USER MOD reduce.3.24.130724 H: found=0, std=0, add=796, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 794 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 37 SER OG : rot 118:sc= 0.0556 USER MOD Set 1.2: A 69 HIS : no HD1:sc= -4.18! C(o=-3.3!,f=-1.3!) USER MOD Set 1.3: A 87 TYR OH : rot -76:sc= 0.819 USER MOD Set 2.1: A 64 ASN : amide:sc= -3.79! K(o=-4.7!,f=-1.8) USER MOD Set 2.2: A 68 THR OG1 : rot 180:sc= -0.869 USER MOD Set 2.3: A 70 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 60 ASN : amide:sc= -2.76! K(o=-3.3!,f=-1.3) USER MOD Set 3.2: A 72 THR OG1 : rot 180:sc= -0.582 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= -0.03 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= -3.73! C(o=-3.7!,f=-4!) USER MOD Single : A 32 SER OG : rot 180:sc= -0.005 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot -93:sc= 0.547 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 TYR OH : rot 173:sc= 0.607 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 GLN : amide:sc= -0.418 K(o=-0.42,f=-1!) USER MOD Single : A 81 TYR OH : rot 180:sc= -0.762 USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 142:sc= -1.8 (180deg=-3.9!) USER MOD Single : A 95 SER OG : rot -149:sc= -0.873 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ -117:sc= 0 (180deg=-0.562) USER MOD Single : A 104 THR OG1 : rot -39:sc= -0.0447 USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -14.590 33.595 -0.276 1.00 0.00 N ATOM 2 CA GLY A 1 -13.234 33.948 -0.655 1.00 0.00 C ATOM 3 C GLY A 1 -12.197 33.090 0.041 1.00 0.00 C ATOM 4 O GLY A 1 -12.298 32.829 1.240 1.00 0.00 O ATOM 0 H1 GLY A 1 -15.262 34.210 -0.778 1.00 0.00 H new ATOM 0 H2 GLY A 1 -14.774 32.603 -0.528 1.00 0.00 H new ATOM 0 H3 GLY A 1 -14.707 33.719 0.750 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -13.123 33.844 -1.734 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -13.054 34.996 -0.416 1.00 0.00 H new ATOM 8 N SER A 2 -11.195 32.648 -0.714 1.00 0.00 N ATOM 9 CA SER A 2 -10.137 31.808 -0.163 1.00 0.00 C ATOM 10 C SER A 2 -8.908 31.824 -1.067 1.00 0.00 C ATOM 11 O SER A 2 -9.017 31.697 -2.286 1.00 0.00 O ATOM 12 CB SER A 2 -10.635 30.373 0.014 1.00 0.00 C ATOM 13 OG SER A 2 -9.567 29.497 0.330 1.00 0.00 O ATOM 0 H SER A 2 -11.094 32.857 -1.707 1.00 0.00 H new ATOM 0 HA SER A 2 -9.857 32.209 0.811 1.00 0.00 H new ATOM 0 HB2 SER A 2 -11.383 30.340 0.806 1.00 0.00 H new ATOM 0 HB3 SER A 2 -11.124 30.039 -0.901 1.00 0.00 H new ATOM 0 HG SER A 2 -9.912 28.586 0.440 1.00 0.00 H new ATOM 19 N SER A 3 -7.736 31.979 -0.459 1.00 0.00 N ATOM 20 CA SER A 3 -6.485 32.015 -1.206 1.00 0.00 C ATOM 21 C SER A 3 -5.328 31.500 -0.355 1.00 0.00 C ATOM 22 O SER A 3 -5.266 31.753 0.847 1.00 0.00 O ATOM 23 CB SER A 3 -6.190 33.439 -1.680 1.00 0.00 C ATOM 24 OG SER A 3 -7.237 33.932 -2.498 1.00 0.00 O ATOM 0 H SER A 3 -7.627 32.082 0.550 1.00 0.00 H new ATOM 0 HA SER A 3 -6.591 31.365 -2.075 1.00 0.00 H new ATOM 0 HB2 SER A 3 -6.060 34.093 -0.818 1.00 0.00 H new ATOM 0 HB3 SER A 3 -5.253 33.454 -2.236 1.00 0.00 H new ATOM 0 HG SER A 3 -7.025 34.844 -2.786 1.00 0.00 H new ATOM 30 N GLY A 4 -4.412 30.775 -0.990 1.00 0.00 N ATOM 31 CA GLY A 4 -3.269 30.235 -0.276 1.00 0.00 C ATOM 32 C GLY A 4 -2.339 29.451 -1.181 1.00 0.00 C ATOM 33 O GLY A 4 -2.368 29.609 -2.401 1.00 0.00 O ATOM 0 H GLY A 4 -4.441 30.552 -1.985 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -2.716 31.051 0.189 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -3.619 29.588 0.528 1.00 0.00 H new ATOM 37 N SER A 5 -1.508 28.604 -0.581 1.00 0.00 N ATOM 38 CA SER A 5 -0.560 27.797 -1.340 1.00 0.00 C ATOM 39 C SER A 5 -0.555 26.354 -0.843 1.00 0.00 C ATOM 40 O SER A 5 -0.909 26.080 0.304 1.00 0.00 O ATOM 41 CB SER A 5 0.846 28.389 -1.236 1.00 0.00 C ATOM 42 OG SER A 5 1.635 28.033 -2.358 1.00 0.00 O ATOM 0 H SER A 5 -1.472 28.459 0.428 1.00 0.00 H new ATOM 0 HA SER A 5 -0.871 27.803 -2.385 1.00 0.00 H new ATOM 0 HB2 SER A 5 0.782 29.475 -1.163 1.00 0.00 H new ATOM 0 HB3 SER A 5 1.326 28.036 -0.323 1.00 0.00 H new ATOM 0 HG SER A 5 2.528 28.426 -2.267 1.00 0.00 H new ATOM 48 N SER A 6 -0.150 25.436 -1.714 1.00 0.00 N ATOM 49 CA SER A 6 -0.101 24.021 -1.366 1.00 0.00 C ATOM 50 C SER A 6 1.190 23.688 -0.624 1.00 0.00 C ATOM 51 O SER A 6 1.798 22.642 -0.851 1.00 0.00 O ATOM 52 CB SER A 6 -0.214 23.160 -2.625 1.00 0.00 C ATOM 53 OG SER A 6 0.888 23.371 -3.489 1.00 0.00 O ATOM 0 H SER A 6 0.149 25.647 -2.666 1.00 0.00 H new ATOM 0 HA SER A 6 -0.944 23.805 -0.709 1.00 0.00 H new ATOM 0 HB2 SER A 6 -0.265 22.108 -2.346 1.00 0.00 H new ATOM 0 HB3 SER A 6 -1.141 23.396 -3.148 1.00 0.00 H new ATOM 0 HG SER A 6 0.792 22.808 -4.285 1.00 0.00 H new ATOM 59 N GLY A 7 1.603 24.586 0.265 1.00 0.00 N ATOM 60 CA GLY A 7 2.819 24.372 1.028 1.00 0.00 C ATOM 61 C GLY A 7 2.629 23.370 2.151 1.00 0.00 C ATOM 62 O GLY A 7 3.250 22.308 2.156 1.00 0.00 O ATOM 0 H GLY A 7 1.117 25.459 0.471 1.00 0.00 H new ATOM 0 HA2 GLY A 7 3.606 24.021 0.361 1.00 0.00 H new ATOM 0 HA3 GLY A 7 3.155 25.321 1.445 1.00 0.00 H new ATOM 66 N VAL A 8 1.770 23.711 3.106 1.00 0.00 N ATOM 67 CA VAL A 8 1.501 22.835 4.240 1.00 0.00 C ATOM 68 C VAL A 8 1.352 21.385 3.792 1.00 0.00 C ATOM 69 O VAL A 8 1.019 21.113 2.639 1.00 0.00 O ATOM 70 CB VAL A 8 0.225 23.263 4.990 1.00 0.00 C ATOM 71 CG1 VAL A 8 -1.001 23.066 4.111 1.00 0.00 C ATOM 72 CG2 VAL A 8 0.088 22.488 6.292 1.00 0.00 C ATOM 0 H VAL A 8 1.248 24.588 3.117 1.00 0.00 H new ATOM 0 HA VAL A 8 2.354 22.918 4.913 1.00 0.00 H new ATOM 0 HB VAL A 8 0.303 24.323 5.231 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -1.893 23.373 4.657 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -0.902 23.669 3.208 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -1.087 22.014 3.837 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -0.818 22.803 6.809 1.00 0.00 H new ATOM 0 HG22 VAL A 8 0.031 21.421 6.076 1.00 0.00 H new ATOM 0 HG23 VAL A 8 0.953 22.684 6.925 1.00 0.00 H new ATOM 82 N VAL A 9 1.602 20.459 4.711 1.00 0.00 N ATOM 83 CA VAL A 9 1.494 19.036 4.412 1.00 0.00 C ATOM 84 C VAL A 9 0.132 18.489 4.822 1.00 0.00 C ATOM 85 O VAL A 9 -0.339 18.736 5.933 1.00 0.00 O ATOM 86 CB VAL A 9 2.595 18.227 5.124 1.00 0.00 C ATOM 87 CG1 VAL A 9 2.362 16.735 4.946 1.00 0.00 C ATOM 88 CG2 VAL A 9 3.968 18.625 4.605 1.00 0.00 C ATOM 0 H VAL A 9 1.881 20.668 5.670 1.00 0.00 H new ATOM 0 HA VAL A 9 1.615 18.930 3.334 1.00 0.00 H new ATOM 0 HB VAL A 9 2.555 18.452 6.190 1.00 0.00 H new ATOM 0 HG11 VAL A 9 3.150 16.180 5.456 1.00 0.00 H new ATOM 0 HG12 VAL A 9 1.395 16.465 5.370 1.00 0.00 H new ATOM 0 HG13 VAL A 9 2.374 16.489 3.884 1.00 0.00 H new ATOM 0 HG21 VAL A 9 4.734 18.044 5.119 1.00 0.00 H new ATOM 0 HG22 VAL A 9 4.023 18.430 3.534 1.00 0.00 H new ATOM 0 HG23 VAL A 9 4.133 19.686 4.790 1.00 0.00 H new ATOM 98 N ASP A 10 -0.497 17.745 3.919 1.00 0.00 N ATOM 99 CA ASP A 10 -1.807 17.162 4.187 1.00 0.00 C ATOM 100 C ASP A 10 -1.812 15.671 3.867 1.00 0.00 C ATOM 101 O ASP A 10 -1.990 15.257 2.722 1.00 0.00 O ATOM 102 CB ASP A 10 -2.885 17.876 3.369 1.00 0.00 C ATOM 103 CG ASP A 10 -3.424 19.107 4.070 1.00 0.00 C ATOM 104 OD1 ASP A 10 -3.490 19.097 5.318 1.00 0.00 O ATOM 105 OD2 ASP A 10 -3.779 20.079 3.373 1.00 0.00 O ATOM 0 H ASP A 10 -0.121 17.531 2.995 1.00 0.00 H new ATOM 0 HA ASP A 10 -2.024 17.289 5.248 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -2.472 18.164 2.402 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -3.705 17.185 3.173 1.00 0.00 H new ATOM 110 N PRO A 11 -1.612 14.842 4.903 1.00 0.00 N ATOM 111 CA PRO A 11 -1.589 13.384 4.758 1.00 0.00 C ATOM 112 C PRO A 11 -2.966 12.812 4.440 1.00 0.00 C ATOM 113 O PRO A 11 -3.119 11.603 4.259 1.00 0.00 O ATOM 114 CB PRO A 11 -1.111 12.898 6.129 1.00 0.00 C ATOM 115 CG PRO A 11 -1.503 13.983 7.072 1.00 0.00 C ATOM 116 CD PRO A 11 -1.393 15.266 6.296 1.00 0.00 C ATOM 0 HA PRO A 11 -0.952 13.066 3.933 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -1.578 11.951 6.399 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -0.033 12.736 6.138 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -2.519 13.834 7.438 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -0.849 13.997 7.944 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -2.138 15.994 6.616 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -0.416 15.731 6.425 1.00 0.00 H new ATOM 124 N SER A 12 -3.965 13.685 4.373 1.00 0.00 N ATOM 125 CA SER A 12 -5.330 13.267 4.080 1.00 0.00 C ATOM 126 C SER A 12 -5.676 13.527 2.616 1.00 0.00 C ATOM 127 O SER A 12 -6.840 13.456 2.219 1.00 0.00 O ATOM 128 CB SER A 12 -6.318 14.001 4.988 1.00 0.00 C ATOM 129 OG SER A 12 -6.079 13.698 6.352 1.00 0.00 O ATOM 0 H SER A 12 -3.854 14.689 4.518 1.00 0.00 H new ATOM 0 HA SER A 12 -5.403 12.196 4.268 1.00 0.00 H new ATOM 0 HB2 SER A 12 -6.232 15.076 4.831 1.00 0.00 H new ATOM 0 HB3 SER A 12 -7.338 13.721 4.723 1.00 0.00 H new ATOM 0 HG SER A 12 -6.722 14.181 6.912 1.00 0.00 H new ATOM 135 N LYS A 13 -4.658 13.828 1.820 1.00 0.00 N ATOM 136 CA LYS A 13 -4.851 14.099 0.399 1.00 0.00 C ATOM 137 C LYS A 13 -4.133 13.059 -0.455 1.00 0.00 C ATOM 138 O LYS A 13 -4.286 13.033 -1.677 1.00 0.00 O ATOM 139 CB LYS A 13 -4.342 15.500 0.052 1.00 0.00 C ATOM 140 CG LYS A 13 -4.882 16.587 0.966 1.00 0.00 C ATOM 141 CD LYS A 13 -6.184 17.166 0.434 1.00 0.00 C ATOM 142 CE LYS A 13 -7.388 16.403 0.960 1.00 0.00 C ATOM 143 NZ LYS A 13 -8.671 17.011 0.509 1.00 0.00 N ATOM 0 H LYS A 13 -3.689 13.891 2.133 1.00 0.00 H new ATOM 0 HA LYS A 13 -5.919 14.044 0.186 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -3.253 15.504 0.100 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -4.616 15.733 -0.977 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -5.045 16.178 1.963 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -4.142 17.382 1.065 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -6.262 18.214 0.722 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -6.179 17.134 -0.656 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -7.338 15.368 0.622 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -7.358 16.384 2.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -9.468 16.461 0.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -8.731 17.991 0.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -8.711 17.006 -0.530 1.00 0.00 H new ATOM 157 N VAL A 14 -3.351 12.204 0.194 1.00 0.00 N ATOM 158 CA VAL A 14 -2.612 11.160 -0.505 1.00 0.00 C ATOM 159 C VAL A 14 -3.468 9.915 -0.700 1.00 0.00 C ATOM 160 O VAL A 14 -4.038 9.385 0.254 1.00 0.00 O ATOM 161 CB VAL A 14 -1.329 10.774 0.256 1.00 0.00 C ATOM 162 CG1 VAL A 14 -1.605 10.665 1.747 1.00 0.00 C ATOM 163 CG2 VAL A 14 -0.760 9.471 -0.286 1.00 0.00 C ATOM 0 H VAL A 14 -3.212 12.214 1.204 1.00 0.00 H new ATOM 0 HA VAL A 14 -2.340 11.565 -1.480 1.00 0.00 H new ATOM 0 HB VAL A 14 -0.588 11.559 0.105 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -0.687 10.392 2.268 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -1.963 11.624 2.122 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -2.363 9.901 1.922 1.00 0.00 H new ATOM 0 HG21 VAL A 14 0.146 9.213 0.263 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -1.495 8.675 -0.167 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -0.522 9.590 -1.343 1.00 0.00 H new ATOM 173 N LYS A 15 -3.557 9.452 -1.942 1.00 0.00 N ATOM 174 CA LYS A 15 -4.343 8.267 -2.264 1.00 0.00 C ATOM 175 C LYS A 15 -3.473 7.197 -2.914 1.00 0.00 C ATOM 176 O LYS A 15 -2.303 7.434 -3.217 1.00 0.00 O ATOM 177 CB LYS A 15 -5.500 8.634 -3.196 1.00 0.00 C ATOM 178 CG LYS A 15 -6.464 9.644 -2.599 1.00 0.00 C ATOM 179 CD LYS A 15 -7.234 10.387 -3.679 1.00 0.00 C ATOM 180 CE LYS A 15 -8.610 10.811 -3.191 1.00 0.00 C ATOM 181 NZ LYS A 15 -9.250 11.786 -4.116 1.00 0.00 N ATOM 0 H LYS A 15 -3.094 9.880 -2.743 1.00 0.00 H new ATOM 0 HA LYS A 15 -4.747 7.867 -1.334 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -5.094 9.036 -4.124 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -6.049 7.728 -3.454 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -7.164 9.133 -1.938 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -5.912 10.358 -1.988 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -6.670 11.267 -3.990 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -7.339 9.749 -4.557 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -9.247 9.932 -3.092 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -8.523 11.255 -2.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -10.186 12.050 -3.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -8.655 12.636 -4.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -9.357 11.354 -5.056 1.00 0.00 H new ATOM 195 N ILE A 16 -4.051 6.018 -3.126 1.00 0.00 N ATOM 196 CA ILE A 16 -3.329 4.914 -3.743 1.00 0.00 C ATOM 197 C ILE A 16 -4.267 4.031 -4.558 1.00 0.00 C ATOM 198 O ILE A 16 -5.351 3.672 -4.102 1.00 0.00 O ATOM 199 CB ILE A 16 -2.615 4.048 -2.687 1.00 0.00 C ATOM 200 CG1 ILE A 16 -3.640 3.373 -1.773 1.00 0.00 C ATOM 201 CG2 ILE A 16 -1.648 4.895 -1.873 1.00 0.00 C ATOM 202 CD1 ILE A 16 -3.017 2.472 -0.730 1.00 0.00 C ATOM 0 H ILE A 16 -5.017 5.804 -2.879 1.00 0.00 H new ATOM 0 HA ILE A 16 -2.583 5.355 -4.404 1.00 0.00 H new ATOM 0 HB ILE A 16 -2.045 3.272 -3.199 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -4.230 4.141 -1.273 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -4.329 2.788 -2.382 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -1.152 4.269 -1.131 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -0.902 5.334 -2.536 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -2.197 5.690 -1.368 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -3.802 2.027 -0.118 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -2.450 1.682 -1.223 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -2.350 3.056 -0.096 1.00 0.00 H new ATOM 214 N ALA A 17 -3.840 3.680 -5.768 1.00 0.00 N ATOM 215 CA ALA A 17 -4.639 2.836 -6.645 1.00 0.00 C ATOM 216 C ALA A 17 -3.765 1.826 -7.382 1.00 0.00 C ATOM 217 O ALA A 17 -2.584 2.073 -7.624 1.00 0.00 O ATOM 218 CB ALA A 17 -5.413 3.690 -7.639 1.00 0.00 C ATOM 0 H ALA A 17 -2.944 3.968 -6.162 1.00 0.00 H new ATOM 0 HA ALA A 17 -5.347 2.283 -6.028 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -6.006 3.046 -8.288 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -6.074 4.368 -7.099 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -4.714 4.269 -8.243 1.00 0.00 H new ATOM 224 N GLY A 18 -4.353 0.687 -7.735 1.00 0.00 N ATOM 225 CA GLY A 18 -3.612 -0.343 -8.440 1.00 0.00 C ATOM 226 C GLY A 18 -4.108 -1.738 -8.117 1.00 0.00 C ATOM 227 O GLY A 18 -5.001 -1.926 -7.290 1.00 0.00 O ATOM 0 H GLY A 18 -5.329 0.459 -7.545 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -3.691 -0.172 -9.514 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -2.556 -0.267 -8.182 1.00 0.00 H new ATOM 231 N PRO A 19 -3.525 -2.746 -8.780 1.00 0.00 N ATOM 232 CA PRO A 19 -3.898 -4.149 -8.576 1.00 0.00 C ATOM 233 C PRO A 19 -3.469 -4.671 -7.209 1.00 0.00 C ATOM 234 O PRO A 19 -4.193 -5.433 -6.570 1.00 0.00 O ATOM 235 CB PRO A 19 -3.144 -4.882 -9.689 1.00 0.00 C ATOM 236 CG PRO A 19 -1.980 -4.005 -9.999 1.00 0.00 C ATOM 237 CD PRO A 19 -2.454 -2.595 -9.780 1.00 0.00 C ATOM 0 HA PRO A 19 -4.978 -4.292 -8.608 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -2.819 -5.870 -9.363 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -3.775 -5.027 -10.566 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -1.134 -4.237 -9.353 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -1.645 -4.149 -11.026 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -1.652 -1.953 -9.416 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -2.825 -2.148 -10.702 1.00 0.00 H new ATOM 245 N GLY A 20 -2.287 -4.254 -6.767 1.00 0.00 N ATOM 246 CA GLY A 20 -1.783 -4.689 -5.477 1.00 0.00 C ATOM 247 C GLY A 20 -2.781 -4.467 -4.358 1.00 0.00 C ATOM 248 O GLY A 20 -2.735 -5.143 -3.331 1.00 0.00 O ATOM 0 H GLY A 20 -1.670 -3.623 -7.278 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -1.529 -5.748 -5.528 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -0.862 -4.151 -5.250 1.00 0.00 H new ATOM 252 N LEU A 21 -3.687 -3.514 -4.556 1.00 0.00 N ATOM 253 CA LEU A 21 -4.701 -3.203 -3.556 1.00 0.00 C ATOM 254 C LEU A 21 -6.067 -3.731 -3.982 1.00 0.00 C ATOM 255 O LEU A 21 -6.972 -3.873 -3.162 1.00 0.00 O ATOM 256 CB LEU A 21 -4.773 -1.692 -3.328 1.00 0.00 C ATOM 257 CG LEU A 21 -3.437 -0.983 -3.101 1.00 0.00 C ATOM 258 CD1 LEU A 21 -3.530 0.476 -3.519 1.00 0.00 C ATOM 259 CD2 LEU A 21 -3.014 -1.097 -1.644 1.00 0.00 C ATOM 0 H LEU A 21 -3.739 -2.944 -5.400 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.419 -3.692 -2.624 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -5.261 -1.237 -4.190 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -5.412 -1.505 -2.465 1.00 0.00 H new ATOM 0 HG LEU A 21 -2.680 -1.468 -3.717 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -2.570 0.965 -3.350 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -3.787 0.536 -4.577 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -4.300 0.975 -2.930 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -2.061 -0.587 -1.501 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -3.771 -0.637 -1.008 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -2.906 -2.148 -1.378 1.00 0.00 H new ATOM 271 N GLY A 22 -6.208 -4.020 -5.272 1.00 0.00 N ATOM 272 CA GLY A 22 -7.466 -4.530 -5.785 1.00 0.00 C ATOM 273 C GLY A 22 -7.863 -5.845 -5.144 1.00 0.00 C ATOM 274 O GLY A 22 -7.131 -6.384 -4.313 1.00 0.00 O ATOM 0 H GLY A 22 -5.473 -3.910 -5.971 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -8.251 -3.794 -5.612 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -7.387 -4.664 -6.864 1.00 0.00 H new ATOM 278 N SER A 23 -9.027 -6.360 -5.526 1.00 0.00 N ATOM 279 CA SER A 23 -9.523 -7.618 -4.978 1.00 0.00 C ATOM 280 C SER A 23 -9.097 -8.795 -5.849 1.00 0.00 C ATOM 281 O SER A 23 -9.629 -9.898 -5.724 1.00 0.00 O ATOM 282 CB SER A 23 -11.048 -7.581 -4.860 1.00 0.00 C ATOM 283 OG SER A 23 -11.655 -7.474 -6.137 1.00 0.00 O ATOM 0 H SER A 23 -9.644 -5.926 -6.212 1.00 0.00 H new ATOM 0 HA SER A 23 -9.092 -7.749 -3.985 1.00 0.00 H new ATOM 0 HB2 SER A 23 -11.400 -8.484 -4.361 1.00 0.00 H new ATOM 0 HB3 SER A 23 -11.348 -6.737 -4.239 1.00 0.00 H new ATOM 0 HG SER A 23 -12.630 -7.454 -6.035 1.00 0.00 H new ATOM 289 N GLY A 24 -8.132 -8.552 -6.732 1.00 0.00 N ATOM 290 CA GLY A 24 -7.651 -9.601 -7.611 1.00 0.00 C ATOM 291 C GLY A 24 -6.196 -9.947 -7.359 1.00 0.00 C ATOM 292 O GLY A 24 -5.422 -10.128 -8.297 1.00 0.00 O ATOM 0 H GLY A 24 -7.676 -7.648 -6.854 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -8.262 -10.493 -7.475 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -7.772 -9.286 -8.648 1.00 0.00 H new ATOM 296 N VAL A 25 -5.824 -10.039 -6.085 1.00 0.00 N ATOM 297 CA VAL A 25 -4.453 -10.365 -5.712 1.00 0.00 C ATOM 298 C VAL A 25 -4.303 -11.854 -5.421 1.00 0.00 C ATOM 299 O VAL A 25 -5.184 -12.473 -4.826 1.00 0.00 O ATOM 300 CB VAL A 25 -4.003 -9.562 -4.476 1.00 0.00 C ATOM 301 CG1 VAL A 25 -2.641 -10.040 -3.997 1.00 0.00 C ATOM 302 CG2 VAL A 25 -3.976 -8.074 -4.787 1.00 0.00 C ATOM 0 H VAL A 25 -6.453 -9.892 -5.295 1.00 0.00 H new ATOM 0 HA VAL A 25 -3.821 -10.098 -6.559 1.00 0.00 H new ATOM 0 HB VAL A 25 -4.723 -9.728 -3.675 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -2.339 -9.462 -3.124 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -2.699 -11.096 -3.731 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -1.908 -9.906 -4.792 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -3.656 -7.523 -3.903 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -3.279 -7.886 -5.604 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -4.974 -7.745 -5.078 1.00 0.00 H new ATOM 312 N ARG A 26 -3.177 -12.422 -5.843 1.00 0.00 N ATOM 313 CA ARG A 26 -2.911 -13.839 -5.628 1.00 0.00 C ATOM 314 C ARG A 26 -1.631 -14.035 -4.822 1.00 0.00 C ATOM 315 O ARG A 26 -0.700 -13.236 -4.911 1.00 0.00 O ATOM 316 CB ARG A 26 -2.797 -14.567 -6.969 1.00 0.00 C ATOM 317 CG ARG A 26 -4.057 -14.484 -7.817 1.00 0.00 C ATOM 318 CD ARG A 26 -3.887 -15.213 -9.140 1.00 0.00 C ATOM 319 NE ARG A 26 -5.170 -15.493 -9.779 1.00 0.00 N ATOM 320 CZ ARG A 26 -5.293 -15.870 -11.046 1.00 0.00 C ATOM 321 NH1 ARG A 26 -4.216 -16.013 -11.807 1.00 0.00 N ATOM 322 NH2 ARG A 26 -6.495 -16.107 -11.556 1.00 0.00 N ATOM 0 H ARG A 26 -2.436 -11.923 -6.335 1.00 0.00 H new ATOM 0 HA ARG A 26 -3.744 -14.258 -5.064 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -1.963 -14.147 -7.531 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -2.562 -15.615 -6.785 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -4.895 -14.914 -7.268 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -4.302 -13.439 -8.005 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -3.272 -14.611 -9.809 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -3.354 -16.149 -8.972 1.00 0.00 H new ATOM 0 HE ARG A 26 -6.018 -15.393 -9.221 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -3.290 -15.833 -11.419 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -4.314 -16.303 -12.780 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -7.326 -16.000 -10.974 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -6.588 -16.397 -12.530 1.00 0.00 H new ATOM 336 N ALA A 27 -1.592 -15.104 -4.033 1.00 0.00 N ATOM 337 CA ALA A 27 -0.427 -15.406 -3.211 1.00 0.00 C ATOM 338 C ALA A 27 0.785 -15.733 -4.076 1.00 0.00 C ATOM 339 O ALA A 27 0.646 -16.248 -5.186 1.00 0.00 O ATOM 340 CB ALA A 27 -0.731 -16.560 -2.267 1.00 0.00 C ATOM 0 H ALA A 27 -2.355 -15.776 -3.946 1.00 0.00 H new ATOM 0 HA ALA A 27 -0.191 -14.521 -2.620 1.00 0.00 H new ATOM 0 HB1 ALA A 27 0.148 -16.774 -1.659 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -1.564 -16.289 -1.618 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -0.996 -17.444 -2.847 1.00 0.00 H new ATOM 346 N ARG A 28 1.972 -15.430 -3.562 1.00 0.00 N ATOM 347 CA ARG A 28 3.209 -15.690 -4.289 1.00 0.00 C ATOM 348 C ARG A 28 3.168 -15.056 -5.676 1.00 0.00 C ATOM 349 O ARG A 28 3.608 -15.653 -6.657 1.00 0.00 O ATOM 350 CB ARG A 28 3.445 -17.197 -4.413 1.00 0.00 C ATOM 351 CG ARG A 28 3.575 -17.905 -3.074 1.00 0.00 C ATOM 352 CD ARG A 28 4.291 -19.239 -3.217 1.00 0.00 C ATOM 353 NE ARG A 28 3.984 -20.146 -2.115 1.00 0.00 N ATOM 354 CZ ARG A 28 4.604 -20.112 -0.941 1.00 0.00 C ATOM 355 NH1 ARG A 28 5.561 -19.221 -0.718 1.00 0.00 N ATOM 356 NH2 ARG A 28 4.268 -20.971 0.014 1.00 0.00 N ATOM 0 H ARG A 28 2.104 -15.004 -2.645 1.00 0.00 H new ATOM 0 HA ARG A 28 4.031 -15.244 -3.729 1.00 0.00 H new ATOM 0 HB2 ARG A 28 2.620 -17.641 -4.971 1.00 0.00 H new ATOM 0 HB3 ARG A 28 4.351 -17.368 -4.994 1.00 0.00 H new ATOM 0 HG2 ARG A 28 4.122 -17.270 -2.377 1.00 0.00 H new ATOM 0 HG3 ARG A 28 2.584 -18.066 -2.649 1.00 0.00 H new ATOM 0 HD2 ARG A 28 4.005 -19.705 -4.160 1.00 0.00 H new ATOM 0 HD3 ARG A 28 5.367 -19.070 -3.258 1.00 0.00 H new ATOM 0 HE ARG A 28 3.253 -20.844 -2.254 1.00 0.00 H new ATOM 0 HH11 ARG A 28 5.822 -18.560 -1.449 1.00 0.00 H new ATOM 0 HH12 ARG A 28 6.035 -19.197 0.185 1.00 0.00 H new ATOM 0 HH21 ARG A 28 3.533 -21.658 -0.154 1.00 0.00 H new ATOM 0 HH22 ARG A 28 4.745 -20.944 0.915 1.00 0.00 H new ATOM 370 N VAL A 29 2.636 -13.839 -5.748 1.00 0.00 N ATOM 371 CA VAL A 29 2.538 -13.123 -7.015 1.00 0.00 C ATOM 372 C VAL A 29 3.027 -11.686 -6.872 1.00 0.00 C ATOM 373 O VAL A 29 2.815 -11.045 -5.841 1.00 0.00 O ATOM 374 CB VAL A 29 1.091 -13.110 -7.542 1.00 0.00 C ATOM 375 CG1 VAL A 29 0.949 -12.125 -8.692 1.00 0.00 C ATOM 376 CG2 VAL A 29 0.669 -14.507 -7.972 1.00 0.00 C ATOM 0 H VAL A 29 2.267 -13.329 -4.945 1.00 0.00 H new ATOM 0 HA VAL A 29 3.172 -13.651 -7.727 1.00 0.00 H new ATOM 0 HB VAL A 29 0.433 -12.787 -6.736 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -0.080 -12.130 -9.051 1.00 0.00 H new ATOM 0 HG12 VAL A 29 1.208 -11.124 -8.348 1.00 0.00 H new ATOM 0 HG13 VAL A 29 1.617 -12.414 -9.503 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -0.356 -14.480 -8.342 1.00 0.00 H new ATOM 0 HG22 VAL A 29 1.331 -14.860 -8.763 1.00 0.00 H new ATOM 0 HG23 VAL A 29 0.729 -15.184 -7.120 1.00 0.00 H new ATOM 386 N LEU A 30 3.683 -11.184 -7.912 1.00 0.00 N ATOM 387 CA LEU A 30 4.203 -9.821 -7.904 1.00 0.00 C ATOM 388 C LEU A 30 3.066 -8.804 -7.886 1.00 0.00 C ATOM 389 O LEU A 30 2.304 -8.696 -8.846 1.00 0.00 O ATOM 390 CB LEU A 30 5.093 -9.586 -9.125 1.00 0.00 C ATOM 391 CG LEU A 30 5.802 -8.233 -9.190 1.00 0.00 C ATOM 392 CD1 LEU A 30 7.057 -8.246 -8.332 1.00 0.00 C ATOM 393 CD2 LEU A 30 6.141 -7.877 -10.630 1.00 0.00 C ATOM 0 H LEU A 30 3.868 -11.700 -8.772 1.00 0.00 H new ATOM 0 HA LEU A 30 4.797 -9.691 -6.999 1.00 0.00 H new ATOM 0 HB2 LEU A 30 5.849 -10.371 -9.155 1.00 0.00 H new ATOM 0 HB3 LEU A 30 4.482 -9.697 -10.021 1.00 0.00 H new ATOM 0 HG LEU A 30 5.127 -7.472 -8.798 1.00 0.00 H new ATOM 0 HD11 LEU A 30 7.548 -7.275 -8.391 1.00 0.00 H new ATOM 0 HD12 LEU A 30 6.788 -8.454 -7.297 1.00 0.00 H new ATOM 0 HD13 LEU A 30 7.736 -9.018 -8.693 1.00 0.00 H new ATOM 0 HD21 LEU A 30 6.645 -6.911 -10.657 1.00 0.00 H new ATOM 0 HD22 LEU A 30 6.797 -8.640 -11.049 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.224 -7.824 -11.217 1.00 0.00 H new ATOM 405 N GLN A 31 2.961 -8.061 -6.790 1.00 0.00 N ATOM 406 CA GLN A 31 1.917 -7.052 -6.648 1.00 0.00 C ATOM 407 C GLN A 31 2.522 -5.657 -6.535 1.00 0.00 C ATOM 408 O GLN A 31 3.484 -5.444 -5.797 1.00 0.00 O ATOM 409 CB GLN A 31 1.055 -7.349 -5.422 1.00 0.00 C ATOM 410 CG GLN A 31 0.504 -8.766 -5.392 1.00 0.00 C ATOM 411 CD GLN A 31 -0.516 -9.018 -6.486 1.00 0.00 C ATOM 412 OE1 GLN A 31 -0.998 -8.084 -7.129 1.00 0.00 O ATOM 413 NE2 GLN A 31 -0.851 -10.284 -6.702 1.00 0.00 N ATOM 0 H GLN A 31 3.585 -8.138 -5.987 1.00 0.00 H new ATOM 0 HA GLN A 31 1.290 -7.085 -7.539 1.00 0.00 H new ATOM 0 HB2 GLN A 31 1.647 -7.180 -4.523 1.00 0.00 H new ATOM 0 HB3 GLN A 31 0.224 -6.645 -5.394 1.00 0.00 H new ATOM 0 HG2 GLN A 31 1.326 -9.474 -5.497 1.00 0.00 H new ATOM 0 HG3 GLN A 31 0.044 -8.953 -4.422 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -0.427 -11.026 -6.145 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -1.533 -10.515 -7.425 1.00 0.00 H new ATOM 422 N SER A 32 1.951 -4.708 -7.271 1.00 0.00 N ATOM 423 CA SER A 32 2.436 -3.333 -7.255 1.00 0.00 C ATOM 424 C SER A 32 1.287 -2.349 -7.447 1.00 0.00 C ATOM 425 O SER A 32 0.301 -2.651 -8.122 1.00 0.00 O ATOM 426 CB SER A 32 3.487 -3.129 -8.349 1.00 0.00 C ATOM 427 OG SER A 32 3.840 -1.761 -8.467 1.00 0.00 O ATOM 0 H SER A 32 1.152 -4.866 -7.885 1.00 0.00 H new ATOM 0 HA SER A 32 2.892 -3.145 -6.283 1.00 0.00 H new ATOM 0 HB2 SER A 32 4.375 -3.719 -8.120 1.00 0.00 H new ATOM 0 HB3 SER A 32 3.101 -3.492 -9.301 1.00 0.00 H new ATOM 0 HG SER A 32 4.514 -1.657 -9.171 1.00 0.00 H new ATOM 433 N PHE A 33 1.420 -1.168 -6.851 1.00 0.00 N ATOM 434 CA PHE A 33 0.392 -0.139 -6.956 1.00 0.00 C ATOM 435 C PHE A 33 1.021 1.247 -7.054 1.00 0.00 C ATOM 436 O PHE A 33 2.234 1.405 -6.913 1.00 0.00 O ATOM 437 CB PHE A 33 -0.547 -0.202 -5.749 1.00 0.00 C ATOM 438 CG PHE A 33 0.173 -0.250 -4.431 1.00 0.00 C ATOM 439 CD1 PHE A 33 0.899 -1.371 -4.063 1.00 0.00 C ATOM 440 CD2 PHE A 33 0.123 0.826 -3.560 1.00 0.00 C ATOM 441 CE1 PHE A 33 1.561 -1.419 -2.852 1.00 0.00 C ATOM 442 CE2 PHE A 33 0.784 0.785 -2.347 1.00 0.00 C ATOM 443 CZ PHE A 33 1.504 -0.340 -1.992 1.00 0.00 C ATOM 0 H PHE A 33 2.229 -0.900 -6.291 1.00 0.00 H new ATOM 0 HA PHE A 33 -0.182 -0.324 -7.864 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -1.204 0.668 -5.764 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -1.183 -1.083 -5.839 1.00 0.00 H new ATOM 0 HD1 PHE A 33 0.948 -2.218 -4.731 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -0.439 1.707 -3.832 1.00 0.00 H new ATOM 0 HE1 PHE A 33 2.123 -2.300 -2.578 1.00 0.00 H new ATOM 0 HE2 PHE A 33 0.738 1.631 -1.677 1.00 0.00 H new ATOM 0 HZ PHE A 33 2.021 -0.375 -1.044 1.00 0.00 H new ATOM 453 N THR A 34 0.186 2.253 -7.296 1.00 0.00 N ATOM 454 CA THR A 34 0.657 3.627 -7.415 1.00 0.00 C ATOM 455 C THR A 34 0.150 4.485 -6.262 1.00 0.00 C ATOM 456 O THR A 34 -1.032 4.444 -5.919 1.00 0.00 O ATOM 457 CB THR A 34 0.212 4.261 -8.746 1.00 0.00 C ATOM 458 OG1 THR A 34 0.677 3.470 -9.846 1.00 0.00 O ATOM 459 CG2 THR A 34 0.744 5.681 -8.875 1.00 0.00 C ATOM 0 H THR A 34 -0.821 2.141 -7.413 1.00 0.00 H new ATOM 0 HA THR A 34 1.746 3.590 -7.385 1.00 0.00 H new ATOM 0 HB THR A 34 -0.877 4.296 -8.759 1.00 0.00 H new ATOM 0 HG1 THR A 34 0.388 3.879 -10.688 1.00 0.00 H new ATOM 0 HG21 THR A 34 0.416 6.108 -9.823 1.00 0.00 H new ATOM 0 HG22 THR A 34 0.364 6.288 -8.053 1.00 0.00 H new ATOM 0 HG23 THR A 34 1.833 5.666 -8.841 1.00 0.00 H new ATOM 467 N VAL A 35 1.049 5.262 -5.668 1.00 0.00 N ATOM 468 CA VAL A 35 0.691 6.131 -4.554 1.00 0.00 C ATOM 469 C VAL A 35 0.803 7.601 -4.945 1.00 0.00 C ATOM 470 O VAL A 35 1.904 8.135 -5.082 1.00 0.00 O ATOM 471 CB VAL A 35 1.585 5.869 -3.327 1.00 0.00 C ATOM 472 CG1 VAL A 35 1.123 6.703 -2.141 1.00 0.00 C ATOM 473 CG2 VAL A 35 1.589 4.388 -2.978 1.00 0.00 C ATOM 0 H VAL A 35 2.031 5.308 -5.940 1.00 0.00 H new ATOM 0 HA VAL A 35 -0.343 5.904 -4.296 1.00 0.00 H new ATOM 0 HB VAL A 35 2.605 6.164 -3.573 1.00 0.00 H new ATOM 0 HG11 VAL A 35 1.766 6.504 -1.284 1.00 0.00 H new ATOM 0 HG12 VAL A 35 1.176 7.761 -2.397 1.00 0.00 H new ATOM 0 HG13 VAL A 35 0.095 6.442 -1.891 1.00 0.00 H new ATOM 0 HG21 VAL A 35 2.225 4.221 -2.109 1.00 0.00 H new ATOM 0 HG22 VAL A 35 0.573 4.065 -2.751 1.00 0.00 H new ATOM 0 HG23 VAL A 35 1.972 3.816 -3.823 1.00 0.00 H new ATOM 483 N ASP A 36 -0.344 8.249 -5.123 1.00 0.00 N ATOM 484 CA ASP A 36 -0.375 9.658 -5.498 1.00 0.00 C ATOM 485 C ASP A 36 -0.356 10.550 -4.260 1.00 0.00 C ATOM 486 O ASP A 36 -1.386 10.761 -3.620 1.00 0.00 O ATOM 487 CB ASP A 36 -1.616 9.957 -6.339 1.00 0.00 C ATOM 488 CG ASP A 36 -1.580 11.341 -6.955 1.00 0.00 C ATOM 489 OD1 ASP A 36 -0.468 11.881 -7.134 1.00 0.00 O ATOM 490 OD2 ASP A 36 -2.662 11.884 -7.257 1.00 0.00 O ATOM 0 H ASP A 36 -1.263 7.821 -5.014 1.00 0.00 H new ATOM 0 HA ASP A 36 0.515 9.871 -6.091 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -1.702 9.213 -7.131 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -2.505 9.864 -5.715 1.00 0.00 H new ATOM 495 N SER A 37 0.821 11.069 -3.928 1.00 0.00 N ATOM 496 CA SER A 37 0.975 11.933 -2.764 1.00 0.00 C ATOM 497 C SER A 37 1.323 13.357 -3.187 1.00 0.00 C ATOM 498 O SER A 37 1.944 14.106 -2.433 1.00 0.00 O ATOM 499 CB SER A 37 2.060 11.386 -1.834 1.00 0.00 C ATOM 500 OG SER A 37 3.333 11.431 -2.455 1.00 0.00 O ATOM 0 H SER A 37 1.683 10.906 -4.449 1.00 0.00 H new ATOM 0 HA SER A 37 0.025 11.952 -2.230 1.00 0.00 H new ATOM 0 HB2 SER A 37 2.081 11.967 -0.912 1.00 0.00 H new ATOM 0 HB3 SER A 37 1.823 10.359 -1.558 1.00 0.00 H new ATOM 0 HG SER A 37 3.926 12.021 -1.944 1.00 0.00 H new ATOM 506 N SER A 38 0.918 13.724 -4.399 1.00 0.00 N ATOM 507 CA SER A 38 1.190 15.056 -4.926 1.00 0.00 C ATOM 508 C SER A 38 0.321 16.101 -4.234 1.00 0.00 C ATOM 509 O SER A 38 0.768 17.215 -3.958 1.00 0.00 O ATOM 510 CB SER A 38 0.943 15.090 -6.436 1.00 0.00 C ATOM 511 OG SER A 38 -0.414 14.822 -6.737 1.00 0.00 O ATOM 0 H SER A 38 0.400 13.117 -5.034 1.00 0.00 H new ATOM 0 HA SER A 38 2.236 15.291 -4.731 1.00 0.00 H new ATOM 0 HB2 SER A 38 1.220 16.067 -6.831 1.00 0.00 H new ATOM 0 HB3 SER A 38 1.580 14.355 -6.928 1.00 0.00 H new ATOM 0 HG SER A 38 -0.529 13.863 -6.904 1.00 0.00 H new ATOM 517 N LYS A 39 -0.926 15.735 -3.954 1.00 0.00 N ATOM 518 CA LYS A 39 -1.859 16.638 -3.292 1.00 0.00 C ATOM 519 C LYS A 39 -1.556 16.738 -1.801 1.00 0.00 C ATOM 520 O LYS A 39 -2.006 17.664 -1.127 1.00 0.00 O ATOM 521 CB LYS A 39 -3.298 16.160 -3.500 1.00 0.00 C ATOM 522 CG LYS A 39 -3.759 16.228 -4.946 1.00 0.00 C ATOM 523 CD LYS A 39 -4.116 17.649 -5.351 1.00 0.00 C ATOM 524 CE LYS A 39 -4.994 17.670 -6.593 1.00 0.00 C ATOM 525 NZ LYS A 39 -4.250 17.233 -7.806 1.00 0.00 N ATOM 0 H LYS A 39 -1.313 14.818 -4.176 1.00 0.00 H new ATOM 0 HA LYS A 39 -1.743 17.627 -3.735 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -3.385 15.132 -3.148 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -3.965 16.765 -2.886 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -2.972 15.850 -5.598 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -4.625 15.581 -5.084 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -4.634 18.143 -4.529 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -3.204 18.215 -5.539 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -5.854 17.018 -6.440 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -5.380 18.677 -6.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -4.883 17.261 -8.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -3.444 17.870 -7.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -3.903 16.262 -7.669 1.00 0.00 H new ATOM 539 N ALA A 40 -0.788 15.780 -1.293 1.00 0.00 N ATOM 540 CA ALA A 40 -0.421 15.763 0.118 1.00 0.00 C ATOM 541 C ALA A 40 0.701 16.754 0.406 1.00 0.00 C ATOM 542 O ALA A 40 0.710 17.412 1.445 1.00 0.00 O ATOM 543 CB ALA A 40 -0.010 14.360 0.539 1.00 0.00 C ATOM 0 H ALA A 40 -0.408 15.006 -1.837 1.00 0.00 H new ATOM 0 HA ALA A 40 -1.293 16.064 0.698 1.00 0.00 H new ATOM 0 HB1 ALA A 40 0.261 14.362 1.595 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -0.842 13.674 0.379 1.00 0.00 H new ATOM 0 HB3 ALA A 40 0.845 14.038 -0.055 1.00 0.00 H new ATOM 549 N GLY A 41 1.648 16.855 -0.522 1.00 0.00 N ATOM 550 CA GLY A 41 2.763 17.768 -0.349 1.00 0.00 C ATOM 551 C GLY A 41 4.086 17.153 -0.761 1.00 0.00 C ATOM 552 O GLY A 41 4.166 16.459 -1.775 1.00 0.00 O ATOM 0 H GLY A 41 1.663 16.321 -1.391 1.00 0.00 H new ATOM 0 HA2 GLY A 41 2.586 18.668 -0.937 1.00 0.00 H new ATOM 0 HA3 GLY A 41 2.818 18.075 0.695 1.00 0.00 H new ATOM 556 N LEU A 42 5.125 17.409 0.026 1.00 0.00 N ATOM 557 CA LEU A 42 6.452 16.876 -0.264 1.00 0.00 C ATOM 558 C LEU A 42 6.929 15.961 0.860 1.00 0.00 C ATOM 559 O LEU A 42 8.125 15.715 1.007 1.00 0.00 O ATOM 560 CB LEU A 42 7.449 18.019 -0.464 1.00 0.00 C ATOM 561 CG LEU A 42 7.519 19.054 0.660 1.00 0.00 C ATOM 562 CD1 LEU A 42 6.455 20.123 0.467 1.00 0.00 C ATOM 563 CD2 LEU A 42 7.360 18.381 2.015 1.00 0.00 C ATOM 0 H LEU A 42 5.075 17.981 0.869 1.00 0.00 H new ATOM 0 HA LEU A 42 6.389 16.291 -1.182 1.00 0.00 H new ATOM 0 HB2 LEU A 42 8.442 17.589 -0.597 1.00 0.00 H new ATOM 0 HB3 LEU A 42 7.198 18.535 -1.391 1.00 0.00 H new ATOM 0 HG LEU A 42 8.498 19.533 0.627 1.00 0.00 H new ATOM 0 HD11 LEU A 42 6.520 20.851 1.276 1.00 0.00 H new ATOM 0 HD12 LEU A 42 6.613 20.626 -0.487 1.00 0.00 H new ATOM 0 HD13 LEU A 42 5.468 19.660 0.474 1.00 0.00 H new ATOM 0 HD21 LEU A 42 7.412 19.132 2.803 1.00 0.00 H new ATOM 0 HD22 LEU A 42 6.395 17.876 2.059 1.00 0.00 H new ATOM 0 HD23 LEU A 42 8.158 17.652 2.155 1.00 0.00 H new ATOM 575 N ALA A 43 5.983 15.460 1.649 1.00 0.00 N ATOM 576 CA ALA A 43 6.306 14.569 2.757 1.00 0.00 C ATOM 577 C ALA A 43 6.565 13.149 2.262 1.00 0.00 C ATOM 578 O ALA A 43 6.031 12.715 1.242 1.00 0.00 O ATOM 579 CB ALA A 43 5.185 14.576 3.784 1.00 0.00 C ATOM 0 H ALA A 43 4.988 15.656 1.541 1.00 0.00 H new ATOM 0 HA ALA A 43 7.218 14.933 3.230 1.00 0.00 H new ATOM 0 HB1 ALA A 43 5.440 13.906 4.605 1.00 0.00 H new ATOM 0 HB2 ALA A 43 5.050 15.587 4.168 1.00 0.00 H new ATOM 0 HB3 ALA A 43 4.260 14.240 3.315 1.00 0.00 H new ATOM 585 N PRO A 44 7.404 12.408 3.001 1.00 0.00 N ATOM 586 CA PRO A 44 7.753 11.026 2.656 1.00 0.00 C ATOM 587 C PRO A 44 6.582 10.069 2.847 1.00 0.00 C ATOM 588 O PRO A 44 5.579 10.414 3.474 1.00 0.00 O ATOM 589 CB PRO A 44 8.884 10.692 3.632 1.00 0.00 C ATOM 590 CG PRO A 44 8.660 11.595 4.794 1.00 0.00 C ATOM 591 CD PRO A 44 8.077 12.862 4.229 1.00 0.00 C ATOM 0 HA PRO A 44 8.034 10.925 1.608 1.00 0.00 H new ATOM 0 HB2 PRO A 44 8.851 9.645 3.932 1.00 0.00 H new ATOM 0 HB3 PRO A 44 9.861 10.864 3.180 1.00 0.00 H new ATOM 0 HG2 PRO A 44 7.981 11.141 5.516 1.00 0.00 H new ATOM 0 HG3 PRO A 44 9.594 11.795 5.318 1.00 0.00 H new ATOM 0 HD2 PRO A 44 7.377 13.327 4.923 1.00 0.00 H new ATOM 0 HD3 PRO A 44 8.850 13.600 4.015 1.00 0.00 H new ATOM 599 N LEU A 45 6.714 8.863 2.305 1.00 0.00 N ATOM 600 CA LEU A 45 5.667 7.855 2.417 1.00 0.00 C ATOM 601 C LEU A 45 6.220 6.559 3.000 1.00 0.00 C ATOM 602 O LEU A 45 7.292 6.099 2.609 1.00 0.00 O ATOM 603 CB LEU A 45 5.044 7.585 1.046 1.00 0.00 C ATOM 604 CG LEU A 45 4.046 6.428 0.979 1.00 0.00 C ATOM 605 CD1 LEU A 45 2.636 6.921 1.261 1.00 0.00 C ATOM 606 CD2 LEU A 45 4.112 5.745 -0.380 1.00 0.00 C ATOM 0 H LEU A 45 7.537 8.560 1.783 1.00 0.00 H new ATOM 0 HA LEU A 45 4.899 8.237 3.090 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.541 8.493 0.713 1.00 0.00 H new ATOM 0 HB3 LEU A 45 5.847 7.387 0.336 1.00 0.00 H new ATOM 0 HG LEU A 45 4.313 5.699 1.744 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.940 6.083 1.209 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.597 7.363 2.257 1.00 0.00 H new ATOM 0 HD13 LEU A 45 2.358 7.670 0.520 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.395 4.924 -0.410 1.00 0.00 H new ATOM 0 HD22 LEU A 45 3.871 6.466 -1.161 1.00 0.00 H new ATOM 0 HD23 LEU A 45 5.117 5.355 -0.543 1.00 0.00 H new ATOM 618 N GLU A 46 5.479 5.973 3.936 1.00 0.00 N ATOM 619 CA GLU A 46 5.896 4.730 4.573 1.00 0.00 C ATOM 620 C GLU A 46 4.918 3.602 4.255 1.00 0.00 C ATOM 621 O GLU A 46 3.707 3.815 4.189 1.00 0.00 O ATOM 622 CB GLU A 46 6.001 4.916 6.088 1.00 0.00 C ATOM 623 CG GLU A 46 7.318 5.527 6.536 1.00 0.00 C ATOM 624 CD GLU A 46 7.579 5.331 8.016 1.00 0.00 C ATOM 625 OE1 GLU A 46 7.679 4.165 8.452 1.00 0.00 O ATOM 626 OE2 GLU A 46 7.684 6.343 8.741 1.00 0.00 O ATOM 0 H GLU A 46 4.587 6.339 4.269 1.00 0.00 H new ATOM 0 HA GLU A 46 6.876 4.461 4.179 1.00 0.00 H new ATOM 0 HB2 GLU A 46 5.182 5.551 6.425 1.00 0.00 H new ATOM 0 HB3 GLU A 46 5.875 3.949 6.574 1.00 0.00 H new ATOM 0 HG2 GLU A 46 8.133 5.082 5.965 1.00 0.00 H new ATOM 0 HG3 GLU A 46 7.315 6.593 6.310 1.00 0.00 H new ATOM 633 N VAL A 47 5.453 2.400 4.058 1.00 0.00 N ATOM 634 CA VAL A 47 4.628 1.239 3.747 1.00 0.00 C ATOM 635 C VAL A 47 4.972 0.063 4.655 1.00 0.00 C ATOM 636 O VAL A 47 6.137 -0.159 4.987 1.00 0.00 O ATOM 637 CB VAL A 47 4.798 0.807 2.279 1.00 0.00 C ATOM 638 CG1 VAL A 47 3.927 -0.402 1.974 1.00 0.00 C ATOM 639 CG2 VAL A 47 4.470 1.961 1.344 1.00 0.00 C ATOM 0 H VAL A 47 6.453 2.206 4.108 1.00 0.00 H new ATOM 0 HA VAL A 47 3.591 1.532 3.913 1.00 0.00 H new ATOM 0 HB VAL A 47 5.838 0.524 2.119 1.00 0.00 H new ATOM 0 HG11 VAL A 47 4.060 -0.693 0.932 1.00 0.00 H new ATOM 0 HG12 VAL A 47 4.214 -1.230 2.622 1.00 0.00 H new ATOM 0 HG13 VAL A 47 2.881 -0.150 2.149 1.00 0.00 H new ATOM 0 HG21 VAL A 47 4.595 1.639 0.310 1.00 0.00 H new ATOM 0 HG22 VAL A 47 3.439 2.277 1.503 1.00 0.00 H new ATOM 0 HG23 VAL A 47 5.140 2.796 1.547 1.00 0.00 H new ATOM 649 N ARG A 48 3.951 -0.688 5.053 1.00 0.00 N ATOM 650 CA ARG A 48 4.144 -1.843 5.923 1.00 0.00 C ATOM 651 C ARG A 48 3.113 -2.926 5.625 1.00 0.00 C ATOM 652 O ARG A 48 1.952 -2.632 5.340 1.00 0.00 O ATOM 653 CB ARG A 48 4.051 -1.423 7.391 1.00 0.00 C ATOM 654 CG ARG A 48 3.967 -2.594 8.356 1.00 0.00 C ATOM 655 CD ARG A 48 4.556 -2.242 9.713 1.00 0.00 C ATOM 656 NE ARG A 48 6.007 -2.404 9.738 1.00 0.00 N ATOM 657 CZ ARG A 48 6.765 -2.075 10.778 1.00 0.00 C ATOM 658 NH1 ARG A 48 6.212 -1.569 11.872 1.00 0.00 N ATOM 659 NH2 ARG A 48 8.079 -2.251 10.725 1.00 0.00 N ATOM 0 H ARG A 48 2.981 -0.518 4.787 1.00 0.00 H new ATOM 0 HA ARG A 48 5.137 -2.250 5.731 1.00 0.00 H new ATOM 0 HB2 ARG A 48 4.922 -0.818 7.643 1.00 0.00 H new ATOM 0 HB3 ARG A 48 3.174 -0.790 7.524 1.00 0.00 H new ATOM 0 HG2 ARG A 48 2.926 -2.893 8.477 1.00 0.00 H new ATOM 0 HG3 ARG A 48 4.498 -3.449 7.939 1.00 0.00 H new ATOM 0 HD2 ARG A 48 4.302 -1.212 9.962 1.00 0.00 H new ATOM 0 HD3 ARG A 48 4.107 -2.875 10.478 1.00 0.00 H new ATOM 0 HE ARG A 48 6.463 -2.791 8.912 1.00 0.00 H new ATOM 0 HH11 ARG A 48 5.202 -1.432 11.916 1.00 0.00 H new ATOM 0 HH12 ARG A 48 6.796 -1.317 12.669 1.00 0.00 H new ATOM 0 HH21 ARG A 48 8.508 -2.639 9.885 1.00 0.00 H new ATOM 0 HH22 ARG A 48 8.660 -1.998 11.524 1.00 0.00 H new ATOM 673 N VAL A 49 3.544 -4.182 5.695 1.00 0.00 N ATOM 674 CA VAL A 49 2.659 -5.310 5.435 1.00 0.00 C ATOM 675 C VAL A 49 2.582 -6.239 6.642 1.00 0.00 C ATOM 676 O VAL A 49 3.603 -6.594 7.232 1.00 0.00 O ATOM 677 CB VAL A 49 3.124 -6.118 4.209 1.00 0.00 C ATOM 678 CG1 VAL A 49 2.154 -7.252 3.917 1.00 0.00 C ATOM 679 CG2 VAL A 49 3.274 -5.209 2.998 1.00 0.00 C ATOM 0 H VAL A 49 4.502 -4.443 5.930 1.00 0.00 H new ATOM 0 HA VAL A 49 1.671 -4.896 5.235 1.00 0.00 H new ATOM 0 HB VAL A 49 4.098 -6.554 4.431 1.00 0.00 H new ATOM 0 HG11 VAL A 49 2.499 -7.811 3.048 1.00 0.00 H new ATOM 0 HG12 VAL A 49 2.102 -7.917 4.779 1.00 0.00 H new ATOM 0 HG13 VAL A 49 1.165 -6.842 3.715 1.00 0.00 H new ATOM 0 HG21 VAL A 49 3.603 -5.796 2.141 1.00 0.00 H new ATOM 0 HG22 VAL A 49 2.315 -4.743 2.772 1.00 0.00 H new ATOM 0 HG23 VAL A 49 4.011 -4.436 3.213 1.00 0.00 H new ATOM 689 N LEU A 50 1.365 -6.629 7.003 1.00 0.00 N ATOM 690 CA LEU A 50 1.154 -7.519 8.141 1.00 0.00 C ATOM 691 C LEU A 50 0.360 -8.754 7.727 1.00 0.00 C ATOM 692 O LEU A 50 -0.659 -8.649 7.044 1.00 0.00 O ATOM 693 CB LEU A 50 0.421 -6.779 9.263 1.00 0.00 C ATOM 694 CG LEU A 50 1.302 -6.011 10.248 1.00 0.00 C ATOM 695 CD1 LEU A 50 2.250 -6.959 10.967 1.00 0.00 C ATOM 696 CD2 LEU A 50 2.082 -4.920 9.527 1.00 0.00 C ATOM 0 H LEU A 50 0.510 -6.344 6.526 1.00 0.00 H new ATOM 0 HA LEU A 50 2.130 -7.842 8.504 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -0.280 -6.078 8.811 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -0.170 -7.504 9.824 1.00 0.00 H new ATOM 0 HG LEU A 50 0.658 -5.540 10.991 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.869 -6.395 11.664 1.00 0.00 H new ATOM 0 HD12 LEU A 50 1.673 -7.704 11.515 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.888 -7.458 10.238 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.704 -4.383 10.243 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.715 -5.370 8.762 1.00 0.00 H new ATOM 0 HD23 LEU A 50 1.386 -4.224 9.058 1.00 0.00 H new ATOM 708 N GLY A 51 0.832 -9.923 8.147 1.00 0.00 N ATOM 709 CA GLY A 51 0.153 -11.161 7.813 1.00 0.00 C ATOM 710 C GLY A 51 -1.043 -11.426 8.706 1.00 0.00 C ATOM 711 O GLY A 51 -1.259 -10.745 9.708 1.00 0.00 O ATOM 0 H GLY A 51 1.673 -10.035 8.713 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -0.175 -11.123 6.774 1.00 0.00 H new ATOM 0 HA3 GLY A 51 0.855 -11.991 7.896 1.00 0.00 H new ATOM 715 N PRO A 52 -1.845 -12.438 8.342 1.00 0.00 N ATOM 716 CA PRO A 52 -3.039 -12.814 9.104 1.00 0.00 C ATOM 717 C PRO A 52 -2.694 -13.442 10.450 1.00 0.00 C ATOM 718 O PRO A 52 -3.323 -13.143 11.465 1.00 0.00 O ATOM 719 CB PRO A 52 -3.731 -13.837 8.199 1.00 0.00 C ATOM 720 CG PRO A 52 -2.635 -14.409 7.367 1.00 0.00 C ATOM 721 CD PRO A 52 -1.648 -13.292 7.159 1.00 0.00 C ATOM 0 HA PRO A 52 -3.658 -11.949 9.344 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -4.229 -14.610 8.784 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -4.494 -13.365 7.579 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -2.166 -15.256 7.868 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -3.018 -14.774 6.414 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -0.626 -13.665 7.099 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -1.844 -12.749 6.234 1.00 0.00 H new ATOM 729 N ARG A 53 -1.691 -14.314 10.451 1.00 0.00 N ATOM 730 CA ARG A 53 -1.263 -14.985 11.673 1.00 0.00 C ATOM 731 C ARG A 53 -0.323 -14.096 12.481 1.00 0.00 C ATOM 732 O ARG A 53 -0.338 -14.115 13.711 1.00 0.00 O ATOM 733 CB ARG A 53 -0.569 -16.307 11.338 1.00 0.00 C ATOM 734 CG ARG A 53 -1.309 -17.138 10.302 1.00 0.00 C ATOM 735 CD ARG A 53 -0.662 -17.021 8.930 1.00 0.00 C ATOM 736 NE ARG A 53 -1.490 -17.614 7.883 1.00 0.00 N ATOM 737 CZ ARG A 53 -1.636 -18.925 7.716 1.00 0.00 C ATOM 738 NH1 ARG A 53 -1.013 -19.773 8.524 1.00 0.00 N ATOM 739 NH2 ARG A 53 -2.406 -19.388 6.740 1.00 0.00 N ATOM 0 H ARG A 53 -1.160 -14.572 9.620 1.00 0.00 H new ATOM 0 HA ARG A 53 -2.149 -15.189 12.275 1.00 0.00 H new ATOM 0 HB2 ARG A 53 0.436 -16.097 10.973 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -0.461 -16.892 12.251 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -1.321 -18.183 10.612 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -2.347 -16.811 10.245 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -0.485 -15.970 8.701 1.00 0.00 H new ATOM 0 HD3 ARG A 53 0.311 -17.512 8.945 1.00 0.00 H new ATOM 0 HE ARG A 53 -1.983 -16.989 7.246 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -0.420 -19.420 9.275 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -1.127 -20.778 8.394 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -2.886 -18.738 6.117 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -2.518 -20.394 6.612 1.00 0.00 H new ATOM 753 N GLY A 54 0.496 -13.317 11.779 1.00 0.00 N ATOM 754 CA GLY A 54 1.431 -12.431 12.447 1.00 0.00 C ATOM 755 C GLY A 54 2.788 -12.406 11.771 1.00 0.00 C ATOM 756 O GLY A 54 3.815 -12.227 12.429 1.00 0.00 O ATOM 0 H GLY A 54 0.528 -13.284 10.760 1.00 0.00 H new ATOM 0 HA2 GLY A 54 1.020 -11.422 12.467 1.00 0.00 H new ATOM 0 HA3 GLY A 54 1.550 -12.748 13.483 1.00 0.00 H new ATOM 760 N LEU A 55 2.795 -12.586 10.456 1.00 0.00 N ATOM 761 CA LEU A 55 4.037 -12.584 9.690 1.00 0.00 C ATOM 762 C LEU A 55 4.358 -11.184 9.175 1.00 0.00 C ATOM 763 O LEU A 55 3.457 -10.411 8.846 1.00 0.00 O ATOM 764 CB LEU A 55 3.937 -13.560 8.516 1.00 0.00 C ATOM 765 CG LEU A 55 5.099 -13.536 7.522 1.00 0.00 C ATOM 766 CD1 LEU A 55 6.232 -14.428 8.002 1.00 0.00 C ATOM 767 CD2 LEU A 55 4.627 -13.967 6.141 1.00 0.00 C ATOM 0 H LEU A 55 1.955 -12.735 9.897 1.00 0.00 H new ATOM 0 HA LEU A 55 4.843 -12.902 10.352 1.00 0.00 H new ATOM 0 HB2 LEU A 55 3.848 -14.570 8.916 1.00 0.00 H new ATOM 0 HB3 LEU A 55 3.016 -13.350 7.972 1.00 0.00 H new ATOM 0 HG LEU A 55 5.473 -12.514 7.455 1.00 0.00 H new ATOM 0 HD11 LEU A 55 7.049 -14.398 7.281 1.00 0.00 H new ATOM 0 HD12 LEU A 55 6.588 -14.075 8.970 1.00 0.00 H new ATOM 0 HD13 LEU A 55 5.872 -15.452 8.100 1.00 0.00 H new ATOM 0 HD21 LEU A 55 5.466 -13.944 5.446 1.00 0.00 H new ATOM 0 HD22 LEU A 55 4.226 -14.979 6.193 1.00 0.00 H new ATOM 0 HD23 LEU A 55 3.850 -13.287 5.793 1.00 0.00 H new ATOM 779 N VAL A 56 5.645 -10.865 9.106 1.00 0.00 N ATOM 780 CA VAL A 56 6.086 -9.560 8.628 1.00 0.00 C ATOM 781 C VAL A 56 6.765 -9.673 7.269 1.00 0.00 C ATOM 782 O VAL A 56 7.707 -10.445 7.097 1.00 0.00 O ATOM 783 CB VAL A 56 7.057 -8.896 9.622 1.00 0.00 C ATOM 784 CG1 VAL A 56 7.549 -7.563 9.078 1.00 0.00 C ATOM 785 CG2 VAL A 56 6.391 -8.715 10.978 1.00 0.00 C ATOM 0 H VAL A 56 6.402 -11.493 9.375 1.00 0.00 H new ATOM 0 HA VAL A 56 5.194 -8.940 8.534 1.00 0.00 H new ATOM 0 HB VAL A 56 7.920 -9.549 9.751 1.00 0.00 H new ATOM 0 HG11 VAL A 56 8.234 -7.108 9.794 1.00 0.00 H new ATOM 0 HG12 VAL A 56 8.067 -7.725 8.133 1.00 0.00 H new ATOM 0 HG13 VAL A 56 6.699 -6.900 8.917 1.00 0.00 H new ATOM 0 HG21 VAL A 56 7.092 -8.244 11.668 1.00 0.00 H new ATOM 0 HG22 VAL A 56 5.510 -8.083 10.869 1.00 0.00 H new ATOM 0 HG23 VAL A 56 6.094 -9.688 11.370 1.00 0.00 H new ATOM 795 N GLU A 57 6.280 -8.897 6.304 1.00 0.00 N ATOM 796 CA GLU A 57 6.842 -8.910 4.958 1.00 0.00 C ATOM 797 C GLU A 57 7.393 -7.537 4.584 1.00 0.00 C ATOM 798 O GLU A 57 6.823 -6.499 4.921 1.00 0.00 O ATOM 799 CB GLU A 57 5.780 -9.340 3.943 1.00 0.00 C ATOM 800 CG GLU A 57 5.105 -10.656 4.289 1.00 0.00 C ATOM 801 CD GLU A 57 4.045 -10.504 5.363 1.00 0.00 C ATOM 802 OE1 GLU A 57 2.911 -10.105 5.023 1.00 0.00 O ATOM 803 OE2 GLU A 57 4.349 -10.783 6.541 1.00 0.00 O ATOM 0 H GLU A 57 5.500 -8.252 6.429 1.00 0.00 H new ATOM 0 HA GLU A 57 7.663 -9.627 4.941 1.00 0.00 H new ATOM 0 HB2 GLU A 57 5.022 -8.560 3.871 1.00 0.00 H new ATOM 0 HB3 GLU A 57 6.243 -9.426 2.960 1.00 0.00 H new ATOM 0 HG2 GLU A 57 4.650 -11.073 3.391 1.00 0.00 H new ATOM 0 HG3 GLU A 57 5.858 -11.369 4.625 1.00 0.00 H new ATOM 810 N PRO A 58 8.529 -7.530 3.872 1.00 0.00 N ATOM 811 CA PRO A 58 9.183 -6.292 3.438 1.00 0.00 C ATOM 812 C PRO A 58 8.388 -5.564 2.358 1.00 0.00 C ATOM 813 O PRO A 58 7.407 -6.093 1.834 1.00 0.00 O ATOM 814 CB PRO A 58 10.523 -6.776 2.878 1.00 0.00 C ATOM 815 CG PRO A 58 10.274 -8.185 2.465 1.00 0.00 C ATOM 816 CD PRO A 58 9.263 -8.729 3.436 1.00 0.00 C ATOM 0 HA PRO A 58 9.279 -5.575 4.253 1.00 0.00 H new ATOM 0 HB2 PRO A 58 10.842 -6.166 2.033 1.00 0.00 H new ATOM 0 HB3 PRO A 58 11.311 -6.717 3.629 1.00 0.00 H new ATOM 0 HG2 PRO A 58 9.898 -8.231 1.443 1.00 0.00 H new ATOM 0 HG3 PRO A 58 11.194 -8.768 2.492 1.00 0.00 H new ATOM 0 HD2 PRO A 58 8.602 -9.455 2.963 1.00 0.00 H new ATOM 0 HD3 PRO A 58 9.743 -9.234 4.275 1.00 0.00 H new ATOM 824 N VAL A 59 8.816 -4.349 2.032 1.00 0.00 N ATOM 825 CA VAL A 59 8.144 -3.549 1.016 1.00 0.00 C ATOM 826 C VAL A 59 9.149 -2.765 0.181 1.00 0.00 C ATOM 827 O VAL A 59 10.316 -2.640 0.551 1.00 0.00 O ATOM 828 CB VAL A 59 7.140 -2.566 1.647 1.00 0.00 C ATOM 829 CG1 VAL A 59 5.979 -3.321 2.277 1.00 0.00 C ATOM 830 CG2 VAL A 59 7.833 -1.683 2.674 1.00 0.00 C ATOM 0 H VAL A 59 9.626 -3.897 2.457 1.00 0.00 H new ATOM 0 HA VAL A 59 7.604 -4.244 0.373 1.00 0.00 H new ATOM 0 HB VAL A 59 6.742 -1.925 0.861 1.00 0.00 H new ATOM 0 HG11 VAL A 59 5.280 -2.611 2.718 1.00 0.00 H new ATOM 0 HG12 VAL A 59 5.468 -3.906 1.513 1.00 0.00 H new ATOM 0 HG13 VAL A 59 6.356 -3.988 3.052 1.00 0.00 H new ATOM 0 HG21 VAL A 59 7.109 -0.995 3.110 1.00 0.00 H new ATOM 0 HG22 VAL A 59 8.260 -2.306 3.460 1.00 0.00 H new ATOM 0 HG23 VAL A 59 8.627 -1.115 2.189 1.00 0.00 H new ATOM 840 N ASN A 60 8.688 -2.236 -0.949 1.00 0.00 N ATOM 841 CA ASN A 60 9.548 -1.463 -1.837 1.00 0.00 C ATOM 842 C ASN A 60 8.963 -0.076 -2.089 1.00 0.00 C ATOM 843 O ASN A 60 7.748 0.088 -2.194 1.00 0.00 O ATOM 844 CB ASN A 60 9.736 -2.198 -3.166 1.00 0.00 C ATOM 845 CG ASN A 60 10.757 -1.521 -4.061 1.00 0.00 C ATOM 846 OD1 ASN A 60 11.955 -1.537 -3.777 1.00 0.00 O ATOM 847 ND2 ASN A 60 10.286 -0.924 -5.149 1.00 0.00 N ATOM 0 H ASN A 60 7.724 -2.329 -1.270 1.00 0.00 H new ATOM 0 HA ASN A 60 10.518 -1.347 -1.353 1.00 0.00 H new ATOM 0 HB2 ASN A 60 10.051 -3.223 -2.970 1.00 0.00 H new ATOM 0 HB3 ASN A 60 8.780 -2.253 -3.686 1.00 0.00 H new ATOM 0 HD21 ASN A 60 10.925 -0.453 -5.790 1.00 0.00 H new ATOM 0 HD22 ASN A 60 9.285 -0.936 -5.344 1.00 0.00 H new ATOM 854 N VAL A 61 9.838 0.921 -2.185 1.00 0.00 N ATOM 855 CA VAL A 61 9.410 2.293 -2.425 1.00 0.00 C ATOM 856 C VAL A 61 10.249 2.947 -3.517 1.00 0.00 C ATOM 857 O VAL A 61 11.463 3.093 -3.378 1.00 0.00 O ATOM 858 CB VAL A 61 9.502 3.143 -1.143 1.00 0.00 C ATOM 859 CG1 VAL A 61 10.922 3.131 -0.596 1.00 0.00 C ATOM 860 CG2 VAL A 61 9.038 4.566 -1.414 1.00 0.00 C ATOM 0 H VAL A 61 10.848 0.803 -2.100 1.00 0.00 H new ATOM 0 HA VAL A 61 8.370 2.248 -2.748 1.00 0.00 H new ATOM 0 HB VAL A 61 8.844 2.708 -0.390 1.00 0.00 H new ATOM 0 HG11 VAL A 61 10.968 3.736 0.309 1.00 0.00 H new ATOM 0 HG12 VAL A 61 11.214 2.107 -0.363 1.00 0.00 H new ATOM 0 HG13 VAL A 61 11.603 3.541 -1.342 1.00 0.00 H new ATOM 0 HG21 VAL A 61 9.109 5.153 -0.498 1.00 0.00 H new ATOM 0 HG22 VAL A 61 9.668 5.014 -2.182 1.00 0.00 H new ATOM 0 HG23 VAL A 61 8.003 4.552 -1.756 1.00 0.00 H new ATOM 870 N VAL A 62 9.593 3.341 -4.604 1.00 0.00 N ATOM 871 CA VAL A 62 10.277 3.982 -5.720 1.00 0.00 C ATOM 872 C VAL A 62 9.507 5.202 -6.211 1.00 0.00 C ATOM 873 O VAL A 62 8.345 5.098 -6.604 1.00 0.00 O ATOM 874 CB VAL A 62 10.472 3.004 -6.895 1.00 0.00 C ATOM 875 CG1 VAL A 62 11.192 3.690 -8.046 1.00 0.00 C ATOM 876 CG2 VAL A 62 11.232 1.768 -6.439 1.00 0.00 C ATOM 0 H VAL A 62 8.588 3.227 -4.735 1.00 0.00 H new ATOM 0 HA VAL A 62 11.254 4.297 -5.353 1.00 0.00 H new ATOM 0 HB VAL A 62 9.491 2.688 -7.249 1.00 0.00 H new ATOM 0 HG11 VAL A 62 11.321 2.984 -8.867 1.00 0.00 H new ATOM 0 HG12 VAL A 62 10.603 4.541 -8.388 1.00 0.00 H new ATOM 0 HG13 VAL A 62 12.169 4.037 -7.709 1.00 0.00 H new ATOM 0 HG21 VAL A 62 11.361 1.088 -7.282 1.00 0.00 H new ATOM 0 HG22 VAL A 62 12.210 2.062 -6.058 1.00 0.00 H new ATOM 0 HG23 VAL A 62 10.671 1.266 -5.651 1.00 0.00 H new ATOM 886 N ASP A 63 10.161 6.358 -6.184 1.00 0.00 N ATOM 887 CA ASP A 63 9.537 7.600 -6.627 1.00 0.00 C ATOM 888 C ASP A 63 9.451 7.650 -8.150 1.00 0.00 C ATOM 889 O ASP A 63 10.399 7.291 -8.847 1.00 0.00 O ATOM 890 CB ASP A 63 10.324 8.804 -6.108 1.00 0.00 C ATOM 891 CG ASP A 63 9.514 10.085 -6.148 1.00 0.00 C ATOM 892 OD1 ASP A 63 8.763 10.281 -7.127 1.00 0.00 O ATOM 893 OD2 ASP A 63 9.632 10.893 -5.203 1.00 0.00 O ATOM 0 H ASP A 63 11.123 6.461 -5.860 1.00 0.00 H new ATOM 0 HA ASP A 63 8.526 7.636 -6.222 1.00 0.00 H new ATOM 0 HB2 ASP A 63 10.644 8.611 -5.084 1.00 0.00 H new ATOM 0 HB3 ASP A 63 11.227 8.929 -6.706 1.00 0.00 H new ATOM 898 N ASN A 64 8.309 8.100 -8.658 1.00 0.00 N ATOM 899 CA ASN A 64 8.098 8.197 -10.098 1.00 0.00 C ATOM 900 C ASN A 64 8.743 9.461 -10.659 1.00 0.00 C ATOM 901 O ASN A 64 9.346 9.439 -11.730 1.00 0.00 O ATOM 902 CB ASN A 64 6.602 8.190 -10.417 1.00 0.00 C ATOM 903 CG ASN A 64 5.952 6.853 -10.118 1.00 0.00 C ATOM 904 OD1 ASN A 64 5.590 6.108 -11.029 1.00 0.00 O ATOM 905 ND2 ASN A 64 5.801 6.542 -8.836 1.00 0.00 N ATOM 0 H ASN A 64 7.515 8.403 -8.094 1.00 0.00 H new ATOM 0 HA ASN A 64 8.567 7.332 -10.567 1.00 0.00 H new ATOM 0 HB2 ASN A 64 6.106 8.969 -9.838 1.00 0.00 H new ATOM 0 HB3 ASN A 64 6.457 8.434 -11.469 1.00 0.00 H new ATOM 0 HD21 ASN A 64 5.370 5.655 -8.574 1.00 0.00 H new ATOM 0 HD22 ASN A 64 6.116 7.190 -8.114 1.00 0.00 H new ATOM 912 N GLY A 65 8.611 10.562 -9.924 1.00 0.00 N ATOM 913 CA GLY A 65 9.187 11.818 -10.364 1.00 0.00 C ATOM 914 C GLY A 65 8.132 12.850 -10.709 1.00 0.00 C ATOM 915 O GLY A 65 8.361 14.052 -10.573 1.00 0.00 O ATOM 0 H GLY A 65 8.116 10.605 -9.033 1.00 0.00 H new ATOM 0 HA2 GLY A 65 9.834 12.212 -9.580 1.00 0.00 H new ATOM 0 HA3 GLY A 65 9.816 11.640 -11.236 1.00 0.00 H new ATOM 919 N ASP A 66 6.974 12.381 -11.159 1.00 0.00 N ATOM 920 CA ASP A 66 5.878 13.272 -11.526 1.00 0.00 C ATOM 921 C ASP A 66 5.079 13.687 -10.294 1.00 0.00 C ATOM 922 O ASP A 66 4.780 14.865 -10.105 1.00 0.00 O ATOM 923 CB ASP A 66 4.958 12.592 -12.541 1.00 0.00 C ATOM 924 CG ASP A 66 4.556 11.194 -12.113 1.00 0.00 C ATOM 925 OD1 ASP A 66 5.439 10.314 -12.059 1.00 0.00 O ATOM 926 OD2 ASP A 66 3.358 10.980 -11.832 1.00 0.00 O ATOM 0 H ASP A 66 6.769 11.389 -11.279 1.00 0.00 H new ATOM 0 HA ASP A 66 6.306 14.167 -11.978 1.00 0.00 H new ATOM 0 HB2 ASP A 66 4.063 13.198 -12.679 1.00 0.00 H new ATOM 0 HB3 ASP A 66 5.461 12.543 -13.507 1.00 0.00 H new ATOM 931 N GLY A 67 4.737 12.710 -9.460 1.00 0.00 N ATOM 932 CA GLY A 67 3.975 12.994 -8.258 1.00 0.00 C ATOM 933 C GLY A 67 3.367 11.746 -7.649 1.00 0.00 C ATOM 934 O GLY A 67 2.308 11.803 -7.023 1.00 0.00 O ATOM 0 H GLY A 67 4.974 11.727 -9.595 1.00 0.00 H new ATOM 0 HA2 GLY A 67 4.624 13.473 -7.525 1.00 0.00 H new ATOM 0 HA3 GLY A 67 3.182 13.703 -8.494 1.00 0.00 H new ATOM 938 N THR A 68 4.039 10.612 -7.831 1.00 0.00 N ATOM 939 CA THR A 68 3.556 9.345 -7.297 1.00 0.00 C ATOM 940 C THR A 68 4.715 8.468 -6.835 1.00 0.00 C ATOM 941 O THR A 68 5.881 8.835 -6.981 1.00 0.00 O ATOM 942 CB THR A 68 2.729 8.574 -8.341 1.00 0.00 C ATOM 943 OG1 THR A 68 3.557 8.206 -9.450 1.00 0.00 O ATOM 944 CG2 THR A 68 1.560 9.414 -8.833 1.00 0.00 C ATOM 0 H THR A 68 4.918 10.546 -8.344 1.00 0.00 H new ATOM 0 HA THR A 68 2.919 9.582 -6.445 1.00 0.00 H new ATOM 0 HB THR A 68 2.337 7.674 -7.867 1.00 0.00 H new ATOM 0 HG1 THR A 68 3.023 7.714 -10.108 1.00 0.00 H new ATOM 0 HG21 THR A 68 0.990 8.848 -9.570 1.00 0.00 H new ATOM 0 HG22 THR A 68 0.915 9.667 -7.992 1.00 0.00 H new ATOM 0 HG23 THR A 68 1.936 10.329 -9.290 1.00 0.00 H new ATOM 952 N HIS A 69 4.386 7.307 -6.278 1.00 0.00 N ATOM 953 CA HIS A 69 5.400 6.376 -5.795 1.00 0.00 C ATOM 954 C HIS A 69 4.948 4.932 -5.989 1.00 0.00 C ATOM 955 O HIS A 69 3.854 4.551 -5.573 1.00 0.00 O ATOM 956 CB HIS A 69 5.698 6.635 -4.318 1.00 0.00 C ATOM 957 CG HIS A 69 6.028 8.063 -4.015 1.00 0.00 C ATOM 958 ND1 HIS A 69 7.243 8.463 -3.500 1.00 0.00 N ATOM 959 CD2 HIS A 69 5.293 9.191 -4.158 1.00 0.00 C ATOM 960 CE1 HIS A 69 7.241 9.774 -3.339 1.00 0.00 C ATOM 961 NE2 HIS A 69 6.069 10.240 -3.731 1.00 0.00 N ATOM 0 H HIS A 69 3.426 6.988 -6.150 1.00 0.00 H new ATOM 0 HA HIS A 69 6.309 6.535 -6.375 1.00 0.00 H new ATOM 0 HB2 HIS A 69 4.834 6.336 -3.724 1.00 0.00 H new ATOM 0 HB3 HIS A 69 6.531 6.005 -4.008 1.00 0.00 H new ATOM 0 HD2 HIS A 69 4.284 9.254 -4.537 1.00 0.00 H new ATOM 0 HE1 HIS A 69 8.059 10.364 -2.953 1.00 0.00 H new ATOM 0 HE2 HIS A 69 5.786 11.220 -3.719 1.00 0.00 H new ATOM 970 N THR A 70 5.797 4.131 -6.627 1.00 0.00 N ATOM 971 CA THR A 70 5.485 2.731 -6.878 1.00 0.00 C ATOM 972 C THR A 70 5.928 1.851 -5.715 1.00 0.00 C ATOM 973 O THR A 70 7.005 2.045 -5.151 1.00 0.00 O ATOM 974 CB THR A 70 6.155 2.229 -8.171 1.00 0.00 C ATOM 975 OG1 THR A 70 5.687 2.986 -9.292 1.00 0.00 O ATOM 976 CG2 THR A 70 5.866 0.752 -8.394 1.00 0.00 C ATOM 0 H THR A 70 6.707 4.430 -6.979 1.00 0.00 H new ATOM 0 HA THR A 70 4.403 2.664 -6.989 1.00 0.00 H new ATOM 0 HB THR A 70 7.232 2.360 -8.069 1.00 0.00 H new ATOM 0 HG1 THR A 70 6.119 2.661 -10.109 1.00 0.00 H new ATOM 0 HG21 THR A 70 6.350 0.421 -9.313 1.00 0.00 H new ATOM 0 HG22 THR A 70 6.251 0.175 -7.553 1.00 0.00 H new ATOM 0 HG23 THR A 70 4.790 0.600 -8.476 1.00 0.00 H new ATOM 984 N VAL A 71 5.091 0.881 -5.360 1.00 0.00 N ATOM 985 CA VAL A 71 5.397 -0.031 -4.264 1.00 0.00 C ATOM 986 C VAL A 71 5.212 -1.483 -4.689 1.00 0.00 C ATOM 987 O VAL A 71 4.089 -1.942 -4.898 1.00 0.00 O ATOM 988 CB VAL A 71 4.512 0.251 -3.036 1.00 0.00 C ATOM 989 CG1 VAL A 71 4.843 -0.712 -1.906 1.00 0.00 C ATOM 990 CG2 VAL A 71 4.673 1.694 -2.582 1.00 0.00 C ATOM 0 H VAL A 71 4.195 0.707 -5.816 1.00 0.00 H new ATOM 0 HA VAL A 71 6.440 0.135 -3.996 1.00 0.00 H new ATOM 0 HB VAL A 71 3.471 0.098 -3.319 1.00 0.00 H new ATOM 0 HG11 VAL A 71 4.207 -0.497 -1.047 1.00 0.00 H new ATOM 0 HG12 VAL A 71 4.670 -1.736 -2.238 1.00 0.00 H new ATOM 0 HG13 VAL A 71 5.889 -0.594 -1.622 1.00 0.00 H new ATOM 0 HG21 VAL A 71 4.040 1.875 -1.713 1.00 0.00 H new ATOM 0 HG22 VAL A 71 5.714 1.878 -2.317 1.00 0.00 H new ATOM 0 HG23 VAL A 71 4.380 2.364 -3.390 1.00 0.00 H new ATOM 1000 N THR A 72 6.323 -2.203 -4.815 1.00 0.00 N ATOM 1001 CA THR A 72 6.284 -3.604 -5.216 1.00 0.00 C ATOM 1002 C THR A 72 6.363 -4.525 -4.004 1.00 0.00 C ATOM 1003 O THR A 72 7.111 -4.264 -3.062 1.00 0.00 O ATOM 1004 CB THR A 72 7.435 -3.944 -6.181 1.00 0.00 C ATOM 1005 OG1 THR A 72 8.692 -3.602 -5.586 1.00 0.00 O ATOM 1006 CG2 THR A 72 7.274 -3.201 -7.499 1.00 0.00 C ATOM 0 H THR A 72 7.260 -1.839 -4.645 1.00 0.00 H new ATOM 0 HA THR A 72 5.334 -3.761 -5.726 1.00 0.00 H new ATOM 0 HB THR A 72 7.407 -5.015 -6.380 1.00 0.00 H new ATOM 0 HG1 THR A 72 9.418 -3.823 -6.206 1.00 0.00 H new ATOM 0 HG21 THR A 72 8.099 -3.457 -8.164 1.00 0.00 H new ATOM 0 HG22 THR A 72 6.330 -3.486 -7.964 1.00 0.00 H new ATOM 0 HG23 THR A 72 7.277 -2.127 -7.314 1.00 0.00 H new ATOM 1014 N TYR A 73 5.588 -5.603 -4.035 1.00 0.00 N ATOM 1015 CA TYR A 73 5.570 -6.563 -2.937 1.00 0.00 C ATOM 1016 C TYR A 73 5.021 -7.909 -3.399 1.00 0.00 C ATOM 1017 O TYR A 73 4.504 -8.035 -4.510 1.00 0.00 O ATOM 1018 CB TYR A 73 4.728 -6.027 -1.778 1.00 0.00 C ATOM 1019 CG TYR A 73 3.250 -6.308 -1.922 1.00 0.00 C ATOM 1020 CD1 TYR A 73 2.692 -7.476 -1.420 1.00 0.00 C ATOM 1021 CD2 TYR A 73 2.410 -5.403 -2.561 1.00 0.00 C ATOM 1022 CE1 TYR A 73 1.342 -7.738 -1.550 1.00 0.00 C ATOM 1023 CE2 TYR A 73 1.059 -5.655 -2.695 1.00 0.00 C ATOM 1024 CZ TYR A 73 0.530 -6.824 -2.188 1.00 0.00 C ATOM 1025 OH TYR A 73 -0.817 -7.080 -2.319 1.00 0.00 O ATOM 0 H TYR A 73 4.964 -5.834 -4.808 1.00 0.00 H new ATOM 0 HA TYR A 73 6.595 -6.707 -2.597 1.00 0.00 H new ATOM 0 HB2 TYR A 73 5.084 -6.468 -0.847 1.00 0.00 H new ATOM 0 HB3 TYR A 73 4.878 -4.950 -1.698 1.00 0.00 H new ATOM 0 HD1 TYR A 73 3.325 -8.193 -0.919 1.00 0.00 H new ATOM 0 HD2 TYR A 73 2.821 -4.487 -2.959 1.00 0.00 H new ATOM 0 HE1 TYR A 73 0.925 -8.653 -1.155 1.00 0.00 H new ATOM 0 HE2 TYR A 73 0.420 -4.941 -3.194 1.00 0.00 H new ATOM 0 HH TYR A 73 -1.265 -6.292 -2.692 1.00 0.00 H new ATOM 1035 N THR A 74 5.135 -8.915 -2.538 1.00 0.00 N ATOM 1036 CA THR A 74 4.652 -10.252 -2.856 1.00 0.00 C ATOM 1037 C THR A 74 4.120 -10.955 -1.612 1.00 0.00 C ATOM 1038 O THR A 74 4.854 -11.231 -0.663 1.00 0.00 O ATOM 1039 CB THR A 74 5.761 -11.117 -3.485 1.00 0.00 C ATOM 1040 OG1 THR A 74 6.338 -10.435 -4.604 1.00 0.00 O ATOM 1041 CG2 THR A 74 5.210 -12.462 -3.934 1.00 0.00 C ATOM 0 H THR A 74 5.558 -8.829 -1.614 1.00 0.00 H new ATOM 0 HA THR A 74 3.843 -10.131 -3.577 1.00 0.00 H new ATOM 0 HB THR A 74 6.528 -11.290 -2.730 1.00 0.00 H new ATOM 0 HG1 THR A 74 7.043 -10.990 -4.998 1.00 0.00 H new ATOM 0 HG21 THR A 74 6.012 -13.055 -4.375 1.00 0.00 H new ATOM 0 HG22 THR A 74 4.797 -12.991 -3.075 1.00 0.00 H new ATOM 0 HG23 THR A 74 4.426 -12.305 -4.674 1.00 0.00 H new ATOM 1049 N PRO A 75 2.812 -11.254 -1.614 1.00 0.00 N ATOM 1050 CA PRO A 75 2.153 -11.930 -0.493 1.00 0.00 C ATOM 1051 C PRO A 75 2.586 -13.386 -0.358 1.00 0.00 C ATOM 1052 O PRO A 75 2.010 -14.275 -0.985 1.00 0.00 O ATOM 1053 CB PRO A 75 0.667 -11.844 -0.851 1.00 0.00 C ATOM 1054 CG PRO A 75 0.642 -11.727 -2.335 1.00 0.00 C ATOM 1055 CD PRO A 75 1.877 -10.955 -2.711 1.00 0.00 C ATOM 0 HA PRO A 75 2.402 -11.470 0.463 1.00 0.00 H new ATOM 0 HB2 PRO A 75 0.127 -12.729 -0.514 1.00 0.00 H new ATOM 0 HB3 PRO A 75 0.195 -10.983 -0.378 1.00 0.00 H new ATOM 0 HG2 PRO A 75 0.639 -12.711 -2.804 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -0.258 -11.211 -2.671 1.00 0.00 H new ATOM 0 HD2 PRO A 75 2.273 -11.275 -3.675 1.00 0.00 H new ATOM 0 HD3 PRO A 75 1.675 -9.887 -2.788 1.00 0.00 H new ATOM 1063 N SER A 76 3.603 -13.623 0.464 1.00 0.00 N ATOM 1064 CA SER A 76 4.115 -14.972 0.678 1.00 0.00 C ATOM 1065 C SER A 76 2.981 -15.993 0.657 1.00 0.00 C ATOM 1066 O SER A 76 3.044 -16.989 -0.063 1.00 0.00 O ATOM 1067 CB SER A 76 4.863 -15.050 2.010 1.00 0.00 C ATOM 1068 OG SER A 76 6.130 -14.423 1.922 1.00 0.00 O ATOM 0 H SER A 76 4.089 -12.899 0.993 1.00 0.00 H new ATOM 0 HA SER A 76 4.805 -15.206 -0.132 1.00 0.00 H new ATOM 0 HB2 SER A 76 4.271 -14.573 2.791 1.00 0.00 H new ATOM 0 HB3 SER A 76 4.990 -16.093 2.299 1.00 0.00 H new ATOM 0 HG SER A 76 6.587 -14.485 2.787 1.00 0.00 H new ATOM 1074 N GLN A 77 1.947 -15.736 1.451 1.00 0.00 N ATOM 1075 CA GLN A 77 0.800 -16.633 1.524 1.00 0.00 C ATOM 1076 C GLN A 77 -0.507 -15.856 1.401 1.00 0.00 C ATOM 1077 O GLN A 77 -0.532 -14.637 1.569 1.00 0.00 O ATOM 1078 CB GLN A 77 0.820 -17.415 2.838 1.00 0.00 C ATOM 1079 CG GLN A 77 0.932 -16.532 4.071 1.00 0.00 C ATOM 1080 CD GLN A 77 1.633 -17.225 5.223 1.00 0.00 C ATOM 1081 OE1 GLN A 77 2.567 -18.001 5.020 1.00 0.00 O ATOM 1082 NE2 GLN A 77 1.185 -16.946 6.442 1.00 0.00 N ATOM 0 H GLN A 77 1.880 -14.915 2.052 1.00 0.00 H new ATOM 0 HA GLN A 77 0.865 -17.334 0.692 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -0.090 -18.011 2.910 1.00 0.00 H new ATOM 0 HB3 GLN A 77 1.658 -18.112 2.823 1.00 0.00 H new ATOM 0 HG2 GLN A 77 1.475 -15.623 3.814 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -0.066 -16.228 4.388 1.00 0.00 H new ATOM 0 HE21 GLN A 77 0.408 -16.296 6.564 1.00 0.00 H new ATOM 0 HE22 GLN A 77 1.618 -17.381 7.257 1.00 0.00 H new ATOM 1091 N GLU A 78 -1.589 -16.570 1.107 1.00 0.00 N ATOM 1092 CA GLU A 78 -2.899 -15.946 0.960 1.00 0.00 C ATOM 1093 C GLU A 78 -3.506 -15.631 2.325 1.00 0.00 C ATOM 1094 O GLU A 78 -2.992 -16.056 3.359 1.00 0.00 O ATOM 1095 CB GLU A 78 -3.838 -16.859 0.170 1.00 0.00 C ATOM 1096 CG GLU A 78 -4.120 -18.184 0.858 1.00 0.00 C ATOM 1097 CD GLU A 78 -3.023 -19.206 0.627 1.00 0.00 C ATOM 1098 OE1 GLU A 78 -2.806 -19.589 -0.542 1.00 0.00 O ATOM 1099 OE2 GLU A 78 -2.384 -19.624 1.615 1.00 0.00 O ATOM 0 H GLU A 78 -1.584 -17.580 0.966 1.00 0.00 H new ATOM 0 HA GLU A 78 -2.770 -15.012 0.414 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -4.781 -16.339 0.002 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -3.402 -17.054 -0.810 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -4.235 -18.016 1.929 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -5.067 -18.584 0.494 1.00 0.00 H new ATOM 1106 N GLY A 79 -4.606 -14.883 2.318 1.00 0.00 N ATOM 1107 CA GLY A 79 -5.266 -14.523 3.559 1.00 0.00 C ATOM 1108 C GLY A 79 -5.502 -13.030 3.679 1.00 0.00 C ATOM 1109 O GLY A 79 -5.038 -12.240 2.857 1.00 0.00 O ATOM 0 H GLY A 79 -5.051 -14.520 1.475 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -6.221 -15.045 3.624 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -4.660 -14.861 4.400 1.00 0.00 H new ATOM 1113 N PRO A 80 -6.241 -12.626 4.722 1.00 0.00 N ATOM 1114 CA PRO A 80 -6.555 -11.215 4.971 1.00 0.00 C ATOM 1115 C PRO A 80 -5.330 -10.415 5.402 1.00 0.00 C ATOM 1116 O PRO A 80 -5.092 -10.221 6.594 1.00 0.00 O ATOM 1117 CB PRO A 80 -7.582 -11.275 6.105 1.00 0.00 C ATOM 1118 CG PRO A 80 -7.300 -12.561 6.803 1.00 0.00 C ATOM 1119 CD PRO A 80 -6.825 -13.513 5.741 1.00 0.00 C ATOM 0 HA PRO A 80 -6.919 -10.714 4.074 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -7.476 -10.426 6.781 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -8.601 -11.249 5.718 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -6.542 -12.428 7.575 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -8.194 -12.941 7.296 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -6.089 -14.215 6.132 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -7.646 -14.104 5.336 1.00 0.00 H new ATOM 1127 N TYR A 81 -4.558 -9.955 4.425 1.00 0.00 N ATOM 1128 CA TYR A 81 -3.355 -9.177 4.705 1.00 0.00 C ATOM 1129 C TYR A 81 -3.712 -7.746 5.095 1.00 0.00 C ATOM 1130 O TYR A 81 -4.873 -7.342 5.027 1.00 0.00 O ATOM 1131 CB TYR A 81 -2.432 -9.170 3.485 1.00 0.00 C ATOM 1132 CG TYR A 81 -1.434 -10.306 3.475 1.00 0.00 C ATOM 1133 CD1 TYR A 81 -1.822 -11.601 3.796 1.00 0.00 C ATOM 1134 CD2 TYR A 81 -0.103 -10.084 3.146 1.00 0.00 C ATOM 1135 CE1 TYR A 81 -0.913 -12.642 3.789 1.00 0.00 C ATOM 1136 CE2 TYR A 81 0.813 -11.119 3.135 1.00 0.00 C ATOM 1137 CZ TYR A 81 0.403 -12.395 3.457 1.00 0.00 C ATOM 1138 OH TYR A 81 1.312 -13.428 3.449 1.00 0.00 O ATOM 0 H TYR A 81 -4.742 -10.106 3.433 1.00 0.00 H new ATOM 0 HA TYR A 81 -2.836 -9.644 5.542 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -3.038 -9.222 2.581 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -1.893 -8.223 3.453 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -2.852 -11.797 4.055 1.00 0.00 H new ATOM 0 HD2 TYR A 81 0.222 -9.085 2.894 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -1.231 -13.643 4.042 1.00 0.00 H new ATOM 0 HE2 TYR A 81 1.844 -10.929 2.876 1.00 0.00 H new ATOM 0 HH TYR A 81 2.194 -13.086 3.193 1.00 0.00 H new ATOM 1148 N MET A 82 -2.702 -6.982 5.501 1.00 0.00 N ATOM 1149 CA MET A 82 -2.908 -5.595 5.901 1.00 0.00 C ATOM 1150 C MET A 82 -1.715 -4.732 5.499 1.00 0.00 C ATOM 1151 O MET A 82 -0.609 -4.907 6.010 1.00 0.00 O ATOM 1152 CB MET A 82 -3.131 -5.505 7.412 1.00 0.00 C ATOM 1153 CG MET A 82 -3.572 -4.128 7.879 1.00 0.00 C ATOM 1154 SD MET A 82 -4.496 -4.182 9.427 1.00 0.00 S ATOM 1155 CE MET A 82 -3.195 -3.843 10.611 1.00 0.00 C ATOM 0 H MET A 82 -1.735 -7.300 5.561 1.00 0.00 H new ATOM 0 HA MET A 82 -3.794 -5.222 5.388 1.00 0.00 H new ATOM 0 HB2 MET A 82 -3.884 -6.237 7.704 1.00 0.00 H new ATOM 0 HB3 MET A 82 -2.208 -5.775 7.924 1.00 0.00 H new ATOM 0 HG2 MET A 82 -2.695 -3.494 8.006 1.00 0.00 H new ATOM 0 HG3 MET A 82 -4.189 -3.668 7.108 1.00 0.00 H new ATOM 0 HE1 MET A 82 -3.611 -3.843 11.619 1.00 0.00 H new ATOM 0 HE2 MET A 82 -2.426 -4.611 10.536 1.00 0.00 H new ATOM 0 HE3 MET A 82 -2.756 -2.868 10.400 1.00 0.00 H new ATOM 1165 N VAL A 83 -1.948 -3.799 4.581 1.00 0.00 N ATOM 1166 CA VAL A 83 -0.894 -2.909 4.112 1.00 0.00 C ATOM 1167 C VAL A 83 -1.031 -1.521 4.730 1.00 0.00 C ATOM 1168 O VAL A 83 -1.798 -0.688 4.247 1.00 0.00 O ATOM 1169 CB VAL A 83 -0.911 -2.779 2.578 1.00 0.00 C ATOM 1170 CG1 VAL A 83 0.159 -1.803 2.111 1.00 0.00 C ATOM 1171 CG2 VAL A 83 -0.723 -4.140 1.926 1.00 0.00 C ATOM 0 H VAL A 83 -2.858 -3.640 4.148 1.00 0.00 H new ATOM 0 HA VAL A 83 0.054 -3.350 4.422 1.00 0.00 H new ATOM 0 HB VAL A 83 -1.882 -2.387 2.276 1.00 0.00 H new ATOM 0 HG11 VAL A 83 0.131 -1.725 1.024 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -0.026 -0.823 2.550 1.00 0.00 H new ATOM 0 HG13 VAL A 83 1.140 -2.161 2.424 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -0.738 -4.029 0.842 1.00 0.00 H new ATOM 0 HG22 VAL A 83 0.233 -4.562 2.235 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -1.530 -4.805 2.234 1.00 0.00 H new ATOM 1181 N SER A 84 -0.281 -1.280 5.801 1.00 0.00 N ATOM 1182 CA SER A 84 -0.320 0.005 6.487 1.00 0.00 C ATOM 1183 C SER A 84 0.533 1.038 5.758 1.00 0.00 C ATOM 1184 O SER A 84 1.621 0.730 5.272 1.00 0.00 O ATOM 1185 CB SER A 84 0.166 -0.148 7.930 1.00 0.00 C ATOM 1186 OG SER A 84 0.290 1.114 8.563 1.00 0.00 O ATOM 0 H SER A 84 0.361 -1.958 6.212 1.00 0.00 H new ATOM 0 HA SER A 84 -1.353 0.353 6.494 1.00 0.00 H new ATOM 0 HB2 SER A 84 -0.533 -0.771 8.488 1.00 0.00 H new ATOM 0 HB3 SER A 84 1.128 -0.660 7.941 1.00 0.00 H new ATOM 0 HG SER A 84 0.600 0.989 9.484 1.00 0.00 H new ATOM 1192 N VAL A 85 0.031 2.266 5.684 1.00 0.00 N ATOM 1193 CA VAL A 85 0.747 3.346 5.015 1.00 0.00 C ATOM 1194 C VAL A 85 0.695 4.631 5.836 1.00 0.00 C ATOM 1195 O VAL A 85 -0.330 4.960 6.432 1.00 0.00 O ATOM 1196 CB VAL A 85 0.166 3.621 3.615 1.00 0.00 C ATOM 1197 CG1 VAL A 85 0.961 4.710 2.912 1.00 0.00 C ATOM 1198 CG2 VAL A 85 0.147 2.345 2.787 1.00 0.00 C ATOM 0 H VAL A 85 -0.869 2.538 6.079 1.00 0.00 H new ATOM 0 HA VAL A 85 1.783 3.024 4.914 1.00 0.00 H new ATOM 0 HB VAL A 85 -0.861 3.969 3.728 1.00 0.00 H new ATOM 0 HG11 VAL A 85 0.536 4.891 1.925 1.00 0.00 H new ATOM 0 HG12 VAL A 85 0.919 5.628 3.499 1.00 0.00 H new ATOM 0 HG13 VAL A 85 1.999 4.393 2.808 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -0.266 2.557 1.801 1.00 0.00 H new ATOM 0 HG22 VAL A 85 1.163 1.965 2.680 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -0.469 1.597 3.286 1.00 0.00 H new ATOM 1208 N LYS A 86 1.810 5.354 5.862 1.00 0.00 N ATOM 1209 CA LYS A 86 1.894 6.604 6.607 1.00 0.00 C ATOM 1210 C LYS A 86 2.428 7.728 5.726 1.00 0.00 C ATOM 1211 O LYS A 86 2.911 7.486 4.619 1.00 0.00 O ATOM 1212 CB LYS A 86 2.793 6.431 7.833 1.00 0.00 C ATOM 1213 CG LYS A 86 2.393 7.306 9.009 1.00 0.00 C ATOM 1214 CD LYS A 86 3.199 6.970 10.253 1.00 0.00 C ATOM 1215 CE LYS A 86 2.627 7.652 11.488 1.00 0.00 C ATOM 1216 NZ LYS A 86 1.534 6.852 12.107 1.00 0.00 N ATOM 0 H LYS A 86 2.668 5.095 5.375 1.00 0.00 H new ATOM 0 HA LYS A 86 0.889 6.870 6.935 1.00 0.00 H new ATOM 0 HB2 LYS A 86 2.772 5.387 8.144 1.00 0.00 H new ATOM 0 HB3 LYS A 86 3.822 6.660 7.554 1.00 0.00 H new ATOM 0 HG2 LYS A 86 2.541 8.355 8.751 1.00 0.00 H new ATOM 0 HG3 LYS A 86 1.331 7.176 9.216 1.00 0.00 H new ATOM 0 HD2 LYS A 86 3.206 5.890 10.403 1.00 0.00 H new ATOM 0 HD3 LYS A 86 4.235 7.279 10.112 1.00 0.00 H new ATOM 0 HE2 LYS A 86 3.422 7.807 12.218 1.00 0.00 H new ATOM 0 HE3 LYS A 86 2.247 8.637 11.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 1.598 6.919 13.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 0.614 7.220 11.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 1.626 5.857 11.818 1.00 0.00 H new ATOM 1230 N TYR A 87 2.341 8.956 6.224 1.00 0.00 N ATOM 1231 CA TYR A 87 2.816 10.118 5.481 1.00 0.00 C ATOM 1232 C TYR A 87 3.206 11.248 6.427 1.00 0.00 C ATOM 1233 O TYR A 87 2.348 11.891 7.032 1.00 0.00 O ATOM 1234 CB TYR A 87 1.739 10.602 4.508 1.00 0.00 C ATOM 1235 CG TYR A 87 2.295 11.309 3.293 1.00 0.00 C ATOM 1236 CD1 TYR A 87 2.897 10.596 2.264 1.00 0.00 C ATOM 1237 CD2 TYR A 87 2.219 12.692 3.175 1.00 0.00 C ATOM 1238 CE1 TYR A 87 3.406 11.239 1.152 1.00 0.00 C ATOM 1239 CE2 TYR A 87 2.726 13.342 2.067 1.00 0.00 C ATOM 1240 CZ TYR A 87 3.317 12.612 1.058 1.00 0.00 C ATOM 1241 OH TYR A 87 3.825 13.257 -0.047 1.00 0.00 O ATOM 0 H TYR A 87 1.946 9.173 7.139 1.00 0.00 H new ATOM 0 HA TYR A 87 3.700 9.820 4.917 1.00 0.00 H new ATOM 0 HB2 TYR A 87 1.146 9.748 4.181 1.00 0.00 H new ATOM 0 HB3 TYR A 87 1.063 11.277 5.033 1.00 0.00 H new ATOM 0 HD1 TYR A 87 2.968 9.521 2.334 1.00 0.00 H new ATOM 0 HD2 TYR A 87 1.756 13.268 3.963 1.00 0.00 H new ATOM 0 HE1 TYR A 87 3.871 10.670 0.361 1.00 0.00 H new ATOM 0 HE2 TYR A 87 2.660 14.417 1.991 1.00 0.00 H new ATOM 0 HH TYR A 87 4.802 13.296 0.017 1.00 0.00 H new ATOM 1251 N ALA A 88 4.508 11.484 6.552 1.00 0.00 N ATOM 1252 CA ALA A 88 5.014 12.538 7.423 1.00 0.00 C ATOM 1253 C ALA A 88 4.670 12.257 8.881 1.00 0.00 C ATOM 1254 O ALA A 88 4.263 13.156 9.618 1.00 0.00 O ATOM 1255 CB ALA A 88 4.455 13.888 6.997 1.00 0.00 C ATOM 0 H ALA A 88 5.232 10.959 6.061 1.00 0.00 H new ATOM 0 HA ALA A 88 6.100 12.561 7.331 1.00 0.00 H new ATOM 0 HB1 ALA A 88 4.841 14.666 7.656 1.00 0.00 H new ATOM 0 HB2 ALA A 88 4.756 14.099 5.971 1.00 0.00 H new ATOM 0 HB3 ALA A 88 3.367 13.867 7.059 1.00 0.00 H new ATOM 1261 N ASP A 89 4.836 11.005 9.293 1.00 0.00 N ATOM 1262 CA ASP A 89 4.543 10.605 10.665 1.00 0.00 C ATOM 1263 C ASP A 89 3.065 10.803 10.984 1.00 0.00 C ATOM 1264 O ASP A 89 2.708 11.188 12.097 1.00 0.00 O ATOM 1265 CB ASP A 89 5.403 11.405 11.645 1.00 0.00 C ATOM 1266 CG ASP A 89 6.855 10.971 11.629 1.00 0.00 C ATOM 1267 OD1 ASP A 89 7.131 9.809 11.993 1.00 0.00 O ATOM 1268 OD2 ASP A 89 7.716 11.794 11.254 1.00 0.00 O ATOM 0 H ASP A 89 5.172 10.249 8.696 1.00 0.00 H new ATOM 0 HA ASP A 89 4.779 9.546 10.769 1.00 0.00 H new ATOM 0 HB2 ASP A 89 5.341 12.465 11.397 1.00 0.00 H new ATOM 0 HB3 ASP A 89 5.003 11.289 12.653 1.00 0.00 H new ATOM 1273 N GLU A 90 2.211 10.539 10.000 1.00 0.00 N ATOM 1274 CA GLU A 90 0.771 10.691 10.178 1.00 0.00 C ATOM 1275 C GLU A 90 0.010 9.665 9.345 1.00 0.00 C ATOM 1276 O GLU A 90 -0.095 9.794 8.127 1.00 0.00 O ATOM 1277 CB GLU A 90 0.334 12.105 9.790 1.00 0.00 C ATOM 1278 CG GLU A 90 0.940 13.191 10.663 1.00 0.00 C ATOM 1279 CD GLU A 90 0.058 14.421 10.763 1.00 0.00 C ATOM 1280 OE1 GLU A 90 0.200 15.323 9.910 1.00 0.00 O ATOM 1281 OE2 GLU A 90 -0.774 14.481 11.691 1.00 0.00 O ATOM 0 H GLU A 90 2.490 10.219 9.073 1.00 0.00 H new ATOM 0 HA GLU A 90 0.540 10.523 11.230 1.00 0.00 H new ATOM 0 HB2 GLU A 90 0.610 12.289 8.752 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -0.753 12.169 9.847 1.00 0.00 H new ATOM 0 HG2 GLU A 90 1.116 12.793 11.662 1.00 0.00 H new ATOM 0 HG3 GLU A 90 1.911 13.477 10.259 1.00 0.00 H new ATOM 1288 N GLU A 91 -0.520 8.644 10.014 1.00 0.00 N ATOM 1289 CA GLU A 91 -1.271 7.595 9.335 1.00 0.00 C ATOM 1290 C GLU A 91 -2.376 8.191 8.467 1.00 0.00 C ATOM 1291 O GLU A 91 -3.284 8.855 8.969 1.00 0.00 O ATOM 1292 CB GLU A 91 -1.874 6.628 10.356 1.00 0.00 C ATOM 1293 CG GLU A 91 -1.002 5.417 10.636 1.00 0.00 C ATOM 1294 CD GLU A 91 -1.177 4.885 12.046 1.00 0.00 C ATOM 1295 OE1 GLU A 91 -2.082 4.051 12.257 1.00 0.00 O ATOM 1296 OE2 GLU A 91 -0.409 5.303 12.937 1.00 0.00 O ATOM 0 H GLU A 91 -0.443 8.522 11.024 1.00 0.00 H new ATOM 0 HA GLU A 91 -0.582 7.049 8.690 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -2.050 7.162 11.290 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -2.845 6.290 9.994 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -1.241 4.629 9.922 1.00 0.00 H new ATOM 0 HG3 GLU A 91 0.043 5.683 10.479 1.00 0.00 H new ATOM 1303 N ILE A 92 -2.291 7.949 7.163 1.00 0.00 N ATOM 1304 CA ILE A 92 -3.284 8.461 6.226 1.00 0.00 C ATOM 1305 C ILE A 92 -4.684 7.979 6.590 1.00 0.00 C ATOM 1306 O ILE A 92 -4.866 6.926 7.201 1.00 0.00 O ATOM 1307 CB ILE A 92 -2.966 8.033 4.781 1.00 0.00 C ATOM 1308 CG1 ILE A 92 -2.975 6.508 4.664 1.00 0.00 C ATOM 1309 CG2 ILE A 92 -1.621 8.596 4.346 1.00 0.00 C ATOM 1310 CD1 ILE A 92 -2.940 6.011 3.235 1.00 0.00 C ATOM 0 H ILE A 92 -1.546 7.402 6.732 1.00 0.00 H new ATOM 0 HA ILE A 92 -3.249 9.548 6.291 1.00 0.00 H new ATOM 0 HB ILE A 92 -3.736 8.433 4.121 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -2.116 6.105 5.201 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -3.868 6.119 5.154 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -1.410 8.285 3.323 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -1.649 9.684 4.396 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -0.839 8.222 5.007 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -2.949 4.921 3.229 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -3.813 6.384 2.699 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -2.034 6.370 2.747 1.00 0.00 H new ATOM 1322 N PRO A 93 -5.699 8.767 6.207 1.00 0.00 N ATOM 1323 CA PRO A 93 -7.101 8.441 6.480 1.00 0.00 C ATOM 1324 C PRO A 93 -7.589 7.248 5.664 1.00 0.00 C ATOM 1325 O PRO A 93 -8.767 6.892 5.711 1.00 0.00 O ATOM 1326 CB PRO A 93 -7.848 9.713 6.069 1.00 0.00 C ATOM 1327 CG PRO A 93 -6.964 10.361 5.061 1.00 0.00 C ATOM 1328 CD PRO A 93 -5.556 10.038 5.476 1.00 0.00 C ATOM 0 HA PRO A 93 -7.258 8.156 7.520 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -8.825 9.479 5.647 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -8.018 10.366 6.925 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -7.172 9.984 4.060 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -7.126 11.439 5.036 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -4.897 9.934 4.614 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -5.134 10.820 6.108 1.00 0.00 H new ATOM 1336 N ARG A 94 -6.677 6.637 4.915 1.00 0.00 N ATOM 1337 CA ARG A 94 -7.015 5.485 4.088 1.00 0.00 C ATOM 1338 C ARG A 94 -6.254 4.245 4.545 1.00 0.00 C ATOM 1339 O ARG A 94 -6.332 3.189 3.918 1.00 0.00 O ATOM 1340 CB ARG A 94 -6.702 5.777 2.619 1.00 0.00 C ATOM 1341 CG ARG A 94 -7.565 6.873 2.018 1.00 0.00 C ATOM 1342 CD ARG A 94 -7.285 7.053 0.534 1.00 0.00 C ATOM 1343 NE ARG A 94 -7.732 5.905 -0.251 1.00 0.00 N ATOM 1344 CZ ARG A 94 -8.998 5.702 -0.601 1.00 0.00 C ATOM 1345 NH1 ARG A 94 -9.936 6.567 -0.238 1.00 0.00 N ATOM 1346 NH2 ARG A 94 -9.327 4.635 -1.316 1.00 0.00 N ATOM 0 H ARG A 94 -5.699 6.920 4.864 1.00 0.00 H new ATOM 0 HA ARG A 94 -8.083 5.293 4.194 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -5.654 6.062 2.530 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -6.835 4.863 2.040 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -8.617 6.630 2.164 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -7.379 7.811 2.541 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -7.786 7.953 0.177 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -6.216 7.202 0.382 1.00 0.00 H new ATOM 0 HE ARG A 94 -7.035 5.222 -0.547 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -9.686 7.390 0.311 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -10.907 6.409 -0.508 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -8.608 3.969 -1.598 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -10.299 4.480 -1.584 1.00 0.00 H new ATOM 1360 N SER A 95 -5.516 4.381 5.643 1.00 0.00 N ATOM 1361 CA SER A 95 -4.737 3.273 6.182 1.00 0.00 C ATOM 1362 C SER A 95 -5.218 2.902 7.582 1.00 0.00 C ATOM 1363 O SER A 95 -5.770 3.721 8.314 1.00 0.00 O ATOM 1364 CB SER A 95 -3.252 3.638 6.221 1.00 0.00 C ATOM 1365 OG SER A 95 -2.599 3.004 7.308 1.00 0.00 O ATOM 0 H SER A 95 -5.442 5.247 6.176 1.00 0.00 H new ATOM 0 HA SER A 95 -4.875 2.412 5.529 1.00 0.00 H new ATOM 0 HB2 SER A 95 -2.777 3.343 5.285 1.00 0.00 H new ATOM 0 HB3 SER A 95 -3.142 4.719 6.307 1.00 0.00 H new ATOM 0 HG SER A 95 -1.863 3.570 7.623 1.00 0.00 H new ATOM 1371 N PRO A 96 -5.003 1.633 7.962 1.00 0.00 N ATOM 1372 CA PRO A 96 -4.348 0.647 7.098 1.00 0.00 C ATOM 1373 C PRO A 96 -5.217 0.247 5.911 1.00 0.00 C ATOM 1374 O PRO A 96 -6.347 0.714 5.772 1.00 0.00 O ATOM 1375 CB PRO A 96 -4.128 -0.550 8.028 1.00 0.00 C ATOM 1376 CG PRO A 96 -5.179 -0.414 9.074 1.00 0.00 C ATOM 1377 CD PRO A 96 -5.385 1.064 9.265 1.00 0.00 C ATOM 0 HA PRO A 96 -3.430 1.037 6.658 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -4.225 -1.493 7.490 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -3.130 -0.534 8.465 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -6.104 -0.900 8.763 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -4.867 -0.888 10.005 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -6.420 1.296 9.517 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -4.765 1.455 10.072 1.00 0.00 H new ATOM 1385 N PHE A 97 -4.682 -0.620 5.058 1.00 0.00 N ATOM 1386 CA PHE A 97 -5.410 -1.083 3.882 1.00 0.00 C ATOM 1387 C PHE A 97 -5.689 -2.581 3.969 1.00 0.00 C ATOM 1388 O PHE A 97 -4.766 -3.393 4.049 1.00 0.00 O ATOM 1389 CB PHE A 97 -4.617 -0.774 2.610 1.00 0.00 C ATOM 1390 CG PHE A 97 -4.566 0.690 2.277 1.00 0.00 C ATOM 1391 CD1 PHE A 97 -3.640 1.521 2.886 1.00 0.00 C ATOM 1392 CD2 PHE A 97 -5.444 1.234 1.354 1.00 0.00 C ATOM 1393 CE1 PHE A 97 -3.592 2.868 2.581 1.00 0.00 C ATOM 1394 CE2 PHE A 97 -5.401 2.580 1.045 1.00 0.00 C ATOM 1395 CZ PHE A 97 -4.473 3.398 1.659 1.00 0.00 C ATOM 0 H PHE A 97 -3.747 -1.016 5.159 1.00 0.00 H new ATOM 0 HA PHE A 97 -6.363 -0.555 3.845 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -3.600 -1.148 2.726 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -5.062 -1.314 1.774 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -2.948 1.112 3.607 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -6.171 0.598 0.870 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -2.866 3.506 3.063 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -6.092 2.992 0.324 1.00 0.00 H new ATOM 0 HZ PHE A 97 -4.436 4.450 1.419 1.00 0.00 H new ATOM 1405 N LYS A 98 -6.967 -2.941 3.954 1.00 0.00 N ATOM 1406 CA LYS A 98 -7.371 -4.340 4.031 1.00 0.00 C ATOM 1407 C LYS A 98 -7.235 -5.020 2.672 1.00 0.00 C ATOM 1408 O LYS A 98 -8.097 -4.875 1.805 1.00 0.00 O ATOM 1409 CB LYS A 98 -8.814 -4.450 4.526 1.00 0.00 C ATOM 1410 CG LYS A 98 -9.821 -3.757 3.625 1.00 0.00 C ATOM 1411 CD LYS A 98 -11.095 -3.409 4.375 1.00 0.00 C ATOM 1412 CE LYS A 98 -10.901 -2.193 5.267 1.00 0.00 C ATOM 1413 NZ LYS A 98 -12.123 -1.887 6.063 1.00 0.00 N ATOM 0 H LYS A 98 -7.743 -2.282 3.889 1.00 0.00 H new ATOM 0 HA LYS A 98 -6.712 -4.844 4.738 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -9.080 -5.503 4.612 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -8.880 -4.022 5.526 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -9.379 -2.848 3.216 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -10.060 -4.404 2.781 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -11.897 -3.215 3.662 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -11.406 -4.260 4.981 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -10.063 -2.368 5.941 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -10.642 -1.330 4.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -11.950 -1.052 6.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -12.917 -1.695 5.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -12.356 -2.700 6.668 1.00 0.00 H new ATOM 1427 N VAL A 99 -6.147 -5.764 2.493 1.00 0.00 N ATOM 1428 CA VAL A 99 -5.901 -6.469 1.241 1.00 0.00 C ATOM 1429 C VAL A 99 -6.083 -7.973 1.412 1.00 0.00 C ATOM 1430 O VAL A 99 -5.214 -8.657 1.953 1.00 0.00 O ATOM 1431 CB VAL A 99 -4.482 -6.192 0.711 1.00 0.00 C ATOM 1432 CG1 VAL A 99 -4.227 -6.975 -0.567 1.00 0.00 C ATOM 1433 CG2 VAL A 99 -4.281 -4.701 0.481 1.00 0.00 C ATOM 0 H VAL A 99 -5.423 -5.894 3.199 1.00 0.00 H new ATOM 0 HA VAL A 99 -6.629 -6.098 0.520 1.00 0.00 H new ATOM 0 HB VAL A 99 -3.762 -6.522 1.460 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -3.219 -6.766 -0.927 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -4.327 -8.042 -0.366 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -4.951 -6.679 -1.326 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -3.273 -4.523 0.107 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -5.007 -4.344 -0.249 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -4.419 -4.166 1.421 1.00 0.00 H new ATOM 1443 N LYS A 100 -7.218 -8.483 0.947 1.00 0.00 N ATOM 1444 CA LYS A 100 -7.515 -9.907 1.046 1.00 0.00 C ATOM 1445 C LYS A 100 -6.866 -10.680 -0.098 1.00 0.00 C ATOM 1446 O LYS A 100 -7.395 -10.726 -1.208 1.00 0.00 O ATOM 1447 CB LYS A 100 -9.028 -10.135 1.035 1.00 0.00 C ATOM 1448 CG LYS A 100 -9.425 -11.592 1.204 1.00 0.00 C ATOM 1449 CD LYS A 100 -10.935 -11.755 1.264 1.00 0.00 C ATOM 1450 CE LYS A 100 -11.530 -11.951 -0.121 1.00 0.00 C ATOM 1451 NZ LYS A 100 -11.902 -10.655 -0.753 1.00 0.00 N ATOM 0 H LYS A 100 -7.948 -7.931 0.497 1.00 0.00 H new ATOM 0 HA LYS A 100 -7.105 -10.273 1.987 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -9.481 -9.549 1.834 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -9.436 -9.762 0.096 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -9.028 -12.177 0.375 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -8.979 -11.988 2.116 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -11.185 -12.610 1.893 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -11.379 -10.875 1.731 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -10.812 -12.471 -0.755 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -12.412 -12.587 -0.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -12.930 -10.628 -0.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -11.627 -9.872 -0.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -11.410 -10.559 -1.664 1.00 0.00 H new ATOM 1465 N VAL A 101 -5.717 -11.285 0.182 1.00 0.00 N ATOM 1466 CA VAL A 101 -4.996 -12.059 -0.824 1.00 0.00 C ATOM 1467 C VAL A 101 -5.734 -13.351 -1.156 1.00 0.00 C ATOM 1468 O VAL A 101 -6.359 -13.961 -0.289 1.00 0.00 O ATOM 1469 CB VAL A 101 -3.570 -12.400 -0.353 1.00 0.00 C ATOM 1470 CG1 VAL A 101 -2.820 -13.165 -1.432 1.00 0.00 C ATOM 1471 CG2 VAL A 101 -2.820 -11.135 0.035 1.00 0.00 C ATOM 0 H VAL A 101 -5.265 -11.255 1.096 1.00 0.00 H new ATOM 0 HA VAL A 101 -4.936 -11.439 -1.718 1.00 0.00 H new ATOM 0 HB VAL A 101 -3.640 -13.038 0.528 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -1.814 -13.397 -1.081 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -3.349 -14.091 -1.656 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -2.758 -12.556 -2.334 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -1.814 -11.395 0.365 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -2.758 -10.470 -0.826 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -3.349 -10.632 0.845 1.00 0.00 H new ATOM 1481 N LEU A 102 -5.655 -13.762 -2.416 1.00 0.00 N ATOM 1482 CA LEU A 102 -6.315 -14.984 -2.865 1.00 0.00 C ATOM 1483 C LEU A 102 -5.291 -16.066 -3.193 1.00 0.00 C ATOM 1484 O LEU A 102 -4.141 -15.785 -3.531 1.00 0.00 O ATOM 1485 CB LEU A 102 -7.182 -14.698 -4.091 1.00 0.00 C ATOM 1486 CG LEU A 102 -8.434 -13.853 -3.846 1.00 0.00 C ATOM 1487 CD1 LEU A 102 -9.043 -13.405 -5.165 1.00 0.00 C ATOM 1488 CD2 LEU A 102 -9.451 -14.633 -3.024 1.00 0.00 C ATOM 0 H LEU A 102 -5.141 -13.268 -3.145 1.00 0.00 H new ATOM 0 HA LEU A 102 -6.950 -15.344 -2.055 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -6.567 -14.193 -4.836 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -7.490 -15.650 -4.524 1.00 0.00 H new ATOM 0 HG LEU A 102 -8.145 -12.965 -3.283 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -9.932 -12.805 -4.970 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -8.317 -12.808 -5.717 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -9.317 -14.280 -5.755 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -10.335 -14.017 -2.859 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -9.735 -15.539 -3.560 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -9.012 -14.903 -2.063 1.00 0.00 H new ATOM 1500 N PRO A 103 -5.718 -17.333 -3.095 1.00 0.00 N ATOM 1501 CA PRO A 103 -4.855 -18.485 -3.381 1.00 0.00 C ATOM 1502 C PRO A 103 -4.525 -18.606 -4.864 1.00 0.00 C ATOM 1503 O PRO A 103 -5.419 -18.675 -5.707 1.00 0.00 O ATOM 1504 CB PRO A 103 -5.693 -19.679 -2.919 1.00 0.00 C ATOM 1505 CG PRO A 103 -7.104 -19.212 -3.014 1.00 0.00 C ATOM 1506 CD PRO A 103 -7.076 -17.742 -2.699 1.00 0.00 C ATOM 0 HA PRO A 103 -3.890 -18.407 -2.881 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -5.521 -20.551 -3.550 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -5.440 -19.969 -1.899 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -7.508 -19.390 -4.011 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -7.741 -19.750 -2.312 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -7.838 -17.197 -3.256 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -7.260 -17.554 -1.641 1.00 0.00 H new ATOM 1514 N THR A 104 -3.233 -18.635 -5.178 1.00 0.00 N ATOM 1515 CA THR A 104 -2.784 -18.749 -6.560 1.00 0.00 C ATOM 1516 C THR A 104 -3.729 -19.626 -7.374 1.00 0.00 C ATOM 1517 O THR A 104 -3.920 -19.404 -8.570 1.00 0.00 O ATOM 1518 CB THR A 104 -1.361 -19.332 -6.643 1.00 0.00 C ATOM 1519 OG1 THR A 104 -0.433 -18.451 -6.001 1.00 0.00 O ATOM 1520 CG2 THR A 104 -0.947 -19.547 -8.090 1.00 0.00 C ATOM 0 H THR A 104 -2.479 -18.581 -4.493 1.00 0.00 H new ATOM 0 HA THR A 104 -2.780 -17.741 -6.975 1.00 0.00 H new ATOM 0 HB THR A 104 -1.357 -20.296 -6.135 1.00 0.00 H new ATOM 0 HG1 THR A 104 -0.674 -17.522 -6.198 1.00 0.00 H new ATOM 0 HG21 THR A 104 0.061 -19.959 -8.122 1.00 0.00 H new ATOM 0 HG22 THR A 104 -1.639 -20.242 -8.567 1.00 0.00 H new ATOM 0 HG23 THR A 104 -0.967 -18.594 -8.619 1.00 0.00 H new ATOM 1528 N TYR A 105 -4.317 -20.621 -6.719 1.00 0.00 N ATOM 1529 CA TYR A 105 -5.241 -21.533 -7.384 1.00 0.00 C ATOM 1530 C TYR A 105 -6.673 -21.291 -6.919 1.00 0.00 C ATOM 1531 O TYR A 105 -6.909 -20.580 -5.942 1.00 0.00 O ATOM 1532 CB TYR A 105 -4.842 -22.984 -7.111 1.00 0.00 C ATOM 1533 CG TYR A 105 -3.411 -23.300 -7.487 1.00 0.00 C ATOM 1534 CD1 TYR A 105 -3.085 -23.713 -8.774 1.00 0.00 C ATOM 1535 CD2 TYR A 105 -2.386 -23.185 -6.557 1.00 0.00 C ATOM 1536 CE1 TYR A 105 -1.781 -24.003 -9.121 1.00 0.00 C ATOM 1537 CE2 TYR A 105 -1.078 -23.472 -6.896 1.00 0.00 C ATOM 1538 CZ TYR A 105 -0.781 -23.881 -8.179 1.00 0.00 C ATOM 1539 OH TYR A 105 0.521 -24.168 -8.523 1.00 0.00 O ATOM 0 H TYR A 105 -4.171 -20.817 -5.729 1.00 0.00 H new ATOM 0 HA TYR A 105 -5.190 -21.345 -8.456 1.00 0.00 H new ATOM 0 HB2 TYR A 105 -4.986 -23.199 -6.052 1.00 0.00 H new ATOM 0 HB3 TYR A 105 -5.509 -23.646 -7.664 1.00 0.00 H new ATOM 0 HD1 TYR A 105 -3.865 -23.808 -9.515 1.00 0.00 H new ATOM 0 HD2 TYR A 105 -2.616 -22.866 -5.551 1.00 0.00 H new ATOM 0 HE1 TYR A 105 -1.545 -24.324 -10.125 1.00 0.00 H new ATOM 0 HE2 TYR A 105 -0.293 -23.377 -6.161 1.00 0.00 H new ATOM 0 HH TYR A 105 1.102 -24.031 -7.746 1.00 0.00 H new ATOM 1549 N ASP A 106 -7.626 -21.889 -7.625 1.00 0.00 N ATOM 1550 CA ASP A 106 -9.036 -21.741 -7.285 1.00 0.00 C ATOM 1551 C ASP A 106 -9.666 -23.097 -6.980 1.00 0.00 C ATOM 1552 O ASP A 106 -9.231 -24.125 -7.497 1.00 0.00 O ATOM 1553 CB ASP A 106 -9.790 -21.061 -8.429 1.00 0.00 C ATOM 1554 CG ASP A 106 -11.292 -21.233 -8.316 1.00 0.00 C ATOM 1555 OD1 ASP A 106 -11.879 -20.700 -7.351 1.00 0.00 O ATOM 1556 OD2 ASP A 106 -11.881 -21.901 -9.191 1.00 0.00 O ATOM 0 H ASP A 106 -7.448 -22.481 -8.436 1.00 0.00 H new ATOM 0 HA ASP A 106 -9.106 -21.118 -6.393 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -9.549 -19.998 -8.438 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -9.451 -21.473 -9.379 1.00 0.00 H new ATOM 1561 N ALA A 107 -10.692 -23.090 -6.135 1.00 0.00 N ATOM 1562 CA ALA A 107 -11.382 -24.319 -5.762 1.00 0.00 C ATOM 1563 C ALA A 107 -12.395 -24.724 -6.827 1.00 0.00 C ATOM 1564 O ALA A 107 -13.594 -24.492 -6.678 1.00 0.00 O ATOM 1565 CB ALA A 107 -12.070 -24.149 -4.414 1.00 0.00 C ATOM 0 H ALA A 107 -11.063 -22.248 -5.696 1.00 0.00 H new ATOM 0 HA ALA A 107 -10.640 -25.114 -5.682 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -12.581 -25.074 -4.147 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -11.326 -23.913 -3.653 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -12.796 -23.338 -4.476 1.00 0.00 H new ATOM 1571 N SER A 108 -11.904 -25.334 -7.902 1.00 0.00 N ATOM 1572 CA SER A 108 -12.766 -25.768 -8.995 1.00 0.00 C ATOM 1573 C SER A 108 -13.953 -26.568 -8.465 1.00 0.00 C ATOM 1574 O SER A 108 -14.983 -26.678 -9.127 1.00 0.00 O ATOM 1575 CB SER A 108 -11.972 -26.612 -9.994 1.00 0.00 C ATOM 1576 OG SER A 108 -11.291 -27.669 -9.341 1.00 0.00 O ATOM 0 H SER A 108 -10.914 -25.539 -8.039 1.00 0.00 H new ATOM 0 HA SER A 108 -13.145 -24.880 -9.501 1.00 0.00 H new ATOM 0 HB2 SER A 108 -12.646 -27.020 -10.747 1.00 0.00 H new ATOM 0 HB3 SER A 108 -11.254 -25.981 -10.518 1.00 0.00 H new ATOM 0 HG SER A 108 -10.793 -28.194 -10.001 1.00 0.00 H new TER 1582 SER A 108