USER MOD reduce.3.24.130724 H: found=0, std=0, add=832, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 830 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 57 LYS NZ :NH3+ 180:sc= -0.485 (180deg=-0.485) USER MOD Set 1.2: A 95 TYR OH : rot 180:sc= -0.0567 USER MOD Set 2.1: A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 53 LYS NZ :NH3+ -157:sc= -0.115 (180deg=-0.551) USER MOD Single : A 1 GLY N :NH3+ -106:sc= 0.0511 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= -0.054 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0.0256 USER MOD Single : A 8 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 ASN : amide:sc= -1.9! C(o=-1.9!,f=-6.5!) USER MOD Single : A 13 GLN : amide:sc= -0.0662 K(o=-0.066,f=-5.4!) USER MOD Single : A 14 ASN : amide:sc= 0.396 K(o=0.4,f=-5.6!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 35:sc= 0.832 USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 ASN : amide:sc= -0.185 X(o=-0.18,f=0) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 37 HIS : no HD1:sc= -1.93 X(o=-1.9,f=-1.6) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 152:sc= -0.265 (180deg=-1.33!) USER MOD Single : A 55 MET CE :methyl -127:sc= -1.05 (180deg=-3.63!) USER MOD Single : A 60 MET CE :methyl -141:sc= 0 (180deg=-0.151) USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 TYR OH : rot -18:sc= 0.752 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ -166:sc=-0.00729 (180deg=-0.151) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 TYR OH : rot -70:sc= 0.731 USER MOD Single : A 79 THR OG1 : rot 180:sc= -0.036 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 GLN :FLIP amide:sc= -0.0528 F(o=-1.8!,f=-0.053) USER MOD Single : A 83 MET CE :methyl -164:sc= -5.26! (180deg=-5.95!) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= -0.115 K(o=-0.12,f=-2.1!) USER MOD Single : A 88 LYS NZ :NH3+ -161:sc= -0.0308 (180deg=-0.235) USER MOD Single : A 89 SER OG : rot 110:sc= -0.171 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 THR OG1 : rot 78:sc= 0.673 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 ASN : amide:sc= -0.549 K(o=-0.55,f=-3.3!) USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 HIS : no HD1:sc= -1.59 X(o=-1.6,f=-1.4) USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -0.180 -47.742 -71.816 1.00 0.00 N ATOM 2 CA GLY A 1 -0.448 -47.349 -70.444 1.00 0.00 C ATOM 3 C GLY A 1 0.450 -46.220 -69.979 1.00 0.00 C ATOM 4 O GLY A 1 1.537 -46.019 -70.521 1.00 0.00 O ATOM 0 H1 GLY A 1 -0.943 -47.395 -72.432 1.00 0.00 H new ATOM 0 H2 GLY A 1 0.726 -47.334 -72.123 1.00 0.00 H new ATOM 0 H3 GLY A 1 -0.131 -48.779 -71.877 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -1.490 -47.041 -70.354 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -0.313 -48.210 -69.790 1.00 0.00 H new ATOM 8 N SER A 2 -0.004 -45.481 -68.972 1.00 0.00 N ATOM 9 CA SER A 2 0.764 -44.363 -68.437 1.00 0.00 C ATOM 10 C SER A 2 0.267 -43.979 -67.046 1.00 0.00 C ATOM 11 O SER A 2 -0.701 -44.548 -66.541 1.00 0.00 O ATOM 12 CB SER A 2 0.671 -43.158 -69.375 1.00 0.00 C ATOM 13 OG SER A 2 1.835 -42.355 -69.290 1.00 0.00 O ATOM 0 H SER A 2 -0.900 -45.636 -68.510 1.00 0.00 H new ATOM 0 HA SER A 2 1.806 -44.674 -68.359 1.00 0.00 H new ATOM 0 HB2 SER A 2 0.536 -43.501 -70.401 1.00 0.00 H new ATOM 0 HB3 SER A 2 -0.205 -42.562 -69.121 1.00 0.00 H new ATOM 0 HG SER A 2 1.752 -41.593 -69.900 1.00 0.00 H new ATOM 19 N SER A 3 0.938 -43.009 -66.432 1.00 0.00 N ATOM 20 CA SER A 3 0.568 -42.551 -65.098 1.00 0.00 C ATOM 21 C SER A 3 1.301 -41.260 -64.746 1.00 0.00 C ATOM 22 O SER A 3 2.234 -40.853 -65.437 1.00 0.00 O ATOM 23 CB SER A 3 0.883 -43.629 -64.060 1.00 0.00 C ATOM 24 OG SER A 3 0.319 -43.304 -62.801 1.00 0.00 O ATOM 0 H SER A 3 1.740 -42.526 -66.837 1.00 0.00 H new ATOM 0 HA SER A 3 -0.504 -42.354 -65.092 1.00 0.00 H new ATOM 0 HB2 SER A 3 0.495 -44.589 -64.399 1.00 0.00 H new ATOM 0 HB3 SER A 3 1.963 -43.739 -63.961 1.00 0.00 H new ATOM 0 HG SER A 3 0.533 -44.009 -62.155 1.00 0.00 H new ATOM 30 N GLY A 4 0.869 -40.618 -63.663 1.00 0.00 N ATOM 31 CA GLY A 4 1.494 -39.380 -63.237 1.00 0.00 C ATOM 32 C GLY A 4 1.372 -39.153 -61.743 1.00 0.00 C ATOM 33 O GLY A 4 1.100 -40.086 -60.987 1.00 0.00 O ATOM 0 H GLY A 4 0.098 -40.934 -63.074 1.00 0.00 H new ATOM 0 HA2 GLY A 4 2.548 -39.395 -63.514 1.00 0.00 H new ATOM 0 HA3 GLY A 4 1.037 -38.545 -63.767 1.00 0.00 H new ATOM 37 N SER A 5 1.573 -37.911 -61.316 1.00 0.00 N ATOM 38 CA SER A 5 1.489 -37.566 -59.902 1.00 0.00 C ATOM 39 C SER A 5 1.387 -36.055 -59.716 1.00 0.00 C ATOM 40 O SER A 5 1.405 -35.297 -60.686 1.00 0.00 O ATOM 41 CB SER A 5 2.710 -38.101 -59.151 1.00 0.00 C ATOM 42 OG SER A 5 2.390 -38.393 -57.801 1.00 0.00 O ATOM 0 H SER A 5 1.795 -37.127 -61.929 1.00 0.00 H new ATOM 0 HA SER A 5 0.589 -38.027 -59.495 1.00 0.00 H new ATOM 0 HB2 SER A 5 3.079 -39.001 -59.644 1.00 0.00 H new ATOM 0 HB3 SER A 5 3.514 -37.366 -59.187 1.00 0.00 H new ATOM 0 HG SER A 5 3.186 -38.735 -57.343 1.00 0.00 H new ATOM 48 N SER A 6 1.278 -35.624 -58.464 1.00 0.00 N ATOM 49 CA SER A 6 1.169 -34.205 -58.150 1.00 0.00 C ATOM 50 C SER A 6 1.891 -33.879 -56.846 1.00 0.00 C ATOM 51 O SER A 6 2.450 -34.762 -56.196 1.00 0.00 O ATOM 52 CB SER A 6 -0.302 -33.795 -58.047 1.00 0.00 C ATOM 53 OG SER A 6 -0.453 -32.394 -58.200 1.00 0.00 O ATOM 0 H SER A 6 1.263 -36.238 -57.650 1.00 0.00 H new ATOM 0 HA SER A 6 1.641 -33.643 -58.956 1.00 0.00 H new ATOM 0 HB2 SER A 6 -0.881 -34.312 -58.812 1.00 0.00 H new ATOM 0 HB3 SER A 6 -0.702 -34.104 -57.081 1.00 0.00 H new ATOM 0 HG SER A 6 -1.402 -32.158 -58.132 1.00 0.00 H new ATOM 59 N GLY A 7 1.875 -32.604 -56.470 1.00 0.00 N ATOM 60 CA GLY A 7 2.531 -32.183 -55.246 1.00 0.00 C ATOM 61 C GLY A 7 1.718 -31.165 -54.472 1.00 0.00 C ATOM 62 O GLY A 7 0.505 -31.062 -54.653 1.00 0.00 O ATOM 0 H GLY A 7 1.419 -31.855 -56.991 1.00 0.00 H new ATOM 0 HA2 GLY A 7 2.711 -33.054 -54.616 1.00 0.00 H new ATOM 0 HA3 GLY A 7 3.505 -31.757 -55.488 1.00 0.00 H new ATOM 66 N ASN A 8 2.386 -30.411 -53.605 1.00 0.00 N ATOM 67 CA ASN A 8 1.716 -29.397 -52.799 1.00 0.00 C ATOM 68 C ASN A 8 2.605 -28.170 -52.620 1.00 0.00 C ATOM 69 O ASN A 8 3.816 -28.231 -52.832 1.00 0.00 O ATOM 70 CB ASN A 8 1.338 -29.971 -51.432 1.00 0.00 C ATOM 71 CG ASN A 8 2.486 -29.911 -50.442 1.00 0.00 C ATOM 72 OD1 ASN A 8 3.446 -30.674 -50.542 1.00 0.00 O ATOM 73 ND2 ASN A 8 2.390 -29.001 -49.480 1.00 0.00 N ATOM 0 H ASN A 8 3.390 -30.483 -53.443 1.00 0.00 H new ATOM 0 HA ASN A 8 0.809 -29.093 -53.322 1.00 0.00 H new ATOM 0 HB2 ASN A 8 0.488 -29.419 -51.032 1.00 0.00 H new ATOM 0 HB3 ASN A 8 1.019 -31.006 -51.551 1.00 0.00 H new ATOM 0 HD21 ASN A 8 3.131 -28.914 -48.785 1.00 0.00 H new ATOM 0 HD22 ASN A 8 1.575 -28.389 -49.436 1.00 0.00 H new ATOM 80 N VAL A 9 1.994 -27.056 -52.228 1.00 0.00 N ATOM 81 CA VAL A 9 2.729 -25.814 -52.018 1.00 0.00 C ATOM 82 C VAL A 9 2.465 -25.247 -50.628 1.00 0.00 C ATOM 83 O VAL A 9 1.323 -25.206 -50.170 1.00 0.00 O ATOM 84 CB VAL A 9 2.355 -24.756 -53.073 1.00 0.00 C ATOM 85 CG1 VAL A 9 3.163 -23.484 -52.863 1.00 0.00 C ATOM 86 CG2 VAL A 9 2.564 -25.305 -54.476 1.00 0.00 C ATOM 0 H VAL A 9 0.992 -26.988 -52.050 1.00 0.00 H new ATOM 0 HA VAL A 9 3.788 -26.053 -52.114 1.00 0.00 H new ATOM 0 HB VAL A 9 1.299 -24.511 -52.958 1.00 0.00 H new ATOM 0 HG11 VAL A 9 2.885 -22.748 -53.617 1.00 0.00 H new ATOM 0 HG12 VAL A 9 2.957 -23.082 -51.871 1.00 0.00 H new ATOM 0 HG13 VAL A 9 4.226 -23.710 -52.950 1.00 0.00 H new ATOM 0 HG21 VAL A 9 2.295 -24.544 -55.208 1.00 0.00 H new ATOM 0 HG22 VAL A 9 3.611 -25.580 -54.607 1.00 0.00 H new ATOM 0 HG23 VAL A 9 1.937 -26.185 -54.620 1.00 0.00 H new ATOM 96 N ASP A 10 3.528 -24.810 -49.962 1.00 0.00 N ATOM 97 CA ASP A 10 3.411 -24.243 -48.623 1.00 0.00 C ATOM 98 C ASP A 10 3.628 -22.733 -48.652 1.00 0.00 C ATOM 99 O ASP A 10 4.029 -22.173 -49.672 1.00 0.00 O ATOM 100 CB ASP A 10 4.419 -24.898 -47.679 1.00 0.00 C ATOM 101 CG ASP A 10 4.101 -24.637 -46.220 1.00 0.00 C ATOM 102 OD1 ASP A 10 2.953 -24.904 -45.806 1.00 0.00 O ATOM 103 OD2 ASP A 10 4.999 -24.167 -45.491 1.00 0.00 O ATOM 0 H ASP A 10 4.480 -24.837 -50.327 1.00 0.00 H new ATOM 0 HA ASP A 10 2.403 -24.440 -48.258 1.00 0.00 H new ATOM 0 HB2 ASP A 10 4.434 -25.973 -47.858 1.00 0.00 H new ATOM 0 HB3 ASP A 10 5.418 -24.524 -47.903 1.00 0.00 H new ATOM 108 N SER A 11 3.361 -22.080 -47.526 1.00 0.00 N ATOM 109 CA SER A 11 3.522 -20.635 -47.423 1.00 0.00 C ATOM 110 C SER A 11 4.195 -20.255 -46.107 1.00 0.00 C ATOM 111 O SER A 11 4.489 -21.115 -45.278 1.00 0.00 O ATOM 112 CB SER A 11 2.164 -19.939 -47.533 1.00 0.00 C ATOM 113 OG SER A 11 2.306 -18.619 -48.029 1.00 0.00 O ATOM 0 H SER A 11 3.032 -22.529 -46.671 1.00 0.00 H new ATOM 0 HA SER A 11 4.158 -20.307 -48.245 1.00 0.00 H new ATOM 0 HB2 SER A 11 1.511 -20.511 -48.193 1.00 0.00 H new ATOM 0 HB3 SER A 11 1.685 -19.914 -46.554 1.00 0.00 H new ATOM 0 HG SER A 11 1.424 -18.196 -48.092 1.00 0.00 H new ATOM 119 N ASN A 12 4.436 -18.961 -45.925 1.00 0.00 N ATOM 120 CA ASN A 12 5.075 -18.466 -44.711 1.00 0.00 C ATOM 121 C ASN A 12 4.202 -17.421 -44.024 1.00 0.00 C ATOM 122 O ASN A 12 3.111 -17.103 -44.495 1.00 0.00 O ATOM 123 CB ASN A 12 6.445 -17.868 -45.038 1.00 0.00 C ATOM 124 CG ASN A 12 6.338 -16.568 -45.811 1.00 0.00 C ATOM 125 OD1 ASN A 12 5.315 -15.885 -45.760 1.00 0.00 O ATOM 126 ND2 ASN A 12 7.397 -16.220 -46.533 1.00 0.00 N ATOM 0 H ASN A 12 4.199 -18.236 -46.602 1.00 0.00 H new ATOM 0 HA ASN A 12 5.207 -19.307 -44.031 1.00 0.00 H new ATOM 0 HB2 ASN A 12 6.993 -17.693 -44.112 1.00 0.00 H new ATOM 0 HB3 ASN A 12 7.023 -18.587 -45.619 1.00 0.00 H new ATOM 0 HD21 ASN A 12 7.383 -15.356 -47.075 1.00 0.00 H new ATOM 0 HD22 ASN A 12 8.224 -16.817 -46.546 1.00 0.00 H new ATOM 133 N GLN A 13 4.691 -16.890 -42.908 1.00 0.00 N ATOM 134 CA GLN A 13 3.955 -15.881 -42.156 1.00 0.00 C ATOM 135 C GLN A 13 4.818 -14.647 -41.912 1.00 0.00 C ATOM 136 O GLN A 13 6.044 -14.735 -41.866 1.00 0.00 O ATOM 137 CB GLN A 13 3.478 -16.456 -40.821 1.00 0.00 C ATOM 138 CG GLN A 13 2.796 -15.433 -39.927 1.00 0.00 C ATOM 139 CD GLN A 13 1.450 -14.991 -40.467 1.00 0.00 C ATOM 140 OE1 GLN A 13 1.356 -14.462 -41.575 1.00 0.00 O ATOM 141 NE2 GLN A 13 0.398 -15.205 -39.685 1.00 0.00 N ATOM 0 H GLN A 13 5.593 -17.142 -42.505 1.00 0.00 H new ATOM 0 HA GLN A 13 3.088 -15.585 -42.746 1.00 0.00 H new ATOM 0 HB2 GLN A 13 2.786 -17.276 -41.014 1.00 0.00 H new ATOM 0 HB3 GLN A 13 4.332 -16.878 -40.291 1.00 0.00 H new ATOM 0 HG2 GLN A 13 2.662 -15.857 -38.932 1.00 0.00 H new ATOM 0 HG3 GLN A 13 3.443 -14.563 -39.818 1.00 0.00 H new ATOM 0 HE21 GLN A 13 0.521 -15.647 -38.774 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -0.533 -14.928 -39.996 1.00 0.00 H new ATOM 150 N ASN A 14 4.168 -13.498 -41.756 1.00 0.00 N ATOM 151 CA ASN A 14 4.877 -12.246 -41.518 1.00 0.00 C ATOM 152 C ASN A 14 3.945 -11.201 -40.910 1.00 0.00 C ATOM 153 O ASN A 14 2.769 -11.470 -40.663 1.00 0.00 O ATOM 154 CB ASN A 14 5.472 -11.716 -42.824 1.00 0.00 C ATOM 155 CG ASN A 14 6.712 -10.873 -42.594 1.00 0.00 C ATOM 156 OD1 ASN A 14 7.020 -10.499 -41.463 1.00 0.00 O ATOM 157 ND2 ASN A 14 7.429 -10.570 -43.670 1.00 0.00 N ATOM 0 H ASN A 14 3.153 -13.408 -41.790 1.00 0.00 H new ATOM 0 HA ASN A 14 5.684 -12.443 -40.812 1.00 0.00 H new ATOM 0 HB2 ASN A 14 5.722 -12.555 -43.473 1.00 0.00 H new ATOM 0 HB3 ASN A 14 4.723 -11.121 -43.346 1.00 0.00 H new ATOM 0 HD21 ASN A 14 8.273 -10.005 -43.578 1.00 0.00 H new ATOM 0 HD22 ASN A 14 7.135 -10.902 -44.589 1.00 0.00 H new ATOM 164 N LYS A 15 4.479 -10.008 -40.670 1.00 0.00 N ATOM 165 CA LYS A 15 3.698 -8.922 -40.093 1.00 0.00 C ATOM 166 C LYS A 15 3.108 -9.331 -38.747 1.00 0.00 C ATOM 167 O LYS A 15 1.901 -9.229 -38.530 1.00 0.00 O ATOM 168 CB LYS A 15 2.576 -8.509 -41.048 1.00 0.00 C ATOM 169 CG LYS A 15 3.067 -7.764 -42.278 1.00 0.00 C ATOM 170 CD LYS A 15 1.955 -6.951 -42.918 1.00 0.00 C ATOM 171 CE LYS A 15 2.510 -5.804 -43.748 1.00 0.00 C ATOM 172 NZ LYS A 15 2.915 -4.650 -42.899 1.00 0.00 N ATOM 0 H LYS A 15 5.451 -9.769 -40.867 1.00 0.00 H new ATOM 0 HA LYS A 15 4.364 -8.074 -39.936 1.00 0.00 H new ATOM 0 HB2 LYS A 15 2.034 -9.400 -41.365 1.00 0.00 H new ATOM 0 HB3 LYS A 15 1.867 -7.879 -40.511 1.00 0.00 H new ATOM 0 HG2 LYS A 15 3.888 -7.103 -42.001 1.00 0.00 H new ATOM 0 HG3 LYS A 15 3.461 -8.476 -43.003 1.00 0.00 H new ATOM 0 HD2 LYS A 15 1.347 -7.598 -43.550 1.00 0.00 H new ATOM 0 HD3 LYS A 15 1.299 -6.556 -42.142 1.00 0.00 H new ATOM 0 HE2 LYS A 15 3.369 -6.153 -44.321 1.00 0.00 H new ATOM 0 HE3 LYS A 15 1.758 -5.479 -44.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 3.288 -3.889 -43.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 2.090 -4.301 -42.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 3.651 -4.953 -42.229 1.00 0.00 H new ATOM 186 N ALA A 16 3.969 -9.792 -37.845 1.00 0.00 N ATOM 187 CA ALA A 16 3.533 -10.213 -36.519 1.00 0.00 C ATOM 188 C ALA A 16 2.660 -9.148 -35.864 1.00 0.00 C ATOM 189 O ALA A 16 2.911 -7.952 -36.008 1.00 0.00 O ATOM 190 CB ALA A 16 4.737 -10.524 -35.642 1.00 0.00 C ATOM 0 H ALA A 16 4.972 -9.883 -38.008 1.00 0.00 H new ATOM 0 HA ALA A 16 2.935 -11.117 -36.630 1.00 0.00 H new ATOM 0 HB1 ALA A 16 4.397 -10.837 -34.655 1.00 0.00 H new ATOM 0 HB2 ALA A 16 5.320 -11.325 -36.096 1.00 0.00 H new ATOM 0 HB3 ALA A 16 5.357 -9.633 -35.546 1.00 0.00 H new ATOM 196 N SER A 17 1.633 -9.592 -35.146 1.00 0.00 N ATOM 197 CA SER A 17 0.719 -8.676 -34.473 1.00 0.00 C ATOM 198 C SER A 17 1.464 -7.813 -33.459 1.00 0.00 C ATOM 199 O SER A 17 1.872 -8.292 -32.402 1.00 0.00 O ATOM 200 CB SER A 17 -0.396 -9.456 -33.775 1.00 0.00 C ATOM 201 OG SER A 17 0.131 -10.326 -32.788 1.00 0.00 O ATOM 0 H SER A 17 1.413 -10.579 -35.015 1.00 0.00 H new ATOM 0 HA SER A 17 0.279 -8.022 -35.226 1.00 0.00 H new ATOM 0 HB2 SER A 17 -1.097 -8.760 -33.314 1.00 0.00 H new ATOM 0 HB3 SER A 17 -0.956 -10.033 -34.511 1.00 0.00 H new ATOM 0 HG SER A 17 0.915 -9.911 -32.371 1.00 0.00 H new ATOM 207 N MET A 18 1.636 -6.537 -33.790 1.00 0.00 N ATOM 208 CA MET A 18 2.330 -5.607 -32.908 1.00 0.00 C ATOM 209 C MET A 18 1.731 -5.637 -31.505 1.00 0.00 C ATOM 210 O MET A 18 0.792 -6.388 -31.236 1.00 0.00 O ATOM 211 CB MET A 18 2.261 -4.187 -33.474 1.00 0.00 C ATOM 212 CG MET A 18 3.406 -3.853 -34.417 1.00 0.00 C ATOM 213 SD MET A 18 3.523 -2.088 -34.769 1.00 0.00 S ATOM 214 CE MET A 18 3.558 -2.102 -36.560 1.00 0.00 C ATOM 0 H MET A 18 1.304 -6.124 -34.662 1.00 0.00 H new ATOM 0 HA MET A 18 3.373 -5.916 -32.845 1.00 0.00 H new ATOM 0 HB2 MET A 18 1.317 -4.061 -34.003 1.00 0.00 H new ATOM 0 HB3 MET A 18 2.261 -3.475 -32.649 1.00 0.00 H new ATOM 0 HG2 MET A 18 4.344 -4.195 -33.979 1.00 0.00 H new ATOM 0 HG3 MET A 18 3.273 -4.398 -35.352 1.00 0.00 H new ATOM 0 HE1 MET A 18 3.629 -1.079 -36.931 1.00 0.00 H new ATOM 0 HE2 MET A 18 4.421 -2.673 -36.903 1.00 0.00 H new ATOM 0 HE3 MET A 18 2.645 -2.562 -36.938 1.00 0.00 H new ATOM 224 N LEU A 19 2.278 -4.817 -30.615 1.00 0.00 N ATOM 225 CA LEU A 19 1.798 -4.750 -29.239 1.00 0.00 C ATOM 226 C LEU A 19 0.396 -4.152 -29.181 1.00 0.00 C ATOM 227 O LEU A 19 0.213 -2.955 -29.401 1.00 0.00 O ATOM 228 CB LEU A 19 2.756 -3.920 -28.383 1.00 0.00 C ATOM 229 CG LEU A 19 2.570 -4.029 -26.870 1.00 0.00 C ATOM 230 CD1 LEU A 19 3.886 -3.777 -26.150 1.00 0.00 C ATOM 231 CD2 LEU A 19 1.504 -3.053 -26.392 1.00 0.00 C ATOM 0 H LEU A 19 3.055 -4.189 -30.821 1.00 0.00 H new ATOM 0 HA LEU A 19 1.757 -5.765 -28.844 1.00 0.00 H new ATOM 0 HB2 LEU A 19 3.777 -4.215 -28.626 1.00 0.00 H new ATOM 0 HB3 LEU A 19 2.651 -2.873 -28.667 1.00 0.00 H new ATOM 0 HG LEU A 19 2.240 -5.041 -26.636 1.00 0.00 H new ATOM 0 HD11 LEU A 19 3.733 -3.859 -25.074 1.00 0.00 H new ATOM 0 HD12 LEU A 19 4.622 -4.514 -26.469 1.00 0.00 H new ATOM 0 HD13 LEU A 19 4.246 -2.777 -26.390 1.00 0.00 H new ATOM 0 HD21 LEU A 19 1.385 -3.144 -25.312 1.00 0.00 H new ATOM 0 HD22 LEU A 19 1.806 -2.035 -26.639 1.00 0.00 H new ATOM 0 HD23 LEU A 19 0.557 -3.280 -26.882 1.00 0.00 H new ATOM 243 N GLN A 20 -0.589 -4.992 -28.880 1.00 0.00 N ATOM 244 CA GLN A 20 -1.974 -4.545 -28.791 1.00 0.00 C ATOM 245 C GLN A 20 -2.520 -4.743 -27.381 1.00 0.00 C ATOM 246 O GLN A 20 -3.064 -5.798 -27.058 1.00 0.00 O ATOM 247 CB GLN A 20 -2.842 -5.302 -29.798 1.00 0.00 C ATOM 248 CG GLN A 20 -4.253 -4.750 -29.920 1.00 0.00 C ATOM 249 CD GLN A 20 -5.146 -5.618 -30.784 1.00 0.00 C ATOM 250 OE1 GLN A 20 -5.371 -5.323 -31.958 1.00 0.00 O ATOM 251 NE2 GLN A 20 -5.661 -6.697 -30.206 1.00 0.00 N ATOM 0 H GLN A 20 -0.454 -5.986 -28.694 1.00 0.00 H new ATOM 0 HA GLN A 20 -2.002 -3.481 -29.026 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -2.362 -5.269 -30.776 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -2.895 -6.350 -29.504 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -4.691 -4.661 -28.926 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -4.211 -3.746 -30.341 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -5.448 -6.904 -29.230 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -6.269 -7.319 -30.738 1.00 0.00 H new ATOM 260 N ALA A 21 -2.370 -3.721 -26.545 1.00 0.00 N ATOM 261 CA ALA A 21 -2.849 -3.782 -25.170 1.00 0.00 C ATOM 262 C ALA A 21 -4.026 -2.836 -24.956 1.00 0.00 C ATOM 263 O ALA A 21 -3.847 -1.623 -24.845 1.00 0.00 O ATOM 264 CB ALA A 21 -1.722 -3.452 -24.203 1.00 0.00 C ATOM 0 H ALA A 21 -1.920 -2.841 -26.796 1.00 0.00 H new ATOM 0 HA ALA A 21 -3.193 -4.798 -24.976 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -2.094 -3.501 -23.180 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -0.912 -4.170 -24.329 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -1.351 -2.447 -24.406 1.00 0.00 H new ATOM 270 N ARG A 22 -5.229 -3.398 -24.900 1.00 0.00 N ATOM 271 CA ARG A 22 -6.435 -2.603 -24.702 1.00 0.00 C ATOM 272 C ARG A 22 -7.347 -3.249 -23.664 1.00 0.00 C ATOM 273 O ARG A 22 -8.195 -4.079 -23.997 1.00 0.00 O ATOM 274 CB ARG A 22 -7.186 -2.439 -26.025 1.00 0.00 C ATOM 275 CG ARG A 22 -6.549 -1.430 -26.966 1.00 0.00 C ATOM 276 CD ARG A 22 -6.805 -1.787 -28.422 1.00 0.00 C ATOM 277 NE ARG A 22 -8.232 -1.871 -28.722 1.00 0.00 N ATOM 278 CZ ARG A 22 -8.722 -2.475 -29.798 1.00 0.00 C ATOM 279 NH1 ARG A 22 -7.905 -3.046 -30.672 1.00 0.00 N ATOM 280 NH2 ARG A 22 -10.033 -2.509 -30.002 1.00 0.00 N ATOM 0 H ARG A 22 -5.394 -4.401 -24.989 1.00 0.00 H new ATOM 0 HA ARG A 22 -6.137 -1.620 -24.337 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -7.239 -3.406 -26.525 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -8.211 -2.131 -25.816 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -6.946 -0.436 -26.759 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -5.475 -1.388 -26.784 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -6.343 -1.038 -29.065 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -6.330 -2.741 -28.650 1.00 0.00 H new ATOM 0 HE ARG A 22 -8.888 -1.442 -28.069 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -6.897 -3.022 -30.519 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -8.285 -3.509 -31.498 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -10.665 -2.071 -29.332 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -10.409 -2.973 -30.829 1.00 0.00 H new ATOM 294 N LEU A 23 -7.167 -2.865 -22.405 1.00 0.00 N ATOM 295 CA LEU A 23 -7.974 -3.407 -21.317 1.00 0.00 C ATOM 296 C LEU A 23 -7.920 -2.497 -20.094 1.00 0.00 C ATOM 297 O LEU A 23 -6.847 -2.219 -19.561 1.00 0.00 O ATOM 298 CB LEU A 23 -7.488 -4.809 -20.945 1.00 0.00 C ATOM 299 CG LEU A 23 -5.993 -4.946 -20.654 1.00 0.00 C ATOM 300 CD1 LEU A 23 -5.743 -6.070 -19.661 1.00 0.00 C ATOM 301 CD2 LEU A 23 -5.219 -5.188 -21.942 1.00 0.00 C ATOM 0 H LEU A 23 -6.470 -2.181 -22.112 1.00 0.00 H new ATOM 0 HA LEU A 23 -9.008 -3.466 -21.658 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -8.041 -5.142 -20.067 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -7.743 -5.488 -21.759 1.00 0.00 H new ATOM 0 HG LEU A 23 -5.642 -4.014 -20.212 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -4.674 -6.152 -19.466 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -6.266 -5.855 -18.729 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -6.110 -7.009 -20.075 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.157 -5.283 -21.716 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -5.573 -6.105 -22.413 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -5.372 -4.349 -22.621 1.00 0.00 H new ATOM 313 N ASN A 24 -9.087 -2.038 -19.653 1.00 0.00 N ATOM 314 CA ASN A 24 -9.173 -1.160 -18.491 1.00 0.00 C ATOM 315 C ASN A 24 -10.037 -1.786 -17.400 1.00 0.00 C ATOM 316 O ASN A 24 -11.251 -1.583 -17.362 1.00 0.00 O ATOM 317 CB ASN A 24 -9.747 0.199 -18.894 1.00 0.00 C ATOM 318 CG ASN A 24 -9.226 1.328 -18.025 1.00 0.00 C ATOM 319 OD1 ASN A 24 -8.345 2.084 -18.433 1.00 0.00 O ATOM 320 ND2 ASN A 24 -9.770 1.445 -16.819 1.00 0.00 N ATOM 0 H ASN A 24 -9.985 -2.259 -20.082 1.00 0.00 H new ATOM 0 HA ASN A 24 -8.166 -1.019 -18.097 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -9.498 0.401 -19.936 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -10.834 0.165 -18.827 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -9.460 2.185 -16.189 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -10.498 0.795 -16.523 1.00 0.00 H new ATOM 327 N ASP A 25 -9.402 -2.546 -16.514 1.00 0.00 N ATOM 328 CA ASP A 25 -10.112 -3.200 -15.420 1.00 0.00 C ATOM 329 C ASP A 25 -9.940 -2.422 -14.119 1.00 0.00 C ATOM 330 O ASP A 25 -9.065 -2.732 -13.312 1.00 0.00 O ATOM 331 CB ASP A 25 -9.609 -4.633 -15.243 1.00 0.00 C ATOM 332 CG ASP A 25 -10.503 -5.452 -14.334 1.00 0.00 C ATOM 333 OD1 ASP A 25 -10.312 -5.391 -13.101 1.00 0.00 O ATOM 334 OD2 ASP A 25 -11.395 -6.154 -14.855 1.00 0.00 O ATOM 0 H ASP A 25 -8.398 -2.724 -16.532 1.00 0.00 H new ATOM 0 HA ASP A 25 -11.173 -3.224 -15.670 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -9.547 -5.116 -16.218 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -8.599 -4.613 -14.833 1.00 0.00 H new ATOM 339 N GLU A 26 -10.780 -1.411 -13.924 1.00 0.00 N ATOM 340 CA GLU A 26 -10.719 -0.588 -12.722 1.00 0.00 C ATOM 341 C GLU A 26 -11.843 -0.952 -11.756 1.00 0.00 C ATOM 342 O GLU A 26 -12.975 -0.493 -11.904 1.00 0.00 O ATOM 343 CB GLU A 26 -10.805 0.895 -13.087 1.00 0.00 C ATOM 344 CG GLU A 26 -9.494 1.476 -13.589 1.00 0.00 C ATOM 345 CD GLU A 26 -8.553 1.853 -12.461 1.00 0.00 C ATOM 346 OE1 GLU A 26 -8.924 2.726 -11.648 1.00 0.00 O ATOM 347 OE2 GLU A 26 -7.447 1.277 -12.392 1.00 0.00 O ATOM 0 H GLU A 26 -11.511 -1.142 -14.583 1.00 0.00 H new ATOM 0 HA GLU A 26 -9.765 -0.778 -12.230 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -11.569 1.028 -13.853 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -11.130 1.457 -12.212 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -9.004 0.750 -14.238 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -9.700 2.358 -14.195 1.00 0.00 H new ATOM 354 N ALA A 27 -11.522 -1.780 -10.768 1.00 0.00 N ATOM 355 CA ALA A 27 -12.503 -2.204 -9.777 1.00 0.00 C ATOM 356 C ALA A 27 -12.394 -1.371 -8.505 1.00 0.00 C ATOM 357 O ALA A 27 -11.486 -0.553 -8.362 1.00 0.00 O ATOM 358 CB ALA A 27 -12.327 -3.682 -9.459 1.00 0.00 C ATOM 0 H ALA A 27 -10.590 -2.171 -10.632 1.00 0.00 H new ATOM 0 HA ALA A 27 -13.497 -2.050 -10.197 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -13.066 -3.985 -8.717 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -12.463 -4.268 -10.368 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -11.326 -3.852 -9.064 1.00 0.00 H new ATOM 364 N GLY A 28 -13.327 -1.583 -7.582 1.00 0.00 N ATOM 365 CA GLY A 28 -13.318 -0.843 -6.333 1.00 0.00 C ATOM 366 C GLY A 28 -14.521 -1.156 -5.465 1.00 0.00 C ATOM 367 O GLY A 28 -15.283 -0.261 -5.103 1.00 0.00 O ATOM 0 H GLY A 28 -14.089 -2.254 -7.677 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -12.406 -1.076 -5.783 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -13.297 0.225 -6.547 1.00 0.00 H new ATOM 371 N GLY A 29 -14.692 -2.432 -5.131 1.00 0.00 N ATOM 372 CA GLY A 29 -15.813 -2.838 -4.304 1.00 0.00 C ATOM 373 C GLY A 29 -15.861 -2.092 -2.986 1.00 0.00 C ATOM 374 O GLY A 29 -16.535 -1.068 -2.866 1.00 0.00 O ATOM 0 H GLY A 29 -14.074 -3.191 -5.418 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -16.742 -2.668 -4.848 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -15.748 -3.909 -4.110 1.00 0.00 H new ATOM 378 N THR A 30 -15.146 -2.607 -1.990 1.00 0.00 N ATOM 379 CA THR A 30 -15.112 -1.985 -0.672 1.00 0.00 C ATOM 380 C THR A 30 -14.184 -0.775 -0.659 1.00 0.00 C ATOM 381 O THR A 30 -13.193 -0.733 -1.389 1.00 0.00 O ATOM 382 CB THR A 30 -14.652 -2.982 0.408 1.00 0.00 C ATOM 383 OG1 THR A 30 -14.760 -2.384 1.704 1.00 0.00 O ATOM 384 CG2 THR A 30 -13.215 -3.420 0.164 1.00 0.00 C ATOM 0 H THR A 30 -14.583 -3.453 -2.071 1.00 0.00 H new ATOM 0 HA THR A 30 -16.129 -1.662 -0.448 1.00 0.00 H new ATOM 0 HB THR A 30 -15.296 -3.860 0.358 1.00 0.00 H new ATOM 0 HG1 THR A 30 -14.467 -3.025 2.385 1.00 0.00 H new ATOM 0 HG21 THR A 30 -12.913 -4.124 0.939 1.00 0.00 H new ATOM 0 HG22 THR A 30 -13.142 -3.901 -0.811 1.00 0.00 H new ATOM 0 HG23 THR A 30 -12.560 -2.549 0.189 1.00 0.00 H new ATOM 392 N ARG A 31 -14.511 0.207 0.175 1.00 0.00 N ATOM 393 CA ARG A 31 -13.707 1.418 0.282 1.00 0.00 C ATOM 394 C ARG A 31 -13.211 1.616 1.711 1.00 0.00 C ATOM 395 O ARG A 31 -13.967 2.036 2.589 1.00 0.00 O ATOM 396 CB ARG A 31 -14.519 2.636 -0.162 1.00 0.00 C ATOM 397 CG ARG A 31 -15.069 2.520 -1.574 1.00 0.00 C ATOM 398 CD ARG A 31 -14.093 3.075 -2.599 1.00 0.00 C ATOM 399 NE ARG A 31 -14.443 2.675 -3.960 1.00 0.00 N ATOM 400 CZ ARG A 31 -13.975 3.279 -5.046 1.00 0.00 C ATOM 401 NH1 ARG A 31 -13.142 4.304 -4.932 1.00 0.00 N ATOM 402 NH2 ARG A 31 -14.339 2.857 -6.250 1.00 0.00 N ATOM 0 H ARG A 31 -15.327 0.187 0.786 1.00 0.00 H new ATOM 0 HA ARG A 31 -12.842 1.309 -0.372 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -15.348 2.782 0.531 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -13.890 3.524 -0.098 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -15.279 1.474 -1.799 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -16.015 3.057 -1.643 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -14.078 4.163 -2.533 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -13.086 2.728 -2.366 1.00 0.00 H new ATOM 0 HE ARG A 31 -15.082 1.889 -4.083 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -12.859 4.631 -4.008 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -12.784 4.766 -5.768 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -14.979 2.068 -6.342 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -13.979 3.322 -7.084 1.00 0.00 H new ATOM 416 N LEU A 32 -11.938 1.312 1.938 1.00 0.00 N ATOM 417 CA LEU A 32 -11.341 1.457 3.261 1.00 0.00 C ATOM 418 C LEU A 32 -10.640 2.805 3.398 1.00 0.00 C ATOM 419 O LEU A 32 -10.472 3.531 2.418 1.00 0.00 O ATOM 420 CB LEU A 32 -10.347 0.323 3.520 1.00 0.00 C ATOM 421 CG LEU A 32 -10.942 -1.081 3.622 1.00 0.00 C ATOM 422 CD1 LEU A 32 -9.851 -2.134 3.496 1.00 0.00 C ATOM 423 CD2 LEU A 32 -11.697 -1.247 4.932 1.00 0.00 C ATOM 0 H LEU A 32 -11.299 0.964 1.223 1.00 0.00 H new ATOM 0 HA LEU A 32 -12.140 1.408 4.001 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -9.608 0.325 2.719 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -9.814 0.538 4.446 1.00 0.00 H new ATOM 0 HG LEU A 32 -11.646 -1.217 2.801 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -10.294 -3.127 3.571 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -9.355 -2.030 2.531 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -9.122 -2.000 4.295 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -12.114 -2.253 4.987 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -11.015 -1.091 5.768 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -12.505 -0.517 4.982 1.00 0.00 H new ATOM 435 N LEU A 33 -10.231 3.131 4.619 1.00 0.00 N ATOM 436 CA LEU A 33 -9.546 4.392 4.884 1.00 0.00 C ATOM 437 C LEU A 33 -8.051 4.166 5.089 1.00 0.00 C ATOM 438 O LEU A 33 -7.596 3.932 6.209 1.00 0.00 O ATOM 439 CB LEU A 33 -10.144 5.071 6.117 1.00 0.00 C ATOM 440 CG LEU A 33 -11.358 5.967 5.867 1.00 0.00 C ATOM 441 CD1 LEU A 33 -12.626 5.133 5.774 1.00 0.00 C ATOM 442 CD2 LEU A 33 -11.484 7.012 6.966 1.00 0.00 C ATOM 0 H LEU A 33 -10.361 2.541 5.441 1.00 0.00 H new ATOM 0 HA LEU A 33 -9.682 5.040 4.018 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -10.429 4.298 6.831 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -9.366 5.670 6.590 1.00 0.00 H new ATOM 0 HG LEU A 33 -11.216 6.483 4.917 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -13.480 5.787 5.596 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -12.535 4.423 4.952 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -12.774 4.590 6.708 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -12.353 7.641 6.772 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -11.603 6.515 7.929 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -10.586 7.630 6.985 1.00 0.00 H new ATOM 454 N ARG A 34 -7.292 4.239 4.001 1.00 0.00 N ATOM 455 CA ARG A 34 -5.849 4.044 4.061 1.00 0.00 C ATOM 456 C ARG A 34 -5.139 4.903 3.019 1.00 0.00 C ATOM 457 O ARG A 34 -5.521 4.920 1.848 1.00 0.00 O ATOM 458 CB ARG A 34 -5.502 2.570 3.843 1.00 0.00 C ATOM 459 CG ARG A 34 -5.826 1.686 5.036 1.00 0.00 C ATOM 460 CD ARG A 34 -5.125 0.340 4.939 1.00 0.00 C ATOM 461 NE ARG A 34 -5.353 -0.483 6.124 1.00 0.00 N ATOM 462 CZ ARG A 34 -4.802 -1.678 6.305 1.00 0.00 C ATOM 463 NH1 ARG A 34 -3.995 -2.187 5.385 1.00 0.00 N ATOM 464 NH2 ARG A 34 -5.058 -2.367 7.410 1.00 0.00 N ATOM 0 H ARG A 34 -7.653 4.432 3.067 1.00 0.00 H new ATOM 0 HA ARG A 34 -5.509 4.349 5.051 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -6.044 2.203 2.971 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -4.439 2.485 3.616 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -5.525 2.189 5.955 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -6.904 1.533 5.095 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -5.480 -0.191 4.055 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -4.054 0.498 4.808 1.00 0.00 H new ATOM 0 HE ARG A 34 -5.969 -0.120 6.852 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -3.795 -1.661 4.534 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -3.574 -3.105 5.528 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -5.678 -1.979 8.121 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -4.635 -3.285 7.548 1.00 0.00 H new ATOM 478 N VAL A 35 -4.105 5.617 3.452 1.00 0.00 N ATOM 479 CA VAL A 35 -3.342 6.479 2.557 1.00 0.00 C ATOM 480 C VAL A 35 -2.026 5.824 2.153 1.00 0.00 C ATOM 481 O VAL A 35 -1.090 5.743 2.950 1.00 0.00 O ATOM 482 CB VAL A 35 -3.045 7.843 3.208 1.00 0.00 C ATOM 483 CG1 VAL A 35 -4.338 8.595 3.486 1.00 0.00 C ATOM 484 CG2 VAL A 35 -2.241 7.659 4.486 1.00 0.00 C ATOM 0 H VAL A 35 -3.776 5.616 4.418 1.00 0.00 H new ATOM 0 HA VAL A 35 -3.955 6.635 1.669 1.00 0.00 H new ATOM 0 HB VAL A 35 -2.450 8.436 2.513 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -4.108 9.556 3.946 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -4.872 8.759 2.550 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -4.961 8.009 4.162 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -2.040 8.633 4.933 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -2.808 7.048 5.188 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -1.298 7.164 4.254 1.00 0.00 H new ATOM 494 N HIS A 36 -1.960 5.357 0.910 1.00 0.00 N ATOM 495 CA HIS A 36 -0.757 4.709 0.400 1.00 0.00 C ATOM 496 C HIS A 36 0.049 5.669 -0.471 1.00 0.00 C ATOM 497 O HIS A 36 0.563 5.286 -1.522 1.00 0.00 O ATOM 498 CB HIS A 36 -1.126 3.461 -0.403 1.00 0.00 C ATOM 499 CG HIS A 36 -2.035 2.524 0.331 1.00 0.00 C ATOM 500 ND1 HIS A 36 -1.628 1.774 1.414 1.00 0.00 N ATOM 501 CD2 HIS A 36 -3.339 2.219 0.133 1.00 0.00 C ATOM 502 CE1 HIS A 36 -2.641 1.047 1.849 1.00 0.00 C ATOM 503 NE2 HIS A 36 -3.692 1.298 1.089 1.00 0.00 N ATOM 0 H HIS A 36 -2.725 5.415 0.238 1.00 0.00 H new ATOM 0 HA HIS A 36 -0.143 4.416 1.251 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -1.606 3.766 -1.333 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -0.213 2.931 -0.675 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -3.982 2.624 -0.634 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -2.615 0.363 2.684 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -4.615 0.877 1.195 1.00 0.00 H new ATOM 512 N HIS A 37 0.154 6.917 -0.026 1.00 0.00 N ATOM 513 CA HIS A 37 0.897 7.931 -0.765 1.00 0.00 C ATOM 514 C HIS A 37 2.304 8.094 -0.198 1.00 0.00 C ATOM 515 O HIS A 37 2.478 8.320 0.999 1.00 0.00 O ATOM 516 CB HIS A 37 0.158 9.269 -0.720 1.00 0.00 C ATOM 517 CG HIS A 37 0.462 10.080 0.502 1.00 0.00 C ATOM 518 ND1 HIS A 37 -0.380 10.144 1.592 1.00 0.00 N ATOM 519 CD2 HIS A 37 1.525 10.863 0.803 1.00 0.00 C ATOM 520 CE1 HIS A 37 0.151 10.932 2.510 1.00 0.00 C ATOM 521 NE2 HIS A 37 1.307 11.381 2.056 1.00 0.00 N ATOM 0 H HIS A 37 -0.266 7.250 0.842 1.00 0.00 H new ATOM 0 HA HIS A 37 0.978 7.604 -1.802 1.00 0.00 H new ATOM 0 HB2 HIS A 37 0.419 9.849 -1.605 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -0.915 9.084 -0.765 1.00 0.00 H new ATOM 0 HD2 HIS A 37 2.384 11.046 0.175 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -0.286 11.169 3.469 1.00 0.00 H new ATOM 0 HE2 HIS A 37 1.936 12.010 2.555 1.00 0.00 H new ATOM 530 N GLU A 38 3.304 7.978 -1.067 1.00 0.00 N ATOM 531 CA GLU A 38 4.695 8.111 -0.651 1.00 0.00 C ATOM 532 C GLU A 38 5.069 7.025 0.353 1.00 0.00 C ATOM 533 O GLU A 38 5.622 7.310 1.415 1.00 0.00 O ATOM 534 CB GLU A 38 4.938 9.492 -0.039 1.00 0.00 C ATOM 535 CG GLU A 38 6.408 9.864 0.060 1.00 0.00 C ATOM 536 CD GLU A 38 6.970 10.377 -1.252 1.00 0.00 C ATOM 537 OE1 GLU A 38 6.357 10.106 -2.306 1.00 0.00 O ATOM 538 OE2 GLU A 38 8.022 11.048 -1.224 1.00 0.00 O ATOM 0 H GLU A 38 3.177 7.792 -2.062 1.00 0.00 H new ATOM 0 HA GLU A 38 5.324 7.997 -1.534 1.00 0.00 H new ATOM 0 HB2 GLU A 38 4.422 10.242 -0.639 1.00 0.00 H new ATOM 0 HB3 GLU A 38 4.497 9.521 0.957 1.00 0.00 H new ATOM 0 HG2 GLU A 38 6.535 10.627 0.828 1.00 0.00 H new ATOM 0 HG3 GLU A 38 6.979 8.992 0.379 1.00 0.00 H new ATOM 545 N SER A 39 4.762 5.778 0.009 1.00 0.00 N ATOM 546 CA SER A 39 5.062 4.649 0.882 1.00 0.00 C ATOM 547 C SER A 39 6.255 3.857 0.355 1.00 0.00 C ATOM 548 O SER A 39 6.581 3.919 -0.830 1.00 0.00 O ATOM 549 CB SER A 39 3.842 3.734 1.004 1.00 0.00 C ATOM 550 OG SER A 39 3.677 2.946 -0.162 1.00 0.00 O ATOM 0 H SER A 39 4.306 5.524 -0.867 1.00 0.00 H new ATOM 0 HA SER A 39 5.314 5.040 1.868 1.00 0.00 H new ATOM 0 HB2 SER A 39 3.956 3.085 1.872 1.00 0.00 H new ATOM 0 HB3 SER A 39 2.948 4.335 1.170 1.00 0.00 H new ATOM 0 HG SER A 39 2.892 2.369 -0.058 1.00 0.00 H new ATOM 556 N ASP A 40 6.902 3.113 1.245 1.00 0.00 N ATOM 557 CA ASP A 40 8.059 2.307 0.872 1.00 0.00 C ATOM 558 C ASP A 40 9.148 3.176 0.251 1.00 0.00 C ATOM 559 O ASP A 40 9.793 2.782 -0.722 1.00 0.00 O ATOM 560 CB ASP A 40 7.646 1.207 -0.107 1.00 0.00 C ATOM 561 CG ASP A 40 8.555 -0.004 -0.033 1.00 0.00 C ATOM 562 OD1 ASP A 40 8.895 -0.424 1.093 1.00 0.00 O ATOM 563 OD2 ASP A 40 8.927 -0.532 -1.102 1.00 0.00 O ATOM 0 H ASP A 40 6.645 3.051 2.230 1.00 0.00 H new ATOM 0 HA ASP A 40 8.458 1.847 1.776 1.00 0.00 H new ATOM 0 HB2 ASP A 40 6.621 0.902 0.105 1.00 0.00 H new ATOM 0 HB3 ASP A 40 7.657 1.605 -1.122 1.00 0.00 H new ATOM 568 N THR A 41 9.348 4.361 0.818 1.00 0.00 N ATOM 569 CA THR A 41 10.357 5.287 0.318 1.00 0.00 C ATOM 570 C THR A 41 11.401 5.591 1.387 1.00 0.00 C ATOM 571 O THR A 41 11.117 6.281 2.366 1.00 0.00 O ATOM 572 CB THR A 41 9.723 6.608 -0.154 1.00 0.00 C ATOM 573 OG1 THR A 41 8.655 6.339 -1.069 1.00 0.00 O ATOM 574 CG2 THR A 41 10.760 7.497 -0.825 1.00 0.00 C ATOM 0 H THR A 41 8.825 4.703 1.624 1.00 0.00 H new ATOM 0 HA THR A 41 10.839 4.801 -0.530 1.00 0.00 H new ATOM 0 HB THR A 41 9.331 7.129 0.719 1.00 0.00 H new ATOM 0 HG1 THR A 41 8.256 7.184 -1.363 1.00 0.00 H new ATOM 0 HG21 THR A 41 10.289 8.424 -1.150 1.00 0.00 H new ATOM 0 HG22 THR A 41 11.557 7.724 -0.117 1.00 0.00 H new ATOM 0 HG23 THR A 41 11.178 6.980 -1.689 1.00 0.00 H new ATOM 582 N GLU A 42 12.610 5.073 1.192 1.00 0.00 N ATOM 583 CA GLU A 42 13.695 5.291 2.141 1.00 0.00 C ATOM 584 C GLU A 42 14.121 6.756 2.154 1.00 0.00 C ATOM 585 O GLU A 42 14.080 7.434 1.128 1.00 0.00 O ATOM 586 CB GLU A 42 14.892 4.403 1.792 1.00 0.00 C ATOM 587 CG GLU A 42 15.457 4.661 0.405 1.00 0.00 C ATOM 588 CD GLU A 42 14.686 3.937 -0.682 1.00 0.00 C ATOM 589 OE1 GLU A 42 14.417 2.729 -0.514 1.00 0.00 O ATOM 590 OE2 GLU A 42 14.352 4.578 -1.700 1.00 0.00 O ATOM 0 H GLU A 42 12.862 4.500 0.386 1.00 0.00 H new ATOM 0 HA GLU A 42 13.333 5.028 3.135 1.00 0.00 H new ATOM 0 HB2 GLU A 42 15.678 4.560 2.530 1.00 0.00 H new ATOM 0 HB3 GLU A 42 14.592 3.358 1.864 1.00 0.00 H new ATOM 0 HG2 GLU A 42 15.442 5.732 0.204 1.00 0.00 H new ATOM 0 HG3 GLU A 42 16.500 4.346 0.377 1.00 0.00 H new ATOM 597 N GLU A 43 14.529 7.237 3.324 1.00 0.00 N ATOM 598 CA GLU A 43 14.961 8.622 3.471 1.00 0.00 C ATOM 599 C GLU A 43 15.804 9.059 2.276 1.00 0.00 C ATOM 600 O GLU A 43 15.589 10.131 1.711 1.00 0.00 O ATOM 601 CB GLU A 43 15.761 8.796 4.764 1.00 0.00 C ATOM 602 CG GLU A 43 14.907 8.748 6.019 1.00 0.00 C ATOM 603 CD GLU A 43 15.664 9.188 7.257 1.00 0.00 C ATOM 604 OE1 GLU A 43 16.078 10.365 7.311 1.00 0.00 O ATOM 605 OE2 GLU A 43 15.843 8.357 8.171 1.00 0.00 O ATOM 0 H GLU A 43 14.569 6.689 4.183 1.00 0.00 H new ATOM 0 HA GLU A 43 14.071 9.250 3.515 1.00 0.00 H new ATOM 0 HB2 GLU A 43 16.519 8.015 4.820 1.00 0.00 H new ATOM 0 HB3 GLU A 43 16.288 9.749 4.730 1.00 0.00 H new ATOM 0 HG2 GLU A 43 14.034 9.387 5.885 1.00 0.00 H new ATOM 0 HG3 GLU A 43 14.539 7.733 6.165 1.00 0.00 H new ATOM 612 N ARG A 44 16.763 8.221 1.898 1.00 0.00 N ATOM 613 CA ARG A 44 17.639 8.520 0.772 1.00 0.00 C ATOM 614 C ARG A 44 16.869 9.217 -0.346 1.00 0.00 C ATOM 615 O ARG A 44 17.282 10.267 -0.838 1.00 0.00 O ATOM 616 CB ARG A 44 18.279 7.237 0.240 1.00 0.00 C ATOM 617 CG ARG A 44 19.519 6.811 1.010 1.00 0.00 C ATOM 618 CD ARG A 44 20.708 7.702 0.687 1.00 0.00 C ATOM 619 NE ARG A 44 21.165 7.528 -0.689 1.00 0.00 N ATOM 620 CZ ARG A 44 21.793 6.440 -1.123 1.00 0.00 C ATOM 621 NH1 ARG A 44 22.036 5.436 -0.293 1.00 0.00 N ATOM 622 NH2 ARG A 44 22.177 6.356 -2.390 1.00 0.00 N ATOM 0 H ARG A 44 16.953 7.329 2.355 1.00 0.00 H new ATOM 0 HA ARG A 44 18.423 9.190 1.124 1.00 0.00 H new ATOM 0 HB2 ARG A 44 17.545 6.432 0.276 1.00 0.00 H new ATOM 0 HB3 ARG A 44 18.543 7.380 -0.808 1.00 0.00 H new ATOM 0 HG2 ARG A 44 19.315 6.848 2.080 1.00 0.00 H new ATOM 0 HG3 ARG A 44 19.762 5.776 0.768 1.00 0.00 H new ATOM 0 HD2 ARG A 44 20.434 8.745 0.849 1.00 0.00 H new ATOM 0 HD3 ARG A 44 21.526 7.477 1.372 1.00 0.00 H new ATOM 0 HE ARG A 44 20.993 8.283 -1.353 1.00 0.00 H new ATOM 0 HH11 ARG A 44 21.741 5.497 0.681 1.00 0.00 H new ATOM 0 HH12 ARG A 44 22.518 4.602 -0.629 1.00 0.00 H new ATOM 0 HH21 ARG A 44 21.990 7.127 -3.032 1.00 0.00 H new ATOM 0 HH22 ARG A 44 22.659 5.521 -2.723 1.00 0.00 H new ATOM 636 N GLY A 45 15.746 8.625 -0.743 1.00 0.00 N ATOM 637 CA GLY A 45 14.937 9.203 -1.800 1.00 0.00 C ATOM 638 C GLY A 45 13.881 10.152 -1.269 1.00 0.00 C ATOM 639 O GLY A 45 13.728 11.265 -1.772 1.00 0.00 O ATOM 0 H GLY A 45 15.383 7.756 -0.351 1.00 0.00 H new ATOM 0 HA2 GLY A 45 15.583 9.737 -2.497 1.00 0.00 H new ATOM 0 HA3 GLY A 45 14.453 8.404 -2.362 1.00 0.00 H new ATOM 643 N PHE A 46 13.150 9.711 -0.250 1.00 0.00 N ATOM 644 CA PHE A 46 12.101 10.529 0.348 1.00 0.00 C ATOM 645 C PHE A 46 12.576 11.966 0.542 1.00 0.00 C ATOM 646 O PHE A 46 12.088 12.887 -0.115 1.00 0.00 O ATOM 647 CB PHE A 46 11.667 9.938 1.691 1.00 0.00 C ATOM 648 CG PHE A 46 11.119 10.958 2.646 1.00 0.00 C ATOM 649 CD1 PHE A 46 9.812 11.403 2.531 1.00 0.00 C ATOM 650 CD2 PHE A 46 11.911 11.474 3.659 1.00 0.00 C ATOM 651 CE1 PHE A 46 9.304 12.342 3.409 1.00 0.00 C ATOM 652 CE2 PHE A 46 11.409 12.413 4.540 1.00 0.00 C ATOM 653 CZ PHE A 46 10.104 12.848 4.414 1.00 0.00 C ATOM 0 H PHE A 46 13.265 8.792 0.178 1.00 0.00 H new ATOM 0 HA PHE A 46 11.248 10.535 -0.331 1.00 0.00 H new ATOM 0 HB2 PHE A 46 10.910 9.174 1.515 1.00 0.00 H new ATOM 0 HB3 PHE A 46 12.520 9.441 2.153 1.00 0.00 H new ATOM 0 HD1 PHE A 46 9.182 11.011 1.746 1.00 0.00 H new ATOM 0 HD2 PHE A 46 12.932 11.139 3.761 1.00 0.00 H new ATOM 0 HE1 PHE A 46 8.283 12.679 3.309 1.00 0.00 H new ATOM 0 HE2 PHE A 46 12.036 12.806 5.326 1.00 0.00 H new ATOM 0 HZ PHE A 46 9.710 13.583 5.101 1.00 0.00 H new ATOM 663 N LEU A 47 13.530 12.150 1.448 1.00 0.00 N ATOM 664 CA LEU A 47 14.071 13.475 1.731 1.00 0.00 C ATOM 665 C LEU A 47 14.508 14.170 0.445 1.00 0.00 C ATOM 666 O LEU A 47 13.982 15.223 0.088 1.00 0.00 O ATOM 667 CB LEU A 47 15.254 13.369 2.694 1.00 0.00 C ATOM 668 CG LEU A 47 14.908 13.358 4.184 1.00 0.00 C ATOM 669 CD1 LEU A 47 16.062 12.791 4.996 1.00 0.00 C ATOM 670 CD2 LEU A 47 14.556 14.760 4.660 1.00 0.00 C ATOM 0 H LEU A 47 13.945 11.399 1.999 1.00 0.00 H new ATOM 0 HA LEU A 47 13.285 14.070 2.195 1.00 0.00 H new ATOM 0 HB2 LEU A 47 15.804 12.457 2.463 1.00 0.00 H new ATOM 0 HB3 LEU A 47 15.927 14.205 2.504 1.00 0.00 H new ATOM 0 HG LEU A 47 14.039 12.717 4.331 1.00 0.00 H new ATOM 0 HD11 LEU A 47 15.797 12.791 6.053 1.00 0.00 H new ATOM 0 HD12 LEU A 47 16.267 11.770 4.673 1.00 0.00 H new ATOM 0 HD13 LEU A 47 16.950 13.405 4.844 1.00 0.00 H new ATOM 0 HD21 LEU A 47 14.313 14.733 5.722 1.00 0.00 H new ATOM 0 HD22 LEU A 47 15.406 15.423 4.499 1.00 0.00 H new ATOM 0 HD23 LEU A 47 13.697 15.129 4.100 1.00 0.00 H new ATOM 682 N GLU A 48 15.473 13.571 -0.247 1.00 0.00 N ATOM 683 CA GLU A 48 15.979 14.133 -1.494 1.00 0.00 C ATOM 684 C GLU A 48 14.851 14.769 -2.301 1.00 0.00 C ATOM 685 O GLU A 48 14.896 15.956 -2.623 1.00 0.00 O ATOM 686 CB GLU A 48 16.668 13.048 -2.325 1.00 0.00 C ATOM 687 CG GLU A 48 17.736 13.586 -3.262 1.00 0.00 C ATOM 688 CD GLU A 48 17.156 14.393 -4.407 1.00 0.00 C ATOM 689 OE1 GLU A 48 16.054 14.045 -4.881 1.00 0.00 O ATOM 690 OE2 GLU A 48 17.803 15.374 -4.828 1.00 0.00 O ATOM 0 H GLU A 48 15.919 12.698 0.035 1.00 0.00 H new ATOM 0 HA GLU A 48 16.706 14.907 -1.246 1.00 0.00 H new ATOM 0 HB2 GLU A 48 17.120 12.319 -1.652 1.00 0.00 H new ATOM 0 HB3 GLU A 48 15.916 12.518 -2.910 1.00 0.00 H new ATOM 0 HG2 GLU A 48 18.429 14.210 -2.697 1.00 0.00 H new ATOM 0 HG3 GLU A 48 18.313 12.754 -3.665 1.00 0.00 H new ATOM 697 N LYS A 49 13.841 13.970 -2.626 1.00 0.00 N ATOM 698 CA LYS A 49 12.700 14.452 -3.396 1.00 0.00 C ATOM 699 C LYS A 49 12.163 15.756 -2.813 1.00 0.00 C ATOM 700 O LYS A 49 11.797 16.671 -3.549 1.00 0.00 O ATOM 701 CB LYS A 49 11.592 13.397 -3.420 1.00 0.00 C ATOM 702 CG LYS A 49 10.553 13.630 -4.503 1.00 0.00 C ATOM 703 CD LYS A 49 9.646 12.424 -4.675 1.00 0.00 C ATOM 704 CE LYS A 49 8.720 12.589 -5.870 1.00 0.00 C ATOM 705 NZ LYS A 49 7.460 13.293 -5.502 1.00 0.00 N ATOM 0 H LYS A 49 13.789 12.985 -2.368 1.00 0.00 H new ATOM 0 HA LYS A 49 13.035 14.641 -4.416 1.00 0.00 H new ATOM 0 HB2 LYS A 49 12.041 12.414 -3.564 1.00 0.00 H new ATOM 0 HB3 LYS A 49 11.096 13.381 -2.450 1.00 0.00 H new ATOM 0 HG2 LYS A 49 9.953 14.504 -4.251 1.00 0.00 H new ATOM 0 HG3 LYS A 49 11.053 13.848 -5.447 1.00 0.00 H new ATOM 0 HD2 LYS A 49 10.252 11.527 -4.804 1.00 0.00 H new ATOM 0 HD3 LYS A 49 9.054 12.281 -3.771 1.00 0.00 H new ATOM 0 HE2 LYS A 49 9.233 13.148 -6.653 1.00 0.00 H new ATOM 0 HE3 LYS A 49 8.481 11.609 -6.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 6.856 13.386 -6.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 6.957 12.747 -4.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 7.686 14.238 -5.132 1.00 0.00 H new ATOM 719 N ALA A 50 12.120 15.832 -1.487 1.00 0.00 N ATOM 720 CA ALA A 50 11.632 17.025 -0.806 1.00 0.00 C ATOM 721 C ALA A 50 12.440 18.255 -1.206 1.00 0.00 C ATOM 722 O ALA A 50 11.887 19.241 -1.692 1.00 0.00 O ATOM 723 CB ALA A 50 11.678 16.828 0.702 1.00 0.00 C ATOM 0 H ALA A 50 12.417 15.082 -0.863 1.00 0.00 H new ATOM 0 HA ALA A 50 10.598 17.188 -1.109 1.00 0.00 H new ATOM 0 HB1 ALA A 50 11.311 17.727 1.198 1.00 0.00 H new ATOM 0 HB2 ALA A 50 11.051 15.980 0.977 1.00 0.00 H new ATOM 0 HB3 ALA A 50 12.705 16.636 1.013 1.00 0.00 H new ATOM 729 N ALA A 51 13.750 18.190 -0.997 1.00 0.00 N ATOM 730 CA ALA A 51 14.634 19.298 -1.337 1.00 0.00 C ATOM 731 C ALA A 51 14.429 19.741 -2.782 1.00 0.00 C ATOM 732 O ALA A 51 14.068 20.889 -3.044 1.00 0.00 O ATOM 733 CB ALA A 51 16.086 18.906 -1.105 1.00 0.00 C ATOM 0 H ALA A 51 14.223 17.381 -0.594 1.00 0.00 H new ATOM 0 HA ALA A 51 14.388 20.138 -0.688 1.00 0.00 H new ATOM 0 HB1 ALA A 51 16.735 19.743 -1.363 1.00 0.00 H new ATOM 0 HB2 ALA A 51 16.229 18.646 -0.056 1.00 0.00 H new ATOM 0 HB3 ALA A 51 16.335 18.048 -1.729 1.00 0.00 H new ATOM 739 N VAL A 52 14.661 18.824 -3.716 1.00 0.00 N ATOM 740 CA VAL A 52 14.500 19.120 -5.134 1.00 0.00 C ATOM 741 C VAL A 52 13.163 19.799 -5.406 1.00 0.00 C ATOM 742 O VAL A 52 13.113 20.906 -5.944 1.00 0.00 O ATOM 743 CB VAL A 52 14.598 17.843 -5.989 1.00 0.00 C ATOM 744 CG1 VAL A 52 14.463 18.177 -7.467 1.00 0.00 C ATOM 745 CG2 VAL A 52 15.908 17.118 -5.715 1.00 0.00 C ATOM 0 H VAL A 52 14.961 17.870 -3.516 1.00 0.00 H new ATOM 0 HA VAL A 52 15.310 19.796 -5.409 1.00 0.00 H new ATOM 0 HB VAL A 52 13.777 17.180 -5.715 1.00 0.00 H new ATOM 0 HG11 VAL A 52 14.535 17.262 -8.055 1.00 0.00 H new ATOM 0 HG12 VAL A 52 13.497 18.649 -7.647 1.00 0.00 H new ATOM 0 HG13 VAL A 52 15.260 18.860 -7.760 1.00 0.00 H new ATOM 0 HG21 VAL A 52 15.961 16.218 -6.328 1.00 0.00 H new ATOM 0 HG22 VAL A 52 16.744 17.773 -5.960 1.00 0.00 H new ATOM 0 HG23 VAL A 52 15.958 16.843 -4.661 1.00 0.00 H new ATOM 755 N LYS A 53 12.078 19.130 -5.031 1.00 0.00 N ATOM 756 CA LYS A 53 10.738 19.668 -5.232 1.00 0.00 C ATOM 757 C LYS A 53 10.627 21.078 -4.661 1.00 0.00 C ATOM 758 O LYS A 53 10.134 21.990 -5.325 1.00 0.00 O ATOM 759 CB LYS A 53 9.697 18.757 -4.577 1.00 0.00 C ATOM 760 CG LYS A 53 9.307 17.565 -5.433 1.00 0.00 C ATOM 761 CD LYS A 53 8.499 17.991 -6.647 1.00 0.00 C ATOM 762 CE LYS A 53 7.008 18.003 -6.348 1.00 0.00 C ATOM 763 NZ LYS A 53 6.483 16.634 -6.087 1.00 0.00 N ATOM 0 H LYS A 53 12.101 18.213 -4.585 1.00 0.00 H new ATOM 0 HA LYS A 53 10.548 19.713 -6.304 1.00 0.00 H new ATOM 0 HB2 LYS A 53 10.089 18.398 -3.625 1.00 0.00 H new ATOM 0 HB3 LYS A 53 8.804 19.341 -4.354 1.00 0.00 H new ATOM 0 HG2 LYS A 53 10.205 17.040 -5.759 1.00 0.00 H new ATOM 0 HG3 LYS A 53 8.726 16.862 -4.836 1.00 0.00 H new ATOM 0 HD2 LYS A 53 8.815 18.984 -6.966 1.00 0.00 H new ATOM 0 HD3 LYS A 53 8.700 17.312 -7.475 1.00 0.00 H new ATOM 0 HE2 LYS A 53 6.817 18.636 -5.482 1.00 0.00 H new ATOM 0 HE3 LYS A 53 6.473 18.443 -7.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 5.460 16.614 -6.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 6.961 15.954 -6.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 6.661 16.377 -5.095 1.00 0.00 H new ATOM 777 N LYS A 54 11.089 21.250 -3.427 1.00 0.00 N ATOM 778 CA LYS A 54 11.045 22.549 -2.767 1.00 0.00 C ATOM 779 C LYS A 54 11.672 23.627 -3.645 1.00 0.00 C ATOM 780 O LYS A 54 11.061 24.663 -3.905 1.00 0.00 O ATOM 781 CB LYS A 54 11.770 22.486 -1.421 1.00 0.00 C ATOM 782 CG LYS A 54 10.867 22.105 -0.261 1.00 0.00 C ATOM 783 CD LYS A 54 10.252 23.331 0.393 1.00 0.00 C ATOM 784 CE LYS A 54 8.923 23.697 -0.250 1.00 0.00 C ATOM 785 NZ LYS A 54 7.966 22.557 -0.233 1.00 0.00 N ATOM 0 H LYS A 54 11.499 20.505 -2.864 1.00 0.00 H new ATOM 0 HA LYS A 54 10.000 22.807 -2.597 1.00 0.00 H new ATOM 0 HB2 LYS A 54 12.584 21.764 -1.490 1.00 0.00 H new ATOM 0 HB3 LYS A 54 12.222 23.456 -1.215 1.00 0.00 H new ATOM 0 HG2 LYS A 54 10.075 21.445 -0.616 1.00 0.00 H new ATOM 0 HG3 LYS A 54 11.440 21.546 0.479 1.00 0.00 H new ATOM 0 HD2 LYS A 54 10.103 23.142 1.456 1.00 0.00 H new ATOM 0 HD3 LYS A 54 10.941 24.172 0.312 1.00 0.00 H new ATOM 0 HE2 LYS A 54 8.486 24.546 0.277 1.00 0.00 H new ATOM 0 HE3 LYS A 54 9.092 24.014 -1.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 6.992 22.922 -0.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 8.105 21.974 -1.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 8.131 21.978 0.615 1.00 0.00 H new ATOM 799 N MET A 55 12.895 23.375 -4.100 1.00 0.00 N ATOM 800 CA MET A 55 13.604 24.324 -4.952 1.00 0.00 C ATOM 801 C MET A 55 12.773 24.677 -6.181 1.00 0.00 C ATOM 802 O MET A 55 12.724 25.834 -6.597 1.00 0.00 O ATOM 803 CB MET A 55 14.954 23.746 -5.382 1.00 0.00 C ATOM 804 CG MET A 55 15.865 23.399 -4.216 1.00 0.00 C ATOM 805 SD MET A 55 16.918 24.777 -3.723 1.00 0.00 S ATOM 806 CE MET A 55 18.478 24.291 -4.456 1.00 0.00 C ATOM 0 H MET A 55 13.416 22.523 -3.893 1.00 0.00 H new ATOM 0 HA MET A 55 13.774 25.234 -4.377 1.00 0.00 H new ATOM 0 HB2 MET A 55 14.783 22.850 -5.978 1.00 0.00 H new ATOM 0 HB3 MET A 55 15.460 24.466 -6.026 1.00 0.00 H new ATOM 0 HG2 MET A 55 15.258 23.088 -3.366 1.00 0.00 H new ATOM 0 HG3 MET A 55 16.490 22.549 -4.489 1.00 0.00 H new ATOM 0 HE1 MET A 55 19.258 24.307 -3.695 1.00 0.00 H new ATOM 0 HE2 MET A 55 18.390 23.284 -4.864 1.00 0.00 H new ATOM 0 HE3 MET A 55 18.736 24.986 -5.255 1.00 0.00 H new ATOM 816 N ALA A 56 12.123 23.672 -6.758 1.00 0.00 N ATOM 817 CA ALA A 56 11.293 23.877 -7.939 1.00 0.00 C ATOM 818 C ALA A 56 10.266 24.980 -7.704 1.00 0.00 C ATOM 819 O ALA A 56 10.320 26.037 -8.334 1.00 0.00 O ATOM 820 CB ALA A 56 10.598 22.581 -8.328 1.00 0.00 C ATOM 0 H ALA A 56 12.155 22.708 -6.427 1.00 0.00 H new ATOM 0 HA ALA A 56 11.941 24.188 -8.758 1.00 0.00 H new ATOM 0 HB1 ALA A 56 9.982 22.749 -9.211 1.00 0.00 H new ATOM 0 HB2 ALA A 56 11.346 21.819 -8.547 1.00 0.00 H new ATOM 0 HB3 ALA A 56 9.968 22.245 -7.505 1.00 0.00 H new ATOM 826 N LYS A 57 9.332 24.727 -6.794 1.00 0.00 N ATOM 827 CA LYS A 57 8.292 25.698 -6.475 1.00 0.00 C ATOM 828 C LYS A 57 8.834 27.122 -6.556 1.00 0.00 C ATOM 829 O LYS A 57 8.364 27.930 -7.356 1.00 0.00 O ATOM 830 CB LYS A 57 7.731 25.434 -5.076 1.00 0.00 C ATOM 831 CG LYS A 57 7.036 24.090 -4.943 1.00 0.00 C ATOM 832 CD LYS A 57 7.145 23.542 -3.530 1.00 0.00 C ATOM 833 CE LYS A 57 6.329 22.271 -3.360 1.00 0.00 C ATOM 834 NZ LYS A 57 7.126 21.053 -3.678 1.00 0.00 N ATOM 0 H LYS A 57 9.274 23.857 -6.264 1.00 0.00 H new ATOM 0 HA LYS A 57 7.492 25.590 -7.207 1.00 0.00 H new ATOM 0 HB2 LYS A 57 8.544 25.486 -4.352 1.00 0.00 H new ATOM 0 HB3 LYS A 57 7.026 26.225 -4.821 1.00 0.00 H new ATOM 0 HG2 LYS A 57 5.985 24.195 -5.213 1.00 0.00 H new ATOM 0 HG3 LYS A 57 7.476 23.381 -5.644 1.00 0.00 H new ATOM 0 HD2 LYS A 57 8.190 23.338 -3.298 1.00 0.00 H new ATOM 0 HD3 LYS A 57 6.801 24.294 -2.820 1.00 0.00 H new ATOM 0 HE2 LYS A 57 5.964 22.208 -2.335 1.00 0.00 H new ATOM 0 HE3 LYS A 57 5.454 22.312 -4.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 6.534 20.208 -3.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 7.454 21.100 -4.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 7.947 21.000 -3.042 1.00 0.00 H new ATOM 848 N ALA A 58 9.825 27.421 -5.724 1.00 0.00 N ATOM 849 CA ALA A 58 10.433 28.746 -5.704 1.00 0.00 C ATOM 850 C ALA A 58 10.622 29.284 -7.119 1.00 0.00 C ATOM 851 O ALA A 58 10.244 30.417 -7.417 1.00 0.00 O ATOM 852 CB ALA A 58 11.765 28.705 -4.970 1.00 0.00 C ATOM 0 H ALA A 58 10.225 26.764 -5.054 1.00 0.00 H new ATOM 0 HA ALA A 58 9.760 29.420 -5.174 1.00 0.00 H new ATOM 0 HB1 ALA A 58 12.207 29.701 -4.963 1.00 0.00 H new ATOM 0 HB2 ALA A 58 11.605 28.372 -3.945 1.00 0.00 H new ATOM 0 HB3 ALA A 58 12.438 28.013 -5.476 1.00 0.00 H new ATOM 858 N ILE A 59 11.210 28.465 -7.984 1.00 0.00 N ATOM 859 CA ILE A 59 11.449 28.859 -9.367 1.00 0.00 C ATOM 860 C ILE A 59 10.153 29.288 -10.048 1.00 0.00 C ATOM 861 O ILE A 59 10.070 30.376 -10.618 1.00 0.00 O ATOM 862 CB ILE A 59 12.087 27.715 -10.177 1.00 0.00 C ATOM 863 CG1 ILE A 59 13.427 27.311 -9.560 1.00 0.00 C ATOM 864 CG2 ILE A 59 12.270 28.132 -11.629 1.00 0.00 C ATOM 865 CD1 ILE A 59 13.929 25.965 -10.034 1.00 0.00 C ATOM 0 H ILE A 59 11.530 27.525 -7.752 1.00 0.00 H new ATOM 0 HA ILE A 59 12.139 29.702 -9.340 1.00 0.00 H new ATOM 0 HB ILE A 59 11.420 26.853 -10.149 1.00 0.00 H new ATOM 0 HG12 ILE A 59 14.171 28.071 -9.797 1.00 0.00 H new ATOM 0 HG13 ILE A 59 13.327 27.291 -8.475 1.00 0.00 H new ATOM 0 HG21 ILE A 59 12.722 27.313 -12.189 1.00 0.00 H new ATOM 0 HG22 ILE A 59 11.300 28.376 -12.062 1.00 0.00 H new ATOM 0 HG23 ILE A 59 12.919 29.006 -11.677 1.00 0.00 H new ATOM 0 HD11 ILE A 59 14.883 25.743 -9.556 1.00 0.00 H new ATOM 0 HD12 ILE A 59 13.204 25.194 -9.773 1.00 0.00 H new ATOM 0 HD13 ILE A 59 14.062 25.987 -11.116 1.00 0.00 H new ATOM 877 N MET A 60 9.144 28.426 -9.983 1.00 0.00 N ATOM 878 CA MET A 60 7.850 28.717 -10.590 1.00 0.00 C ATOM 879 C MET A 60 7.409 30.143 -10.274 1.00 0.00 C ATOM 880 O MET A 60 6.835 30.827 -11.120 1.00 0.00 O ATOM 881 CB MET A 60 6.796 27.723 -10.098 1.00 0.00 C ATOM 882 CG MET A 60 7.211 26.270 -10.257 1.00 0.00 C ATOM 883 SD MET A 60 5.805 25.171 -10.517 1.00 0.00 S ATOM 884 CE MET A 60 4.824 25.525 -9.060 1.00 0.00 C ATOM 0 H MET A 60 9.197 27.521 -9.516 1.00 0.00 H new ATOM 0 HA MET A 60 7.954 28.619 -11.671 1.00 0.00 H new ATOM 0 HB2 MET A 60 6.586 27.919 -9.047 1.00 0.00 H new ATOM 0 HB3 MET A 60 5.868 27.889 -10.645 1.00 0.00 H new ATOM 0 HG2 MET A 60 7.897 26.182 -11.100 1.00 0.00 H new ATOM 0 HG3 MET A 60 7.756 25.952 -9.368 1.00 0.00 H new ATOM 0 HE1 MET A 60 4.383 24.601 -8.685 1.00 0.00 H new ATOM 0 HE2 MET A 60 5.460 25.962 -8.290 1.00 0.00 H new ATOM 0 HE3 MET A 60 4.031 26.228 -9.317 1.00 0.00 H new ATOM 894 N ALA A 61 7.681 30.583 -9.050 1.00 0.00 N ATOM 895 CA ALA A 61 7.314 31.928 -8.623 1.00 0.00 C ATOM 896 C ALA A 61 8.238 32.972 -9.240 1.00 0.00 C ATOM 897 O ALA A 61 7.780 33.920 -9.878 1.00 0.00 O ATOM 898 CB ALA A 61 7.344 32.026 -7.105 1.00 0.00 C ATOM 0 H ALA A 61 8.154 30.028 -8.337 1.00 0.00 H new ATOM 0 HA ALA A 61 6.300 32.128 -8.970 1.00 0.00 H new ATOM 0 HB1 ALA A 61 7.068 33.035 -6.800 1.00 0.00 H new ATOM 0 HB2 ALA A 61 6.638 31.313 -6.680 1.00 0.00 H new ATOM 0 HB3 ALA A 61 8.348 31.800 -6.746 1.00 0.00 H new ATOM 904 N ASP A 62 9.540 32.791 -9.047 1.00 0.00 N ATOM 905 CA ASP A 62 10.529 33.718 -9.585 1.00 0.00 C ATOM 906 C ASP A 62 11.509 32.994 -10.504 1.00 0.00 C ATOM 907 O ASP A 62 12.038 31.932 -10.174 1.00 0.00 O ATOM 908 CB ASP A 62 11.288 34.404 -8.449 1.00 0.00 C ATOM 909 CG ASP A 62 10.415 35.367 -7.668 1.00 0.00 C ATOM 910 OD1 ASP A 62 9.942 36.356 -8.265 1.00 0.00 O ATOM 911 OD2 ASP A 62 10.205 35.131 -6.460 1.00 0.00 O ATOM 0 H ASP A 62 9.935 32.011 -8.522 1.00 0.00 H new ATOM 0 HA ASP A 62 10.003 34.474 -10.168 1.00 0.00 H new ATOM 0 HB2 ASP A 62 11.685 33.647 -7.772 1.00 0.00 H new ATOM 0 HB3 ASP A 62 12.141 34.943 -8.860 1.00 0.00 H new ATOM 916 N PRO A 63 11.756 33.579 -11.685 1.00 0.00 N ATOM 917 CA PRO A 63 12.673 33.007 -12.675 1.00 0.00 C ATOM 918 C PRO A 63 14.128 33.075 -12.226 1.00 0.00 C ATOM 919 O PRO A 63 14.860 32.089 -12.307 1.00 0.00 O ATOM 920 CB PRO A 63 12.453 33.883 -13.910 1.00 0.00 C ATOM 921 CG PRO A 63 11.963 35.183 -13.370 1.00 0.00 C ATOM 922 CD PRO A 63 11.160 34.845 -12.144 1.00 0.00 C ATOM 0 HA PRO A 63 12.478 31.948 -12.846 1.00 0.00 H new ATOM 0 HB2 PRO A 63 13.377 34.012 -14.474 1.00 0.00 H new ATOM 0 HB3 PRO A 63 11.725 33.436 -14.588 1.00 0.00 H new ATOM 0 HG2 PRO A 63 12.796 35.841 -13.122 1.00 0.00 H new ATOM 0 HG3 PRO A 63 11.351 35.706 -14.105 1.00 0.00 H new ATOM 0 HD2 PRO A 63 11.237 35.624 -11.385 1.00 0.00 H new ATOM 0 HD3 PRO A 63 10.101 34.730 -12.376 1.00 0.00 H new ATOM 930 N ASN A 64 14.542 34.245 -11.751 1.00 0.00 N ATOM 931 CA ASN A 64 15.911 34.442 -11.288 1.00 0.00 C ATOM 932 C ASN A 64 16.408 33.217 -10.525 1.00 0.00 C ATOM 933 O ASN A 64 17.548 32.784 -10.698 1.00 0.00 O ATOM 934 CB ASN A 64 15.997 35.682 -10.396 1.00 0.00 C ATOM 935 CG ASN A 64 17.374 36.316 -10.419 1.00 0.00 C ATOM 936 OD1 ASN A 64 18.159 36.156 -9.484 1.00 0.00 O ATOM 937 ND2 ASN A 64 17.673 37.041 -11.490 1.00 0.00 N ATOM 0 H ASN A 64 13.949 35.071 -11.677 1.00 0.00 H new ATOM 0 HA ASN A 64 16.546 34.587 -12.162 1.00 0.00 H new ATOM 0 HB2 ASN A 64 15.258 36.413 -10.723 1.00 0.00 H new ATOM 0 HB3 ASN A 64 15.743 35.408 -9.372 1.00 0.00 H new ATOM 0 HD21 ASN A 64 18.585 37.493 -11.562 1.00 0.00 H new ATOM 0 HD22 ASN A 64 16.991 37.146 -12.241 1.00 0.00 H new ATOM 944 N LYS A 65 15.545 32.663 -9.681 1.00 0.00 N ATOM 945 CA LYS A 65 15.894 31.487 -8.892 1.00 0.00 C ATOM 946 C LYS A 65 16.266 30.316 -9.796 1.00 0.00 C ATOM 947 O LYS A 65 17.211 29.579 -9.517 1.00 0.00 O ATOM 948 CB LYS A 65 14.729 31.093 -7.982 1.00 0.00 C ATOM 949 CG LYS A 65 14.770 31.759 -6.618 1.00 0.00 C ATOM 950 CD LYS A 65 15.801 31.108 -5.711 1.00 0.00 C ATOM 951 CE LYS A 65 16.000 31.906 -4.431 1.00 0.00 C ATOM 952 NZ LYS A 65 14.855 31.744 -3.493 1.00 0.00 N ATOM 0 H LYS A 65 14.598 33.009 -9.525 1.00 0.00 H new ATOM 0 HA LYS A 65 16.758 31.737 -8.277 1.00 0.00 H new ATOM 0 HB2 LYS A 65 13.791 31.350 -8.474 1.00 0.00 H new ATOM 0 HB3 LYS A 65 14.733 30.011 -7.849 1.00 0.00 H new ATOM 0 HG2 LYS A 65 15.004 32.817 -6.736 1.00 0.00 H new ATOM 0 HG3 LYS A 65 13.786 31.700 -6.153 1.00 0.00 H new ATOM 0 HD2 LYS A 65 15.482 30.095 -5.464 1.00 0.00 H new ATOM 0 HD3 LYS A 65 16.750 31.023 -6.240 1.00 0.00 H new ATOM 0 HE2 LYS A 65 16.919 31.584 -3.941 1.00 0.00 H new ATOM 0 HE3 LYS A 65 16.122 32.961 -4.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 15.029 32.303 -2.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 13.982 32.075 -3.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 14.754 30.741 -3.239 1.00 0.00 H new ATOM 966 N ALA A 66 15.516 30.151 -10.881 1.00 0.00 N ATOM 967 CA ALA A 66 15.769 29.072 -11.828 1.00 0.00 C ATOM 968 C ALA A 66 17.263 28.905 -12.084 1.00 0.00 C ATOM 969 O ALA A 66 17.847 27.872 -11.755 1.00 0.00 O ATOM 970 CB ALA A 66 15.034 29.333 -13.134 1.00 0.00 C ATOM 0 H ALA A 66 14.728 30.751 -11.126 1.00 0.00 H new ATOM 0 HA ALA A 66 15.396 28.145 -11.393 1.00 0.00 H new ATOM 0 HB1 ALA A 66 15.232 28.519 -13.832 1.00 0.00 H new ATOM 0 HB2 ALA A 66 13.963 29.394 -12.943 1.00 0.00 H new ATOM 0 HB3 ALA A 66 15.380 30.273 -13.565 1.00 0.00 H new ATOM 976 N ASP A 67 17.875 29.926 -12.672 1.00 0.00 N ATOM 977 CA ASP A 67 19.302 29.893 -12.972 1.00 0.00 C ATOM 978 C ASP A 67 20.096 29.371 -11.778 1.00 0.00 C ATOM 979 O ASP A 67 20.967 28.515 -11.927 1.00 0.00 O ATOM 980 CB ASP A 67 19.797 31.287 -13.358 1.00 0.00 C ATOM 981 CG ASP A 67 19.366 31.688 -14.756 1.00 0.00 C ATOM 982 OD1 ASP A 67 18.258 31.290 -15.171 1.00 0.00 O ATOM 983 OD2 ASP A 67 20.138 32.398 -15.434 1.00 0.00 O ATOM 0 H ASP A 67 17.405 30.788 -12.951 1.00 0.00 H new ATOM 0 HA ASP A 67 19.455 29.216 -13.813 1.00 0.00 H new ATOM 0 HB2 ASP A 67 19.418 32.015 -12.641 1.00 0.00 H new ATOM 0 HB3 ASP A 67 20.885 31.314 -13.295 1.00 0.00 H new ATOM 988 N GLU A 68 19.789 29.894 -10.595 1.00 0.00 N ATOM 989 CA GLU A 68 20.475 29.481 -9.376 1.00 0.00 C ATOM 990 C GLU A 68 20.279 27.989 -9.120 1.00 0.00 C ATOM 991 O GLU A 68 21.237 27.216 -9.124 1.00 0.00 O ATOM 992 CB GLU A 68 19.966 30.287 -8.180 1.00 0.00 C ATOM 993 CG GLU A 68 20.118 31.789 -8.348 1.00 0.00 C ATOM 994 CD GLU A 68 21.490 32.286 -7.938 1.00 0.00 C ATOM 995 OE1 GLU A 68 22.417 32.227 -8.773 1.00 0.00 O ATOM 996 OE2 GLU A 68 21.637 32.735 -6.782 1.00 0.00 O ATOM 0 H GLU A 68 19.070 30.604 -10.455 1.00 0.00 H new ATOM 0 HA GLU A 68 21.540 29.672 -9.506 1.00 0.00 H new ATOM 0 HB2 GLU A 68 18.914 30.053 -8.016 1.00 0.00 H new ATOM 0 HB3 GLU A 68 20.505 29.974 -7.286 1.00 0.00 H new ATOM 0 HG2 GLU A 68 19.936 32.055 -9.389 1.00 0.00 H new ATOM 0 HG3 GLU A 68 19.359 32.296 -7.752 1.00 0.00 H new ATOM 1003 N VAL A 69 19.031 27.592 -8.897 1.00 0.00 N ATOM 1004 CA VAL A 69 18.707 26.194 -8.639 1.00 0.00 C ATOM 1005 C VAL A 69 19.348 25.281 -9.678 1.00 0.00 C ATOM 1006 O VAL A 69 20.161 24.419 -9.345 1.00 0.00 O ATOM 1007 CB VAL A 69 17.185 25.962 -8.635 1.00 0.00 C ATOM 1008 CG1 VAL A 69 16.871 24.484 -8.458 1.00 0.00 C ATOM 1009 CG2 VAL A 69 16.522 26.790 -7.545 1.00 0.00 C ATOM 0 H VAL A 69 18.227 28.219 -8.890 1.00 0.00 H new ATOM 0 HA VAL A 69 19.105 25.953 -7.653 1.00 0.00 H new ATOM 0 HB VAL A 69 16.784 26.282 -9.597 1.00 0.00 H new ATOM 0 HG11 VAL A 69 15.791 24.339 -8.458 1.00 0.00 H new ATOM 0 HG12 VAL A 69 17.313 23.917 -9.278 1.00 0.00 H new ATOM 0 HG13 VAL A 69 17.284 24.135 -7.512 1.00 0.00 H new ATOM 0 HG21 VAL A 69 15.446 26.613 -7.557 1.00 0.00 H new ATOM 0 HG22 VAL A 69 16.926 26.503 -6.574 1.00 0.00 H new ATOM 0 HG23 VAL A 69 16.718 27.848 -7.722 1.00 0.00 H new ATOM 1019 N TYR A 70 18.976 25.477 -10.938 1.00 0.00 N ATOM 1020 CA TYR A 70 19.513 24.670 -12.027 1.00 0.00 C ATOM 1021 C TYR A 70 20.991 24.365 -11.803 1.00 0.00 C ATOM 1022 O TYR A 70 21.426 23.220 -11.921 1.00 0.00 O ATOM 1023 CB TYR A 70 19.327 25.391 -13.364 1.00 0.00 C ATOM 1024 CG TYR A 70 17.879 25.570 -13.759 1.00 0.00 C ATOM 1025 CD1 TYR A 70 16.956 24.548 -13.571 1.00 0.00 C ATOM 1026 CD2 TYR A 70 17.433 26.760 -14.320 1.00 0.00 C ATOM 1027 CE1 TYR A 70 15.631 24.707 -13.931 1.00 0.00 C ATOM 1028 CE2 TYR A 70 16.110 26.929 -14.681 1.00 0.00 C ATOM 1029 CZ TYR A 70 15.214 25.899 -14.485 1.00 0.00 C ATOM 1030 OH TYR A 70 13.895 26.062 -14.845 1.00 0.00 O ATOM 0 H TYR A 70 18.305 26.187 -11.230 1.00 0.00 H new ATOM 0 HA TYR A 70 18.966 23.728 -12.050 1.00 0.00 H new ATOM 0 HB2 TYR A 70 19.803 26.370 -13.309 1.00 0.00 H new ATOM 0 HB3 TYR A 70 19.841 24.830 -14.144 1.00 0.00 H new ATOM 0 HD1 TYR A 70 17.280 23.614 -13.136 1.00 0.00 H new ATOM 0 HD2 TYR A 70 18.133 27.567 -14.477 1.00 0.00 H new ATOM 0 HE1 TYR A 70 14.927 23.903 -13.779 1.00 0.00 H new ATOM 0 HE2 TYR A 70 15.780 27.862 -15.114 1.00 0.00 H new ATOM 0 HH TYR A 70 13.465 25.184 -14.917 1.00 0.00 H new ATOM 1040 N LYS A 71 21.759 25.400 -11.477 1.00 0.00 N ATOM 1041 CA LYS A 71 23.188 25.245 -11.233 1.00 0.00 C ATOM 1042 C LYS A 71 23.440 24.332 -10.038 1.00 0.00 C ATOM 1043 O LYS A 71 24.316 23.467 -10.077 1.00 0.00 O ATOM 1044 CB LYS A 71 23.835 26.611 -10.990 1.00 0.00 C ATOM 1045 CG LYS A 71 24.283 27.307 -12.263 1.00 0.00 C ATOM 1046 CD LYS A 71 24.465 28.800 -12.048 1.00 0.00 C ATOM 1047 CE LYS A 71 25.834 29.116 -11.465 1.00 0.00 C ATOM 1048 NZ LYS A 71 25.872 30.466 -10.839 1.00 0.00 N ATOM 0 H LYS A 71 21.415 26.355 -11.376 1.00 0.00 H new ATOM 0 HA LYS A 71 23.635 24.789 -12.116 1.00 0.00 H new ATOM 0 HB2 LYS A 71 23.126 27.252 -10.466 1.00 0.00 H new ATOM 0 HB3 LYS A 71 24.696 26.484 -10.333 1.00 0.00 H new ATOM 0 HG2 LYS A 71 25.221 26.871 -12.606 1.00 0.00 H new ATOM 0 HG3 LYS A 71 23.547 27.139 -13.049 1.00 0.00 H new ATOM 0 HD2 LYS A 71 24.343 29.323 -12.997 1.00 0.00 H new ATOM 0 HD3 LYS A 71 23.689 29.170 -11.378 1.00 0.00 H new ATOM 0 HE2 LYS A 71 26.094 28.363 -10.721 1.00 0.00 H new ATOM 0 HE3 LYS A 71 26.586 29.059 -12.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 26.822 30.643 -10.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 25.649 31.187 -11.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 25.172 30.512 -10.071 1.00 0.00 H new ATOM 1062 N LYS A 72 22.666 24.527 -8.975 1.00 0.00 N ATOM 1063 CA LYS A 72 22.803 23.720 -7.769 1.00 0.00 C ATOM 1064 C LYS A 72 22.491 22.255 -8.057 1.00 0.00 C ATOM 1065 O LYS A 72 23.302 21.371 -7.779 1.00 0.00 O ATOM 1066 CB LYS A 72 21.875 24.244 -6.671 1.00 0.00 C ATOM 1067 CG LYS A 72 22.372 25.520 -6.013 1.00 0.00 C ATOM 1068 CD LYS A 72 21.244 26.266 -5.321 1.00 0.00 C ATOM 1069 CE LYS A 72 21.761 27.477 -4.559 1.00 0.00 C ATOM 1070 NZ LYS A 72 22.587 27.082 -3.385 1.00 0.00 N ATOM 0 H LYS A 72 21.937 25.238 -8.925 1.00 0.00 H new ATOM 0 HA LYS A 72 23.836 23.793 -7.428 1.00 0.00 H new ATOM 0 HB2 LYS A 72 20.888 24.425 -7.097 1.00 0.00 H new ATOM 0 HB3 LYS A 72 21.757 23.474 -5.909 1.00 0.00 H new ATOM 0 HG2 LYS A 72 23.148 25.278 -5.287 1.00 0.00 H new ATOM 0 HG3 LYS A 72 22.828 26.164 -6.765 1.00 0.00 H new ATOM 0 HD2 LYS A 72 20.511 26.586 -6.061 1.00 0.00 H new ATOM 0 HD3 LYS A 72 20.730 25.594 -4.633 1.00 0.00 H new ATOM 0 HE2 LYS A 72 22.355 28.100 -5.228 1.00 0.00 H new ATOM 0 HE3 LYS A 72 20.919 28.082 -4.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 22.722 27.904 -2.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 22.104 26.326 -2.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 23.513 26.740 -3.712 1.00 0.00 H new ATOM 1084 N TRP A 73 21.312 22.005 -8.615 1.00 0.00 N ATOM 1085 CA TRP A 73 20.893 20.647 -8.941 1.00 0.00 C ATOM 1086 C TRP A 73 22.019 19.880 -9.625 1.00 0.00 C ATOM 1087 O TRP A 73 22.553 18.919 -9.072 1.00 0.00 O ATOM 1088 CB TRP A 73 19.658 20.674 -9.843 1.00 0.00 C ATOM 1089 CG TRP A 73 18.384 20.934 -9.097 1.00 0.00 C ATOM 1090 CD1 TRP A 73 18.113 20.607 -7.799 1.00 0.00 C ATOM 1091 CD2 TRP A 73 17.208 21.572 -9.605 1.00 0.00 C ATOM 1092 NE1 TRP A 73 16.839 21.004 -7.470 1.00 0.00 N ATOM 1093 CE2 TRP A 73 16.264 21.599 -8.560 1.00 0.00 C ATOM 1094 CE3 TRP A 73 16.861 22.126 -10.841 1.00 0.00 C ATOM 1095 CZ2 TRP A 73 14.997 22.157 -8.716 1.00 0.00 C ATOM 1096 CZ3 TRP A 73 15.604 22.679 -10.994 1.00 0.00 C ATOM 1097 CH2 TRP A 73 14.685 22.692 -9.936 1.00 0.00 C ATOM 0 H TRP A 73 20.629 22.725 -8.851 1.00 0.00 H new ATOM 0 HA TRP A 73 20.643 20.138 -8.010 1.00 0.00 H new ATOM 0 HB2 TRP A 73 19.789 21.444 -10.604 1.00 0.00 H new ATOM 0 HB3 TRP A 73 19.577 19.721 -10.365 1.00 0.00 H new ATOM 0 HD1 TRP A 73 18.799 20.110 -7.129 1.00 0.00 H new ATOM 0 HE1 TRP A 73 16.394 20.876 -6.561 1.00 0.00 H new ATOM 0 HE3 TRP A 73 17.563 22.122 -11.662 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 14.286 22.167 -7.903 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 15.325 23.108 -11.945 1.00 0.00 H new ATOM 0 HH2 TRP A 73 13.711 23.133 -10.087 1.00 0.00 H new ATOM 1108 N ALA A 74 22.376 20.310 -10.831 1.00 0.00 N ATOM 1109 CA ALA A 74 23.441 19.665 -11.589 1.00 0.00 C ATOM 1110 C ALA A 74 24.670 19.428 -10.717 1.00 0.00 C ATOM 1111 O ALA A 74 25.253 18.344 -10.731 1.00 0.00 O ATOM 1112 CB ALA A 74 23.808 20.504 -12.804 1.00 0.00 C ATOM 0 H ALA A 74 21.943 21.103 -11.304 1.00 0.00 H new ATOM 0 HA ALA A 74 23.075 18.696 -11.928 1.00 0.00 H new ATOM 0 HB1 ALA A 74 24.605 20.010 -13.360 1.00 0.00 H new ATOM 0 HB2 ALA A 74 22.934 20.617 -13.445 1.00 0.00 H new ATOM 0 HB3 ALA A 74 24.149 21.487 -12.478 1.00 0.00 H new ATOM 1118 N ASP A 75 25.057 20.449 -9.960 1.00 0.00 N ATOM 1119 CA ASP A 75 26.217 20.351 -9.081 1.00 0.00 C ATOM 1120 C ASP A 75 26.104 19.136 -8.165 1.00 0.00 C ATOM 1121 O ASP A 75 27.073 18.403 -7.967 1.00 0.00 O ATOM 1122 CB ASP A 75 26.358 21.624 -8.245 1.00 0.00 C ATOM 1123 CG ASP A 75 27.215 22.673 -8.926 1.00 0.00 C ATOM 1124 OD1 ASP A 75 27.122 22.802 -10.165 1.00 0.00 O ATOM 1125 OD2 ASP A 75 27.979 23.364 -8.220 1.00 0.00 O ATOM 0 H ASP A 75 24.585 21.353 -9.937 1.00 0.00 H new ATOM 0 HA ASP A 75 27.105 20.233 -9.703 1.00 0.00 H new ATOM 0 HB2 ASP A 75 25.369 22.038 -8.050 1.00 0.00 H new ATOM 0 HB3 ASP A 75 26.795 21.374 -7.278 1.00 0.00 H new ATOM 1130 N LYS A 76 24.916 18.930 -7.608 1.00 0.00 N ATOM 1131 CA LYS A 76 24.675 17.804 -6.713 1.00 0.00 C ATOM 1132 C LYS A 76 24.945 16.480 -7.420 1.00 0.00 C ATOM 1133 O LYS A 76 25.647 15.616 -6.895 1.00 0.00 O ATOM 1134 CB LYS A 76 23.234 17.835 -6.198 1.00 0.00 C ATOM 1135 CG LYS A 76 22.866 19.132 -5.499 1.00 0.00 C ATOM 1136 CD LYS A 76 23.361 19.151 -4.062 1.00 0.00 C ATOM 1137 CE LYS A 76 22.504 20.053 -3.189 1.00 0.00 C ATOM 1138 NZ LYS A 76 22.593 19.680 -1.750 1.00 0.00 N ATOM 0 H LYS A 76 24.104 19.528 -7.760 1.00 0.00 H new ATOM 0 HA LYS A 76 25.358 17.891 -5.868 1.00 0.00 H new ATOM 0 HB2 LYS A 76 22.554 17.678 -7.035 1.00 0.00 H new ATOM 0 HB3 LYS A 76 23.086 17.005 -5.507 1.00 0.00 H new ATOM 0 HG2 LYS A 76 23.294 19.974 -6.043 1.00 0.00 H new ATOM 0 HG3 LYS A 76 21.784 19.260 -5.514 1.00 0.00 H new ATOM 0 HD2 LYS A 76 23.352 18.138 -3.660 1.00 0.00 H new ATOM 0 HD3 LYS A 76 24.395 19.495 -4.037 1.00 0.00 H new ATOM 0 HE2 LYS A 76 22.820 21.088 -3.316 1.00 0.00 H new ATOM 0 HE3 LYS A 76 21.466 19.995 -3.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 21.995 20.319 -1.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 22.267 18.700 -1.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 23.580 19.760 -1.431 1.00 0.00 H new ATOM 1152 N GLY A 77 24.385 16.327 -8.616 1.00 0.00 N ATOM 1153 CA GLY A 77 24.579 15.106 -9.376 1.00 0.00 C ATOM 1154 C GLY A 77 23.269 14.480 -9.811 1.00 0.00 C ATOM 1155 O GLY A 77 23.034 13.293 -9.583 1.00 0.00 O ATOM 0 H GLY A 77 23.800 17.027 -9.072 1.00 0.00 H new ATOM 0 HA2 GLY A 77 25.185 15.322 -10.256 1.00 0.00 H new ATOM 0 HA3 GLY A 77 25.137 14.391 -8.772 1.00 0.00 H new ATOM 1159 N TYR A 78 22.412 15.279 -10.438 1.00 0.00 N ATOM 1160 CA TYR A 78 21.117 14.797 -10.902 1.00 0.00 C ATOM 1161 C TYR A 78 21.072 14.736 -12.426 1.00 0.00 C ATOM 1162 O TYR A 78 22.025 15.124 -13.103 1.00 0.00 O ATOM 1163 CB TYR A 78 19.997 15.701 -10.383 1.00 0.00 C ATOM 1164 CG TYR A 78 20.063 15.952 -8.894 1.00 0.00 C ATOM 1165 CD1 TYR A 78 20.245 14.904 -8.000 1.00 0.00 C ATOM 1166 CD2 TYR A 78 19.942 17.238 -8.380 1.00 0.00 C ATOM 1167 CE1 TYR A 78 20.305 15.129 -6.638 1.00 0.00 C ATOM 1168 CE2 TYR A 78 20.002 17.472 -7.020 1.00 0.00 C ATOM 1169 CZ TYR A 78 20.184 16.415 -6.153 1.00 0.00 C ATOM 1170 OH TYR A 78 20.243 16.644 -4.798 1.00 0.00 O ATOM 0 H TYR A 78 22.591 16.263 -10.636 1.00 0.00 H new ATOM 0 HA TYR A 78 20.972 13.790 -10.512 1.00 0.00 H new ATOM 0 HB2 TYR A 78 20.041 16.656 -10.906 1.00 0.00 H new ATOM 0 HB3 TYR A 78 19.035 15.249 -10.625 1.00 0.00 H new ATOM 0 HD1 TYR A 78 20.341 13.896 -8.376 1.00 0.00 H new ATOM 0 HD2 TYR A 78 19.799 18.068 -9.056 1.00 0.00 H new ATOM 0 HE1 TYR A 78 20.446 14.303 -5.957 1.00 0.00 H new ATOM 0 HE2 TYR A 78 19.907 18.478 -6.638 1.00 0.00 H new ATOM 0 HH TYR A 78 19.436 16.289 -4.371 1.00 0.00 H new ATOM 1180 N THR A 79 19.957 14.248 -12.960 1.00 0.00 N ATOM 1181 CA THR A 79 19.786 14.135 -14.403 1.00 0.00 C ATOM 1182 C THR A 79 18.312 14.033 -14.775 1.00 0.00 C ATOM 1183 O THR A 79 17.480 13.641 -13.957 1.00 0.00 O ATOM 1184 CB THR A 79 20.532 12.909 -14.963 1.00 0.00 C ATOM 1185 OG1 THR A 79 20.425 12.880 -16.390 1.00 0.00 O ATOM 1186 CG2 THR A 79 19.968 11.621 -14.381 1.00 0.00 C ATOM 0 H THR A 79 19.158 13.924 -12.414 1.00 0.00 H new ATOM 0 HA THR A 79 20.207 15.039 -14.843 1.00 0.00 H new ATOM 0 HB THR A 79 21.581 12.989 -14.680 1.00 0.00 H new ATOM 0 HG1 THR A 79 20.903 12.099 -16.738 1.00 0.00 H new ATOM 0 HG21 THR A 79 20.510 10.769 -14.791 1.00 0.00 H new ATOM 0 HG22 THR A 79 20.077 11.633 -13.297 1.00 0.00 H new ATOM 0 HG23 THR A 79 18.912 11.537 -14.638 1.00 0.00 H new ATOM 1194 N LEU A 80 17.994 14.388 -16.016 1.00 0.00 N ATOM 1195 CA LEU A 80 16.618 14.336 -16.498 1.00 0.00 C ATOM 1196 C LEU A 80 15.869 13.160 -15.879 1.00 0.00 C ATOM 1197 O LEU A 80 14.804 13.331 -15.285 1.00 0.00 O ATOM 1198 CB LEU A 80 16.596 14.225 -18.023 1.00 0.00 C ATOM 1199 CG LEU A 80 17.417 15.266 -18.784 1.00 0.00 C ATOM 1200 CD1 LEU A 80 17.430 14.952 -20.272 1.00 0.00 C ATOM 1201 CD2 LEU A 80 16.867 16.663 -18.537 1.00 0.00 C ATOM 0 H LEU A 80 18.670 14.715 -16.706 1.00 0.00 H new ATOM 0 HA LEU A 80 16.118 15.258 -16.200 1.00 0.00 H new ATOM 0 HB2 LEU A 80 16.956 13.234 -18.300 1.00 0.00 H new ATOM 0 HB3 LEU A 80 15.561 14.293 -18.357 1.00 0.00 H new ATOM 0 HG LEU A 80 18.443 15.231 -18.417 1.00 0.00 H new ATOM 0 HD11 LEU A 80 18.019 15.704 -20.797 1.00 0.00 H new ATOM 0 HD12 LEU A 80 17.871 13.968 -20.432 1.00 0.00 H new ATOM 0 HD13 LEU A 80 16.409 14.959 -20.654 1.00 0.00 H new ATOM 0 HD21 LEU A 80 17.464 17.391 -19.086 1.00 0.00 H new ATOM 0 HD22 LEU A 80 15.832 16.712 -18.876 1.00 0.00 H new ATOM 0 HD23 LEU A 80 16.911 16.888 -17.471 1.00 0.00 H new ATOM 1213 N THR A 81 16.433 11.964 -16.022 1.00 0.00 N ATOM 1214 CA THR A 81 15.820 10.760 -15.477 1.00 0.00 C ATOM 1215 C THR A 81 15.407 10.962 -14.024 1.00 0.00 C ATOM 1216 O THR A 81 14.253 10.738 -13.660 1.00 0.00 O ATOM 1217 CB THR A 81 16.774 9.554 -15.565 1.00 0.00 C ATOM 1218 OG1 THR A 81 17.136 9.314 -16.930 1.00 0.00 O ATOM 1219 CG2 THR A 81 16.127 8.308 -14.980 1.00 0.00 C ATOM 0 H THR A 81 17.314 11.804 -16.511 1.00 0.00 H new ATOM 0 HA THR A 81 14.934 10.557 -16.079 1.00 0.00 H new ATOM 0 HB THR A 81 17.669 9.784 -14.987 1.00 0.00 H new ATOM 0 HG1 THR A 81 17.744 8.547 -16.977 1.00 0.00 H new ATOM 0 HG21 THR A 81 16.820 7.470 -15.053 1.00 0.00 H new ATOM 0 HG22 THR A 81 15.880 8.484 -13.933 1.00 0.00 H new ATOM 0 HG23 THR A 81 15.217 8.076 -15.534 1.00 0.00 H new ATOM 1227 N GLN A 82 16.358 11.387 -13.197 1.00 0.00 N ATOM 1228 CA GLN A 82 16.092 11.620 -11.783 1.00 0.00 C ATOM 1229 C GLN A 82 15.234 12.866 -11.588 1.00 0.00 C ATOM 1230 O GLN A 82 14.115 12.788 -11.083 1.00 0.00 O ATOM 1231 CB GLN A 82 17.405 11.764 -11.012 1.00 0.00 C ATOM 1232 CG GLN A 82 18.157 10.454 -10.841 1.00 0.00 C ATOM 1233 CD GLN A 82 19.455 10.621 -10.076 1.00 0.00 C ATOM 1234 OE1 GLN A 82 20.390 11.366 -10.652 1.00 0.00 O flip ATOM 1235 NE2 GLN A 82 19.615 10.087 -8.978 1.00 0.00 N flip ATOM 0 H GLN A 82 17.319 11.577 -13.482 1.00 0.00 H new ATOM 0 HA GLN A 82 15.545 10.761 -11.396 1.00 0.00 H new ATOM 0 HB2 GLN A 82 18.046 12.476 -11.532 1.00 0.00 H new ATOM 0 HB3 GLN A 82 17.195 12.184 -10.028 1.00 0.00 H new ATOM 0 HG2 GLN A 82 17.521 9.740 -10.318 1.00 0.00 H new ATOM 0 HG3 GLN A 82 18.370 10.031 -11.823 1.00 0.00 H new ATOM 0 HE21 GLN A 82 18.869 9.522 -8.572 1.00 0.00 H new ATOM 0 HE22 GLN A 82 20.494 10.210 -8.474 1.00 0.00 H new ATOM 1244 N MET A 83 15.768 14.014 -11.990 1.00 0.00 N ATOM 1245 CA MET A 83 15.051 15.277 -11.860 1.00 0.00 C ATOM 1246 C MET A 83 13.557 15.081 -12.096 1.00 0.00 C ATOM 1247 O MET A 83 12.745 15.272 -11.190 1.00 0.00 O ATOM 1248 CB MET A 83 15.604 16.307 -12.847 1.00 0.00 C ATOM 1249 CG MET A 83 14.950 17.674 -12.730 1.00 0.00 C ATOM 1250 SD MET A 83 15.079 18.365 -11.069 1.00 0.00 S ATOM 1251 CE MET A 83 16.808 18.828 -11.028 1.00 0.00 C ATOM 0 H MET A 83 16.695 14.096 -12.408 1.00 0.00 H new ATOM 0 HA MET A 83 15.195 15.644 -10.844 1.00 0.00 H new ATOM 0 HB2 MET A 83 16.677 16.412 -12.687 1.00 0.00 H new ATOM 0 HB3 MET A 83 15.468 15.934 -13.862 1.00 0.00 H new ATOM 0 HG2 MET A 83 15.415 18.357 -13.441 1.00 0.00 H new ATOM 0 HG3 MET A 83 13.898 17.594 -13.006 1.00 0.00 H new ATOM 0 HE1 MET A 83 17.114 19.002 -9.996 1.00 0.00 H new ATOM 0 HE2 MET A 83 17.410 18.025 -11.454 1.00 0.00 H new ATOM 0 HE3 MET A 83 16.955 19.739 -11.608 1.00 0.00 H new ATOM 1261 N SER A 84 13.201 14.698 -13.318 1.00 0.00 N ATOM 1262 CA SER A 84 11.803 14.479 -13.674 1.00 0.00 C ATOM 1263 C SER A 84 11.105 13.615 -12.628 1.00 0.00 C ATOM 1264 O SER A 84 10.101 14.019 -12.043 1.00 0.00 O ATOM 1265 CB SER A 84 11.703 13.817 -15.049 1.00 0.00 C ATOM 1266 OG SER A 84 10.499 14.179 -15.703 1.00 0.00 O ATOM 0 H SER A 84 13.861 14.533 -14.078 1.00 0.00 H new ATOM 0 HA SER A 84 11.306 15.449 -13.709 1.00 0.00 H new ATOM 0 HB2 SER A 84 12.556 14.112 -15.661 1.00 0.00 H new ATOM 0 HB3 SER A 84 11.749 12.734 -14.939 1.00 0.00 H new ATOM 0 HG SER A 84 10.460 13.744 -16.580 1.00 0.00 H new ATOM 1272 N ASN A 85 11.645 12.422 -12.399 1.00 0.00 N ATOM 1273 CA ASN A 85 11.074 11.499 -11.425 1.00 0.00 C ATOM 1274 C ASN A 85 10.672 12.235 -10.150 1.00 0.00 C ATOM 1275 O ASN A 85 9.687 11.881 -9.501 1.00 0.00 O ATOM 1276 CB ASN A 85 12.076 10.392 -11.093 1.00 0.00 C ATOM 1277 CG ASN A 85 12.006 9.236 -12.072 1.00 0.00 C ATOM 1278 OD1 ASN A 85 11.153 9.211 -12.959 1.00 0.00 O ATOM 1279 ND2 ASN A 85 12.905 8.272 -11.915 1.00 0.00 N ATOM 0 H ASN A 85 12.477 12.072 -12.875 1.00 0.00 H new ATOM 0 HA ASN A 85 10.181 11.053 -11.863 1.00 0.00 H new ATOM 0 HB2 ASN A 85 13.084 10.806 -11.095 1.00 0.00 H new ATOM 0 HB3 ASN A 85 11.885 10.023 -10.085 1.00 0.00 H new ATOM 0 HD21 ASN A 85 12.907 7.469 -12.544 1.00 0.00 H new ATOM 0 HD22 ASN A 85 13.594 8.334 -11.165 1.00 0.00 H new ATOM 1286 N PHE A 86 11.439 13.260 -9.797 1.00 0.00 N ATOM 1287 CA PHE A 86 11.163 14.046 -8.600 1.00 0.00 C ATOM 1288 C PHE A 86 10.043 15.050 -8.855 1.00 0.00 C ATOM 1289 O PHE A 86 9.139 15.210 -8.034 1.00 0.00 O ATOM 1290 CB PHE A 86 12.426 14.779 -8.143 1.00 0.00 C ATOM 1291 CG PHE A 86 13.555 13.858 -7.779 1.00 0.00 C ATOM 1292 CD1 PHE A 86 13.322 12.720 -7.025 1.00 0.00 C ATOM 1293 CD2 PHE A 86 14.850 14.132 -8.190 1.00 0.00 C ATOM 1294 CE1 PHE A 86 14.359 11.870 -6.688 1.00 0.00 C ATOM 1295 CE2 PHE A 86 15.890 13.286 -7.856 1.00 0.00 C ATOM 1296 CZ PHE A 86 15.645 12.154 -7.103 1.00 0.00 C ATOM 0 H PHE A 86 12.257 13.566 -10.323 1.00 0.00 H new ATOM 0 HA PHE A 86 10.843 13.363 -7.813 1.00 0.00 H new ATOM 0 HB2 PHE A 86 12.756 15.448 -8.938 1.00 0.00 H new ATOM 0 HB3 PHE A 86 12.184 15.402 -7.282 1.00 0.00 H new ATOM 0 HD1 PHE A 86 12.318 12.494 -6.696 1.00 0.00 H new ATOM 0 HD2 PHE A 86 15.048 15.016 -8.778 1.00 0.00 H new ATOM 0 HE1 PHE A 86 14.163 10.985 -6.101 1.00 0.00 H new ATOM 0 HE2 PHE A 86 16.895 13.510 -8.184 1.00 0.00 H new ATOM 0 HZ PHE A 86 16.457 11.493 -6.840 1.00 0.00 H new ATOM 1306 N LEU A 87 10.109 15.724 -9.998 1.00 0.00 N ATOM 1307 CA LEU A 87 9.101 16.713 -10.362 1.00 0.00 C ATOM 1308 C LEU A 87 7.975 16.072 -11.168 1.00 0.00 C ATOM 1309 O LEU A 87 7.392 16.702 -12.051 1.00 0.00 O ATOM 1310 CB LEU A 87 9.738 17.847 -11.167 1.00 0.00 C ATOM 1311 CG LEU A 87 10.986 18.485 -10.555 1.00 0.00 C ATOM 1312 CD1 LEU A 87 11.662 19.405 -11.560 1.00 0.00 C ATOM 1313 CD2 LEU A 87 10.628 19.248 -9.288 1.00 0.00 C ATOM 0 H LEU A 87 10.850 15.603 -10.688 1.00 0.00 H new ATOM 0 HA LEU A 87 8.679 17.120 -9.443 1.00 0.00 H new ATOM 0 HB2 LEU A 87 9.997 17.464 -12.154 1.00 0.00 H new ATOM 0 HB3 LEU A 87 8.990 18.626 -11.313 1.00 0.00 H new ATOM 0 HG LEU A 87 11.685 17.691 -10.292 1.00 0.00 H new ATOM 0 HD11 LEU A 87 12.548 19.850 -11.107 1.00 0.00 H new ATOM 0 HD12 LEU A 87 11.953 18.831 -12.440 1.00 0.00 H new ATOM 0 HD13 LEU A 87 10.970 20.194 -11.854 1.00 0.00 H new ATOM 0 HD21 LEU A 87 11.528 19.695 -8.866 1.00 0.00 H new ATOM 0 HD22 LEU A 87 9.910 20.033 -9.526 1.00 0.00 H new ATOM 0 HD23 LEU A 87 10.189 18.563 -8.563 1.00 0.00 H new ATOM 1325 N LYS A 88 7.673 14.816 -10.857 1.00 0.00 N ATOM 1326 CA LYS A 88 6.614 14.090 -11.549 1.00 0.00 C ATOM 1327 C LYS A 88 5.259 14.356 -10.903 1.00 0.00 C ATOM 1328 O LYS A 88 4.450 13.444 -10.736 1.00 0.00 O ATOM 1329 CB LYS A 88 6.909 12.588 -11.541 1.00 0.00 C ATOM 1330 CG LYS A 88 6.939 11.982 -10.149 1.00 0.00 C ATOM 1331 CD LYS A 88 7.437 10.547 -10.176 1.00 0.00 C ATOM 1332 CE LYS A 88 6.313 9.572 -10.488 1.00 0.00 C ATOM 1333 NZ LYS A 88 5.356 9.448 -9.354 1.00 0.00 N ATOM 0 H LYS A 88 8.147 14.279 -10.130 1.00 0.00 H new ATOM 0 HA LYS A 88 6.580 14.443 -12.580 1.00 0.00 H new ATOM 0 HB2 LYS A 88 6.153 12.075 -12.136 1.00 0.00 H new ATOM 0 HB3 LYS A 88 7.869 12.412 -12.026 1.00 0.00 H new ATOM 0 HG2 LYS A 88 7.584 12.580 -9.505 1.00 0.00 H new ATOM 0 HG3 LYS A 88 5.939 12.013 -9.716 1.00 0.00 H new ATOM 0 HD2 LYS A 88 8.224 10.448 -10.924 1.00 0.00 H new ATOM 0 HD3 LYS A 88 7.880 10.296 -9.212 1.00 0.00 H new ATOM 0 HE2 LYS A 88 5.780 9.905 -11.378 1.00 0.00 H new ATOM 0 HE3 LYS A 88 6.734 8.593 -10.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 4.807 8.571 -9.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 5.882 9.424 -8.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 4.709 10.263 -9.355 1.00 0.00 H new ATOM 1347 N SER A 89 5.017 15.613 -10.542 1.00 0.00 N ATOM 1348 CA SER A 89 3.760 15.998 -9.912 1.00 0.00 C ATOM 1349 C SER A 89 2.587 15.785 -10.864 1.00 0.00 C ATOM 1350 O SER A 89 2.030 16.739 -11.406 1.00 0.00 O ATOM 1351 CB SER A 89 3.814 17.463 -9.471 1.00 0.00 C ATOM 1352 OG SER A 89 2.998 17.684 -8.334 1.00 0.00 O ATOM 0 H SER A 89 5.675 16.381 -10.675 1.00 0.00 H new ATOM 0 HA SER A 89 3.613 15.367 -9.036 1.00 0.00 H new ATOM 0 HB2 SER A 89 4.843 17.740 -9.243 1.00 0.00 H new ATOM 0 HB3 SER A 89 3.485 18.104 -10.289 1.00 0.00 H new ATOM 0 HG SER A 89 3.565 17.858 -7.554 1.00 0.00 H new ATOM 1358 N LYS A 90 2.216 14.524 -11.062 1.00 0.00 N ATOM 1359 CA LYS A 90 1.109 14.182 -11.947 1.00 0.00 C ATOM 1360 C LYS A 90 0.025 15.255 -11.902 1.00 0.00 C ATOM 1361 O LYS A 90 -0.822 15.260 -11.008 1.00 0.00 O ATOM 1362 CB LYS A 90 0.516 12.827 -11.555 1.00 0.00 C ATOM 1363 CG LYS A 90 1.189 11.648 -12.236 1.00 0.00 C ATOM 1364 CD LYS A 90 0.745 11.512 -13.683 1.00 0.00 C ATOM 1365 CE LYS A 90 1.669 10.592 -14.466 1.00 0.00 C ATOM 1366 NZ LYS A 90 1.320 10.557 -15.914 1.00 0.00 N ATOM 0 H LYS A 90 2.666 13.722 -10.621 1.00 0.00 H new ATOM 0 HA LYS A 90 1.495 14.122 -12.965 1.00 0.00 H new ATOM 0 HB2 LYS A 90 0.594 12.705 -10.475 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -0.546 12.820 -11.801 1.00 0.00 H new ATOM 0 HG2 LYS A 90 2.271 11.773 -12.197 1.00 0.00 H new ATOM 0 HG3 LYS A 90 0.954 10.731 -11.695 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -0.272 11.122 -13.717 1.00 0.00 H new ATOM 0 HD3 LYS A 90 0.726 12.495 -14.153 1.00 0.00 H new ATOM 0 HE2 LYS A 90 2.700 10.927 -14.349 1.00 0.00 H new ATOM 0 HE3 LYS A 90 1.612 9.584 -14.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 1.972 9.919 -16.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 0.345 10.213 -16.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 1.399 11.514 -16.313 1.00 0.00 H new ATOM 1380 N THR A 91 0.057 16.162 -12.874 1.00 0.00 N ATOM 1381 CA THR A 91 -0.922 17.239 -12.946 1.00 0.00 C ATOM 1382 C THR A 91 -1.026 17.794 -14.361 1.00 0.00 C ATOM 1383 O THR A 91 -0.126 17.606 -15.179 1.00 0.00 O ATOM 1384 CB THR A 91 -0.567 18.386 -11.981 1.00 0.00 C ATOM 1385 OG1 THR A 91 -0.315 17.865 -10.671 1.00 0.00 O ATOM 1386 CG2 THR A 91 -1.693 19.408 -11.918 1.00 0.00 C ATOM 0 H THR A 91 0.750 16.172 -13.622 1.00 0.00 H new ATOM 0 HA THR A 91 -1.882 16.813 -12.655 1.00 0.00 H new ATOM 0 HB THR A 91 0.331 18.880 -12.353 1.00 0.00 H new ATOM 0 HG1 THR A 91 0.584 17.476 -10.641 1.00 0.00 H new ATOM 0 HG21 THR A 91 -1.420 20.208 -11.230 1.00 0.00 H new ATOM 0 HG22 THR A 91 -1.862 19.825 -12.911 1.00 0.00 H new ATOM 0 HG23 THR A 91 -2.605 18.924 -11.567 1.00 0.00 H new ATOM 1394 N ALA A 92 -2.129 18.479 -14.644 1.00 0.00 N ATOM 1395 CA ALA A 92 -2.349 19.064 -15.961 1.00 0.00 C ATOM 1396 C ALA A 92 -1.614 20.393 -16.101 1.00 0.00 C ATOM 1397 O ALA A 92 -2.139 21.348 -16.671 1.00 0.00 O ATOM 1398 CB ALA A 92 -3.837 19.254 -16.213 1.00 0.00 C ATOM 0 H ALA A 92 -2.885 18.643 -13.979 1.00 0.00 H new ATOM 0 HA ALA A 92 -1.950 18.377 -16.707 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -3.986 19.692 -17.200 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -4.340 18.288 -16.164 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -4.252 19.918 -15.455 1.00 0.00 H new ATOM 1404 N GLY A 93 -0.393 20.447 -15.575 1.00 0.00 N ATOM 1405 CA GLY A 93 0.394 21.664 -15.652 1.00 0.00 C ATOM 1406 C GLY A 93 0.742 22.216 -14.284 1.00 0.00 C ATOM 1407 O GLY A 93 -0.024 22.986 -13.703 1.00 0.00 O ATOM 0 H GLY A 93 0.064 19.670 -15.098 1.00 0.00 H new ATOM 0 HA2 GLY A 93 1.312 21.465 -16.205 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -0.160 22.416 -16.214 1.00 0.00 H new ATOM 1411 N LYS A 94 1.900 21.822 -13.765 1.00 0.00 N ATOM 1412 CA LYS A 94 2.349 22.282 -12.456 1.00 0.00 C ATOM 1413 C LYS A 94 3.807 22.727 -12.507 1.00 0.00 C ATOM 1414 O LYS A 94 4.107 23.917 -12.407 1.00 0.00 O ATOM 1415 CB LYS A 94 2.179 21.172 -11.417 1.00 0.00 C ATOM 1416 CG LYS A 94 1.990 21.688 -10.001 1.00 0.00 C ATOM 1417 CD LYS A 94 1.956 20.551 -8.993 1.00 0.00 C ATOM 1418 CE LYS A 94 1.678 21.060 -7.587 1.00 0.00 C ATOM 1419 NZ LYS A 94 0.223 21.267 -7.350 1.00 0.00 N ATOM 0 H LYS A 94 2.545 21.184 -14.231 1.00 0.00 H new ATOM 0 HA LYS A 94 1.737 23.137 -12.169 1.00 0.00 H new ATOM 0 HB2 LYS A 94 1.319 20.560 -11.689 1.00 0.00 H new ATOM 0 HB3 LYS A 94 3.054 20.523 -11.444 1.00 0.00 H new ATOM 0 HG2 LYS A 94 2.800 22.373 -9.751 1.00 0.00 H new ATOM 0 HG3 LYS A 94 1.062 22.257 -9.941 1.00 0.00 H new ATOM 0 HD2 LYS A 94 1.188 19.833 -9.279 1.00 0.00 H new ATOM 0 HD3 LYS A 94 2.909 20.022 -9.008 1.00 0.00 H new ATOM 0 HE2 LYS A 94 2.067 20.348 -6.859 1.00 0.00 H new ATOM 0 HE3 LYS A 94 2.209 21.999 -7.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 0.075 21.614 -6.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -0.143 21.966 -8.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -0.281 20.366 -7.476 1.00 0.00 H new ATOM 1433 N TYR A 95 4.709 21.765 -12.663 1.00 0.00 N ATOM 1434 CA TYR A 95 6.136 22.058 -12.725 1.00 0.00 C ATOM 1435 C TYR A 95 6.661 21.907 -14.150 1.00 0.00 C ATOM 1436 O TYR A 95 7.745 21.365 -14.370 1.00 0.00 O ATOM 1437 CB TYR A 95 6.910 21.133 -11.784 1.00 0.00 C ATOM 1438 CG TYR A 95 6.477 21.240 -10.339 1.00 0.00 C ATOM 1439 CD1 TYR A 95 6.888 22.306 -9.547 1.00 0.00 C ATOM 1440 CD2 TYR A 95 5.657 20.276 -9.766 1.00 0.00 C ATOM 1441 CE1 TYR A 95 6.496 22.407 -8.227 1.00 0.00 C ATOM 1442 CE2 TYR A 95 5.259 20.370 -8.446 1.00 0.00 C ATOM 1443 CZ TYR A 95 5.681 21.438 -7.681 1.00 0.00 C ATOM 1444 OH TYR A 95 5.287 21.535 -6.366 1.00 0.00 O ATOM 0 H TYR A 95 4.478 20.775 -12.749 1.00 0.00 H new ATOM 0 HA TYR A 95 6.283 23.091 -12.410 1.00 0.00 H new ATOM 0 HB2 TYR A 95 6.785 20.103 -12.117 1.00 0.00 H new ATOM 0 HB3 TYR A 95 7.973 21.364 -11.854 1.00 0.00 H new ATOM 0 HD1 TYR A 95 7.525 23.068 -9.971 1.00 0.00 H new ATOM 0 HD2 TYR A 95 5.325 19.439 -10.362 1.00 0.00 H new ATOM 0 HE1 TYR A 95 6.826 23.241 -7.625 1.00 0.00 H new ATOM 0 HE2 TYR A 95 4.621 19.612 -8.016 1.00 0.00 H new ATOM 0 HH TYR A 95 4.715 20.773 -6.139 1.00 0.00 H new ATOM 1454 N ASP A 96 5.885 22.390 -15.114 1.00 0.00 N ATOM 1455 CA ASP A 96 6.272 22.312 -16.518 1.00 0.00 C ATOM 1456 C ASP A 96 7.407 23.283 -16.824 1.00 0.00 C ATOM 1457 O ASP A 96 8.387 22.922 -17.477 1.00 0.00 O ATOM 1458 CB ASP A 96 5.071 22.612 -17.416 1.00 0.00 C ATOM 1459 CG ASP A 96 4.164 21.409 -17.592 1.00 0.00 C ATOM 1460 OD1 ASP A 96 4.636 20.274 -17.373 1.00 0.00 O ATOM 1461 OD2 ASP A 96 2.983 21.604 -17.949 1.00 0.00 O ATOM 0 H ASP A 96 4.984 22.840 -14.949 1.00 0.00 H new ATOM 0 HA ASP A 96 6.622 21.299 -16.718 1.00 0.00 H new ATOM 0 HB2 ASP A 96 4.499 23.435 -16.989 1.00 0.00 H new ATOM 0 HB3 ASP A 96 5.425 22.942 -18.393 1.00 0.00 H new ATOM 1466 N ARG A 97 7.269 24.516 -16.350 1.00 0.00 N ATOM 1467 CA ARG A 97 8.282 25.540 -16.575 1.00 0.00 C ATOM 1468 C ARG A 97 9.600 25.156 -15.908 1.00 0.00 C ATOM 1469 O ARG A 97 10.676 25.366 -16.469 1.00 0.00 O ATOM 1470 CB ARG A 97 7.801 26.890 -16.040 1.00 0.00 C ATOM 1471 CG ARG A 97 6.858 27.618 -16.983 1.00 0.00 C ATOM 1472 CD ARG A 97 6.198 28.808 -16.303 1.00 0.00 C ATOM 1473 NE ARG A 97 7.122 29.927 -16.141 1.00 0.00 N ATOM 1474 CZ ARG A 97 6.912 30.939 -15.307 1.00 0.00 C ATOM 1475 NH1 ARG A 97 5.815 30.971 -14.562 1.00 0.00 N ATOM 1476 NH2 ARG A 97 7.800 31.920 -15.215 1.00 0.00 N ATOM 0 H ARG A 97 6.465 24.831 -15.807 1.00 0.00 H new ATOM 0 HA ARG A 97 8.448 25.622 -17.649 1.00 0.00 H new ATOM 0 HB2 ARG A 97 7.298 26.735 -15.085 1.00 0.00 H new ATOM 0 HB3 ARG A 97 8.667 27.523 -15.845 1.00 0.00 H new ATOM 0 HG2 ARG A 97 7.409 27.958 -17.859 1.00 0.00 H new ATOM 0 HG3 ARG A 97 6.091 26.928 -17.337 1.00 0.00 H new ATOM 0 HD2 ARG A 97 5.338 29.130 -16.890 1.00 0.00 H new ATOM 0 HD3 ARG A 97 5.821 28.504 -15.326 1.00 0.00 H new ATOM 0 HE ARG A 97 7.976 29.932 -16.699 1.00 0.00 H new ATOM 0 HH11 ARG A 97 5.131 30.217 -14.629 1.00 0.00 H new ATOM 0 HH12 ARG A 97 5.656 31.749 -13.922 1.00 0.00 H new ATOM 0 HH21 ARG A 97 8.645 31.898 -15.785 1.00 0.00 H new ATOM 0 HH22 ARG A 97 7.637 32.697 -14.574 1.00 0.00 H new ATOM 1490 N VAL A 98 9.508 24.594 -14.707 1.00 0.00 N ATOM 1491 CA VAL A 98 10.692 24.181 -13.964 1.00 0.00 C ATOM 1492 C VAL A 98 11.535 23.202 -14.773 1.00 0.00 C ATOM 1493 O VAL A 98 12.708 23.458 -15.050 1.00 0.00 O ATOM 1494 CB VAL A 98 10.313 23.527 -12.622 1.00 0.00 C ATOM 1495 CG1 VAL A 98 11.561 23.126 -11.851 1.00 0.00 C ATOM 1496 CG2 VAL A 98 9.447 24.467 -11.797 1.00 0.00 C ATOM 0 H VAL A 98 8.626 24.414 -14.228 1.00 0.00 H new ATOM 0 HA VAL A 98 11.273 25.082 -13.769 1.00 0.00 H new ATOM 0 HB VAL A 98 9.737 22.625 -12.828 1.00 0.00 H new ATOM 0 HG11 VAL A 98 11.273 22.666 -10.906 1.00 0.00 H new ATOM 0 HG12 VAL A 98 12.139 22.414 -12.440 1.00 0.00 H new ATOM 0 HG13 VAL A 98 12.167 24.010 -11.654 1.00 0.00 H new ATOM 0 HG21 VAL A 98 9.189 23.989 -10.852 1.00 0.00 H new ATOM 0 HG22 VAL A 98 9.996 25.388 -11.599 1.00 0.00 H new ATOM 0 HG23 VAL A 98 8.535 24.699 -12.347 1.00 0.00 H new ATOM 1506 N TYR A 99 10.931 22.081 -15.150 1.00 0.00 N ATOM 1507 CA TYR A 99 11.627 21.062 -15.927 1.00 0.00 C ATOM 1508 C TYR A 99 12.224 21.658 -17.198 1.00 0.00 C ATOM 1509 O TYR A 99 13.424 21.549 -17.443 1.00 0.00 O ATOM 1510 CB TYR A 99 10.671 19.923 -16.285 1.00 0.00 C ATOM 1511 CG TYR A 99 11.354 18.742 -16.937 1.00 0.00 C ATOM 1512 CD1 TYR A 99 12.124 17.859 -16.188 1.00 0.00 C ATOM 1513 CD2 TYR A 99 11.230 18.508 -18.301 1.00 0.00 C ATOM 1514 CE1 TYR A 99 12.750 16.779 -16.780 1.00 0.00 C ATOM 1515 CE2 TYR A 99 11.852 17.430 -18.900 1.00 0.00 C ATOM 1516 CZ TYR A 99 12.611 16.569 -18.136 1.00 0.00 C ATOM 1517 OH TYR A 99 13.233 15.494 -18.729 1.00 0.00 O ATOM 0 H TYR A 99 9.961 21.855 -14.930 1.00 0.00 H new ATOM 0 HA TYR A 99 12.439 20.668 -15.316 1.00 0.00 H new ATOM 0 HB2 TYR A 99 10.166 19.586 -15.380 1.00 0.00 H new ATOM 0 HB3 TYR A 99 9.901 20.303 -16.957 1.00 0.00 H new ATOM 0 HD1 TYR A 99 12.235 18.020 -15.126 1.00 0.00 H new ATOM 0 HD2 TYR A 99 10.637 19.181 -18.903 1.00 0.00 H new ATOM 0 HE1 TYR A 99 13.345 16.103 -16.184 1.00 0.00 H new ATOM 0 HE2 TYR A 99 11.744 17.262 -19.961 1.00 0.00 H new ATOM 0 HH TYR A 99 13.033 15.489 -19.688 1.00 0.00 H new ATOM 1527 N ASN A 100 11.375 22.290 -18.002 1.00 0.00 N ATOM 1528 CA ASN A 100 11.817 22.905 -19.248 1.00 0.00 C ATOM 1529 C ASN A 100 13.223 23.479 -19.103 1.00 0.00 C ATOM 1530 O ASN A 100 14.168 23.001 -19.730 1.00 0.00 O ATOM 1531 CB ASN A 100 10.845 24.008 -19.670 1.00 0.00 C ATOM 1532 CG ASN A 100 11.135 24.534 -21.062 1.00 0.00 C ATOM 1533 OD1 ASN A 100 12.265 24.913 -21.372 1.00 0.00 O ATOM 1534 ND2 ASN A 100 10.113 24.560 -21.910 1.00 0.00 N ATOM 0 H ASN A 100 10.378 22.390 -17.813 1.00 0.00 H new ATOM 0 HA ASN A 100 11.836 22.133 -20.018 1.00 0.00 H new ATOM 0 HB2 ASN A 100 9.826 23.623 -19.635 1.00 0.00 H new ATOM 0 HB3 ASN A 100 10.900 24.829 -18.956 1.00 0.00 H new ATOM 0 HD21 ASN A 100 10.248 24.904 -22.861 1.00 0.00 H new ATOM 0 HD22 ASN A 100 9.193 24.236 -21.610 1.00 0.00 H new ATOM 1541 N GLY A 101 13.354 24.507 -18.271 1.00 0.00 N ATOM 1542 CA GLY A 101 14.647 25.129 -18.057 1.00 0.00 C ATOM 1543 C GLY A 101 15.754 24.112 -17.859 1.00 0.00 C ATOM 1544 O GLY A 101 16.642 23.978 -18.702 1.00 0.00 O ATOM 0 H GLY A 101 12.587 24.921 -17.741 1.00 0.00 H new ATOM 0 HA2 GLY A 101 14.888 25.762 -18.911 1.00 0.00 H new ATOM 0 HA3 GLY A 101 14.594 25.779 -17.183 1.00 0.00 H new ATOM 1548 N TYR A 102 15.703 23.395 -16.742 1.00 0.00 N ATOM 1549 CA TYR A 102 16.711 22.388 -16.433 1.00 0.00 C ATOM 1550 C TYR A 102 17.161 21.662 -17.698 1.00 0.00 C ATOM 1551 O TYR A 102 18.346 21.643 -18.029 1.00 0.00 O ATOM 1552 CB TYR A 102 16.164 21.381 -15.421 1.00 0.00 C ATOM 1553 CG TYR A 102 17.228 20.499 -14.808 1.00 0.00 C ATOM 1554 CD1 TYR A 102 18.327 21.051 -14.161 1.00 0.00 C ATOM 1555 CD2 TYR A 102 17.134 19.115 -14.876 1.00 0.00 C ATOM 1556 CE1 TYR A 102 19.302 20.249 -13.600 1.00 0.00 C ATOM 1557 CE2 TYR A 102 18.104 18.305 -14.317 1.00 0.00 C ATOM 1558 CZ TYR A 102 19.186 18.877 -13.680 1.00 0.00 C ATOM 1559 OH TYR A 102 20.154 18.074 -13.123 1.00 0.00 O ATOM 0 H TYR A 102 14.974 23.493 -16.035 1.00 0.00 H new ATOM 0 HA TYR A 102 17.573 22.895 -16.000 1.00 0.00 H new ATOM 0 HB2 TYR A 102 15.649 21.921 -14.626 1.00 0.00 H new ATOM 0 HB3 TYR A 102 15.421 20.752 -15.912 1.00 0.00 H new ATOM 0 HD1 TYR A 102 18.420 22.125 -14.096 1.00 0.00 H new ATOM 0 HD2 TYR A 102 16.288 18.664 -15.374 1.00 0.00 H new ATOM 0 HE1 TYR A 102 20.150 20.694 -13.101 1.00 0.00 H new ATOM 0 HE2 TYR A 102 18.016 17.230 -14.378 1.00 0.00 H new ATOM 0 HH TYR A 102 19.921 17.133 -13.266 1.00 0.00 H new ATOM 1569 N VAL A 103 16.204 21.065 -18.401 1.00 0.00 N ATOM 1570 CA VAL A 103 16.499 20.339 -19.630 1.00 0.00 C ATOM 1571 C VAL A 103 17.575 21.049 -20.444 1.00 0.00 C ATOM 1572 O VAL A 103 18.636 20.485 -20.714 1.00 0.00 O ATOM 1573 CB VAL A 103 15.239 20.174 -20.501 1.00 0.00 C ATOM 1574 CG1 VAL A 103 15.583 19.487 -21.814 1.00 0.00 C ATOM 1575 CG2 VAL A 103 14.170 19.397 -19.747 1.00 0.00 C ATOM 0 H VAL A 103 15.218 21.070 -18.140 1.00 0.00 H new ATOM 0 HA VAL A 103 16.861 19.354 -19.336 1.00 0.00 H new ATOM 0 HB VAL A 103 14.844 21.164 -20.730 1.00 0.00 H new ATOM 0 HG11 VAL A 103 14.680 19.379 -22.416 1.00 0.00 H new ATOM 0 HG12 VAL A 103 16.312 20.087 -22.358 1.00 0.00 H new ATOM 0 HG13 VAL A 103 16.003 18.502 -21.610 1.00 0.00 H new ATOM 0 HG21 VAL A 103 13.287 19.289 -20.376 1.00 0.00 H new ATOM 0 HG22 VAL A 103 14.553 18.410 -19.487 1.00 0.00 H new ATOM 0 HG23 VAL A 103 13.904 19.934 -18.837 1.00 0.00 H new ATOM 1585 N ILE A 104 17.295 22.289 -20.831 1.00 0.00 N ATOM 1586 CA ILE A 104 18.241 23.077 -21.612 1.00 0.00 C ATOM 1587 C ILE A 104 19.496 23.388 -20.804 1.00 0.00 C ATOM 1588 O ILE A 104 20.615 23.258 -21.301 1.00 0.00 O ATOM 1589 CB ILE A 104 17.611 24.398 -22.091 1.00 0.00 C ATOM 1590 CG1 ILE A 104 16.437 24.118 -23.031 1.00 0.00 C ATOM 1591 CG2 ILE A 104 18.655 25.262 -22.783 1.00 0.00 C ATOM 1592 CD1 ILE A 104 15.113 23.965 -22.315 1.00 0.00 C ATOM 0 H ILE A 104 16.421 22.770 -20.617 1.00 0.00 H new ATOM 0 HA ILE A 104 18.511 22.477 -22.481 1.00 0.00 H new ATOM 0 HB ILE A 104 17.236 24.940 -21.223 1.00 0.00 H new ATOM 0 HG12 ILE A 104 16.359 24.931 -23.753 1.00 0.00 H new ATOM 0 HG13 ILE A 104 16.643 23.209 -23.595 1.00 0.00 H new ATOM 0 HG21 ILE A 104 18.195 26.192 -23.116 1.00 0.00 H new ATOM 0 HG22 ILE A 104 19.462 25.486 -22.086 1.00 0.00 H new ATOM 0 HG23 ILE A 104 19.057 24.728 -23.644 1.00 0.00 H new ATOM 0 HD11 ILE A 104 14.326 23.768 -23.043 1.00 0.00 H new ATOM 0 HD12 ILE A 104 15.173 23.134 -21.612 1.00 0.00 H new ATOM 0 HD13 ILE A 104 14.884 24.883 -21.773 1.00 0.00 H new ATOM 1604 N HIS A 105 19.303 23.798 -19.555 1.00 0.00 N ATOM 1605 CA HIS A 105 20.420 24.126 -18.676 1.00 0.00 C ATOM 1606 C HIS A 105 21.546 23.107 -18.826 1.00 0.00 C ATOM 1607 O HIS A 105 22.723 23.467 -18.856 1.00 0.00 O ATOM 1608 CB HIS A 105 19.954 24.178 -17.221 1.00 0.00 C ATOM 1609 CG HIS A 105 21.077 24.272 -16.235 1.00 0.00 C ATOM 1610 ND1 HIS A 105 21.788 25.433 -16.012 1.00 0.00 N ATOM 1611 CD2 HIS A 105 21.610 23.342 -15.409 1.00 0.00 C ATOM 1612 CE1 HIS A 105 22.711 25.211 -15.093 1.00 0.00 C ATOM 1613 NE2 HIS A 105 22.624 23.950 -14.711 1.00 0.00 N ATOM 0 H HIS A 105 18.383 23.911 -19.128 1.00 0.00 H new ATOM 0 HA HIS A 105 20.800 25.107 -18.963 1.00 0.00 H new ATOM 0 HB2 HIS A 105 19.294 25.035 -17.090 1.00 0.00 H new ATOM 0 HB3 HIS A 105 19.365 23.287 -17.005 1.00 0.00 H new ATOM 0 HD2 HIS A 105 21.296 22.313 -15.316 1.00 0.00 H new ATOM 0 HE1 HIS A 105 23.417 25.937 -14.718 1.00 0.00 H new ATOM 0 HE2 HIS A 105 23.214 23.501 -14.011 1.00 0.00 H new ATOM 1622 N LEU A 106 21.176 21.835 -18.918 1.00 0.00 N ATOM 1623 CA LEU A 106 22.155 20.763 -19.064 1.00 0.00 C ATOM 1624 C LEU A 106 22.648 20.667 -20.504 1.00 0.00 C ATOM 1625 O LEU A 106 23.817 20.371 -20.752 1.00 0.00 O ATOM 1626 CB LEU A 106 21.547 19.428 -18.631 1.00 0.00 C ATOM 1627 CG LEU A 106 21.569 19.135 -17.130 1.00 0.00 C ATOM 1628 CD1 LEU A 106 20.948 17.777 -16.842 1.00 0.00 C ATOM 1629 CD2 LEU A 106 22.992 19.197 -16.595 1.00 0.00 C ATOM 0 H LEU A 106 20.206 21.520 -18.894 1.00 0.00 H new ATOM 0 HA LEU A 106 23.006 20.993 -18.423 1.00 0.00 H new ATOM 0 HB2 LEU A 106 20.512 19.395 -18.972 1.00 0.00 H new ATOM 0 HB3 LEU A 106 22.077 18.626 -19.145 1.00 0.00 H new ATOM 0 HG LEU A 106 20.978 19.897 -16.622 1.00 0.00 H new ATOM 0 HD11 LEU A 106 20.973 17.586 -15.769 1.00 0.00 H new ATOM 0 HD12 LEU A 106 19.915 17.769 -17.189 1.00 0.00 H new ATOM 0 HD13 LEU A 106 21.511 17.002 -17.362 1.00 0.00 H new ATOM 0 HD21 LEU A 106 22.988 18.986 -15.526 1.00 0.00 H new ATOM 0 HD22 LEU A 106 23.606 18.457 -17.109 1.00 0.00 H new ATOM 0 HD23 LEU A 106 23.402 20.192 -16.767 1.00 0.00 H new ATOM 1641 N ASP A 107 21.749 20.921 -21.449 1.00 0.00 N ATOM 1642 CA ASP A 107 22.093 20.867 -22.865 1.00 0.00 C ATOM 1643 C ASP A 107 23.474 21.465 -23.112 1.00 0.00 C ATOM 1644 O ASP A 107 24.188 21.048 -24.024 1.00 0.00 O ATOM 1645 CB ASP A 107 21.045 21.610 -23.695 1.00 0.00 C ATOM 1646 CG ASP A 107 21.017 21.150 -25.139 1.00 0.00 C ATOM 1647 OD1 ASP A 107 21.282 19.955 -25.385 1.00 0.00 O ATOM 1648 OD2 ASP A 107 20.731 21.985 -26.023 1.00 0.00 O ATOM 0 H ASP A 107 20.777 21.166 -21.260 1.00 0.00 H new ATOM 0 HA ASP A 107 22.111 19.821 -23.170 1.00 0.00 H new ATOM 0 HB2 ASP A 107 20.061 21.461 -23.250 1.00 0.00 H new ATOM 0 HB3 ASP A 107 21.251 22.680 -23.662 1.00 0.00 H new ATOM 1653 N TYR A 108 23.844 22.445 -22.295 1.00 0.00 N ATOM 1654 CA TYR A 108 25.138 23.103 -22.427 1.00 0.00 C ATOM 1655 C TYR A 108 26.253 22.080 -22.617 1.00 0.00 C ATOM 1656 O TYR A 108 27.397 22.438 -22.891 1.00 0.00 O ATOM 1657 CB TYR A 108 25.424 23.964 -21.196 1.00 0.00 C ATOM 1658 CG TYR A 108 26.098 23.209 -20.073 1.00 0.00 C ATOM 1659 CD1 TYR A 108 25.392 22.291 -19.304 1.00 0.00 C ATOM 1660 CD2 TYR A 108 27.441 23.413 -19.780 1.00 0.00 C ATOM 1661 CE1 TYR A 108 26.004 21.599 -18.277 1.00 0.00 C ATOM 1662 CE2 TYR A 108 28.061 22.725 -18.755 1.00 0.00 C ATOM 1663 CZ TYR A 108 27.339 21.819 -18.007 1.00 0.00 C ATOM 1664 OH TYR A 108 27.953 21.132 -16.985 1.00 0.00 O ATOM 0 H TYR A 108 23.266 22.801 -21.534 1.00 0.00 H new ATOM 0 HA TYR A 108 25.103 23.743 -23.309 1.00 0.00 H new ATOM 0 HB2 TYR A 108 26.055 24.803 -21.489 1.00 0.00 H new ATOM 0 HB3 TYR A 108 24.487 24.383 -20.830 1.00 0.00 H new ATOM 0 HD1 TYR A 108 24.347 22.116 -19.513 1.00 0.00 H new ATOM 0 HD2 TYR A 108 28.010 24.122 -20.364 1.00 0.00 H new ATOM 0 HE1 TYR A 108 25.441 20.890 -17.689 1.00 0.00 H new ATOM 0 HE2 TYR A 108 29.106 22.896 -18.541 1.00 0.00 H new ATOM 0 HH TYR A 108 28.893 21.402 -16.928 1.00 0.00 H new TER 1674 TYR A 108