOM 379 CA GLN A 28 -14.392 -1.013 -1.221 1.00 0.00 C ATOM 380 C GLN A 28 -14.301 0.465 -0.857 1.00 0.00 C ATOM 381 O GLN A 28 -15.048 0.953 -0.008 1.00 0.00 O ATOM 382 CB GLN A 28 -14.968 -1.168 -2.630 1.00 0.00 C ATOM 383 CG GLN A 28 -14.827 -2.573 -3.193 1.00 0.00 C ATOM 384 CD GLN A 28 -13.527 -2.771 -3.947 1.00 0.00 C ATOM 385 OE1 GLN A 28 -13.356 -2.265 -5.057 1.00 0.00 O ATOM 386 NE2 GLN A 28 -12.601 -3.510 -3.348 1.00 0.00 N ATOM 0 H GLN A 28 -16.072 -2.125 -0.641 1.00 0.00 H new ATOM 0 HA GLN A 28 -13.388 -1.437 -1.197 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -16.023 -0.896 -2.614 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -14.468 -0.466 -3.297 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -14.883 -3.294 -2.378 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -15.664 -2.779 -3.860 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -12.784 -3.910 -2.428 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -11.706 -3.677 -3.808 1.00 0.00 H new ATOM 395 N SER A 29 -13.381 1.174 -1.503 1.00 0.00 N ATOM 396 CA SER A 29 -13.189 2.596 -1.243 1.00 0.00 C ATOM 397 C SER A 29 -12.721 2.828 0.190 1.00 0.00 C ATOM 398 O SER A 29 -13.011 3.863 0.791 1.00 0.00 O ATOM 399 CB SER A 29 -14.489 3.362 -1.497 1.00 0.00 C ATOM 400 OG SER A 29 -14.896 3.241 -2.849 1.00 0.00 O ATOM 0 H SER A 29 -12.757 0.787 -2.211 1.00 0.00 H new ATOM 0 HA SER A 29 -12.420 2.964 -1.922 1.00 0.00 H new ATOM 0 HB2 SER A 29 -15.273 2.981 -0.842 1.00 0.00 H new ATOM 0 HB3 SER A 29 -14.349 4.414 -1.249 1.00 0.00 H new ATOM 0 HG SER A 29 -15.730 3.738 -2.985 1.00 0.00 H new ATOM 406 N VAL A 30 -11.993 1.857 0.733 1.00 0.00 N ATOM 407 CA VAL A 30 -11.483 1.954 2.096 1.00 0.00 C ATOM 408 C VAL A 30 -9.996 1.622 2.150 1.00 0.00 C ATOM 409 O VAL A 30 -9.613 0.458 2.264 1.00 0.00 O ATOM 410 CB VAL A 30 -12.243 1.013 3.049 1.00 0.00 C ATOM 411 CG1 VAL A 30 -11.661 1.090 4.452 1.00 0.00 C ATOM 412 CG2 VAL A 30 -13.727 1.351 3.059 1.00 0.00 C ATOM 0 H VAL A 30 -11.743 0.994 0.250 1.00 0.00 H new ATOM 0 HA VAL A 30 -11.635 2.984 2.418 1.00 0.00 H new ATOM 0 HB VAL A 30 -12.129 -0.010 2.690 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -12.211 0.418 5.111 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -10.612 0.796 4.427 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -11.743 2.111 4.824 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -14.249 0.676 3.738 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -13.864 2.379 3.393 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -14.132 1.239 2.053 1.00 0.00 H new ATOM 422 N TYR A 31 -9.162 2.653 2.069 1.00 0.00 N ATOM 423 CA TYR A 31 -7.716 2.471 2.107 1.00 0.00 C ATOM 424 C TYR A 31 -7.219 2.359 3.545 1.00 0.00 C ATOM 425 O TYR A 31 -7.120 3.358 4.259 1.00 0.00 O ATOM 426 CB TYR A 31 -7.016 3.634 1.403 1.00 0.00 C ATOM 427 CG TYR A 31 -7.419 3.797 -0.045 1.00 0.00 C ATOM 428 CD1 TYR A 31 -7.354 2.727 -0.929 1.00 0.00 C ATOM 429 CD2 TYR A 31 -7.867 5.020 -0.529 1.00 0.00 C ATOM 430 CE1 TYR A 31 -7.720 2.872 -2.253 1.00 0.00 C ATOM 431 CE2 TYR A 31 -8.237 5.173 -1.851 1.00 0.00 C ATOM 432 CZ TYR A 31 -8.162 4.096 -2.709 1.00 0.00 C ATOM 433 OH TYR A 31 -8.529 4.244 -4.027 1.00 0.00 O ATOM 0 H TYR A 31 -9.463 3.623 1.977 1.00 0.00 H new ATOM 0 HA TYR A 31 -7.478 1.544 1.586 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -7.236 4.557 1.939 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -5.938 3.484 1.456 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -7.012 1.766 -0.575 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -7.927 5.866 0.140 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -7.660 2.031 -2.928 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -8.583 6.131 -2.211 1.00 0.00 H new ATOM 0 HH TYR A 31 -8.817 5.167 -4.185 1.00 0.00 H new ATOM 443 N CYS A 32 -6.907 1.137 3.963 1.00 0.00 N ATOM 444 CA CYS A 32 -6.420 0.892 5.316 1.00 0.00 C ATOM 445 C CYS A 32 -4.939 0.530 5.303 1.00 0.00 C ATOM 446 O CYS A 32 -4.398 0.120 4.275 1.00 0.00 O ATOM 447 CB CYS A 32 -7.226 -0.228 5.975 1.00 0.00 C ATOM 448 SG CYS A 32 -9.000 0.103 6.080 1.00 0.00 S ATOM 0 H CYS A 32 -6.983 0.300 3.384 1.00 0.00 H new ATOM 0 HA CYS A 32 -6.546 1.808 5.893 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -7.072 -1.150 5.415 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -6.839 -0.397 6.980 1.00 0.00 H new ATOM 0 HG CYS A 32 -9.596 -0.902 6.650 1.00 0.00 H new ATOM 454 N VAL A 33 -4.287 0.685 6.451 1.00 0.00 N ATOM 455 CA VAL A 33 -2.867 0.374 6.572 1.00 0.00 C ATOM 456 C VAL A 33 -2.636 -1.132 6.614 1.00 0.00 C ATOM 457 O VAL A 33 -3.360 -1.864 7.290 1.00 0.00 O ATOM 458 CB VAL A 33 -2.259 1.012 7.835 1.00 0.00 C ATOM 459 CG1 VAL A 33 -3.099 0.678 9.059 1.00 0.00 C ATOM 460 CG2 VAL A 33 -0.821 0.553 8.024 1.00 0.00 C ATOM 0 H VAL A 33 -4.719 1.024 7.310 1.00 0.00 H new ATOM 0 HA VAL A 33 -2.375 0.789 5.692 1.00 0.00 H new ATOM 0 HB VAL A 33 -2.257 2.095 7.709 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -2.654 1.137 9.942 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -4.110 1.061 8.922 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -3.135 -0.403 9.192 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -0.407 1.013 8.921 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.796 -0.532 8.128 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -0.228 0.848 7.158 1.00 0.00 H new ATOM 470 N LEU A 34 -1.622 -1.589 5.888 1.00 0.00 N ATOM 471 CA LEU A 34 -1.293 -3.010 5.842 1.00 0.00 C ATOM 472 C LEU A 34 0.216 -3.218 5.771 1.00 0.00 C ATOM 473 O LEU A 34 0.969 -2.290 5.473 1.00 0.00 O ATOM 474 CB LEU A 34 -1.967 -3.671 4.639 1.00 0.00 C ATOM 475 CG LEU A 34 -3.478 -3.468 4.521 1.00 0.00 C ATOM 476 CD1 LEU A 34 -3.909 -3.497 3.062 1.00 0.00 C ATOM 477 CD2 LEU A 34 -4.223 -4.528 5.320 1.00 0.00 C ATOM 0 H LEU A 34 -1.013 -0.997 5.323 1.00 0.00 H new ATOM 0 HA LEU A 34 -1.662 -3.473 6.757 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.498 -3.292 3.731 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.766 -4.742 4.678 1.00 0.00 H new ATOM 0 HG LEU A 34 -3.727 -2.490 4.933 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -4.987 -3.351 2.998 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -3.402 -2.701 2.517 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -3.647 -4.460 2.624 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -5.297 -4.368 5.224 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -3.968 -5.517 4.939 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -3.938 -4.459 6.370 1.00 0.00 H new ATOM 489 N THR A 35 0.654 -4.443 6.045 1.00 0.00 N ATOM 490 CA THR A 35 2.073 -4.773 6.012 1.00 0.00 C ATOM 491 C THR A 35 2.308 -6.117 5.332 1.00 0.00 C ATOM 492 O THR A 35 1.683 -7.119 5.680 1.00 0.00 O ATOM 493 CB THR A 35 2.673 -4.816 7.429 1.00 0.00 C ATOM 494 OG1 THR A 35 2.377 -3.599 8.124 1.00 0.00 O ATOM 495 CG2 THR A 35 4.180 -5.020 7.373 1.00 0.00 C ATOM 0 H THR A 35 0.045 -5.223 6.292 1.00 0.00 H new ATOM 0 HA THR A 35 2.567 -3.987 5.440 1.00 0.00 H new ATOM 0 HB THR A 35 2.228 -5.656 7.962 1.00 0.00 H new ATOM 0 HG1 THR A 35 2.761 -3.635 9.025 1.00 0.00 H new ATOM 0 HG21 THR A 35 4.581 -5.047 8.386 1.00 0.00 H new ATOM 0 HG22 THR A 35 4.401 -5.961 6.870 1.00 0.00 H new ATOM 0 HG23 THR A 35 4.638 -4.198 6.823 1.00 0.00 H new ATOM 503 N VAL A 36 3.215 -6.133 4.360 1.00 0.00 N ATOM 504 CA VAL A 36 3.535 -7.355 3.632 1.00 0.00 C ATOM 505 C VAL A 36 4.082 -8.426 4.569 1.00 0.00 C ATOM 506 O VAL A 36 5.176 -8.288 5.114 1.00 0.00 O ATOM 507 CB VAL A 36 4.564 -7.090 2.516 1.00 0.00 C ATOM 508 CG1 VAL A 36 4.831 -8.361 1.725 1.00 0.00 C ATOM 509 CG2 VAL A 36 4.083 -5.974 1.602 1.00 0.00 C ATOM 0 H VAL A 36 3.741 -5.313 4.059 1.00 0.00 H new ATOM 0 HA VAL A 36 2.607 -7.709 3.184 1.00 0.00 H new ATOM 0 HB VAL A 36 5.500 -6.773 2.976 1.00 0.00 H new ATOM 0 HG11 VAL A 36 5.560 -8.155 0.941 1.00 0.00 H new ATOM 0 HG12 VAL A 36 5.222 -9.129 2.392 1.00 0.00 H new ATOM 0 HG13 VAL A 36 3.902 -8.711 1.274 1.00 0.00 H new ATOM 0 HG21 VAL A 36 4.822 -5.800 0.820 1.00 0.00 H new ATOM 0 HG22 VAL A 36 3.134 -6.259 1.148 1.00 0.00 H new ATOM 0 HG23 VAL A 36 3.948 -5.061 2.182 1.00 0.00 H new ATOM 519 N ALA A 37 3.312 -9.493 4.751 1.00 0.00 N ATOM 520 CA ALA A 37 3.720 -10.590 5.621 1.00 0.00 C ATOM 521 C ALA A 37 4.349 -11.723 4.817 1.00 0.00 C ATOM 522 O ALA A 37 5.229 -12.429 5.308 1.00 0.00 O ATOM 523 CB ALA A 37 2.529 -11.103 6.417 1.00 0.00 C ATOM 0 H ALA A 37 2.402 -9.622 4.308 1.00 0.00 H new ATOM 0 HA ALA A 37 4.471 -10.211 6.315 1.00 0.00 H new ATOM 0 HB1 ALA A 37 2.848 -11.922 7.062 1.00 0.00 H new ATOM 0 HB2 ALA A 37 2.125 -10.296 7.028 1.00 0.00 H new ATOM 0 HB3 ALA A 37 1.760 -11.460 5.732 1.00 0.00 H new ATOM 529 N GLU A 38 3.892 -11.890 3.580 1.00 0.00 N ATOM 530 CA GLU A 38 4.410 -12.939 2.710 1.00 0.00 C ATOM 531 C GLU A 38 4.214 -12.574 1.242 1.00 0.00 C ATOM 532 O GLU A 38 3.430 -11.684 0.911 1.00 0.00 O ATOM 533 CB GLU A 38 3.720 -14.271 3.012 1.00 0.00 C ATOM 534 CG GLU A 38 4.580 -15.485 2.708 1.00 0.00 C ATOM 535 CD GLU A 38 5.978 -15.370 3.286 1.00 0.00 C ATOM 536 OE1 GLU A 38 6.135 -15.584 4.506 1.00 0.00 O ATOM 537 OE2 GLU A 38 6.914 -15.065 2.518 1.00 0.00 O ATOM 0 H GLU A 38 3.165 -11.313 3.158 1.00 0.00 H new ATOM 0 HA GLU A 38 5.478 -13.040 2.902 1.00 0.00 H new ATOM 0 HB2 GLU A 38 3.435 -14.292 4.064 1.00 0.00 H new ATOM 0 HB3 GLU A 38 2.800 -14.334 2.431 1.00 0.00 H new ATOM 0 HG2 GLU A 38 4.098 -16.377 3.108 1.00 0.00 H new ATOM 0 HG3 GLU A 38 4.647 -15.617 1.628 1.00 0.00 H new ATOM 544 N VAL A 39 4.933 -13.267 0.364 1.00 0.00 N ATOM 545 CA VAL A 39 4.839 -13.017 -1.069 1.00 0.00 C ATOM 546 C VAL A 39 5.081 -14.294 -1.866 1.00 0.00 C ATOM 547 O VAL A 39 6.148 -14.902 -1.775 1.00 0.00 O ATOM 548 CB VAL A 39 5.848 -11.944 -1.519 1.00 0.00 C ATOM 549 CG1 VAL A 39 5.747 -11.712 -3.019 1.00 0.00 C ATOM 550 CG2 VAL A 39 5.623 -10.648 -0.755 1.00 0.00 C ATOM 0 H VAL A 39 5.587 -14.006 0.621 1.00 0.00 H new ATOM 0 HA VAL A 39 3.828 -12.658 -1.262 1.00 0.00 H new ATOM 0 HB VAL A 39 6.854 -12.300 -1.297 1.00 0.00 H new ATOM 0 HG11 VAL A 39 6.467 -10.951 -3.319 1.00 0.00 H new ATOM 0 HG12 VAL A 39 5.961 -12.642 -3.546 1.00 0.00 H new ATOM 0 HG13 VAL A 39 4.740 -11.377 -3.268 1.00 0.00 H new ATOM 0 HG21 VAL A 39 6.345 -9.901 -1.085 1.00 0.00 H new ATOM 0 HG22 VAL A 39 4.613 -10.285 -0.944 1.00 0.00 H new ATOM 0 HG23 VAL A 39 5.750 -10.828 0.312 1.00 0.00 H new ATOM 560 N CYS A 40 4.085 -14.694 -2.649 1.00 0.00 N ATOM 561 CA CYS A 40 4.190 -15.899 -3.463 1.00 0.00 C ATOM 562 C CYS A 40 2.963 -16.061 -4.355 1.00 0.00 C ATOM 563 O CYS A 40 1.935 -15.422 -4.136 1.00 0.00 O ATOM 564 CB CYS A 40 4.353 -17.130 -2.571 1.00 0.00 C ATOM 565 SG CYS A 40 5.164 -18.528 -3.382 1.00 0.00 S ATOM 0 H CYS A 40 3.196 -14.201 -2.737 1.00 0.00 H new ATOM 0 HA CYS A 40 5.070 -15.802 -4.100 1.00 0.00 H new ATOM 0 HB2 CYS A 40 4.929 -16.852 -1.688 1.00 0.00 H new ATOM 0 HB3 CYS A 40 3.370 -17.446 -2.223 1.00 0.00 H new ATOM 0 HG CYS A 40 5.258 -19.520 -2.547 1.00 0.00 H new ATOM 571 N GLY A 41 3.080 -16.920 -5.363 1.00 0.00 N ATOM 572 CA GLY A 41 1.974 -17.149 -6.274 1.00 0.00 C ATOM 573 C GLY A 41 1.422 -15.861 -6.853 1.00 0.00 C ATOM 574 O GLY A 41 0.231 -15.575 -6.726 1.00 0.00 O ATOM 0 H GLY A 41 3.921 -17.461 -5.565 1.00 0.00 H new ATOM 0 HA2 GLY A 41 2.305 -17.796 -7.086 1.00 0.00 H new ATOM 0 HA3 GLY A 41 1.179 -17.678 -5.749 1.00 0.00 H new ATOM 578 N TYR A 42 2.290 -15.080 -7.487 1.00 0.00 N ATOM 579 CA TYR A 42 1.884 -13.813 -8.083 1.00 0.00 C ATOM 580 C TYR A 42 0.900 -13.076 -7.179 1.00 0.00 C ATOM 581 O TYR A 42 0.073 -12.295 -7.650 1.00 0.00 O ATOM 582 CB TYR A 42 1.253 -14.050 -9.456 1.00 0.00 C ATOM 583 CG TYR A 42 0.744 -12.788 -10.115 1.00 0.00 C ATOM 584 CD1 TYR A 42 1.542 -11.653 -10.196 1.00 0.00 C ATOM 585 CD2 TYR A 42 -0.535 -12.729 -10.655 1.00 0.00 C ATOM 586 CE1 TYR A 42 1.081 -10.497 -10.797 1.00 0.00 C ATOM 587 CE2 TYR A 42 -1.004 -11.578 -11.258 1.00 0.00 C ATOM 588 CZ TYR A 42 -0.192 -10.465 -11.326 1.00 0.00 C ATOM 589 OH TYR A 42 -0.656 -9.316 -11.925 1.00 0.00 O ATOM 0 H TYR A 42 3.279 -15.302 -7.601 1.00 0.00 H new ATOM 0 HA TYR A 42 2.774 -13.195 -8.201 1.00 0.00 H new ATOM 0 HB2 TYR A 42 1.989 -14.519 -10.109 1.00 0.00 H new ATOM 0 HB3 TYR A 42 0.427 -14.753 -9.350 1.00 0.00 H new ATOM 0 HD1 TYR A 42 2.539 -11.675 -9.782 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -1.174 -13.598 -10.602 1.00 0.00 H new ATOM 0 HE1 TYR A 42 1.714 -9.624 -10.852 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -2.000 -11.550 -11.674 1.00 0.00 H new ATOM 0 HH TYR A 42 -0.842 -8.642 -11.239 1.00 0.00 H new ATOM 599 N ARG A 43 0.997 -13.331 -5.879 1.00 0.00 N ATOM 600 CA ARG A 43 0.116 -12.693 -4.907 1.00 0.00 C ATOM 601 C ARG A 43 0.873 -12.356 -3.626 1.00 0.00 C ATOM 602 O ARG A 43 1.723 -13.125 -3.175 1.00 0.00 O ATOM 603 CB ARG A 43 -1.070 -13.604 -4.587 1.00 0.00 C ATOM 604 CG ARG A 43 -2.188 -13.532 -5.614 1.00 0.00 C ATOM 605 CD ARG A 43 -3.265 -14.569 -5.339 1.00 0.00 C ATOM 606 NE ARG A 43 -2.900 -15.887 -5.852 1.00 0.00 N ATOM 607 CZ ARG A 43 -3.706 -16.942 -5.807 1.00 0.00 C ATOM 608 NH1 ARG A 43 -4.916 -16.835 -5.276 1.00 0.00 N ATOM 609 NH2 ARG A 43 -3.301 -18.108 -6.295 1.00 0.00 N ATOM 0 H ARG A 43 1.676 -13.975 -5.474 1.00 0.00 H new ATOM 0 HA ARG A 43 -0.255 -11.766 -5.344 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -0.718 -14.633 -4.517 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -1.469 -13.336 -3.609 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -2.630 -12.536 -5.603 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -1.778 -13.688 -6.612 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -3.440 -14.634 -4.265 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -4.201 -14.249 -5.796 1.00 0.00 H new ATOM 0 HE ARG A 43 -1.976 -16.004 -6.267 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -5.231 -15.940 -4.900 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -5.532 -17.647 -5.243 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -2.371 -18.194 -6.705 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -3.920 -18.918 -6.260 1.00 0.00 H new ATOM 623 N ILE A 44 0.559 -11.203 -3.046 1.00 0.00 N ATOM 624 CA ILE A 44 1.209 -10.765 -1.816 1.00 0.00 C ATOM 625 C ILE A 44 0.237 -10.788 -0.642 1.00 0.00 C ATOM 626 O ILE A 44 -0.935 -10.437 -0.784 1.00 0.00 O ATOM 627 CB ILE A 44 1.788 -9.345 -1.961 1.00 0.00 C ATOM 628 CG1 ILE A 44 0.677 -8.349 -2.297 1.00 0.00 C ATOM 629 CG2 ILE A 44 2.870 -9.321 -3.030 1.00 0.00 C ATOM 630 CD1 ILE A 44 1.083 -6.904 -2.110 1.00 0.00 C ATOM 0 H ILE A 44 -0.141 -10.555 -3.407 1.00 0.00 H new ATOM 0 HA ILE A 44 2.024 -11.463 -1.623 1.00 0.00 H new ATOM 0 HB ILE A 44 2.236 -9.053 -1.011 1.00 0.00 H new ATOM 0 HG12 ILE A 44 0.366 -8.499 -3.331 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -0.189 -8.558 -1.670 1.00 0.00 H new ATOM 0 HG21 ILE A 44 3.269 -8.311 -3.121 1.00 0.00 H new ATOM 0 HG22 ILE A 44 3.672 -10.005 -2.751 1.00 0.00 H new ATOM 0 HG23 ILE A 44 2.445 -9.630 -3.985 1.00 0.00 H new ATOM 0 HD11 ILE A 44 0.246 -6.255 -2.367 1.00 0.00 H new ATOM 0 HD12 ILE A 44 1.366 -6.737 -1.071 1.00 0.00 H new ATOM 0 HD13 ILE A 44 1.930 -6.677 -2.758 1.00 0.00 H new ATOM 642 N LYS A 45 0.730 -11.203 0.520 1.00 0.00 N ATOM 643 CA LYS A 45 -0.093 -11.270 1.721 1.00 0.00 C ATOM 644 C LYS A 45 -0.304 -9.880 2.314 1.00 0.00 C ATOM 645 O LYS A 45 0.642 -9.103 2.451 1.00 0.00 O ATOM 646 CB LYS A 45 0.558 -12.186 2.760 1.00 0.00 C ATOM 647 CG LYS A 45 -0.438 -12.850 3.694 1.00 0.00 C ATOM 648 CD LYS A 45 0.201 -13.989 4.472 1.00 0.00 C ATOM 649 CE LYS A 45 -0.772 -14.597 5.470 1.00 0.00 C ATOM 650 NZ LYS A 45 -0.325 -15.940 5.934 1.00 0.00 N ATOM 0 H LYS A 45 1.697 -11.498 0.655 1.00 0.00 H new ATOM 0 HA LYS A 45 -1.065 -11.679 1.443 1.00 0.00 H new ATOM 0 HB2 LYS A 45 1.130 -12.957 2.244 1.00 0.00 H new ATOM 0 HB3 LYS A 45 1.266 -11.605 3.351 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -0.835 -12.111 4.390 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -1.281 -13.230 3.117 1.00 0.00 H new ATOM 0 HD2 LYS A 45 0.541 -14.758 3.779 1.00 0.00 H new ATOM 0 HD3 LYS A 45 1.082 -13.622 4.999 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -0.875 -13.932 6.328 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -1.757 -14.681 5.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -1.015 -16.320 6.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -0.251 -16.582 5.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 0.604 -15.857 6.394 1.00 0.00 H new ATOM 664 N LEU A 46 -1.548 -9.574 2.666 1.00 0.00 N ATOM 665 CA LEU A 46 -1.882 -8.279 3.246 1.00 0.00 C ATOM 666 C LEU A 46 -2.354 -8.433 4.688 1.00 0.00 C ATOM 667 O LEU A 46 -3.444 -8.946 4.944 1.00 0.00 O ATOM 668 CB LEU A 46 -2.966 -7.590 2.414 1.00 0.00 C ATOM 669 CG LEU A 46 -2.483 -6.838 1.173 1.00 0.00 C ATOM 670 CD1 LEU A 46 -1.703 -5.595 1.572 1.00 0.00 C ATOM 671 CD2 LEU A 46 -1.631 -7.746 0.297 1.00 0.00 C ATOM 0 H LEU A 46 -2.342 -10.206 2.560 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.982 -7.664 3.241 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -3.688 -8.343 2.100 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -3.497 -6.887 3.056 1.00 0.00 H new ATOM 0 HG LEU A 46 -3.355 -6.526 0.599 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -1.367 -5.073 0.676 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -2.344 -4.936 2.158 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.838 -5.884 2.169 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -1.296 -7.194 -0.581 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -0.764 -8.089 0.863 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -2.222 -8.606 -0.018 1.00 0.00 H new ATOM 683 N HIS A 47 -1.527 -7.984 5.627 1.00 0.00 N ATOM 684 CA HIS A 47 -1.861 -8.070 7.044 1.00 0.00 C ATOM 685 C HIS A 47 -2.404 -6.739 7.556 1.00 0.00 C ATOM 686 O HIS A 47 -1.893 -5.674 7.209 1.00 0.00 O ATOM 687 CB HIS A 47 -0.631 -8.479 7.856 1.00 0.00 C ATOM 688 CG HIS A 47 -0.697 -8.064 9.293 1.00 0.00 C ATOM 689 ND1 HIS A 47 -1.098 -8.912 10.304 1.00 0.00 N ATOM 690 CD2 HIS A 47 -0.408 -6.883 9.888 1.00 0.00 C ATOM 691 CE1 HIS A 47 -1.055 -8.270 11.458 1.00 0.00 C ATOM 692 NE2 HIS A 47 -0.639 -7.037 11.233 1.00 0.00 N ATOM 0 H HIS A 47 -0.621 -7.557 5.432 1.00 0.00 H new ATOM 0 HA HIS A 47 -2.635 -8.828 7.164 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -0.515 -9.562 7.804 1.00 0.00 H new ATOM 0 HB3 HIS A 47 0.257 -8.041 7.400 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -0.060 -5.986 9.396 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -1.316 -8.683 12.421 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -0.510 -6.316 11.943 1.00 0.00 H new ATOM 701 N PHE A 48 -3.441 -6.808 8.383 1.00 0.00 N ATOM 702 CA PHE A 48 -4.054 -5.608 8.942 1.00 0.00 C ATOM 703 C PHE A 48 -3.439 -5.262 10.294 1.00 0.00 C ATOM 704 O PHE A 48 -3.462 -6.069 11.224 1.00 0.00 O ATOM 705 CB PHE A 48 -5.565 -5.804 9.091 1.00 0.00 C ATOM 706 CG PHE A 48 -6.291 -5.890 7.779 1.00 0.00 C ATOM 707 CD1 PHE A 48 -6.707 -4.741 7.126 1.00 0.00 C ATOM 708 CD2 PHE A 48 -6.556 -7.120 7.199 1.00 0.00 C ATOM 709 CE1 PHE A 48 -7.376 -4.818 5.919 1.00 0.00 C ATOM 710 CE2 PHE A 48 -7.224 -7.203 5.992 1.00 0.00 C ATOM 711 CZ PHE A 48 -7.634 -6.050 5.351 1.00 0.00 C ATOM 0 H PHE A 48 -3.875 -7.682 8.681 1.00 0.00 H new ATOM 0 HA PHE A 48 -3.867 -4.782 8.256 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -5.751 -6.715 9.660 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -5.975 -4.977 9.670 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -6.506 -3.775 7.565 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -6.237 -8.024 7.696 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -7.697 -3.915 5.420 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -7.425 -8.168 5.551 1.00 0.00 H new ATOM 0 HZ PHE A 48 -8.155 -6.112 4.407 1.00 0.00 H new ATOM 721 N ASP A 49 -2.888 -4.057 10.396 1.00 0.00 N ATOM 722 CA ASP A 49 -2.266 -3.603 11.634 1.00 0.00 C ATOM 723 C ASP A 49 -3.266 -3.629 12.786 1.00 0.00 C ATOM 724 O ASP A 49 -4.280 -2.934 12.757 1.00 0.00 O ATOM 725 CB ASP A 49 -1.707 -2.190 11.460 1.00 0.00 C ATOM 726 CG ASP A 49 -1.046 -1.669 12.721 1.00 0.00 C ATOM 727 OD1 ASP A 49 -1.761 -1.107 13.576 1.00 0.00 O ATOM 728 OD2 ASP A 49 0.187 -1.824 12.852 1.00 0.00 O ATOM 0 H ASP A 49 -2.860 -3.377 9.636 1.00 0.00 H new ATOM 0 HA ASP A 49 -1.448 -4.283 11.871 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -0.982 -2.187 10.646 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -2.514 -1.516 11.171 1.00 0.00 H new ATOM 733 N GLY A 50 -2.972 -4.438 13.799 1.00 0.00 N ATOM 734 CA GLY A 50 -3.855 -4.542 14.946 1.00 0.00 C ATOM 735 C GLY A 50 -4.631 -5.843 14.965 1.00 0.00 C ATOM 736 O GLY A 50 -4.740 -6.495 16.004 1.00 0.00 O ATOM 0 H GLY A 50 -2.138 -5.023 13.846 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -3.268 -4.459 15.861 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -4.554 -3.706 14.939 1.00 0.00 H new ATOM 740 N TYR A 51 -5.174 -6.223 13.813 1.00 0.00 N ATOM 741 CA TYR A 51 -5.949 -7.453 13.702 1.00 0.00 C ATOM 742 C TYR A 51 -5.044 -8.677 13.810 1.00 0.00 C ATOM 743 O TYR A 51 -3.823 -8.555 13.906 1.00 0.00 O ATOM 744 CB TYR A 51 -6.711 -7.483 12.376 1.00 0.00 C ATOM 745 CG TYR A 51 -7.931 -6.591 12.359 1.00 0.00 C ATOM 746 CD1 TYR A 51 -7.829 -5.247 12.022 1.00 0.00 C ATOM 747 CD2 TYR A 51 -9.187 -7.092 12.679 1.00 0.00 C ATOM 748 CE1 TYR A 51 -8.941 -4.428 12.006 1.00 0.00 C ATOM 749 CE2 TYR A 51 -10.305 -6.281 12.664 1.00 0.00 C ATOM 750 CZ TYR A 51 -10.177 -4.949 12.328 1.00 0.00 C ATOM 751 OH TYR A 51 -11.288 -4.137 12.311 1.00 0.00 O ATOM 0 H TYR A 51 -5.092 -5.697 12.943 1.00 0.00 H new ATOM 0 HA TYR A 51 -6.664 -7.478 14.524 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -6.039 -7.180 11.573 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -7.017 -8.508 12.166 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -6.863 -4.835 11.768 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -9.291 -8.134 12.944 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -8.843 -3.385 11.743 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -11.274 -6.687 12.914 1.00 0.00 H new ATOM 0 HH TYR A 51 -12.079 -4.659 12.561 1.00 0.00 H new ATOM 761 N SER A 52 -5.654 -9.858 13.792 1.00 0.00 N ATOM 762 CA SER A 52 -4.906 -11.106 13.890 1.00 0.00 C ATOM 763 C SER A 52 -4.610 -11.673 12.505 1.00 0.00 C ATOM 764 O SER A 52 -5.287 -11.346 11.530 1.00 0.00 O ATOM 765 CB SER A 52 -5.687 -12.130 14.716 1.00 0.00 C ATOM 766 OG SER A 52 -6.709 -12.736 13.943 1.00 0.00 O ATOM 0 H SER A 52 -6.664 -9.977 13.710 1.00 0.00 H new ATOM 0 HA SER A 52 -3.959 -10.895 14.387 1.00 0.00 H new ATOM 0 HB2 SER A 52 -5.007 -12.896 15.090 1.00 0.00 H new ATOM 0 HB3 SER A 52 -6.126 -11.642 15.586 1.00 0.00 H new ATOM 0 HG SER A 52 -7.369 -12.059 13.685 1.00 0.00 H new ATOM 772 N ASP A 53 -3.593 -12.524 12.426 1.00 0.00 N ATOM 773 CA ASP A 53 -3.206 -13.138 11.161 1.00 0.00 C ATOM 774 C ASP A 53 -4.413 -13.765 10.469 1.00 0.00 C ATOM 775 O ASP A 53 -4.589 -13.624 9.259 1.00 0.00 O ATOM 776 CB ASP A 53 -2.128 -14.198 11.392 1.00 0.00 C ATOM 777 CG ASP A 53 -2.593 -15.304 12.318 1.00 0.00 C ATOM 778 OD1 ASP A 53 -3.114 -14.986 13.408 1.00 0.00 O ATOM 779 OD2 ASP A 53 -2.437 -16.488 11.953 1.00 0.00 O ATOM 0 H ASP A 53 -3.022 -12.804 13.223 1.00 0.00 H new ATOM 0 HA ASP A 53 -2.804 -12.357 10.515 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -1.835 -14.629 10.435 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -1.241 -13.724 11.813 1.00 0.00 H new ATOM 784 N CYS A 54 -5.239 -14.456 11.246 1.00 0.00 N ATOM 785 CA CYS A 54 -6.429 -15.107 10.708 1.00 0.00 C ATOM 786 C CYS A 54 -7.133 -14.205 9.700 1.00 0.00 C ATOM 787 O CYS A 54 -7.736 -14.683 8.738 1.00 0.00 O ATOM 788 CB CYS A 54 -7.390 -15.475 11.839 1.00 0.00 C ATOM 789 SG CYS A 54 -8.899 -16.303 11.286 1.00 0.00 S ATOM 0 H CYS A 54 -5.107 -14.580 12.250 1.00 0.00 H new ATOM 0 HA CYS A 54 -6.115 -16.017 10.197 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -6.871 -16.123 12.546 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -7.663 -14.568 12.379 1.00 0.00 H new ATOM 0 HG CYS A 54 -9.110 -16.028 10.033 1.00 0.00 H new ATOM 795 N TYR A 55 -7.054 -12.898 9.927 1.00 0.00 N ATOM 796 CA TYR A 55 -7.688 -11.929 9.041 1.00 0.00 C ATOM 797 C TYR A 55 -6.735 -11.506 7.927 1.00 0.00 C ATOM 798 O TYR A 55 -6.719 -10.345 7.516 1.00 0.00 O ATOM 799 CB TYR A 55 -8.140 -10.701 9.834 1.00 0.00 C ATOM 800 CG TYR A 55 -9.000 -11.037 11.031 1.00 0.00 C ATOM 801 CD1 TYR A 55 -10.382 -11.130 10.915 1.00 0.00 C ATOM 802 CD2 TYR A 55 -8.431 -11.262 12.278 1.00 0.00 C ATOM 803 CE1 TYR A 55 -11.171 -11.435 12.006 1.00 0.00 C ATOM 804 CE2 TYR A 55 -9.213 -11.570 13.375 1.00 0.00 C ATOM 805 CZ TYR A 55 -10.583 -11.655 13.234 1.00 0.00 C ATOM 806 OH TYR A 55 -11.366 -11.961 14.323 1.00 0.00 O ATOM 0 H TYR A 55 -6.557 -12.486 10.717 1.00 0.00 H new ATOM 0 HA TYR A 55 -8.560 -12.403 8.589 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -7.260 -10.153 10.171 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -8.696 -10.036 9.173 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -10.847 -10.961 9.955 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -7.359 -11.195 12.392 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -12.244 -11.501 11.898 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -8.754 -11.743 14.337 1.00 0.00 H new ATOM 0 HH TYR A 55 -10.796 -12.087 15.110 1.00 0.00 H new ATOM 816 N ASP A 56 -5.944 -12.456 7.442 1.00 0.00 N ATOM 817 CA ASP A 56 -4.989 -12.184 6.374 1.00 0.00 C ATOM 818 C ASP A 56 -5.607 -12.465 5.008 1.00 0.00 C ATOM 819 O ASP A 56 -6.345 -13.435 4.836 1.00 0.00 O ATOM 820 CB ASP A 56 -3.728 -13.031 6.560 1.00 0.00 C ATOM 821 CG ASP A 56 -2.800 -12.461 7.614 1.00 0.00 C ATOM 822 OD1 ASP A 56 -2.567 -11.235 7.600 1.00 0.00 O ATOM 823 OD2 ASP A 56 -2.304 -13.243 8.453 1.00 0.00 O ATOM 0 H ASP A 56 -5.945 -13.421 7.771 1.00 0.00 H new ATOM 0 HA ASP A 56 -4.720 -11.129 6.421 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -4.013 -14.045 6.840 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -3.197 -13.100 5.611 1.00 0.00 H new ATOM 828 N PHE A 57 -5.302 -11.608 4.039 1.00 0.00 N ATOM 829 CA PHE A 57 -5.830 -11.762 2.688 1.00 0.00 C ATOM 830 C PHE A 57 -4.768 -11.421 1.647 1.00 0.00 C ATOM 831 O PHE A 57 -3.911 -10.567 1.876 1.00 0.00 O ATOM 832 CB PHE A 57 -7.058 -10.870 2.492 1.00 0.00 C ATOM 833 CG PHE A 57 -6.728 -9.407 2.410 1.00 0.00 C ATOM 834 CD1 PHE A 57 -6.118 -8.760 3.473 1.00 0.00 C ATOM 835 CD2 PHE A 57 -7.028 -8.678 1.271 1.00 0.00 C ATOM 836 CE1 PHE A 57 -5.815 -7.414 3.401 1.00 0.00 C ATOM 837 CE2 PHE A 57 -6.727 -7.332 1.192 1.00 0.00 C ATOM 838 CZ PHE A 57 -6.119 -6.699 2.258 1.00 0.00 C ATOM 0 H PHE A 57 -4.692 -10.800 4.164 1.00 0.00 H new ATOM 0 HA PHE A 57 -6.122 -12.804 2.556 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -7.573 -11.170 1.580 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -7.751 -11.032 3.318 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -5.877 -9.314 4.368 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -7.503 -9.168 0.434 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -5.341 -6.921 4.237 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -6.967 -6.776 0.298 1.00 0.00 H new ATOM 0 HZ PHE A 57 -5.881 -5.647 2.199 1.00 0.00 H new ATOM 848 N TRP A 58 -4.832 -12.093 0.504 1.00 0.00 N ATOM 849 CA TRP A 58 -3.875 -11.862 -0.573 1.00 0.00 C ATOM 850 C TRP A 58 -4.520 -11.086 -1.716 1.00 0.00 C ATOM 851 O TRP A 58 -5.600 -11.440 -2.189 1.00 0.00 O ATOM 852 CB TRP A 58 -3.326 -13.193 -1.090 1.00 0.00 C ATOM 853 CG TRP A 58 -2.595 -13.980 -0.044 1.00 0.00 C ATOM 854 CD1 TRP A 58 -3.085 -14.393 1.162 1.00 0.00 C ATOM 855 CD2 TRP A 58 -1.243 -14.446 -0.112 1.00 0.00 C ATOM 856 NE1 TRP A 58 -2.119 -15.088 1.848 1.00 0.00 N ATOM 857 CE2 TRP A 58 -0.980 -15.136 1.088 1.00 0.00 C ATOM 858 CE3 TRP A 58 -0.230 -14.351 -1.070 1.00 0.00 C ATOM 859 CZ2 TRP A 58 0.254 -15.723 1.353 1.00 0.00 C ATOM 860 CZ3 TRP A 58 0.994 -14.935 -0.805 1.00 0.00 C ATOM 861 CH2 TRP A 58 1.227 -15.614 0.398 1.00 0.00 C ATOM 0 H TRP A 58 -5.536 -12.802 0.298 1.00 0.00 H new ATOM 0 HA TRP A 58 -3.052 -11.269 -0.174 1.00 0.00 H new ATOM 0 HB2 TRP A 58 -4.150 -13.793 -1.476 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -2.653 -13.000 -1.926 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -4.085 -14.201 1.523 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -2.231 -15.502 2.774 1.00 0.00 H new ATOM 0 HE3 TRP A 58 -0.401 -13.830 -2.001 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 0.437 -16.246 2.280 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 1.784 -14.867 -1.538 1.00 0.00 H new ATOM 0 HH2 TRP A 58 2.194 -16.060 0.575 1.00 0.00 H new ATOM 872 N VAL A 59 -3.850 -10.025 -2.157 1.00 0.00 N ATOM 873 CA VAL A 59 -4.358 -9.199 -3.246 1.00 0.00 C ATOM 874 C VAL A 59 -3.453 -9.287 -4.470 1.00 0.00 C ATOM 875 O VAL A 59 -2.396 -9.916 -4.429 1.00 0.00 O ATOM 876 CB VAL A 59 -4.485 -7.725 -2.821 1.00 0.00 C ATOM 877 CG1 VAL A 59 -5.441 -7.589 -1.645 1.00 0.00 C ATOM 878 CG2 VAL A 59 -3.119 -7.150 -2.477 1.00 0.00 C ATOM 0 H VAL A 59 -2.955 -9.718 -1.777 1.00 0.00 H new ATOM 0 HA VAL A 59 -5.346 -9.582 -3.499 1.00 0.00 H new ATOM 0 HB VAL A 59 -4.892 -7.158 -3.658 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -5.518 -6.540 -1.358 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -6.425 -7.960 -1.931 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -5.065 -8.169 -0.802 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -3.228 -6.107 -2.179 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -2.681 -7.718 -1.656 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -2.468 -7.212 -3.349 1.00 0.00 H new ATOM 888 N ASN A 60 -3.876 -8.652 -5.559 1.00 0.00 N ATOM 889 CA ASN A 60 -3.103 -8.659 -6.795 1.00 0.00 C ATOM 890 C ASN A 60 -1.804 -7.876 -6.630 1.00 0.00 C ATOM 891 O ASN A 60 -1.821 -6.677 -6.353 1.00 0.00 O ATOM 892 CB ASN A 60 -3.928 -8.064 -7.939 1.00 0.00 C ATOM 893 CG ASN A 60 -5.392 -8.451 -7.858 1.00 0.00 C ATOM 894 OD1 ASN A 60 -5.729 -9.566 -7.459 1.00 0.00 O ATOM 895 ND2 ASN A 60 -6.269 -7.530 -8.239 1.00 0.00 N ATOM 0 H ASN A 60 -4.749 -8.127 -5.610 1.00 0.00 H new ATOM 0 HA ASN A 60 -2.855 -9.693 -7.033 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -3.841 -6.978 -7.920 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -3.518 -8.400 -8.892 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -7.268 -7.733 -8.208 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -5.944 -6.619 -8.563 1.00 0.00 H new ATOM 902 N ALA A 61 -0.679 -8.563 -6.802 1.00 0.00 N ATOM 903 CA ALA A 61 0.628 -7.932 -6.674 1.00 0.00 C ATOM 904 C ALA A 61 0.642 -6.558 -7.336 1.00 0.00 C ATOM 905 O ALA A 61 1.305 -5.636 -6.861 1.00 0.00 O ATOM 906 CB ALA A 61 1.705 -8.821 -7.279 1.00 0.00 C ATOM 0 H ALA A 61 -0.647 -9.557 -7.030 1.00 0.00 H new ATOM 0 HA ALA A 61 0.836 -7.798 -5.613 1.00 0.00 H new ATOM 0 HB1 ALA A 61 2.676 -8.337 -7.176 1.00 0.00 H new ATOM 0 HB2 ALA A 61 1.720 -9.779 -6.759 1.00 0.00 H new ATOM 0 HB3 ALA A 61 1.491 -8.984 -8.335 1.00 0.00 H new ATOM 912 N ASP A 62 -0.093 -6.429 -8.435 1.00 0.00 N ATOM 913 CA ASP A 62 -0.165 -5.166 -9.163 1.00 0.00 C ATOM 914 C ASP A 62 -1.588 -4.615 -9.154 1.00 0.00 C ATOM 915 O ASP A 62 -2.082 -4.128 -10.170 1.00 0.00 O ATOM 916 CB ASP A 62 0.313 -5.355 -10.603 1.00 0.00 C ATOM 917 CG ASP A 62 -0.781 -5.882 -11.512 1.00 0.00 C ATOM 918 OD1 ASP A 62 -1.599 -6.699 -11.041 1.00 0.00 O ATOM 919 OD2 ASP A 62 -0.817 -5.479 -12.693 1.00 0.00 O ATOM 0 H ASP A 62 -0.647 -7.183 -8.842 1.00 0.00 H new ATOM 0 HA ASP A 62 0.487 -4.449 -8.664 1.00 0.00 H new ATOM 0 HB2 ASP A 62 0.676 -4.403 -10.990 1.00 0.00 H new ATOM 0 HB3 ASP A 62 1.156 -6.046 -10.615 1.00 0.00 H new ATOM 924 N ALA A 63 -2.241 -4.697 -7.999 1.00 0.00 N ATOM 925 CA ALA A 63 -3.606 -4.205 -7.858 1.00 0.00 C ATOM 926 C ALA A 63 -3.651 -2.682 -7.919 1.00 0.00 C ATOM 927 O ALA A 63 -2.657 -2.010 -7.638 1.00 0.00 O ATOM 928 CB ALA A 63 -4.213 -4.701 -6.554 1.00 0.00 C ATOM 0 H ALA A 63 -1.847 -5.099 -7.148 1.00 0.00 H new ATOM 0 HA ALA A 63 -4.193 -4.593 -8.691 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -5.232 -4.326 -6.461 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -4.225 -5.791 -6.550 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -3.617 -4.342 -5.715 1.00 0.00 H new ATOM 934 N LEU A 64 -4.807 -2.143 -8.289 1.00 0.00 N ATOM 935 CA LEU A 64 -4.981 -0.698 -8.387 1.00 0.00 C ATOM 936 C LEU A 64 -5.507 -0.122 -7.077 1.00 0.00 C ATOM 937 O LEU A 64 -5.203 1.017 -6.721 1.00 0.00 O ATOM 938 CB LEU A 64 -5.939 -0.357 -9.530 1.00 0.00 C ATOM 939 CG LEU A 64 -5.564 -0.904 -10.907 1.00 0.00 C ATOM 940 CD1 LEU A 64 -6.731 -0.766 -11.873 1.00 0.00 C ATOM 941 CD2 LEU A 64 -4.334 -0.188 -11.448 1.00 0.00 C ATOM 0 H LEU A 64 -5.638 -2.685 -8.526 1.00 0.00 H new ATOM 0 HA LEU A 64 -4.008 -0.252 -8.592 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -6.930 -0.731 -9.270 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -6.016 0.728 -9.601 1.00 0.00 H new ATOM 0 HG LEU A 64 -5.328 -1.963 -10.804 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -6.445 -1.161 -12.848 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -7.586 -1.324 -11.492 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -6.999 0.286 -11.972 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -4.081 -0.590 -12.429 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -4.543 0.878 -11.536 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -3.496 -0.339 -10.767 1.00 0.00 H new ATOM 953 N ASP A 65 -6.297 -0.916 -6.363 1.00 0.00 N ATOM 954 CA ASP A 65 -6.863 -0.487 -5.089 1.00 0.00 C ATOM 955 C ASP A 65 -5.762 -0.203 -4.073 1.00 0.00 C ATOM 956 O ASP A 65 -5.920 0.644 -3.193 1.00 0.00 O ATOM 957 CB ASP A 65 -7.815 -1.553 -4.545 1.00 0.00 C ATOM 958 CG ASP A 65 -8.485 -2.349 -5.647 1.00 0.00 C ATOM 959 OD1 ASP A 65 -7.839 -3.269 -6.191 1.00 0.00 O ATOM 960 OD2 ASP A 65 -9.655 -2.051 -5.968 1.00 0.00 O ATOM 0 H ASP A 65 -6.560 -1.860 -6.645 1.00 0.00 H new ATOM 0 HA ASP A 65 -7.421 0.434 -5.259 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -7.262 -2.232 -3.895 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -8.578 -1.075 -3.931 1.00 0.00 H new ATOM 965 N ILE A 66 -4.648 -0.917 -4.200 1.00 0.00 N ATOM 966 CA ILE A 66 -3.522 -0.741 -3.292 1.00 0.00 C ATOM 967 C ILE A 66 -2.671 0.458 -3.697 1.00 0.00 C ATOM 968 O ILE A 66 -2.559 0.782 -4.880 1.00 0.00 O ATOM 969 CB ILE A 66 -2.631 -1.997 -3.250 1.00 0.00 C ATOM 970 CG1 ILE A 66 -2.103 -2.321 -4.649 1.00 0.00 C ATOM 971 CG2 ILE A 66 -3.407 -3.177 -2.684 1.00 0.00 C ATOM 972 CD1 ILE A 66 -0.858 -3.181 -4.641 1.00 0.00 C ATOM 0 H ILE A 66 -4.502 -1.622 -4.922 1.00 0.00 H new ATOM 0 HA ILE A 66 -3.941 -0.568 -2.300 1.00 0.00 H new ATOM 0 HB ILE A 66 -1.780 -1.800 -2.598 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -2.883 -2.831 -5.214 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -1.888 -1.389 -5.172 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -2.765 -4.057 -2.660 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -3.739 -2.943 -1.673 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -4.274 -3.378 -3.313 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -0.540 -3.371 -5.666 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -0.062 -2.664 -4.104 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -1.073 -4.128 -4.147 1.00 0.00 H new ATOM 984 N HIS A 67 -2.072 1.113 -2.708 1.00 0.00 N ATOM 985 CA HIS A 67 -1.228 2.275 -2.961 1.00 0.00 C ATOM 986 C HIS A 67 -0.053 2.316 -1.989 1.00 0.00 C ATOM 987 O HIS A 67 -0.111 1.776 -0.884 1.00 0.00 O ATOM 988 CB HIS A 67 -2.047 3.561 -2.843 1.00 0.00 C ATOM 989 CG HIS A 67 -3.010 3.763 -3.972 1.00 0.00 C ATOM 990 ND1 HIS A 67 -2.610 4.020 -5.266 1.00 0.00 N ATOM 991 CD2 HIS A 67 -4.364 3.743 -3.995 1.00 0.00 C ATOM 992 CE1 HIS A 67 -3.675 4.151 -6.037 1.00 0.00 C ATOM 993 NE2 HIS A 67 -4.752 3.987 -5.290 1.00 0.00 N ATOM 0 H HIS A 67 -2.155 0.859 -1.724 1.00 0.00 H new ATOM 0 HA HIS A 67 -0.835 2.194 -3.975 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -2.599 3.545 -1.903 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -1.367 4.412 -2.799 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -5.017 3.568 -3.153 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -3.666 4.357 -7.097 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -5.716 4.034 -5.621 1.00 0.00 H new ATOM 1002 N PRO A 68 1.040 2.971 -2.408 1.00 0.00 N ATOM 1003 CA PRO A 68 2.250 3.097 -1.590 1.00 0.00 C ATOM 1004 C PRO A 68 2.043 4.012 -0.387 1.00 0.00 C ATOM 1005 O PRO A 68 1.191 4.900 -0.409 1.00 0.00 O ATOM 1006 CB PRO A 68 3.270 3.705 -2.556 1.00 0.00 C ATOM 1007 CG PRO A 68 2.449 4.430 -3.566 1.00 0.00 C ATOM 1008 CD PRO A 68 1.179 3.638 -3.713 1.00 0.00 C ATOM 0 HA PRO A 68 2.560 2.140 -1.169 1.00 0.00 H new ATOM 0 HB2 PRO A 68 3.950 4.382 -2.039 1.00 0.00 H new ATOM 0 HB3 PRO A 68 3.882 2.933 -3.023 1.00 0.00 H new ATOM 0 HG2 PRO A 68 2.238 5.448 -3.239 1.00 0.00 H new ATOM 0 HG3 PRO A 68 2.976 4.503 -4.517 1.00 0.00 H new ATOM 0 HD2 PRO A 68 0.326 4.282 -3.928 1.00 0.00 H new ATOM 0 HD3 PRO A 68 1.247 2.917 -4.528 1.00 0.00 H new ATOM 1016 N VAL A 69 2.829 3.790 0.662 1.00 0.00 N ATOM 1017 CA VAL A 69 2.733 4.595 1.873 1.00 0.00 C ATOM 1018 C VAL A 69 2.776 6.084 1.548 1.00 0.00 C ATOM 1019 O VAL A 69 3.519 6.517 0.668 1.00 0.00 O ATOM 1020 CB VAL A 69 3.869 4.263 2.859 1.00 0.00 C ATOM 1021 CG1 VAL A 69 3.776 5.143 4.097 1.00 0.00 C ATOM 1022 CG2 VAL A 69 3.832 2.790 3.237 1.00 0.00 C ATOM 0 H VAL A 69 3.539 3.059 0.697 1.00 0.00 H new ATOM 0 HA VAL A 69 1.777 4.355 2.338 1.00 0.00 H new ATOM 0 HB VAL A 69 4.822 4.465 2.370 1.00 0.00 H new ATOM 0 HG11 VAL A 69 4.587 4.894 4.782 1.00 0.00 H new ATOM 0 HG12 VAL A 69 3.856 6.190 3.806 1.00 0.00 H new ATOM 0 HG13 VAL A 69 2.819 4.976 4.591 1.00 0.00 H new ATOM 0 HG21 VAL A 69 4.641 2.573 3.934 1.00 0.00 H new ATOM 0 HG22 VAL A 69 2.876 2.559 3.707 1.00 0.00 H new ATOM 0 HG23 VAL A 69 3.952 2.181 2.341 1.00 0.00 H new ATOM 1032 N GLY A 70 1.974 6.865 2.265 1.00 0.00 N ATOM 1033 CA GLY A 70 1.935 8.297 2.038 1.00 0.00 C ATOM 1034 C GLY A 70 1.302 8.657 0.709 1.00 0.00 C ATOM 1035 O GLY A 70 1.590 9.711 0.142 1.00 0.00 O ATOM 0 H GLY A 70 1.350 6.531 3.000 1.00 0.00 H new ATOM 0 HA2 GLY A 70 1.377 8.774 2.844 1.00 0.00 H new ATOM 0 HA3 GLY A 70 2.949 8.695 2.073 1.00 0.00 H new ATOM 1039 N TRP A 71 0.438 7.780 0.211 1.00 0.00 N ATOM 1040 CA TRP A 71 -0.237 8.010 -1.062 1.00 0.00 C ATOM 1041 C TRP A 71 -1.529 8.793 -0.858 1.00 0.00 C ATOM 1042 O TRP A 71 -1.812 9.743 -1.589 1.00 0.00 O ATOM 1043 CB TRP A 71 -0.535 6.679 -1.753 1.00 0.00 C ATOM 1044 CG TRP A 71 -1.423 6.818 -2.952 1.00 0.00 C ATOM 1045 CD1 TRP A 71 -1.029 6.924 -4.255 1.00 0.00 C ATOM 1046 CD2 TRP A 71 -2.854 6.867 -2.958 1.00 0.00 C ATOM 1047 NE1 TRP A 71 -2.129 7.037 -5.071 1.00 0.00 N ATOM 1048 CE2 TRP A 71 -3.261 7.004 -4.299 1.00 0.00 C ATOM 1049 CE3 TRP A 71 -3.831 6.808 -1.961 1.00 0.00 C ATOM 1050 CZ2 TRP A 71 -4.602 7.083 -4.666 1.00 0.00 C ATOM 1051 CZ3 TRP A 71 -5.161 6.887 -2.326 1.00 0.00 C ATOM 1052 CH2 TRP A 71 -5.537 7.022 -3.669 1.00 0.00 C ATOM 0 H TRP A 71 0.188 6.903 0.669 1.00 0.00 H new ATOM 0 HA TRP A 71 0.426 8.598 -1.696 1.00 0.00 H new ATOM 0 HB2 TRP A 71 0.404 6.217 -2.057 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -1.005 6.004 -1.038 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -0.004 6.920 -4.594 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -2.107 7.130 -6.086 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -3.551 6.702 -0.923 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -4.894 7.189 -5.701 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -5.924 6.844 -1.563 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -6.585 7.079 -3.922 1.00 0.00 H new ATOM 1063 N CYS A 72 -2.310 8.388 0.137 1.00 0.00 N ATOM 1064 CA CYS A 72 -3.574 9.052 0.436 1.00 0.00 C ATOM 1065 C CYS A 72 -3.413 10.568 0.403 1.00 0.00 C ATOM 1066 O CYS A 72 -4.082 11.256 -0.367 1.00 0.00 O ATOM 1067 CB CYS A 72 -4.095 8.612 1.805 1.00 0.00 C ATOM 1068 SG CYS A 72 -4.723 6.917 1.846 1.00 0.00 S ATOM 0 H CYS A 72 -2.090 7.603 0.750 1.00 0.00 H new ATOM 0 HA CYS A 72 -4.296 8.765 -0.328 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -3.292 8.708 2.536 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -4.890 9.290 2.114 1.00 0.00 H new ATOM 0 HG CYS A 72 -5.901 6.904 2.396 1.00 0.00 H new ATOM 1074 N GLU A 73 -2.522 11.082 1.245 1.00 0.00 N ATOM 1075 CA GLU A 73 -2.275 12.517 1.314 1.00 0.00 C ATOM 1076 C GLU A 73 -1.696 13.033 0.000 1.00 0.00 C ATOM 1077 O GLU A 73 -2.066 14.106 -0.477 1.00 0.00 O ATOM 1078 CB GLU A 73 -1.322 12.839 2.466 1.00 0.00 C ATOM 1079 CG GLU A 73 -1.830 12.381 3.823 1.00 0.00 C ATOM 1080 CD GLU A 73 -1.050 12.988 4.973 1.00 0.00 C ATOM 1081 OE1 GLU A 73 0.194 12.877 4.970 1.00 0.00 O ATOM 1082 OE2 GLU A 73 -1.683 13.573 5.876 1.00 0.00 O ATOM 0 H GLU A 73 -1.959 10.526 1.889 1.00 0.00 H new ATOM 0 HA GLU A 73 -3.228 13.015 1.492 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -0.358 12.369 2.271 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -1.152 13.915 2.496 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -2.882 12.648 3.922 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -1.770 11.294 3.882 1.00 0.00 H new ATOM 1089 N LYS A 74 -0.783 12.261 -0.581 1.00 0.00 N ATOM 1090 CA LYS A 74 -0.151 12.637 -1.840 1.00 0.00 C ATOM 1091 C LYS A 74 -1.193 13.096 -2.856 1.00 0.00 C ATOM 1092 O LYS A 74 -1.070 14.170 -3.445 1.00 0.00 O ATOM 1093 CB LYS A 74 0.645 11.460 -2.406 1.00 0.00 C ATOM 1094 CG LYS A 74 1.410 11.797 -3.674 1.00 0.00 C ATOM 1095 CD LYS A 74 2.127 10.579 -4.233 1.00 0.00 C ATOM 1096 CE LYS A 74 2.917 10.924 -5.486 1.00 0.00 C ATOM 1097 NZ LYS A 74 4.297 11.381 -5.164 1.00 0.00 N ATOM 0 H LYS A 74 -0.464 11.370 -0.199 1.00 0.00 H new ATOM 0 HA LYS A 74 0.529 13.466 -1.643 1.00 0.00 H new ATOM 0 HB2 LYS A 74 1.348 11.110 -1.650 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -0.038 10.636 -2.612 1.00 0.00 H new ATOM 0 HG2 LYS A 74 0.721 12.190 -4.422 1.00 0.00 H new ATOM 0 HG3 LYS A 74 2.135 12.583 -3.464 1.00 0.00 H new ATOM 0 HD2 LYS A 74 2.800 10.173 -3.478 1.00 0.00 H new ATOM 0 HD3 LYS A 74 1.399 9.801 -4.463 1.00 0.00 H new ATOM 0 HE2 LYS A 74 2.966 10.050 -6.136 1.00 0.00 H new ATOM 0 HE3 LYS A 74 2.396 11.705 -6.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 4.802 11.606 -6.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 4.251 12.230 -4.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 4.803 10.627 -4.658 1.00 0.00 H new ATOM 1111 N THR A 75 -2.219 12.275 -3.056 1.00 0.00 N ATOM 1112 CA THR A 75 -3.282 12.596 -4.000 1.00 0.00 C ATOM 1113 C THR A 75 -4.276 13.581 -3.394 1.00 0.00 C ATOM 1114 O THR A 75 -4.473 14.678 -3.915 1.00 0.00 O ATOM 1115 CB THR A 75 -4.038 11.331 -4.447 1.00 0.00 C ATOM 1116 OG1 THR A 75 -4.605 10.671 -3.309 1.00 0.00 O ATOM 1117 CG2 THR A 75 -3.109 10.376 -5.181 1.00 0.00 C ATOM 0 H THR A 75 -2.336 11.382 -2.577 1.00 0.00 H new ATOM 0 HA THR A 75 -2.806 13.051 -4.869 1.00 0.00 H new ATOM 0 HB THR A 75 -4.835 11.633 -5.127 1.00 0.00 H new ATOM 0 HG1 THR A 75 -5.085 9.869 -3.602 1.00 0.00 H new ATOM 0 HG21 THR A 75 -3.666 9.490 -5.487 1.00 0.00 H new ATOM 0 HG22 THR A 75 -2.701 10.871 -6.063 1.00 0.00 H new ATOM 0 HG23 THR A 75 -2.293 10.082 -4.520 1.00 0.00 H new ATOM 1125 N GLY A 76 -4.900 13.182 -2.290 1.00 0.00 N ATOM 1126 CA GLY A 76 -5.866 14.042 -1.632 1.00 0.00 C ATOM 1127 C GLY A 76 -7.024 13.265 -1.038 1.00 0.00 C ATOM 1128 O GLY A 76 -8.182 13.660 -1.177 1.00 0.00 O ATOM 0 H GLY A 76 -4.754 12.279 -1.840 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -5.368 14.606 -0.843 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -6.249 14.768 -2.349 1.00 0.00 H new ATOM 1132 N HIS A 77 -6.713 12.156 -0.375 1.00 0.00 N ATOM 1133 CA HIS A 77 -7.737 11.320 0.241 1.00 0.00 C ATOM 1134 C HIS A 77 -7.493 11.178 1.741 1.00 0.00 C ATOM 1135 O HIS A 77 -6.481 11.646 2.263 1.00 0.00 O ATOM 1136 CB HIS A 77 -7.763 9.940 -0.416 1.00 0.00 C ATOM 1137 CG HIS A 77 -8.676 9.857 -1.600 1.00 0.00 C ATOM 1138 ND1 HIS A 77 -8.247 10.047 -2.896 1.00 0.00 N ATOM 1139 CD2 HIS A 77 -10.003 9.602 -1.678 1.00 0.00 C ATOM 1140 CE1 HIS A 77 -9.270 9.914 -3.721 1.00 0.00 C ATOM 1141 NE2 HIS A 77 -10.348 9.643 -3.007 1.00 0.00 N ATOM 0 H HIS A 77 -5.760 11.815 -0.251 1.00 0.00 H new ATOM 0 HA HIS A 77 -8.703 11.803 0.092 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -6.752 9.676 -0.728 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -8.072 9.201 0.323 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -10.667 9.403 -0.850 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -9.232 10.010 -4.796 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -11.284 9.489 -3.382 1.00 0.00 H new ATOM 1150 N LYS A 78 -8.427 10.531 2.429 1.00 0.00 N ATOM 1151 CA LYS A 78 -8.314 10.326 3.868 1.00 0.00 C ATOM 1152 C LYS A 78 -8.035 8.861 4.189 1.00 0.00 C ATOM 1153 O LYS A 78 -8.805 7.976 3.816 1.00 0.00 O ATOM 1154 CB LYS A 78 -9.597 10.778 4.570 1.00 0.00 C ATOM 1155 CG LYS A 78 -9.615 12.258 4.911 1.00 0.00 C ATOM 1156 CD LYS A 78 -9.858 13.111 3.677 1.00 0.00 C ATOM 1157 CE LYS A 78 -11.335 13.164 3.319 1.00 0.00 C ATOM 1158 NZ LYS A 78 -11.676 14.394 2.552 1.00 0.00 N ATOM 0 H LYS A 78 -9.272 10.139 2.013 1.00 0.00 H new ATOM 0 HA LYS A 78 -7.478 10.924 4.231 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -10.450 10.551 3.931 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -9.722 10.201 5.486 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -10.394 12.453 5.648 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -8.666 12.539 5.368 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -9.489 14.121 3.853 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -9.293 12.707 2.837 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -11.598 12.285 2.731 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -11.931 13.128 4.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -12.691 14.393 2.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -11.449 15.233 3.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -11.126 14.416 1.670 1.00 0.00 H new ATOM 1172 N LEU A 79 -6.930 8.613 4.884 1.00 0.00 N ATOM 1173 CA LEU A 79 -6.550 7.255 5.257 1.00 0.00 C ATOM 1174 C LEU A 79 -7.346 6.780 6.469 1.00 0.00 C ATOM 1175 O LEU A 79 -7.575 7.539 7.411 1.00 0.00 O ATOM 1176 CB LEU A 79 -5.052 7.189 5.560 1.00 0.00 C ATOM 1177 CG LEU A 79 -4.601 6.043 6.467 1.00 0.00 C ATOM 1178 CD1 LEU A 79 -4.814 4.703 5.781 1.00 0.00 C ATOM 1179 CD2 LEU A 79 -3.141 6.218 6.859 1.00 0.00 C ATOM 0 H LEU A 79 -6.282 9.334 5.200 1.00 0.00 H new ATOM 0 HA LEU A 79 -6.775 6.598 4.417 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -4.514 7.112 4.615 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -4.753 8.130 6.021 1.00 0.00 H new ATOM 0 HG LEU A 79 -5.206 6.063 7.374 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -4.487 3.900 6.442 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -5.872 4.576 5.551 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -4.236 4.671 4.858 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -2.836 5.394 7.504 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -2.522 6.225 5.962 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -3.018 7.161 7.392 1.00 0.00 H new ATOM 1191 N HIS A 80 -7.764 5.518 6.438 1.00 0.00 N ATOM 1192 CA HIS A 80 -8.533 4.941 7.535 1.00 0.00 C ATOM 1193 C HIS A 80 -7.612 4.263 8.545 1.00 0.00 C ATOM 1194 O HIS A 80 -6.873 3.333 8.221 1.00 0.00 O ATOM 1195 CB HIS A 80 -9.550 3.934 6.998 1.00 0.00 C ATOM 1196 CG HIS A 80 -10.696 4.569 6.272 1.00 0.00 C ATOM 1197 ND1 HIS A 80 -12.015 4.354 6.612 1.00 0.00 N ATOM 1198 CD2 HIS A 80 -10.714 5.419 5.219 1.00 0.00 C ATOM 1199 CE1 HIS A 80 -12.795 5.043 5.799 1.00 0.00 C ATOM 1200 NE2 HIS A 80 -12.031 5.698 4.944 1.00 0.00 N ATOM 0 H HIS A 80 -7.583 4.876 5.666 1.00 0.00 H new ATOM 0 HA HIS A 80 -9.064 5.749 8.039 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -9.043 3.242 6.325 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -9.939 3.345 7.828 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -9.854 5.806 4.693 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -13.874 5.067 5.828 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -12.364 6.311 4.200 1.00 0.00 H new ATOM 1209 N PRO A 81 -7.656 4.738 9.799 1.00 0.00 N ATOM 1210 CA PRO A 81 -6.832 4.192 10.881 1.00 0.00 C ATOM 1211 C PRO A 81 -7.270 2.790 11.293 1.00 0.00 C ATOM 1212 O PRO A 81 -8.433 2.410 11.152 1.00 0.00 O ATOM 1213 CB PRO A 81 -7.055 5.180 12.029 1.00 0.00 C ATOM 1214 CG PRO A 81 -8.387 5.787 11.753 1.00 0.00 C ATOM 1215 CD PRO A 81 -8.514 5.844 10.256 1.00 0.00 C ATOM 0 HA PRO A 81 -5.788 4.088 10.585 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -7.043 4.674 12.995 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -6.272 5.938 12.056 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -9.187 5.189 12.190 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -8.460 6.783 12.189 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -9.547 5.710 9.935 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -8.179 6.803 9.860 1.00 0.00 H new ATOM 1223 N PRO A 82 -6.319 2.001 11.814 1.00 0.00 N ATOM 1224 CA PRO A 82 -6.584 0.629 12.258 1.00 0.00 C ATOM 1225 C PRO A 82 -7.448 0.583 13.513 1.00 0.00 C ATOM 1226 O PRO A 82 -7.953 1.608 13.970 1.00 0.00 O ATOM 1227 CB PRO A 82 -5.187 0.075 12.550 1.00 0.00 C ATOM 1228 CG PRO A 82 -4.360 1.276 12.859 1.00 0.00 C ATOM 1229 CD PRO A 82 -4.912 2.388 12.012 1.00 0.00 C ATOM 0 HA PRO A 82 -7.137 0.058 11.512 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -5.204 -0.620 13.389 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -4.790 -0.469 11.693 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -4.417 1.527 13.918 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -3.310 1.096 12.630 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -4.827 3.353 12.511 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -4.381 2.472 11.064 1.00 0.00 H new ATOM 1237 N LYS A 83 -7.615 -0.614 14.066 1.00 0.00 N ATOM 1238 CA LYS A 83 -8.417 -0.795 15.270 1.00 0.00 C ATOM 1239 C LYS A 83 -7.904 0.086 16.404 1.00 0.00 C ATOM 1240 O LYS A 83 -6.718 0.066 16.731 1.00 0.00 O ATOM 1241 CB LYS A 83 -8.400 -2.263 15.703 1.00 0.00 C ATOM 1242 CG LYS A 83 -7.084 -2.699 16.323 1.00 0.00 C ATOM 1243 CD LYS A 83 -7.078 -2.485 17.827 1.00 0.00 C ATOM 1244 CE LYS A 83 -5.663 -2.325 18.362 1.00 0.00 C ATOM 1245 NZ LYS A 83 -5.653 -1.820 19.763 1.00 0.00 N ATOM 0 H LYS A 83 -7.205 -1.473 13.699 1.00 0.00 H new ATOM 0 HA LYS A 83 -9.441 -0.501 15.041 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -9.203 -2.431 16.420 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -8.610 -2.891 14.837 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -6.909 -3.752 16.104 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -6.265 -2.139 15.872 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -7.663 -1.598 18.072 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -7.560 -3.330 18.318 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -5.148 -3.284 18.318 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -5.109 -1.636 17.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -4.671 -1.725 20.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -6.122 -0.893 19.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -6.159 -2.490 20.377 1.00 0.00 H new ATOM 1259 N GLY A 84 -8.806 0.859 17.003 1.00 0.00 N ATOM 1260 CA GLY A 84 -8.424 1.735 18.095 1.00 0.00 C ATOM 1261 C GLY A 84 -7.416 2.785 17.671 1.00 0.00 C ATOM 1262 O GLY A 84 -6.438 3.037 18.375 1.00 0.00 O ATOM 0 H GLY A 84 -9.794 0.894 16.751 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -9.313 2.227 18.489 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -8.004 1.139 18.905 1.00 0.00 H new ATOM 1266 N TYR A 85 -7.652 3.397 16.516 1.00 0.00 N ATOM 1267 CA TYR A 85 -6.755 4.422 15.996 1.00 0.00 C ATOM 1268 C TYR A 85 -7.533 5.493 15.236 1.00 0.00 C ATOM 1269 O TYR A 85 -8.557 5.210 14.614 1.00 0.00 O ATOM 1270 CB TYR A 85 -5.703 3.794 15.081 1.00 0.00 C ATOM 1271 CG TYR A 85 -4.446 3.368 15.806 1.00 0.00 C ATOM 1272 CD1 TYR A 85 -3.429 4.279 16.065 1.00 0.00 C ATOM 1273 CD2 TYR A 85 -4.275 2.057 16.230 1.00 0.00 C ATOM 1274 CE1 TYR A 85 -2.278 3.895 16.726 1.00 0.00 C ATOM 1275 CE2 TYR A 85 -3.129 1.664 16.894 1.00 0.00 C ATOM 1276 CZ TYR A 85 -2.133 2.587 17.139 1.00 0.00 C ATOM 1277 OH TYR A 85 -0.989 2.200 17.798 1.00 0.00 O ATOM 0 H TYR A 85 -8.457 3.201 15.922 1.00 0.00 H new ATOM 0 HA TYR A 85 -6.255 4.893 16.842 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -6.137 2.927 14.584 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -5.438 4.509 14.302 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -3.540 5.304 15.744 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -5.052 1.332 16.037 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -1.496 4.615 16.918 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -3.013 0.641 17.219 1.00 0.00 H new ATOM 0 HH TYR A 85 -1.046 1.247 18.021 1.00 0.00 H new ATOM 1287 N LYS A 86 -7.038 6.725 15.290 1.00 0.00 N ATOM 1288 CA LYS A 86 -7.682 7.839 14.606 1.00 0.00 C ATOM 1289 C LYS A 86 -6.720 8.508 13.630 1.00 0.00 C ATOM 1290 O LYS A 86 -5.540 8.683 13.930 1.00 0.00 O ATOM 1291 CB LYS A 86 -8.188 8.865 15.624 1.00 0.00 C ATOM 1292 CG LYS A 86 -9.413 8.404 16.394 1.00 0.00 C ATOM 1293 CD LYS A 86 -10.674 8.513 15.553 1.00 0.00 C ATOM 1294 CE LYS A 86 -11.911 8.679 16.422 1.00 0.00 C ATOM 1295 NZ LYS A 86 -13.157 8.739 15.609 1.00 0.00 N ATOM 0 H LYS A 86 -6.192 6.977 15.801 1.00 0.00 H new ATOM 0 HA LYS A 86 -8.528 7.446 14.043 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -7.388 9.089 16.330 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -8.424 9.794 15.105 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -9.276 7.371 16.713 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -9.524 9.005 17.297 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -10.588 9.362 14.875 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -10.779 7.621 14.935 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -11.975 7.848 17.124 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -11.819 9.590 17.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -13.977 8.852 16.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -13.107 9.547 14.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -13.258 7.859 15.064 1.00 0.00 H new ATOM 1309 N GLU A 87 -7.234 8.880 12.461 1.00 0.00 N ATOM 1310 CA GLU A 87 -6.419 9.531 11.442 1.00 0.00 C ATOM 1311 C GLU A 87 -5.567 10.640 12.052 1.00 0.00 C ATOM 1312 O GLU A 87 -4.354 10.686 11.852 1.00 0.00 O ATOM 1313 CB GLU A 87 -7.308 10.105 10.337 1.00 0.00 C ATOM 1314 CG GLU A 87 -6.544 10.909 9.298 1.00 0.00 C ATOM 1315 CD GLU A 87 -7.431 11.394 8.168 1.00 0.00 C ATOM 1316 OE1 GLU A 87 -8.625 11.660 8.422 1.00 0.00 O ATOM 1317 OE2 GLU A 87 -6.931 11.508 7.029 1.00 0.00 O ATOM 0 H GLU A 87 -8.209 8.742 12.197 1.00 0.00 H new ATOM 0 HA GLU A 87 -5.754 8.782 11.012 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -7.829 9.287 9.840 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -8.070 10.741 10.788 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -6.075 11.767 9.780 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -5.742 10.296 8.888 1.00 0.00 H new ATOM 1324 N GLU A 88 -6.212 11.532 12.798 1.00 0.00 N ATOM 1325 CA GLU A 88 -5.514 12.641 13.436 1.00 0.00 C ATOM 1326 C GLU A 88 -4.498 12.131 14.454 1.00 0.00 C ATOM 1327 O GLU A 88 -3.550 12.833 14.805 1.00 0.00 O ATOM 1328 CB GLU A 88 -6.513 13.576 14.120 1.00 0.00 C ATOM 1329 CG GLU A 88 -7.595 12.846 14.899 1.00 0.00 C ATOM 1330 CD GLU A 88 -8.175 13.687 16.019 1.00 0.00 C ATOM 1331 OE1 GLU A 88 -7.405 14.423 16.670 1.00 0.00 O ATOM 1332 OE2 GLU A 88 -9.401 13.608 16.245 1.00 0.00 O ATOM 0 H GLU A 88 -7.216 11.508 12.975 1.00 0.00 H new ATOM 0 HA GLU A 88 -4.981 13.194 12.663 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -5.973 14.238 14.797 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -6.983 14.207 13.365 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -8.394 12.554 14.217 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -7.181 11.928 15.316 1.00 0.00 H new ATOM 1339 N GLU A 89 -4.705 10.906 14.925 1.00 0.00 N ATOM 1340 CA GLU A 89 -3.809 10.302 15.904 1.00 0.00 C ATOM 1341 C GLU A 89 -2.957 9.211 15.262 1.00 0.00 C ATOM 1342 O GLU A 89 -2.632 8.207 15.897 1.00 0.00 O ATOM 1343 CB GLU A 89 -4.609 9.720 17.071 1.00 0.00 C ATOM 1344 CG GLU A 89 -5.204 10.775 17.989 1.00 0.00 C ATOM 1345 CD GLU A 89 -4.200 11.307 18.993 1.00 0.00 C ATOM 1346 OE1 GLU A 89 -2.984 11.209 18.725 1.00 0.00 O ATOM 1347 OE2 GLU A 89 -4.630 11.820 20.047 1.00 0.00 O ATOM 0 H GLU A 89 -5.485 10.312 14.645 1.00 0.00 H new ATOM 0 HA GLU A 89 -3.147 11.081 16.281 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -5.413 9.100 16.675 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -3.960 9.067 17.655 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -5.584 11.601 17.388 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -6.055 10.350 18.522 1.00 0.00 H new ATOM 1354 N PHE A 90 -2.599 9.415 13.999 1.00 0.00 N ATOM 1355 CA PHE A 90 -1.787 8.448 13.269 1.00 0.00 C ATOM 1356 C PHE A 90 -0.831 9.154 12.311 1.00 0.00 C ATOM 1357 O PHE A 90 -1.253 9.938 11.462 1.00 0.00 O ATOM 1358 CB PHE A 90 -2.682 7.480 12.493 1.00 0.00 C ATOM 1359 CG PHE A 90 -1.938 6.314 11.908 1.00 0.00 C ATOM 1360 CD1 PHE A 90 -0.999 6.505 10.908 1.00 0.00 C ATOM 1361 CD2 PHE A 90 -2.178 5.026 12.359 1.00 0.00 C ATOM 1362 CE1 PHE A 90 -0.314 5.433 10.368 1.00 0.00 C ATOM 1363 CE2 PHE A 90 -1.496 3.950 11.823 1.00 0.00 C ATOM 1364 CZ PHE A 90 -0.561 4.154 10.827 1.00 0.00 C ATOM 0 H PHE A 90 -2.858 10.241 13.459 1.00 0.00 H new ATOM 0 HA PHE A 90 -1.198 7.885 13.993 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -3.462 7.107 13.157 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -3.180 8.023 11.690 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -0.800 7.503 10.546 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -2.907 4.861 13.139 1.00 0.00 H new ATOM 0 HE1 PHE A 90 0.414 5.595 9.587 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -1.694 2.951 12.182 1.00 0.00 H new ATOM 0 HZ PHE A 90 -0.024 3.315 10.408 1.00 0.00 H new ATOM 1374 N ASN A 91 0.459 8.870 12.456 1.00 0.00 N ATOM 1375 CA ASN A 91 1.476 9.478 11.606 1.00 0.00 C ATOM 1376 C ASN A 91 2.435 8.422 11.065 1.00 0.00 C ATOM 1377 O ASN A 91 3.201 7.821 11.818 1.00 0.00 O ATOM 1378 CB ASN A 91 2.255 10.539 12.385 1.00 0.00 C ATOM 1379 CG ASN A 91 1.575 11.895 12.354 1.00 0.00 C ATOM 1380 OD1 ASN A 91 0.593 12.125 13.060 1.00 0.00 O ATOM 1381 ND2 ASN A 91 2.096 12.799 11.534 1.00 0.00 N ATOM 0 H ASN A 91 0.825 8.223 13.154 1.00 0.00 H new ATOM 0 HA ASN A 91 0.973 9.953 10.764 1.00 0.00 H new ATOM 0 HB2 ASN A 91 2.368 10.216 13.420 1.00 0.00 H new ATOM 0 HB3 ASN A 91 3.258 10.629 11.968 1.00 0.00 H new ATOM 0 HD21 ASN A 91 1.682 13.729 11.470 1.00 0.00 H new ATOM 0 HD22 ASN A 91 2.911 12.564 10.967 1.00 0.00 H new ATOM 1388 N TRP A 92 2.387 8.202 9.756 1.00 0.00 N ATOM 1389 CA TRP A 92 3.252 7.219 9.114 1.00 0.00 C ATOM 1390 C TRP A 92 4.704 7.412 9.539 1.00 0.00 C ATOM 1391 O TRP A 92 5.249 6.610 10.297 1.00 0.00 O ATOM 1392 CB TRP A 92 3.135 7.323 7.592 1.00 0.00 C ATOM 1393 CG TRP A 92 2.065 6.445 7.018 1.00 0.00 C ATOM 1394 CD1 TRP A 92 0.860 6.844 6.513 1.00 0.00 C ATOM 1395 CD2 TRP A 92 2.103 5.019 6.891 1.00 0.00 C ATOM 1396 NE1 TRP A 92 0.147 5.752 6.080 1.00 0.00 N ATOM 1397 CE2 TRP A 92 0.888 4.621 6.300 1.00 0.00 C ATOM 1398 CE3 TRP A 92 3.046 4.041 7.217 1.00 0.00 C ATOM 1399 CZ2 TRP A 92 0.593 3.287 6.031 1.00 0.00 C ATOM 1400 CZ3 TRP A 92 2.751 2.717 6.949 1.00 0.00 C ATOM 1401 CH2 TRP A 92 1.534 2.350 6.360 1.00 0.00 C ATOM 0 H TRP A 92 1.758 8.691 9.119 1.00 0.00 H new ATOM 0 HA TRP A 92 2.929 6.227 9.429 1.00 0.00 H new ATOM 0 HB2 TRP A 92 2.930 8.359 7.320 1.00 0.00 H new ATOM 0 HB3 TRP A 92 4.092 7.059 7.142 1.00 0.00 H new ATOM 0 HD1 TRP A 92 0.518 7.867 6.462 1.00 0.00 H new ATOM 0 HE1 TRP A 92 -0.783 5.779 5.662 1.00 0.00 H new ATOM 0 HE3 TRP A 92 3.988 4.314 7.670 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 -0.345 3.002 5.579 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 3.472 1.952 7.198 1.00 0.00 H new ATOM 0 HH2 TRP A 92 1.335 1.307 6.162 1.00 0.00 H new ATOM 1412 N GLN A 93 5.324 8.479 9.045 1.00 0.00 N ATOM 1413 CA GLN A 93 6.713 8.775 9.374 1.00 0.00 C ATOM 1414 C GLN A 93 6.997 8.487 10.845 1.00 0.00 C ATOM 1415 O GLN A 93 8.020 7.892 11.186 1.00 0.00 O ATOM 1416 CB GLN A 93 7.034 10.237 9.058 1.00 0.00 C ATOM 1417 CG GLN A 93 5.986 11.214 9.566 1.00 0.00 C ATOM 1418 CD GLN A 93 6.071 12.566 8.886 1.00 0.00 C ATOM 1419 OE1 GLN A 93 6.418 13.568 9.513 1.00 0.00 O ATOM 1420 NE2 GLN A 93 5.753 12.602 7.597 1.00 0.00 N ATOM 0 H GLN A 93 4.887 9.152 8.416 1.00 0.00 H new ATOM 0 HA GLN A 93 7.349 8.131 8.766 1.00 0.00 H new ATOM 0 HB2 GLN A 93 7.999 10.491 9.497 1.00 0.00 H new ATOM 0 HB3 GLN A 93 7.134 10.353 7.979 1.00 0.00 H new ATOM 0 HG2 GLN A 93 4.994 10.793 9.406 1.00 0.00 H new ATOM 0 HG3 GLN A 93 6.107 11.344 10.641 1.00 0.00 H new ATOM 0 HE21 GLN A 93 5.471 11.747 7.117 1.00 0.00 H new ATOM 0 HE22 GLN A 93 5.791 13.484 7.087 1.00 0.00 H new ATOM 1429 N THR A 94 6.085 8.913 11.713 1.00 0.00 N ATOM 1430 CA THR A 94 6.238 8.702 13.147 1.00 0.00 C ATOM 1431 C THR A 94 6.193 7.218 13.493 1.00 0.00 C ATOM 1432 O THR A 94 6.905 6.757 14.386 1.00 0.00 O ATOM 1433 CB THR A 94 5.143 9.436 13.943 1.00 0.00 C ATOM 1434 OG1 THR A 94 5.031 10.790 13.488 1.00 0.00 O ATOM 1435 CG2 THR A 94 5.453 9.421 15.432 1.00 0.00 C ATOM 0 H THR A 94 5.233 9.406 11.448 1.00 0.00 H new ATOM 0 HA THR A 94 7.211 9.107 13.423 1.00 0.00 H new ATOM 0 HB THR A 94 4.198 8.918 13.780 1.00 0.00 H new ATOM 0 HG1 THR A 94 4.332 11.250 13.998 1.00 0.00 H new ATOM 0 HG21 THR A 94 4.665 9.945 15.973 1.00 0.00 H new ATOM 0 HG22 THR A 94 5.509 8.390 15.782 1.00 0.00 H new ATOM 0 HG23 THR A 94 6.407 9.917 15.610 1.00 0.00 H new ATOM 1443 N TYR A 95 5.353 6.475 12.781 1.00 0.00 N ATOM 1444 CA TYR A 95 5.214 5.042 13.014 1.00 0.00 C ATOM 1445 C TYR A 95 6.349 4.270 12.348 1.00 0.00 C ATOM 1446 O TYR A 95 6.674 3.151 12.749 1.00 0.00 O ATOM 1447 CB TYR A 95 3.867 4.547 12.487 1.00 0.00 C ATOM 1448 CG TYR A 95 3.720 3.043 12.518 1.00 0.00 C ATOM 1449 CD1 TYR A 95 4.209 2.299 13.585 1.00 0.00 C ATOM 1450 CD2 TYR A 95 3.092 2.365 11.480 1.00 0.00 C ATOM 1451 CE1 TYR A 95 4.078 0.924 13.617 1.00 0.00 C ATOM 1452 CE2 TYR A 95 2.955 0.990 11.505 1.00 0.00 C ATOM 1453 CZ TYR A 95 3.450 0.274 12.575 1.00 0.00 C ATOM 1454 OH TYR A 95 3.317 -1.095 12.604 1.00 0.00 O ATOM 0 H TYR A 95 4.758 6.841 12.038 1.00 0.00 H new ATOM 0 HA TYR A 95 5.262 4.868 14.089 1.00 0.00 H new ATOM 0 HB2 TYR A 95 3.068 4.994 13.079 1.00 0.00 H new ATOM 0 HB3 TYR A 95 3.737 4.895 11.462 1.00 0.00 H new ATOM 0 HD1 TYR A 95 4.700 2.804 14.403 1.00 0.00 H new ATOM 0 HD2 TYR A 95 2.705 2.922 10.640 1.00 0.00 H new ATOM 0 HE1 TYR A 95 4.465 0.361 14.453 1.00 0.00 H new ATOM 0 HE2 TYR A 95 2.463 0.479 10.691 1.00 0.00 H new ATOM 0 HH TYR A 95 2.370 -1.330 12.696 1.00 0.00 H new ATOM 1464 N LEU A 96 6.948 4.874 11.328 1.00 0.00 N ATOM 1465 CA LEU A 96 8.048 4.245 10.605 1.00 0.00 C ATOM 1466 C LEU A 96 9.386 4.559 11.267 1.00 0.00 C ATOM 1467 O LEU A 96 10.400 3.927 10.972 1.00 0.00 O ATOM 1468 CB LEU A 96 8.063 4.716 9.149 1.00 0.00 C ATOM 1469 CG LEU A 96 6.754 4.548 8.376 1.00 0.00 C ATOM 1470 CD1 LEU A 96 6.620 5.628 7.314 1.00 0.00 C ATOM 1471 CD2 LEU A 96 6.681 3.165 7.746 1.00 0.00 C ATOM 0 H LEU A 96 6.691 5.799 10.983 1.00 0.00 H new ATOM 0 HA LEU A 96 7.896 3.166 10.630 1.00 0.00 H new ATOM 0 HB2 LEU A 96 8.339 5.770 9.132 1.00 0.00 H new ATOM 0 HB3 LEU A 96 8.846 4.173 8.620 1.00 0.00 H new ATOM 0 HG LEU A 96 5.924 4.650 9.076 1.00 0.00 H new ATOM 0 HD11 LEU A 96 5.683 5.493 6.774 1.00 0.00 H new ATOM 0 HD12 LEU A 96 6.627 6.609 7.790 1.00 0.00 H new ATOM 0 HD13 LEU A 96 7.454 5.558 6.616 1.00 0.00 H new ATOM 0 HD21 LEU A 96 5.743 3.063 7.200 1.00 0.00 H new ATOM 0 HD22 LEU A 96 7.517 3.034 7.059 1.00 0.00 H new ATOM 0 HD23 LEU A 96 6.731 2.406 8.527 1.00 0.00 H new ATOM 1483 N LYS A 97 9.380 5.538 12.164 1.00 0.00 N ATOM 1484 CA LYS A 97 10.591 5.935 12.872 1.00 0.00 C ATOM 1485 C LYS A 97 10.673 5.256 14.235 1.00 0.00 C ATOM 1486 O LYS A 97 11.758 4.914 14.707 1.00 0.00 O ATOM 1487 CB LYS A 97 10.631 7.455 13.045 1.00 0.00 C ATOM 1488 CG LYS A 97 9.879 7.948 14.269 1.00 0.00 C ATOM 1489 CD LYS A 97 10.781 8.010 15.490 1.00 0.00 C ATOM 1490 CE LYS A 97 11.458 9.367 15.614 1.00 0.00 C ATOM 1491 NZ LYS A 97 10.601 10.351 16.331 1.00 0.00 N ATOM 0 H LYS A 97 8.549 6.072 12.418 1.00 0.00 H new ATOM 0 HA LYS A 97 11.448 5.620 12.277 1.00 0.00 H new ATOM 0 HB2 LYS A 97 11.670 7.777 13.113 1.00 0.00 H new ATOM 0 HB3 LYS A 97 10.209 7.925 12.156 1.00 0.00 H new ATOM 0 HG2 LYS A 97 9.466 8.937 14.070 1.00 0.00 H new ATOM 0 HG3 LYS A 97 9.037 7.286 14.471 1.00 0.00 H new ATOM 0 HD2 LYS A 97 10.195 7.811 16.387 1.00 0.00 H new ATOM 0 HD3 LYS A 97 11.538 7.229 15.424 1.00 0.00 H new ATOM 0 HE2 LYS A 97 12.403 9.254 16.145 1.00 0.00 H new ATOM 0 HE3 LYS A 97 11.694 9.747 14.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 11.098 11.262 16.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 9.709 10.478 15.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 10.397 10.000 17.289 1.00 0.00 H new ATOM 1505 N THR A 98 9.518 5.060 14.864 1.00 0.00 N ATOM 1506 CA THR A 98 9.458 4.421 16.172 1.00 0.00 C ATOM 1507 C THR A 98 9.766 2.931 16.071 1.00 0.00 C ATOM 1508 O THR A 98 10.333 2.341 16.991 1.00 0.00 O ATOM 1509 CB THR A 98 8.076 4.605 16.825 1.00 0.00 C ATOM 1510 OG1 THR A 98 8.172 4.406 18.240 1.00 0.00 O ATOM 1511 CG2 THR A 98 7.066 3.630 16.239 1.00 0.00 C ATOM 0 H THR A 98 8.611 5.335 14.488 1.00 0.00 H new ATOM 0 HA THR A 98 10.212 4.904 16.794 1.00 0.00 H new ATOM 0 HB THR A 98 7.736 5.621 16.623 1.00 0.00 H new ATOM 0 HG1 THR A 98 7.289 4.526 18.648 1.00 0.00 H new ATOM 0 HG21 THR A 98 6.097 3.779 16.716 1.00 0.00 H new ATOM 0 HG22 THR A 98 6.973 3.803 15.167 1.00 0.00 H new ATOM 0 HG23 THR A 98 7.403 2.608 16.414 1.00 0.00 H new ATOM 1519 N CYS A 99 9.388 2.329 14.949 1.00 0.00 N ATOM 1520 CA CYS A 99 9.623 0.907 14.727 1.00 0.00 C ATOM 1521 C CYS A 99 10.759 0.692 13.732 1.00 0.00 C ATOM 1522 O CYS A 99 10.959 -0.415 13.231 1.00 0.00 O ATOM 1523 CB CYS A 99 8.349 0.231 14.219 1.00 0.00 C ATOM 1524 SG CYS A 99 7.140 -0.133 15.514 1.00 0.00 S ATOM 0 H CYS A 99 8.917 2.804 14.179 1.00 0.00 H new ATOM 0 HA CYS A 99 9.908 0.459 15.679 1.00 0.00 H new ATOM 0 HB2 CYS A 99 7.883 0.873 13.472 1.00 0.00 H new ATOM 0 HB3 CYS A 99 8.619 -0.698 13.717 1.00 0.00 H new ATOM 0 HG CYS A 99 6.097 -0.701 14.986 1.00 0.00 H new ATOM 1530 N LYS A 100 11.499 1.758 13.448 1.00 0.00 N ATOM 1531 CA LYS A 100 12.615 1.688 12.512 1.00 0.00 C ATOM 1532 C LYS A 100 12.239 0.876 11.277 1.00 0.00 C ATOM 1533 O LYS A 100 12.971 -0.024 10.868 1.00 0.00 O ATOM 1534 CB LYS A 100 13.838 1.068 13.190 1.00 0.00 C ATOM 1535 CG LYS A 100 14.195 1.719 14.515 1.00 0.00 C ATOM 1536 CD LYS A 100 13.440 1.083 15.671 1.00 0.00 C ATOM 1537 CE LYS A 100 14.229 -0.060 16.290 1.00 0.00 C ATOM 1538 NZ LYS A 100 15.360 0.434 17.123 1.00 0.00 N ATOM 0 H LYS A 100 11.346 2.682 13.853 1.00 0.00 H new ATOM 0 HA LYS A 100 12.857 2.703 12.198 1.00 0.00 H new ATOM 0 HB2 LYS A 100 13.652 0.007 13.355 1.00 0.00 H new ATOM 0 HB3 LYS A 100 14.692 1.142 12.517 1.00 0.00 H new ATOM 0 HG2 LYS A 100 15.268 1.631 14.687 1.00 0.00 H new ATOM 0 HG3 LYS A 100 13.966 2.784 14.472 1.00 0.00 H new ATOM 0 HD2 LYS A 100 13.233 1.837 16.431 1.00 0.00 H new ATOM 0 HD3 LYS A 100 12.477 0.713 15.319 1.00 0.00 H new ATOM 0 HE2 LYS A 100 13.565 -0.669 16.903 1.00 0.00 H new ATOM 0 HE3 LYS A 100 14.614 -0.705 15.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 15.745 -0.351 17.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 16.105 0.816 16.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 15.021 1.183 17.760 1.00 0.00 H new ATOM 1552 N ALA A 101 11.094 1.202 10.686 1.00 0.00 N ATOM 1553 CA ALA A 101 10.623 0.505 9.496 1.00 0.00 C ATOM 1554 C ALA A 101 10.627 1.427 8.282 1.00 0.00 C ATOM 1555 O ALA A 101 10.614 2.650 8.421 1.00 0.00 O ATOM 1556 CB ALA A 101 9.228 -0.056 9.730 1.00 0.00 C ATOM 0 H ALA A 101 10.476 1.945 11.012 1.00 0.00 H new ATOM 0 HA ALA A 101 11.306 -0.321 9.295 1.00 0.00 H new ATOM 0 HB1 ALA A 101 8.889 -0.574 8.833 1.00 0.00 H new ATOM 0 HB2 ALA A 101 9.253 -0.756 10.565 1.00 0.00 H new ATOM 0 HB3 ALA A 101 8.542 0.759 9.960 1.00 0.00 H new ATOM 1562 N GLN A 102 10.647 0.833 7.093 1.00 0.00 N ATOM 1563 CA GLN A 102 10.654 1.604 5.855 1.00 0.00 C ATOM 1564 C GLN A 102 9.355 1.404 5.081 1.00 0.00 C ATOM 1565 O GLN A 102 8.673 0.392 5.245 1.00 0.00 O ATOM 1566 CB GLN A 102 11.847 1.200 4.986 1.00 0.00 C ATOM 1567 CG GLN A 102 11.678 -0.152 4.312 1.00 0.00 C ATOM 1568 CD GLN A 102 12.972 -0.674 3.718 1.00 0.00 C ATOM 1569 OE1 GLN A 102 13.891 -1.055 4.442 1.00 0.00 O ATOM 1570 NE2 GLN A 102 13.049 -0.693 2.392 1.00 0.00 N ATOM 0 H GLN A 102 10.659 -0.178 6.961 1.00 0.00 H new ATOM 0 HA GLN A 102 10.742 2.659 6.114 1.00 0.00 H new ATOM 0 HB2 GLN A 102 12.003 1.961 4.221 1.00 0.00 H new ATOM 0 HB3 GLN A 102 12.745 1.179 5.603 1.00 0.00 H new ATOM 0 HG2 GLN A 102 11.300 -0.871 5.039 1.00 0.00 H new ATOM 0 HG3 GLN A 102 10.928 -0.070 3.525 1.00 0.00 H new ATOM 0 HE21 GLN A 102 12.262 -0.367 1.831 1.00 0.00 H new ATOM 0 HE22 GLN A 102 13.895 -1.033 1.935 1.00 0.00 H new ATOM 1579 N ALA A 103 9.018 2.375 4.239 1.00 0.00 N ATOM 1580 CA ALA A 103 7.802 2.304 3.439 1.00 0.00 C ATOM 1581 C ALA A 103 8.085 1.717 2.060 1.00 0.00 C ATOM 1582 O ALA A 103 9.171 1.897 1.509 1.00 0.00 O ATOM 1583 CB ALA A 103 7.175 3.684 3.309 1.00 0.00 C ATOM 0 H ALA A 103 9.570 3.220 4.093 1.00 0.00 H new ATOM 0 HA ALA A 103 7.100 1.644 3.948 1.00 0.00 H new ATOM 0 HB1 ALA A 103 6.268 3.616 2.709 1.00 0.00 H new ATOM 0 HB2 ALA A 103 6.928 4.066 4.299 1.00 0.00 H new ATOM 0 HB3 ALA A 103 7.880 4.360 2.825 1.00 0.00 H new ATOM 1589 N ALA A 104 7.101 1.015 1.508 1.00 0.00 N ATOM 1590 CA ALA A 104 7.245 0.403 0.193 1.00 0.00 C ATOM 1591 C ALA A 104 7.412 1.463 -0.891 1.00 0.00 C ATOM 1592 O ALA A 104 6.814 2.538 -0.839 1.00 0.00 O ATOM 1593 CB ALA A 104 6.044 -0.481 -0.112 1.00 0.00 C ATOM 0 H ALA A 104 6.196 0.856 1.951 1.00 0.00 H new ATOM 0 HA ALA A 104 8.144 -0.214 0.203 1.00 0.00 H new ATOM 0 HB1 ALA A 104 6.165 -0.932 -1.097 1.00 0.00 H new ATOM 0 HB2 ALA A 104 5.970 -1.267 0.640 1.00 0.00 H new ATOM 0 HB3 ALA A 104 5.136 0.121 -0.098 1.00 0.00 H new ATOM 1599 N PRO A 105 8.244 1.156 -1.897 1.00 0.00 N ATOM 1600 CA PRO A 105 8.509 2.070 -3.012 1.00 0.00 C ATOM 1601 C PRO A 105 7.302 2.230 -3.930 1.00 0.00 C ATOM 1602 O PRO A 105 6.701 1.245 -4.360 1.00 0.00 O ATOM 1603 CB PRO A 105 9.662 1.393 -3.758 1.00 0.00 C ATOM 1604 CG PRO A 105 9.533 -0.053 -3.425 1.00 0.00 C ATOM 1605 CD PRO A 105 8.990 -0.108 -2.024 1.00 0.00 C ATOM 0 HA PRO A 105 8.739 3.078 -2.667 1.00 0.00 H new ATOM 0 HB2 PRO A 105 9.590 1.559 -4.833 1.00 0.00 H new ATOM 0 HB3 PRO A 105 10.626 1.788 -3.438 1.00 0.00 H new ATOM 0 HG2 PRO A 105 8.864 -0.556 -4.123 1.00 0.00 H new ATOM 0 HG3 PRO A 105 10.498 -0.556 -3.490 1.00 0.00 H new ATOM 0 HD2 PRO A 105 8.343 -0.973 -1.878 1.00 0.00 H new ATOM 0 HD3 PRO A 105 9.789 -0.179 -1.286 1.00 0.00 H new ATOM 1613 N LYS A 106 6.951 3.477 -4.226 1.00 0.00 N ATOM 1614 CA LYS A 106 5.817 3.767 -5.094 1.00 0.00 C ATOM 1615 C LYS A 106 6.013 3.146 -6.473 1.00 0.00 C ATOM 1616 O LYS A 106 5.091 3.114 -7.288 1.00 0.00 O ATOM 1617 CB LYS A 106 5.624 5.279 -5.228 1.00 0.00 C ATOM 1618 CG LYS A 106 6.637 5.943 -6.144 1.00 0.00 C ATOM 1619 CD LYS A 106 7.855 6.423 -5.374 1.00 0.00 C ATOM 1620 CE LYS A 106 8.974 5.393 -5.402 1.00 0.00 C ATOM 1621 NZ LYS A 106 9.901 5.612 -6.546 1.00 0.00 N ATOM 0 H LYS A 106 7.436 4.303 -3.877 1.00 0.00 H new ATOM 0 HA LYS A 106 4.926 3.331 -4.642 1.00 0.00 H new ATOM 0 HB2 LYS A 106 4.621 5.477 -5.606 1.00 0.00 H new ATOM 0 HB3 LYS A 106 5.688 5.734 -4.240 1.00 0.00 H new ATOM 0 HG2 LYS A 106 6.948 5.239 -6.916 1.00 0.00 H new ATOM 0 HG3 LYS A 106 6.171 6.787 -6.652 1.00 0.00 H new ATOM 0 HD2 LYS A 106 8.211 7.360 -5.802 1.00 0.00 H new ATOM 0 HD3 LYS A 106 7.575 6.630 -4.341 1.00 0.00 H new ATOM 0 HE2 LYS A 106 9.533 5.439 -4.468 1.00 0.00 H new ATOM 0 HE3 LYS A 106 8.545 4.393 -5.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 10.649 4.890 -6.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 9.373 5.543 -7.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 10.330 6.556 -6.470 1.00 0.00 H new ATOM 1635 N SER A 107 7.221 2.651 -6.728 1.00 0.00 N ATOM 1636 CA SER A 107 7.539 2.032 -8.009 1.00 0.00 C ATOM 1637 C SER A 107 6.760 0.734 -8.194 1.00 0.00 C ATOM 1638 O SER A 107 6.374 0.380 -9.309 1.00 0.00 O ATOM 1639 CB SER A 107 9.041 1.758 -8.108 1.00 0.00 C ATOM 1640 OG SER A 107 9.729 2.872 -8.648 1.00 0.00 O ATOM 0 H SER A 107 7.995 2.667 -6.064 1.00 0.00 H new ATOM 0 HA SER A 107 7.250 2.724 -8.800 1.00 0.00 H new ATOM 0 HB2 SER A 107 9.437 1.526 -7.119 1.00 0.00 H new ATOM 0 HB3 SER A 107 9.213 0.882 -8.734 1.00 0.00 H new ATOM 0 HG SER A 107 10.687 2.672 -8.699 1.00 0.00 H new ATOM 1646 N LEU A 108 6.531 0.027 -7.092 1.00 0.00 N ATOM 1647 CA LEU A 108 5.797 -1.234 -7.131 1.00 0.00 C ATOM 1648 C LEU A 108 4.397 -1.032 -7.701 1.00 0.00 C ATOM 1649 O LEU A 108 3.761 -1.979 -8.163 1.00 0.00 O ATOM 1650 CB LEU A 108 5.707 -1.837 -5.728 1.00 0.00 C ATOM 1651 CG LEU A 108 6.953 -2.573 -5.233 1.00 0.00 C ATOM 1652 CD1 LEU A 108 6.907 -2.743 -3.722 1.00 0.00 C ATOM 1653 CD2 LEU A 108 7.081 -3.925 -5.920 1.00 0.00 C ATOM 0 H LEU A 108 6.843 0.305 -6.161 1.00 0.00 H new ATOM 0 HA LEU A 108 6.338 -1.921 -7.782 1.00 0.00 H new ATOM 0 HB2 LEU A 108 5.479 -1.037 -5.024 1.00 0.00 H new ATOM 0 HB3 LEU A 108 4.867 -2.531 -5.706 1.00 0.00 H new ATOM 0 HG LEU A 108 7.829 -1.975 -5.484 1.00 0.00 H new ATOM 0 HD11 LEU A 108 7.801 -3.269 -3.388 1.00 0.00 H new ATOM 0 HD12 LEU A 108 6.863 -1.763 -3.247 1.00 0.00 H new ATOM 0 HD13 LEU A 108 6.024 -3.319 -3.447 1.00 0.00 H new ATOM 0 HD21 LEU A 108 7.973 -4.435 -5.556 1.00 0.00 H new ATOM 0 HD22 LEU A 108 6.202 -4.530 -5.699 1.00 0.00 H new ATOM 0 HD23 LEU A 108 7.160 -3.780 -6.997 1.00 0.00 H new ATOM 1665 N PHE A 109 3.923 0.209 -7.666 1.00 0.00 N ATOM 1666 CA PHE A 109 2.598 0.536 -8.180 1.00 0.00 C ATOM 1667 C PHE A 109 2.700 1.352 -9.466 1.00 0.00 C ATOM 1668 O PHE A 109 2.121 2.432 -9.575 1.00 0.00 O ATOM 1669 CB PHE A 109 1.799 1.313 -7.132 1.00 0.00 C ATOM 1670 CG PHE A 109 1.956 0.776 -5.739 1.00 0.00 C ATOM 1671 CD1 PHE A 109 3.126 0.990 -5.027 1.00 0.00 C ATOM 1672 CD2 PHE A 109 0.935 0.056 -5.140 1.00 0.00 C ATOM 1673 CE1 PHE A 109 3.273 0.496 -3.745 1.00 0.00 C ATOM 1674 CE2 PHE A 109 1.076 -0.440 -3.858 1.00 0.00 C ATOM 1675 CZ PHE A 109 2.247 -0.219 -3.159 1.00 0.00 C ATOM 0 H PHE A 109 4.437 1.005 -7.287 1.00 0.00 H new ATOM 0 HA PHE A 109 2.081 -0.397 -8.402 1.00 0.00 H new ATOM 0 HB2 PHE A 109 2.113 2.357 -7.148 1.00 0.00 H new ATOM 0 HB3 PHE A 109 0.744 1.293 -7.403 1.00 0.00 H new ATOM 0 HD1 PHE A 109 3.932 1.549 -5.479 1.00 0.00 H new ATOM 0 HD2 PHE A 109 0.017 -0.120 -5.682 1.00 0.00 H new ATOM 0 HE1 PHE A 109 4.190 0.669 -3.201 1.00 0.00 H new ATOM 0 HE2 PHE A 109 0.272 -1.000 -3.403 1.00 0.00 H new ATOM 0 HZ PHE A 109 2.360 -0.605 -2.156 1.00 0.00 H new ATOM 1685 N GLU A 110 3.441 0.826 -10.436 1.00 0.00 N ATOM 1686 CA GLU A 110 3.620 1.506 -11.714 1.00 0.00 C ATOM 1687 C GLU A 110 2.275 1.748 -12.394 1.00 0.00 C ATOM 1688 O GLU A 110 2.020 2.831 -12.919 1.00 0.00 O ATOM 1689 CB GLU A 110 4.527 0.684 -12.632 1.00 0.00 C ATOM 1690 CG GLU A 110 6.006 0.987 -12.457 1.00 0.00 C ATOM 1691 CD GLU A 110 6.465 2.157 -13.305 1.00 0.00 C ATOM 1692 OE1 GLU A 110 6.815 1.934 -14.483 1.00 0.00 O ATOM 1693 OE2 GLU A 110 6.476 3.295 -12.791 1.00 0.00 O ATOM 0 H GLU A 110 3.927 -0.068 -10.362 1.00 0.00 H new ATOM 0 HA GLU A 110 4.089 2.471 -11.521 1.00 0.00 H new ATOM 0 HB2 GLU A 110 4.357 -0.376 -12.442 1.00 0.00 H new ATOM 0 HB3 GLU A 110 4.247 0.871 -13.668 1.00 0.00 H new ATOM 0 HG2 GLU A 110 6.207 1.202 -11.408 1.00 0.00 H new ATOM 0 HG3 GLU A 110 6.588 0.103 -12.718 1.00 0.00 H new ATOM 1700 N ASN A 111 1.420 0.731 -12.380 1.00 0.00 N ATOM 1701 CA ASN A 111 0.102 0.833 -12.996 1.00 0.00 C ATOM 1702 C ASN A 111 -0.761 1.859 -12.269 1.00 0.00 C ATOM 1703 O ASN A 111 -1.317 2.766 -12.887 1.00 0.00 O ATOM 1704 CB ASN A 111 -0.593 -0.531 -12.991 1.00 0.00 C ATOM 1705 CG ASN A 111 0.334 -1.654 -13.415 1.00 0.00 C ATOM 1706 OD1 ASN A 111 0.819 -2.421 -12.584 1.00 0.00 O ATOM 1707 ND2 ASN A 111 0.584 -1.754 -14.716 1.00 0.00 N ATOM 0 H ASN A 111 1.616 -0.173 -11.949 1.00 0.00 H new ATOM 0 HA ASN A 111 0.235 1.162 -14.027 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -0.975 -0.737 -11.991 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -1.452 -0.500 -13.661 1.00 0.00 H new ATOM 0 HD21 ASN A 111 1.200 -2.489 -15.062 1.00 0.00 H new ATOM 0 HD22 ASN A 111 0.159 -1.095 -15.369 1.00 0.00 H new ATOM 1714 N GLN A 112 -0.868 1.707 -10.953 1.00 0.00 N ATOM 1715 CA GLN A 112 -1.663 2.621 -10.141 1.00 0.00 C ATOM 1716 C GLN A 112 -1.574 4.045 -10.679 1.00 0.00 C ATOM 1717 O GLN A 112 -2.590 4.674 -10.970 1.00 0.00 O ATOM 1718 CB GLN A 112 -1.196 2.583 -8.685 1.00 0.00 C ATOM 1719 CG GLN A 112 -1.704 1.374 -7.915 1.00 0.00 C ATOM 1720 CD GLN A 112 -1.190 0.064 -8.480 1.00 0.00 C ATOM 1721 OE1 GLN A 112 -0.351 -0.600 -7.872 1.00 0.00 O ATOM 1722 NE2 GLN A 112 -1.694 -0.315 -9.648 1.00 0.00 N ATOM 0 H GLN A 112 -0.415 0.960 -10.427 1.00 0.00 H new ATOM 0 HA GLN A 112 -2.703 2.298 -10.189 1.00 0.00 H new ATOM 0 HB2 GLN A 112 -0.106 2.587 -8.661 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -1.529 3.490 -8.181 1.00 0.00 H new ATOM 0 HG2 GLN A 112 -1.401 1.459 -6.871 1.00 0.00 H new ATOM 0 HG3 GLN A 112 -2.794 1.369 -7.931 1.00 0.00 H new ATOM 0 HE21 GLN A 112 -2.388 0.267 -10.117 1.00 0.00 H new ATOM 0 HE22 GLN A 112 -1.387 -1.188 -10.077 1.00 0.00 H new ATOM 1731 N ASN A 113 -0.350 4.548 -10.808 1.00 0.00 N ATOM 1732 CA ASN A 113 -0.128 5.899 -11.310 1.00 0.00 C ATOM 1733 C ASN A 113 1.281 6.044 -11.877 1.00 0.00 C ATOM 1734 O ASN A 113 2.215 5.381 -11.424 1.00 0.00 O ATOM 1735 CB ASN A 113 -0.348 6.923 -10.194 1.00 0.00 C ATOM 1736 CG ASN A 113 -1.802 7.017 -9.775 1.00 0.00 C ATOM 1737 OD1 ASN A 113 -2.634 7.567 -10.497 1.00 0.00 O ATOM 1738 ND2 ASN A 113 -2.116 6.480 -8.602 1.00 0.00 N ATOM 0 H ASN A 113 0.503 4.040 -10.572 1.00 0.00 H new ATOM 0 HA ASN A 113 -0.844 6.084 -12.111 1.00 0.00 H new ATOM 0 HB2 ASN A 113 0.259 6.652 -9.331 1.00 0.00 H new ATOM 0 HB3 ASN A 113 -0.005 7.902 -10.530 1.00 0.00 H new ATOM 0 HD21 ASN A 113 -3.079 6.514 -8.267 1.00 0.00 H new ATOM 0 HD22 ASN A 113 -1.394 6.034 -8.036 1.00 0.00 H new ATOM 1745 N ILE A 114 1.427 6.915 -12.870 1.00 0.00 N ATOM 1746 CA ILE A 114 2.721 7.148 -13.497 1.00 0.00 C ATOM 1747 C ILE A 114 3.525 8.191 -12.729 1.00 0.00 C ATOM 1748 O ILE A 114 3.046 9.297 -12.474 1.00 0.00 O ATOM 1749 CB ILE A 114 2.564 7.610 -14.958 1.00 0.00 C ATOM 1750 CG1 ILE A 114 1.803 6.559 -15.769 1.00 0.00 C ATOM 1751 CG2 ILE A 114 3.927 7.881 -15.578 1.00 0.00 C ATOM 1752 CD1 ILE A 114 0.303 6.756 -15.757 1.00 0.00 C ATOM 0 H ILE A 114 0.664 7.471 -13.257 1.00 0.00 H new ATOM 0 HA ILE A 114 3.255 6.198 -13.481 1.00 0.00 H new ATOM 0 HB ILE A 114 1.991 8.537 -14.971 1.00 0.00 H new ATOM 0 HG12 ILE A 114 2.156 6.582 -16.800 1.00 0.00 H new ATOM 0 HG13 ILE A 114 2.035 5.570 -15.374 1.00 0.00 H new ATOM 0 HG21 ILE A 114 3.799 8.207 -16.610 1.00 0.00 H new ATOM 0 HG22 ILE A 114 4.436 8.661 -15.012 1.00 0.00 H new ATOM 0 HG23 ILE A 114 4.524 6.969 -15.556 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -0.171 5.975 -16.352 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -0.063 6.704 -14.732 1.00 0.00 H new ATOM 0 HD13 ILE A 114 0.061 7.731 -16.179 1.00 0.00 H new ATOM 1764 N THR A 115 4.752 7.834 -12.364 1.00 0.00 N ATOM 1765 CA THR A 115 5.624 8.739 -11.626 1.00 0.00 C ATOM 1766 C THR A 115 5.888 10.016 -12.417 1.00 0.00 C ATOM 1767 O THR A 115 6.022 9.983 -13.640 1.00 0.00 O ATOM 1768 CB THR A 115 6.970 8.072 -11.286 1.00 0.00 C ATOM 1769 OG1 THR A 115 6.745 6.851 -10.572 1.00 0.00 O ATOM 1770 CG2 THR A 115 7.839 9.000 -10.452 1.00 0.00 C ATOM 0 H THR A 115 5.165 6.924 -12.568 1.00 0.00 H new ATOM 0 HA THR A 115 5.107 8.989 -10.699 1.00 0.00 H new ATOM 0 HB THR A 115 7.489 7.856 -12.220 1.00 0.00 H new ATOM 0 HG1 THR A 115 7.605 6.432 -10.361 1.00 0.00 H new ATOM 0 HG21 THR A 115 8.784 8.507 -10.225 1.00 0.00 H new ATOM 0 HG22 THR A 115 8.033 9.916 -11.010 1.00 0.00 H new ATOM 0 HG23 THR A 115 7.324 9.243 -9.523 1.00 0.00 H new ATOM 1778 N VAL A 116 5.962 11.139 -11.710 1.00 0.00 N ATOM 1779 CA VAL A 116 6.212 12.427 -12.347 1.00 0.00 C ATOM 1780 C VAL A 116 6.620 13.477 -11.320 1.00 0.00 C ATOM 1781 O VAL A 116 6.162 13.454 -10.178 1.00 0.00 O ATOM 1782 CB VAL A 116 4.972 12.926 -13.110 1.00 0.00 C ATOM 1783 CG1 VAL A 116 3.811 13.152 -12.154 1.00 0.00 C ATOM 1784 CG2 VAL A 116 5.295 14.199 -13.879 1.00 0.00 C ATOM 0 H VAL A 116 5.853 11.183 -10.697 1.00 0.00 H new ATOM 0 HA VAL A 116 7.028 12.278 -13.054 1.00 0.00 H new ATOM 0 HB VAL A 116 4.677 12.160 -13.827 1.00 0.00 H new ATOM 0 HG11 VAL A 116 2.944 13.505 -12.712 1.00 0.00 H new ATOM 0 HG12 VAL A 116 3.564 12.216 -11.653 1.00 0.00 H new ATOM 0 HG13 VAL A 116 4.092 13.898 -11.410 1.00 0.00 H new ATOM 0 HG21 VAL A 116 4.407 14.537 -14.412 1.00 0.00 H new ATOM 0 HG22 VAL A 116 5.617 14.973 -13.182 1.00 0.00 H new ATOM 0 HG23 VAL A 116 6.093 14.000 -14.594 1.00 0.00 H new ATOM 1794 N ILE A 117 7.484 14.398 -11.735 1.00 0.00 N ATOM 1795 CA ILE A 117 7.953 15.459 -10.852 1.00 0.00 C ATOM 1796 C ILE A 117 7.032 16.673 -10.914 1.00 0.00 C ATOM 1797 O ILE A 117 6.508 17.032 -11.968 1.00 0.00 O ATOM 1798 CB ILE A 117 9.386 15.896 -11.208 1.00 0.00 C ATOM 1799 CG1 ILE A 117 9.458 16.340 -12.670 1.00 0.00 C ATOM 1800 CG2 ILE A 117 10.366 14.764 -10.944 1.00 0.00 C ATOM 1801 CD1 ILE A 117 10.791 16.944 -13.054 1.00 0.00 C ATOM 0 H ILE A 117 7.873 14.431 -12.677 1.00 0.00 H new ATOM 0 HA ILE A 117 7.947 15.053 -9.840 1.00 0.00 H new ATOM 0 HB ILE A 117 9.660 16.741 -10.577 1.00 0.00 H new ATOM 0 HG12 ILE A 117 9.259 15.482 -13.312 1.00 0.00 H new ATOM 0 HG13 ILE A 117 8.670 17.069 -12.859 1.00 0.00 H new ATOM 0 HG21 ILE A 117 11.374 15.089 -11.201 1.00 0.00 H new ATOM 0 HG22 ILE A 117 10.330 14.490 -9.890 1.00 0.00 H new ATOM 0 HG23 ILE A 117 10.097 13.901 -11.552 1.00 0.00 H new ATOM 0 HD11 ILE A 117 10.769 17.236 -14.104 1.00 0.00 H new ATOM 0 HD12 ILE A 117 10.984 17.822 -12.437 1.00 0.00 H new ATOM 0 HD13 ILE A 117 11.582 16.210 -12.898 1.00 0.00 H new ATOM 1813 N PRO A 118 6.830 17.322 -9.757 1.00 0.00 N ATOM 1814 CA PRO A 118 5.974 18.507 -9.654 1.00 0.00 C ATOM 1815 C PRO A 118 6.583 19.724 -10.344 1.00 0.00 C ATOM 1816 O PRO A 118 7.759 19.720 -10.706 1.00 0.00 O ATOM 1817 CB PRO A 118 5.874 18.743 -8.145 1.00 0.00 C ATOM 1818 CG PRO A 118 7.110 18.129 -7.583 1.00 0.00 C ATOM 1819 CD PRO A 118 7.422 16.949 -8.462 1.00 0.00 C ATOM 0 HA PRO A 118 5.010 18.357 -10.141 1.00 0.00 H new ATOM 0 HB2 PRO A 118 5.820 19.807 -7.913 1.00 0.00 H new ATOM 0 HB3 PRO A 118 4.978 18.280 -7.730 1.00 0.00 H new ATOM 0 HG2 PRO A 118 7.934 18.843 -7.580 1.00 0.00 H new ATOM 0 HG3 PRO A 118 6.956 17.816 -6.550 1.00 0.00 H new ATOM 0 HD2 PRO A 118 8.496 16.782 -8.544 1.00 0.00 H new ATOM 0 HD3 PRO A 118 6.986 16.030 -8.071 1.00 0.00 H new ATOM 1827 N SER A 119 5.774 20.763 -10.522 1.00 0.00 N ATOM 1828 CA SER A 119 6.233 21.986 -11.172 1.00 0.00 C ATOM 1829 C SER A 119 6.869 22.933 -10.159 1.00 0.00 C ATOM 1830 O SER A 119 6.411 23.043 -9.023 1.00 0.00 O ATOM 1831 CB SER A 119 5.067 22.682 -11.877 1.00 0.00 C ATOM 1832 OG SER A 119 5.535 23.614 -12.836 1.00 0.00 O ATOM 0 H SER A 119 4.798 20.783 -10.226 1.00 0.00 H new ATOM 0 HA SER A 119 6.986 21.715 -11.912 1.00 0.00 H new ATOM 0 HB2 SER A 119 4.437 21.939 -12.365 1.00 0.00 H new ATOM 0 HB3 SER A 119 4.446 23.193 -11.141 1.00 0.00 H new ATOM 0 HG SER A 119 4.771 24.044 -13.274 1.00 0.00 H new ATOM 1838 N GLY A 120 7.928 23.617 -10.582 1.00 0.00 N ATOM 1839 CA GLY A 120 8.611 24.546 -9.701 1.00 0.00 C ATOM 1840 C GLY A 120 8.166 25.980 -9.914 1.00 0.00 C ATOM 1841 O GLY A 120 7.545 26.301 -10.927 1.00 0.00 O ATOM 0 H GLY A 120 8.325 23.544 -11.519 1.00 0.00 H new ATOM 0 HA2 GLY A 120 8.427 24.262 -8.665 1.00 0.00 H new ATOM 0 HA3 GLY A 120 9.686 24.474 -9.865 1.00 0.00 H new ATOM 1845 N PHE A 121 8.484 26.844 -8.956 1.00 0.00 N ATOM 1846 CA PHE A 121 8.111 28.252 -9.042 1.00 0.00 C ATOM 1847 C PHE A 121 8.942 29.095 -8.080 1.00 0.00 C ATOM 1848 O PHE A 121 9.174 28.703 -6.936 1.00 0.00 O ATOM 1849 CB PHE A 121 6.622 28.426 -8.735 1.00 0.00 C ATOM 1850 CG PHE A 121 6.116 29.817 -8.991 1.00 0.00 C ATOM 1851 CD1 PHE A 121 6.304 30.820 -8.054 1.00 0.00 C ATOM 1852 CD2 PHE A 121 5.453 30.121 -10.169 1.00 0.00 C ATOM 1853 CE1 PHE A 121 5.839 32.101 -8.288 1.00 0.00 C ATOM 1854 CE2 PHE A 121 4.985 31.400 -10.408 1.00 0.00 C ATOM 1855 CZ PHE A 121 5.180 32.391 -9.466 1.00 0.00 C ATOM 0 H PHE A 121 8.999 26.595 -8.111 1.00 0.00 H new ATOM 0 HA PHE A 121 8.308 28.593 -10.058 1.00 0.00 H new ATOM 0 HB2 PHE A 121 6.050 27.723 -9.340 1.00 0.00 H new ATOM 0 HB3 PHE A 121 6.442 28.169 -7.691 1.00 0.00 H new ATOM 0 HD1 PHE A 121 6.819 30.599 -7.131 1.00 0.00 H new ATOM 0 HD2 PHE A 121 5.300 29.350 -10.909 1.00 0.00 H new ATOM 0 HE1 PHE A 121 5.991 32.874 -7.550 1.00 0.00 H new ATOM 0 HE2 PHE A 121 4.468 31.624 -11.329 1.00 0.00 H new ATOM 0 HZ PHE A 121 4.817 33.391 -9.651 1.00 0.00 H new ATOM 1865 N SER A 122 9.389 30.254 -8.552 1.00 0.00 N ATOM 1866 CA SER A 122 10.198 31.151 -7.737 1.00 0.00 C ATOM 1867 C SER A 122 9.336 32.243 -7.111 1.00 0.00 C ATOM 1868 O SER A 122 8.591 32.935 -7.803 1.00 0.00 O ATOM 1869 CB SER A 122 11.307 31.782 -8.581 1.00 0.00 C ATOM 1870 OG SER A 122 12.195 30.796 -9.077 1.00 0.00 O ATOM 0 H SER A 122 9.204 30.594 -9.496 1.00 0.00 H new ATOM 0 HA SER A 122 10.650 30.565 -6.936 1.00 0.00 H new ATOM 0 HB2 SER A 122 10.867 32.331 -9.413 1.00 0.00 H new ATOM 0 HB3 SER A 122 11.860 32.504 -7.980 1.00 0.00 H new ATOM 0 HG SER A 122 12.893 31.225 -9.614 1.00 0.00 H new ATOM 1876 N GLY A 123 9.443 32.391 -5.793 1.00 0.00 N ATOM 1877 CA GLY A 123 8.668 33.400 -5.095 1.00 0.00 C ATOM 1878 C GLY A 123 9.350 34.753 -5.089 1.00 0.00 C ATOM 1879 O GLY A 123 10.575 34.855 -5.012 1.00 0.00 O ATOM 0 H GLY A 123 10.052 31.830 -5.197 1.00 0.00 H new ATOM 0 HA2 GLY A 123 7.689 33.492 -5.566 1.00 0.00 H new ATOM 0 HA3 GLY A 123 8.499 33.077 -4.068 1.00 0.00 H new ATOM 1883 N PRO A 124 8.548 35.825 -5.173 1.00 0.00 N ATOM 1884 CA PRO A 124 9.059 37.199 -5.179 1.00 0.00 C ATOM 1885 C PRO A 124 9.631 37.611 -3.828 1.00 0.00 C ATOM 1886 O PRO A 124 9.228 37.090 -2.787 1.00 0.00 O ATOM 1887 CB PRO A 124 7.822 38.036 -5.515 1.00 0.00 C ATOM 1888 CG PRO A 124 6.670 37.210 -5.057 1.00 0.00 C ATOM 1889 CD PRO A 124 7.079 35.778 -5.267 1.00 0.00 C ATOM 0 HA PRO A 124 9.880 37.325 -5.885 1.00 0.00 H new ATOM 0 HB2 PRO A 124 7.846 38.999 -5.006 1.00 0.00 H new ATOM 0 HB3 PRO A 124 7.762 38.242 -6.584 1.00 0.00 H new ATOM 0 HG2 PRO A 124 6.445 37.402 -4.008 1.00 0.00 H new ATOM 0 HG3 PRO A 124 5.770 37.446 -5.625 1.00 0.00 H new ATOM 0 HD2 PRO A 124 6.649 35.122 -4.510 1.00 0.00 H new ATOM 0 HD3 PRO A 124 6.750 35.404 -6.237 1.00 0.00 H new ATOM 1897 N SER A 125 10.573 38.549 -3.850 1.00 0.00 N ATOM 1898 CA SER A 125 11.203 39.029 -2.625 1.00 0.00 C ATOM 1899 C SER A 125 10.507 40.286 -2.113 1.00 0.00 C ATOM 1900 O SER A 125 9.927 41.047 -2.887 1.00 0.00 O ATOM 1901 CB SER A 125 12.686 39.316 -2.868 1.00 0.00 C ATOM 1902 OG SER A 125 13.340 39.674 -1.663 1.00 0.00 O ATOM 0 H SER A 125 10.917 38.992 -4.702 1.00 0.00 H new ATOM 0 HA SER A 125 11.110 38.250 -1.868 1.00 0.00 H new ATOM 0 HB2 SER A 125 13.164 38.436 -3.297 1.00 0.00 H new ATOM 0 HB3 SER A 125 12.789 40.122 -3.595 1.00 0.00 H new ATOM 0 HG SER A 125 14.287 39.851 -1.845 1.00 0.00 H new ATOM 1908 N SER A 126 10.570 40.497 -0.802 1.00 0.00 N ATOM 1909 CA SER A 126 9.943 41.660 -0.184 1.00 0.00 C ATOM 1910 C SER A 126 10.656 42.945 -0.597 1.00 0.00 C ATOM 1911 O SER A 126 11.850 42.938 -0.892 1.00 0.00 O ATOM 1912 CB SER A 126 9.955 41.523 1.339 1.00 0.00 C ATOM 1913 OG SER A 126 8.912 40.674 1.784 1.00 0.00 O ATOM 0 H SER A 126 11.049 39.878 -0.147 1.00 0.00 H new ATOM 0 HA SER A 126 8.910 41.711 -0.528 1.00 0.00 H new ATOM 0 HB2 SER A 126 10.916 41.124 1.664 1.00 0.00 H new ATOM 0 HB3 SER A 126 9.847 42.507 1.796 1.00 0.00 H new ATOM 0 HG SER A 126 8.943 40.602 2.761 1.00 0.00 H new ATOM 1919 N GLY A 127 9.912 44.047 -0.613 1.00 0.00 N ATOM 1920 CA GLY A 127 10.489 45.324 -0.991 1.00 0.00 C ATOM 1921 C GLY A 127 9.710 46.007 -2.098 1.00 0.00 C ATOM 1922 O GLY A 127 10.240 46.872 -2.796 1.00 0.00 O ATOM 0 H GLY A 127 8.922 44.078 -0.371 1.00 0.00 H new ATOM 0 HA2 GLY A 127 10.523 45.977 -0.119 1.00 0.00 H new ATOM 0 HA3 GLY A 127 11.518 45.172 -1.315 1.00 0.00 H new TER 1926 GLY A 127