USER MOD reduce.3.24.130724 H: found=0, std=0, add=513, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 513 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 13 TYR OH : rot 180:sc= -2.01! USER MOD Set 1.2: A 24 ASN : amide:sc= 0.102! C(o=-3.9!,f=-12!) USER MOD Set 1.3: A 46 ASN :FLIP amide:sc= -1.96 F(o=-5.8,f=-3.9) USER MOD Single : A 1 SER N :NH3+ -121:sc= 0.544 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0.204 USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=-0.038) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot 150:sc= -0.447 USER MOD Single : A 15 ASN :FLIP amide:sc= -3.31! C(o=-5.8!,f=-3.3!) USER MOD Single : A 17 ASN : amide:sc= -35! C(o=-35!,f=-41!) USER MOD Single : A 20 SER OG : rot -76:sc= 1.18 USER MOD Single : A 29 ASN : amide:sc= -0.412 K(o=-0.41,f=-2.4) USER MOD Single : A 31 THR OG1 : rot 180:sc= -1.93! USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -0.0299 X(o=-0.03,f=0) USER MOD Single : A 38 THR OG1 : rot 78:sc= -0.904! USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot -62:sc= -4.43! USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 MET CE :methyl -141:sc= -7.1! (180deg=-14.2!) USER MOD Single : A 66 LYS NZ :NH3+ 148:sc= -0.232 (180deg=-1.66!) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 16.693 -1.533 -0.472 1.00 0.00 N ATOM 2 CA SER A 1 15.354 -2.177 -0.497 1.00 0.00 C ATOM 3 C SER A 1 14.977 -2.717 0.878 1.00 0.00 C ATOM 4 O SER A 1 15.763 -3.415 1.520 1.00 0.00 O ATOM 5 CB SER A 1 15.378 -3.312 -1.522 1.00 0.00 C ATOM 6 OG SER A 1 16.697 -3.563 -1.976 1.00 0.00 O ATOM 0 H1 SER A 1 16.606 -0.539 -0.767 1.00 0.00 H new ATOM 0 H2 SER A 1 17.081 -1.576 0.492 1.00 0.00 H new ATOM 0 H3 SER A 1 17.331 -2.033 -1.124 1.00 0.00 H new ATOM 0 HA SER A 1 14.605 -1.435 -0.775 1.00 0.00 H new ATOM 0 HB2 SER A 1 14.965 -4.217 -1.076 1.00 0.00 H new ATOM 0 HB3 SER A 1 14.742 -3.055 -2.369 1.00 0.00 H new ATOM 0 HG SER A 1 16.685 -4.294 -2.629 1.00 0.00 H new ATOM 14 N ALA A 2 13.769 -2.390 1.324 1.00 0.00 N ATOM 15 CA ALA A 2 13.286 -2.841 2.624 1.00 0.00 C ATOM 16 C ALA A 2 13.309 -4.362 2.724 1.00 0.00 C ATOM 17 O ALA A 2 13.255 -4.923 3.818 1.00 0.00 O ATOM 18 CB ALA A 2 11.880 -2.317 2.875 1.00 0.00 C ATOM 0 H ALA A 2 13.106 -1.814 0.804 1.00 0.00 H new ATOM 0 HA ALA A 2 13.954 -2.443 3.388 1.00 0.00 H new ATOM 0 HB1 ALA A 2 11.532 -2.661 3.849 1.00 0.00 H new ATOM 0 HB2 ALA A 2 11.889 -1.227 2.857 1.00 0.00 H new ATOM 0 HB3 ALA A 2 11.210 -2.687 2.099 1.00 0.00 H new ATOM 24 N ASP A 3 13.391 -5.026 1.575 1.00 0.00 N ATOM 25 CA ASP A 3 13.421 -6.483 1.536 1.00 0.00 C ATOM 26 C ASP A 3 12.115 -7.068 2.063 1.00 0.00 C ATOM 27 O ASP A 3 11.174 -7.298 1.302 1.00 0.00 O ATOM 28 CB ASP A 3 14.599 -7.013 2.356 1.00 0.00 C ATOM 29 CG ASP A 3 15.937 -6.676 1.729 1.00 0.00 C ATOM 30 OD1 ASP A 3 15.956 -5.913 0.741 1.00 0.00 O ATOM 31 OD2 ASP A 3 16.969 -7.175 2.227 1.00 0.00 O ATOM 0 H ASP A 3 13.438 -4.578 0.660 1.00 0.00 H new ATOM 0 HA ASP A 3 13.543 -6.791 0.498 1.00 0.00 H new ATOM 0 HB2 ASP A 3 14.556 -6.594 3.361 1.00 0.00 H new ATOM 0 HB3 ASP A 3 14.510 -8.095 2.457 1.00 0.00 H new ATOM 36 N GLN A 4 12.062 -7.305 3.369 1.00 0.00 N ATOM 37 CA GLN A 4 10.870 -7.862 3.999 1.00 0.00 C ATOM 38 C GLN A 4 10.207 -6.834 4.911 1.00 0.00 C ATOM 39 O GLN A 4 10.595 -6.677 6.070 1.00 0.00 O ATOM 40 CB GLN A 4 11.221 -9.120 4.798 1.00 0.00 C ATOM 41 CG GLN A 4 12.702 -9.467 4.778 1.00 0.00 C ATOM 42 CD GLN A 4 13.054 -10.571 5.756 1.00 0.00 C ATOM 43 OE1 GLN A 4 12.360 -11.585 5.842 1.00 0.00 O ATOM 44 NE2 GLN A 4 14.138 -10.381 6.499 1.00 0.00 N ATOM 0 H GLN A 4 12.831 -7.120 4.013 1.00 0.00 H new ATOM 0 HA GLN A 4 10.168 -8.130 3.210 1.00 0.00 H new ATOM 0 HB2 GLN A 4 10.903 -8.983 5.832 1.00 0.00 H new ATOM 0 HB3 GLN A 4 10.655 -9.962 4.400 1.00 0.00 H new ATOM 0 HG2 GLN A 4 12.986 -9.774 3.771 1.00 0.00 H new ATOM 0 HG3 GLN A 4 13.284 -8.576 5.016 1.00 0.00 H new ATOM 0 HE21 GLN A 4 14.684 -9.526 6.395 1.00 0.00 H new ATOM 0 HE22 GLN A 4 14.425 -11.090 7.174 1.00 0.00 H new ATOM 53 N PRO A 5 9.197 -6.119 4.395 1.00 0.00 N ATOM 54 CA PRO A 5 8.473 -5.099 5.161 1.00 0.00 C ATOM 55 C PRO A 5 7.919 -5.643 6.474 1.00 0.00 C ATOM 56 O PRO A 5 7.123 -6.581 6.483 1.00 0.00 O ATOM 57 CB PRO A 5 7.330 -4.699 4.223 1.00 0.00 C ATOM 58 CG PRO A 5 7.833 -5.020 2.860 1.00 0.00 C ATOM 59 CD PRO A 5 8.680 -6.250 3.023 1.00 0.00 C ATOM 0 HA PRO A 5 9.119 -4.269 5.448 1.00 0.00 H new ATOM 0 HB2 PRO A 5 6.419 -5.253 4.450 1.00 0.00 H new ATOM 0 HB3 PRO A 5 7.091 -3.640 4.318 1.00 0.00 H new ATOM 0 HG2 PRO A 5 7.009 -5.200 2.170 1.00 0.00 H new ATOM 0 HG3 PRO A 5 8.415 -4.194 2.452 1.00 0.00 H new ATOM 0 HD2 PRO A 5 8.096 -7.162 2.898 1.00 0.00 H new ATOM 0 HD3 PRO A 5 9.486 -6.285 2.290 1.00 0.00 H new ATOM 67 N LYS A 6 8.348 -5.049 7.583 1.00 0.00 N ATOM 68 CA LYS A 6 7.896 -5.475 8.902 1.00 0.00 C ATOM 69 C LYS A 6 7.473 -4.277 9.746 1.00 0.00 C ATOM 70 O LYS A 6 8.107 -3.223 9.709 1.00 0.00 O ATOM 71 CB LYS A 6 9.004 -6.251 9.617 1.00 0.00 C ATOM 72 CG LYS A 6 8.670 -6.597 11.060 1.00 0.00 C ATOM 73 CD LYS A 6 9.027 -8.037 11.384 1.00 0.00 C ATOM 74 CE LYS A 6 8.699 -8.381 12.827 1.00 0.00 C ATOM 75 NZ LYS A 6 8.028 -9.706 12.944 1.00 0.00 N ATOM 0 H LYS A 6 9.008 -4.271 7.594 1.00 0.00 H new ATOM 0 HA LYS A 6 7.032 -6.126 8.770 1.00 0.00 H new ATOM 0 HB2 LYS A 6 9.204 -7.171 9.068 1.00 0.00 H new ATOM 0 HB3 LYS A 6 9.921 -5.662 9.596 1.00 0.00 H new ATOM 0 HG2 LYS A 6 9.210 -5.928 11.730 1.00 0.00 H new ATOM 0 HG3 LYS A 6 7.607 -6.436 11.237 1.00 0.00 H new ATOM 0 HD2 LYS A 6 8.484 -8.706 10.717 1.00 0.00 H new ATOM 0 HD3 LYS A 6 10.090 -8.199 11.203 1.00 0.00 H new ATOM 0 HE2 LYS A 6 9.616 -8.385 13.417 1.00 0.00 H new ATOM 0 HE3 LYS A 6 8.054 -7.609 13.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 7.821 -9.903 13.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 7.140 -9.695 12.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 8.654 -10.446 12.567 1.00 0.00 H new ATOM 89 N GLU A 7 6.397 -4.450 10.509 1.00 0.00 N ATOM 90 CA GLU A 7 5.885 -3.386 11.366 1.00 0.00 C ATOM 91 C GLU A 7 6.079 -2.017 10.722 1.00 0.00 C ATOM 92 O GLU A 7 6.277 -1.018 11.413 1.00 0.00 O ATOM 93 CB GLU A 7 6.577 -3.428 12.730 1.00 0.00 C ATOM 94 CG GLU A 7 8.019 -2.953 12.696 1.00 0.00 C ATOM 95 CD GLU A 7 8.594 -2.741 14.083 1.00 0.00 C ATOM 96 OE1 GLU A 7 8.349 -1.665 14.669 1.00 0.00 O ATOM 97 OE2 GLU A 7 9.290 -3.649 14.584 1.00 0.00 O ATOM 0 H GLU A 7 5.863 -5.318 10.551 1.00 0.00 H new ATOM 0 HA GLU A 7 4.816 -3.548 11.502 1.00 0.00 H new ATOM 0 HB2 GLU A 7 6.016 -2.810 13.431 1.00 0.00 H new ATOM 0 HB3 GLU A 7 6.549 -4.449 13.111 1.00 0.00 H new ATOM 0 HG2 GLU A 7 8.626 -3.684 12.162 1.00 0.00 H new ATOM 0 HG3 GLU A 7 8.078 -2.020 12.136 1.00 0.00 H new ATOM 104 N GLU A 8 6.019 -1.979 9.396 1.00 0.00 N ATOM 105 CA GLU A 8 6.185 -0.731 8.658 1.00 0.00 C ATOM 106 C GLU A 8 4.831 -0.164 8.246 1.00 0.00 C ATOM 107 O GLU A 8 4.349 -0.421 7.143 1.00 0.00 O ATOM 108 CB GLU A 8 7.055 -0.956 7.420 1.00 0.00 C ATOM 109 CG GLU A 8 8.537 -0.740 7.672 1.00 0.00 C ATOM 110 CD GLU A 8 8.928 0.725 7.634 1.00 0.00 C ATOM 111 OE1 GLU A 8 8.951 1.305 6.529 1.00 0.00 O ATOM 112 OE2 GLU A 8 9.209 1.291 8.711 1.00 0.00 O ATOM 0 H GLU A 8 5.857 -2.797 8.809 1.00 0.00 H new ATOM 0 HA GLU A 8 6.679 -0.012 9.312 1.00 0.00 H new ATOM 0 HB2 GLU A 8 6.901 -1.972 7.057 1.00 0.00 H new ATOM 0 HB3 GLU A 8 6.727 -0.282 6.628 1.00 0.00 H new ATOM 0 HG2 GLU A 8 8.801 -1.158 8.644 1.00 0.00 H new ATOM 0 HG3 GLU A 8 9.112 -1.285 6.924 1.00 0.00 H new ATOM 119 N LYS A 9 4.220 0.607 9.140 1.00 0.00 N ATOM 120 CA LYS A 9 2.919 1.206 8.865 1.00 0.00 C ATOM 121 C LYS A 9 3.068 2.649 8.392 1.00 0.00 C ATOM 122 O LYS A 9 3.885 3.407 8.914 1.00 0.00 O ATOM 123 CB LYS A 9 2.028 1.147 10.113 1.00 0.00 C ATOM 124 CG LYS A 9 0.944 2.217 10.151 1.00 0.00 C ATOM 125 CD LYS A 9 1.231 3.282 11.200 1.00 0.00 C ATOM 126 CE LYS A 9 2.661 3.794 11.117 1.00 0.00 C ATOM 127 NZ LYS A 9 3.102 4.421 12.394 1.00 0.00 N ATOM 0 H LYS A 9 4.603 0.831 10.058 1.00 0.00 H new ATOM 0 HA LYS A 9 2.447 0.633 8.067 1.00 0.00 H new ATOM 0 HB2 LYS A 9 1.557 0.165 10.165 1.00 0.00 H new ATOM 0 HB3 LYS A 9 2.654 1.247 10.999 1.00 0.00 H new ATOM 0 HG2 LYS A 9 0.863 2.686 9.171 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -0.019 1.751 10.362 1.00 0.00 H new ATOM 0 HD2 LYS A 9 0.540 4.115 11.070 1.00 0.00 H new ATOM 0 HD3 LYS A 9 1.050 2.870 12.193 1.00 0.00 H new ATOM 0 HE2 LYS A 9 3.328 2.969 10.869 1.00 0.00 H new ATOM 0 HE3 LYS A 9 2.740 4.522 10.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 4.081 4.757 12.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 2.481 5.225 12.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 3.052 3.720 13.161 1.00 0.00 H new ATOM 141 N LYS A 10 2.263 3.017 7.403 1.00 0.00 N ATOM 142 CA LYS A 10 2.280 4.365 6.856 1.00 0.00 C ATOM 143 C LYS A 10 0.903 4.732 6.319 1.00 0.00 C ATOM 144 O LYS A 10 -0.047 3.958 6.444 1.00 0.00 O ATOM 145 CB LYS A 10 3.328 4.487 5.748 1.00 0.00 C ATOM 146 CG LYS A 10 4.164 5.753 5.843 1.00 0.00 C ATOM 147 CD LYS A 10 4.636 6.009 7.266 1.00 0.00 C ATOM 148 CE LYS A 10 6.147 6.161 7.331 1.00 0.00 C ATOM 149 NZ LYS A 10 6.672 5.901 8.700 1.00 0.00 N ATOM 0 H LYS A 10 1.586 2.395 6.962 1.00 0.00 H new ATOM 0 HA LYS A 10 2.544 5.057 7.656 1.00 0.00 H new ATOM 0 HB2 LYS A 10 3.989 3.621 5.786 1.00 0.00 H new ATOM 0 HB3 LYS A 10 2.827 4.463 4.780 1.00 0.00 H new ATOM 0 HG2 LYS A 10 5.027 5.670 5.183 1.00 0.00 H new ATOM 0 HG3 LYS A 10 3.578 6.603 5.495 1.00 0.00 H new ATOM 0 HD2 LYS A 10 4.161 6.911 7.651 1.00 0.00 H new ATOM 0 HD3 LYS A 10 4.324 5.185 7.908 1.00 0.00 H new ATOM 0 HE2 LYS A 10 6.612 5.471 6.627 1.00 0.00 H new ATOM 0 HE3 LYS A 10 6.424 7.168 7.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 7.706 6.015 8.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 6.248 6.575 9.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 6.430 4.931 8.986 1.00 0.00 H new ATOM 163 N GLU A 11 0.795 5.911 5.722 1.00 0.00 N ATOM 164 CA GLU A 11 -0.473 6.365 5.170 1.00 0.00 C ATOM 165 C GLU A 11 -0.694 5.792 3.775 1.00 0.00 C ATOM 166 O GLU A 11 0.101 6.026 2.862 1.00 0.00 O ATOM 167 CB GLU A 11 -0.523 7.892 5.126 1.00 0.00 C ATOM 168 CG GLU A 11 0.108 8.556 6.339 1.00 0.00 C ATOM 169 CD GLU A 11 -0.537 9.885 6.678 1.00 0.00 C ATOM 170 OE1 GLU A 11 -0.194 10.894 6.028 1.00 0.00 O ATOM 171 OE2 GLU A 11 -1.386 9.916 7.593 1.00 0.00 O ATOM 0 H GLU A 11 1.567 6.568 5.608 1.00 0.00 H new ATOM 0 HA GLU A 11 -1.271 6.007 5.820 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -0.014 8.238 4.227 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -1.562 8.211 5.047 1.00 0.00 H new ATOM 0 HG2 GLU A 11 0.028 7.888 7.197 1.00 0.00 H new ATOM 0 HG3 GLU A 11 1.171 8.709 6.153 1.00 0.00 H new ATOM 178 N CYS A 12 -1.777 5.040 3.618 1.00 0.00 N ATOM 179 CA CYS A 12 -2.107 4.434 2.336 1.00 0.00 C ATOM 180 C CYS A 12 -2.561 5.497 1.341 1.00 0.00 C ATOM 181 O CYS A 12 -3.026 6.567 1.735 1.00 0.00 O ATOM 182 CB CYS A 12 -3.201 3.379 2.513 1.00 0.00 C ATOM 183 SG CYS A 12 -3.560 2.422 1.005 1.00 0.00 S ATOM 0 H CYS A 12 -2.442 4.836 4.364 1.00 0.00 H new ATOM 0 HA CYS A 12 -1.212 3.951 1.944 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -2.903 2.692 3.305 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -4.115 3.871 2.845 1.00 0.00 H new ATOM 188 N TYR A 13 -2.414 5.204 0.054 1.00 0.00 N ATOM 189 CA TYR A 13 -2.807 6.144 -0.988 1.00 0.00 C ATOM 190 C TYR A 13 -3.559 5.444 -2.110 1.00 0.00 C ATOM 191 O TYR A 13 -2.990 4.623 -2.830 1.00 0.00 O ATOM 192 CB TYR A 13 -1.580 6.842 -1.576 1.00 0.00 C ATOM 193 CG TYR A 13 -1.081 8.015 -0.772 1.00 0.00 C ATOM 194 CD1 TYR A 13 -0.689 7.869 0.552 1.00 0.00 C ATOM 195 CD2 TYR A 13 -0.985 9.270 -1.351 1.00 0.00 C ATOM 196 CE1 TYR A 13 -0.220 8.947 1.277 1.00 0.00 C ATOM 197 CE2 TYR A 13 -0.517 10.350 -0.638 1.00 0.00 C ATOM 198 CZ TYR A 13 -0.135 10.186 0.678 1.00 0.00 C ATOM 199 OH TYR A 13 0.327 11.264 1.396 1.00 0.00 O ATOM 0 H TYR A 13 -2.027 4.326 -0.292 1.00 0.00 H new ATOM 0 HA TYR A 13 -3.463 6.881 -0.526 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -0.774 6.114 -1.670 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -1.820 7.184 -2.583 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -0.752 6.899 1.022 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -1.283 9.403 -2.381 1.00 0.00 H new ATOM 0 HE1 TYR A 13 0.078 8.820 2.307 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -0.449 11.321 -1.106 1.00 0.00 H new ATOM 0 HH TYR A 13 0.325 12.061 0.826 1.00 0.00 H new ATOM 209 N TYR A 14 -4.830 5.787 -2.275 1.00 0.00 N ATOM 210 CA TYR A 14 -5.634 5.201 -3.335 1.00 0.00 C ATOM 211 C TYR A 14 -5.401 5.969 -4.633 1.00 0.00 C ATOM 212 O TYR A 14 -5.376 5.384 -5.713 1.00 0.00 O ATOM 213 CB TYR A 14 -7.109 5.202 -2.955 1.00 0.00 C ATOM 214 CG TYR A 14 -7.467 4.151 -1.925 1.00 0.00 C ATOM 215 CD1 TYR A 14 -7.477 2.799 -2.249 1.00 0.00 C ATOM 216 CD2 TYR A 14 -7.792 4.515 -0.624 1.00 0.00 C ATOM 217 CE1 TYR A 14 -7.803 1.843 -1.306 1.00 0.00 C ATOM 218 CE2 TYR A 14 -8.119 3.564 0.324 1.00 0.00 C ATOM 219 CZ TYR A 14 -8.124 2.230 -0.022 1.00 0.00 C ATOM 220 OH TYR A 14 -8.448 1.280 0.920 1.00 0.00 O ATOM 0 H TYR A 14 -5.322 6.464 -1.692 1.00 0.00 H new ATOM 0 HA TYR A 14 -5.334 4.164 -3.482 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -7.376 6.185 -2.567 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -7.707 5.040 -3.852 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -7.226 2.491 -3.253 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -7.789 5.559 -0.349 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -7.806 0.797 -1.574 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -8.369 3.865 1.331 1.00 0.00 H new ATOM 0 HH TYR A 14 -8.186 1.598 1.809 1.00 0.00 H new ATOM 230 N ASN A 15 -5.174 7.279 -4.512 1.00 0.00 N ATOM 231 CA ASN A 15 -4.875 8.101 -5.678 1.00 0.00 C ATOM 232 C ASN A 15 -3.449 7.772 -6.096 1.00 0.00 C ATOM 233 O ASN A 15 -3.190 6.668 -6.555 1.00 0.00 O ATOM 234 CB ASN A 15 -5.029 9.589 -5.354 1.00 0.00 C ATOM 235 CG ASN A 15 -6.471 10.054 -5.440 1.00 0.00 C ATOM 236 OD1 ASN A 15 -7.404 9.141 -5.201 1.00 0.00 O flip ATOM 237 ND2 ASN A 15 -6.742 11.223 -5.720 1.00 0.00 N flip ATOM 0 H ASN A 15 -5.192 7.785 -3.627 1.00 0.00 H new ATOM 0 HA ASN A 15 -5.571 7.889 -6.490 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -4.647 9.781 -4.351 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -4.420 10.173 -6.044 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -5.993 11.892 -5.896 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -7.716 11.522 -5.775 1.00 0.00 H new ATOM 244 N LEU A 16 -2.507 8.687 -5.883 1.00 0.00 N ATOM 245 CA LEU A 16 -1.114 8.389 -6.186 1.00 0.00 C ATOM 246 C LEU A 16 -0.165 9.180 -5.309 1.00 0.00 C ATOM 247 O LEU A 16 -0.547 9.704 -4.268 1.00 0.00 O ATOM 248 CB LEU A 16 -0.767 8.556 -7.663 1.00 0.00 C ATOM 249 CG LEU A 16 -0.245 7.269 -8.324 1.00 0.00 C ATOM 250 CD1 LEU A 16 1.126 6.884 -7.796 1.00 0.00 C ATOM 251 CD2 LEU A 16 -1.220 6.137 -8.099 1.00 0.00 C ATOM 0 H LEU A 16 -2.678 9.621 -5.510 1.00 0.00 H new ATOM 0 HA LEU A 16 -0.984 7.331 -5.957 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.653 8.896 -8.199 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -0.014 9.337 -7.764 1.00 0.00 H new ATOM 0 HG LEU A 16 -0.150 7.461 -9.393 1.00 0.00 H new ATOM 0 HD11 LEU A 16 1.461 5.970 -8.286 1.00 0.00 H new ATOM 0 HD12 LEU A 16 1.834 7.687 -8.002 1.00 0.00 H new ATOM 0 HD13 LEU A 16 1.068 6.718 -6.720 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -0.841 5.231 -8.571 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -1.339 5.966 -7.029 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -2.185 6.396 -8.534 1.00 0.00 H new ATOM 263 N ASN A 17 1.087 9.226 -5.721 1.00 0.00 N ATOM 264 CA ASN A 17 2.122 9.902 -4.966 1.00 0.00 C ATOM 265 C ASN A 17 3.409 9.978 -5.767 1.00 0.00 C ATOM 266 O ASN A 17 4.158 10.948 -5.673 1.00 0.00 O ATOM 267 CB ASN A 17 2.407 9.144 -3.669 1.00 0.00 C ATOM 268 CG ASN A 17 1.443 7.990 -3.408 1.00 0.00 C ATOM 269 OD1 ASN A 17 0.899 7.875 -2.320 1.00 0.00 O ATOM 270 ND2 ASN A 17 1.238 7.106 -4.386 1.00 0.00 N ATOM 0 H ASN A 17 1.414 8.797 -6.587 1.00 0.00 H new ATOM 0 HA ASN A 17 1.769 10.909 -4.744 1.00 0.00 H new ATOM 0 HB2 ASN A 17 3.425 8.755 -3.702 1.00 0.00 H new ATOM 0 HB3 ASN A 17 2.359 9.842 -2.833 1.00 0.00 H new ATOM 0 HD21 ASN A 17 0.615 6.312 -4.234 1.00 0.00 H new ATOM 0 HD22 ASN A 17 1.704 7.224 -5.286 1.00 0.00 H new ATOM 277 N ASP A 18 3.672 8.929 -6.532 1.00 0.00 N ATOM 278 CA ASP A 18 4.885 8.861 -7.332 1.00 0.00 C ATOM 279 C ASP A 18 6.104 9.032 -6.437 1.00 0.00 C ATOM 280 O ASP A 18 7.193 9.367 -6.903 1.00 0.00 O ATOM 281 CB ASP A 18 4.873 9.941 -8.416 1.00 0.00 C ATOM 282 CG ASP A 18 4.686 9.364 -9.805 1.00 0.00 C ATOM 283 OD1 ASP A 18 3.721 8.597 -10.005 1.00 0.00 O ATOM 284 OD2 ASP A 18 5.505 9.680 -10.694 1.00 0.00 O ATOM 0 H ASP A 18 3.063 8.115 -6.615 1.00 0.00 H new ATOM 0 HA ASP A 18 4.931 7.886 -7.817 1.00 0.00 H new ATOM 0 HB2 ASP A 18 4.072 10.650 -8.209 1.00 0.00 H new ATOM 0 HB3 ASP A 18 5.809 10.498 -8.380 1.00 0.00 H new ATOM 289 N ALA A 19 5.904 8.805 -5.142 1.00 0.00 N ATOM 290 CA ALA A 19 6.976 8.937 -4.167 1.00 0.00 C ATOM 291 C ALA A 19 7.787 10.200 -4.424 1.00 0.00 C ATOM 292 O ALA A 19 9.008 10.146 -4.574 1.00 0.00 O ATOM 293 CB ALA A 19 7.873 7.709 -4.194 1.00 0.00 C ATOM 0 H ALA A 19 5.006 8.528 -4.745 1.00 0.00 H new ATOM 0 HA ALA A 19 6.530 9.017 -3.176 1.00 0.00 H new ATOM 0 HB1 ALA A 19 8.670 7.824 -3.459 1.00 0.00 H new ATOM 0 HB2 ALA A 19 7.284 6.823 -3.956 1.00 0.00 H new ATOM 0 HB3 ALA A 19 8.309 7.599 -5.187 1.00 0.00 H new ATOM 299 N SER A 20 7.100 11.338 -4.473 1.00 0.00 N ATOM 300 CA SER A 20 7.762 12.616 -4.712 1.00 0.00 C ATOM 301 C SER A 20 6.755 13.746 -4.925 1.00 0.00 C ATOM 302 O SER A 20 7.068 14.912 -4.686 1.00 0.00 O ATOM 303 CB SER A 20 8.689 12.509 -5.922 1.00 0.00 C ATOM 304 OG SER A 20 8.002 11.992 -7.048 1.00 0.00 O ATOM 0 H SER A 20 6.089 11.401 -4.351 1.00 0.00 H new ATOM 0 HA SER A 20 8.347 12.855 -3.824 1.00 0.00 H new ATOM 0 HB2 SER A 20 9.096 13.492 -6.160 1.00 0.00 H new ATOM 0 HB3 SER A 20 9.534 11.864 -5.680 1.00 0.00 H new ATOM 0 HG SER A 20 7.879 11.026 -6.941 1.00 0.00 H new ATOM 310 N LEU A 21 5.552 13.404 -5.374 1.00 0.00 N ATOM 311 CA LEU A 21 4.519 14.407 -5.611 1.00 0.00 C ATOM 312 C LEU A 21 3.381 14.278 -4.600 1.00 0.00 C ATOM 313 O LEU A 21 2.569 15.189 -4.455 1.00 0.00 O ATOM 314 CB LEU A 21 3.974 14.301 -7.039 1.00 0.00 C ATOM 315 CG LEU A 21 3.810 12.877 -7.574 1.00 0.00 C ATOM 316 CD1 LEU A 21 2.499 12.277 -7.091 1.00 0.00 C ATOM 317 CD2 LEU A 21 3.871 12.868 -9.092 1.00 0.00 C ATOM 0 H LEU A 21 5.269 12.446 -5.580 1.00 0.00 H new ATOM 0 HA LEU A 21 4.977 15.388 -5.485 1.00 0.00 H new ATOM 0 HB2 LEU A 21 3.006 14.800 -7.078 1.00 0.00 H new ATOM 0 HB3 LEU A 21 4.641 14.847 -7.706 1.00 0.00 H new ATOM 0 HG LEU A 21 4.630 12.269 -7.193 1.00 0.00 H new ATOM 0 HD11 LEU A 21 2.397 11.264 -7.480 1.00 0.00 H new ATOM 0 HD12 LEU A 21 2.491 12.250 -6.001 1.00 0.00 H new ATOM 0 HD13 LEU A 21 1.668 12.887 -7.445 1.00 0.00 H new ATOM 0 HD21 LEU A 21 3.753 11.847 -9.455 1.00 0.00 H new ATOM 0 HD22 LEU A 21 3.071 13.490 -9.492 1.00 0.00 H new ATOM 0 HD23 LEU A 21 4.834 13.260 -9.420 1.00 0.00 H new ATOM 329 N CYS A 22 3.341 13.147 -3.897 1.00 0.00 N ATOM 330 CA CYS A 22 2.310 12.896 -2.887 1.00 0.00 C ATOM 331 C CYS A 22 0.915 13.226 -3.420 1.00 0.00 C ATOM 332 O CYS A 22 0.579 14.391 -3.629 1.00 0.00 O ATOM 333 CB CYS A 22 2.593 13.708 -1.616 1.00 0.00 C ATOM 334 SG CYS A 22 3.976 14.891 -1.763 1.00 0.00 S ATOM 0 H CYS A 22 4.012 12.387 -4.008 1.00 0.00 H new ATOM 0 HA CYS A 22 2.338 11.834 -2.644 1.00 0.00 H new ATOM 0 HB2 CYS A 22 1.691 14.256 -1.342 1.00 0.00 H new ATOM 0 HB3 CYS A 22 2.807 13.018 -0.800 1.00 0.00 H new ATOM 339 N ASP A 23 0.100 12.193 -3.637 1.00 0.00 N ATOM 340 CA ASP A 23 -1.255 12.389 -4.149 1.00 0.00 C ATOM 341 C ASP A 23 -2.269 11.498 -3.430 1.00 0.00 C ATOM 342 O ASP A 23 -2.706 10.481 -3.966 1.00 0.00 O ATOM 343 CB ASP A 23 -1.295 12.108 -5.653 1.00 0.00 C ATOM 344 CG ASP A 23 -1.485 13.369 -6.470 1.00 0.00 C ATOM 345 OD1 ASP A 23 -0.573 14.223 -6.467 1.00 0.00 O ATOM 346 OD2 ASP A 23 -2.546 13.506 -7.114 1.00 0.00 O ATOM 0 H ASP A 23 0.353 11.219 -3.467 1.00 0.00 H new ATOM 0 HA ASP A 23 -1.529 13.427 -3.962 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -0.368 11.620 -5.954 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -2.106 11.413 -5.869 1.00 0.00 H new ATOM 351 N ASN A 24 -2.654 11.896 -2.221 1.00 0.00 N ATOM 352 CA ASN A 24 -3.629 11.139 -1.442 1.00 0.00 C ATOM 353 C ASN A 24 -5.048 11.584 -1.778 1.00 0.00 C ATOM 354 O ASN A 24 -5.256 12.398 -2.678 1.00 0.00 O ATOM 355 CB ASN A 24 -3.370 11.316 0.056 1.00 0.00 C ATOM 356 CG ASN A 24 -2.913 12.719 0.404 1.00 0.00 C ATOM 357 OD1 ASN A 24 -2.805 13.583 -0.467 1.00 0.00 O ATOM 358 ND2 ASN A 24 -2.643 12.953 1.682 1.00 0.00 N ATOM 0 H ASN A 24 -2.307 12.737 -1.760 1.00 0.00 H new ATOM 0 HA ASN A 24 -3.523 10.085 -1.698 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -4.281 11.087 0.609 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -2.613 10.600 0.378 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -2.332 13.879 1.976 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -2.746 12.207 2.370 1.00 0.00 H new ATOM 365 N VAL A 25 -6.024 11.049 -1.051 1.00 0.00 N ATOM 366 CA VAL A 25 -7.422 11.398 -1.278 1.00 0.00 C ATOM 367 C VAL A 25 -8.296 10.980 -0.100 1.00 0.00 C ATOM 368 O VAL A 25 -9.089 11.773 0.409 1.00 0.00 O ATOM 369 CB VAL A 25 -7.965 10.746 -2.562 1.00 0.00 C ATOM 370 CG1 VAL A 25 -8.202 9.259 -2.350 1.00 0.00 C ATOM 371 CG2 VAL A 25 -9.242 11.437 -3.014 1.00 0.00 C ATOM 0 H VAL A 25 -5.873 10.374 -0.302 1.00 0.00 H new ATOM 0 HA VAL A 25 -7.460 12.482 -1.386 1.00 0.00 H new ATOM 0 HB VAL A 25 -7.218 10.862 -3.348 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -8.586 8.817 -3.269 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -7.263 8.776 -2.079 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -8.927 9.117 -1.549 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -9.611 10.962 -3.923 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -9.996 11.356 -2.231 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -9.036 12.489 -3.212 1.00 0.00 H new ATOM 381 N LEU A 26 -8.147 9.732 0.328 1.00 0.00 N ATOM 382 CA LEU A 26 -8.923 9.207 1.446 1.00 0.00 C ATOM 383 C LEU A 26 -8.474 7.795 1.794 1.00 0.00 C ATOM 384 O LEU A 26 -9.233 6.837 1.655 1.00 0.00 O ATOM 385 CB LEU A 26 -10.416 9.215 1.109 1.00 0.00 C ATOM 386 CG LEU A 26 -10.834 8.249 -0.001 1.00 0.00 C ATOM 387 CD1 LEU A 26 -11.774 7.185 0.543 1.00 0.00 C ATOM 388 CD2 LEU A 26 -11.489 9.007 -1.145 1.00 0.00 C ATOM 0 H LEU A 26 -7.495 9.064 -0.083 1.00 0.00 H new ATOM 0 HA LEU A 26 -8.754 9.849 2.311 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -10.978 8.973 2.011 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -10.702 10.226 0.817 1.00 0.00 H new ATOM 0 HG LEU A 26 -9.941 7.754 -0.382 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -12.061 6.507 -0.261 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -11.271 6.623 1.330 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -12.666 7.661 0.951 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -11.781 8.305 -1.927 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -12.373 9.528 -0.777 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -10.784 9.731 -1.552 1.00 0.00 H new ATOM 400 N ALA A 27 -7.229 7.673 2.244 1.00 0.00 N ATOM 401 CA ALA A 27 -6.671 6.379 2.608 1.00 0.00 C ATOM 402 C ALA A 27 -6.190 6.374 4.055 1.00 0.00 C ATOM 403 O ALA A 27 -5.703 7.383 4.563 1.00 0.00 O ATOM 404 CB ALA A 27 -5.534 6.019 1.665 1.00 0.00 C ATOM 0 H ALA A 27 -6.588 8.457 2.365 1.00 0.00 H new ATOM 0 HA ALA A 27 -7.457 5.629 2.517 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -5.122 5.049 1.945 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -5.910 5.972 0.643 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -4.753 6.777 1.730 1.00 0.00 H new ATOM 410 N PRO A 28 -6.332 5.230 4.740 1.00 0.00 N ATOM 411 CA PRO A 28 -5.927 5.078 6.137 1.00 0.00 C ATOM 412 C PRO A 28 -4.452 4.724 6.292 1.00 0.00 C ATOM 413 O PRO A 28 -3.792 4.330 5.330 1.00 0.00 O ATOM 414 CB PRO A 28 -6.796 3.913 6.597 1.00 0.00 C ATOM 415 CG PRO A 28 -6.902 3.049 5.388 1.00 0.00 C ATOM 416 CD PRO A 28 -6.917 3.984 4.204 1.00 0.00 C ATOM 0 HA PRO A 28 -6.051 5.999 6.707 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -6.341 3.379 7.431 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -7.776 4.253 6.933 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -6.061 2.358 5.328 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -7.809 2.445 5.419 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -6.330 3.590 3.374 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -7.929 4.144 3.832 1.00 0.00 H new ATOM 424 N ASN A 29 -3.945 4.854 7.515 1.00 0.00 N ATOM 425 CA ASN A 29 -2.553 4.533 7.805 1.00 0.00 C ATOM 426 C ASN A 29 -2.433 3.076 8.241 1.00 0.00 C ATOM 427 O ASN A 29 -2.921 2.697 9.305 1.00 0.00 O ATOM 428 CB ASN A 29 -2.007 5.453 8.898 1.00 0.00 C ATOM 429 CG ASN A 29 -2.616 6.840 8.845 1.00 0.00 C ATOM 430 OD1 ASN A 29 -2.460 7.563 7.861 1.00 0.00 O ATOM 431 ND2 ASN A 29 -3.316 7.220 9.909 1.00 0.00 N ATOM 0 H ASN A 29 -4.479 5.180 8.321 1.00 0.00 H new ATOM 0 HA ASN A 29 -1.966 4.684 6.899 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -2.205 5.010 9.874 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -0.925 5.531 8.796 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -3.749 8.143 9.931 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -3.420 6.588 10.703 1.00 0.00 H new ATOM 438 N VAL A 30 -1.797 2.261 7.408 1.00 0.00 N ATOM 439 CA VAL A 30 -1.637 0.846 7.710 1.00 0.00 C ATOM 440 C VAL A 30 -0.333 0.296 7.149 1.00 0.00 C ATOM 441 O VAL A 30 0.518 1.045 6.673 1.00 0.00 O ATOM 442 CB VAL A 30 -2.814 0.028 7.142 1.00 0.00 C ATOM 443 CG1 VAL A 30 -4.124 0.763 7.367 1.00 0.00 C ATOM 444 CG2 VAL A 30 -2.611 -0.257 5.660 1.00 0.00 C ATOM 0 H VAL A 30 -1.386 2.555 6.522 1.00 0.00 H new ATOM 0 HA VAL A 30 -1.618 0.754 8.796 1.00 0.00 H new ATOM 0 HB VAL A 30 -2.853 -0.926 7.668 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -4.946 0.174 6.961 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -4.278 0.913 8.436 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -4.089 1.731 6.866 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -3.454 -0.835 5.282 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -2.543 0.684 5.115 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -1.691 -0.824 5.521 1.00 0.00 H new ATOM 454 N THR A 31 -0.190 -1.024 7.195 1.00 0.00 N ATOM 455 CA THR A 31 1.002 -1.681 6.680 1.00 0.00 C ATOM 456 C THR A 31 0.882 -1.886 5.175 1.00 0.00 C ATOM 457 O THR A 31 -0.102 -2.450 4.695 1.00 0.00 O ATOM 458 CB THR A 31 1.218 -3.023 7.380 1.00 0.00 C ATOM 459 OG1 THR A 31 -0.017 -3.578 7.794 1.00 0.00 O ATOM 460 CG2 THR A 31 2.110 -2.927 8.598 1.00 0.00 C ATOM 0 H THR A 31 -0.887 -1.659 7.584 1.00 0.00 H new ATOM 0 HA THR A 31 1.863 -1.043 6.880 1.00 0.00 H new ATOM 0 HB THR A 31 1.708 -3.657 6.641 1.00 0.00 H new ATOM 0 HG1 THR A 31 0.143 -4.437 8.238 1.00 0.00 H new ATOM 0 HG21 THR A 31 2.221 -3.914 9.046 1.00 0.00 H new ATOM 0 HG22 THR A 31 3.089 -2.550 8.303 1.00 0.00 H new ATOM 0 HG23 THR A 31 1.663 -2.247 9.324 1.00 0.00 H new ATOM 468 N LYS A 32 1.884 -1.416 4.441 1.00 0.00 N ATOM 469 CA LYS A 32 1.902 -1.533 2.985 1.00 0.00 C ATOM 470 C LYS A 32 1.165 -2.781 2.516 1.00 0.00 C ATOM 471 O LYS A 32 0.468 -2.755 1.501 1.00 0.00 O ATOM 472 CB LYS A 32 3.343 -1.562 2.483 1.00 0.00 C ATOM 473 CG LYS A 32 3.463 -1.659 0.973 1.00 0.00 C ATOM 474 CD LYS A 32 4.789 -2.274 0.556 1.00 0.00 C ATOM 475 CE LYS A 32 5.938 -1.745 1.399 1.00 0.00 C ATOM 476 NZ LYS A 32 7.259 -2.018 0.771 1.00 0.00 N ATOM 0 H LYS A 32 2.701 -0.947 4.833 1.00 0.00 H new ATOM 0 HA LYS A 32 1.389 -0.664 2.573 1.00 0.00 H new ATOM 0 HB2 LYS A 32 3.854 -0.661 2.822 1.00 0.00 H new ATOM 0 HB3 LYS A 32 3.858 -2.410 2.934 1.00 0.00 H new ATOM 0 HG2 LYS A 32 2.643 -2.260 0.580 1.00 0.00 H new ATOM 0 HG3 LYS A 32 3.368 -0.665 0.535 1.00 0.00 H new ATOM 0 HD2 LYS A 32 4.735 -3.358 0.653 1.00 0.00 H new ATOM 0 HD3 LYS A 32 4.977 -2.057 -0.495 1.00 0.00 H new ATOM 0 HE2 LYS A 32 5.819 -0.671 1.542 1.00 0.00 H new ATOM 0 HE3 LYS A 32 5.904 -2.204 2.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 8.016 -1.642 1.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 7.384 -3.044 0.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 7.302 -1.559 -0.161 1.00 0.00 H new ATOM 490 N GLN A 33 1.318 -3.869 3.259 1.00 0.00 N ATOM 491 CA GLN A 33 0.661 -5.120 2.914 1.00 0.00 C ATOM 492 C GLN A 33 -0.850 -4.932 2.832 1.00 0.00 C ATOM 493 O GLN A 33 -1.447 -5.076 1.767 1.00 0.00 O ATOM 494 CB GLN A 33 0.997 -6.199 3.945 1.00 0.00 C ATOM 495 CG GLN A 33 2.489 -6.432 4.116 1.00 0.00 C ATOM 496 CD GLN A 33 2.910 -7.831 3.710 1.00 0.00 C ATOM 497 OE1 GLN A 33 3.741 -8.007 2.820 1.00 0.00 O ATOM 498 NE2 GLN A 33 2.336 -8.835 4.363 1.00 0.00 N ATOM 0 H GLN A 33 1.890 -3.910 4.102 1.00 0.00 H new ATOM 0 HA GLN A 33 1.025 -5.437 1.937 1.00 0.00 H new ATOM 0 HB2 GLN A 33 0.569 -5.917 4.907 1.00 0.00 H new ATOM 0 HB3 GLN A 33 0.523 -7.134 3.647 1.00 0.00 H new ATOM 0 HG2 GLN A 33 3.038 -5.704 3.519 1.00 0.00 H new ATOM 0 HG3 GLN A 33 2.763 -6.262 5.157 1.00 0.00 H new ATOM 0 HE21 GLN A 33 1.652 -8.643 5.094 1.00 0.00 H new ATOM 0 HE22 GLN A 33 2.580 -9.798 4.133 1.00 0.00 H new ATOM 507 N GLU A 34 -1.461 -4.613 3.968 1.00 0.00 N ATOM 508 CA GLU A 34 -2.904 -4.409 4.033 1.00 0.00 C ATOM 509 C GLU A 34 -3.369 -3.362 3.025 1.00 0.00 C ATOM 510 O GLU A 34 -4.300 -3.601 2.257 1.00 0.00 O ATOM 511 CB GLU A 34 -3.316 -3.984 5.445 1.00 0.00 C ATOM 512 CG GLU A 34 -2.613 -4.764 6.543 1.00 0.00 C ATOM 513 CD GLU A 34 -2.476 -6.237 6.216 1.00 0.00 C ATOM 514 OE1 GLU A 34 -3.517 -6.905 6.037 1.00 0.00 O ATOM 515 OE2 GLU A 34 -1.329 -6.724 6.138 1.00 0.00 O ATOM 0 H GLU A 34 -0.978 -4.490 4.858 1.00 0.00 H new ATOM 0 HA GLU A 34 -3.382 -5.356 3.783 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -3.105 -2.922 5.572 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -4.393 -4.110 5.554 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -1.623 -4.339 6.709 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -3.168 -4.653 7.475 1.00 0.00 H new ATOM 522 N CYS A 35 -2.725 -2.199 3.037 1.00 0.00 N ATOM 523 CA CYS A 35 -3.089 -1.120 2.127 1.00 0.00 C ATOM 524 C CYS A 35 -3.054 -1.589 0.675 1.00 0.00 C ATOM 525 O CYS A 35 -4.064 -1.550 -0.027 1.00 0.00 O ATOM 526 CB CYS A 35 -2.152 0.077 2.323 1.00 0.00 C ATOM 527 SG CYS A 35 -1.983 1.154 0.859 1.00 0.00 S ATOM 0 H CYS A 35 -1.951 -1.981 3.665 1.00 0.00 H new ATOM 0 HA CYS A 35 -4.109 -0.812 2.357 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -2.517 0.675 3.158 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -1.165 -0.292 2.603 1.00 0.00 H new ATOM 532 N CYS A 36 -1.881 -2.022 0.232 1.00 0.00 N ATOM 533 CA CYS A 36 -1.704 -2.490 -1.137 1.00 0.00 C ATOM 534 C CYS A 36 -2.525 -3.747 -1.410 1.00 0.00 C ATOM 535 O CYS A 36 -2.917 -4.000 -2.548 1.00 0.00 O ATOM 536 CB CYS A 36 -0.220 -2.748 -1.411 1.00 0.00 C ATOM 537 SG CYS A 36 0.878 -1.380 -0.913 1.00 0.00 S ATOM 0 H CYS A 36 -1.036 -2.059 0.802 1.00 0.00 H new ATOM 0 HA CYS A 36 -2.063 -1.712 -1.811 1.00 0.00 H new ATOM 0 HB2 CYS A 36 0.084 -3.653 -0.885 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -0.086 -2.938 -2.476 1.00 0.00 H new ATOM 542 N CYS A 37 -2.796 -4.530 -0.371 1.00 0.00 N ATOM 543 CA CYS A 37 -3.585 -5.746 -0.540 1.00 0.00 C ATOM 544 C CYS A 37 -4.992 -5.398 -1.007 1.00 0.00 C ATOM 545 O CYS A 37 -5.551 -6.065 -1.878 1.00 0.00 O ATOM 546 CB CYS A 37 -3.640 -6.546 0.762 1.00 0.00 C ATOM 547 SG CYS A 37 -4.342 -8.220 0.580 1.00 0.00 S ATOM 0 H CYS A 37 -2.487 -4.349 0.584 1.00 0.00 H new ATOM 0 HA CYS A 37 -3.104 -6.364 -1.298 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -2.632 -6.629 1.168 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -4.232 -5.993 1.491 1.00 0.00 H new ATOM 552 N THR A 38 -5.555 -4.336 -0.438 1.00 0.00 N ATOM 553 CA THR A 38 -6.890 -3.889 -0.814 1.00 0.00 C ATOM 554 C THR A 38 -6.914 -3.506 -2.287 1.00 0.00 C ATOM 555 O THR A 38 -7.947 -3.612 -2.949 1.00 0.00 O ATOM 556 CB THR A 38 -7.313 -2.693 0.039 1.00 0.00 C ATOM 557 OG1 THR A 38 -6.395 -2.483 1.096 1.00 0.00 O ATOM 558 CG2 THR A 38 -8.691 -2.847 0.645 1.00 0.00 C ATOM 0 H THR A 38 -5.108 -3.771 0.284 1.00 0.00 H new ATOM 0 HA THR A 38 -7.591 -4.706 -0.644 1.00 0.00 H new ATOM 0 HB THR A 38 -7.330 -1.842 -0.642 1.00 0.00 H new ATOM 0 HG1 THR A 38 -5.596 -2.032 0.751 1.00 0.00 H new ATOM 0 HG21 THR A 38 -8.929 -1.964 1.238 1.00 0.00 H new ATOM 0 HG22 THR A 38 -9.428 -2.959 -0.150 1.00 0.00 H new ATOM 0 HG23 THR A 38 -8.711 -3.729 1.285 1.00 0.00 H new ATOM 566 N SER A 39 -5.759 -3.061 -2.781 1.00 0.00 N ATOM 567 CA SER A 39 -5.597 -2.651 -4.174 1.00 0.00 C ATOM 568 C SER A 39 -5.721 -1.143 -4.316 1.00 0.00 C ATOM 569 O SER A 39 -6.717 -0.633 -4.827 1.00 0.00 O ATOM 570 CB SER A 39 -6.609 -3.356 -5.074 1.00 0.00 C ATOM 571 OG SER A 39 -6.280 -3.189 -6.442 1.00 0.00 O ATOM 0 H SER A 39 -4.908 -2.975 -2.225 1.00 0.00 H new ATOM 0 HA SER A 39 -4.596 -2.944 -4.491 1.00 0.00 H new ATOM 0 HB2 SER A 39 -6.638 -4.418 -4.831 1.00 0.00 H new ATOM 0 HB3 SER A 39 -7.606 -2.959 -4.886 1.00 0.00 H new ATOM 0 HG SER A 39 -6.943 -3.651 -6.997 1.00 0.00 H new ATOM 577 N GLY A 40 -4.696 -0.434 -3.855 1.00 0.00 N ATOM 578 CA GLY A 40 -4.702 1.010 -3.932 1.00 0.00 C ATOM 579 C GLY A 40 -3.893 1.549 -5.100 1.00 0.00 C ATOM 580 O GLY A 40 -4.205 1.283 -6.260 1.00 0.00 O ATOM 0 H GLY A 40 -3.861 -0.837 -3.429 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -5.731 1.359 -4.019 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -4.304 1.419 -3.003 1.00 0.00 H new ATOM 584 N ALA A 41 -2.865 2.329 -4.783 1.00 0.00 N ATOM 585 CA ALA A 41 -2.012 2.942 -5.797 1.00 0.00 C ATOM 586 C ALA A 41 -0.602 3.185 -5.286 1.00 0.00 C ATOM 587 O ALA A 41 0.367 3.074 -6.035 1.00 0.00 O ATOM 588 CB ALA A 41 -2.638 4.234 -6.260 1.00 0.00 C ATOM 0 H ALA A 41 -2.600 2.553 -3.824 1.00 0.00 H new ATOM 0 HA ALA A 41 -1.930 2.251 -6.636 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -2.004 4.695 -7.017 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -3.621 4.030 -6.685 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -2.742 4.912 -5.413 1.00 0.00 H new ATOM 594 N GLY A 42 -0.493 3.523 -4.010 1.00 0.00 N ATOM 595 CA GLY A 42 0.794 3.782 -3.418 1.00 0.00 C ATOM 596 C GLY A 42 0.714 3.779 -1.900 1.00 0.00 C ATOM 597 O GLY A 42 -0.289 4.199 -1.329 1.00 0.00 O ATOM 0 H GLY A 42 -1.283 3.622 -3.373 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.507 3.027 -3.748 1.00 0.00 H new ATOM 0 HA3 GLY A 42 1.168 4.746 -3.763 1.00 0.00 H new ATOM 601 N TRP A 43 1.758 3.292 -1.241 1.00 0.00 N ATOM 602 CA TRP A 43 1.774 3.237 0.218 1.00 0.00 C ATOM 603 C TRP A 43 3.061 3.839 0.775 1.00 0.00 C ATOM 604 O TRP A 43 4.159 3.395 0.439 1.00 0.00 O ATOM 605 CB TRP A 43 1.623 1.791 0.696 1.00 0.00 C ATOM 606 CG TRP A 43 1.695 1.645 2.186 1.00 0.00 C ATOM 607 CD1 TRP A 43 0.644 1.541 3.055 1.00 0.00 C ATOM 608 CD2 TRP A 43 2.883 1.584 2.984 1.00 0.00 C ATOM 609 NE1 TRP A 43 1.108 1.419 4.341 1.00 0.00 N ATOM 610 CE2 TRP A 43 2.477 1.443 4.324 1.00 0.00 C ATOM 611 CE3 TRP A 43 4.249 1.635 2.695 1.00 0.00 C ATOM 612 CZ2 TRP A 43 3.390 1.351 5.373 1.00 0.00 C ATOM 613 CZ3 TRP A 43 5.153 1.543 3.736 1.00 0.00 C ATOM 614 CH2 TRP A 43 4.721 1.403 5.060 1.00 0.00 C ATOM 0 H TRP A 43 2.600 2.931 -1.689 1.00 0.00 H new ATOM 0 HA TRP A 43 0.933 3.825 0.587 1.00 0.00 H new ATOM 0 HB2 TRP A 43 0.668 1.398 0.346 1.00 0.00 H new ATOM 0 HB3 TRP A 43 2.404 1.182 0.241 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -0.398 1.553 2.771 1.00 0.00 H new ATOM 0 HE1 TRP A 43 0.527 1.326 5.174 1.00 0.00 H new ATOM 0 HE3 TRP A 43 4.592 1.744 1.677 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 3.059 1.243 6.395 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 6.211 1.580 3.524 1.00 0.00 H new ATOM 0 HH2 TRP A 43 5.453 1.335 5.851 1.00 0.00 H new ATOM 625 N GLY A 44 2.920 4.850 1.628 1.00 0.00 N ATOM 626 CA GLY A 44 4.087 5.487 2.212 1.00 0.00 C ATOM 627 C GLY A 44 3.737 6.658 3.108 1.00 0.00 C ATOM 628 O GLY A 44 2.616 6.756 3.608 1.00 0.00 O ATOM 0 H GLY A 44 2.024 5.237 1.924 1.00 0.00 H new ATOM 0 HA2 GLY A 44 4.646 4.750 2.789 1.00 0.00 H new ATOM 0 HA3 GLY A 44 4.744 5.832 1.413 1.00 0.00 H new ATOM 632 N ASP A 45 4.706 7.544 3.315 1.00 0.00 N ATOM 633 CA ASP A 45 4.506 8.713 4.162 1.00 0.00 C ATOM 634 C ASP A 45 4.539 10.005 3.348 1.00 0.00 C ATOM 635 O ASP A 45 5.602 10.583 3.127 1.00 0.00 O ATOM 636 CB ASP A 45 5.574 8.761 5.256 1.00 0.00 C ATOM 637 CG ASP A 45 6.853 8.059 4.846 1.00 0.00 C ATOM 638 OD1 ASP A 45 6.810 6.830 4.624 1.00 0.00 O ATOM 639 OD2 ASP A 45 7.897 8.737 4.746 1.00 0.00 O ATOM 0 H ASP A 45 5.638 7.474 2.907 1.00 0.00 H new ATOM 0 HA ASP A 45 3.521 8.627 4.621 1.00 0.00 H new ATOM 0 HB2 ASP A 45 5.795 9.800 5.499 1.00 0.00 H new ATOM 0 HB3 ASP A 45 5.183 8.298 6.162 1.00 0.00 H new ATOM 644 N ASN A 46 3.361 10.452 2.921 1.00 0.00 N ATOM 645 CA ASN A 46 3.225 11.682 2.142 1.00 0.00 C ATOM 646 C ASN A 46 4.463 11.978 1.301 1.00 0.00 C ATOM 647 O ASN A 46 5.468 12.478 1.809 1.00 0.00 O ATOM 648 CB ASN A 46 2.941 12.863 3.071 1.00 0.00 C ATOM 649 CG ASN A 46 3.072 14.199 2.367 1.00 0.00 C ATOM 650 OD1 ASN A 46 2.387 14.341 1.238 1.00 0.00 O flip ATOM 651 ND2 ASN A 46 3.779 15.093 2.831 1.00 0.00 N flip ATOM 0 H ASN A 46 2.478 9.976 3.103 1.00 0.00 H new ATOM 0 HA ASN A 46 2.389 11.537 1.457 1.00 0.00 H new ATOM 0 HB2 ASN A 46 1.934 12.767 3.478 1.00 0.00 H new ATOM 0 HB3 ASN A 46 3.630 12.831 3.915 1.00 0.00 H new ATOM 0 HD21 ASN A 46 4.288 14.941 3.702 1.00 0.00 H new ATOM 0 HD22 ASN A 46 3.856 15.986 2.345 1.00 0.00 H new ATOM 658 N CYS A 47 4.374 11.687 0.005 1.00 0.00 N ATOM 659 CA CYS A 47 5.476 11.938 -0.919 1.00 0.00 C ATOM 660 C CYS A 47 6.456 10.768 -0.954 1.00 0.00 C ATOM 661 O CYS A 47 7.160 10.568 -1.942 1.00 0.00 O ATOM 662 CB CYS A 47 6.199 13.227 -0.533 1.00 0.00 C ATOM 663 SG CYS A 47 5.076 14.590 -0.081 1.00 0.00 S ATOM 0 H CYS A 47 3.548 11.276 -0.429 1.00 0.00 H new ATOM 0 HA CYS A 47 5.058 12.048 -1.920 1.00 0.00 H new ATOM 0 HB2 CYS A 47 6.864 13.023 0.306 1.00 0.00 H new ATOM 0 HB3 CYS A 47 6.825 13.545 -1.366 1.00 0.00 H new ATOM 668 N GLU A 48 6.486 9.990 0.122 1.00 0.00 N ATOM 669 CA GLU A 48 7.368 8.832 0.200 1.00 0.00 C ATOM 670 C GLU A 48 6.551 7.555 0.063 1.00 0.00 C ATOM 671 O GLU A 48 6.583 6.682 0.930 1.00 0.00 O ATOM 672 CB GLU A 48 8.134 8.831 1.524 1.00 0.00 C ATOM 673 CG GLU A 48 8.340 10.218 2.110 1.00 0.00 C ATOM 674 CD GLU A 48 9.525 10.939 1.498 1.00 0.00 C ATOM 675 OE1 GLU A 48 10.669 10.663 1.919 1.00 0.00 O ATOM 676 OE2 GLU A 48 9.310 11.778 0.600 1.00 0.00 O ATOM 0 H GLU A 48 5.911 10.140 0.951 1.00 0.00 H new ATOM 0 HA GLU A 48 8.091 8.883 -0.614 1.00 0.00 H new ATOM 0 HB2 GLU A 48 7.594 8.218 2.246 1.00 0.00 H new ATOM 0 HB3 GLU A 48 9.106 8.362 1.371 1.00 0.00 H new ATOM 0 HG2 GLU A 48 7.439 10.811 1.955 1.00 0.00 H new ATOM 0 HG3 GLU A 48 8.486 10.135 3.187 1.00 0.00 H new ATOM 683 N ILE A 49 5.798 7.474 -1.028 1.00 0.00 N ATOM 684 CA ILE A 49 4.935 6.331 -1.295 1.00 0.00 C ATOM 685 C ILE A 49 5.471 5.473 -2.442 1.00 0.00 C ATOM 686 O ILE A 49 6.184 5.962 -3.317 1.00 0.00 O ATOM 687 CB ILE A 49 3.509 6.815 -1.631 1.00 0.00 C ATOM 688 CG1 ILE A 49 2.781 7.230 -0.356 1.00 0.00 C ATOM 689 CG2 ILE A 49 2.721 5.754 -2.378 1.00 0.00 C ATOM 690 CD1 ILE A 49 2.343 8.675 -0.367 1.00 0.00 C ATOM 0 H ILE A 49 5.769 8.195 -1.749 1.00 0.00 H new ATOM 0 HA ILE A 49 4.914 5.715 -0.396 1.00 0.00 H new ATOM 0 HB ILE A 49 3.593 7.681 -2.287 1.00 0.00 H new ATOM 0 HG12 ILE A 49 1.907 6.593 -0.220 1.00 0.00 H new ATOM 0 HG13 ILE A 49 3.435 7.061 0.500 1.00 0.00 H new ATOM 0 HG21 ILE A 49 1.722 6.130 -2.598 1.00 0.00 H new ATOM 0 HG22 ILE A 49 3.231 5.511 -3.310 1.00 0.00 H new ATOM 0 HG23 ILE A 49 2.644 4.857 -1.763 1.00 0.00 H new ATOM 0 HD11 ILE A 49 1.832 8.907 0.567 1.00 0.00 H new ATOM 0 HD12 ILE A 49 3.216 9.319 -0.473 1.00 0.00 H new ATOM 0 HD13 ILE A 49 1.665 8.843 -1.203 1.00 0.00 H new ATOM 702 N PHE A 50 5.110 4.189 -2.431 1.00 0.00 N ATOM 703 CA PHE A 50 5.540 3.261 -3.471 1.00 0.00 C ATOM 704 C PHE A 50 4.340 2.772 -4.278 1.00 0.00 C ATOM 705 O PHE A 50 3.410 2.181 -3.730 1.00 0.00 O ATOM 706 CB PHE A 50 6.273 2.069 -2.854 1.00 0.00 C ATOM 707 CG PHE A 50 6.937 2.385 -1.543 1.00 0.00 C ATOM 708 CD1 PHE A 50 8.011 3.259 -1.488 1.00 0.00 C ATOM 709 CD2 PHE A 50 6.487 1.805 -0.368 1.00 0.00 C ATOM 710 CE1 PHE A 50 8.624 3.549 -0.284 1.00 0.00 C ATOM 711 CE2 PHE A 50 7.096 2.092 0.838 1.00 0.00 C ATOM 712 CZ PHE A 50 8.166 2.965 0.881 1.00 0.00 C ATOM 0 H PHE A 50 4.520 3.770 -1.712 1.00 0.00 H new ATOM 0 HA PHE A 50 6.223 3.787 -4.138 1.00 0.00 H new ATOM 0 HB2 PHE A 50 5.564 1.254 -2.706 1.00 0.00 H new ATOM 0 HB3 PHE A 50 7.026 1.713 -3.557 1.00 0.00 H new ATOM 0 HD1 PHE A 50 8.373 3.718 -2.396 1.00 0.00 H new ATOM 0 HD2 PHE A 50 5.651 1.121 -0.395 1.00 0.00 H new ATOM 0 HE1 PHE A 50 9.460 4.232 -0.254 1.00 0.00 H new ATOM 0 HE2 PHE A 50 6.736 1.634 1.747 1.00 0.00 H new ATOM 0 HZ PHE A 50 8.643 3.190 1.823 1.00 0.00 H new ATOM 722 N PRO A 51 4.347 3.019 -5.596 1.00 0.00 N ATOM 723 CA PRO A 51 3.258 2.611 -6.486 1.00 0.00 C ATOM 724 C PRO A 51 2.784 1.182 -6.229 1.00 0.00 C ATOM 725 O PRO A 51 3.386 0.223 -6.712 1.00 0.00 O ATOM 726 CB PRO A 51 3.887 2.723 -7.872 1.00 0.00 C ATOM 727 CG PRO A 51 4.901 3.807 -7.735 1.00 0.00 C ATOM 728 CD PRO A 51 5.420 3.723 -6.323 1.00 0.00 C ATOM 0 HA PRO A 51 2.368 3.225 -6.347 1.00 0.00 H new ATOM 0 HB2 PRO A 51 4.349 1.783 -8.175 1.00 0.00 H new ATOM 0 HB3 PRO A 51 3.141 2.970 -8.628 1.00 0.00 H new ATOM 0 HG2 PRO A 51 5.709 3.677 -8.455 1.00 0.00 H new ATOM 0 HG3 PRO A 51 4.456 4.783 -7.928 1.00 0.00 H new ATOM 0 HD2 PRO A 51 6.362 3.176 -6.275 1.00 0.00 H new ATOM 0 HD3 PRO A 51 5.604 4.713 -5.905 1.00 0.00 H new ATOM 736 N CYS A 52 1.699 1.049 -5.471 1.00 0.00 N ATOM 737 CA CYS A 52 1.143 -0.261 -5.158 1.00 0.00 C ATOM 738 C CYS A 52 -0.375 -0.249 -5.173 1.00 0.00 C ATOM 739 O CYS A 52 -1.027 0.728 -4.764 1.00 0.00 O ATOM 740 CB CYS A 52 1.607 -0.739 -3.791 1.00 0.00 C ATOM 741 SG CYS A 52 0.684 -0.012 -2.399 1.00 0.00 S ATOM 0 H CYS A 52 1.189 1.832 -5.063 1.00 0.00 H new ATOM 0 HA CYS A 52 1.502 -0.940 -5.931 1.00 0.00 H new ATOM 0 HB2 CYS A 52 1.516 -1.824 -3.747 1.00 0.00 H new ATOM 0 HB3 CYS A 52 2.665 -0.503 -3.675 1.00 0.00 H new ATOM 746 N PRO A 53 -0.959 -1.356 -5.637 1.00 0.00 N ATOM 747 CA PRO A 53 -0.231 -2.522 -6.124 1.00 0.00 C ATOM 748 C PRO A 53 -0.053 -2.504 -7.638 1.00 0.00 C ATOM 749 O PRO A 53 -0.183 -1.460 -8.277 1.00 0.00 O ATOM 750 CB PRO A 53 -1.155 -3.674 -5.724 1.00 0.00 C ATOM 751 CG PRO A 53 -2.509 -3.060 -5.499 1.00 0.00 C ATOM 752 CD PRO A 53 -2.383 -1.575 -5.743 1.00 0.00 C ATOM 0 HA PRO A 53 0.778 -2.582 -5.717 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -1.195 -4.432 -6.507 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -0.795 -4.167 -4.821 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -3.245 -3.498 -6.173 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -2.853 -3.253 -4.483 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -2.764 -1.292 -6.724 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -2.938 -0.995 -5.006 1.00 0.00 H new ATOM 760 N VAL A 54 0.233 -3.671 -8.204 1.00 0.00 N ATOM 761 CA VAL A 54 0.415 -3.801 -9.644 1.00 0.00 C ATOM 762 C VAL A 54 -0.641 -4.729 -10.240 1.00 0.00 C ATOM 763 O VAL A 54 -0.835 -4.768 -11.454 1.00 0.00 O ATOM 764 CB VAL A 54 1.816 -4.338 -9.991 1.00 0.00 C ATOM 765 CG1 VAL A 54 2.038 -4.328 -11.495 1.00 0.00 C ATOM 766 CG2 VAL A 54 2.888 -3.523 -9.283 1.00 0.00 C ATOM 0 H VAL A 54 0.344 -4.542 -7.686 1.00 0.00 H new ATOM 0 HA VAL A 54 0.308 -2.804 -10.072 1.00 0.00 H new ATOM 0 HB VAL A 54 1.884 -5.369 -9.645 1.00 0.00 H new ATOM 0 HG11 VAL A 54 3.034 -4.711 -11.718 1.00 0.00 H new ATOM 0 HG12 VAL A 54 1.290 -4.958 -11.977 1.00 0.00 H new ATOM 0 HG13 VAL A 54 1.949 -3.308 -11.869 1.00 0.00 H new ATOM 0 HG21 VAL A 54 3.872 -3.916 -9.539 1.00 0.00 H new ATOM 0 HG22 VAL A 54 2.820 -2.481 -9.597 1.00 0.00 H new ATOM 0 HG23 VAL A 54 2.741 -3.587 -8.205 1.00 0.00 H new ATOM 776 N LEU A 55 -1.323 -5.471 -9.371 1.00 0.00 N ATOM 777 CA LEU A 55 -2.365 -6.398 -9.801 1.00 0.00 C ATOM 778 C LEU A 55 -1.768 -7.592 -10.539 1.00 0.00 C ATOM 779 O LEU A 55 -1.035 -7.428 -11.514 1.00 0.00 O ATOM 780 CB LEU A 55 -3.377 -5.685 -10.696 1.00 0.00 C ATOM 781 CG LEU A 55 -4.805 -5.641 -10.149 1.00 0.00 C ATOM 782 CD1 LEU A 55 -4.794 -5.439 -8.642 1.00 0.00 C ATOM 783 CD2 LEU A 55 -5.603 -4.540 -10.832 1.00 0.00 C ATOM 0 H LEU A 55 -1.172 -5.448 -8.363 1.00 0.00 H new ATOM 0 HA LEU A 55 -2.874 -6.765 -8.910 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -3.036 -4.663 -10.862 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -3.391 -6.178 -11.668 1.00 0.00 H new ATOM 0 HG LEU A 55 -5.285 -6.596 -10.362 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -5.819 -5.410 -8.271 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -4.260 -6.263 -8.168 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -4.296 -4.499 -8.405 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -6.616 -4.523 -10.431 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -5.124 -3.578 -10.650 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -5.641 -4.730 -11.905 1.00 0.00 H new ATOM 795 N GLY A 56 -2.090 -8.792 -10.067 1.00 0.00 N ATOM 796 CA GLY A 56 -1.579 -9.997 -10.694 1.00 0.00 C ATOM 797 C GLY A 56 -0.125 -9.863 -11.101 1.00 0.00 C ATOM 798 O GLY A 56 0.271 -10.315 -12.175 1.00 0.00 O ATOM 0 H GLY A 56 -2.695 -8.951 -9.262 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -1.685 -10.835 -10.005 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -2.180 -10.229 -11.573 1.00 0.00 H new ATOM 802 N THR A 57 0.669 -9.237 -10.240 1.00 0.00 N ATOM 803 CA THR A 57 2.088 -9.041 -10.512 1.00 0.00 C ATOM 804 C THR A 57 2.926 -9.368 -9.281 1.00 0.00 C ATOM 805 O THR A 57 2.466 -10.058 -8.372 1.00 0.00 O ATOM 806 CB THR A 57 2.351 -7.601 -10.954 1.00 0.00 C ATOM 807 OG1 THR A 57 1.152 -6.847 -10.943 1.00 0.00 O ATOM 808 CG2 THR A 57 2.946 -7.500 -12.342 1.00 0.00 C ATOM 0 H THR A 57 0.354 -8.856 -9.348 1.00 0.00 H new ATOM 0 HA THR A 57 2.375 -9.718 -11.317 1.00 0.00 H new ATOM 0 HB THR A 57 3.072 -7.206 -10.239 1.00 0.00 H new ATOM 0 HG1 THR A 57 0.514 -7.238 -11.576 1.00 0.00 H new ATOM 0 HG21 THR A 57 3.107 -6.452 -12.593 1.00 0.00 H new ATOM 0 HG22 THR A 57 3.898 -8.030 -12.369 1.00 0.00 H new ATOM 0 HG23 THR A 57 2.262 -7.945 -13.064 1.00 0.00 H new ATOM 816 N ALA A 58 4.156 -8.871 -9.264 1.00 0.00 N ATOM 817 CA ALA A 58 5.064 -9.112 -8.149 1.00 0.00 C ATOM 818 C ALA A 58 4.596 -8.400 -6.882 1.00 0.00 C ATOM 819 O ALA A 58 4.138 -9.037 -5.934 1.00 0.00 O ATOM 820 CB ALA A 58 6.472 -8.669 -8.515 1.00 0.00 C ATOM 0 H ALA A 58 4.549 -8.298 -10.011 1.00 0.00 H new ATOM 0 HA ALA A 58 5.068 -10.183 -7.945 1.00 0.00 H new ATOM 0 HB1 ALA A 58 7.141 -8.854 -7.675 1.00 0.00 H new ATOM 0 HB2 ALA A 58 6.816 -9.231 -9.383 1.00 0.00 H new ATOM 0 HB3 ALA A 58 6.469 -7.605 -8.749 1.00 0.00 H new ATOM 826 N GLU A 59 4.722 -7.076 -6.870 1.00 0.00 N ATOM 827 CA GLU A 59 4.321 -6.280 -5.714 1.00 0.00 C ATOM 828 C GLU A 59 3.067 -6.853 -5.055 1.00 0.00 C ATOM 829 O GLU A 59 3.153 -7.546 -4.042 1.00 0.00 O ATOM 830 CB GLU A 59 4.087 -4.823 -6.122 1.00 0.00 C ATOM 831 CG GLU A 59 4.780 -3.820 -5.215 1.00 0.00 C ATOM 832 CD GLU A 59 5.425 -2.686 -5.985 1.00 0.00 C ATOM 833 OE1 GLU A 59 6.397 -2.948 -6.724 1.00 0.00 O ATOM 834 OE2 GLU A 59 4.959 -1.536 -5.848 1.00 0.00 O ATOM 0 H GLU A 59 5.098 -6.532 -7.647 1.00 0.00 H new ATOM 0 HA GLU A 59 5.132 -6.316 -4.986 1.00 0.00 H new ATOM 0 HB2 GLU A 59 4.438 -4.680 -7.144 1.00 0.00 H new ATOM 0 HB3 GLU A 59 3.016 -4.622 -6.122 1.00 0.00 H new ATOM 0 HG2 GLU A 59 4.055 -3.410 -4.512 1.00 0.00 H new ATOM 0 HG3 GLU A 59 5.540 -4.333 -4.626 1.00 0.00 H new ATOM 841 N PHE A 60 1.902 -6.556 -5.626 1.00 0.00 N ATOM 842 CA PHE A 60 0.642 -7.039 -5.077 1.00 0.00 C ATOM 843 C PHE A 60 0.779 -8.436 -4.483 1.00 0.00 C ATOM 844 O PHE A 60 0.772 -8.604 -3.268 1.00 0.00 O ATOM 845 CB PHE A 60 -0.444 -7.054 -6.142 1.00 0.00 C ATOM 846 CG PHE A 60 -1.799 -7.315 -5.559 1.00 0.00 C ATOM 847 CD1 PHE A 60 -2.308 -6.478 -4.581 1.00 0.00 C ATOM 848 CD2 PHE A 60 -2.552 -8.400 -5.971 1.00 0.00 C ATOM 849 CE1 PHE A 60 -3.546 -6.717 -4.023 1.00 0.00 C ATOM 850 CE2 PHE A 60 -3.795 -8.642 -5.417 1.00 0.00 C ATOM 851 CZ PHE A 60 -4.290 -7.799 -4.441 1.00 0.00 C ATOM 0 H PHE A 60 1.807 -5.985 -6.466 1.00 0.00 H new ATOM 0 HA PHE A 60 0.363 -6.349 -4.280 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -0.452 -6.097 -6.665 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -0.215 -7.820 -6.883 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -1.729 -5.628 -4.251 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -2.166 -9.063 -6.731 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -3.932 -6.057 -3.260 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -4.378 -9.489 -5.747 1.00 0.00 H new ATOM 0 HZ PHE A 60 -5.260 -7.988 -4.006 1.00 0.00 H new ATOM 861 N THR A 61 0.880 -9.437 -5.350 1.00 0.00 N ATOM 862 CA THR A 61 0.995 -10.824 -4.911 1.00 0.00 C ATOM 863 C THR A 61 1.792 -10.942 -3.612 1.00 0.00 C ATOM 864 O THR A 61 1.559 -11.850 -2.814 1.00 0.00 O ATOM 865 CB THR A 61 1.638 -11.676 -6.007 1.00 0.00 C ATOM 866 OG1 THR A 61 1.279 -13.039 -5.857 1.00 0.00 O ATOM 867 CG2 THR A 61 3.148 -11.600 -6.020 1.00 0.00 C ATOM 0 H THR A 61 0.885 -9.314 -6.363 1.00 0.00 H new ATOM 0 HA THR A 61 -0.012 -11.193 -4.716 1.00 0.00 H new ATOM 0 HB THR A 61 1.263 -11.267 -6.945 1.00 0.00 H new ATOM 0 HG1 THR A 61 1.698 -13.568 -6.568 1.00 0.00 H new ATOM 0 HG21 THR A 61 3.537 -12.228 -6.822 1.00 0.00 H new ATOM 0 HG22 THR A 61 3.459 -10.568 -6.184 1.00 0.00 H new ATOM 0 HG23 THR A 61 3.538 -11.949 -5.064 1.00 0.00 H new ATOM 875 N GLU A 62 2.734 -10.027 -3.403 1.00 0.00 N ATOM 876 CA GLU A 62 3.559 -10.044 -2.199 1.00 0.00 C ATOM 877 C GLU A 62 2.851 -9.359 -1.032 1.00 0.00 C ATOM 878 O GLU A 62 2.947 -9.806 0.112 1.00 0.00 O ATOM 879 CB GLU A 62 4.901 -9.359 -2.469 1.00 0.00 C ATOM 880 CG GLU A 62 5.699 -10.004 -3.589 1.00 0.00 C ATOM 881 CD GLU A 62 6.672 -11.053 -3.086 1.00 0.00 C ATOM 882 OE1 GLU A 62 6.271 -11.874 -2.235 1.00 0.00 O ATOM 883 OE2 GLU A 62 7.835 -11.051 -3.542 1.00 0.00 O ATOM 0 H GLU A 62 2.945 -9.267 -4.049 1.00 0.00 H new ATOM 0 HA GLU A 62 3.733 -11.085 -1.927 1.00 0.00 H new ATOM 0 HB2 GLU A 62 4.722 -8.313 -2.718 1.00 0.00 H new ATOM 0 HB3 GLU A 62 5.496 -9.372 -1.556 1.00 0.00 H new ATOM 0 HG2 GLU A 62 5.013 -10.463 -4.301 1.00 0.00 H new ATOM 0 HG3 GLU A 62 6.249 -9.233 -4.128 1.00 0.00 H new ATOM 890 N MET A 63 2.153 -8.268 -1.325 1.00 0.00 N ATOM 891 CA MET A 63 1.439 -7.514 -0.301 1.00 0.00 C ATOM 892 C MET A 63 0.011 -8.019 -0.118 1.00 0.00 C ATOM 893 O MET A 63 -0.684 -7.606 0.811 1.00 0.00 O ATOM 894 CB MET A 63 1.415 -6.029 -0.663 1.00 0.00 C ATOM 895 CG MET A 63 0.786 -5.739 -2.017 1.00 0.00 C ATOM 896 SD MET A 63 1.907 -4.847 -3.114 1.00 0.00 S ATOM 897 CE MET A 63 2.681 -3.716 -1.960 1.00 0.00 C ATOM 0 H MET A 63 2.066 -7.885 -2.266 1.00 0.00 H new ATOM 0 HA MET A 63 1.970 -7.656 0.640 1.00 0.00 H new ATOM 0 HB2 MET A 63 0.866 -5.486 0.106 1.00 0.00 H new ATOM 0 HB3 MET A 63 2.436 -5.646 -0.657 1.00 0.00 H new ATOM 0 HG2 MET A 63 0.491 -6.677 -2.487 1.00 0.00 H new ATOM 0 HG3 MET A 63 -0.123 -5.154 -1.875 1.00 0.00 H new ATOM 0 HE1 MET A 63 2.815 -2.745 -2.437 1.00 0.00 H new ATOM 0 HE2 MET A 63 2.048 -3.604 -1.080 1.00 0.00 H new ATOM 0 HE3 MET A 63 3.652 -4.110 -1.661 1.00 0.00 H new ATOM 907 N CYS A 64 -0.430 -8.900 -1.008 1.00 0.00 N ATOM 908 CA CYS A 64 -1.783 -9.437 -0.933 1.00 0.00 C ATOM 909 C CYS A 64 -1.794 -10.941 -1.182 1.00 0.00 C ATOM 910 O CYS A 64 -2.165 -11.401 -2.261 1.00 0.00 O ATOM 911 CB CYS A 64 -2.681 -8.728 -1.949 1.00 0.00 C ATOM 912 SG CYS A 64 -4.421 -8.520 -1.429 1.00 0.00 S ATOM 0 H CYS A 64 0.126 -9.256 -1.786 1.00 0.00 H new ATOM 0 HA CYS A 64 -2.165 -9.260 0.072 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -2.260 -7.745 -2.159 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -2.661 -9.290 -2.883 1.00 0.00 H new ATOM 917 N PRO A 65 -1.389 -11.729 -0.174 1.00 0.00 N ATOM 918 CA PRO A 65 -1.354 -13.189 -0.274 1.00 0.00 C ATOM 919 C PRO A 65 -2.744 -13.807 -0.164 1.00 0.00 C ATOM 920 O PRO A 65 -2.990 -14.902 -0.668 1.00 0.00 O ATOM 921 CB PRO A 65 -0.490 -13.596 0.918 1.00 0.00 C ATOM 922 CG PRO A 65 -0.713 -12.522 1.925 1.00 0.00 C ATOM 923 CD PRO A 65 -0.935 -11.253 1.145 1.00 0.00 C ATOM 0 HA PRO A 65 -0.968 -13.529 -1.235 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -0.784 -14.571 1.306 1.00 0.00 H new ATOM 0 HB3 PRO A 65 0.562 -13.667 0.640 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -1.575 -12.749 2.552 1.00 0.00 H new ATOM 0 HG3 PRO A 65 0.147 -12.426 2.588 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -1.682 -10.616 1.620 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -0.020 -10.666 1.066 1.00 0.00 H new ATOM 931 N LYS A 66 -3.650 -13.095 0.499 1.00 0.00 N ATOM 932 CA LYS A 66 -5.018 -13.569 0.676 1.00 0.00 C ATOM 933 C LYS A 66 -5.931 -13.008 -0.410 1.00 0.00 C ATOM 934 O LYS A 66 -6.850 -13.683 -0.874 1.00 0.00 O ATOM 935 CB LYS A 66 -5.543 -13.172 2.057 1.00 0.00 C ATOM 936 CG LYS A 66 -6.127 -14.334 2.844 1.00 0.00 C ATOM 937 CD LYS A 66 -5.052 -15.077 3.621 1.00 0.00 C ATOM 938 CE LYS A 66 -5.003 -16.546 3.237 1.00 0.00 C ATOM 939 NZ LYS A 66 -4.350 -16.754 1.915 1.00 0.00 N ATOM 0 H LYS A 66 -3.461 -12.187 0.923 1.00 0.00 H new ATOM 0 HA LYS A 66 -5.014 -14.656 0.597 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -4.730 -12.727 2.631 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -6.307 -12.404 1.939 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -6.885 -13.963 3.534 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -6.626 -15.022 2.162 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -4.082 -14.618 3.432 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -5.245 -14.985 4.690 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -4.461 -17.103 4.001 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -6.016 -16.948 3.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -3.855 -17.668 1.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -5.072 -16.749 1.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -3.666 -15.990 1.741 1.00 0.00 H new ATOM 953 N GLY A 67 -5.671 -11.768 -0.810 1.00 0.00 N ATOM 954 CA GLY A 67 -6.476 -11.134 -1.838 1.00 0.00 C ATOM 955 C GLY A 67 -7.095 -9.832 -1.369 1.00 0.00 C ATOM 956 O GLY A 67 -7.228 -9.595 -0.168 1.00 0.00 O ATOM 0 H GLY A 67 -4.916 -11.190 -0.440 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -5.856 -10.943 -2.714 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -7.266 -11.817 -2.149 1.00 0.00 H new ATOM 960 N LYS A 68 -7.473 -8.985 -2.320 1.00 0.00 N ATOM 961 CA LYS A 68 -8.081 -7.698 -2.002 1.00 0.00 C ATOM 962 C LYS A 68 -9.343 -7.882 -1.167 1.00 0.00 C ATOM 963 O LYS A 68 -10.112 -8.820 -1.382 1.00 0.00 O ATOM 964 CB LYS A 68 -8.413 -6.939 -3.287 1.00 0.00 C ATOM 965 CG LYS A 68 -9.435 -5.833 -3.089 1.00 0.00 C ATOM 966 CD LYS A 68 -10.856 -6.369 -3.164 1.00 0.00 C ATOM 967 CE LYS A 68 -11.829 -5.305 -3.643 1.00 0.00 C ATOM 968 NZ LYS A 68 -13.201 -5.852 -3.830 1.00 0.00 N ATOM 0 H LYS A 68 -7.369 -9.167 -3.318 1.00 0.00 H new ATOM 0 HA LYS A 68 -7.364 -7.120 -1.419 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -7.497 -6.509 -3.693 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -8.790 -7.643 -4.029 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -9.275 -5.357 -2.122 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -9.294 -5.065 -3.849 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -10.888 -7.223 -3.840 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -11.163 -6.728 -2.182 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -11.859 -4.489 -2.921 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -11.474 -4.885 -4.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -13.835 -5.095 -4.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -13.177 -6.614 -4.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -13.550 -6.229 -2.926 1.00 0.00 H new ATOM 982 N GLY A 69 -9.552 -6.980 -0.212 1.00 0.00 N ATOM 983 CA GLY A 69 -10.724 -7.060 0.638 1.00 0.00 C ATOM 984 C GLY A 69 -10.374 -7.263 2.100 1.00 0.00 C ATOM 985 O GLY A 69 -11.257 -7.475 2.932 1.00 0.00 O ATOM 0 H GLY A 69 -8.930 -6.196 -0.013 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -11.308 -6.146 0.532 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -11.356 -7.882 0.302 1.00 0.00 H new ATOM 989 N PHE A 70 -9.085 -7.196 2.413 1.00 0.00 N ATOM 990 CA PHE A 70 -8.621 -7.374 3.785 1.00 0.00 C ATOM 991 C PHE A 70 -8.457 -6.028 4.487 1.00 0.00 C ATOM 992 O PHE A 70 -7.980 -5.962 5.619 1.00 0.00 O ATOM 993 CB PHE A 70 -7.294 -8.133 3.800 1.00 0.00 C ATOM 994 CG PHE A 70 -7.252 -9.257 4.796 1.00 0.00 C ATOM 995 CD1 PHE A 70 -8.196 -10.270 4.759 1.00 0.00 C ATOM 996 CD2 PHE A 70 -6.268 -9.299 5.771 1.00 0.00 C ATOM 997 CE1 PHE A 70 -8.159 -11.305 5.674 1.00 0.00 C ATOM 998 CE2 PHE A 70 -6.226 -10.330 6.689 1.00 0.00 C ATOM 999 CZ PHE A 70 -7.173 -11.335 6.641 1.00 0.00 C ATOM 0 H PHE A 70 -8.343 -7.020 1.736 1.00 0.00 H new ATOM 0 HA PHE A 70 -9.372 -7.953 4.323 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -7.104 -8.534 2.805 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -6.488 -7.433 4.021 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -8.970 -10.251 4.006 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -5.525 -8.516 5.813 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -8.900 -12.090 5.633 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -5.454 -10.351 7.444 1.00 0.00 H new ATOM 0 HZ PHE A 70 -7.142 -12.142 7.358 1.00 0.00 H new ATOM 1009 N VAL A 71 -8.847 -4.956 3.803 1.00 0.00 N ATOM 1010 CA VAL A 71 -8.736 -3.611 4.356 1.00 0.00 C ATOM 1011 C VAL A 71 -9.984 -2.787 4.052 1.00 0.00 C ATOM 1012 O VAL A 71 -10.555 -2.885 2.967 1.00 0.00 O ATOM 1013 CB VAL A 71 -7.503 -2.889 3.787 1.00 0.00 C ATOM 1014 CG1 VAL A 71 -7.318 -1.528 4.439 1.00 0.00 C ATOM 1015 CG2 VAL A 71 -6.261 -3.748 3.960 1.00 0.00 C ATOM 0 H VAL A 71 -9.243 -4.993 2.864 1.00 0.00 H new ATOM 0 HA VAL A 71 -8.631 -3.710 5.436 1.00 0.00 H new ATOM 0 HB VAL A 71 -7.663 -2.726 2.721 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -6.439 -1.039 4.018 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -8.199 -0.913 4.254 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -7.183 -1.654 5.513 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -5.396 -3.224 3.553 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -6.100 -3.945 5.020 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -6.395 -4.692 3.432 1.00 0.00 H new ATOM 1025 N PRO A 72 -10.422 -1.958 5.013 1.00 0.00 N ATOM 1026 CA PRO A 72 -11.608 -1.108 4.851 1.00 0.00 C ATOM 1027 C PRO A 72 -11.510 -0.209 3.623 1.00 0.00 C ATOM 1028 O PRO A 72 -10.461 -0.122 2.985 1.00 0.00 O ATOM 1029 CB PRO A 72 -11.631 -0.262 6.133 1.00 0.00 C ATOM 1030 CG PRO A 72 -10.266 -0.404 6.719 1.00 0.00 C ATOM 1031 CD PRO A 72 -9.801 -1.776 6.332 1.00 0.00 C ATOM 0 HA PRO A 72 -12.512 -1.700 4.704 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -11.859 0.781 5.913 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -12.395 -0.616 6.825 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -9.592 0.361 6.333 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -10.291 -0.290 7.803 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -8.714 -1.837 6.281 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -10.130 -2.533 7.044 1.00 0.00 H new ATOM 1039 N ALA A 73 -12.613 0.457 3.295 1.00 0.00 N ATOM 1040 CA ALA A 73 -12.655 1.349 2.143 1.00 0.00 C ATOM 1041 C ALA A 73 -12.840 0.565 0.849 1.00 0.00 C ATOM 1042 O ALA A 73 -13.726 0.864 0.049 1.00 0.00 O ATOM 1043 CB ALA A 73 -11.387 2.188 2.078 1.00 0.00 C ATOM 0 H ALA A 73 -13.490 0.395 3.812 1.00 0.00 H new ATOM 0 HA ALA A 73 -13.511 2.014 2.260 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -11.432 2.849 1.213 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -11.298 2.784 2.986 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -10.521 1.532 1.988 1.00 0.00 H new ATOM 1049 N GLY A 74 -11.996 -0.440 0.654 1.00 0.00 N ATOM 1050 CA GLY A 74 -12.077 -1.258 -0.543 1.00 0.00 C ATOM 1051 C GLY A 74 -13.018 -2.435 -0.378 1.00 0.00 C ATOM 1052 O GLY A 74 -13.254 -3.187 -1.325 1.00 0.00 O ATOM 0 H GLY A 74 -11.255 -0.704 1.304 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -12.413 -0.643 -1.378 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -11.082 -1.625 -0.797 1.00 0.00 H new ATOM 1056 N GLU A 75 -13.555 -2.598 0.826 1.00 0.00 N ATOM 1057 CA GLU A 75 -14.476 -3.693 1.112 1.00 0.00 C ATOM 1058 C GLU A 75 -15.640 -3.696 0.128 1.00 0.00 C ATOM 1059 O GLU A 75 -16.099 -2.596 -0.247 1.00 0.00 O ATOM 1060 CB GLU A 75 -15.002 -3.583 2.544 1.00 0.00 C ATOM 1061 CG GLU A 75 -15.418 -2.174 2.934 1.00 0.00 C ATOM 1062 CD GLU A 75 -16.491 -2.158 4.005 1.00 0.00 C ATOM 1063 OE1 GLU A 75 -17.525 -2.836 3.820 1.00 0.00 O ATOM 1064 OE2 GLU A 75 -16.299 -1.469 5.028 1.00 0.00 O ATOM 1065 OXT GLU A 75 -16.083 -4.798 -0.260 1.00 0.00 O ATOM 0 H GLU A 75 -13.369 -1.986 1.620 1.00 0.00 H new ATOM 0 HA GLU A 75 -13.931 -4.631 1.004 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -15.856 -4.250 2.660 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -14.231 -3.929 3.233 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -14.545 -1.627 3.291 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -15.783 -1.650 2.051 1.00 0.00 H new TER 1072 GLU A 75