USER MOD reduce.3.24.130724 H: found=0, std=0, add=681, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 683 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 64 ASN : amide:sc= -0.155 X(o=-3.2,f=-2.8) USER MOD Set 1.2: A 83 GLN : amide:sc= -3.03! C(o=-3.2!,f=-4.3!) USER MOD Single : A 12 LYS NZ :NH3+ -121:sc= -0.3 (180deg=-1.44!) USER MOD Single : A 17 LYS NZ :NH3+ 151:sc= -0.129 (180deg=-0.525) USER MOD Single : A 20 HIS : no HE2:sc= -1.97 K(o=-2,f=-1.3) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 161:sc= -0.152 (180deg=-0.419) USER MOD Single : A 33 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 40 SER OG : rot -170:sc= 0 USER MOD Single : A 43 HIS : no HD1:sc= -0.0612 X(o=-0.061,f=-0.01) USER MOD Single : A 46 GLN : amide:sc= -2.18 X(o=-2.2,f=-2.5!) USER MOD Single : A 51 CYS SG : rot 127:sc= 0.0192 USER MOD Single : A 55 HIS : no HD1:sc= -4.69 X(o=-4.7,f=-4.7) USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 THR OG1 : rot 160:sc= -0.956 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 HIS : no HD1:sc= -1.35 K(o=-1.3,f=-0.24) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot 60:sc= 0.834 USER MOD Single : A 81 SER OG : rot -67:sc= 1.23 USER MOD Single : A 82 GLN : amide:sc= -0.0888 X(o=-0.089,f=-0.17) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 9 -15.829 0.888 3.133 1.00 0.00 N ATOM 2 CA PRO A 9 -15.802 0.804 1.646 1.00 0.00 C ATOM 3 C PRO A 9 -14.428 0.376 1.123 1.00 0.00 C ATOM 4 O PRO A 9 -13.479 1.164 1.127 1.00 0.00 O ATOM 5 CB PRO A 9 -16.179 2.180 1.101 1.00 0.00 C ATOM 6 CG PRO A 9 -16.243 3.052 2.309 1.00 0.00 C ATOM 7 CD PRO A 9 -16.522 2.141 3.480 1.00 0.00 C ATOM 0 HA PRO A 9 -16.509 0.046 1.311 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -15.438 2.542 0.388 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -17.136 2.152 0.580 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -15.305 3.589 2.450 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -17.027 3.802 2.205 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -16.143 2.562 4.411 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -17.592 1.981 3.615 1.00 0.00 H new ATOM 17 N ILE A 10 -14.331 -0.876 0.678 1.00 0.00 N ATOM 18 CA ILE A 10 -13.076 -1.410 0.153 1.00 0.00 C ATOM 19 C ILE A 10 -12.956 -1.167 -1.353 1.00 0.00 C ATOM 20 O ILE A 10 -13.836 -1.551 -2.128 1.00 0.00 O ATOM 21 CB ILE A 10 -12.930 -2.922 0.449 1.00 0.00 C ATOM 22 CG1 ILE A 10 -11.557 -3.427 -0.009 1.00 0.00 C ATOM 23 CG2 ILE A 10 -14.044 -3.719 -0.218 1.00 0.00 C ATOM 24 CD1 ILE A 10 -11.043 -4.604 0.792 1.00 0.00 C ATOM 0 H ILE A 10 -15.106 -1.539 0.671 1.00 0.00 H new ATOM 0 HA ILE A 10 -12.271 -0.879 0.662 1.00 0.00 H new ATOM 0 HB ILE A 10 -13.011 -3.066 1.526 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -11.616 -3.712 -1.059 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -10.838 -2.611 0.060 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -13.918 -4.778 0.006 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -15.009 -3.381 0.159 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -14.003 -3.569 -1.297 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -10.068 -4.906 0.410 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -10.950 -4.318 1.840 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -11.741 -5.437 0.703 1.00 0.00 H new ATOM 36 N ARG A 11 -11.861 -0.525 -1.757 1.00 0.00 N ATOM 37 CA ARG A 11 -11.617 -0.227 -3.165 1.00 0.00 C ATOM 38 C ARG A 11 -10.275 -0.797 -3.623 1.00 0.00 C ATOM 39 O ARG A 11 -9.354 -0.969 -2.822 1.00 0.00 O ATOM 40 CB ARG A 11 -11.650 1.287 -3.401 1.00 0.00 C ATOM 41 CG ARG A 11 -12.179 1.678 -4.772 1.00 0.00 C ATOM 42 CD ARG A 11 -13.700 1.662 -4.809 1.00 0.00 C ATOM 43 NE ARG A 11 -14.222 2.092 -6.106 1.00 0.00 N ATOM 44 CZ ARG A 11 -15.480 2.492 -6.312 1.00 0.00 C ATOM 45 NH1 ARG A 11 -16.357 2.512 -5.311 1.00 0.00 N ATOM 46 NH2 ARG A 11 -15.863 2.872 -7.526 1.00 0.00 N ATOM 0 H ARG A 11 -11.128 -0.201 -1.126 1.00 0.00 H new ATOM 0 HA ARG A 11 -12.407 -0.698 -3.750 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -12.271 1.752 -2.635 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -10.643 1.687 -3.282 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -11.818 2.673 -5.032 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -11.789 0.991 -5.523 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -14.057 0.656 -4.590 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -14.088 2.315 -4.027 1.00 0.00 H new ATOM 0 HE ARG A 11 -13.586 2.086 -6.903 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -16.071 2.220 -4.376 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -17.315 2.819 -5.478 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -15.197 2.858 -8.299 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -16.823 3.178 -7.686 1.00 0.00 H new ATOM 60 N LYS A 12 -10.176 -1.085 -4.922 1.00 0.00 N ATOM 61 CA LYS A 12 -8.954 -1.633 -5.505 1.00 0.00 C ATOM 62 C LYS A 12 -8.340 -0.643 -6.492 1.00 0.00 C ATOM 63 O LYS A 12 -8.978 -0.263 -7.476 1.00 0.00 O ATOM 64 CB LYS A 12 -9.250 -2.961 -6.210 1.00 0.00 C ATOM 65 CG LYS A 12 -9.506 -4.120 -5.257 1.00 0.00 C ATOM 66 CD LYS A 12 -10.937 -4.117 -4.736 1.00 0.00 C ATOM 67 CE LYS A 12 -11.936 -4.475 -5.829 1.00 0.00 C ATOM 68 NZ LYS A 12 -12.575 -3.267 -6.429 1.00 0.00 N ATOM 0 H LYS A 12 -10.933 -0.946 -5.592 1.00 0.00 H new ATOM 0 HA LYS A 12 -8.240 -1.811 -4.701 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -10.120 -2.834 -6.854 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -8.409 -3.213 -6.856 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -9.307 -5.062 -5.768 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -8.813 -4.060 -4.418 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -11.026 -4.828 -3.914 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -11.176 -3.133 -4.333 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -11.429 -5.041 -6.610 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -12.708 -5.124 -5.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -13.606 -3.321 -6.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -12.213 -2.413 -5.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -12.352 -3.224 -7.444 1.00 0.00 H new ATOM 82 N VAL A 13 -7.104 -0.223 -6.221 1.00 0.00 N ATOM 83 CA VAL A 13 -6.406 0.731 -7.084 1.00 0.00 C ATOM 84 C VAL A 13 -5.009 0.237 -7.459 1.00 0.00 C ATOM 85 O VAL A 13 -4.262 -0.240 -6.605 1.00 0.00 O ATOM 86 CB VAL A 13 -6.274 2.117 -6.414 1.00 0.00 C ATOM 87 CG1 VAL A 13 -7.599 2.865 -6.461 1.00 0.00 C ATOM 88 CG2 VAL A 13 -5.778 1.986 -4.979 1.00 0.00 C ATOM 0 H VAL A 13 -6.565 -0.528 -5.411 1.00 0.00 H new ATOM 0 HA VAL A 13 -7.012 0.821 -7.986 1.00 0.00 H new ATOM 0 HB VAL A 13 -5.536 2.693 -6.973 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -7.484 3.838 -5.984 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -7.902 3.003 -7.499 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -8.360 2.290 -5.934 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -5.694 2.976 -4.531 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -6.483 1.386 -4.404 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -4.801 1.502 -4.974 1.00 0.00 H new ATOM 98 N LEU A 14 -4.656 0.368 -8.738 1.00 0.00 N ATOM 99 CA LEU A 14 -3.341 -0.056 -9.215 1.00 0.00 C ATOM 100 C LEU A 14 -2.399 1.138 -9.368 1.00 0.00 C ATOM 101 O LEU A 14 -2.790 2.190 -9.878 1.00 0.00 O ATOM 102 CB LEU A 14 -3.458 -0.814 -10.545 1.00 0.00 C ATOM 103 CG LEU A 14 -4.075 -0.025 -11.706 1.00 0.00 C ATOM 104 CD1 LEU A 14 -3.359 -0.344 -13.012 1.00 0.00 C ATOM 105 CD2 LEU A 14 -5.563 -0.326 -11.825 1.00 0.00 C ATOM 0 H LEU A 14 -5.260 0.763 -9.459 1.00 0.00 H new ATOM 0 HA LEU A 14 -2.921 -0.730 -8.468 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.463 -1.145 -10.843 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -4.056 -1.710 -10.380 1.00 0.00 H new ATOM 0 HG LEU A 14 -3.954 1.039 -11.500 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -3.812 0.226 -13.824 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.306 -0.077 -12.924 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -3.446 -1.410 -13.224 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -5.984 0.243 -12.654 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -5.705 -1.391 -12.006 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -6.066 -0.045 -10.900 1.00 0.00 H new ATOM 117 N LEU A 15 -1.156 0.963 -8.922 1.00 0.00 N ATOM 118 CA LEU A 15 -0.147 2.015 -9.003 1.00 0.00 C ATOM 119 C LEU A 15 0.963 1.624 -9.975 1.00 0.00 C ATOM 120 O LEU A 15 1.590 0.572 -9.828 1.00 0.00 O ATOM 121 CB LEU A 15 0.443 2.293 -7.615 1.00 0.00 C ATOM 122 CG LEU A 15 -0.272 3.383 -6.808 1.00 0.00 C ATOM 123 CD1 LEU A 15 -1.562 2.845 -6.201 1.00 0.00 C ATOM 124 CD2 LEU A 15 0.644 3.930 -5.721 1.00 0.00 C ATOM 0 H LEU A 15 -0.823 0.097 -8.499 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.627 2.922 -9.372 1.00 0.00 H new ATOM 0 HB2 LEU A 15 0.427 1.368 -7.039 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.489 2.577 -7.733 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.528 4.198 -7.485 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -2.054 3.635 -5.633 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.224 2.505 -6.997 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.332 2.010 -5.539 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.120 4.703 -5.158 1.00 0.00 H new ATOM 0 HD22 LEU A 15 0.932 3.123 -5.048 1.00 0.00 H new ATOM 0 HD23 LEU A 15 1.537 4.357 -6.178 1.00 0.00 H new ATOM 136 N LEU A 16 1.199 2.478 -10.970 1.00 0.00 N ATOM 137 CA LEU A 16 2.233 2.228 -11.970 1.00 0.00 C ATOM 138 C LEU A 16 3.471 3.074 -11.689 1.00 0.00 C ATOM 139 O LEU A 16 3.420 4.304 -11.754 1.00 0.00 O ATOM 140 CB LEU A 16 1.701 2.528 -13.375 1.00 0.00 C ATOM 141 CG LEU A 16 2.231 1.611 -14.480 1.00 0.00 C ATOM 142 CD1 LEU A 16 1.548 1.920 -15.805 1.00 0.00 C ATOM 143 CD2 LEU A 16 3.743 1.747 -14.610 1.00 0.00 C ATOM 0 H LEU A 16 0.687 3.350 -11.104 1.00 0.00 H new ATOM 0 HA LEU A 16 2.512 1.176 -11.915 1.00 0.00 H new ATOM 0 HB2 LEU A 16 0.613 2.458 -13.357 1.00 0.00 H new ATOM 0 HB3 LEU A 16 1.950 3.558 -13.629 1.00 0.00 H new ATOM 0 HG LEU A 16 2.003 0.580 -14.210 1.00 0.00 H new ATOM 0 HD11 LEU A 16 1.938 1.258 -16.578 1.00 0.00 H new ATOM 0 HD12 LEU A 16 0.473 1.768 -15.705 1.00 0.00 H new ATOM 0 HD13 LEU A 16 1.743 2.956 -16.082 1.00 0.00 H new ATOM 0 HD21 LEU A 16 4.101 1.087 -15.400 1.00 0.00 H new ATOM 0 HD22 LEU A 16 3.996 2.778 -14.856 1.00 0.00 H new ATOM 0 HD23 LEU A 16 4.215 1.473 -13.667 1.00 0.00 H new ATOM 155 N LYS A 17 4.580 2.408 -11.377 1.00 0.00 N ATOM 156 CA LYS A 17 5.833 3.100 -11.087 1.00 0.00 C ATOM 157 C LYS A 17 6.984 2.519 -11.905 1.00 0.00 C ATOM 158 O LYS A 17 7.145 1.300 -11.991 1.00 0.00 O ATOM 159 CB LYS A 17 6.157 3.017 -9.591 1.00 0.00 C ATOM 160 CG LYS A 17 6.160 1.599 -9.039 1.00 0.00 C ATOM 161 CD LYS A 17 6.850 1.527 -7.685 1.00 0.00 C ATOM 162 CE LYS A 17 7.709 0.276 -7.558 1.00 0.00 C ATOM 163 NZ LYS A 17 8.821 0.259 -8.551 1.00 0.00 N ATOM 0 H LYS A 17 4.637 1.391 -11.319 1.00 0.00 H new ATOM 0 HA LYS A 17 5.709 4.147 -11.365 1.00 0.00 H new ATOM 0 HB2 LYS A 17 7.134 3.467 -9.415 1.00 0.00 H new ATOM 0 HB3 LYS A 17 5.429 3.610 -9.038 1.00 0.00 H new ATOM 0 HG2 LYS A 17 5.134 1.242 -8.945 1.00 0.00 H new ATOM 0 HG3 LYS A 17 6.665 0.936 -9.741 1.00 0.00 H new ATOM 0 HD2 LYS A 17 7.472 2.411 -7.546 1.00 0.00 H new ATOM 0 HD3 LYS A 17 6.101 1.536 -6.893 1.00 0.00 H new ATOM 0 HE2 LYS A 17 8.122 0.220 -6.551 1.00 0.00 H new ATOM 0 HE3 LYS A 17 7.086 -0.607 -7.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 9.624 -0.276 -8.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 8.495 -0.193 -9.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 9.120 1.234 -8.754 1.00 0.00 H new ATOM 177 N GLU A 18 7.784 3.403 -12.498 1.00 0.00 N ATOM 178 CA GLU A 18 8.928 2.987 -13.307 1.00 0.00 C ATOM 179 C GLU A 18 10.188 2.874 -12.451 1.00 0.00 C ATOM 180 O GLU A 18 10.187 3.249 -11.277 1.00 0.00 O ATOM 181 CB GLU A 18 9.165 3.984 -14.445 1.00 0.00 C ATOM 182 CG GLU A 18 8.215 3.807 -15.618 1.00 0.00 C ATOM 183 CD GLU A 18 8.598 4.659 -16.814 1.00 0.00 C ATOM 184 OE1 GLU A 18 9.737 4.515 -17.308 1.00 0.00 O ATOM 185 OE2 GLU A 18 7.761 5.474 -17.253 1.00 0.00 O ATOM 0 H GLU A 18 7.661 4.413 -12.433 1.00 0.00 H new ATOM 0 HA GLU A 18 8.704 2.007 -13.729 1.00 0.00 H new ATOM 0 HB2 GLU A 18 9.063 4.997 -14.056 1.00 0.00 H new ATOM 0 HB3 GLU A 18 10.190 3.880 -14.800 1.00 0.00 H new ATOM 0 HG2 GLU A 18 8.201 2.758 -15.914 1.00 0.00 H new ATOM 0 HG3 GLU A 18 7.203 4.063 -15.303 1.00 0.00 H new ATOM 192 N ASP A 19 11.263 2.360 -13.050 1.00 0.00 N ATOM 193 CA ASP A 19 12.538 2.203 -12.348 1.00 0.00 C ATOM 194 C ASP A 19 13.019 3.542 -11.788 1.00 0.00 C ATOM 195 O ASP A 19 13.588 3.597 -10.697 1.00 0.00 O ATOM 196 CB ASP A 19 13.599 1.624 -13.288 1.00 0.00 C ATOM 197 CG ASP A 19 13.518 0.113 -13.394 1.00 0.00 C ATOM 198 OD1 ASP A 19 12.595 -0.387 -14.070 1.00 0.00 O ATOM 199 OD2 ASP A 19 14.382 -0.569 -12.803 1.00 0.00 O ATOM 0 H ASP A 19 11.276 2.045 -14.020 1.00 0.00 H new ATOM 0 HA ASP A 19 12.382 1.513 -11.519 1.00 0.00 H new ATOM 0 HB2 ASP A 19 13.480 2.062 -14.279 1.00 0.00 H new ATOM 0 HB3 ASP A 19 14.589 1.908 -12.932 1.00 0.00 H new ATOM 204 N HIS A 20 12.782 4.618 -12.541 1.00 0.00 N ATOM 205 CA HIS A 20 13.187 5.956 -12.114 1.00 0.00 C ATOM 206 C HIS A 20 12.265 6.491 -11.012 1.00 0.00 C ATOM 207 O HIS A 20 12.701 7.262 -10.154 1.00 0.00 O ATOM 208 CB HIS A 20 13.211 6.922 -13.308 1.00 0.00 C ATOM 209 CG HIS A 20 11.867 7.181 -13.925 1.00 0.00 C ATOM 210 ND1 HIS A 20 11.086 8.270 -13.597 1.00 0.00 N ATOM 211 CD2 HIS A 20 11.175 6.496 -14.868 1.00 0.00 C ATOM 212 CE1 HIS A 20 9.974 8.243 -14.310 1.00 0.00 C ATOM 213 NE2 HIS A 20 10.003 7.178 -15.088 1.00 0.00 N ATOM 0 H HIS A 20 12.313 4.588 -13.446 1.00 0.00 H new ATOM 0 HA HIS A 20 14.195 5.883 -11.704 1.00 0.00 H new ATOM 0 HB2 HIS A 20 13.637 7.871 -12.983 1.00 0.00 H new ATOM 0 HB3 HIS A 20 13.876 6.519 -14.072 1.00 0.00 H new ATOM 0 HD1 HIS A 20 11.329 8.985 -12.911 1.00 0.00 H new ATOM 0 HD2 HIS A 20 11.487 5.584 -15.355 1.00 0.00 H new ATOM 0 HE1 HIS A 20 9.176 8.970 -14.264 1.00 0.00 H new ATOM 222 N GLU A 21 10.992 6.080 -11.039 1.00 0.00 N ATOM 223 CA GLU A 21 10.012 6.521 -10.042 1.00 0.00 C ATOM 224 C GLU A 21 10.160 5.741 -8.733 1.00 0.00 C ATOM 225 O GLU A 21 11.014 4.859 -8.615 1.00 0.00 O ATOM 226 CB GLU A 21 8.586 6.358 -10.580 1.00 0.00 C ATOM 227 CG GLU A 21 8.321 7.126 -11.866 1.00 0.00 C ATOM 228 CD GLU A 21 6.852 7.451 -12.072 1.00 0.00 C ATOM 229 OE1 GLU A 21 6.181 7.841 -11.091 1.00 0.00 O ATOM 230 OE2 GLU A 21 6.374 7.319 -13.217 1.00 0.00 O ATOM 0 H GLU A 21 10.617 5.442 -11.741 1.00 0.00 H new ATOM 0 HA GLU A 21 10.202 7.575 -9.840 1.00 0.00 H new ATOM 0 HB2 GLU A 21 8.393 5.300 -10.754 1.00 0.00 H new ATOM 0 HB3 GLU A 21 7.881 6.690 -9.818 1.00 0.00 H new ATOM 0 HG2 GLU A 21 8.894 8.053 -11.853 1.00 0.00 H new ATOM 0 HG3 GLU A 21 8.680 6.541 -12.713 1.00 0.00 H new ATOM 237 N GLY A 22 9.318 6.076 -7.750 1.00 0.00 N ATOM 238 CA GLY A 22 9.366 5.404 -6.460 1.00 0.00 C ATOM 239 C GLY A 22 7.994 4.980 -5.959 1.00 0.00 C ATOM 240 O GLY A 22 7.141 4.562 -6.745 1.00 0.00 O ATOM 0 H GLY A 22 8.605 6.801 -7.827 1.00 0.00 H new ATOM 0 HA2 GLY A 22 10.006 4.525 -6.538 1.00 0.00 H new ATOM 0 HA3 GLY A 22 9.825 6.068 -5.728 1.00 0.00 H new ATOM 244 N LEU A 23 7.789 5.081 -4.644 1.00 0.00 N ATOM 245 CA LEU A 23 6.517 4.698 -4.023 1.00 0.00 C ATOM 246 C LEU A 23 5.477 5.814 -4.148 1.00 0.00 C ATOM 247 O LEU A 23 4.473 5.658 -4.846 1.00 0.00 O ATOM 248 CB LEU A 23 6.728 4.335 -2.545 1.00 0.00 C ATOM 249 CG LEU A 23 6.157 2.978 -2.122 1.00 0.00 C ATOM 250 CD1 LEU A 23 7.093 2.285 -1.142 1.00 0.00 C ATOM 251 CD2 LEU A 23 4.773 3.146 -1.510 1.00 0.00 C ATOM 0 H LEU A 23 8.489 5.425 -3.986 1.00 0.00 H new ATOM 0 HA LEU A 23 6.140 3.823 -4.553 1.00 0.00 H new ATOM 0 HB2 LEU A 23 7.797 4.344 -2.334 1.00 0.00 H new ATOM 0 HB3 LEU A 23 6.275 5.111 -1.928 1.00 0.00 H new ATOM 0 HG LEU A 23 6.066 2.353 -3.011 1.00 0.00 H new ATOM 0 HD11 LEU A 23 6.670 1.323 -0.853 1.00 0.00 H new ATOM 0 HD12 LEU A 23 8.063 2.128 -1.614 1.00 0.00 H new ATOM 0 HD13 LEU A 23 7.217 2.907 -0.256 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.384 2.171 -1.216 1.00 0.00 H new ATOM 0 HD22 LEU A 23 4.839 3.790 -0.633 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.104 3.598 -2.242 1.00 0.00 H new ATOM 263 N GLY A 24 5.721 6.936 -3.469 1.00 0.00 N ATOM 264 CA GLY A 24 4.793 8.056 -3.521 1.00 0.00 C ATOM 265 C GLY A 24 3.967 8.223 -2.253 1.00 0.00 C ATOM 266 O GLY A 24 3.364 9.275 -2.045 1.00 0.00 O ATOM 0 H GLY A 24 6.543 7.088 -2.885 1.00 0.00 H new ATOM 0 HA2 GLY A 24 5.353 8.973 -3.703 1.00 0.00 H new ATOM 0 HA3 GLY A 24 4.120 7.920 -4.368 1.00 0.00 H new ATOM 270 N ILE A 25 3.935 7.194 -1.403 1.00 0.00 N ATOM 271 CA ILE A 25 3.172 7.252 -0.155 1.00 0.00 C ATOM 272 C ILE A 25 3.928 6.576 0.988 1.00 0.00 C ATOM 273 O ILE A 25 4.802 5.738 0.757 1.00 0.00 O ATOM 274 CB ILE A 25 1.782 6.591 -0.300 1.00 0.00 C ATOM 275 CG1 ILE A 25 1.913 5.166 -0.848 1.00 0.00 C ATOM 276 CG2 ILE A 25 0.879 7.429 -1.195 1.00 0.00 C ATOM 277 CD1 ILE A 25 1.829 4.099 0.222 1.00 0.00 C ATOM 0 H ILE A 25 4.427 6.314 -1.556 1.00 0.00 H new ATOM 0 HA ILE A 25 3.036 8.309 0.075 1.00 0.00 H new ATOM 0 HB ILE A 25 1.327 6.535 0.689 1.00 0.00 H new ATOM 0 HG12 ILE A 25 1.127 4.994 -1.584 1.00 0.00 H new ATOM 0 HG13 ILE A 25 2.865 5.072 -1.370 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -0.094 6.946 -1.284 1.00 0.00 H new ATOM 0 HG22 ILE A 25 0.754 8.420 -0.760 1.00 0.00 H new ATOM 0 HG23 ILE A 25 1.330 7.521 -2.183 1.00 0.00 H new ATOM 0 HD11 ILE A 25 1.929 3.115 -0.237 1.00 0.00 H new ATOM 0 HD12 ILE A 25 2.631 4.246 0.946 1.00 0.00 H new ATOM 0 HD13 ILE A 25 0.866 4.167 0.729 1.00 0.00 H new ATOM 289 N SER A 26 3.584 6.948 2.221 1.00 0.00 N ATOM 290 CA SER A 26 4.223 6.383 3.407 1.00 0.00 C ATOM 291 C SER A 26 3.228 5.567 4.234 1.00 0.00 C ATOM 292 O SER A 26 2.084 5.982 4.434 1.00 0.00 O ATOM 293 CB SER A 26 4.824 7.500 4.264 1.00 0.00 C ATOM 294 OG SER A 26 5.844 7.002 5.112 1.00 0.00 O ATOM 0 H SER A 26 2.863 7.641 2.424 1.00 0.00 H new ATOM 0 HA SER A 26 5.019 5.716 3.077 1.00 0.00 H new ATOM 0 HB2 SER A 26 5.232 8.278 3.619 1.00 0.00 H new ATOM 0 HB3 SER A 26 4.041 7.962 4.865 1.00 0.00 H new ATOM 0 HG SER A 26 6.212 7.736 5.647 1.00 0.00 H new ATOM 300 N ILE A 27 3.674 4.405 4.714 1.00 0.00 N ATOM 301 CA ILE A 27 2.825 3.527 5.520 1.00 0.00 C ATOM 302 C ILE A 27 3.369 3.372 6.940 1.00 0.00 C ATOM 303 O ILE A 27 4.577 3.470 7.169 1.00 0.00 O ATOM 304 CB ILE A 27 2.679 2.128 4.881 1.00 0.00 C ATOM 305 CG1 ILE A 27 4.054 1.528 4.567 1.00 0.00 C ATOM 306 CG2 ILE A 27 1.828 2.206 3.621 1.00 0.00 C ATOM 307 CD1 ILE A 27 4.024 0.032 4.338 1.00 0.00 C ATOM 0 H ILE A 27 4.618 4.050 4.559 1.00 0.00 H new ATOM 0 HA ILE A 27 1.844 4.001 5.561 1.00 0.00 H new ATOM 0 HB ILE A 27 2.179 1.475 5.596 1.00 0.00 H new ATOM 0 HG12 ILE A 27 4.460 2.015 3.680 1.00 0.00 H new ATOM 0 HG13 ILE A 27 4.734 1.748 5.390 1.00 0.00 H new ATOM 0 HG21 ILE A 27 1.735 1.212 3.183 1.00 0.00 H new ATOM 0 HG22 ILE A 27 0.838 2.586 3.874 1.00 0.00 H new ATOM 0 HG23 ILE A 27 2.301 2.876 2.903 1.00 0.00 H new ATOM 0 HD11 ILE A 27 5.031 -0.323 4.121 1.00 0.00 H new ATOM 0 HD12 ILE A 27 3.649 -0.466 5.232 1.00 0.00 H new ATOM 0 HD13 ILE A 27 3.370 -0.194 3.496 1.00 0.00 H new ATOM 319 N THR A 28 2.466 3.126 7.890 1.00 0.00 N ATOM 320 CA THR A 28 2.848 2.956 9.290 1.00 0.00 C ATOM 321 C THR A 28 1.983 1.893 9.971 1.00 0.00 C ATOM 322 O THR A 28 0.795 1.752 9.664 1.00 0.00 O ATOM 323 CB THR A 28 2.743 4.293 10.035 1.00 0.00 C ATOM 324 OG1 THR A 28 3.100 4.141 11.399 1.00 0.00 O ATOM 325 CG2 THR A 28 1.359 4.907 9.986 1.00 0.00 C ATOM 0 H THR A 28 1.465 3.040 7.714 1.00 0.00 H new ATOM 0 HA THR A 28 3.883 2.617 9.322 1.00 0.00 H new ATOM 0 HB THR A 28 3.433 4.960 9.519 1.00 0.00 H new ATOM 0 HG1 THR A 28 3.028 5.006 11.854 1.00 0.00 H new ATOM 0 HG21 THR A 28 1.360 5.850 10.533 1.00 0.00 H new ATOM 0 HG22 THR A 28 1.079 5.090 8.949 1.00 0.00 H new ATOM 0 HG23 THR A 28 0.642 4.224 10.441 1.00 0.00 H new ATOM 333 N GLY A 29 2.592 1.143 10.891 1.00 0.00 N ATOM 334 CA GLY A 29 1.877 0.094 11.602 1.00 0.00 C ATOM 335 C GLY A 29 2.619 -1.232 11.579 1.00 0.00 C ATOM 336 O GLY A 29 3.759 -1.302 11.114 1.00 0.00 O ATOM 0 H GLY A 29 3.572 1.245 11.156 1.00 0.00 H new ATOM 0 HA2 GLY A 29 1.720 0.402 12.636 1.00 0.00 H new ATOM 0 HA3 GLY A 29 0.891 -0.037 11.156 1.00 0.00 H new ATOM 340 N GLY A 30 1.973 -2.287 12.080 1.00 0.00 N ATOM 341 CA GLY A 30 2.596 -3.602 12.102 1.00 0.00 C ATOM 342 C GLY A 30 1.685 -4.665 12.686 1.00 0.00 C ATOM 343 O GLY A 30 1.315 -4.594 13.859 1.00 0.00 O ATOM 0 H GLY A 30 1.031 -2.253 12.470 1.00 0.00 H new ATOM 0 HA2 GLY A 30 2.876 -3.885 11.087 1.00 0.00 H new ATOM 0 HA3 GLY A 30 3.516 -3.555 12.685 1.00 0.00 H new ATOM 347 N LYS A 31 1.318 -5.650 11.863 1.00 0.00 N ATOM 348 CA LYS A 31 0.437 -6.737 12.297 1.00 0.00 C ATOM 349 C LYS A 31 0.948 -7.406 13.576 1.00 0.00 C ATOM 350 O LYS A 31 0.157 -7.780 14.444 1.00 0.00 O ATOM 351 CB LYS A 31 0.294 -7.779 11.186 1.00 0.00 C ATOM 352 CG LYS A 31 -0.984 -8.596 11.280 1.00 0.00 C ATOM 353 CD LYS A 31 -2.197 -7.790 10.840 1.00 0.00 C ATOM 354 CE LYS A 31 -3.487 -8.389 11.381 1.00 0.00 C ATOM 355 NZ LYS A 31 -4.628 -7.435 11.294 1.00 0.00 N ATOM 0 H LYS A 31 1.618 -5.717 10.890 1.00 0.00 H new ATOM 0 HA LYS A 31 -0.538 -6.301 12.514 1.00 0.00 H new ATOM 0 HB2 LYS A 31 0.323 -7.275 10.220 1.00 0.00 H new ATOM 0 HB3 LYS A 31 1.150 -8.453 11.219 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -0.894 -9.487 10.659 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -1.125 -8.936 12.306 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -2.098 -6.762 11.187 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -2.238 -7.756 9.751 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -3.728 -9.294 10.823 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -3.341 -8.685 12.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -5.524 -7.959 11.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -4.568 -6.750 12.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -4.589 -6.929 10.386 1.00 0.00 H new ATOM 369 N GLU A 32 2.271 -7.550 13.689 1.00 0.00 N ATOM 370 CA GLU A 32 2.885 -8.165 14.868 1.00 0.00 C ATOM 371 C GLU A 32 2.528 -7.389 16.141 1.00 0.00 C ATOM 372 O GLU A 32 2.414 -7.970 17.221 1.00 0.00 O ATOM 373 CB GLU A 32 4.407 -8.231 14.696 1.00 0.00 C ATOM 374 CG GLU A 32 5.135 -8.872 15.871 1.00 0.00 C ATOM 375 CD GLU A 32 6.647 -8.769 15.765 1.00 0.00 C ATOM 376 OE1 GLU A 32 7.147 -7.714 15.316 1.00 0.00 O ATOM 377 OE2 GLU A 32 7.332 -9.744 16.136 1.00 0.00 O ATOM 0 H GLU A 32 2.937 -7.249 12.978 1.00 0.00 H new ATOM 0 HA GLU A 32 2.494 -9.178 14.968 1.00 0.00 H new ATOM 0 HB2 GLU A 32 4.636 -8.792 13.790 1.00 0.00 H new ATOM 0 HB3 GLU A 32 4.790 -7.221 14.551 1.00 0.00 H new ATOM 0 HG2 GLU A 32 4.809 -8.396 16.796 1.00 0.00 H new ATOM 0 HG3 GLU A 32 4.852 -9.923 15.936 1.00 0.00 H new ATOM 384 N HIS A 33 2.340 -6.075 16.002 1.00 0.00 N ATOM 385 CA HIS A 33 1.981 -5.219 17.131 1.00 0.00 C ATOM 386 C HIS A 33 0.527 -5.454 17.556 1.00 0.00 C ATOM 387 O HIS A 33 0.189 -5.324 18.733 1.00 0.00 O ATOM 388 CB HIS A 33 2.198 -3.745 16.763 1.00 0.00 C ATOM 389 CG HIS A 33 1.802 -2.782 17.841 1.00 0.00 C ATOM 390 ND1 HIS A 33 2.591 -2.510 18.939 1.00 0.00 N ATOM 391 CD2 HIS A 33 0.692 -2.020 17.978 1.00 0.00 C ATOM 392 CE1 HIS A 33 1.983 -1.621 19.705 1.00 0.00 C ATOM 393 NE2 HIS A 33 0.830 -1.308 19.144 1.00 0.00 N ATOM 0 H HIS A 33 2.431 -5.581 15.115 1.00 0.00 H new ATOM 0 HA HIS A 33 2.624 -5.473 17.973 1.00 0.00 H new ATOM 0 HB2 HIS A 33 3.250 -3.592 16.523 1.00 0.00 H new ATOM 0 HB3 HIS A 33 1.629 -3.519 15.861 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -0.146 -1.979 17.298 1.00 0.00 H new ATOM 0 HE1 HIS A 33 2.365 -1.219 20.632 1.00 0.00 H new ATOM 0 HE2 HIS A 33 0.151 -0.644 19.517 1.00 0.00 H new ATOM 402 N GLY A 34 -0.328 -5.804 16.590 1.00 0.00 N ATOM 403 CA GLY A 34 -1.731 -6.053 16.885 1.00 0.00 C ATOM 404 C GLY A 34 -2.674 -5.446 15.857 1.00 0.00 C ATOM 405 O GLY A 34 -3.808 -5.904 15.707 1.00 0.00 O ATOM 0 H GLY A 34 -0.071 -5.919 15.609 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -1.900 -7.129 16.934 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -1.967 -5.648 17.869 1.00 0.00 H new ATOM 409 N VAL A 35 -2.210 -4.414 15.150 1.00 0.00 N ATOM 410 CA VAL A 35 -3.024 -3.747 14.136 1.00 0.00 C ATOM 411 C VAL A 35 -2.343 -3.782 12.765 1.00 0.00 C ATOM 412 O VAL A 35 -1.114 -3.777 12.672 1.00 0.00 O ATOM 413 CB VAL A 35 -3.310 -2.279 14.519 1.00 0.00 C ATOM 414 CG1 VAL A 35 -4.185 -2.214 15.761 1.00 0.00 C ATOM 415 CG2 VAL A 35 -2.012 -1.508 14.733 1.00 0.00 C ATOM 0 H VAL A 35 -1.275 -4.023 15.262 1.00 0.00 H new ATOM 0 HA VAL A 35 -3.967 -4.291 14.082 1.00 0.00 H new ATOM 0 HB VAL A 35 -3.847 -1.811 13.694 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -4.377 -1.172 16.017 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -5.131 -2.720 15.567 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -3.676 -2.704 16.591 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -2.241 -0.477 15.002 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -1.440 -1.974 15.536 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -1.425 -1.522 13.815 1.00 0.00 H new ATOM 425 N PRO A 36 -3.137 -3.804 11.678 1.00 0.00 N ATOM 426 CA PRO A 36 -2.606 -3.828 10.309 1.00 0.00 C ATOM 427 C PRO A 36 -1.911 -2.519 9.934 1.00 0.00 C ATOM 428 O PRO A 36 -2.175 -1.473 10.529 1.00 0.00 O ATOM 429 CB PRO A 36 -3.848 -4.048 9.441 1.00 0.00 C ATOM 430 CG PRO A 36 -4.986 -3.550 10.264 1.00 0.00 C ATOM 431 CD PRO A 36 -4.611 -3.799 11.699 1.00 0.00 C ATOM 0 HA PRO A 36 -1.846 -4.599 10.182 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -3.773 -3.503 8.500 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -3.973 -5.101 9.191 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -5.159 -2.489 10.086 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -5.908 -4.071 10.007 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -5.000 -3.021 12.356 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -5.010 -4.748 12.059 1.00 0.00 H new ATOM 439 N ILE A 37 -1.021 -2.584 8.945 1.00 0.00 N ATOM 440 CA ILE A 37 -0.292 -1.401 8.498 1.00 0.00 C ATOM 441 C ILE A 37 -1.138 -0.586 7.523 1.00 0.00 C ATOM 442 O ILE A 37 -1.690 -1.130 6.564 1.00 0.00 O ATOM 443 CB ILE A 37 1.047 -1.776 7.821 1.00 0.00 C ATOM 444 CG1 ILE A 37 1.819 -2.793 8.672 1.00 0.00 C ATOM 445 CG2 ILE A 37 1.891 -0.531 7.585 1.00 0.00 C ATOM 446 CD1 ILE A 37 1.640 -4.227 8.220 1.00 0.00 C ATOM 0 H ILE A 37 -0.789 -3.440 8.441 1.00 0.00 H new ATOM 0 HA ILE A 37 -0.076 -0.804 9.384 1.00 0.00 H new ATOM 0 HB ILE A 37 0.826 -2.234 6.857 1.00 0.00 H new ATOM 0 HG12 ILE A 37 2.880 -2.543 8.647 1.00 0.00 H new ATOM 0 HG13 ILE A 37 1.495 -2.705 9.709 1.00 0.00 H new ATOM 0 HG21 ILE A 37 2.830 -0.813 7.108 1.00 0.00 H new ATOM 0 HG22 ILE A 37 1.349 0.159 6.939 1.00 0.00 H new ATOM 0 HG23 ILE A 37 2.100 -0.047 8.539 1.00 0.00 H new ATOM 0 HD11 ILE A 37 2.215 -4.887 8.869 1.00 0.00 H new ATOM 0 HD12 ILE A 37 0.585 -4.496 8.272 1.00 0.00 H new ATOM 0 HD13 ILE A 37 1.991 -4.331 7.193 1.00 0.00 H new ATOM 458 N LEU A 38 -1.247 0.720 7.777 1.00 0.00 N ATOM 459 CA LEU A 38 -2.039 1.605 6.923 1.00 0.00 C ATOM 460 C LEU A 38 -1.236 2.836 6.487 1.00 0.00 C ATOM 461 O LEU A 38 -0.219 3.176 7.096 1.00 0.00 O ATOM 462 CB LEU A 38 -3.323 2.036 7.646 1.00 0.00 C ATOM 463 CG LEU A 38 -3.127 2.630 9.044 1.00 0.00 C ATOM 464 CD1 LEU A 38 -4.118 3.760 9.283 1.00 0.00 C ATOM 465 CD2 LEU A 38 -3.278 1.551 10.108 1.00 0.00 C ATOM 0 H LEU A 38 -0.798 1.186 8.565 1.00 0.00 H new ATOM 0 HA LEU A 38 -2.306 1.047 6.025 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -3.838 2.771 7.027 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -3.981 1.171 7.727 1.00 0.00 H new ATOM 0 HG LEU A 38 -2.118 3.037 9.110 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -3.966 4.172 10.281 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -3.964 4.542 8.540 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -5.135 3.376 9.200 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -3.136 1.991 11.095 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -4.275 1.115 10.045 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -2.531 0.773 9.946 1.00 0.00 H new ATOM 477 N ILE A 39 -1.707 3.497 5.427 1.00 0.00 N ATOM 478 CA ILE A 39 -1.048 4.690 4.896 1.00 0.00 C ATOM 479 C ILE A 39 -1.458 5.936 5.676 1.00 0.00 C ATOM 480 O ILE A 39 -2.644 6.253 5.776 1.00 0.00 O ATOM 481 CB ILE A 39 -1.382 4.911 3.401 1.00 0.00 C ATOM 482 CG1 ILE A 39 -1.181 3.617 2.604 1.00 0.00 C ATOM 483 CG2 ILE A 39 -0.528 6.033 2.821 1.00 0.00 C ATOM 484 CD1 ILE A 39 -1.670 3.701 1.174 1.00 0.00 C ATOM 0 H ILE A 39 -2.547 3.223 4.918 1.00 0.00 H new ATOM 0 HA ILE A 39 0.024 4.525 5.001 1.00 0.00 H new ATOM 0 HB ILE A 39 -2.430 5.201 3.325 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -0.121 3.363 2.602 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -1.702 2.804 3.110 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -0.777 6.173 1.769 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -0.722 6.957 3.366 1.00 0.00 H new ATOM 0 HG23 ILE A 39 0.526 5.772 2.912 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -1.495 2.749 0.673 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -2.737 3.924 1.167 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -1.131 4.491 0.651 1.00 0.00 H new ATOM 496 N SER A 40 -0.467 6.640 6.220 1.00 0.00 N ATOM 497 CA SER A 40 -0.718 7.857 6.988 1.00 0.00 C ATOM 498 C SER A 40 -0.308 9.110 6.208 1.00 0.00 C ATOM 499 O SER A 40 -0.894 10.178 6.394 1.00 0.00 O ATOM 500 CB SER A 40 0.030 7.803 8.321 1.00 0.00 C ATOM 501 OG SER A 40 -0.746 7.152 9.314 1.00 0.00 O ATOM 0 H SER A 40 0.518 6.388 6.143 1.00 0.00 H new ATOM 0 HA SER A 40 -1.790 7.915 7.177 1.00 0.00 H new ATOM 0 HB2 SER A 40 0.975 7.277 8.190 1.00 0.00 H new ATOM 0 HB3 SER A 40 0.271 8.814 8.648 1.00 0.00 H new ATOM 0 HG SER A 40 -0.321 7.267 10.189 1.00 0.00 H new ATOM 507 N GLU A 41 0.702 8.982 5.341 1.00 0.00 N ATOM 508 CA GLU A 41 1.176 10.116 4.551 1.00 0.00 C ATOM 509 C GLU A 41 1.135 9.809 3.055 1.00 0.00 C ATOM 510 O GLU A 41 1.379 8.676 2.635 1.00 0.00 O ATOM 511 CB GLU A 41 2.601 10.494 4.963 1.00 0.00 C ATOM 512 CG GLU A 41 2.860 11.994 4.967 1.00 0.00 C ATOM 513 CD GLU A 41 4.153 12.361 5.671 1.00 0.00 C ATOM 514 OE1 GLU A 41 4.297 12.021 6.864 1.00 0.00 O ATOM 515 OE2 GLU A 41 5.021 12.989 5.028 1.00 0.00 O ATOM 0 H GLU A 41 1.202 8.109 5.171 1.00 0.00 H new ATOM 0 HA GLU A 41 0.509 10.956 4.746 1.00 0.00 H new ATOM 0 HB2 GLU A 41 2.799 10.098 5.959 1.00 0.00 H new ATOM 0 HB3 GLU A 41 3.305 10.015 4.283 1.00 0.00 H new ATOM 0 HG2 GLU A 41 2.895 12.356 3.939 1.00 0.00 H new ATOM 0 HG3 GLU A 41 2.028 12.501 5.455 1.00 0.00 H new ATOM 522 N ILE A 42 0.832 10.835 2.259 1.00 0.00 N ATOM 523 CA ILE A 42 0.763 10.696 0.808 1.00 0.00 C ATOM 524 C ILE A 42 1.561 11.806 0.126 1.00 0.00 C ATOM 525 O ILE A 42 1.209 12.983 0.223 1.00 0.00 O ATOM 526 CB ILE A 42 -0.696 10.736 0.298 1.00 0.00 C ATOM 527 CG1 ILE A 42 -1.573 9.769 1.100 1.00 0.00 C ATOM 528 CG2 ILE A 42 -0.752 10.402 -1.188 1.00 0.00 C ATOM 529 CD1 ILE A 42 -3.025 9.776 0.675 1.00 0.00 C ATOM 0 H ILE A 42 0.630 11.775 2.599 1.00 0.00 H new ATOM 0 HA ILE A 42 1.191 9.725 0.558 1.00 0.00 H new ATOM 0 HB ILE A 42 -1.082 11.746 0.438 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -1.177 8.759 0.994 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -1.511 10.027 2.157 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -1.787 10.435 -1.530 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -0.162 11.129 -1.747 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -0.347 9.403 -1.352 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -3.586 9.068 1.285 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -3.438 10.776 0.807 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -3.098 9.489 -0.374 1.00 0.00 H new ATOM 541 N HIS A 43 2.637 11.424 -0.559 1.00 0.00 N ATOM 542 CA HIS A 43 3.488 12.386 -1.257 1.00 0.00 C ATOM 543 C HIS A 43 2.933 12.691 -2.650 1.00 0.00 C ATOM 544 O HIS A 43 2.885 11.809 -3.510 1.00 0.00 O ATOM 545 CB HIS A 43 4.923 11.855 -1.369 1.00 0.00 C ATOM 546 CG HIS A 43 5.447 11.247 -0.099 1.00 0.00 C ATOM 547 ND1 HIS A 43 5.731 11.988 1.030 1.00 0.00 N ATOM 548 CD2 HIS A 43 5.732 9.961 0.218 1.00 0.00 C ATOM 549 CE1 HIS A 43 6.169 11.185 1.984 1.00 0.00 C ATOM 550 NE2 HIS A 43 6.179 9.950 1.518 1.00 0.00 N ATOM 0 H HIS A 43 2.941 10.454 -0.646 1.00 0.00 H new ATOM 0 HA HIS A 43 3.499 13.309 -0.677 1.00 0.00 H new ATOM 0 HB2 HIS A 43 4.963 11.108 -2.162 1.00 0.00 H new ATOM 0 HB3 HIS A 43 5.580 12.672 -1.668 1.00 0.00 H new ATOM 0 HD2 HIS A 43 5.627 9.104 -0.430 1.00 0.00 H new ATOM 0 HE1 HIS A 43 6.468 11.488 2.977 1.00 0.00 H new ATOM 0 HE2 HIS A 43 6.471 9.122 2.038 1.00 0.00 H new ATOM 559 N PRO A 44 2.496 13.948 -2.886 1.00 0.00 N ATOM 560 CA PRO A 44 1.931 14.372 -4.179 1.00 0.00 C ATOM 561 C PRO A 44 2.930 14.263 -5.331 1.00 0.00 C ATOM 562 O PRO A 44 4.101 13.935 -5.126 1.00 0.00 O ATOM 563 CB PRO A 44 1.549 15.840 -3.948 1.00 0.00 C ATOM 564 CG PRO A 44 1.482 15.997 -2.469 1.00 0.00 C ATOM 565 CD PRO A 44 2.506 15.053 -1.912 1.00 0.00 C ATOM 0 HA PRO A 44 1.094 13.737 -4.471 1.00 0.00 H new ATOM 0 HB2 PRO A 44 2.289 16.513 -4.382 1.00 0.00 H new ATOM 0 HB3 PRO A 44 0.592 16.076 -4.413 1.00 0.00 H new ATOM 0 HG2 PRO A 44 1.696 17.024 -2.175 1.00 0.00 H new ATOM 0 HG3 PRO A 44 0.486 15.759 -2.095 1.00 0.00 H new ATOM 0 HD2 PRO A 44 3.489 15.519 -1.839 1.00 0.00 H new ATOM 0 HD3 PRO A 44 2.240 14.712 -0.911 1.00 0.00 H new ATOM 573 N GLY A 45 2.453 14.540 -6.546 1.00 0.00 N ATOM 574 CA GLY A 45 3.305 14.465 -7.723 1.00 0.00 C ATOM 575 C GLY A 45 3.784 13.049 -7.994 1.00 0.00 C ATOM 576 O GLY A 45 4.910 12.842 -8.450 1.00 0.00 O ATOM 0 H GLY A 45 1.489 14.815 -6.735 1.00 0.00 H new ATOM 0 HA2 GLY A 45 2.757 14.834 -8.590 1.00 0.00 H new ATOM 0 HA3 GLY A 45 4.167 15.119 -7.588 1.00 0.00 H new ATOM 580 N GLN A 46 2.923 12.075 -7.704 1.00 0.00 N ATOM 581 CA GLN A 46 3.243 10.668 -7.906 1.00 0.00 C ATOM 582 C GLN A 46 2.010 9.910 -8.406 1.00 0.00 C ATOM 583 O GLN A 46 0.914 10.473 -8.460 1.00 0.00 O ATOM 584 CB GLN A 46 3.753 10.056 -6.595 1.00 0.00 C ATOM 585 CG GLN A 46 5.181 9.535 -6.686 1.00 0.00 C ATOM 586 CD GLN A 46 6.136 10.250 -5.745 1.00 0.00 C ATOM 587 OE1 GLN A 46 6.956 9.615 -5.080 1.00 0.00 O ATOM 588 NE2 GLN A 46 6.040 11.575 -5.683 1.00 0.00 N ATOM 0 H GLN A 46 1.991 12.240 -7.325 1.00 0.00 H new ATOM 0 HA GLN A 46 4.026 10.587 -8.660 1.00 0.00 H new ATOM 0 HB2 GLN A 46 3.698 10.807 -5.807 1.00 0.00 H new ATOM 0 HB3 GLN A 46 3.094 9.238 -6.304 1.00 0.00 H new ATOM 0 HG2 GLN A 46 5.188 8.469 -6.460 1.00 0.00 H new ATOM 0 HG3 GLN A 46 5.538 9.646 -7.710 1.00 0.00 H new ATOM 0 HE21 GLN A 46 5.347 12.063 -6.250 1.00 0.00 H new ATOM 0 HE22 GLN A 46 6.659 12.103 -5.068 1.00 0.00 H new ATOM 597 N PRO A 47 2.167 8.621 -8.779 1.00 0.00 N ATOM 598 CA PRO A 47 1.054 7.795 -9.274 1.00 0.00 C ATOM 599 C PRO A 47 -0.164 7.814 -8.347 1.00 0.00 C ATOM 600 O PRO A 47 -1.299 7.691 -8.808 1.00 0.00 O ATOM 601 CB PRO A 47 1.652 6.389 -9.331 1.00 0.00 C ATOM 602 CG PRO A 47 3.111 6.610 -9.513 1.00 0.00 C ATOM 603 CD PRO A 47 3.436 7.866 -8.751 1.00 0.00 C ATOM 0 HA PRO A 47 0.682 8.161 -10.231 1.00 0.00 H new ATOM 0 HB2 PRO A 47 1.446 5.833 -8.416 1.00 0.00 H new ATOM 0 HB3 PRO A 47 1.232 5.813 -10.155 1.00 0.00 H new ATOM 0 HG2 PRO A 47 3.684 5.764 -9.134 1.00 0.00 H new ATOM 0 HG3 PRO A 47 3.361 6.718 -10.568 1.00 0.00 H new ATOM 0 HD2 PRO A 47 3.751 7.647 -7.731 1.00 0.00 H new ATOM 0 HD3 PRO A 47 4.246 8.423 -9.222 1.00 0.00 H new ATOM 611 N ALA A 48 0.079 7.969 -7.043 1.00 0.00 N ATOM 612 CA ALA A 48 -1.002 8.006 -6.059 1.00 0.00 C ATOM 613 C ALA A 48 -1.975 9.148 -6.353 1.00 0.00 C ATOM 614 O ALA A 48 -3.193 8.957 -6.337 1.00 0.00 O ATOM 615 CB ALA A 48 -0.436 8.151 -4.654 1.00 0.00 C ATOM 0 H ALA A 48 1.013 8.071 -6.646 1.00 0.00 H new ATOM 0 HA ALA A 48 -1.549 7.065 -6.126 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -1.253 8.177 -3.933 1.00 0.00 H new ATOM 0 HB2 ALA A 48 0.214 7.304 -4.435 1.00 0.00 H new ATOM 0 HB3 ALA A 48 0.137 9.076 -4.586 1.00 0.00 H new ATOM 621 N ASP A 49 -1.427 10.332 -6.629 1.00 0.00 N ATOM 622 CA ASP A 49 -2.244 11.505 -6.936 1.00 0.00 C ATOM 623 C ASP A 49 -2.920 11.354 -8.297 1.00 0.00 C ATOM 624 O ASP A 49 -4.073 11.748 -8.473 1.00 0.00 O ATOM 625 CB ASP A 49 -1.387 12.776 -6.913 1.00 0.00 C ATOM 626 CG ASP A 49 -2.119 13.961 -6.310 1.00 0.00 C ATOM 627 OD1 ASP A 49 -2.680 13.814 -5.203 1.00 0.00 O ATOM 628 OD2 ASP A 49 -2.129 15.037 -6.944 1.00 0.00 O ATOM 0 H ASP A 49 -0.422 10.503 -6.646 1.00 0.00 H new ATOM 0 HA ASP A 49 -3.018 11.588 -6.173 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -0.478 12.587 -6.343 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -1.080 13.022 -7.930 1.00 0.00 H new ATOM 633 N ARG A 50 -2.192 10.776 -9.255 1.00 0.00 N ATOM 634 CA ARG A 50 -2.718 10.565 -10.604 1.00 0.00 C ATOM 635 C ARG A 50 -3.904 9.598 -10.591 1.00 0.00 C ATOM 636 O ARG A 50 -4.815 9.717 -11.411 1.00 0.00 O ATOM 637 CB ARG A 50 -1.624 10.024 -11.529 1.00 0.00 C ATOM 638 CG ARG A 50 -0.352 10.859 -11.536 1.00 0.00 C ATOM 639 CD ARG A 50 -0.333 11.847 -12.693 1.00 0.00 C ATOM 640 NE ARG A 50 0.943 11.828 -13.406 1.00 0.00 N ATOM 641 CZ ARG A 50 1.289 10.898 -14.303 1.00 0.00 C ATOM 642 NH1 ARG A 50 0.455 9.902 -14.599 1.00 0.00 N ATOM 643 NH2 ARG A 50 2.473 10.964 -14.901 1.00 0.00 N ATOM 0 H ARG A 50 -1.236 10.446 -9.121 1.00 0.00 H new ATOM 0 HA ARG A 50 -3.061 11.530 -10.978 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -1.377 9.006 -11.226 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -2.016 9.968 -12.545 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -0.267 11.400 -10.594 1.00 0.00 H new ATOM 0 HG3 ARG A 50 0.515 10.201 -11.605 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -1.140 11.609 -13.386 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -0.523 12.852 -12.315 1.00 0.00 H new ATOM 0 HE ARG A 50 1.612 12.571 -13.207 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -0.454 9.845 -14.141 1.00 0.00 H new ATOM 0 HH12 ARG A 50 0.726 9.197 -15.284 1.00 0.00 H new ATOM 0 HH21 ARG A 50 3.116 11.723 -14.676 1.00 0.00 H new ATOM 0 HH22 ARG A 50 2.739 10.256 -15.585 1.00 0.00 H new ATOM 657 N CYS A 51 -3.888 8.639 -9.660 1.00 0.00 N ATOM 658 CA CYS A 51 -4.965 7.656 -9.554 1.00 0.00 C ATOM 659 C CYS A 51 -6.230 8.272 -8.952 1.00 0.00 C ATOM 660 O CYS A 51 -7.341 7.822 -9.237 1.00 0.00 O ATOM 661 CB CYS A 51 -4.514 6.466 -8.702 1.00 0.00 C ATOM 662 SG CYS A 51 -5.119 4.868 -9.291 1.00 0.00 S ATOM 0 H CYS A 51 -3.143 8.525 -8.973 1.00 0.00 H new ATOM 0 HA CYS A 51 -5.200 7.314 -10.562 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -3.425 6.443 -8.676 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -4.854 6.616 -7.677 1.00 0.00 H new ATOM 0 HG CYS A 51 -4.118 4.052 -9.437 1.00 0.00 H new ATOM 668 N GLY A 52 -6.058 9.300 -8.117 1.00 0.00 N ATOM 669 CA GLY A 52 -7.196 9.956 -7.489 1.00 0.00 C ATOM 670 C GLY A 52 -7.959 9.045 -6.534 1.00 0.00 C ATOM 671 O GLY A 52 -9.099 9.340 -6.170 1.00 0.00 O ATOM 0 H GLY A 52 -5.149 9.689 -7.865 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -6.847 10.833 -6.944 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -7.876 10.312 -8.263 1.00 0.00 H new ATOM 675 N GLY A 53 -7.331 7.935 -6.134 1.00 0.00 N ATOM 676 CA GLY A 53 -7.970 6.992 -5.228 1.00 0.00 C ATOM 677 C GLY A 53 -7.222 6.826 -3.918 1.00 0.00 C ATOM 678 O GLY A 53 -7.839 6.615 -2.873 1.00 0.00 O ATOM 0 H GLY A 53 -6.388 7.674 -6.424 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -8.986 7.329 -5.020 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -8.050 6.022 -5.719 1.00 0.00 H new ATOM 682 N LEU A 54 -5.892 6.918 -3.967 1.00 0.00 N ATOM 683 CA LEU A 54 -5.076 6.773 -2.766 1.00 0.00 C ATOM 684 C LEU A 54 -5.305 7.947 -1.813 1.00 0.00 C ATOM 685 O LEU A 54 -4.836 9.061 -2.057 1.00 0.00 O ATOM 686 CB LEU A 54 -3.593 6.662 -3.133 1.00 0.00 C ATOM 687 CG LEU A 54 -2.779 5.717 -2.246 1.00 0.00 C ATOM 688 CD1 LEU A 54 -1.495 5.296 -2.948 1.00 0.00 C ATOM 689 CD2 LEU A 54 -2.475 6.377 -0.908 1.00 0.00 C ATOM 0 H LEU A 54 -5.362 7.091 -4.821 1.00 0.00 H new ATOM 0 HA LEU A 54 -5.375 5.856 -2.259 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -3.514 6.325 -4.167 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -3.147 7.655 -3.086 1.00 0.00 H new ATOM 0 HG LEU A 54 -3.370 4.821 -2.059 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -0.930 4.624 -2.301 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -1.740 4.783 -3.878 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -0.894 6.179 -3.168 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -1.896 5.693 -0.288 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -1.902 7.289 -1.074 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -3.409 6.622 -0.403 1.00 0.00 H new ATOM 701 N HIS A 55 -6.043 7.686 -0.733 1.00 0.00 N ATOM 702 CA HIS A 55 -6.357 8.711 0.260 1.00 0.00 C ATOM 703 C HIS A 55 -5.716 8.388 1.610 1.00 0.00 C ATOM 704 O HIS A 55 -5.404 7.232 1.898 1.00 0.00 O ATOM 705 CB HIS A 55 -7.878 8.848 0.422 1.00 0.00 C ATOM 706 CG HIS A 55 -8.564 7.565 0.794 1.00 0.00 C ATOM 707 ND1 HIS A 55 -8.336 6.908 1.986 1.00 0.00 N ATOM 708 CD2 HIS A 55 -9.464 6.808 0.117 1.00 0.00 C ATOM 709 CE1 HIS A 55 -9.059 5.805 2.023 1.00 0.00 C ATOM 710 NE2 HIS A 55 -9.751 5.721 0.904 1.00 0.00 N ATOM 0 H HIS A 55 -6.436 6.768 -0.524 1.00 0.00 H new ATOM 0 HA HIS A 55 -5.948 9.657 -0.095 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -8.087 9.596 1.187 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -8.302 9.219 -0.511 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -9.877 7.021 -0.858 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -9.080 5.091 2.833 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -10.396 4.969 0.662 1.00 0.00 H new ATOM 719 N VAL A 56 -5.526 9.420 2.434 1.00 0.00 N ATOM 720 CA VAL A 56 -4.926 9.246 3.755 1.00 0.00 C ATOM 721 C VAL A 56 -5.798 8.357 4.644 1.00 0.00 C ATOM 722 O VAL A 56 -7.026 8.461 4.629 1.00 0.00 O ATOM 723 CB VAL A 56 -4.688 10.603 4.455 1.00 0.00 C ATOM 724 CG1 VAL A 56 -6.000 11.332 4.710 1.00 0.00 C ATOM 725 CG2 VAL A 56 -3.914 10.411 5.752 1.00 0.00 C ATOM 0 H VAL A 56 -5.779 10.382 2.209 1.00 0.00 H new ATOM 0 HA VAL A 56 -3.962 8.761 3.603 1.00 0.00 H new ATOM 0 HB VAL A 56 -4.090 11.223 3.787 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -5.798 12.283 5.203 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -6.505 11.515 3.761 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -6.638 10.720 5.348 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -3.757 11.379 6.229 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -4.481 9.764 6.422 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -2.949 9.953 5.535 1.00 0.00 H new ATOM 735 N GLY A 57 -5.151 7.479 5.410 1.00 0.00 N ATOM 736 CA GLY A 57 -5.876 6.577 6.289 1.00 0.00 C ATOM 737 C GLY A 57 -6.389 5.350 5.556 1.00 0.00 C ATOM 738 O GLY A 57 -7.565 5.001 5.666 1.00 0.00 O ATOM 0 H GLY A 57 -4.136 7.377 5.437 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -5.223 6.265 7.104 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -6.716 7.107 6.738 1.00 0.00 H new ATOM 742 N ASP A 58 -5.501 4.700 4.804 1.00 0.00 N ATOM 743 CA ASP A 58 -5.861 3.508 4.042 1.00 0.00 C ATOM 744 C ASP A 58 -5.176 2.272 4.616 1.00 0.00 C ATOM 745 O ASP A 58 -3.955 2.252 4.773 1.00 0.00 O ATOM 746 CB ASP A 58 -5.469 3.686 2.570 1.00 0.00 C ATOM 747 CG ASP A 58 -6.670 3.832 1.652 1.00 0.00 C ATOM 748 OD1 ASP A 58 -7.705 3.178 1.912 1.00 0.00 O ATOM 749 OD2 ASP A 58 -6.574 4.599 0.669 1.00 0.00 O ATOM 0 H ASP A 58 -4.525 4.981 4.707 1.00 0.00 H new ATOM 0 HA ASP A 58 -6.940 3.369 4.112 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -4.834 4.567 2.472 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -4.876 2.829 2.251 1.00 0.00 H new ATOM 754 N ALA A 59 -5.962 1.241 4.922 1.00 0.00 N ATOM 755 CA ALA A 59 -5.417 0.005 5.477 1.00 0.00 C ATOM 756 C ALA A 59 -5.065 -0.975 4.365 1.00 0.00 C ATOM 757 O ALA A 59 -5.885 -1.257 3.494 1.00 0.00 O ATOM 758 CB ALA A 59 -6.407 -0.625 6.447 1.00 0.00 C ATOM 0 H ALA A 59 -6.974 1.237 4.795 1.00 0.00 H new ATOM 0 HA ALA A 59 -4.504 0.248 6.022 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -5.985 -1.545 6.851 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -6.610 0.070 7.262 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -7.336 -0.851 5.923 1.00 0.00 H new ATOM 764 N ILE A 60 -3.833 -1.479 4.394 1.00 0.00 N ATOM 765 CA ILE A 60 -3.364 -2.415 3.376 1.00 0.00 C ATOM 766 C ILE A 60 -3.962 -3.806 3.570 1.00 0.00 C ATOM 767 O ILE A 60 -3.539 -4.561 4.448 1.00 0.00 O ATOM 768 CB ILE A 60 -1.824 -2.533 3.366 1.00 0.00 C ATOM 769 CG1 ILE A 60 -1.172 -1.146 3.336 1.00 0.00 C ATOM 770 CG2 ILE A 60 -1.370 -3.362 2.171 1.00 0.00 C ATOM 771 CD1 ILE A 60 0.221 -1.117 3.932 1.00 0.00 C ATOM 0 H ILE A 60 -3.143 -1.255 5.111 1.00 0.00 H new ATOM 0 HA ILE A 60 -3.696 -2.010 2.420 1.00 0.00 H new ATOM 0 HB ILE A 60 -1.510 -3.035 4.281 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -1.124 -0.799 2.304 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -1.805 -0.444 3.879 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -0.283 -3.439 2.174 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -1.804 -4.360 2.234 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -1.698 -2.881 1.249 1.00 0.00 H new ATOM 0 HD11 ILE A 60 0.619 -0.104 3.876 1.00 0.00 H new ATOM 0 HD12 ILE A 60 0.177 -1.433 4.974 1.00 0.00 H new ATOM 0 HD13 ILE A 60 0.869 -1.793 3.375 1.00 0.00 H new ATOM 783 N LEU A 61 -4.939 -4.140 2.732 1.00 0.00 N ATOM 784 CA LEU A 61 -5.592 -5.443 2.790 1.00 0.00 C ATOM 785 C LEU A 61 -4.812 -6.469 1.961 1.00 0.00 C ATOM 786 O LEU A 61 -4.493 -7.557 2.447 1.00 0.00 O ATOM 787 CB LEU A 61 -7.033 -5.340 2.275 1.00 0.00 C ATOM 788 CG LEU A 61 -8.067 -4.835 3.289 1.00 0.00 C ATOM 789 CD1 LEU A 61 -8.303 -5.866 4.383 1.00 0.00 C ATOM 790 CD2 LEU A 61 -7.637 -3.505 3.894 1.00 0.00 C ATOM 0 H LEU A 61 -5.297 -3.523 2.002 1.00 0.00 H new ATOM 0 HA LEU A 61 -5.611 -5.773 3.829 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -7.044 -4.676 1.411 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -7.345 -6.324 1.925 1.00 0.00 H new ATOM 0 HG LEU A 61 -9.005 -4.679 2.756 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -9.040 -5.484 5.090 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -8.671 -6.791 3.938 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -7.367 -6.063 4.906 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -8.389 -3.171 4.609 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -6.681 -3.629 4.403 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -7.533 -2.762 3.103 1.00 0.00 H new ATOM 802 N ALA A 62 -4.507 -6.112 0.709 1.00 0.00 N ATOM 803 CA ALA A 62 -3.764 -6.997 -0.188 1.00 0.00 C ATOM 804 C ALA A 62 -2.927 -6.205 -1.195 1.00 0.00 C ATOM 805 O ALA A 62 -3.328 -5.126 -1.640 1.00 0.00 O ATOM 806 CB ALA A 62 -4.720 -7.933 -0.915 1.00 0.00 C ATOM 0 H ALA A 62 -4.764 -5.216 0.296 1.00 0.00 H new ATOM 0 HA ALA A 62 -3.079 -7.588 0.420 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -4.155 -8.586 -1.579 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -5.262 -8.537 -0.187 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -5.429 -7.347 -1.500 1.00 0.00 H new ATOM 812 N VAL A 63 -1.763 -6.753 -1.553 1.00 0.00 N ATOM 813 CA VAL A 63 -0.865 -6.110 -2.511 1.00 0.00 C ATOM 814 C VAL A 63 -0.483 -7.081 -3.627 1.00 0.00 C ATOM 815 O VAL A 63 0.164 -8.101 -3.378 1.00 0.00 O ATOM 816 CB VAL A 63 0.420 -5.594 -1.827 1.00 0.00 C ATOM 817 CG1 VAL A 63 1.240 -4.742 -2.788 1.00 0.00 C ATOM 818 CG2 VAL A 63 0.077 -4.811 -0.567 1.00 0.00 C ATOM 0 H VAL A 63 -1.421 -7.643 -1.192 1.00 0.00 H new ATOM 0 HA VAL A 63 -1.401 -5.260 -2.933 1.00 0.00 H new ATOM 0 HB VAL A 63 1.024 -6.455 -1.541 1.00 0.00 H new ATOM 0 HG11 VAL A 63 2.140 -4.390 -2.284 1.00 0.00 H new ATOM 0 HG12 VAL A 63 1.520 -5.339 -3.656 1.00 0.00 H new ATOM 0 HG13 VAL A 63 0.647 -3.887 -3.112 1.00 0.00 H new ATOM 0 HG21 VAL A 63 0.995 -4.455 -0.099 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -0.551 -3.959 -0.828 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -0.458 -5.457 0.129 1.00 0.00 H new ATOM 828 N ASN A 64 -0.895 -6.757 -4.855 1.00 0.00 N ATOM 829 CA ASN A 64 -0.613 -7.593 -6.024 1.00 0.00 C ATOM 830 C ASN A 64 -1.104 -9.028 -5.804 1.00 0.00 C ATOM 831 O ASN A 64 -0.461 -9.990 -6.231 1.00 0.00 O ATOM 832 CB ASN A 64 0.889 -7.581 -6.346 1.00 0.00 C ATOM 833 CG ASN A 64 1.160 -7.590 -7.842 1.00 0.00 C ATOM 834 OD1 ASN A 64 0.704 -8.481 -8.560 1.00 0.00 O ATOM 835 ND2 ASN A 64 1.908 -6.599 -8.323 1.00 0.00 N ATOM 0 H ASN A 64 -1.429 -5.914 -5.066 1.00 0.00 H new ATOM 0 HA ASN A 64 -1.153 -7.177 -6.875 1.00 0.00 H new ATOM 0 HB2 ASN A 64 1.346 -6.697 -5.902 1.00 0.00 H new ATOM 0 HB3 ASN A 64 1.363 -8.449 -5.888 1.00 0.00 H new ATOM 0 HD21 ASN A 64 2.122 -6.559 -9.319 1.00 0.00 H new ATOM 0 HD22 ASN A 64 2.267 -5.880 -7.695 1.00 0.00 H new ATOM 842 N GLY A 65 -2.250 -9.164 -5.130 1.00 0.00 N ATOM 843 CA GLY A 65 -2.808 -10.481 -4.860 1.00 0.00 C ATOM 844 C GLY A 65 -2.274 -11.114 -3.576 1.00 0.00 C ATOM 845 O GLY A 65 -2.841 -12.093 -3.086 1.00 0.00 O ATOM 0 H GLY A 65 -2.800 -8.385 -4.767 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -3.893 -10.401 -4.793 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -2.588 -11.140 -5.700 1.00 0.00 H new ATOM 849 N VAL A 66 -1.189 -10.560 -3.028 1.00 0.00 N ATOM 850 CA VAL A 66 -0.594 -11.085 -1.801 1.00 0.00 C ATOM 851 C VAL A 66 -1.269 -10.488 -0.567 1.00 0.00 C ATOM 852 O VAL A 66 -1.380 -9.268 -0.438 1.00 0.00 O ATOM 853 CB VAL A 66 0.924 -10.802 -1.741 1.00 0.00 C ATOM 854 CG1 VAL A 66 1.553 -11.491 -0.538 1.00 0.00 C ATOM 855 CG2 VAL A 66 1.605 -11.242 -3.030 1.00 0.00 C ATOM 0 H VAL A 66 -0.707 -9.749 -3.416 1.00 0.00 H new ATOM 0 HA VAL A 66 -0.748 -12.164 -1.809 1.00 0.00 H new ATOM 0 HB VAL A 66 1.066 -9.727 -1.630 1.00 0.00 H new ATOM 0 HG11 VAL A 66 2.622 -11.279 -0.515 1.00 0.00 H new ATOM 0 HG12 VAL A 66 1.090 -11.121 0.377 1.00 0.00 H new ATOM 0 HG13 VAL A 66 1.398 -12.567 -0.613 1.00 0.00 H new ATOM 0 HG21 VAL A 66 2.673 -11.034 -2.967 1.00 0.00 H new ATOM 0 HG22 VAL A 66 1.452 -12.311 -3.176 1.00 0.00 H new ATOM 0 HG23 VAL A 66 1.178 -10.696 -3.872 1.00 0.00 H new ATOM 865 N ASN A 67 -1.721 -11.361 0.334 1.00 0.00 N ATOM 866 CA ASN A 67 -2.391 -10.928 1.560 1.00 0.00 C ATOM 867 C ASN A 67 -1.397 -10.295 2.531 1.00 0.00 C ATOM 868 O ASN A 67 -0.268 -10.765 2.668 1.00 0.00 O ATOM 869 CB ASN A 67 -3.090 -12.114 2.238 1.00 0.00 C ATOM 870 CG ASN A 67 -4.594 -12.105 2.028 1.00 0.00 C ATOM 871 OD1 ASN A 67 -5.088 -12.541 0.988 1.00 0.00 O ATOM 872 ND2 ASN A 67 -5.332 -11.609 3.016 1.00 0.00 N ATOM 0 H ASN A 67 -1.635 -12.373 0.237 1.00 0.00 H new ATOM 0 HA ASN A 67 -3.137 -10.181 1.287 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -2.678 -13.045 1.848 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -2.876 -12.094 3.307 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -6.348 -11.580 2.929 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -4.882 -11.258 3.862 1.00 0.00 H new ATOM 879 N LEU A 68 -1.830 -9.231 3.208 1.00 0.00 N ATOM 880 CA LEU A 68 -0.979 -8.538 4.178 1.00 0.00 C ATOM 881 C LEU A 68 -1.546 -8.633 5.601 1.00 0.00 C ATOM 882 O LEU A 68 -0.942 -8.123 6.546 1.00 0.00 O ATOM 883 CB LEU A 68 -0.805 -7.067 3.783 1.00 0.00 C ATOM 884 CG LEU A 68 0.622 -6.525 3.924 1.00 0.00 C ATOM 885 CD1 LEU A 68 1.482 -6.961 2.747 1.00 0.00 C ATOM 886 CD2 LEU A 68 0.611 -5.007 4.048 1.00 0.00 C ATOM 0 H LEU A 68 -2.762 -8.830 3.104 1.00 0.00 H new ATOM 0 HA LEU A 68 -0.007 -9.031 4.170 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -1.124 -6.944 2.748 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -1.471 -6.460 4.396 1.00 0.00 H new ATOM 0 HG LEU A 68 1.055 -6.939 4.835 1.00 0.00 H new ATOM 0 HD11 LEU A 68 2.491 -6.566 2.867 1.00 0.00 H new ATOM 0 HD12 LEU A 68 1.521 -8.050 2.709 1.00 0.00 H new ATOM 0 HD13 LEU A 68 1.051 -6.581 1.821 1.00 0.00 H new ATOM 0 HD21 LEU A 68 1.634 -4.643 4.147 1.00 0.00 H new ATOM 0 HD22 LEU A 68 0.156 -4.573 3.158 1.00 0.00 H new ATOM 0 HD23 LEU A 68 0.036 -4.718 4.928 1.00 0.00 H new ATOM 898 N ARG A 69 -2.705 -9.285 5.755 1.00 0.00 N ATOM 899 CA ARG A 69 -3.331 -9.436 7.069 1.00 0.00 C ATOM 900 C ARG A 69 -2.553 -10.412 7.952 1.00 0.00 C ATOM 901 O ARG A 69 -2.491 -10.238 9.168 1.00 0.00 O ATOM 902 CB ARG A 69 -4.784 -9.905 6.927 1.00 0.00 C ATOM 903 CG ARG A 69 -5.801 -8.915 7.476 1.00 0.00 C ATOM 904 CD ARG A 69 -6.311 -9.334 8.847 1.00 0.00 C ATOM 905 NE ARG A 69 -7.635 -9.954 8.777 1.00 0.00 N ATOM 906 CZ ARG A 69 -8.778 -9.273 8.639 1.00 0.00 C ATOM 907 NH1 ARG A 69 -8.767 -7.945 8.543 1.00 0.00 N ATOM 908 NH2 ARG A 69 -9.935 -9.925 8.592 1.00 0.00 N ATOM 0 H ARG A 69 -3.224 -9.714 4.989 1.00 0.00 H new ATOM 0 HA ARG A 69 -3.318 -8.458 7.549 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -4.997 -10.085 5.873 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -4.901 -10.858 7.444 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -5.347 -7.926 7.543 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -6.640 -8.834 6.785 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -5.607 -10.034 9.297 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -6.354 -8.462 9.499 1.00 0.00 H new ATOM 0 HE ARG A 69 -7.690 -10.971 8.837 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -7.882 -7.439 8.574 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -9.643 -7.434 8.438 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -9.950 -10.943 8.661 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -10.808 -9.408 8.487 1.00 0.00 H new ATOM 922 N ASP A 70 -1.967 -11.441 7.340 1.00 0.00 N ATOM 923 CA ASP A 70 -1.199 -12.438 8.087 1.00 0.00 C ATOM 924 C ASP A 70 0.313 -12.216 7.948 1.00 0.00 C ATOM 925 O ASP A 70 1.108 -13.078 8.333 1.00 0.00 O ATOM 926 CB ASP A 70 -1.570 -13.849 7.620 1.00 0.00 C ATOM 927 CG ASP A 70 -1.918 -14.768 8.776 1.00 0.00 C ATOM 928 OD1 ASP A 70 -2.805 -14.405 9.578 1.00 0.00 O ATOM 929 OD2 ASP A 70 -1.303 -15.850 8.879 1.00 0.00 O ATOM 0 H ASP A 70 -2.009 -11.606 6.334 1.00 0.00 H new ATOM 0 HA ASP A 70 -1.453 -12.327 9.141 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -2.418 -13.792 6.937 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -0.737 -14.274 7.059 1.00 0.00 H new ATOM 934 N THR A 71 0.710 -11.063 7.402 1.00 0.00 N ATOM 935 CA THR A 71 2.127 -10.746 7.223 1.00 0.00 C ATOM 936 C THR A 71 2.565 -9.640 8.184 1.00 0.00 C ATOM 937 O THR A 71 1.731 -8.933 8.753 1.00 0.00 O ATOM 938 CB THR A 71 2.402 -10.328 5.774 1.00 0.00 C ATOM 939 OG1 THR A 71 1.892 -9.031 5.515 1.00 0.00 O ATOM 940 CG2 THR A 71 1.797 -11.267 4.753 1.00 0.00 C ATOM 0 H THR A 71 0.071 -10.337 7.078 1.00 0.00 H new ATOM 0 HA THR A 71 2.705 -11.642 7.447 1.00 0.00 H new ATOM 0 HB THR A 71 3.487 -10.353 5.672 1.00 0.00 H new ATOM 0 HG1 THR A 71 2.338 -8.656 4.727 1.00 0.00 H new ATOM 0 HG21 THR A 71 2.030 -10.912 3.749 1.00 0.00 H new ATOM 0 HG22 THR A 71 2.209 -12.267 4.889 1.00 0.00 H new ATOM 0 HG23 THR A 71 0.715 -11.300 4.884 1.00 0.00 H new ATOM 948 N LYS A 72 3.879 -9.497 8.358 1.00 0.00 N ATOM 949 CA LYS A 72 4.434 -8.477 9.250 1.00 0.00 C ATOM 950 C LYS A 72 4.791 -7.208 8.477 1.00 0.00 C ATOM 951 O LYS A 72 4.941 -7.240 7.255 1.00 0.00 O ATOM 952 CB LYS A 72 5.676 -9.018 9.967 1.00 0.00 C ATOM 953 CG LYS A 72 5.378 -9.646 11.321 1.00 0.00 C ATOM 954 CD LYS A 72 4.687 -10.995 11.178 1.00 0.00 C ATOM 955 CE LYS A 72 5.661 -12.080 10.740 1.00 0.00 C ATOM 956 NZ LYS A 72 4.967 -13.360 10.415 1.00 0.00 N ATOM 0 H LYS A 72 4.580 -10.074 7.893 1.00 0.00 H new ATOM 0 HA LYS A 72 3.674 -8.226 9.990 1.00 0.00 H new ATOM 0 HB2 LYS A 72 6.157 -9.761 9.330 1.00 0.00 H new ATOM 0 HB3 LYS A 72 6.389 -8.205 10.103 1.00 0.00 H new ATOM 0 HG2 LYS A 72 6.308 -9.771 11.876 1.00 0.00 H new ATOM 0 HG3 LYS A 72 4.747 -8.974 11.903 1.00 0.00 H new ATOM 0 HD2 LYS A 72 4.233 -11.275 12.129 1.00 0.00 H new ATOM 0 HD3 LYS A 72 3.879 -10.915 10.451 1.00 0.00 H new ATOM 0 HE2 LYS A 72 6.216 -11.737 9.867 1.00 0.00 H new ATOM 0 HE3 LYS A 72 6.389 -12.254 11.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 5.668 -14.070 10.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 4.458 -13.702 11.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 4.290 -13.201 9.641 1.00 0.00 H new ATOM 970 N HIS A 73 4.932 -6.091 9.198 1.00 0.00 N ATOM 971 CA HIS A 73 5.280 -4.810 8.575 1.00 0.00 C ATOM 972 C HIS A 73 6.549 -4.942 7.735 1.00 0.00 C ATOM 973 O HIS A 73 6.577 -4.531 6.576 1.00 0.00 O ATOM 974 CB HIS A 73 5.468 -3.725 9.642 1.00 0.00 C ATOM 975 CG HIS A 73 5.791 -2.371 9.082 1.00 0.00 C ATOM 976 ND1 HIS A 73 6.801 -1.574 9.579 1.00 0.00 N ATOM 977 CD2 HIS A 73 5.227 -1.671 8.068 1.00 0.00 C ATOM 978 CE1 HIS A 73 6.844 -0.444 8.896 1.00 0.00 C ATOM 979 NE2 HIS A 73 5.900 -0.477 7.974 1.00 0.00 N ATOM 0 H HIS A 73 4.811 -6.048 10.210 1.00 0.00 H new ATOM 0 HA HIS A 73 4.458 -4.520 7.920 1.00 0.00 H new ATOM 0 HB2 HIS A 73 4.558 -3.653 10.238 1.00 0.00 H new ATOM 0 HB3 HIS A 73 6.268 -4.028 10.317 1.00 0.00 H new ATOM 0 HD2 HIS A 73 4.402 -1.992 7.449 1.00 0.00 H new ATOM 0 HE1 HIS A 73 7.535 0.369 9.064 1.00 0.00 H new ATOM 0 HE2 HIS A 73 5.702 0.264 7.301 1.00 0.00 H new ATOM 988 N LYS A 74 7.595 -5.525 8.325 1.00 0.00 N ATOM 989 CA LYS A 74 8.862 -5.716 7.622 1.00 0.00 C ATOM 990 C LYS A 74 8.659 -6.548 6.356 1.00 0.00 C ATOM 991 O LYS A 74 9.204 -6.226 5.300 1.00 0.00 O ATOM 992 CB LYS A 74 9.885 -6.397 8.537 1.00 0.00 C ATOM 993 CG LYS A 74 11.330 -6.074 8.185 1.00 0.00 C ATOM 994 CD LYS A 74 12.050 -5.393 9.339 1.00 0.00 C ATOM 995 CE LYS A 74 11.901 -3.880 9.276 1.00 0.00 C ATOM 996 NZ LYS A 74 10.660 -3.407 9.955 1.00 0.00 N ATOM 0 H LYS A 74 7.588 -5.871 9.284 1.00 0.00 H new ATOM 0 HA LYS A 74 9.242 -4.735 7.336 1.00 0.00 H new ATOM 0 HB2 LYS A 74 9.695 -6.096 9.567 1.00 0.00 H new ATOM 0 HB3 LYS A 74 9.741 -7.476 8.489 1.00 0.00 H new ATOM 0 HG2 LYS A 74 11.854 -6.992 7.920 1.00 0.00 H new ATOM 0 HG3 LYS A 74 11.355 -5.428 7.308 1.00 0.00 H new ATOM 0 HD2 LYS A 74 11.651 -5.760 10.285 1.00 0.00 H new ATOM 0 HD3 LYS A 74 13.107 -5.657 9.315 1.00 0.00 H new ATOM 0 HE2 LYS A 74 12.768 -3.412 9.741 1.00 0.00 H new ATOM 0 HE3 LYS A 74 11.887 -3.561 8.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 10.600 -2.371 9.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 9.829 -3.832 9.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 10.684 -3.687 10.956 1.00 0.00 H new ATOM 1010 N GLU A 75 7.859 -7.611 6.473 1.00 0.00 N ATOM 1011 CA GLU A 75 7.566 -8.489 5.342 1.00 0.00 C ATOM 1012 C GLU A 75 6.791 -7.743 4.257 1.00 0.00 C ATOM 1013 O GLU A 75 7.021 -7.949 3.066 1.00 0.00 O ATOM 1014 CB GLU A 75 6.756 -9.707 5.800 1.00 0.00 C ATOM 1015 CG GLU A 75 7.406 -10.502 6.926 1.00 0.00 C ATOM 1016 CD GLU A 75 8.185 -11.708 6.428 1.00 0.00 C ATOM 1017 OE1 GLU A 75 7.689 -12.407 5.517 1.00 0.00 O ATOM 1018 OE2 GLU A 75 9.290 -11.954 6.952 1.00 0.00 O ATOM 0 H GLU A 75 7.402 -7.883 7.343 1.00 0.00 H new ATOM 0 HA GLU A 75 8.517 -8.824 4.929 1.00 0.00 H new ATOM 0 HB2 GLU A 75 5.772 -9.372 6.128 1.00 0.00 H new ATOM 0 HB3 GLU A 75 6.600 -10.367 4.947 1.00 0.00 H new ATOM 0 HG2 GLU A 75 8.076 -9.849 7.485 1.00 0.00 H new ATOM 0 HG3 GLU A 75 6.635 -10.836 7.620 1.00 0.00 H new ATOM 1025 N ALA A 76 5.872 -6.875 4.678 1.00 0.00 N ATOM 1026 CA ALA A 76 5.064 -6.103 3.741 1.00 0.00 C ATOM 1027 C ALA A 76 5.935 -5.166 2.912 1.00 0.00 C ATOM 1028 O ALA A 76 5.732 -5.028 1.705 1.00 0.00 O ATOM 1029 CB ALA A 76 3.995 -5.313 4.481 1.00 0.00 C ATOM 0 H ALA A 76 5.670 -6.690 5.661 1.00 0.00 H new ATOM 0 HA ALA A 76 4.575 -6.803 3.064 1.00 0.00 H new ATOM 0 HB1 ALA A 76 3.402 -4.743 3.765 1.00 0.00 H new ATOM 0 HB2 ALA A 76 3.346 -6.000 5.024 1.00 0.00 H new ATOM 0 HB3 ALA A 76 4.470 -4.629 5.185 1.00 0.00 H new ATOM 1035 N VAL A 77 6.911 -4.532 3.561 1.00 0.00 N ATOM 1036 CA VAL A 77 7.815 -3.616 2.870 1.00 0.00 C ATOM 1037 C VAL A 77 8.629 -4.349 1.801 1.00 0.00 C ATOM 1038 O VAL A 77 8.843 -3.823 0.708 1.00 0.00 O ATOM 1039 CB VAL A 77 8.775 -2.907 3.852 1.00 0.00 C ATOM 1040 CG1 VAL A 77 9.568 -1.821 3.137 1.00 0.00 C ATOM 1041 CG2 VAL A 77 8.006 -2.324 5.030 1.00 0.00 C ATOM 0 H VAL A 77 7.095 -4.636 4.559 1.00 0.00 H new ATOM 0 HA VAL A 77 7.192 -2.861 2.391 1.00 0.00 H new ATOM 0 HB VAL A 77 9.478 -3.646 4.236 1.00 0.00 H new ATOM 0 HG11 VAL A 77 10.238 -1.334 3.845 1.00 0.00 H new ATOM 0 HG12 VAL A 77 10.153 -2.267 2.333 1.00 0.00 H new ATOM 0 HG13 VAL A 77 8.882 -1.084 2.721 1.00 0.00 H new ATOM 0 HG21 VAL A 77 8.701 -1.829 5.709 1.00 0.00 H new ATOM 0 HG22 VAL A 77 7.277 -1.600 4.666 1.00 0.00 H new ATOM 0 HG23 VAL A 77 7.489 -3.125 5.559 1.00 0.00 H new ATOM 1051 N THR A 78 9.073 -5.569 2.117 1.00 0.00 N ATOM 1052 CA THR A 78 9.855 -6.365 1.171 1.00 0.00 C ATOM 1053 C THR A 78 9.001 -6.794 -0.021 1.00 0.00 C ATOM 1054 O THR A 78 9.423 -6.663 -1.169 1.00 0.00 O ATOM 1055 CB THR A 78 10.460 -7.597 1.857 1.00 0.00 C ATOM 1056 OG1 THR A 78 9.822 -7.860 3.094 1.00 0.00 O ATOM 1057 CG2 THR A 78 11.941 -7.454 2.133 1.00 0.00 C ATOM 0 H THR A 78 8.905 -6.023 3.015 1.00 0.00 H new ATOM 0 HA THR A 78 10.668 -5.737 0.806 1.00 0.00 H new ATOM 0 HB THR A 78 10.306 -8.417 1.156 1.00 0.00 H new ATOM 0 HG1 THR A 78 8.868 -8.024 2.942 1.00 0.00 H new ATOM 0 HG21 THR A 78 12.309 -8.357 2.619 1.00 0.00 H new ATOM 0 HG22 THR A 78 12.473 -7.304 1.194 1.00 0.00 H new ATOM 0 HG23 THR A 78 12.108 -6.597 2.786 1.00 0.00 H new ATOM 1065 N ILE A 79 7.796 -7.296 0.252 1.00 0.00 N ATOM 1066 CA ILE A 79 6.892 -7.726 -0.815 1.00 0.00 C ATOM 1067 C ILE A 79 6.516 -6.547 -1.715 1.00 0.00 C ATOM 1068 O ILE A 79 6.434 -6.692 -2.935 1.00 0.00 O ATOM 1069 CB ILE A 79 5.603 -8.380 -0.265 1.00 0.00 C ATOM 1070 CG1 ILE A 79 5.944 -9.543 0.674 1.00 0.00 C ATOM 1071 CG2 ILE A 79 4.727 -8.866 -1.413 1.00 0.00 C ATOM 1072 CD1 ILE A 79 4.908 -9.767 1.755 1.00 0.00 C ATOM 0 H ILE A 79 7.426 -7.414 1.195 1.00 0.00 H new ATOM 0 HA ILE A 79 7.431 -8.475 -1.395 1.00 0.00 H new ATOM 0 HB ILE A 79 5.052 -7.631 0.304 1.00 0.00 H new ATOM 0 HG12 ILE A 79 6.049 -10.455 0.087 1.00 0.00 H new ATOM 0 HG13 ILE A 79 6.910 -9.352 1.141 1.00 0.00 H new ATOM 0 HG21 ILE A 79 3.823 -9.324 -1.012 1.00 0.00 H new ATOM 0 HG22 ILE A 79 4.455 -8.021 -2.046 1.00 0.00 H new ATOM 0 HG23 ILE A 79 5.275 -9.601 -2.003 1.00 0.00 H new ATOM 0 HD11 ILE A 79 5.212 -10.604 2.383 1.00 0.00 H new ATOM 0 HD12 ILE A 79 4.820 -8.869 2.366 1.00 0.00 H new ATOM 0 HD13 ILE A 79 3.945 -9.989 1.296 1.00 0.00 H new ATOM 1084 N LEU A 80 6.294 -5.381 -1.105 1.00 0.00 N ATOM 1085 CA LEU A 80 5.933 -4.178 -1.851 1.00 0.00 C ATOM 1086 C LEU A 80 7.021 -3.805 -2.857 1.00 0.00 C ATOM 1087 O LEU A 80 6.722 -3.438 -3.995 1.00 0.00 O ATOM 1088 CB LEU A 80 5.688 -3.008 -0.894 1.00 0.00 C ATOM 1089 CG LEU A 80 4.287 -2.399 -0.966 1.00 0.00 C ATOM 1090 CD1 LEU A 80 3.927 -1.726 0.353 1.00 0.00 C ATOM 1091 CD2 LEU A 80 4.201 -1.411 -2.123 1.00 0.00 C ATOM 0 H LEU A 80 6.358 -5.246 -0.096 1.00 0.00 H new ATOM 0 HA LEU A 80 5.015 -4.390 -2.399 1.00 0.00 H new ATOM 0 HB2 LEU A 80 5.868 -3.348 0.126 1.00 0.00 H new ATOM 0 HB3 LEU A 80 6.419 -2.227 -1.104 1.00 0.00 H new ATOM 0 HG LEU A 80 3.567 -3.198 -1.143 1.00 0.00 H new ATOM 0 HD11 LEU A 80 2.927 -1.299 0.282 1.00 0.00 H new ATOM 0 HD12 LEU A 80 3.951 -2.463 1.156 1.00 0.00 H new ATOM 0 HD13 LEU A 80 4.646 -0.934 0.566 1.00 0.00 H new ATOM 0 HD21 LEU A 80 3.199 -0.984 -2.163 1.00 0.00 H new ATOM 0 HD22 LEU A 80 4.929 -0.613 -1.975 1.00 0.00 H new ATOM 0 HD23 LEU A 80 4.414 -1.927 -3.059 1.00 0.00 H new ATOM 1103 N SER A 81 8.284 -3.900 -2.435 1.00 0.00 N ATOM 1104 CA SER A 81 9.408 -3.570 -3.311 1.00 0.00 C ATOM 1105 C SER A 81 9.491 -4.535 -4.497 1.00 0.00 C ATOM 1106 O SER A 81 9.910 -4.147 -5.589 1.00 0.00 O ATOM 1107 CB SER A 81 10.724 -3.580 -2.526 1.00 0.00 C ATOM 1108 OG SER A 81 11.128 -4.902 -2.202 1.00 0.00 O ATOM 0 H SER A 81 8.552 -4.201 -1.498 1.00 0.00 H new ATOM 0 HA SER A 81 9.240 -2.567 -3.703 1.00 0.00 H new ATOM 0 HB2 SER A 81 11.503 -3.094 -3.114 1.00 0.00 H new ATOM 0 HB3 SER A 81 10.607 -3.000 -1.611 1.00 0.00 H new ATOM 0 HG SER A 81 10.496 -5.290 -1.561 1.00 0.00 H new ATOM 1114 N GLN A 82 9.086 -5.792 -4.277 1.00 0.00 N ATOM 1115 CA GLN A 82 9.112 -6.806 -5.335 1.00 0.00 C ATOM 1116 C GLN A 82 8.138 -6.449 -6.464 1.00 0.00 C ATOM 1117 O GLN A 82 8.359 -6.820 -7.617 1.00 0.00 O ATOM 1118 CB GLN A 82 8.763 -8.195 -4.778 1.00 0.00 C ATOM 1119 CG GLN A 82 9.701 -8.692 -3.685 1.00 0.00 C ATOM 1120 CD GLN A 82 11.168 -8.592 -4.065 1.00 0.00 C ATOM 1121 OE1 GLN A 82 11.557 -8.933 -5.183 1.00 0.00 O ATOM 1122 NE2 GLN A 82 11.994 -8.124 -3.134 1.00 0.00 N ATOM 0 H GLN A 82 8.738 -6.129 -3.379 1.00 0.00 H new ATOM 0 HA GLN A 82 10.125 -6.830 -5.736 1.00 0.00 H new ATOM 0 HB2 GLN A 82 7.747 -8.169 -4.383 1.00 0.00 H new ATOM 0 HB3 GLN A 82 8.768 -8.913 -5.598 1.00 0.00 H new ATOM 0 HG2 GLN A 82 9.528 -8.115 -2.776 1.00 0.00 H new ATOM 0 HG3 GLN A 82 9.462 -9.730 -3.454 1.00 0.00 H new ATOM 0 HE21 GLN A 82 11.631 -7.852 -2.220 1.00 0.00 H new ATOM 0 HE22 GLN A 82 12.990 -8.037 -3.334 1.00 0.00 H new ATOM 1131 N GLN A 83 7.062 -5.730 -6.125 1.00 0.00 N ATOM 1132 CA GLN A 83 6.060 -5.328 -7.115 1.00 0.00 C ATOM 1133 C GLN A 83 6.680 -4.425 -8.181 1.00 0.00 C ATOM 1134 O GLN A 83 7.115 -3.308 -7.889 1.00 0.00 O ATOM 1135 CB GLN A 83 4.881 -4.611 -6.441 1.00 0.00 C ATOM 1136 CG GLN A 83 4.356 -5.303 -5.187 1.00 0.00 C ATOM 1137 CD GLN A 83 4.102 -6.792 -5.374 1.00 0.00 C ATOM 1138 OE1 GLN A 83 4.086 -7.300 -6.494 1.00 0.00 O ATOM 1139 NE2 GLN A 83 3.896 -7.499 -4.269 1.00 0.00 N ATOM 0 H GLN A 83 6.864 -5.416 -5.175 1.00 0.00 H new ATOM 0 HA GLN A 83 5.688 -6.232 -7.597 1.00 0.00 H new ATOM 0 HB2 GLN A 83 5.188 -3.598 -6.181 1.00 0.00 H new ATOM 0 HB3 GLN A 83 4.067 -4.522 -7.160 1.00 0.00 H new ATOM 0 HG2 GLN A 83 5.073 -5.164 -4.378 1.00 0.00 H new ATOM 0 HG3 GLN A 83 3.429 -4.821 -4.877 1.00 0.00 H new ATOM 0 HE21 GLN A 83 3.917 -7.040 -3.358 1.00 0.00 H new ATOM 0 HE22 GLN A 83 3.716 -8.501 -4.331 1.00 0.00 H new ATOM 1148 N ARG A 84 6.725 -4.924 -9.418 1.00 0.00 N ATOM 1149 CA ARG A 84 7.299 -4.174 -10.533 1.00 0.00 C ATOM 1150 C ARG A 84 6.260 -3.908 -11.620 1.00 0.00 C ATOM 1151 O ARG A 84 5.310 -4.677 -11.786 1.00 0.00 O ATOM 1152 CB ARG A 84 8.489 -4.935 -11.122 1.00 0.00 C ATOM 1153 CG ARG A 84 8.124 -6.286 -11.720 1.00 0.00 C ATOM 1154 CD ARG A 84 9.230 -6.817 -12.617 1.00 0.00 C ATOM 1155 NE ARG A 84 9.431 -8.255 -12.446 1.00 0.00 N ATOM 1156 CZ ARG A 84 8.646 -9.191 -12.990 1.00 0.00 C ATOM 1157 NH1 ARG A 84 7.597 -8.844 -13.734 1.00 0.00 N ATOM 1158 NH2 ARG A 84 8.910 -10.477 -12.784 1.00 0.00 N ATOM 0 H ARG A 84 6.370 -5.846 -9.671 1.00 0.00 H new ATOM 0 HA ARG A 84 7.639 -3.212 -10.149 1.00 0.00 H new ATOM 0 HB2 ARG A 84 8.954 -4.321 -11.893 1.00 0.00 H new ATOM 0 HB3 ARG A 84 9.235 -5.084 -10.341 1.00 0.00 H new ATOM 0 HG2 ARG A 84 7.931 -6.999 -10.919 1.00 0.00 H new ATOM 0 HG3 ARG A 84 7.202 -6.194 -12.294 1.00 0.00 H new ATOM 0 HD2 ARG A 84 8.985 -6.606 -13.658 1.00 0.00 H new ATOM 0 HD3 ARG A 84 10.159 -6.292 -12.396 1.00 0.00 H new ATOM 0 HE ARG A 84 10.219 -8.563 -11.876 1.00 0.00 H new ATOM 0 HH11 ARG A 84 7.388 -7.858 -13.892 1.00 0.00 H new ATOM 0 HH12 ARG A 84 7.003 -9.564 -14.145 1.00 0.00 H new ATOM 0 HH21 ARG A 84 9.710 -10.748 -12.212 1.00 0.00 H new ATOM 0 HH22 ARG A 84 8.313 -11.193 -13.198 1.00 0.00 H new ATOM 1172 N GLY A 85 6.455 -2.815 -12.359 1.00 0.00 N ATOM 1173 CA GLY A 85 5.539 -2.454 -13.429 1.00 0.00 C ATOM 1174 C GLY A 85 4.135 -2.179 -12.926 1.00 0.00 C ATOM 1175 O GLY A 85 3.871 -1.119 -12.354 1.00 0.00 O ATOM 0 H GLY A 85 7.236 -2.171 -12.233 1.00 0.00 H new ATOM 0 HA2 GLY A 85 5.917 -1.570 -13.943 1.00 0.00 H new ATOM 0 HA3 GLY A 85 5.507 -3.260 -14.162 1.00 0.00 H new ATOM 1179 N GLU A 86 3.237 -3.143 -13.133 1.00 0.00 N ATOM 1180 CA GLU A 86 1.854 -3.012 -12.691 1.00 0.00 C ATOM 1181 C GLU A 86 1.695 -3.554 -11.275 1.00 0.00 C ATOM 1182 O GLU A 86 1.946 -4.733 -11.019 1.00 0.00 O ATOM 1183 CB GLU A 86 0.914 -3.753 -13.645 1.00 0.00 C ATOM 1184 CG GLU A 86 -0.552 -3.392 -13.457 1.00 0.00 C ATOM 1185 CD GLU A 86 -1.462 -4.093 -14.448 1.00 0.00 C ATOM 1186 OE1 GLU A 86 -1.423 -5.341 -14.514 1.00 0.00 O ATOM 1187 OE2 GLU A 86 -2.217 -3.394 -15.155 1.00 0.00 O ATOM 0 H GLU A 86 3.446 -4.023 -13.605 1.00 0.00 H new ATOM 0 HA GLU A 86 1.592 -1.954 -12.694 1.00 0.00 H new ATOM 0 HB2 GLU A 86 1.205 -3.533 -14.672 1.00 0.00 H new ATOM 0 HB3 GLU A 86 1.037 -4.827 -13.502 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -0.858 -3.651 -12.443 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -0.672 -2.314 -13.560 1.00 0.00 H new ATOM 1194 N ILE A 87 1.282 -2.684 -10.356 1.00 0.00 N ATOM 1195 CA ILE A 87 1.095 -3.073 -8.963 1.00 0.00 C ATOM 1196 C ILE A 87 -0.346 -2.832 -8.515 1.00 0.00 C ATOM 1197 O ILE A 87 -0.845 -1.708 -8.586 1.00 0.00 O ATOM 1198 CB ILE A 87 2.047 -2.294 -8.030 1.00 0.00 C ATOM 1199 CG1 ILE A 87 3.466 -2.267 -8.611 1.00 0.00 C ATOM 1200 CG2 ILE A 87 2.049 -2.912 -6.637 1.00 0.00 C ATOM 1201 CD1 ILE A 87 4.436 -1.430 -7.805 1.00 0.00 C ATOM 0 H ILE A 87 1.071 -1.706 -10.552 1.00 0.00 H new ATOM 0 HA ILE A 87 1.322 -4.137 -8.897 1.00 0.00 H new ATOM 0 HB ILE A 87 1.690 -1.267 -7.951 1.00 0.00 H new ATOM 0 HG12 ILE A 87 3.844 -3.288 -8.672 1.00 0.00 H new ATOM 0 HG13 ILE A 87 3.425 -1.881 -9.629 1.00 0.00 H new ATOM 0 HG21 ILE A 87 2.725 -2.351 -5.991 1.00 0.00 H new ATOM 0 HG22 ILE A 87 1.041 -2.879 -6.223 1.00 0.00 H new ATOM 0 HG23 ILE A 87 2.382 -3.948 -6.699 1.00 0.00 H new ATOM 0 HD11 ILE A 87 5.419 -1.458 -8.276 1.00 0.00 H new ATOM 0 HD12 ILE A 87 4.082 -0.400 -7.765 1.00 0.00 H new ATOM 0 HD13 ILE A 87 4.507 -1.829 -6.793 1.00 0.00 H new ATOM 1213 N GLU A 88 -1.006 -3.890 -8.051 1.00 0.00 N ATOM 1214 CA GLU A 88 -2.388 -3.791 -7.588 1.00 0.00 C ATOM 1215 C GLU A 88 -2.436 -3.557 -6.080 1.00 0.00 C ATOM 1216 O GLU A 88 -1.909 -4.355 -5.304 1.00 0.00 O ATOM 1217 CB GLU A 88 -3.163 -5.064 -7.940 1.00 0.00 C ATOM 1218 CG GLU A 88 -3.496 -5.190 -9.419 1.00 0.00 C ATOM 1219 CD GLU A 88 -3.951 -6.587 -9.795 1.00 0.00 C ATOM 1220 OE1 GLU A 88 -5.077 -6.970 -9.407 1.00 0.00 O ATOM 1221 OE2 GLU A 88 -3.184 -7.299 -10.475 1.00 0.00 O ATOM 0 H GLU A 88 -0.606 -4.826 -7.986 1.00 0.00 H new ATOM 0 HA GLU A 88 -2.853 -2.942 -8.090 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -2.578 -5.931 -7.634 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -4.089 -5.085 -7.365 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -4.279 -4.476 -9.674 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -2.619 -4.926 -10.009 1.00 0.00 H new ATOM 1228 N PHE A 89 -3.068 -2.458 -5.669 1.00 0.00 N ATOM 1229 CA PHE A 89 -3.176 -2.126 -4.253 1.00 0.00 C ATOM 1230 C PHE A 89 -4.631 -2.133 -3.794 1.00 0.00 C ATOM 1231 O PHE A 89 -5.494 -1.509 -4.414 1.00 0.00 O ATOM 1232 CB PHE A 89 -2.550 -0.755 -3.983 1.00 0.00 C ATOM 1233 CG PHE A 89 -1.335 -0.812 -3.101 1.00 0.00 C ATOM 1234 CD1 PHE A 89 -1.460 -1.013 -1.735 1.00 0.00 C ATOM 1235 CD2 PHE A 89 -0.067 -0.661 -3.638 1.00 0.00 C ATOM 1236 CE1 PHE A 89 -0.344 -1.065 -0.923 1.00 0.00 C ATOM 1237 CE2 PHE A 89 1.053 -0.711 -2.831 1.00 0.00 C ATOM 1238 CZ PHE A 89 0.914 -0.912 -1.471 1.00 0.00 C ATOM 0 H PHE A 89 -3.511 -1.786 -6.296 1.00 0.00 H new ATOM 0 HA PHE A 89 -2.637 -2.886 -3.687 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -2.278 -0.296 -4.933 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -3.296 -0.109 -3.519 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -2.442 -1.130 -1.301 1.00 0.00 H new ATOM 0 HD2 PHE A 89 0.047 -0.502 -4.700 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -0.455 -1.225 0.139 1.00 0.00 H new ATOM 0 HE2 PHE A 89 2.036 -0.593 -3.262 1.00 0.00 H new ATOM 0 HZ PHE A 89 1.788 -0.949 -0.838 1.00 0.00 H new ATOM 1248 N GLU A 90 -4.893 -2.838 -2.696 1.00 0.00 N ATOM 1249 CA GLU A 90 -6.238 -2.923 -2.141 1.00 0.00 C ATOM 1250 C GLU A 90 -6.251 -2.374 -0.718 1.00 0.00 C ATOM 1251 O GLU A 90 -5.601 -2.925 0.174 1.00 0.00 O ATOM 1252 CB GLU A 90 -6.731 -4.372 -2.162 1.00 0.00 C ATOM 1253 CG GLU A 90 -6.592 -5.038 -3.524 1.00 0.00 C ATOM 1254 CD GLU A 90 -7.365 -6.339 -3.628 1.00 0.00 C ATOM 1255 OE1 GLU A 90 -8.559 -6.356 -3.257 1.00 0.00 O ATOM 1256 OE2 GLU A 90 -6.777 -7.341 -4.085 1.00 0.00 O ATOM 0 H GLU A 90 -4.189 -3.359 -2.173 1.00 0.00 H new ATOM 0 HA GLU A 90 -6.911 -2.323 -2.753 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -6.172 -4.949 -1.425 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -7.778 -4.396 -1.859 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -6.941 -4.352 -4.295 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -5.538 -5.231 -3.722 1.00 0.00 H new ATOM 1263 N VAL A 91 -6.978 -1.276 -0.519 1.00 0.00 N ATOM 1264 CA VAL A 91 -7.057 -0.635 0.793 1.00 0.00 C ATOM 1265 C VAL A 91 -8.489 -0.207 1.130 1.00 0.00 C ATOM 1266 O VAL A 91 -9.351 -0.134 0.250 1.00 0.00 O ATOM 1267 CB VAL A 91 -6.126 0.595 0.864 1.00 0.00 C ATOM 1268 CG1 VAL A 91 -4.669 0.163 0.948 1.00 0.00 C ATOM 1269 CG2 VAL A 91 -6.345 1.507 -0.336 1.00 0.00 C ATOM 0 H VAL A 91 -7.520 -0.812 -1.248 1.00 0.00 H new ATOM 0 HA VAL A 91 -6.735 -1.375 1.526 1.00 0.00 H new ATOM 0 HB VAL A 91 -6.370 1.154 1.767 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -4.030 1.045 0.997 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -4.520 -0.443 1.842 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -4.412 -0.423 0.065 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -5.679 2.367 -0.266 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -6.133 0.958 -1.254 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -7.380 1.849 -0.349 1.00 0.00 H new ATOM 1279 N VAL A 92 -8.733 0.073 2.414 1.00 0.00 N ATOM 1280 CA VAL A 92 -10.058 0.491 2.878 1.00 0.00 C ATOM 1281 C VAL A 92 -9.965 1.732 3.769 1.00 0.00 C ATOM 1282 O VAL A 92 -8.996 1.899 4.513 1.00 0.00 O ATOM 1283 CB VAL A 92 -10.760 -0.640 3.666 1.00 0.00 C ATOM 1284 CG1 VAL A 92 -12.225 -0.306 3.913 1.00 0.00 C ATOM 1285 CG2 VAL A 92 -10.632 -1.965 2.931 1.00 0.00 C ATOM 0 H VAL A 92 -8.029 0.017 3.150 1.00 0.00 H new ATOM 0 HA VAL A 92 -10.644 0.727 1.990 1.00 0.00 H new ATOM 0 HB VAL A 92 -10.266 -0.732 4.633 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -12.695 -1.118 4.469 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -12.296 0.617 4.489 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -12.735 -0.177 2.958 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -11.132 -2.747 3.502 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -11.094 -1.882 1.947 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -9.578 -2.217 2.816 1.00 0.00 H new ATOM 1295 N TYR A 93 -10.980 2.598 3.692 1.00 0.00 N ATOM 1296 CA TYR A 93 -11.012 3.822 4.497 1.00 0.00 C ATOM 1297 C TYR A 93 -11.244 3.494 5.974 1.00 0.00 C ATOM 1298 O TYR A 93 -12.175 2.762 6.316 1.00 0.00 O ATOM 1299 CB TYR A 93 -12.111 4.772 3.996 1.00 0.00 C ATOM 1300 CG TYR A 93 -11.629 6.182 3.706 1.00 0.00 C ATOM 1301 CD1 TYR A 93 -10.712 6.817 4.541 1.00 0.00 C ATOM 1302 CD2 TYR A 93 -12.094 6.881 2.597 1.00 0.00 C ATOM 1303 CE1 TYR A 93 -10.276 8.102 4.277 1.00 0.00 C ATOM 1304 CE2 TYR A 93 -11.663 8.166 2.329 1.00 0.00 C ATOM 1305 CZ TYR A 93 -10.753 8.771 3.169 1.00 0.00 C ATOM 1306 OH TYR A 93 -10.323 10.051 2.903 1.00 0.00 O ATOM 0 H TYR A 93 -11.788 2.474 3.082 1.00 0.00 H new ATOM 0 HA TYR A 93 -10.045 4.315 4.395 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -12.550 4.356 3.089 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -12.904 4.817 4.742 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -10.335 6.296 5.409 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -12.805 6.411 1.934 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -9.565 8.580 4.935 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -12.038 8.694 1.465 1.00 0.00 H new ATOM 0 HH TYR A 93 -10.754 10.378 2.086 1.00 0.00 H new ATOM 1316 N VAL A 94 -10.391 4.040 6.840 1.00 0.00 N ATOM 1317 CA VAL A 94 -10.496 3.809 8.279 1.00 0.00 C ATOM 1318 C VAL A 94 -10.645 5.130 9.034 1.00 0.00 C ATOM 1319 O VAL A 94 -10.011 6.128 8.686 1.00 0.00 O ATOM 1320 CB VAL A 94 -9.259 3.058 8.818 1.00 0.00 C ATOM 1321 CG1 VAL A 94 -9.467 2.645 10.268 1.00 0.00 C ATOM 1322 CG2 VAL A 94 -8.945 1.843 7.954 1.00 0.00 C ATOM 0 H VAL A 94 -9.618 4.647 6.568 1.00 0.00 H new ATOM 0 HA VAL A 94 -11.383 3.196 8.441 1.00 0.00 H new ATOM 0 HB VAL A 94 -8.407 3.736 8.775 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -8.583 2.118 10.626 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -9.633 3.532 10.879 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -10.334 1.989 10.339 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -8.070 1.329 8.353 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -9.797 1.164 7.958 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -8.743 2.165 6.933 1.00 0.00 H new ATOM 1332 N ALA A 95 -11.484 5.127 10.069 1.00 0.00 N ATOM 1333 CA ALA A 95 -11.717 6.322 10.876 1.00 0.00 C ATOM 1334 C ALA A 95 -11.731 5.991 12.367 1.00 0.00 C ATOM 1335 O ALA A 95 -11.302 6.851 13.165 1.00 0.00 O ATOM 1336 CB ALA A 95 -13.025 6.983 10.466 1.00 0.00 C ATOM 0 H ALA A 95 -12.014 4.308 10.368 1.00 0.00 H new ATOM 0 HA ALA A 95 -10.896 7.017 10.697 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -13.189 7.873 11.074 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -12.976 7.266 9.414 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -13.848 6.284 10.616 1.00 0.00 H new TER 1342 ALA A 95