USER MOD reduce.3.24.130724 H: found=0, std=0, add=454, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 454 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 42 ASN : amide:sc= 0.167 K(o=0.17,f=-10!) USER MOD Set 1.2: A 45 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 15 TYR OH : rot -82:sc= -0.662 USER MOD Set 2.2: A 40 TYR OH : rot 152:sc= 0.235 USER MOD Set 3.1: A 29 THR OG1 : rot 77:sc= 0.99 USER MOD Set 3.2: A 58 TYR OH : rot -130:sc= 1.17 USER MOD Set 4.1: A 23 TYR OH : rot 180:sc= 0 USER MOD Set 4.2: A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -143:sc= 0.0385 (180deg=0) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 48:sc= 0.0828 USER MOD Single : A 6 LYS NZ :NH3+ 165:sc= -0.0215 (180deg=-0.193) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0.00603 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -50:sc= 0.591 USER MOD Single : A 16 GLN : amide:sc= -0.0834 X(o=-0.083,f=0) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 99:sc= 1.28 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 TYR OH : rot 180:sc= -0.157 USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 SER OG : rot 76:sc= 0.408 USER MOD Single : A 38 GLN : amide:sc= -0.886 K(o=-0.89,f=0) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot -25:sc= 0.158 USER MOD Single : A 46 GLN : amide:sc= -1.46! K(o=-1.5!,f=-0.036) USER MOD Single : A 47 GLN : amide:sc= -2.09! C(o=-2.1!,f=-4.9!) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 THR OG1 : rot 180:sc= -0.103 USER MOD Single : A 64 SER OG : rot 41:sc= 0.00155 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -24.985 -3.145 -1.779 1.00 0.00 N ATOM 2 CA GLY A 1 -23.684 -3.699 -1.340 1.00 0.00 C ATOM 3 C GLY A 1 -23.824 -5.074 -0.726 1.00 0.00 C ATOM 4 O GLY A 1 -24.749 -5.816 -1.066 1.00 0.00 O ATOM 0 H1 GLY A 1 -24.855 -2.611 -2.662 1.00 0.00 H new ATOM 0 H2 GLY A 1 -25.657 -3.922 -1.941 1.00 0.00 H new ATOM 0 H3 GLY A 1 -25.359 -2.512 -1.043 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -23.007 -3.752 -2.193 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -23.230 -3.024 -0.614 1.00 0.00 H new ATOM 10 N ALA A 2 -22.898 -5.405 0.177 1.00 0.00 N ATOM 11 CA ALA A 2 -22.873 -6.694 0.877 1.00 0.00 C ATOM 12 C ALA A 2 -22.490 -7.841 -0.059 1.00 0.00 C ATOM 13 O ALA A 2 -21.461 -8.484 0.129 1.00 0.00 O ATOM 14 CB ALA A 2 -24.205 -6.980 1.563 1.00 0.00 C ATOM 0 H ALA A 2 -22.137 -4.781 0.446 1.00 0.00 H new ATOM 0 HA ALA A 2 -22.104 -6.623 1.646 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -24.153 -7.942 2.072 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -24.416 -6.196 2.290 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -25.000 -7.007 0.818 1.00 0.00 H new ATOM 20 N MET A 3 -23.305 -8.078 -1.077 1.00 0.00 N ATOM 21 CA MET A 3 -23.090 -9.197 -1.987 1.00 0.00 C ATOM 22 C MET A 3 -22.279 -8.758 -3.202 1.00 0.00 C ATOM 23 O MET A 3 -22.634 -9.058 -4.343 1.00 0.00 O ATOM 24 CB MET A 3 -24.430 -9.785 -2.435 1.00 0.00 C ATOM 25 CG MET A 3 -25.291 -10.291 -1.290 1.00 0.00 C ATOM 26 SD MET A 3 -24.471 -11.567 -0.310 1.00 0.00 S ATOM 27 CE MET A 3 -25.743 -11.920 0.902 1.00 0.00 C ATOM 0 H MET A 3 -24.123 -7.510 -1.295 1.00 0.00 H new ATOM 0 HA MET A 3 -22.528 -9.964 -1.455 1.00 0.00 H new ATOM 0 HB2 MET A 3 -24.984 -9.025 -2.985 1.00 0.00 H new ATOM 0 HB3 MET A 3 -24.243 -10.606 -3.127 1.00 0.00 H new ATOM 0 HG2 MET A 3 -25.554 -9.455 -0.642 1.00 0.00 H new ATOM 0 HG3 MET A 3 -26.223 -10.690 -1.691 1.00 0.00 H new ATOM 0 HE1 MET A 3 -25.390 -12.692 1.585 1.00 0.00 H new ATOM 0 HE2 MET A 3 -25.971 -11.015 1.464 1.00 0.00 H new ATOM 0 HE3 MET A 3 -26.643 -12.268 0.394 1.00 0.00 H new ATOM 37 N GLY A 4 -21.195 -8.040 -2.949 1.00 0.00 N ATOM 38 CA GLY A 4 -20.350 -7.565 -4.026 1.00 0.00 C ATOM 39 C GLY A 4 -19.042 -7.008 -3.517 1.00 0.00 C ATOM 40 O GLY A 4 -18.683 -5.874 -3.833 1.00 0.00 O ATOM 0 H GLY A 4 -20.884 -7.777 -2.014 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -20.151 -8.383 -4.718 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -20.878 -6.794 -4.588 1.00 0.00 H new ATOM 44 N THR A 5 -18.336 -7.804 -2.726 1.00 0.00 N ATOM 45 CA THR A 5 -17.068 -7.389 -2.150 1.00 0.00 C ATOM 46 C THR A 5 -15.987 -7.269 -3.221 1.00 0.00 C ATOM 47 O THR A 5 -15.375 -8.262 -3.621 1.00 0.00 O ATOM 48 CB THR A 5 -16.616 -8.374 -1.054 1.00 0.00 C ATOM 49 OG1 THR A 5 -16.822 -9.726 -1.491 1.00 0.00 O ATOM 50 CG2 THR A 5 -17.380 -8.133 0.237 1.00 0.00 C ATOM 0 H THR A 5 -18.624 -8.748 -2.468 1.00 0.00 H new ATOM 0 HA THR A 5 -17.218 -6.407 -1.701 1.00 0.00 H new ATOM 0 HB THR A 5 -15.555 -8.211 -0.867 1.00 0.00 H new ATOM 0 HG1 THR A 5 -16.467 -9.834 -2.398 1.00 0.00 H new ATOM 0 HG21 THR A 5 -17.044 -8.840 0.996 1.00 0.00 H new ATOM 0 HG22 THR A 5 -17.198 -7.115 0.583 1.00 0.00 H new ATOM 0 HG23 THR A 5 -18.447 -8.271 0.060 1.00 0.00 H new ATOM 58 N LYS A 6 -15.764 -6.050 -3.685 1.00 0.00 N ATOM 59 CA LYS A 6 -14.796 -5.794 -4.739 1.00 0.00 C ATOM 60 C LYS A 6 -13.464 -5.375 -4.139 1.00 0.00 C ATOM 61 O LYS A 6 -12.405 -5.839 -4.560 1.00 0.00 O ATOM 62 CB LYS A 6 -15.319 -4.704 -5.676 1.00 0.00 C ATOM 63 CG LYS A 6 -16.690 -5.018 -6.252 1.00 0.00 C ATOM 64 CD LYS A 6 -17.213 -3.886 -7.119 1.00 0.00 C ATOM 65 CE LYS A 6 -18.607 -4.192 -7.645 1.00 0.00 C ATOM 66 NZ LYS A 6 -19.608 -4.285 -6.549 1.00 0.00 N ATOM 0 H LYS A 6 -16.244 -5.217 -3.345 1.00 0.00 H new ATOM 0 HA LYS A 6 -14.648 -6.710 -5.311 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -15.367 -3.760 -5.134 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -14.611 -4.566 -6.493 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -16.635 -5.932 -6.843 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -17.391 -5.206 -5.439 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -17.235 -2.962 -6.541 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -16.534 -3.722 -7.956 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -18.909 -3.414 -8.346 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -18.588 -5.131 -8.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -20.567 -4.240 -6.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -19.486 -5.186 -6.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -19.472 -3.495 -5.887 1.00 0.00 H new ATOM 80 N TYR A 7 -13.525 -4.503 -3.147 1.00 0.00 N ATOM 81 CA TYR A 7 -12.329 -4.022 -2.477 1.00 0.00 C ATOM 82 C TYR A 7 -12.491 -4.108 -0.967 1.00 0.00 C ATOM 83 O TYR A 7 -13.101 -3.239 -0.345 1.00 0.00 O ATOM 84 CB TYR A 7 -12.015 -2.583 -2.894 1.00 0.00 C ATOM 85 CG TYR A 7 -11.449 -2.465 -4.292 1.00 0.00 C ATOM 86 CD1 TYR A 7 -10.088 -2.619 -4.520 1.00 0.00 C ATOM 87 CD2 TYR A 7 -12.271 -2.199 -5.380 1.00 0.00 C ATOM 88 CE1 TYR A 7 -9.561 -2.514 -5.792 1.00 0.00 C ATOM 89 CE2 TYR A 7 -11.751 -2.092 -6.657 1.00 0.00 C ATOM 90 CZ TYR A 7 -10.395 -2.251 -6.857 1.00 0.00 C ATOM 91 OH TYR A 7 -9.868 -2.148 -8.128 1.00 0.00 O ATOM 0 H TYR A 7 -14.395 -4.112 -2.786 1.00 0.00 H new ATOM 0 HA TYR A 7 -11.495 -4.658 -2.775 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -12.926 -1.988 -2.829 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -11.304 -2.156 -2.187 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -9.430 -2.824 -3.688 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -13.333 -2.074 -5.226 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -8.500 -2.637 -5.951 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -12.403 -1.885 -7.493 1.00 0.00 H new ATOM 0 HH TYR A 7 -10.588 -1.961 -8.766 1.00 0.00 H new ATOM 101 N ALA A 8 -11.957 -5.171 -0.386 1.00 0.00 N ATOM 102 CA ALA A 8 -12.003 -5.355 1.056 1.00 0.00 C ATOM 103 C ALA A 8 -10.783 -4.723 1.709 1.00 0.00 C ATOM 104 O ALA A 8 -9.884 -4.242 1.021 1.00 0.00 O ATOM 105 CB ALA A 8 -12.081 -6.833 1.408 1.00 0.00 C ATOM 0 H ALA A 8 -11.486 -5.921 -0.892 1.00 0.00 H new ATOM 0 HA ALA A 8 -12.899 -4.863 1.435 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -12.114 -6.948 2.491 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -12.981 -7.264 0.969 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -11.204 -7.347 1.016 1.00 0.00 H new ATOM 111 N VAL A 9 -10.759 -4.727 3.035 1.00 0.00 N ATOM 112 CA VAL A 9 -9.639 -4.170 3.778 1.00 0.00 C ATOM 113 C VAL A 9 -8.374 -5.007 3.564 1.00 0.00 C ATOM 114 O VAL A 9 -8.337 -6.201 3.879 1.00 0.00 O ATOM 115 CB VAL A 9 -9.955 -4.058 5.291 1.00 0.00 C ATOM 116 CG1 VAL A 9 -11.009 -2.991 5.541 1.00 0.00 C ATOM 117 CG2 VAL A 9 -10.423 -5.393 5.857 1.00 0.00 C ATOM 0 H VAL A 9 -11.503 -5.110 3.618 1.00 0.00 H new ATOM 0 HA VAL A 9 -9.465 -3.164 3.395 1.00 0.00 H new ATOM 0 HB VAL A 9 -9.034 -3.773 5.800 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -11.217 -2.928 6.609 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -10.643 -2.028 5.185 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -11.924 -3.251 5.008 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -10.637 -5.283 6.920 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -11.326 -5.712 5.336 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -9.641 -6.140 5.720 1.00 0.00 H new ATOM 127 N PRO A 10 -7.328 -4.398 2.991 1.00 0.00 N ATOM 128 CA PRO A 10 -6.069 -5.089 2.735 1.00 0.00 C ATOM 129 C PRO A 10 -5.300 -5.366 4.016 1.00 0.00 C ATOM 130 O PRO A 10 -5.126 -4.481 4.859 1.00 0.00 O ATOM 131 CB PRO A 10 -5.301 -4.111 1.844 1.00 0.00 C ATOM 132 CG PRO A 10 -5.864 -2.769 2.161 1.00 0.00 C ATOM 133 CD PRO A 10 -7.298 -2.996 2.543 1.00 0.00 C ATOM 0 HA PRO A 10 -6.221 -6.066 2.277 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -4.231 -4.148 2.050 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -5.431 -4.354 0.789 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -5.314 -2.299 2.976 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -5.791 -2.103 1.301 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -7.613 -2.317 3.335 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -7.967 -2.832 1.698 1.00 0.00 H new ATOM 141 N ASP A 11 -4.847 -6.598 4.165 1.00 0.00 N ATOM 142 CA ASP A 11 -4.023 -6.961 5.290 1.00 0.00 C ATOM 143 C ASP A 11 -2.591 -7.117 4.826 1.00 0.00 C ATOM 144 O ASP A 11 -2.288 -7.923 3.949 1.00 0.00 O ATOM 145 CB ASP A 11 -4.525 -8.242 5.968 1.00 0.00 C ATOM 146 CG ASP A 11 -4.407 -9.484 5.109 1.00 0.00 C ATOM 147 OD1 ASP A 11 -5.128 -9.584 4.094 1.00 0.00 O ATOM 148 OD2 ASP A 11 -3.611 -10.381 5.464 1.00 0.00 O ATOM 0 H ASP A 11 -5.040 -7.361 3.516 1.00 0.00 H new ATOM 0 HA ASP A 11 -4.077 -6.168 6.036 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -3.964 -8.396 6.890 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -5.569 -8.106 6.250 1.00 0.00 H new ATOM 153 N THR A 12 -1.711 -6.331 5.410 1.00 0.00 N ATOM 154 CA THR A 12 -0.316 -6.308 5.011 1.00 0.00 C ATOM 155 C THR A 12 0.413 -7.587 5.429 1.00 0.00 C ATOM 156 O THR A 12 1.630 -7.707 5.276 1.00 0.00 O ATOM 157 CB THR A 12 0.378 -5.066 5.591 1.00 0.00 C ATOM 158 OG1 THR A 12 0.127 -4.977 7.000 1.00 0.00 O ATOM 159 CG2 THR A 12 -0.141 -3.813 4.902 1.00 0.00 C ATOM 0 H THR A 12 -1.939 -5.692 6.172 1.00 0.00 H new ATOM 0 HA THR A 12 -0.277 -6.257 3.923 1.00 0.00 H new ATOM 0 HB THR A 12 1.451 -5.152 5.422 1.00 0.00 H new ATOM 0 HG1 THR A 12 0.574 -4.184 7.362 1.00 0.00 H new ATOM 0 HG21 THR A 12 0.356 -2.937 5.318 1.00 0.00 H new ATOM 0 HG22 THR A 12 0.065 -3.873 3.833 1.00 0.00 H new ATOM 0 HG23 THR A 12 -1.216 -3.730 5.060 1.00 0.00 H new ATOM 167 N SER A 13 -0.352 -8.545 5.937 1.00 0.00 N ATOM 168 CA SER A 13 0.167 -9.850 6.293 1.00 0.00 C ATOM 169 C SER A 13 0.157 -10.772 5.073 1.00 0.00 C ATOM 170 O SER A 13 0.751 -11.850 5.090 1.00 0.00 O ATOM 171 CB SER A 13 -0.676 -10.437 7.423 1.00 0.00 C ATOM 172 OG SER A 13 -0.828 -9.492 8.471 1.00 0.00 O ATOM 0 H SER A 13 -1.351 -8.434 6.112 1.00 0.00 H new ATOM 0 HA SER A 13 1.198 -9.753 6.634 1.00 0.00 H new ATOM 0 HB2 SER A 13 -1.655 -10.727 7.042 1.00 0.00 H new ATOM 0 HB3 SER A 13 -0.203 -11.341 7.806 1.00 0.00 H new ATOM 0 HG SER A 13 -1.372 -9.882 9.187 1.00 0.00 H new ATOM 178 N THR A 14 -0.532 -10.347 4.015 1.00 0.00 N ATOM 179 CA THR A 14 -0.504 -11.071 2.748 1.00 0.00 C ATOM 180 C THR A 14 0.464 -10.406 1.773 1.00 0.00 C ATOM 181 O THR A 14 0.496 -10.731 0.585 1.00 0.00 O ATOM 182 CB THR A 14 -1.902 -11.155 2.098 1.00 0.00 C ATOM 183 OG1 THR A 14 -2.477 -9.847 1.973 1.00 0.00 O ATOM 184 CG2 THR A 14 -2.825 -12.047 2.910 1.00 0.00 C ATOM 0 H THR A 14 -1.113 -9.509 4.011 1.00 0.00 H new ATOM 0 HA THR A 14 -0.169 -12.084 2.969 1.00 0.00 H new ATOM 0 HB THR A 14 -1.784 -11.589 1.105 1.00 0.00 H new ATOM 0 HG1 THR A 14 -2.420 -9.381 2.833 1.00 0.00 H new ATOM 0 HG21 THR A 14 -3.803 -12.090 2.431 1.00 0.00 H new ATOM 0 HG22 THR A 14 -2.404 -13.051 2.966 1.00 0.00 H new ATOM 0 HG23 THR A 14 -2.931 -11.641 3.916 1.00 0.00 H new ATOM 192 N TYR A 15 1.259 -9.475 2.287 1.00 0.00 N ATOM 193 CA TYR A 15 2.191 -8.725 1.454 1.00 0.00 C ATOM 194 C TYR A 15 3.556 -9.390 1.437 1.00 0.00 C ATOM 195 O TYR A 15 3.828 -10.303 2.218 1.00 0.00 O ATOM 196 CB TYR A 15 2.329 -7.278 1.944 1.00 0.00 C ATOM 197 CG TYR A 15 1.104 -6.421 1.700 1.00 0.00 C ATOM 198 CD1 TYR A 15 -0.166 -6.981 1.647 1.00 0.00 C ATOM 199 CD2 TYR A 15 1.221 -5.048 1.526 1.00 0.00 C ATOM 200 CE1 TYR A 15 -1.282 -6.203 1.428 1.00 0.00 C ATOM 201 CE2 TYR A 15 0.105 -4.262 1.307 1.00 0.00 C ATOM 202 CZ TYR A 15 -1.143 -4.847 1.260 1.00 0.00 C ATOM 203 OH TYR A 15 -2.257 -4.074 1.038 1.00 0.00 O ATOM 0 H TYR A 15 1.277 -9.222 3.275 1.00 0.00 H new ATOM 0 HA TYR A 15 1.789 -8.715 0.441 1.00 0.00 H new ATOM 0 HB2 TYR A 15 2.546 -7.287 3.012 1.00 0.00 H new ATOM 0 HB3 TYR A 15 3.185 -6.819 1.449 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -0.281 -8.047 1.780 1.00 0.00 H new ATOM 0 HD2 TYR A 15 2.197 -4.588 1.562 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -2.261 -6.657 1.389 1.00 0.00 H new ATOM 0 HE2 TYR A 15 0.210 -3.195 1.173 1.00 0.00 H new ATOM 0 HH TYR A 15 -2.496 -4.110 0.088 1.00 0.00 H new ATOM 213 N GLN A 16 4.411 -8.921 0.545 1.00 0.00 N ATOM 214 CA GLN A 16 5.751 -9.465 0.406 1.00 0.00 C ATOM 215 C GLN A 16 6.778 -8.376 0.674 1.00 0.00 C ATOM 216 O GLN A 16 6.988 -7.501 -0.163 1.00 0.00 O ATOM 217 CB GLN A 16 5.948 -10.027 -1.004 1.00 0.00 C ATOM 218 CG GLN A 16 4.942 -11.099 -1.388 1.00 0.00 C ATOM 219 CD GLN A 16 5.154 -11.593 -2.803 1.00 0.00 C ATOM 220 OE1 GLN A 16 5.898 -12.544 -3.040 1.00 0.00 O ATOM 221 NE2 GLN A 16 4.502 -10.947 -3.756 1.00 0.00 N ATOM 0 H GLN A 16 4.199 -8.159 -0.099 1.00 0.00 H new ATOM 0 HA GLN A 16 5.883 -10.270 1.129 1.00 0.00 H new ATOM 0 HB2 GLN A 16 5.884 -9.209 -1.722 1.00 0.00 H new ATOM 0 HB3 GLN A 16 6.953 -10.442 -1.082 1.00 0.00 H new ATOM 0 HG2 GLN A 16 5.022 -11.937 -0.695 1.00 0.00 H new ATOM 0 HG3 GLN A 16 3.932 -10.701 -1.290 1.00 0.00 H new ATOM 0 HE21 GLN A 16 3.895 -10.163 -3.517 1.00 0.00 H new ATOM 0 HE22 GLN A 16 4.607 -11.233 -4.730 1.00 0.00 H new ATOM 230 N TYR A 17 7.398 -8.406 1.844 1.00 0.00 N ATOM 231 CA TYR A 17 8.390 -7.398 2.180 1.00 0.00 C ATOM 232 C TYR A 17 9.605 -7.514 1.266 1.00 0.00 C ATOM 233 O TYR A 17 10.296 -8.533 1.253 1.00 0.00 O ATOM 234 CB TYR A 17 8.826 -7.503 3.643 1.00 0.00 C ATOM 235 CG TYR A 17 9.911 -6.514 4.018 1.00 0.00 C ATOM 236 CD1 TYR A 17 9.615 -5.173 4.232 1.00 0.00 C ATOM 237 CD2 TYR A 17 11.232 -6.921 4.152 1.00 0.00 C ATOM 238 CE1 TYR A 17 10.605 -4.268 4.567 1.00 0.00 C ATOM 239 CE2 TYR A 17 12.225 -6.022 4.488 1.00 0.00 C ATOM 240 CZ TYR A 17 11.908 -4.698 4.694 1.00 0.00 C ATOM 241 OH TYR A 17 12.899 -3.799 5.024 1.00 0.00 O ATOM 0 H TYR A 17 7.235 -9.107 2.567 1.00 0.00 H new ATOM 0 HA TYR A 17 7.925 -6.423 2.034 1.00 0.00 H new ATOM 0 HB2 TYR A 17 7.960 -7.342 4.285 1.00 0.00 H new ATOM 0 HB3 TYR A 17 9.183 -8.514 3.837 1.00 0.00 H new ATOM 0 HD1 TYR A 17 8.595 -4.832 4.135 1.00 0.00 H new ATOM 0 HD2 TYR A 17 11.487 -7.958 3.991 1.00 0.00 H new ATOM 0 HE1 TYR A 17 10.358 -3.229 4.728 1.00 0.00 H new ATOM 0 HE2 TYR A 17 13.247 -6.356 4.589 1.00 0.00 H new ATOM 0 HH TYR A 17 13.760 -4.265 5.074 1.00 0.00 H new ATOM 251 N ASP A 18 9.849 -6.466 0.502 1.00 0.00 N ATOM 252 CA ASP A 18 11.003 -6.408 -0.374 1.00 0.00 C ATOM 253 C ASP A 18 12.137 -5.714 0.357 1.00 0.00 C ATOM 254 O ASP A 18 12.111 -4.498 0.537 1.00 0.00 O ATOM 255 CB ASP A 18 10.669 -5.640 -1.653 1.00 0.00 C ATOM 256 CG ASP A 18 11.725 -5.812 -2.726 1.00 0.00 C ATOM 257 OD1 ASP A 18 12.780 -5.151 -2.642 1.00 0.00 O ATOM 258 OD2 ASP A 18 11.500 -6.604 -3.663 1.00 0.00 O ATOM 0 H ASP A 18 9.257 -5.636 0.471 1.00 0.00 H new ATOM 0 HA ASP A 18 11.297 -7.421 -0.649 1.00 0.00 H new ATOM 0 HB2 ASP A 18 9.707 -5.980 -2.037 1.00 0.00 H new ATOM 0 HB3 ASP A 18 10.562 -4.581 -1.419 1.00 0.00 H new ATOM 263 N GLU A 19 13.126 -6.480 0.785 1.00 0.00 N ATOM 264 CA GLU A 19 14.191 -5.945 1.623 1.00 0.00 C ATOM 265 C GLU A 19 15.109 -5.037 0.827 1.00 0.00 C ATOM 266 O GLU A 19 15.718 -4.114 1.372 1.00 0.00 O ATOM 267 CB GLU A 19 14.990 -7.083 2.248 1.00 0.00 C ATOM 268 CG GLU A 19 15.776 -7.916 1.249 1.00 0.00 C ATOM 269 CD GLU A 19 16.625 -8.974 1.918 1.00 0.00 C ATOM 270 OE1 GLU A 19 17.732 -8.644 2.394 1.00 0.00 O ATOM 271 OE2 GLU A 19 16.198 -10.141 1.970 1.00 0.00 O ATOM 0 H GLU A 19 13.216 -7.473 0.568 1.00 0.00 H new ATOM 0 HA GLU A 19 13.733 -5.353 2.416 1.00 0.00 H new ATOM 0 HB2 GLU A 19 15.682 -6.667 2.980 1.00 0.00 H new ATOM 0 HB3 GLU A 19 14.307 -7.736 2.790 1.00 0.00 H new ATOM 0 HG2 GLU A 19 15.084 -8.395 0.556 1.00 0.00 H new ATOM 0 HG3 GLU A 19 16.416 -7.261 0.659 1.00 0.00 H new ATOM 278 N SER A 20 15.180 -5.289 -0.467 1.00 0.00 N ATOM 279 CA SER A 20 16.048 -4.533 -1.341 1.00 0.00 C ATOM 280 C SER A 20 15.467 -3.144 -1.572 1.00 0.00 C ATOM 281 O SER A 20 16.199 -2.176 -1.779 1.00 0.00 O ATOM 282 CB SER A 20 16.220 -5.283 -2.664 1.00 0.00 C ATOM 283 OG SER A 20 17.279 -4.742 -3.438 1.00 0.00 O ATOM 0 H SER A 20 14.641 -6.018 -0.936 1.00 0.00 H new ATOM 0 HA SER A 20 17.028 -4.419 -0.877 1.00 0.00 H new ATOM 0 HB2 SER A 20 16.417 -6.336 -2.463 1.00 0.00 H new ATOM 0 HB3 SER A 20 15.292 -5.235 -3.233 1.00 0.00 H new ATOM 0 HG SER A 20 17.362 -5.245 -4.275 1.00 0.00 H new ATOM 289 N SER A 21 14.148 -3.050 -1.491 1.00 0.00 N ATOM 290 CA SER A 21 13.461 -1.791 -1.725 1.00 0.00 C ATOM 291 C SER A 21 13.072 -1.127 -0.403 1.00 0.00 C ATOM 292 O SER A 21 13.050 0.100 -0.294 1.00 0.00 O ATOM 293 CB SER A 21 12.216 -2.042 -2.584 1.00 0.00 C ATOM 294 OG SER A 21 11.622 -0.833 -3.018 1.00 0.00 O ATOM 0 H SER A 21 13.533 -3.832 -1.265 1.00 0.00 H new ATOM 0 HA SER A 21 14.134 -1.115 -2.252 1.00 0.00 H new ATOM 0 HB2 SER A 21 12.488 -2.644 -3.451 1.00 0.00 H new ATOM 0 HB3 SER A 21 11.490 -2.618 -2.011 1.00 0.00 H new ATOM 0 HG SER A 21 10.833 -1.034 -3.563 1.00 0.00 H new ATOM 300 N GLY A 22 12.799 -1.947 0.607 1.00 0.00 N ATOM 301 CA GLY A 22 12.461 -1.428 1.920 1.00 0.00 C ATOM 302 C GLY A 22 10.968 -1.240 2.094 1.00 0.00 C ATOM 303 O GLY A 22 10.519 -0.625 3.060 1.00 0.00 O ATOM 0 H GLY A 22 12.806 -2.965 0.539 1.00 0.00 H new ATOM 0 HA2 GLY A 22 12.831 -2.111 2.685 1.00 0.00 H new ATOM 0 HA3 GLY A 22 12.966 -0.474 2.073 1.00 0.00 H new ATOM 307 N TYR A 23 10.199 -1.782 1.160 1.00 0.00 N ATOM 308 CA TYR A 23 8.749 -1.639 1.173 1.00 0.00 C ATOM 309 C TYR A 23 8.073 -3.001 1.179 1.00 0.00 C ATOM 310 O TYR A 23 8.665 -3.998 0.772 1.00 0.00 O ATOM 311 CB TYR A 23 8.276 -0.864 -0.057 1.00 0.00 C ATOM 312 CG TYR A 23 8.642 0.598 -0.048 1.00 0.00 C ATOM 313 CD1 TYR A 23 7.816 1.528 0.563 1.00 0.00 C ATOM 314 CD2 TYR A 23 9.807 1.050 -0.653 1.00 0.00 C ATOM 315 CE1 TYR A 23 8.139 2.870 0.573 1.00 0.00 C ATOM 316 CE2 TYR A 23 10.138 2.390 -0.646 1.00 0.00 C ATOM 317 CZ TYR A 23 9.301 3.297 -0.032 1.00 0.00 C ATOM 318 OH TYR A 23 9.628 4.633 -0.022 1.00 0.00 O ATOM 0 H TYR A 23 10.558 -2.329 0.378 1.00 0.00 H new ATOM 0 HA TYR A 23 8.479 -1.095 2.078 1.00 0.00 H new ATOM 0 HB2 TYR A 23 8.699 -1.327 -0.948 1.00 0.00 H new ATOM 0 HB3 TYR A 23 7.193 -0.955 -0.135 1.00 0.00 H new ATOM 0 HD1 TYR A 23 6.905 1.197 1.039 1.00 0.00 H new ATOM 0 HD2 TYR A 23 10.464 0.342 -1.136 1.00 0.00 H new ATOM 0 HE1 TYR A 23 7.484 3.582 1.053 1.00 0.00 H new ATOM 0 HE2 TYR A 23 11.049 2.726 -1.119 1.00 0.00 H new ATOM 0 HH TYR A 23 10.479 4.765 -0.490 1.00 0.00 H new ATOM 328 N TYR A 24 6.836 -3.039 1.643 1.00 0.00 N ATOM 329 CA TYR A 24 6.019 -4.237 1.532 1.00 0.00 C ATOM 330 C TYR A 24 5.300 -4.230 0.195 1.00 0.00 C ATOM 331 O TYR A 24 4.485 -3.354 -0.067 1.00 0.00 O ATOM 332 CB TYR A 24 4.994 -4.311 2.666 1.00 0.00 C ATOM 333 CG TYR A 24 5.567 -4.735 3.996 1.00 0.00 C ATOM 334 CD1 TYR A 24 5.542 -6.068 4.381 1.00 0.00 C ATOM 335 CD2 TYR A 24 6.119 -3.809 4.871 1.00 0.00 C ATOM 336 CE1 TYR A 24 6.053 -6.468 5.598 1.00 0.00 C ATOM 337 CE2 TYR A 24 6.635 -4.203 6.091 1.00 0.00 C ATOM 338 CZ TYR A 24 6.598 -5.533 6.449 1.00 0.00 C ATOM 339 OH TYR A 24 7.108 -5.932 7.664 1.00 0.00 O ATOM 0 H TYR A 24 6.374 -2.253 2.101 1.00 0.00 H new ATOM 0 HA TYR A 24 6.669 -5.109 1.603 1.00 0.00 H new ATOM 0 HB2 TYR A 24 4.526 -3.333 2.781 1.00 0.00 H new ATOM 0 HB3 TYR A 24 4.207 -5.010 2.383 1.00 0.00 H new ATOM 0 HD1 TYR A 24 5.115 -6.805 3.716 1.00 0.00 H new ATOM 0 HD2 TYR A 24 6.146 -2.765 4.594 1.00 0.00 H new ATOM 0 HE1 TYR A 24 6.026 -7.510 5.882 1.00 0.00 H new ATOM 0 HE2 TYR A 24 7.065 -3.472 6.760 1.00 0.00 H new ATOM 0 HH TYR A 24 7.456 -5.152 8.145 1.00 0.00 H new ATOM 349 N TYR A 25 5.602 -5.192 -0.655 1.00 0.00 N ATOM 350 CA TYR A 25 4.972 -5.254 -1.960 1.00 0.00 C ATOM 351 C TYR A 25 3.538 -5.736 -1.830 1.00 0.00 C ATOM 352 O TYR A 25 3.271 -6.766 -1.204 1.00 0.00 O ATOM 353 CB TYR A 25 5.749 -6.171 -2.908 1.00 0.00 C ATOM 354 CG TYR A 25 5.046 -6.392 -4.229 1.00 0.00 C ATOM 355 CD1 TYR A 25 4.843 -5.339 -5.114 1.00 0.00 C ATOM 356 CD2 TYR A 25 4.578 -7.649 -4.585 1.00 0.00 C ATOM 357 CE1 TYR A 25 4.194 -5.535 -6.318 1.00 0.00 C ATOM 358 CE2 TYR A 25 3.930 -7.854 -5.787 1.00 0.00 C ATOM 359 CZ TYR A 25 3.740 -6.795 -6.650 1.00 0.00 C ATOM 360 OH TYR A 25 3.096 -6.997 -7.851 1.00 0.00 O ATOM 0 H TYR A 25 6.274 -5.936 -0.468 1.00 0.00 H new ATOM 0 HA TYR A 25 4.975 -4.249 -2.381 1.00 0.00 H new ATOM 0 HB2 TYR A 25 6.733 -5.741 -3.094 1.00 0.00 H new ATOM 0 HB3 TYR A 25 5.909 -7.134 -2.423 1.00 0.00 H new ATOM 0 HD1 TYR A 25 5.198 -4.352 -4.856 1.00 0.00 H new ATOM 0 HD2 TYR A 25 4.723 -8.480 -3.911 1.00 0.00 H new ATOM 0 HE1 TYR A 25 4.043 -4.707 -6.995 1.00 0.00 H new ATOM 0 HE2 TYR A 25 3.574 -8.839 -6.050 1.00 0.00 H new ATOM 0 HH TYR A 25 2.841 -7.940 -7.931 1.00 0.00 H new ATOM 370 N ASP A 26 2.628 -4.973 -2.415 1.00 0.00 N ATOM 371 CA ASP A 26 1.212 -5.288 -2.406 1.00 0.00 C ATOM 372 C ASP A 26 0.782 -5.871 -3.745 1.00 0.00 C ATOM 373 O ASP A 26 0.579 -5.136 -4.711 1.00 0.00 O ATOM 374 CB ASP A 26 0.391 -4.031 -2.112 1.00 0.00 C ATOM 375 CG ASP A 26 -1.075 -4.222 -2.414 1.00 0.00 C ATOM 376 OD1 ASP A 26 -1.729 -5.020 -1.723 1.00 0.00 O ATOM 377 OD2 ASP A 26 -1.571 -3.580 -3.358 1.00 0.00 O ATOM 0 H ASP A 26 2.855 -4.112 -2.912 1.00 0.00 H new ATOM 0 HA ASP A 26 1.035 -6.027 -1.625 1.00 0.00 H new ATOM 0 HB2 ASP A 26 0.511 -3.758 -1.064 1.00 0.00 H new ATOM 0 HB3 ASP A 26 0.777 -3.201 -2.704 1.00 0.00 H new ATOM 382 N PRO A 27 0.681 -7.203 -3.824 1.00 0.00 N ATOM 383 CA PRO A 27 0.133 -7.889 -4.996 1.00 0.00 C ATOM 384 C PRO A 27 -1.387 -7.749 -5.096 1.00 0.00 C ATOM 385 O PRO A 27 -1.981 -8.042 -6.137 1.00 0.00 O ATOM 386 CB PRO A 27 0.517 -9.351 -4.759 1.00 0.00 C ATOM 387 CG PRO A 27 0.647 -9.477 -3.280 1.00 0.00 C ATOM 388 CD PRO A 27 1.140 -8.147 -2.792 1.00 0.00 C ATOM 0 HA PRO A 27 0.519 -7.475 -5.928 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -0.244 -10.028 -5.148 1.00 0.00 H new ATOM 0 HB3 PRO A 27 1.452 -9.600 -5.261 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -0.311 -9.729 -2.824 1.00 0.00 H new ATOM 0 HG3 PRO A 27 1.344 -10.272 -3.016 1.00 0.00 H new ATOM 0 HD2 PRO A 27 0.727 -7.902 -1.813 1.00 0.00 H new ATOM 0 HD3 PRO A 27 2.225 -8.134 -2.692 1.00 0.00 H new ATOM 396 N THR A 28 -2.010 -7.295 -4.013 1.00 0.00 N ATOM 397 CA THR A 28 -3.458 -7.171 -3.954 1.00 0.00 C ATOM 398 C THR A 28 -3.944 -6.087 -4.909 1.00 0.00 C ATOM 399 O THR A 28 -4.889 -6.290 -5.673 1.00 0.00 O ATOM 400 CB THR A 28 -3.920 -6.824 -2.529 1.00 0.00 C ATOM 401 OG1 THR A 28 -2.982 -7.341 -1.576 1.00 0.00 O ATOM 402 CG2 THR A 28 -5.302 -7.395 -2.249 1.00 0.00 C ATOM 0 H THR A 28 -1.529 -7.006 -3.161 1.00 0.00 H new ATOM 0 HA THR A 28 -3.882 -8.131 -4.247 1.00 0.00 H new ATOM 0 HB THR A 28 -3.972 -5.739 -2.441 1.00 0.00 H new ATOM 0 HG1 THR A 28 -2.379 -6.624 -1.288 1.00 0.00 H new ATOM 0 HG21 THR A 28 -5.604 -7.135 -1.235 1.00 0.00 H new ATOM 0 HG22 THR A 28 -6.018 -6.980 -2.959 1.00 0.00 H new ATOM 0 HG23 THR A 28 -5.275 -8.480 -2.353 1.00 0.00 H new ATOM 410 N THR A 29 -3.291 -4.938 -4.862 1.00 0.00 N ATOM 411 CA THR A 29 -3.644 -3.826 -5.724 1.00 0.00 C ATOM 412 C THR A 29 -2.513 -3.529 -6.702 1.00 0.00 C ATOM 413 O THR A 29 -2.747 -3.272 -7.884 1.00 0.00 O ATOM 414 CB THR A 29 -3.940 -2.562 -4.897 1.00 0.00 C ATOM 415 OG1 THR A 29 -4.594 -2.931 -3.675 1.00 0.00 O ATOM 416 CG2 THR A 29 -4.818 -1.595 -5.676 1.00 0.00 C ATOM 0 H THR A 29 -2.510 -4.752 -4.233 1.00 0.00 H new ATOM 0 HA THR A 29 -4.540 -4.108 -6.277 1.00 0.00 H new ATOM 0 HB THR A 29 -2.996 -2.065 -4.675 1.00 0.00 H new ATOM 0 HG1 THR A 29 -3.934 -3.294 -3.048 1.00 0.00 H new ATOM 0 HG21 THR A 29 -5.012 -0.710 -5.069 1.00 0.00 H new ATOM 0 HG22 THR A 29 -4.310 -1.301 -6.594 1.00 0.00 H new ATOM 0 HG23 THR A 29 -5.762 -2.080 -5.924 1.00 0.00 H new ATOM 424 N GLY A 30 -1.286 -3.587 -6.202 1.00 0.00 N ATOM 425 CA GLY A 30 -0.131 -3.302 -7.029 1.00 0.00 C ATOM 426 C GLY A 30 0.614 -2.091 -6.526 1.00 0.00 C ATOM 427 O GLY A 30 1.108 -1.279 -7.306 1.00 0.00 O ATOM 0 H GLY A 30 -1.070 -3.827 -5.235 1.00 0.00 H new ATOM 0 HA2 GLY A 30 0.535 -4.165 -7.038 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -0.449 -3.135 -8.058 1.00 0.00 H new ATOM 431 N LEU A 31 0.697 -1.977 -5.210 1.00 0.00 N ATOM 432 CA LEU A 31 1.294 -0.807 -4.576 1.00 0.00 C ATOM 433 C LEU A 31 2.429 -1.212 -3.649 1.00 0.00 C ATOM 434 O LEU A 31 2.712 -2.396 -3.470 1.00 0.00 O ATOM 435 CB LEU A 31 0.232 -0.034 -3.785 1.00 0.00 C ATOM 436 CG LEU A 31 -0.882 0.601 -4.627 1.00 0.00 C ATOM 437 CD1 LEU A 31 -1.843 1.375 -3.743 1.00 0.00 C ATOM 438 CD2 LEU A 31 -0.300 1.517 -5.696 1.00 0.00 C ATOM 0 H LEU A 31 0.358 -2.682 -4.556 1.00 0.00 H new ATOM 0 HA LEU A 31 1.697 -0.166 -5.360 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.223 -0.711 -3.062 1.00 0.00 H new ATOM 0 HB3 LEU A 31 0.728 0.753 -3.216 1.00 0.00 H new ATOM 0 HG LEU A 31 -1.429 -0.202 -5.121 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -2.626 1.818 -4.358 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -2.292 0.699 -3.015 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -1.302 2.164 -3.221 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -1.110 1.955 -6.280 1.00 0.00 H new ATOM 0 HD22 LEU A 31 0.276 2.311 -5.221 1.00 0.00 H new ATOM 0 HD23 LEU A 31 0.351 0.941 -6.354 1.00 0.00 H new ATOM 450 N TYR A 32 3.087 -0.219 -3.075 1.00 0.00 N ATOM 451 CA TYR A 32 4.123 -0.462 -2.089 1.00 0.00 C ATOM 452 C TYR A 32 3.705 0.089 -0.736 1.00 0.00 C ATOM 453 O TYR A 32 3.367 1.254 -0.613 1.00 0.00 O ATOM 454 CB TYR A 32 5.442 0.172 -2.535 1.00 0.00 C ATOM 455 CG TYR A 32 6.189 -0.649 -3.559 1.00 0.00 C ATOM 456 CD1 TYR A 32 6.887 -1.789 -3.179 1.00 0.00 C ATOM 457 CD2 TYR A 32 6.206 -0.285 -4.898 1.00 0.00 C ATOM 458 CE1 TYR A 32 7.582 -2.543 -4.104 1.00 0.00 C ATOM 459 CE2 TYR A 32 6.896 -1.036 -5.832 1.00 0.00 C ATOM 460 CZ TYR A 32 7.583 -2.163 -5.430 1.00 0.00 C ATOM 461 OH TYR A 32 8.283 -2.908 -6.355 1.00 0.00 O ATOM 0 H TYR A 32 2.920 0.767 -3.277 1.00 0.00 H new ATOM 0 HA TYR A 32 4.268 -1.538 -1.997 1.00 0.00 H new ATOM 0 HB2 TYR A 32 5.239 1.159 -2.950 1.00 0.00 H new ATOM 0 HB3 TYR A 32 6.079 0.318 -1.663 1.00 0.00 H new ATOM 0 HD1 TYR A 32 6.886 -2.091 -2.142 1.00 0.00 H new ATOM 0 HD2 TYR A 32 5.672 0.598 -5.216 1.00 0.00 H new ATOM 0 HE1 TYR A 32 8.121 -3.425 -3.791 1.00 0.00 H new ATOM 0 HE2 TYR A 32 6.897 -0.742 -6.871 1.00 0.00 H new ATOM 0 HH TYR A 32 8.181 -2.507 -7.243 1.00 0.00 H new ATOM 471 N TYR A 33 3.726 -0.753 0.271 1.00 0.00 N ATOM 472 CA TYR A 33 3.359 -0.342 1.611 1.00 0.00 C ATOM 473 C TYR A 33 4.596 0.076 2.392 1.00 0.00 C ATOM 474 O TYR A 33 5.531 -0.710 2.558 1.00 0.00 O ATOM 475 CB TYR A 33 2.632 -1.482 2.328 1.00 0.00 C ATOM 476 CG TYR A 33 2.332 -1.201 3.786 1.00 0.00 C ATOM 477 CD1 TYR A 33 1.248 -0.416 4.159 1.00 0.00 C ATOM 478 CD2 TYR A 33 3.136 -1.727 4.790 1.00 0.00 C ATOM 479 CE1 TYR A 33 0.973 -0.164 5.491 1.00 0.00 C ATOM 480 CE2 TYR A 33 2.870 -1.480 6.122 1.00 0.00 C ATOM 481 CZ TYR A 33 1.788 -0.699 6.469 1.00 0.00 C ATOM 482 OH TYR A 33 1.518 -0.454 7.798 1.00 0.00 O ATOM 0 H TYR A 33 3.995 -1.734 0.189 1.00 0.00 H new ATOM 0 HA TYR A 33 2.687 0.514 1.546 1.00 0.00 H new ATOM 0 HB2 TYR A 33 1.696 -1.686 1.808 1.00 0.00 H new ATOM 0 HB3 TYR A 33 3.238 -2.385 2.260 1.00 0.00 H new ATOM 0 HD1 TYR A 33 0.609 0.004 3.396 1.00 0.00 H new ATOM 0 HD2 TYR A 33 3.984 -2.340 4.523 1.00 0.00 H new ATOM 0 HE1 TYR A 33 0.126 0.448 5.764 1.00 0.00 H new ATOM 0 HE2 TYR A 33 3.506 -1.897 6.889 1.00 0.00 H new ATOM 0 HH TYR A 33 2.186 -0.904 8.356 1.00 0.00 H new ATOM 492 N ASP A 34 4.603 1.316 2.856 1.00 0.00 N ATOM 493 CA ASP A 34 5.696 1.819 3.681 1.00 0.00 C ATOM 494 C ASP A 34 5.465 1.422 5.132 1.00 0.00 C ATOM 495 O ASP A 34 4.516 1.881 5.759 1.00 0.00 O ATOM 496 CB ASP A 34 5.800 3.344 3.574 1.00 0.00 C ATOM 497 CG ASP A 34 7.056 3.892 4.223 1.00 0.00 C ATOM 498 OD1 ASP A 34 8.062 4.079 3.517 1.00 0.00 O ATOM 499 OD2 ASP A 34 7.037 4.150 5.440 1.00 0.00 O ATOM 0 H ASP A 34 3.864 1.995 2.676 1.00 0.00 H new ATOM 0 HA ASP A 34 6.629 1.383 3.325 1.00 0.00 H new ATOM 0 HB2 ASP A 34 5.784 3.632 2.523 1.00 0.00 H new ATOM 0 HB3 ASP A 34 4.926 3.797 4.042 1.00 0.00 H new ATOM 504 N PRO A 35 6.311 0.540 5.678 1.00 0.00 N ATOM 505 CA PRO A 35 6.177 0.062 7.060 1.00 0.00 C ATOM 506 C PRO A 35 6.331 1.166 8.098 1.00 0.00 C ATOM 507 O PRO A 35 5.836 1.051 9.219 1.00 0.00 O ATOM 508 CB PRO A 35 7.317 -0.951 7.215 1.00 0.00 C ATOM 509 CG PRO A 35 8.262 -0.669 6.097 1.00 0.00 C ATOM 510 CD PRO A 35 7.446 -0.084 4.982 1.00 0.00 C ATOM 0 HA PRO A 35 5.183 -0.352 7.228 1.00 0.00 H new ATOM 0 HB2 PRO A 35 7.810 -0.841 8.181 1.00 0.00 H new ATOM 0 HB3 PRO A 35 6.942 -1.973 7.163 1.00 0.00 H new ATOM 0 HG2 PRO A 35 9.040 0.026 6.413 1.00 0.00 H new ATOM 0 HG3 PRO A 35 8.762 -1.582 5.773 1.00 0.00 H new ATOM 0 HD2 PRO A 35 8.016 0.647 4.408 1.00 0.00 H new ATOM 0 HD3 PRO A 35 7.115 -0.851 4.282 1.00 0.00 H new ATOM 518 N ASN A 36 7.011 2.235 7.724 1.00 0.00 N ATOM 519 CA ASN A 36 7.323 3.295 8.666 1.00 0.00 C ATOM 520 C ASN A 36 6.188 4.308 8.729 1.00 0.00 C ATOM 521 O ASN A 36 5.705 4.654 9.807 1.00 0.00 O ATOM 522 CB ASN A 36 8.632 3.977 8.268 1.00 0.00 C ATOM 523 CG ASN A 36 9.194 4.835 9.380 1.00 0.00 C ATOM 524 OD1 ASN A 36 8.938 6.039 9.445 1.00 0.00 O ATOM 525 ND2 ASN A 36 9.949 4.212 10.272 1.00 0.00 N ATOM 0 H ASN A 36 7.357 2.392 6.777 1.00 0.00 H new ATOM 0 HA ASN A 36 7.442 2.859 9.658 1.00 0.00 H new ATOM 0 HB2 ASN A 36 9.365 3.219 7.992 1.00 0.00 H new ATOM 0 HB3 ASN A 36 8.464 4.594 7.386 1.00 0.00 H new ATOM 0 HD21 ASN A 36 10.346 4.731 11.055 1.00 0.00 H new ATOM 0 HD22 ASN A 36 10.133 3.213 10.176 1.00 0.00 H new ATOM 532 N SER A 37 5.752 4.758 7.567 1.00 0.00 N ATOM 533 CA SER A 37 4.707 5.762 7.473 1.00 0.00 C ATOM 534 C SER A 37 3.322 5.118 7.489 1.00 0.00 C ATOM 535 O SER A 37 2.324 5.770 7.800 1.00 0.00 O ATOM 536 CB SER A 37 4.898 6.568 6.191 1.00 0.00 C ATOM 537 OG SER A 37 6.260 6.936 6.032 1.00 0.00 O ATOM 0 H SER A 37 6.110 4.440 6.666 1.00 0.00 H new ATOM 0 HA SER A 37 4.777 6.423 8.337 1.00 0.00 H new ATOM 0 HB2 SER A 37 4.572 5.980 5.333 1.00 0.00 H new ATOM 0 HB3 SER A 37 4.275 7.462 6.220 1.00 0.00 H new ATOM 0 HG SER A 37 6.777 6.157 5.737 1.00 0.00 H new ATOM 543 N GLN A 38 3.292 3.825 7.154 1.00 0.00 N ATOM 544 CA GLN A 38 2.061 3.036 7.093 1.00 0.00 C ATOM 545 C GLN A 38 1.144 3.520 5.975 1.00 0.00 C ATOM 546 O GLN A 38 -0.078 3.437 6.078 1.00 0.00 O ATOM 547 CB GLN A 38 1.330 3.049 8.435 1.00 0.00 C ATOM 548 CG GLN A 38 2.112 2.374 9.549 1.00 0.00 C ATOM 549 CD GLN A 38 1.412 2.462 10.889 1.00 0.00 C ATOM 550 OE1 GLN A 38 2.057 2.529 11.935 1.00 0.00 O ATOM 551 NE2 GLN A 38 0.089 2.442 10.870 1.00 0.00 N ATOM 0 H GLN A 38 4.129 3.293 6.916 1.00 0.00 H new ATOM 0 HA GLN A 38 2.345 2.007 6.871 1.00 0.00 H new ATOM 0 HB2 GLN A 38 1.123 4.081 8.719 1.00 0.00 H new ATOM 0 HB3 GLN A 38 0.367 2.550 8.322 1.00 0.00 H new ATOM 0 HG2 GLN A 38 2.269 1.326 9.294 1.00 0.00 H new ATOM 0 HG3 GLN A 38 3.097 2.834 9.627 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -0.407 2.386 9.981 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -0.434 2.483 11.745 1.00 0.00 H new ATOM 560 N TYR A 39 1.745 4.005 4.901 1.00 0.00 N ATOM 561 CA TYR A 39 0.993 4.474 3.749 1.00 0.00 C ATOM 562 C TYR A 39 1.361 3.671 2.515 1.00 0.00 C ATOM 563 O TYR A 39 2.392 3.000 2.484 1.00 0.00 O ATOM 564 CB TYR A 39 1.253 5.961 3.500 1.00 0.00 C ATOM 565 CG TYR A 39 0.684 6.861 4.571 1.00 0.00 C ATOM 566 CD1 TYR A 39 -0.681 6.891 4.818 1.00 0.00 C ATOM 567 CD2 TYR A 39 1.508 7.682 5.328 1.00 0.00 C ATOM 568 CE1 TYR A 39 -1.211 7.713 5.791 1.00 0.00 C ATOM 569 CE2 TYR A 39 0.985 8.507 6.306 1.00 0.00 C ATOM 570 CZ TYR A 39 -0.374 8.520 6.533 1.00 0.00 C ATOM 571 OH TYR A 39 -0.902 9.340 7.507 1.00 0.00 O ATOM 0 H TYR A 39 2.757 4.084 4.803 1.00 0.00 H new ATOM 0 HA TYR A 39 -0.068 4.337 3.958 1.00 0.00 H new ATOM 0 HB2 TYR A 39 2.328 6.127 3.431 1.00 0.00 H new ATOM 0 HB3 TYR A 39 0.825 6.240 2.537 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -1.339 6.260 4.239 1.00 0.00 H new ATOM 0 HD2 TYR A 39 2.573 7.676 5.150 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -2.276 7.725 5.971 1.00 0.00 H new ATOM 0 HE2 TYR A 39 1.639 9.138 6.890 1.00 0.00 H new ATOM 0 HH TYR A 39 -0.180 9.842 7.939 1.00 0.00 H new ATOM 581 N TYR A 40 0.510 3.741 1.508 1.00 0.00 N ATOM 582 CA TYR A 40 0.739 3.042 0.260 1.00 0.00 C ATOM 583 C TYR A 40 1.390 3.967 -0.751 1.00 0.00 C ATOM 584 O TYR A 40 1.052 5.144 -0.842 1.00 0.00 O ATOM 585 CB TYR A 40 -0.574 2.485 -0.288 1.00 0.00 C ATOM 586 CG TYR A 40 -1.143 1.378 0.565 1.00 0.00 C ATOM 587 CD1 TYR A 40 -2.116 1.638 1.521 1.00 0.00 C ATOM 588 CD2 TYR A 40 -0.690 0.074 0.424 1.00 0.00 C ATOM 589 CE1 TYR A 40 -2.621 0.626 2.313 1.00 0.00 C ATOM 590 CE2 TYR A 40 -1.193 -0.942 1.208 1.00 0.00 C ATOM 591 CZ TYR A 40 -2.156 -0.662 2.152 1.00 0.00 C ATOM 592 OH TYR A 40 -2.648 -1.669 2.945 1.00 0.00 O ATOM 0 H TYR A 40 -0.355 4.281 1.533 1.00 0.00 H new ATOM 0 HA TYR A 40 1.414 2.207 0.448 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -1.303 3.292 -0.361 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -0.411 2.111 -1.299 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -2.483 2.646 1.647 1.00 0.00 H new ATOM 0 HD2 TYR A 40 0.069 -0.148 -0.312 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -3.376 0.842 3.054 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -0.834 -1.953 1.083 1.00 0.00 H new ATOM 0 HH TYR A 40 -2.591 -2.521 2.464 1.00 0.00 H new ATOM 602 N TYR A 41 2.327 3.423 -1.496 1.00 0.00 N ATOM 603 CA TYR A 41 3.092 4.180 -2.455 1.00 0.00 C ATOM 604 C TYR A 41 2.786 3.698 -3.859 1.00 0.00 C ATOM 605 O TYR A 41 2.973 2.523 -4.182 1.00 0.00 O ATOM 606 CB TYR A 41 4.587 4.040 -2.155 1.00 0.00 C ATOM 607 CG TYR A 41 5.484 4.752 -3.143 1.00 0.00 C ATOM 608 CD1 TYR A 41 5.483 6.137 -3.241 1.00 0.00 C ATOM 609 CD2 TYR A 41 6.337 4.036 -3.973 1.00 0.00 C ATOM 610 CE1 TYR A 41 6.307 6.789 -4.136 1.00 0.00 C ATOM 611 CE2 TYR A 41 7.164 4.679 -4.872 1.00 0.00 C ATOM 612 CZ TYR A 41 7.145 6.057 -4.950 1.00 0.00 C ATOM 613 OH TYR A 41 7.970 6.709 -5.840 1.00 0.00 O ATOM 0 H TYR A 41 2.579 2.436 -1.451 1.00 0.00 H new ATOM 0 HA TYR A 41 2.818 5.232 -2.382 1.00 0.00 H new ATOM 0 HB2 TYR A 41 4.784 4.429 -1.156 1.00 0.00 H new ATOM 0 HB3 TYR A 41 4.847 2.981 -2.142 1.00 0.00 H new ATOM 0 HD1 TYR A 41 4.827 6.714 -2.606 1.00 0.00 H new ATOM 0 HD2 TYR A 41 6.354 2.958 -3.914 1.00 0.00 H new ATOM 0 HE1 TYR A 41 6.295 7.867 -4.198 1.00 0.00 H new ATOM 0 HE2 TYR A 41 7.822 4.108 -5.510 1.00 0.00 H new ATOM 0 HH TYR A 41 8.498 6.051 -6.339 1.00 0.00 H new ATOM 623 N ASN A 42 2.290 4.601 -4.675 1.00 0.00 N ATOM 624 CA ASN A 42 2.030 4.307 -6.070 1.00 0.00 C ATOM 625 C ASN A 42 3.323 4.473 -6.850 1.00 0.00 C ATOM 626 O ASN A 42 3.833 5.580 -6.974 1.00 0.00 O ATOM 627 CB ASN A 42 0.943 5.245 -6.610 1.00 0.00 C ATOM 628 CG ASN A 42 0.479 4.879 -8.009 1.00 0.00 C ATOM 629 OD1 ASN A 42 1.248 4.378 -8.827 1.00 0.00 O ATOM 630 ND2 ASN A 42 -0.787 5.136 -8.292 1.00 0.00 N ATOM 0 H ASN A 42 2.056 5.554 -4.395 1.00 0.00 H new ATOM 0 HA ASN A 42 1.673 3.283 -6.178 1.00 0.00 H new ATOM 0 HB2 ASN A 42 0.088 5.227 -5.934 1.00 0.00 H new ATOM 0 HB3 ASN A 42 1.323 6.266 -6.616 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -1.157 4.918 -9.217 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -1.393 5.552 -7.585 1.00 0.00 H new ATOM 637 N SER A 43 3.854 3.378 -7.368 1.00 0.00 N ATOM 638 CA SER A 43 5.162 3.398 -8.009 1.00 0.00 C ATOM 639 C SER A 43 5.106 4.057 -9.387 1.00 0.00 C ATOM 640 O SER A 43 6.142 4.389 -9.965 1.00 0.00 O ATOM 641 CB SER A 43 5.710 1.975 -8.124 1.00 0.00 C ATOM 642 OG SER A 43 7.016 1.971 -8.675 1.00 0.00 O ATOM 0 H SER A 43 3.401 2.464 -7.358 1.00 0.00 H new ATOM 0 HA SER A 43 5.830 3.993 -7.387 1.00 0.00 H new ATOM 0 HB2 SER A 43 5.727 1.508 -7.139 1.00 0.00 H new ATOM 0 HB3 SER A 43 5.047 1.377 -8.749 1.00 0.00 H new ATOM 0 HG SER A 43 7.143 2.775 -9.221 1.00 0.00 H new ATOM 648 N LEU A 44 3.902 4.248 -9.908 1.00 0.00 N ATOM 649 CA LEU A 44 3.734 4.854 -11.221 1.00 0.00 C ATOM 650 C LEU A 44 3.621 6.372 -11.109 1.00 0.00 C ATOM 651 O LEU A 44 4.276 7.107 -11.846 1.00 0.00 O ATOM 652 CB LEU A 44 2.493 4.283 -11.914 1.00 0.00 C ATOM 653 CG LEU A 44 2.190 4.859 -13.301 1.00 0.00 C ATOM 654 CD1 LEU A 44 3.339 4.585 -14.260 1.00 0.00 C ATOM 655 CD2 LEU A 44 0.892 4.278 -13.843 1.00 0.00 C ATOM 0 H LEU A 44 3.030 3.993 -9.444 1.00 0.00 H new ATOM 0 HA LEU A 44 4.614 4.619 -11.820 1.00 0.00 H new ATOM 0 HB2 LEU A 44 2.614 3.204 -12.006 1.00 0.00 H new ATOM 0 HB3 LEU A 44 1.629 4.453 -11.272 1.00 0.00 H new ATOM 0 HG LEU A 44 2.075 5.939 -13.208 1.00 0.00 H new ATOM 0 HD11 LEU A 44 3.103 5.002 -15.239 1.00 0.00 H new ATOM 0 HD12 LEU A 44 4.250 5.047 -13.878 1.00 0.00 H new ATOM 0 HD13 LEU A 44 3.489 3.509 -14.351 1.00 0.00 H new ATOM 0 HD21 LEU A 44 0.690 4.696 -14.829 1.00 0.00 H new ATOM 0 HD22 LEU A 44 0.983 3.195 -13.920 1.00 0.00 H new ATOM 0 HD23 LEU A 44 0.073 4.526 -13.168 1.00 0.00 H new ATOM 667 N THR A 45 2.802 6.837 -10.177 1.00 0.00 N ATOM 668 CA THR A 45 2.546 8.264 -10.031 1.00 0.00 C ATOM 669 C THR A 45 3.390 8.859 -8.903 1.00 0.00 C ATOM 670 O THR A 45 3.397 10.072 -8.681 1.00 0.00 O ATOM 671 CB THR A 45 1.053 8.516 -9.752 1.00 0.00 C ATOM 672 OG1 THR A 45 0.262 7.584 -10.504 1.00 0.00 O ATOM 673 CG2 THR A 45 0.660 9.939 -10.130 1.00 0.00 C ATOM 0 H THR A 45 2.303 6.248 -9.510 1.00 0.00 H new ATOM 0 HA THR A 45 2.823 8.751 -10.966 1.00 0.00 H new ATOM 0 HB THR A 45 0.873 8.381 -8.685 1.00 0.00 H new ATOM 0 HG1 THR A 45 -0.688 7.743 -10.325 1.00 0.00 H new ATOM 0 HG21 THR A 45 -0.399 10.091 -9.923 1.00 0.00 H new ATOM 0 HG22 THR A 45 1.249 10.646 -9.546 1.00 0.00 H new ATOM 0 HG23 THR A 45 0.849 10.099 -11.192 1.00 0.00 H new ATOM 681 N GLN A 46 4.095 7.978 -8.193 1.00 0.00 N ATOM 682 CA GLN A 46 5.010 8.367 -7.120 1.00 0.00 C ATOM 683 C GLN A 46 4.266 9.083 -5.991 1.00 0.00 C ATOM 684 O GLN A 46 4.827 9.928 -5.293 1.00 0.00 O ATOM 685 CB GLN A 46 6.135 9.245 -7.678 1.00 0.00 C ATOM 686 CG GLN A 46 6.906 8.583 -8.812 1.00 0.00 C ATOM 687 CD GLN A 46 7.886 9.525 -9.490 1.00 0.00 C ATOM 688 OE1 GLN A 46 8.924 9.101 -9.999 1.00 0.00 O ATOM 689 NE2 GLN A 46 7.564 10.810 -9.506 1.00 0.00 N ATOM 0 H GLN A 46 4.047 6.971 -8.347 1.00 0.00 H new ATOM 0 HA GLN A 46 5.451 7.463 -6.700 1.00 0.00 H new ATOM 0 HB2 GLN A 46 5.711 10.184 -8.035 1.00 0.00 H new ATOM 0 HB3 GLN A 46 6.827 9.493 -6.873 1.00 0.00 H new ATOM 0 HG2 GLN A 46 7.449 7.722 -8.421 1.00 0.00 H new ATOM 0 HG3 GLN A 46 6.201 8.206 -9.553 1.00 0.00 H new ATOM 0 HE21 GLN A 46 6.695 11.123 -9.074 1.00 0.00 H new ATOM 0 HE22 GLN A 46 8.185 11.486 -9.951 1.00 0.00 H new ATOM 698 N GLN A 47 3.003 8.716 -5.807 1.00 0.00 N ATOM 699 CA GLN A 47 2.155 9.359 -4.813 1.00 0.00 C ATOM 700 C GLN A 47 1.899 8.426 -3.635 1.00 0.00 C ATOM 701 O GLN A 47 2.164 7.224 -3.712 1.00 0.00 O ATOM 702 CB GLN A 47 0.824 9.775 -5.444 1.00 0.00 C ATOM 703 CG GLN A 47 -0.050 8.604 -5.855 1.00 0.00 C ATOM 704 CD GLN A 47 -1.333 9.038 -6.535 1.00 0.00 C ATOM 705 OE1 GLN A 47 -1.392 9.153 -7.754 1.00 0.00 O ATOM 706 NE2 GLN A 47 -2.367 9.285 -5.748 1.00 0.00 N ATOM 0 H GLN A 47 2.544 7.974 -6.335 1.00 0.00 H new ATOM 0 HA GLN A 47 2.672 10.246 -4.447 1.00 0.00 H new ATOM 0 HB2 GLN A 47 0.275 10.396 -4.736 1.00 0.00 H new ATOM 0 HB3 GLN A 47 1.025 10.392 -6.320 1.00 0.00 H new ATOM 0 HG2 GLN A 47 0.511 7.956 -6.528 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -0.294 8.012 -4.973 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -2.276 9.177 -4.738 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -3.255 9.583 -6.151 1.00 0.00 H new ATOM 715 N TYR A 48 1.373 8.985 -2.556 1.00 0.00 N ATOM 716 CA TYR A 48 1.076 8.216 -1.360 1.00 0.00 C ATOM 717 C TYR A 48 -0.419 8.156 -1.115 1.00 0.00 C ATOM 718 O TYR A 48 -1.136 9.141 -1.302 1.00 0.00 O ATOM 719 CB TYR A 48 1.789 8.806 -0.145 1.00 0.00 C ATOM 720 CG TYR A 48 3.227 8.366 -0.027 1.00 0.00 C ATOM 721 CD1 TYR A 48 3.592 7.382 0.880 1.00 0.00 C ATOM 722 CD2 TYR A 48 4.216 8.923 -0.827 1.00 0.00 C ATOM 723 CE1 TYR A 48 4.900 6.964 0.992 1.00 0.00 C ATOM 724 CE2 TYR A 48 5.532 8.511 -0.721 1.00 0.00 C ATOM 725 CZ TYR A 48 5.868 7.530 0.191 1.00 0.00 C ATOM 726 OH TYR A 48 7.175 7.112 0.301 1.00 0.00 O ATOM 0 H TYR A 48 1.142 9.976 -2.486 1.00 0.00 H new ATOM 0 HA TYR A 48 1.441 7.201 -1.515 1.00 0.00 H new ATOM 0 HB2 TYR A 48 1.752 9.894 -0.203 1.00 0.00 H new ATOM 0 HB3 TYR A 48 1.252 8.517 0.759 1.00 0.00 H new ATOM 0 HD1 TYR A 48 2.837 6.935 1.510 1.00 0.00 H new ATOM 0 HD2 TYR A 48 3.954 9.689 -1.542 1.00 0.00 H new ATOM 0 HE1 TYR A 48 5.165 6.197 1.704 1.00 0.00 H new ATOM 0 HE2 TYR A 48 6.292 8.954 -1.348 1.00 0.00 H new ATOM 0 HH TYR A 48 7.732 7.609 -0.334 1.00 0.00 H new ATOM 736 N LEU A 49 -0.874 6.997 -0.683 1.00 0.00 N ATOM 737 CA LEU A 49 -2.293 6.729 -0.525 1.00 0.00 C ATOM 738 C LEU A 49 -2.556 6.012 0.791 1.00 0.00 C ATOM 739 O LEU A 49 -1.632 5.501 1.423 1.00 0.00 O ATOM 740 CB LEU A 49 -2.786 5.859 -1.684 1.00 0.00 C ATOM 741 CG LEU A 49 -2.595 6.461 -3.077 1.00 0.00 C ATOM 742 CD1 LEU A 49 -2.627 5.377 -4.140 1.00 0.00 C ATOM 743 CD2 LEU A 49 -3.669 7.495 -3.354 1.00 0.00 C ATOM 0 H LEU A 49 -0.272 6.213 -0.431 1.00 0.00 H new ATOM 0 HA LEU A 49 -2.828 7.679 -0.524 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -2.267 4.902 -1.645 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -3.846 5.653 -1.537 1.00 0.00 H new ATOM 0 HG LEU A 49 -1.620 6.947 -3.109 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -2.489 5.827 -5.123 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -1.827 4.661 -3.954 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -3.588 4.864 -4.107 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -3.521 7.916 -4.349 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -4.650 7.023 -3.301 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -3.609 8.290 -2.611 1.00 0.00 H new ATOM 755 N TYR A 50 -3.811 5.983 1.197 1.00 0.00 N ATOM 756 CA TYR A 50 -4.224 5.225 2.367 1.00 0.00 C ATOM 757 C TYR A 50 -5.573 4.578 2.085 1.00 0.00 C ATOM 758 O TYR A 50 -6.319 5.042 1.218 1.00 0.00 O ATOM 759 CB TYR A 50 -4.311 6.128 3.606 1.00 0.00 C ATOM 760 CG TYR A 50 -5.463 7.107 3.582 1.00 0.00 C ATOM 761 CD1 TYR A 50 -6.671 6.795 4.194 1.00 0.00 C ATOM 762 CD2 TYR A 50 -5.347 8.335 2.949 1.00 0.00 C ATOM 763 CE1 TYR A 50 -7.730 7.678 4.174 1.00 0.00 C ATOM 764 CE2 TYR A 50 -6.401 9.225 2.925 1.00 0.00 C ATOM 765 CZ TYR A 50 -7.591 8.893 3.539 1.00 0.00 C ATOM 766 OH TYR A 50 -8.647 9.775 3.514 1.00 0.00 O ATOM 0 H TYR A 50 -4.570 6.480 0.730 1.00 0.00 H new ATOM 0 HA TYR A 50 -3.482 4.454 2.573 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -4.401 5.501 4.493 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -3.379 6.684 3.702 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -6.782 5.844 4.694 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -4.417 8.599 2.467 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -8.663 7.419 4.653 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -6.295 10.178 2.428 1.00 0.00 H new ATOM 0 HH TYR A 50 -8.385 10.585 3.028 1.00 0.00 H new ATOM 776 N TRP A 51 -5.878 3.511 2.800 1.00 0.00 N ATOM 777 CA TRP A 51 -7.133 2.803 2.612 1.00 0.00 C ATOM 778 C TRP A 51 -8.227 3.384 3.501 1.00 0.00 C ATOM 779 O TRP A 51 -8.058 3.503 4.716 1.00 0.00 O ATOM 780 CB TRP A 51 -6.947 1.313 2.910 1.00 0.00 C ATOM 781 CG TRP A 51 -8.218 0.519 2.834 1.00 0.00 C ATOM 782 CD1 TRP A 51 -8.973 0.074 3.883 1.00 0.00 C ATOM 783 CD2 TRP A 51 -8.884 0.078 1.647 1.00 0.00 C ATOM 784 NE1 TRP A 51 -10.063 -0.621 3.418 1.00 0.00 N ATOM 785 CE2 TRP A 51 -10.030 -0.630 2.050 1.00 0.00 C ATOM 786 CE3 TRP A 51 -8.622 0.213 0.281 1.00 0.00 C ATOM 787 CZ2 TRP A 51 -10.911 -1.201 1.139 1.00 0.00 C ATOM 788 CZ3 TRP A 51 -9.498 -0.354 -0.622 1.00 0.00 C ATOM 789 CH2 TRP A 51 -10.631 -1.053 -0.190 1.00 0.00 C ATOM 0 H TRP A 51 -5.273 3.114 3.519 1.00 0.00 H new ATOM 0 HA TRP A 51 -7.440 2.923 1.573 1.00 0.00 H new ATOM 0 HB2 TRP A 51 -6.227 0.898 2.205 1.00 0.00 H new ATOM 0 HB3 TRP A 51 -6.518 1.202 3.906 1.00 0.00 H new ATOM 0 HD1 TRP A 51 -8.746 0.244 4.925 1.00 0.00 H new ATOM 0 HE1 TRP A 51 -10.779 -1.059 3.997 1.00 0.00 H new ATOM 0 HE3 TRP A 51 -7.750 0.751 -0.062 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 -11.785 -1.742 1.470 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 -9.306 -0.257 -1.680 1.00 0.00 H new ATOM 0 HH2 TRP A 51 -11.298 -1.484 -0.922 1.00 0.00 H new ATOM 800 N ASP A 52 -9.338 3.761 2.886 1.00 0.00 N ATOM 801 CA ASP A 52 -10.509 4.202 3.631 1.00 0.00 C ATOM 802 C ASP A 52 -11.553 3.096 3.633 1.00 0.00 C ATOM 803 O ASP A 52 -11.966 2.623 2.570 1.00 0.00 O ATOM 804 CB ASP A 52 -11.099 5.481 3.031 1.00 0.00 C ATOM 805 CG ASP A 52 -12.309 5.967 3.806 1.00 0.00 C ATOM 806 OD1 ASP A 52 -13.441 5.602 3.439 1.00 0.00 O ATOM 807 OD2 ASP A 52 -12.134 6.701 4.799 1.00 0.00 O ATOM 0 H ASP A 52 -9.454 3.771 1.873 1.00 0.00 H new ATOM 0 HA ASP A 52 -10.205 4.423 4.654 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -10.338 6.261 3.021 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -11.382 5.298 1.994 1.00 0.00 H new ATOM 812 N GLY A 53 -11.978 2.694 4.824 1.00 0.00 N ATOM 813 CA GLY A 53 -12.862 1.550 4.960 1.00 0.00 C ATOM 814 C GLY A 53 -14.276 1.826 4.492 1.00 0.00 C ATOM 815 O GLY A 53 -15.025 0.896 4.187 1.00 0.00 O ATOM 0 H GLY A 53 -11.725 3.143 5.704 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -12.455 0.715 4.390 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -12.886 1.241 6.005 1.00 0.00 H new ATOM 819 N GLU A 54 -14.648 3.095 4.431 1.00 0.00 N ATOM 820 CA GLU A 54 -15.995 3.462 4.025 1.00 0.00 C ATOM 821 C GLU A 54 -16.093 3.561 2.509 1.00 0.00 C ATOM 822 O GLU A 54 -16.975 2.959 1.894 1.00 0.00 O ATOM 823 CB GLU A 54 -16.404 4.788 4.667 1.00 0.00 C ATOM 824 CG GLU A 54 -17.825 5.214 4.334 1.00 0.00 C ATOM 825 CD GLU A 54 -18.856 4.194 4.771 1.00 0.00 C ATOM 826 OE1 GLU A 54 -19.255 3.350 3.942 1.00 0.00 O ATOM 827 OE2 GLU A 54 -19.273 4.235 5.945 1.00 0.00 O ATOM 0 H GLU A 54 -14.041 3.883 4.656 1.00 0.00 H new ATOM 0 HA GLU A 54 -16.677 2.682 4.365 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -16.303 4.704 5.749 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -15.715 5.567 4.342 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -18.037 6.169 4.816 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -17.910 5.374 3.259 1.00 0.00 H new ATOM 834 N LYS A 55 -15.174 4.310 1.911 1.00 0.00 N ATOM 835 CA LYS A 55 -15.184 4.534 0.470 1.00 0.00 C ATOM 836 C LYS A 55 -14.722 3.296 -0.284 1.00 0.00 C ATOM 837 O LYS A 55 -14.973 3.161 -1.482 1.00 0.00 O ATOM 838 CB LYS A 55 -14.279 5.712 0.100 1.00 0.00 C ATOM 839 CG LYS A 55 -14.655 7.021 0.769 1.00 0.00 C ATOM 840 CD LYS A 55 -13.704 8.138 0.375 1.00 0.00 C ATOM 841 CE LYS A 55 -14.060 9.442 1.068 1.00 0.00 C ATOM 842 NZ LYS A 55 -13.199 10.566 0.616 1.00 0.00 N ATOM 0 H LYS A 55 -14.410 4.774 2.403 1.00 0.00 H new ATOM 0 HA LYS A 55 -16.211 4.759 0.184 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -13.252 5.463 0.366 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -14.304 5.849 -0.981 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -15.673 7.294 0.492 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -14.642 6.895 1.852 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -12.683 7.855 0.631 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -13.734 8.279 -0.705 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -15.105 9.684 0.871 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -13.959 9.319 2.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -13.475 11.437 1.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -12.204 10.348 0.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -13.314 10.701 -0.409 1.00 0.00 H new ATOM 856 N GLU A 56 -14.040 2.403 0.437 1.00 0.00 N ATOM 857 CA GLU A 56 -13.482 1.184 -0.140 1.00 0.00 C ATOM 858 C GLU A 56 -12.543 1.523 -1.294 1.00 0.00 C ATOM 859 O GLU A 56 -12.629 0.948 -2.382 1.00 0.00 O ATOM 860 CB GLU A 56 -14.596 0.235 -0.598 1.00 0.00 C ATOM 861 CG GLU A 56 -15.477 -0.249 0.544 1.00 0.00 C ATOM 862 CD GLU A 56 -16.580 -1.181 0.086 1.00 0.00 C ATOM 863 OE1 GLU A 56 -16.379 -2.414 0.125 1.00 0.00 O ATOM 864 OE2 GLU A 56 -17.659 -0.687 -0.301 1.00 0.00 O ATOM 0 H GLU A 56 -13.861 2.507 1.436 1.00 0.00 H new ATOM 0 HA GLU A 56 -12.906 0.672 0.630 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -15.216 0.743 -1.337 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -14.149 -0.627 -1.094 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -14.858 -0.761 1.281 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -15.921 0.612 1.044 1.00 0.00 H new ATOM 871 N THR A 57 -11.642 2.464 -1.040 1.00 0.00 N ATOM 872 CA THR A 57 -10.712 2.930 -2.055 1.00 0.00 C ATOM 873 C THR A 57 -9.466 3.531 -1.404 1.00 0.00 C ATOM 874 O THR A 57 -9.428 3.739 -0.187 1.00 0.00 O ATOM 875 CB THR A 57 -11.379 3.983 -2.970 1.00 0.00 C ATOM 876 OG1 THR A 57 -10.533 4.271 -4.092 1.00 0.00 O ATOM 877 CG2 THR A 57 -11.669 5.272 -2.209 1.00 0.00 C ATOM 0 H THR A 57 -11.537 2.920 -0.134 1.00 0.00 H new ATOM 0 HA THR A 57 -10.420 2.072 -2.661 1.00 0.00 H new ATOM 0 HB THR A 57 -12.324 3.568 -3.321 1.00 0.00 H new ATOM 0 HG1 THR A 57 -10.966 4.937 -4.665 1.00 0.00 H new ATOM 0 HG21 THR A 57 -12.138 5.993 -2.879 1.00 0.00 H new ATOM 0 HG22 THR A 57 -12.341 5.060 -1.377 1.00 0.00 H new ATOM 0 HG23 THR A 57 -10.736 5.686 -1.826 1.00 0.00 H new ATOM 885 N TYR A 58 -8.451 3.796 -2.218 1.00 0.00 N ATOM 886 CA TYR A 58 -7.217 4.400 -1.739 1.00 0.00 C ATOM 887 C TYR A 58 -7.220 5.893 -2.042 1.00 0.00 C ATOM 888 O TYR A 58 -7.281 6.304 -3.204 1.00 0.00 O ATOM 889 CB TYR A 58 -5.997 3.743 -2.391 1.00 0.00 C ATOM 890 CG TYR A 58 -5.864 2.264 -2.097 1.00 0.00 C ATOM 891 CD1 TYR A 58 -5.166 1.818 -0.981 1.00 0.00 C ATOM 892 CD2 TYR A 58 -6.431 1.313 -2.940 1.00 0.00 C ATOM 893 CE1 TYR A 58 -5.038 0.467 -0.714 1.00 0.00 C ATOM 894 CE2 TYR A 58 -6.308 -0.036 -2.676 1.00 0.00 C ATOM 895 CZ TYR A 58 -5.611 -0.454 -1.565 1.00 0.00 C ATOM 896 OH TYR A 58 -5.486 -1.797 -1.305 1.00 0.00 O ATOM 0 H TYR A 58 -8.461 3.600 -3.219 1.00 0.00 H new ATOM 0 HA TYR A 58 -7.157 4.247 -0.662 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -6.054 3.885 -3.470 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -5.096 4.253 -2.050 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -4.717 2.537 -0.312 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -6.976 1.636 -3.815 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -4.492 0.135 0.157 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -6.757 -0.761 -3.339 1.00 0.00 H new ATOM 0 HH TYR A 58 -5.172 -2.258 -2.111 1.00 0.00 H new ATOM 906 N VAL A 59 -7.157 6.695 -0.995 1.00 0.00 N ATOM 907 CA VAL A 59 -7.200 8.143 -1.130 1.00 0.00 C ATOM 908 C VAL A 59 -5.809 8.701 -0.861 1.00 0.00 C ATOM 909 O VAL A 59 -5.068 8.143 -0.054 1.00 0.00 O ATOM 910 CB VAL A 59 -8.200 8.778 -0.135 1.00 0.00 C ATOM 911 CG1 VAL A 59 -8.815 10.046 -0.706 1.00 0.00 C ATOM 912 CG2 VAL A 59 -9.286 7.788 0.269 1.00 0.00 C ATOM 0 H VAL A 59 -7.075 6.366 -0.033 1.00 0.00 H new ATOM 0 HA VAL A 59 -7.529 8.385 -2.141 1.00 0.00 H new ATOM 0 HB VAL A 59 -7.640 9.047 0.761 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -9.513 10.469 0.016 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -8.027 10.770 -0.916 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -9.346 9.810 -1.628 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -9.972 8.266 0.969 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -9.835 7.469 -0.617 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -8.829 6.920 0.745 1.00 0.00 H new ATOM 922 N PRO A 60 -5.418 9.772 -1.565 1.00 0.00 N ATOM 923 CA PRO A 60 -4.122 10.417 -1.364 1.00 0.00 C ATOM 924 C PRO A 60 -3.905 10.829 0.087 1.00 0.00 C ATOM 925 O PRO A 60 -4.684 11.603 0.650 1.00 0.00 O ATOM 926 CB PRO A 60 -4.184 11.650 -2.263 1.00 0.00 C ATOM 927 CG PRO A 60 -5.221 11.340 -3.283 1.00 0.00 C ATOM 928 CD PRO A 60 -6.200 10.415 -2.630 1.00 0.00 C ATOM 0 HA PRO A 60 -3.296 9.747 -1.602 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -4.448 12.540 -1.692 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -3.219 11.845 -2.730 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -5.715 12.250 -3.622 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -4.774 10.874 -4.161 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -7.055 10.957 -2.227 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -6.591 9.683 -3.337 1.00 0.00 H new ATOM 936 N ALA A 61 -2.830 10.319 0.670 1.00 0.00 N ATOM 937 CA ALA A 61 -2.518 10.566 2.072 1.00 0.00 C ATOM 938 C ALA A 61 -2.040 11.996 2.282 1.00 0.00 C ATOM 939 O ALA A 61 -2.235 12.577 3.351 1.00 0.00 O ATOM 940 CB ALA A 61 -1.474 9.577 2.560 1.00 0.00 C ATOM 0 H ALA A 61 -2.153 9.726 0.190 1.00 0.00 H new ATOM 0 HA ALA A 61 -3.429 10.429 2.654 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -1.250 9.772 3.609 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -1.857 8.562 2.454 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -0.565 9.686 1.968 1.00 0.00 H new ATOM 946 N ALA A 62 -1.409 12.557 1.259 1.00 0.00 N ATOM 947 CA ALA A 62 -0.986 13.948 1.295 1.00 0.00 C ATOM 948 C ALA A 62 -2.195 14.851 1.093 1.00 0.00 C ATOM 949 O ALA A 62 -2.528 15.215 -0.036 1.00 0.00 O ATOM 950 CB ALA A 62 0.074 14.214 0.234 1.00 0.00 C ATOM 0 H ALA A 62 -1.179 12.068 0.394 1.00 0.00 H new ATOM 0 HA ALA A 62 -0.543 14.163 2.267 1.00 0.00 H new ATOM 0 HB1 ALA A 62 0.377 15.260 0.277 1.00 0.00 H new ATOM 0 HB2 ALA A 62 0.940 13.577 0.417 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -0.335 13.995 -0.752 1.00 0.00 H new ATOM 956 N GLU A 63 -2.858 15.179 2.194 1.00 0.00 N ATOM 957 CA GLU A 63 -4.089 15.958 2.162 1.00 0.00 C ATOM 958 C GLU A 63 -3.842 17.360 1.620 1.00 0.00 C ATOM 959 O GLU A 63 -3.515 18.286 2.362 1.00 0.00 O ATOM 960 CB GLU A 63 -4.713 16.018 3.557 1.00 0.00 C ATOM 961 CG GLU A 63 -5.081 14.646 4.097 1.00 0.00 C ATOM 962 CD GLU A 63 -5.650 14.686 5.497 1.00 0.00 C ATOM 963 OE1 GLU A 63 -6.892 14.687 5.640 1.00 0.00 O ATOM 964 OE2 GLU A 63 -4.857 14.695 6.462 1.00 0.00 O ATOM 0 H GLU A 63 -2.559 14.913 3.132 1.00 0.00 H new ATOM 0 HA GLU A 63 -4.787 15.462 1.488 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -4.014 16.498 4.242 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -5.606 16.642 3.524 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -5.809 14.184 3.430 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -4.195 14.011 4.091 1.00 0.00 H new ATOM 971 N SER A 64 -3.991 17.488 0.313 1.00 0.00 N ATOM 972 CA SER A 64 -3.801 18.743 -0.378 1.00 0.00 C ATOM 973 C SER A 64 -4.513 18.689 -1.724 1.00 0.00 C ATOM 974 O SER A 64 -4.183 17.798 -2.538 1.00 0.00 O ATOM 975 CB SER A 64 -2.305 19.037 -0.547 1.00 0.00 C ATOM 976 OG SER A 64 -1.579 17.857 -0.865 1.00 0.00 O ATOM 977 OXT SER A 64 -5.421 19.513 -1.949 1.00 0.00 O ATOM 0 H SER A 64 -4.249 16.715 -0.300 1.00 0.00 H new ATOM 0 HA SER A 64 -4.230 19.555 0.209 1.00 0.00 H new ATOM 0 HB2 SER A 64 -2.164 19.776 -1.335 1.00 0.00 H new ATOM 0 HB3 SER A 64 -1.912 19.472 0.372 1.00 0.00 H new ATOM 0 HG SER A 64 -2.088 17.324 -1.510 1.00 0.00 H new TER 983 SER A 64