USER MOD reduce.3.24.130724 H: found=0, std=0, add=681, rem=0, adj=11 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= -0.037 K(o=0.0009,f=0.57) USER MOD Set 1.2: A 83 GLN : amide:sc= 0.0379 X(o=0.0009,f=-0.3) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 HIS : no HD1:sc= -1.53 X(o=-1.5,f=-1.1) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.0044 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= 0 X(o=0,f=-0.026) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 43 HIS : no HD1:sc= -0.131 X(o=-0.13,f=0) USER MOD Single : A 46 GLN : amide:sc= -1.26 K(o=-1.3,f=-3.7!) USER MOD Single : A 51 CYS SG : rot -119:sc= 0.126 USER MOD Single : A 55 HIS : no HE2:sc= -4.29! X(o=-4.3!,f=-4.1) USER MOD Single : A 67 ASN : amide:sc= 0.0704 K(o=0.07,f=-1.7!) USER MOD Single : A 71 THR OG1 : rot 96:sc= -1.83 USER MOD Single : A 72 LYS NZ :NH3+ 156:sc= -0.177 (180deg=-0.669) USER MOD Single : A 73 HIS : no HD1:sc= 0 X(o=0,f=-0.00056) USER MOD Single : A 74 LYS NZ :NH3+ 166:sc= -0.0048 (180deg=-0.0894) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0.0331 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 GLN : amide:sc= -0.131 K(o=-0.13,f=-1.1!) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 9 -15.667 0.308 3.316 1.00 0.00 N ATOM 2 CA PRO A 9 -15.787 0.037 1.856 1.00 0.00 C ATOM 3 C PRO A 9 -14.462 -0.427 1.249 1.00 0.00 C ATOM 4 O PRO A 9 -13.460 0.289 1.304 1.00 0.00 O ATOM 5 CB PRO A 9 -16.252 1.326 1.185 1.00 0.00 C ATOM 6 CG PRO A 9 -16.218 2.344 2.275 1.00 0.00 C ATOM 7 CD PRO A 9 -16.353 1.585 3.573 1.00 0.00 C ATOM 0 HA PRO A 9 -16.503 -0.769 1.696 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -15.595 1.604 0.361 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -17.255 1.220 0.772 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -15.286 2.908 2.250 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -17.029 3.063 2.160 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -15.893 2.125 4.400 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -17.399 1.429 3.837 1.00 0.00 H new ATOM 17 N ILE A 10 -14.465 -1.627 0.668 1.00 0.00 N ATOM 18 CA ILE A 10 -13.262 -2.182 0.052 1.00 0.00 C ATOM 19 C ILE A 10 -13.019 -1.572 -1.333 1.00 0.00 C ATOM 20 O ILE A 10 -13.821 -1.750 -2.253 1.00 0.00 O ATOM 21 CB ILE A 10 -13.336 -3.727 -0.059 1.00 0.00 C ATOM 22 CG1 ILE A 10 -12.013 -4.292 -0.589 1.00 0.00 C ATOM 23 CG2 ILE A 10 -14.498 -4.159 -0.946 1.00 0.00 C ATOM 24 CD1 ILE A 10 -11.131 -4.889 0.488 1.00 0.00 C ATOM 0 H ILE A 10 -15.285 -2.231 0.612 1.00 0.00 H new ATOM 0 HA ILE A 10 -12.425 -1.926 0.702 1.00 0.00 H new ATOM 0 HB ILE A 10 -13.509 -4.129 0.939 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -12.228 -5.057 -1.336 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -11.465 -3.497 -1.095 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -14.525 -5.247 -1.006 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -15.434 -3.795 -0.522 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -14.367 -3.744 -1.945 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -10.213 -5.268 0.038 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -10.885 -4.123 1.223 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -11.659 -5.706 0.979 1.00 0.00 H new ATOM 36 N ARG A 11 -11.907 -0.846 -1.470 1.00 0.00 N ATOM 37 CA ARG A 11 -11.557 -0.207 -2.736 1.00 0.00 C ATOM 38 C ARG A 11 -10.190 -0.676 -3.228 1.00 0.00 C ATOM 39 O ARG A 11 -9.198 -0.607 -2.498 1.00 0.00 O ATOM 40 CB ARG A 11 -11.560 1.317 -2.591 1.00 0.00 C ATOM 41 CG ARG A 11 -11.703 2.052 -3.915 1.00 0.00 C ATOM 42 CD ARG A 11 -12.255 3.454 -3.719 1.00 0.00 C ATOM 43 NE ARG A 11 -13.228 3.809 -4.751 1.00 0.00 N ATOM 44 CZ ARG A 11 -12.903 4.169 -5.997 1.00 0.00 C ATOM 45 NH1 ARG A 11 -11.627 4.214 -6.378 1.00 0.00 N ATOM 46 NH2 ARG A 11 -13.859 4.480 -6.866 1.00 0.00 N ATOM 0 H ARG A 11 -11.235 -0.687 -0.719 1.00 0.00 H new ATOM 0 HA ARG A 11 -12.309 -0.495 -3.471 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -12.377 1.610 -1.932 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -10.634 1.630 -2.109 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -10.732 2.108 -4.408 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -12.363 1.489 -4.575 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -12.725 3.525 -2.738 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -11.435 4.172 -3.732 1.00 0.00 H new ATOM 0 HE ARG A 11 -14.217 3.780 -4.505 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -10.889 3.973 -5.717 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -11.389 4.490 -7.331 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -14.838 4.444 -6.582 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -13.614 4.755 -7.817 1.00 0.00 H new ATOM 60 N LYS A 12 -10.145 -1.146 -4.473 1.00 0.00 N ATOM 61 CA LYS A 12 -8.900 -1.622 -5.070 1.00 0.00 C ATOM 62 C LYS A 12 -8.466 -0.713 -6.217 1.00 0.00 C ATOM 63 O LYS A 12 -9.141 -0.625 -7.245 1.00 0.00 O ATOM 64 CB LYS A 12 -9.051 -3.068 -5.565 1.00 0.00 C ATOM 65 CG LYS A 12 -10.353 -3.341 -6.303 1.00 0.00 C ATOM 66 CD LYS A 12 -11.443 -3.822 -5.357 1.00 0.00 C ATOM 67 CE LYS A 12 -12.814 -3.748 -6.010 1.00 0.00 C ATOM 68 NZ LYS A 12 -13.704 -4.857 -5.569 1.00 0.00 N ATOM 0 H LYS A 12 -10.957 -1.207 -5.088 1.00 0.00 H new ATOM 0 HA LYS A 12 -8.129 -1.599 -4.300 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -8.216 -3.303 -6.225 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -8.982 -3.742 -4.711 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -10.683 -2.433 -6.808 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -10.184 -4.091 -7.075 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -11.237 -4.849 -5.054 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -11.436 -3.215 -4.452 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -13.279 -2.792 -5.768 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -12.701 -3.783 -7.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -14.628 -4.768 -6.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -13.273 -5.769 -5.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -13.833 -4.809 -4.538 1.00 0.00 H new ATOM 82 N VAL A 13 -7.335 -0.036 -6.028 1.00 0.00 N ATOM 83 CA VAL A 13 -6.801 0.874 -7.039 1.00 0.00 C ATOM 84 C VAL A 13 -5.510 0.318 -7.644 1.00 0.00 C ATOM 85 O VAL A 13 -4.710 -0.314 -6.950 1.00 0.00 O ATOM 86 CB VAL A 13 -6.525 2.277 -6.446 1.00 0.00 C ATOM 87 CG1 VAL A 13 -6.184 3.277 -7.543 1.00 0.00 C ATOM 88 CG2 VAL A 13 -7.719 2.763 -5.634 1.00 0.00 C ATOM 0 H VAL A 13 -6.769 -0.101 -5.182 1.00 0.00 H new ATOM 0 HA VAL A 13 -7.556 0.966 -7.820 1.00 0.00 H new ATOM 0 HB VAL A 13 -5.665 2.196 -5.781 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -5.995 4.254 -7.099 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -5.294 2.943 -8.076 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -7.019 3.351 -8.240 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -7.504 3.751 -5.226 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -8.598 2.819 -6.277 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -7.911 2.067 -4.817 1.00 0.00 H new ATOM 98 N LEU A 14 -5.314 0.562 -8.939 1.00 0.00 N ATOM 99 CA LEU A 14 -4.122 0.091 -9.640 1.00 0.00 C ATOM 100 C LEU A 14 -3.079 1.202 -9.732 1.00 0.00 C ATOM 101 O LEU A 14 -3.351 2.277 -10.271 1.00 0.00 O ATOM 102 CB LEU A 14 -4.494 -0.405 -11.043 1.00 0.00 C ATOM 103 CG LEU A 14 -3.324 -0.927 -11.885 1.00 0.00 C ATOM 104 CD1 LEU A 14 -3.746 -2.151 -12.686 1.00 0.00 C ATOM 105 CD2 LEU A 14 -2.801 0.164 -12.811 1.00 0.00 C ATOM 0 H LEU A 14 -5.967 1.084 -9.524 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.694 -0.738 -9.076 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -5.233 -1.200 -10.945 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -4.974 0.411 -11.584 1.00 0.00 H new ATOM 0 HG LEU A 14 -2.519 -1.219 -11.210 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -2.903 -2.507 -13.277 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -4.070 -2.938 -12.005 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -4.568 -1.885 -13.350 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -1.971 -0.226 -13.400 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -3.599 0.488 -13.479 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -2.458 1.011 -12.217 1.00 0.00 H new ATOM 117 N LEU A 15 -1.887 0.937 -9.198 1.00 0.00 N ATOM 118 CA LEU A 15 -0.805 1.915 -9.213 1.00 0.00 C ATOM 119 C LEU A 15 0.301 1.502 -10.181 1.00 0.00 C ATOM 120 O LEU A 15 0.867 0.411 -10.068 1.00 0.00 O ATOM 121 CB LEU A 15 -0.233 2.095 -7.805 1.00 0.00 C ATOM 122 CG LEU A 15 0.133 3.535 -7.435 1.00 0.00 C ATOM 123 CD1 LEU A 15 0.020 3.745 -5.932 1.00 0.00 C ATOM 124 CD2 LEU A 15 1.535 3.872 -7.924 1.00 0.00 C ATOM 0 H LEU A 15 -1.648 0.052 -8.750 1.00 0.00 H new ATOM 0 HA LEU A 15 -1.216 2.865 -9.555 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -0.961 1.724 -7.083 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.657 1.473 -7.708 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.570 4.207 -7.927 1.00 0.00 H new ATOM 0 HD11 LEU A 15 0.284 4.774 -5.688 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -1.003 3.547 -5.613 1.00 0.00 H new ATOM 0 HD13 LEU A 15 0.698 3.064 -5.418 1.00 0.00 H new ATOM 0 HD21 LEU A 15 1.778 4.899 -7.652 1.00 0.00 H new ATOM 0 HD22 LEU A 15 2.254 3.195 -7.463 1.00 0.00 H new ATOM 0 HD23 LEU A 15 1.578 3.764 -9.008 1.00 0.00 H new ATOM 136 N LEU A 16 0.605 2.387 -11.128 1.00 0.00 N ATOM 137 CA LEU A 16 1.643 2.130 -12.120 1.00 0.00 C ATOM 138 C LEU A 16 2.876 2.986 -11.845 1.00 0.00 C ATOM 139 O LEU A 16 2.819 4.216 -11.924 1.00 0.00 O ATOM 140 CB LEU A 16 1.112 2.410 -13.529 1.00 0.00 C ATOM 141 CG LEU A 16 2.005 1.918 -14.671 1.00 0.00 C ATOM 142 CD1 LEU A 16 1.158 1.440 -15.841 1.00 0.00 C ATOM 143 CD2 LEU A 16 2.960 3.018 -15.116 1.00 0.00 C ATOM 0 H LEU A 16 0.144 3.292 -11.228 1.00 0.00 H new ATOM 0 HA LEU A 16 1.929 1.080 -12.052 1.00 0.00 H new ATOM 0 HB2 LEU A 16 0.131 1.945 -13.630 1.00 0.00 H new ATOM 0 HB3 LEU A 16 0.968 3.485 -13.639 1.00 0.00 H new ATOM 0 HG LEU A 16 2.596 1.077 -14.308 1.00 0.00 H new ATOM 0 HD11 LEU A 16 1.809 1.094 -16.644 1.00 0.00 H new ATOM 0 HD12 LEU A 16 0.517 0.621 -15.515 1.00 0.00 H new ATOM 0 HD13 LEU A 16 0.541 2.262 -16.203 1.00 0.00 H new ATOM 0 HD21 LEU A 16 3.586 2.649 -15.928 1.00 0.00 H new ATOM 0 HD22 LEU A 16 2.388 3.879 -15.461 1.00 0.00 H new ATOM 0 HD23 LEU A 16 3.590 3.314 -14.277 1.00 0.00 H new ATOM 155 N LYS A 17 3.988 2.328 -11.524 1.00 0.00 N ATOM 156 CA LYS A 17 5.239 3.026 -11.241 1.00 0.00 C ATOM 157 C LYS A 17 6.393 2.420 -12.036 1.00 0.00 C ATOM 158 O LYS A 17 6.490 1.199 -12.174 1.00 0.00 O ATOM 159 CB LYS A 17 5.553 2.984 -9.740 1.00 0.00 C ATOM 160 CG LYS A 17 5.673 1.577 -9.170 1.00 0.00 C ATOM 161 CD LYS A 17 6.959 1.405 -8.376 1.00 0.00 C ATOM 162 CE LYS A 17 7.037 0.030 -7.729 1.00 0.00 C ATOM 163 NZ LYS A 17 8.174 -0.077 -6.771 1.00 0.00 N ATOM 0 H LYS A 17 4.048 1.312 -11.454 1.00 0.00 H new ATOM 0 HA LYS A 17 5.119 4.066 -11.545 1.00 0.00 H new ATOM 0 HB2 LYS A 17 6.486 3.518 -9.560 1.00 0.00 H new ATOM 0 HB3 LYS A 17 4.770 3.518 -9.201 1.00 0.00 H new ATOM 0 HG2 LYS A 17 4.817 1.369 -8.528 1.00 0.00 H new ATOM 0 HG3 LYS A 17 5.646 0.851 -9.982 1.00 0.00 H new ATOM 0 HD2 LYS A 17 7.816 1.547 -9.035 1.00 0.00 H new ATOM 0 HD3 LYS A 17 7.018 2.174 -7.606 1.00 0.00 H new ATOM 0 HE2 LYS A 17 6.103 -0.178 -7.207 1.00 0.00 H new ATOM 0 HE3 LYS A 17 7.144 -0.729 -8.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 8.188 -1.030 -6.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 9.068 0.095 -7.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 8.060 0.629 -6.016 1.00 0.00 H new ATOM 177 N GLU A 18 7.264 3.281 -12.557 1.00 0.00 N ATOM 178 CA GLU A 18 8.413 2.833 -13.339 1.00 0.00 C ATOM 179 C GLU A 18 9.550 2.372 -12.427 1.00 0.00 C ATOM 180 O GLU A 18 9.557 2.668 -11.231 1.00 0.00 O ATOM 181 CB GLU A 18 8.902 3.957 -14.258 1.00 0.00 C ATOM 182 CG GLU A 18 9.259 3.482 -15.661 1.00 0.00 C ATOM 183 CD GLU A 18 8.070 3.474 -16.607 1.00 0.00 C ATOM 184 OE1 GLU A 18 6.993 2.980 -16.209 1.00 0.00 O ATOM 185 OE2 GLU A 18 8.220 3.960 -17.747 1.00 0.00 O ATOM 0 H GLU A 18 7.196 4.293 -12.452 1.00 0.00 H new ATOM 0 HA GLU A 18 8.097 1.987 -13.949 1.00 0.00 H new ATOM 0 HB2 GLU A 18 8.128 4.721 -14.328 1.00 0.00 H new ATOM 0 HB3 GLU A 18 9.776 4.428 -13.809 1.00 0.00 H new ATOM 0 HG2 GLU A 18 10.037 4.127 -16.070 1.00 0.00 H new ATOM 0 HG3 GLU A 18 9.676 2.477 -15.603 1.00 0.00 H new ATOM 192 N ASP A 19 10.514 1.646 -13.003 1.00 0.00 N ATOM 193 CA ASP A 19 11.662 1.145 -12.243 1.00 0.00 C ATOM 194 C ASP A 19 12.414 2.291 -11.570 1.00 0.00 C ATOM 195 O ASP A 19 12.874 2.159 -10.435 1.00 0.00 O ATOM 196 CB ASP A 19 12.612 0.357 -13.154 1.00 0.00 C ATOM 197 CG ASP A 19 12.281 -1.124 -13.197 1.00 0.00 C ATOM 198 OD1 ASP A 19 12.417 -1.795 -12.151 1.00 0.00 O ATOM 199 OD2 ASP A 19 11.886 -1.613 -14.276 1.00 0.00 O ATOM 0 H ASP A 19 10.521 1.393 -13.991 1.00 0.00 H new ATOM 0 HA ASP A 19 11.284 0.478 -11.469 1.00 0.00 H new ATOM 0 HB2 ASP A 19 12.565 0.766 -14.163 1.00 0.00 H new ATOM 0 HB3 ASP A 19 13.636 0.487 -12.805 1.00 0.00 H new ATOM 204 N HIS A 20 12.527 3.418 -12.274 1.00 0.00 N ATOM 205 CA HIS A 20 13.213 4.591 -11.739 1.00 0.00 C ATOM 206 C HIS A 20 12.333 5.328 -10.719 1.00 0.00 C ATOM 207 O HIS A 20 12.844 5.957 -9.792 1.00 0.00 O ATOM 208 CB HIS A 20 13.627 5.536 -12.877 1.00 0.00 C ATOM 209 CG HIS A 20 12.478 6.076 -13.677 1.00 0.00 C ATOM 210 ND1 HIS A 20 11.833 7.254 -13.367 1.00 0.00 N ATOM 211 CD2 HIS A 20 11.862 5.594 -14.784 1.00 0.00 C ATOM 212 CE1 HIS A 20 10.870 7.472 -14.245 1.00 0.00 C ATOM 213 NE2 HIS A 20 10.865 6.479 -15.115 1.00 0.00 N ATOM 0 H HIS A 20 12.152 3.542 -13.215 1.00 0.00 H new ATOM 0 HA HIS A 20 14.112 4.252 -11.224 1.00 0.00 H new ATOM 0 HB2 HIS A 20 14.186 6.371 -12.455 1.00 0.00 H new ATOM 0 HB3 HIS A 20 14.304 5.005 -13.547 1.00 0.00 H new ATOM 0 HD2 HIS A 20 12.109 4.683 -15.309 1.00 0.00 H new ATOM 0 HE1 HIS A 20 10.200 8.319 -14.250 1.00 0.00 H new ATOM 0 HE2 HIS A 20 10.225 6.384 -15.904 1.00 0.00 H new ATOM 222 N GLU A 21 11.009 5.242 -10.897 1.00 0.00 N ATOM 223 CA GLU A 21 10.057 5.895 -9.994 1.00 0.00 C ATOM 224 C GLU A 21 9.901 5.112 -8.685 1.00 0.00 C ATOM 225 O GLU A 21 10.480 4.035 -8.522 1.00 0.00 O ATOM 226 CB GLU A 21 8.693 6.034 -10.679 1.00 0.00 C ATOM 227 CG GLU A 21 8.606 7.206 -11.645 1.00 0.00 C ATOM 228 CD GLU A 21 7.284 7.946 -11.552 1.00 0.00 C ATOM 229 OE1 GLU A 21 6.225 7.294 -11.677 1.00 0.00 O ATOM 230 OE2 GLU A 21 7.307 9.180 -11.356 1.00 0.00 O ATOM 0 H GLU A 21 10.573 4.725 -11.661 1.00 0.00 H new ATOM 0 HA GLU A 21 10.448 6.884 -9.755 1.00 0.00 H new ATOM 0 HB2 GLU A 21 8.473 5.113 -11.219 1.00 0.00 H new ATOM 0 HB3 GLU A 21 7.924 6.147 -9.915 1.00 0.00 H new ATOM 0 HG2 GLU A 21 9.421 7.900 -11.441 1.00 0.00 H new ATOM 0 HG3 GLU A 21 8.743 6.843 -12.663 1.00 0.00 H new ATOM 237 N GLY A 22 9.115 5.666 -7.754 1.00 0.00 N ATOM 238 CA GLY A 22 8.895 5.012 -6.471 1.00 0.00 C ATOM 239 C GLY A 22 7.429 4.971 -6.067 1.00 0.00 C ATOM 240 O GLY A 22 6.548 4.814 -6.916 1.00 0.00 O ATOM 0 H GLY A 22 8.629 6.555 -7.868 1.00 0.00 H new ATOM 0 HA2 GLY A 22 9.282 3.994 -6.518 1.00 0.00 H new ATOM 0 HA3 GLY A 22 9.464 5.534 -5.701 1.00 0.00 H new ATOM 244 N LEU A 23 7.170 5.107 -4.761 1.00 0.00 N ATOM 245 CA LEU A 23 5.802 5.081 -4.231 1.00 0.00 C ATOM 246 C LEU A 23 5.233 6.496 -4.102 1.00 0.00 C ATOM 247 O LEU A 23 4.301 6.864 -4.819 1.00 0.00 O ATOM 248 CB LEU A 23 5.767 4.380 -2.863 1.00 0.00 C ATOM 249 CG LEU A 23 5.484 2.875 -2.904 1.00 0.00 C ATOM 250 CD1 LEU A 23 5.893 2.221 -1.592 1.00 0.00 C ATOM 251 CD2 LEU A 23 4.011 2.618 -3.193 1.00 0.00 C ATOM 0 H LEU A 23 7.891 5.236 -4.051 1.00 0.00 H new ATOM 0 HA LEU A 23 5.185 4.523 -4.935 1.00 0.00 H new ATOM 0 HB2 LEU A 23 6.725 4.539 -2.367 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.006 4.859 -2.247 1.00 0.00 H new ATOM 0 HG LEU A 23 6.074 2.434 -3.707 1.00 0.00 H new ATOM 0 HD11 LEU A 23 5.685 1.152 -1.638 1.00 0.00 H new ATOM 0 HD12 LEU A 23 6.959 2.377 -1.425 1.00 0.00 H new ATOM 0 HD13 LEU A 23 5.328 2.665 -0.772 1.00 0.00 H new ATOM 0 HD21 LEU A 23 3.827 1.544 -3.219 1.00 0.00 H new ATOM 0 HD22 LEU A 23 3.402 3.072 -2.411 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.748 3.054 -4.157 1.00 0.00 H new ATOM 263 N GLY A 24 5.799 7.282 -3.182 1.00 0.00 N ATOM 264 CA GLY A 24 5.335 8.646 -2.973 1.00 0.00 C ATOM 265 C GLY A 24 4.446 8.810 -1.746 1.00 0.00 C ATOM 266 O GLY A 24 3.917 9.896 -1.507 1.00 0.00 O ATOM 0 H GLY A 24 6.570 6.997 -2.579 1.00 0.00 H new ATOM 0 HA2 GLY A 24 6.199 9.303 -2.875 1.00 0.00 H new ATOM 0 HA3 GLY A 24 4.785 8.972 -3.856 1.00 0.00 H new ATOM 270 N ILE A 25 4.274 7.739 -0.967 1.00 0.00 N ATOM 271 CA ILE A 25 3.439 7.791 0.234 1.00 0.00 C ATOM 272 C ILE A 25 4.101 7.065 1.402 1.00 0.00 C ATOM 273 O ILE A 25 4.958 6.202 1.204 1.00 0.00 O ATOM 274 CB ILE A 25 2.044 7.175 -0.014 1.00 0.00 C ATOM 275 CG1 ILE A 25 2.171 5.738 -0.530 1.00 0.00 C ATOM 276 CG2 ILE A 25 1.253 8.031 -0.991 1.00 0.00 C ATOM 277 CD1 ILE A 25 2.107 4.695 0.565 1.00 0.00 C ATOM 0 H ILE A 25 4.700 6.830 -1.146 1.00 0.00 H new ATOM 0 HA ILE A 25 3.322 8.845 0.484 1.00 0.00 H new ATOM 0 HB ILE A 25 1.505 7.148 0.933 1.00 0.00 H new ATOM 0 HG12 ILE A 25 1.375 5.547 -1.250 1.00 0.00 H new ATOM 0 HG13 ILE A 25 3.115 5.635 -1.065 1.00 0.00 H new ATOM 0 HG21 ILE A 25 0.273 7.584 -1.155 1.00 0.00 H new ATOM 0 HG22 ILE A 25 1.130 9.033 -0.580 1.00 0.00 H new ATOM 0 HG23 ILE A 25 1.788 8.090 -1.939 1.00 0.00 H new ATOM 0 HD11 ILE A 25 2.203 3.701 0.127 1.00 0.00 H new ATOM 0 HD12 ILE A 25 2.919 4.860 1.273 1.00 0.00 H new ATOM 0 HD13 ILE A 25 1.152 4.771 1.085 1.00 0.00 H new ATOM 289 N SER A 26 3.691 7.420 2.620 1.00 0.00 N ATOM 290 CA SER A 26 4.237 6.803 3.827 1.00 0.00 C ATOM 291 C SER A 26 3.171 5.973 4.543 1.00 0.00 C ATOM 292 O SER A 26 2.024 6.404 4.680 1.00 0.00 O ATOM 293 CB SER A 26 4.787 7.879 4.770 1.00 0.00 C ATOM 294 OG SER A 26 5.489 8.881 4.051 1.00 0.00 O ATOM 0 H SER A 26 2.982 8.132 2.796 1.00 0.00 H new ATOM 0 HA SER A 26 5.050 6.139 3.533 1.00 0.00 H new ATOM 0 HB2 SER A 26 3.967 8.334 5.325 1.00 0.00 H new ATOM 0 HB3 SER A 26 5.452 7.420 5.502 1.00 0.00 H new ATOM 0 HG SER A 26 5.828 9.556 4.676 1.00 0.00 H new ATOM 300 N ILE A 27 3.560 4.780 4.997 1.00 0.00 N ATOM 301 CA ILE A 27 2.639 3.885 5.699 1.00 0.00 C ATOM 302 C ILE A 27 3.100 3.625 7.134 1.00 0.00 C ATOM 303 O ILE A 27 4.278 3.789 7.459 1.00 0.00 O ATOM 304 CB ILE A 27 2.482 2.534 4.963 1.00 0.00 C ATOM 305 CG1 ILE A 27 3.854 1.920 4.656 1.00 0.00 C ATOM 306 CG2 ILE A 27 1.674 2.712 3.683 1.00 0.00 C ATOM 307 CD1 ILE A 27 3.886 0.412 4.783 1.00 0.00 C ATOM 0 H ILE A 27 4.505 4.412 4.891 1.00 0.00 H new ATOM 0 HA ILE A 27 1.673 4.389 5.719 1.00 0.00 H new ATOM 0 HB ILE A 27 1.942 1.850 5.617 1.00 0.00 H new ATOM 0 HG12 ILE A 27 4.148 2.197 3.644 1.00 0.00 H new ATOM 0 HG13 ILE A 27 4.594 2.349 5.332 1.00 0.00 H new ATOM 0 HG21 ILE A 27 1.574 1.751 3.179 1.00 0.00 H new ATOM 0 HG22 ILE A 27 0.684 3.098 3.928 1.00 0.00 H new ATOM 0 HG23 ILE A 27 2.185 3.415 3.025 1.00 0.00 H new ATOM 0 HD11 ILE A 27 4.887 0.049 4.551 1.00 0.00 H new ATOM 0 HD12 ILE A 27 3.623 0.127 5.802 1.00 0.00 H new ATOM 0 HD13 ILE A 27 3.171 -0.027 4.087 1.00 0.00 H new ATOM 319 N THR A 28 2.159 3.221 7.989 1.00 0.00 N ATOM 320 CA THR A 28 2.463 2.942 9.392 1.00 0.00 C ATOM 321 C THR A 28 1.648 1.754 9.912 1.00 0.00 C ATOM 322 O THR A 28 0.562 1.463 9.403 1.00 0.00 O ATOM 323 CB THR A 28 2.199 4.191 10.248 1.00 0.00 C ATOM 324 OG1 THR A 28 2.371 3.907 11.626 1.00 0.00 O ATOM 325 CG2 THR A 28 0.807 4.766 10.065 1.00 0.00 C ATOM 0 H THR A 28 1.181 3.080 7.734 1.00 0.00 H new ATOM 0 HA THR A 28 3.518 2.678 9.465 1.00 0.00 H new ATOM 0 HB THR A 28 2.925 4.928 9.905 1.00 0.00 H new ATOM 0 HG1 THR A 28 2.200 4.717 12.151 1.00 0.00 H new ATOM 0 HG21 THR A 28 0.690 5.645 10.699 1.00 0.00 H new ATOM 0 HG22 THR A 28 0.664 5.049 9.022 1.00 0.00 H new ATOM 0 HG23 THR A 28 0.065 4.018 10.342 1.00 0.00 H new ATOM 333 N GLY A 29 2.184 1.075 10.931 1.00 0.00 N ATOM 334 CA GLY A 29 1.505 -0.074 11.514 1.00 0.00 C ATOM 335 C GLY A 29 2.444 -1.248 11.757 1.00 0.00 C ATOM 336 O GLY A 29 3.666 -1.094 11.689 1.00 0.00 O ATOM 0 H GLY A 29 3.080 1.303 11.363 1.00 0.00 H new ATOM 0 HA2 GLY A 29 1.046 0.220 12.458 1.00 0.00 H new ATOM 0 HA3 GLY A 29 0.699 -0.389 10.852 1.00 0.00 H new ATOM 340 N GLY A 30 1.875 -2.425 12.036 1.00 0.00 N ATOM 341 CA GLY A 30 2.689 -3.607 12.278 1.00 0.00 C ATOM 342 C GLY A 30 1.874 -4.796 12.762 1.00 0.00 C ATOM 343 O GLY A 30 1.199 -4.712 13.790 1.00 0.00 O ATOM 0 H GLY A 30 0.868 -2.578 12.098 1.00 0.00 H new ATOM 0 HA2 GLY A 30 3.209 -3.879 11.359 1.00 0.00 H new ATOM 0 HA3 GLY A 30 3.453 -3.371 13.019 1.00 0.00 H new ATOM 347 N LYS A 31 1.946 -5.908 12.023 1.00 0.00 N ATOM 348 CA LYS A 31 1.216 -7.128 12.383 1.00 0.00 C ATOM 349 C LYS A 31 1.628 -7.626 13.768 1.00 0.00 C ATOM 350 O LYS A 31 0.794 -8.108 14.536 1.00 0.00 O ATOM 351 CB LYS A 31 1.456 -8.228 11.344 1.00 0.00 C ATOM 352 CG LYS A 31 0.240 -9.104 11.088 1.00 0.00 C ATOM 353 CD LYS A 31 0.104 -10.205 12.132 1.00 0.00 C ATOM 354 CE LYS A 31 -1.356 -10.548 12.392 1.00 0.00 C ATOM 355 NZ LYS A 31 -1.510 -11.832 13.135 1.00 0.00 N ATOM 0 H LYS A 31 2.502 -5.988 11.172 1.00 0.00 H new ATOM 0 HA LYS A 31 0.154 -6.884 12.403 1.00 0.00 H new ATOM 0 HB2 LYS A 31 1.765 -7.768 10.406 1.00 0.00 H new ATOM 0 HB3 LYS A 31 2.282 -8.857 11.678 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -0.659 -8.487 11.091 1.00 0.00 H new ATOM 0 HG3 LYS A 31 0.317 -9.551 10.097 1.00 0.00 H new ATOM 0 HD2 LYS A 31 0.634 -11.096 11.794 1.00 0.00 H new ATOM 0 HD3 LYS A 31 0.576 -9.887 13.062 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -1.821 -9.743 12.961 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -1.887 -10.614 11.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -2.520 -12.025 13.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -1.090 -12.606 12.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -1.027 -11.762 14.053 1.00 0.00 H new ATOM 369 N GLU A 32 2.919 -7.500 14.081 1.00 0.00 N ATOM 370 CA GLU A 32 3.448 -7.927 15.375 1.00 0.00 C ATOM 371 C GLU A 32 2.752 -7.186 16.523 1.00 0.00 C ATOM 372 O GLU A 32 2.587 -7.734 17.614 1.00 0.00 O ATOM 373 CB GLU A 32 4.958 -7.680 15.428 1.00 0.00 C ATOM 374 CG GLU A 32 5.669 -8.449 16.531 1.00 0.00 C ATOM 375 CD GLU A 32 7.162 -8.179 16.563 1.00 0.00 C ATOM 376 OE1 GLU A 32 7.553 -6.994 16.657 1.00 0.00 O ATOM 377 OE2 GLU A 32 7.941 -9.152 16.494 1.00 0.00 O ATOM 0 H GLU A 32 3.618 -7.104 13.453 1.00 0.00 H new ATOM 0 HA GLU A 32 3.254 -8.993 15.491 1.00 0.00 H new ATOM 0 HB2 GLU A 32 5.395 -7.954 14.468 1.00 0.00 H new ATOM 0 HB3 GLU A 32 5.137 -6.614 15.568 1.00 0.00 H new ATOM 0 HG2 GLU A 32 5.234 -8.181 17.494 1.00 0.00 H new ATOM 0 HG3 GLU A 32 5.500 -9.517 16.391 1.00 0.00 H new ATOM 384 N HIS A 33 2.337 -5.944 16.264 1.00 0.00 N ATOM 385 CA HIS A 33 1.648 -5.135 17.270 1.00 0.00 C ATOM 386 C HIS A 33 0.169 -5.517 17.366 1.00 0.00 C ATOM 387 O HIS A 33 -0.449 -5.364 18.420 1.00 0.00 O ATOM 388 CB HIS A 33 1.773 -3.643 16.941 1.00 0.00 C ATOM 389 CG HIS A 33 3.188 -3.151 16.853 1.00 0.00 C ATOM 390 ND1 HIS A 33 4.220 -3.672 17.609 1.00 0.00 N ATOM 391 CD2 HIS A 33 3.740 -2.172 16.095 1.00 0.00 C ATOM 392 CE1 HIS A 33 5.341 -3.034 17.320 1.00 0.00 C ATOM 393 NE2 HIS A 33 5.077 -2.121 16.405 1.00 0.00 N ATOM 0 H HIS A 33 2.466 -5.477 15.366 1.00 0.00 H new ATOM 0 HA HIS A 33 2.122 -5.331 18.232 1.00 0.00 H new ATOM 0 HB2 HIS A 33 1.272 -3.448 15.993 1.00 0.00 H new ATOM 0 HB3 HIS A 33 1.247 -3.069 17.703 1.00 0.00 H new ATOM 0 HD2 HIS A 33 3.224 -1.548 15.380 1.00 0.00 H new ATOM 0 HE1 HIS A 33 6.309 -3.227 17.759 1.00 0.00 H new ATOM 0 HE2 HIS A 33 5.756 -1.481 15.994 1.00 0.00 H new ATOM 402 N GLY A 34 -0.391 -6.010 16.260 1.00 0.00 N ATOM 403 CA GLY A 34 -1.790 -6.402 16.238 1.00 0.00 C ATOM 404 C GLY A 34 -2.672 -5.410 15.498 1.00 0.00 C ATOM 405 O GLY A 34 -3.852 -5.263 15.823 1.00 0.00 O ATOM 0 H GLY A 34 0.103 -6.144 15.378 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -1.880 -7.381 15.768 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -2.149 -6.506 17.262 1.00 0.00 H new ATOM 409 N VAL A 35 -2.106 -4.733 14.497 1.00 0.00 N ATOM 410 CA VAL A 35 -2.855 -3.757 13.707 1.00 0.00 C ATOM 411 C VAL A 35 -2.377 -3.739 12.254 1.00 0.00 C ATOM 412 O VAL A 35 -1.172 -3.694 11.992 1.00 0.00 O ATOM 413 CB VAL A 35 -2.737 -2.330 14.289 1.00 0.00 C ATOM 414 CG1 VAL A 35 -3.566 -2.193 15.557 1.00 0.00 C ATOM 415 CG2 VAL A 35 -1.282 -1.972 14.558 1.00 0.00 C ATOM 0 H VAL A 35 -1.132 -4.843 14.215 1.00 0.00 H new ATOM 0 HA VAL A 35 -3.899 -4.067 13.745 1.00 0.00 H new ATOM 0 HB VAL A 35 -3.128 -1.632 13.549 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -3.467 -1.181 15.949 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -4.613 -2.394 15.331 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -3.212 -2.906 16.302 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -1.225 -0.963 14.967 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -0.860 -2.678 15.273 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -0.718 -2.018 13.627 1.00 0.00 H new ATOM 425 N PRO A 36 -3.317 -3.767 11.286 1.00 0.00 N ATOM 426 CA PRO A 36 -2.984 -3.746 9.854 1.00 0.00 C ATOM 427 C PRO A 36 -2.235 -2.472 9.457 1.00 0.00 C ATOM 428 O PRO A 36 -2.329 -1.451 10.140 1.00 0.00 O ATOM 429 CB PRO A 36 -4.353 -3.805 9.158 1.00 0.00 C ATOM 430 CG PRO A 36 -5.294 -4.322 10.193 1.00 0.00 C ATOM 431 CD PRO A 36 -4.773 -3.818 11.507 1.00 0.00 C ATOM 0 HA PRO A 36 -2.323 -4.567 9.578 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -4.658 -2.820 8.805 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -4.325 -4.461 8.288 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -6.308 -3.966 10.012 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -5.331 -5.411 10.179 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -5.179 -2.837 11.753 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -5.034 -4.486 12.328 1.00 0.00 H new ATOM 439 N ILE A 37 -1.493 -2.535 8.351 1.00 0.00 N ATOM 440 CA ILE A 37 -0.735 -1.381 7.878 1.00 0.00 C ATOM 441 C ILE A 37 -1.635 -0.437 7.084 1.00 0.00 C ATOM 442 O ILE A 37 -2.420 -0.880 6.243 1.00 0.00 O ATOM 443 CB ILE A 37 0.459 -1.797 6.986 1.00 0.00 C ATOM 444 CG1 ILE A 37 1.247 -2.955 7.613 1.00 0.00 C ATOM 445 CG2 ILE A 37 1.375 -0.608 6.736 1.00 0.00 C ATOM 446 CD1 ILE A 37 1.791 -2.654 8.994 1.00 0.00 C ATOM 0 H ILE A 37 -1.402 -3.369 7.770 1.00 0.00 H new ATOM 0 HA ILE A 37 -0.349 -0.875 8.763 1.00 0.00 H new ATOM 0 HB ILE A 37 0.059 -2.141 6.032 1.00 0.00 H new ATOM 0 HG12 ILE A 37 0.601 -3.831 7.671 1.00 0.00 H new ATOM 0 HG13 ILE A 37 2.077 -3.214 6.955 1.00 0.00 H new ATOM 0 HG21 ILE A 37 2.210 -0.918 6.107 1.00 0.00 H new ATOM 0 HG22 ILE A 37 0.817 0.182 6.235 1.00 0.00 H new ATOM 0 HG23 ILE A 37 1.756 -0.236 7.687 1.00 0.00 H new ATOM 0 HD11 ILE A 37 2.335 -3.522 9.368 1.00 0.00 H new ATOM 0 HD12 ILE A 37 2.464 -1.799 8.941 1.00 0.00 H new ATOM 0 HD13 ILE A 37 0.966 -2.425 9.668 1.00 0.00 H new ATOM 458 N LEU A 38 -1.519 0.863 7.353 1.00 0.00 N ATOM 459 CA LEU A 38 -2.329 1.860 6.656 1.00 0.00 C ATOM 460 C LEU A 38 -1.505 3.097 6.291 1.00 0.00 C ATOM 461 O LEU A 38 -0.486 3.389 6.922 1.00 0.00 O ATOM 462 CB LEU A 38 -3.546 2.255 7.504 1.00 0.00 C ATOM 463 CG LEU A 38 -3.236 2.973 8.820 1.00 0.00 C ATOM 464 CD1 LEU A 38 -3.358 4.480 8.646 1.00 0.00 C ATOM 465 CD2 LEU A 38 -4.168 2.485 9.921 1.00 0.00 C ATOM 0 H LEU A 38 -0.876 1.248 8.045 1.00 0.00 H new ATOM 0 HA LEU A 38 -2.681 1.410 5.728 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -4.190 2.898 6.904 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -4.116 1.354 7.729 1.00 0.00 H new ATOM 0 HG LEU A 38 -2.210 2.743 9.108 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -3.134 4.975 9.591 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -2.654 4.817 7.885 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -4.373 4.730 8.337 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -3.936 3.004 10.851 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -5.201 2.689 9.640 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -4.035 1.412 10.061 1.00 0.00 H new ATOM 477 N ILE A 39 -1.961 3.819 5.264 1.00 0.00 N ATOM 478 CA ILE A 39 -1.281 5.027 4.798 1.00 0.00 C ATOM 479 C ILE A 39 -1.622 6.221 5.684 1.00 0.00 C ATOM 480 O ILE A 39 -2.798 6.534 5.892 1.00 0.00 O ATOM 481 CB ILE A 39 -1.656 5.367 3.336 1.00 0.00 C ATOM 482 CG1 ILE A 39 -1.505 4.132 2.440 1.00 0.00 C ATOM 483 CG2 ILE A 39 -0.797 6.514 2.814 1.00 0.00 C ATOM 484 CD1 ILE A 39 -2.283 4.221 1.144 1.00 0.00 C ATOM 0 H ILE A 39 -2.803 3.585 4.738 1.00 0.00 H new ATOM 0 HA ILE A 39 -0.211 4.824 4.850 1.00 0.00 H new ATOM 0 HB ILE A 39 -2.699 5.682 3.315 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -0.449 3.988 2.210 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -1.835 3.252 2.992 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -1.076 6.738 1.784 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -0.954 7.397 3.433 1.00 0.00 H new ATOM 0 HG23 ILE A 39 0.254 6.228 2.851 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -2.127 3.312 0.563 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -3.345 4.334 1.364 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -1.938 5.081 0.571 1.00 0.00 H new ATOM 496 N SER A 40 -0.587 6.883 6.201 1.00 0.00 N ATOM 497 CA SER A 40 -0.769 8.045 7.068 1.00 0.00 C ATOM 498 C SER A 40 -0.532 9.356 6.312 1.00 0.00 C ATOM 499 O SER A 40 -1.276 10.321 6.495 1.00 0.00 O ATOM 500 CB SER A 40 0.175 7.961 8.267 1.00 0.00 C ATOM 501 OG SER A 40 -0.253 8.813 9.315 1.00 0.00 O ATOM 0 H SER A 40 0.388 6.633 6.033 1.00 0.00 H new ATOM 0 HA SER A 40 -1.802 8.038 7.416 1.00 0.00 H new ATOM 0 HB2 SER A 40 0.221 6.933 8.626 1.00 0.00 H new ATOM 0 HB3 SER A 40 1.184 8.237 7.959 1.00 0.00 H new ATOM 0 HG SER A 40 0.367 8.739 10.070 1.00 0.00 H new ATOM 507 N GLU A 41 0.513 9.395 5.477 1.00 0.00 N ATOM 508 CA GLU A 41 0.837 10.601 4.716 1.00 0.00 C ATOM 509 C GLU A 41 0.988 10.307 3.224 1.00 0.00 C ATOM 510 O GLU A 41 1.377 9.204 2.830 1.00 0.00 O ATOM 511 CB GLU A 41 2.123 11.239 5.250 1.00 0.00 C ATOM 512 CG GLU A 41 1.885 12.244 6.369 1.00 0.00 C ATOM 513 CD GLU A 41 3.071 13.161 6.610 1.00 0.00 C ATOM 514 OE1 GLU A 41 3.730 13.563 5.625 1.00 0.00 O ATOM 515 OE2 GLU A 41 3.342 13.479 7.787 1.00 0.00 O ATOM 0 H GLU A 41 1.143 8.610 5.314 1.00 0.00 H new ATOM 0 HA GLU A 41 0.007 11.296 4.840 1.00 0.00 H new ATOM 0 HB2 GLU A 41 2.785 10.453 5.613 1.00 0.00 H new ATOM 0 HB3 GLU A 41 2.640 11.737 4.429 1.00 0.00 H new ATOM 0 HG2 GLU A 41 1.010 12.848 6.127 1.00 0.00 H new ATOM 0 HG3 GLU A 41 1.656 11.706 7.289 1.00 0.00 H new ATOM 522 N ILE A 42 0.677 11.312 2.401 1.00 0.00 N ATOM 523 CA ILE A 42 0.770 11.190 0.949 1.00 0.00 C ATOM 524 C ILE A 42 1.490 12.403 0.352 1.00 0.00 C ATOM 525 O ILE A 42 1.065 13.543 0.550 1.00 0.00 O ATOM 526 CB ILE A 42 -0.630 11.068 0.305 1.00 0.00 C ATOM 527 CG1 ILE A 42 -1.456 9.987 1.012 1.00 0.00 C ATOM 528 CG2 ILE A 42 -0.514 10.765 -1.184 1.00 0.00 C ATOM 529 CD1 ILE A 42 -2.912 9.975 0.600 1.00 0.00 C ATOM 0 H ILE A 42 0.356 12.225 2.722 1.00 0.00 H new ATOM 0 HA ILE A 42 1.338 10.284 0.735 1.00 0.00 H new ATOM 0 HB ILE A 42 -1.143 12.023 0.420 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -1.019 9.011 0.801 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -1.393 10.139 2.089 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -1.511 10.683 -1.617 1.00 0.00 H new ATOM 0 HG22 ILE A 42 0.031 11.569 -1.678 1.00 0.00 H new ATOM 0 HG23 ILE A 42 0.020 9.825 -1.324 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -3.436 9.186 1.139 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -3.365 10.938 0.836 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -2.985 9.793 -0.472 1.00 0.00 H new ATOM 541 N HIS A 43 2.580 12.152 -0.374 1.00 0.00 N ATOM 542 CA HIS A 43 3.353 13.229 -0.991 1.00 0.00 C ATOM 543 C HIS A 43 2.727 13.660 -2.316 1.00 0.00 C ATOM 544 O HIS A 43 2.391 12.821 -3.153 1.00 0.00 O ATOM 545 CB HIS A 43 4.804 12.792 -1.218 1.00 0.00 C ATOM 546 CG HIS A 43 5.527 12.420 0.042 1.00 0.00 C ATOM 547 ND1 HIS A 43 6.581 13.149 0.550 1.00 0.00 N ATOM 548 CD2 HIS A 43 5.337 11.390 0.902 1.00 0.00 C ATOM 549 CE1 HIS A 43 7.008 12.583 1.666 1.00 0.00 C ATOM 550 NE2 HIS A 43 6.268 11.515 1.902 1.00 0.00 N ATOM 0 H HIS A 43 2.946 11.216 -0.548 1.00 0.00 H new ATOM 0 HA HIS A 43 3.343 14.079 -0.309 1.00 0.00 H new ATOM 0 HB2 HIS A 43 4.815 11.940 -1.898 1.00 0.00 H new ATOM 0 HB3 HIS A 43 5.344 13.600 -1.711 1.00 0.00 H new ATOM 0 HD2 HIS A 43 4.591 10.614 0.816 1.00 0.00 H new ATOM 0 HE1 HIS A 43 7.824 12.935 2.280 1.00 0.00 H new ATOM 0 HE2 HIS A 43 6.372 10.886 2.698 1.00 0.00 H new ATOM 559 N PRO A 44 2.560 14.983 -2.523 1.00 0.00 N ATOM 560 CA PRO A 44 1.969 15.526 -3.752 1.00 0.00 C ATOM 561 C PRO A 44 2.920 15.448 -4.944 1.00 0.00 C ATOM 562 O PRO A 44 4.139 15.542 -4.786 1.00 0.00 O ATOM 563 CB PRO A 44 1.682 16.985 -3.392 1.00 0.00 C ATOM 564 CG PRO A 44 2.683 17.322 -2.341 1.00 0.00 C ATOM 565 CD PRO A 44 2.934 16.051 -1.573 1.00 0.00 C ATOM 0 HA PRO A 44 1.086 14.965 -4.059 1.00 0.00 H new ATOM 0 HB2 PRO A 44 1.787 17.635 -4.261 1.00 0.00 H new ATOM 0 HB3 PRO A 44 0.664 17.108 -3.023 1.00 0.00 H new ATOM 0 HG2 PRO A 44 3.605 17.695 -2.787 1.00 0.00 H new ATOM 0 HG3 PRO A 44 2.307 18.106 -1.683 1.00 0.00 H new ATOM 0 HD2 PRO A 44 3.977 15.968 -1.268 1.00 0.00 H new ATOM 0 HD3 PRO A 44 2.332 16.007 -0.665 1.00 0.00 H new ATOM 573 N GLY A 45 2.351 15.276 -6.137 1.00 0.00 N ATOM 574 CA GLY A 45 3.154 15.187 -7.346 1.00 0.00 C ATOM 575 C GLY A 45 3.873 13.855 -7.474 1.00 0.00 C ATOM 576 O GLY A 45 5.015 13.801 -7.931 1.00 0.00 O ATOM 0 H GLY A 45 1.345 15.197 -6.287 1.00 0.00 H new ATOM 0 HA2 GLY A 45 2.513 15.334 -8.215 1.00 0.00 H new ATOM 0 HA3 GLY A 45 3.887 15.993 -7.351 1.00 0.00 H new ATOM 580 N GLN A 46 3.197 12.780 -7.071 1.00 0.00 N ATOM 581 CA GLN A 46 3.762 11.437 -7.140 1.00 0.00 C ATOM 582 C GLN A 46 2.743 10.462 -7.732 1.00 0.00 C ATOM 583 O GLN A 46 1.584 10.827 -7.939 1.00 0.00 O ATOM 584 CB GLN A 46 4.193 10.976 -5.743 1.00 0.00 C ATOM 585 CG GLN A 46 5.698 10.805 -5.597 1.00 0.00 C ATOM 586 CD GLN A 46 6.290 11.694 -4.517 1.00 0.00 C ATOM 587 OE1 GLN A 46 6.984 11.218 -3.619 1.00 0.00 O ATOM 588 NE2 GLN A 46 6.018 12.993 -4.597 1.00 0.00 N ATOM 0 H GLN A 46 2.251 12.816 -6.691 1.00 0.00 H new ATOM 0 HA GLN A 46 4.638 11.457 -7.788 1.00 0.00 H new ATOM 0 HB2 GLN A 46 3.845 11.700 -5.007 1.00 0.00 H new ATOM 0 HB3 GLN A 46 3.704 10.029 -5.515 1.00 0.00 H new ATOM 0 HG2 GLN A 46 5.920 9.763 -5.365 1.00 0.00 H new ATOM 0 HG3 GLN A 46 6.179 11.029 -6.549 1.00 0.00 H new ATOM 0 HE21 GLN A 46 5.438 13.347 -5.358 1.00 0.00 H new ATOM 0 HE22 GLN A 46 6.389 13.636 -3.897 1.00 0.00 H new ATOM 597 N PRO A 47 3.154 9.206 -8.011 1.00 0.00 N ATOM 598 CA PRO A 47 2.259 8.185 -8.578 1.00 0.00 C ATOM 599 C PRO A 47 0.948 8.043 -7.800 1.00 0.00 C ATOM 600 O PRO A 47 -0.095 7.743 -8.383 1.00 0.00 O ATOM 601 CB PRO A 47 3.079 6.899 -8.473 1.00 0.00 C ATOM 602 CG PRO A 47 4.495 7.352 -8.507 1.00 0.00 C ATOM 603 CD PRO A 47 4.519 8.680 -7.798 1.00 0.00 C ATOM 0 HA PRO A 47 1.955 8.438 -9.594 1.00 0.00 H new ATOM 0 HB2 PRO A 47 2.857 6.362 -7.551 1.00 0.00 H new ATOM 0 HB3 PRO A 47 2.860 6.221 -9.298 1.00 0.00 H new ATOM 0 HG2 PRO A 47 5.147 6.633 -8.012 1.00 0.00 H new ATOM 0 HG3 PRO A 47 4.849 7.450 -9.533 1.00 0.00 H new ATOM 0 HD2 PRO A 47 4.745 8.566 -6.738 1.00 0.00 H new ATOM 0 HD3 PRO A 47 5.276 9.345 -8.215 1.00 0.00 H new ATOM 611 N ALA A 48 1.007 8.264 -6.483 1.00 0.00 N ATOM 612 CA ALA A 48 -0.176 8.165 -5.632 1.00 0.00 C ATOM 613 C ALA A 48 -1.192 9.254 -5.974 1.00 0.00 C ATOM 614 O ALA A 48 -2.386 8.979 -6.113 1.00 0.00 O ATOM 615 CB ALA A 48 0.218 8.258 -4.165 1.00 0.00 C ATOM 0 H ALA A 48 1.862 8.512 -5.986 1.00 0.00 H new ATOM 0 HA ALA A 48 -0.641 7.196 -5.813 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -0.674 8.183 -3.543 1.00 0.00 H new ATOM 0 HB2 ALA A 48 0.901 7.445 -3.919 1.00 0.00 H new ATOM 0 HB3 ALA A 48 0.710 9.213 -3.980 1.00 0.00 H new ATOM 621 N ASP A 49 -0.707 10.488 -6.117 1.00 0.00 N ATOM 622 CA ASP A 49 -1.571 11.619 -6.453 1.00 0.00 C ATOM 623 C ASP A 49 -2.087 11.497 -7.887 1.00 0.00 C ATOM 624 O ASP A 49 -3.251 11.788 -8.160 1.00 0.00 O ATOM 625 CB ASP A 49 -0.817 12.941 -6.275 1.00 0.00 C ATOM 626 CG ASP A 49 -1.714 14.151 -6.462 1.00 0.00 C ATOM 627 OD1 ASP A 49 -2.689 14.294 -5.693 1.00 0.00 O ATOM 628 OD2 ASP A 49 -1.442 14.954 -7.378 1.00 0.00 O ATOM 0 H ASP A 49 0.278 10.729 -6.006 1.00 0.00 H new ATOM 0 HA ASP A 49 -2.425 11.608 -5.775 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -0.374 12.972 -5.280 1.00 0.00 H new ATOM 0 HB3 ASP A 49 0.004 12.987 -6.991 1.00 0.00 H new ATOM 633 N ARG A 50 -1.213 11.057 -8.796 1.00 0.00 N ATOM 634 CA ARG A 50 -1.581 10.889 -10.204 1.00 0.00 C ATOM 635 C ARG A 50 -2.728 9.887 -10.366 1.00 0.00 C ATOM 636 O ARG A 50 -3.541 10.014 -11.283 1.00 0.00 O ATOM 637 CB ARG A 50 -0.378 10.417 -11.025 1.00 0.00 C ATOM 638 CG ARG A 50 0.790 11.394 -11.032 1.00 0.00 C ATOM 639 CD ARG A 50 1.228 11.746 -12.449 1.00 0.00 C ATOM 640 NE ARG A 50 1.530 10.560 -13.256 1.00 0.00 N ATOM 641 CZ ARG A 50 2.194 10.596 -14.416 1.00 0.00 C ATOM 642 NH1 ARG A 50 2.649 11.749 -14.899 1.00 0.00 N ATOM 643 NH2 ARG A 50 2.405 9.473 -15.096 1.00 0.00 N ATOM 0 H ARG A 50 -0.246 10.811 -8.582 1.00 0.00 H new ATOM 0 HA ARG A 50 -1.911 11.861 -10.570 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -0.035 9.460 -10.631 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -0.698 10.242 -12.052 1.00 0.00 H new ATOM 0 HG2 ARG A 50 0.505 12.304 -10.503 1.00 0.00 H new ATOM 0 HG3 ARG A 50 1.630 10.960 -10.490 1.00 0.00 H new ATOM 0 HD2 ARG A 50 0.441 12.322 -12.936 1.00 0.00 H new ATOM 0 HD3 ARG A 50 2.110 12.385 -12.405 1.00 0.00 H new ATOM 0 HE ARG A 50 1.215 9.653 -12.912 1.00 0.00 H new ATOM 0 HH11 ARG A 50 2.492 12.615 -14.384 1.00 0.00 H new ATOM 0 HH12 ARG A 50 3.155 11.767 -15.785 1.00 0.00 H new ATOM 0 HH21 ARG A 50 2.060 8.584 -14.733 1.00 0.00 H new ATOM 0 HH22 ARG A 50 2.911 9.500 -15.981 1.00 0.00 H new ATOM 657 N CYS A 51 -2.789 8.889 -9.476 1.00 0.00 N ATOM 658 CA CYS A 51 -3.839 7.873 -9.536 1.00 0.00 C ATOM 659 C CYS A 51 -5.172 8.409 -9.008 1.00 0.00 C ATOM 660 O CYS A 51 -6.236 7.943 -9.418 1.00 0.00 O ATOM 661 CB CYS A 51 -3.428 6.636 -8.732 1.00 0.00 C ATOM 662 SG CYS A 51 -2.525 5.400 -9.692 1.00 0.00 S ATOM 0 H CYS A 51 -2.126 8.766 -8.711 1.00 0.00 H new ATOM 0 HA CYS A 51 -3.972 7.600 -10.583 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -2.809 6.951 -7.892 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -4.322 6.174 -8.314 1.00 0.00 H new ATOM 0 HG CYS A 51 -3.193 4.285 -9.701 1.00 0.00 H new ATOM 668 N GLY A 52 -5.113 9.383 -8.094 1.00 0.00 N ATOM 669 CA GLY A 52 -6.328 9.954 -7.527 1.00 0.00 C ATOM 670 C GLY A 52 -7.101 8.971 -6.653 1.00 0.00 C ATOM 671 O GLY A 52 -8.280 9.190 -6.364 1.00 0.00 O ATOM 0 H GLY A 52 -4.246 9.785 -7.738 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -6.068 10.831 -6.934 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -6.973 10.296 -8.336 1.00 0.00 H new ATOM 675 N GLY A 53 -6.441 7.886 -6.236 1.00 0.00 N ATOM 676 CA GLY A 53 -7.087 6.884 -5.401 1.00 0.00 C ATOM 677 C GLY A 53 -6.491 6.806 -4.006 1.00 0.00 C ATOM 678 O GLY A 53 -7.207 6.560 -3.033 1.00 0.00 O ATOM 0 H GLY A 53 -5.467 7.685 -6.464 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -8.150 7.112 -5.325 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -7.004 5.909 -5.881 1.00 0.00 H new ATOM 682 N LEU A 54 -5.177 7.011 -3.904 1.00 0.00 N ATOM 683 CA LEU A 54 -4.495 6.957 -2.615 1.00 0.00 C ATOM 684 C LEU A 54 -4.897 8.141 -1.735 1.00 0.00 C ATOM 685 O LEU A 54 -4.467 9.274 -1.965 1.00 0.00 O ATOM 686 CB LEU A 54 -2.978 6.932 -2.815 1.00 0.00 C ATOM 687 CG LEU A 54 -2.206 6.107 -1.785 1.00 0.00 C ATOM 688 CD1 LEU A 54 -0.886 5.625 -2.369 1.00 0.00 C ATOM 689 CD2 LEU A 54 -1.974 6.922 -0.521 1.00 0.00 C ATOM 0 H LEU A 54 -4.568 7.215 -4.696 1.00 0.00 H new ATOM 0 HA LEU A 54 -4.796 6.040 -2.109 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -2.764 6.538 -3.809 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -2.606 7.956 -2.791 1.00 0.00 H new ATOM 0 HG LEU A 54 -2.800 5.232 -1.523 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -0.350 5.040 -1.622 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -1.080 5.006 -3.245 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -0.281 6.484 -2.659 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -1.423 6.322 0.203 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -1.398 7.815 -0.764 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -2.934 7.214 -0.095 1.00 0.00 H new ATOM 701 N HIS A 55 -5.730 7.866 -0.731 1.00 0.00 N ATOM 702 CA HIS A 55 -6.205 8.898 0.191 1.00 0.00 C ATOM 703 C HIS A 55 -5.638 8.689 1.594 1.00 0.00 C ATOM 704 O HIS A 55 -5.250 7.577 1.959 1.00 0.00 O ATOM 705 CB HIS A 55 -7.739 8.904 0.244 1.00 0.00 C ATOM 706 CG HIS A 55 -8.339 7.599 0.682 1.00 0.00 C ATOM 707 ND1 HIS A 55 -8.210 7.099 1.961 1.00 0.00 N ATOM 708 CD2 HIS A 55 -9.072 6.689 -0.002 1.00 0.00 C ATOM 709 CE1 HIS A 55 -8.836 5.941 2.044 1.00 0.00 C ATOM 710 NE2 HIS A 55 -9.367 5.666 0.867 1.00 0.00 N ATOM 0 H HIS A 55 -6.091 6.932 -0.535 1.00 0.00 H new ATOM 0 HA HIS A 55 -5.856 9.862 -0.180 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -8.066 9.690 0.925 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -8.126 9.157 -0.743 1.00 0.00 H new ATOM 0 HD1 HIS A 55 -7.709 7.554 2.724 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -9.370 6.755 -1.038 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -8.903 5.322 2.926 1.00 0.00 H new ATOM 719 N VAL A 56 -5.600 9.767 2.381 1.00 0.00 N ATOM 720 CA VAL A 56 -5.088 9.703 3.750 1.00 0.00 C ATOM 721 C VAL A 56 -5.950 8.773 4.604 1.00 0.00 C ATOM 722 O VAL A 56 -7.179 8.792 4.510 1.00 0.00 O ATOM 723 CB VAL A 56 -5.043 11.098 4.415 1.00 0.00 C ATOM 724 CG1 VAL A 56 -4.339 11.028 5.765 1.00 0.00 C ATOM 725 CG2 VAL A 56 -4.359 12.113 3.509 1.00 0.00 C ATOM 0 H VAL A 56 -5.917 10.693 2.093 1.00 0.00 H new ATOM 0 HA VAL A 56 -4.071 9.315 3.689 1.00 0.00 H new ATOM 0 HB VAL A 56 -6.070 11.426 4.577 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -4.318 12.020 6.216 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -4.876 10.342 6.420 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -3.319 10.671 5.625 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -4.341 13.086 4.001 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -3.338 11.790 3.306 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -4.908 12.191 2.571 1.00 0.00 H new ATOM 735 N GLY A 57 -5.295 7.957 5.432 1.00 0.00 N ATOM 736 CA GLY A 57 -6.011 7.026 6.289 1.00 0.00 C ATOM 737 C GLY A 57 -6.579 5.844 5.522 1.00 0.00 C ATOM 738 O GLY A 57 -7.774 5.554 5.613 1.00 0.00 O ATOM 0 H GLY A 57 -4.280 7.926 5.523 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -5.338 6.661 7.065 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -6.823 7.552 6.792 1.00 0.00 H new ATOM 742 N ASP A 58 -5.715 5.161 4.767 1.00 0.00 N ATOM 743 CA ASP A 58 -6.127 3.999 3.978 1.00 0.00 C ATOM 744 C ASP A 58 -5.504 2.724 4.544 1.00 0.00 C ATOM 745 O ASP A 58 -4.280 2.613 4.620 1.00 0.00 O ATOM 746 CB ASP A 58 -5.710 4.174 2.512 1.00 0.00 C ATOM 747 CG ASP A 58 -6.811 3.809 1.528 1.00 0.00 C ATOM 748 OD1 ASP A 58 -7.731 3.048 1.904 1.00 0.00 O ATOM 749 OD2 ASP A 58 -6.751 4.286 0.374 1.00 0.00 O ATOM 0 H ASP A 58 -4.725 5.393 4.686 1.00 0.00 H new ATOM 0 HA ASP A 58 -7.213 3.916 4.030 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -5.413 5.210 2.347 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -4.835 3.555 2.314 1.00 0.00 H new ATOM 754 N ALA A 59 -6.344 1.766 4.943 1.00 0.00 N ATOM 755 CA ALA A 59 -5.854 0.507 5.509 1.00 0.00 C ATOM 756 C ALA A 59 -5.660 -0.563 4.434 1.00 0.00 C ATOM 757 O ALA A 59 -6.573 -0.856 3.663 1.00 0.00 O ATOM 758 CB ALA A 59 -6.803 0.010 6.591 1.00 0.00 C ATOM 0 H ALA A 59 -7.360 1.837 4.885 1.00 0.00 H new ATOM 0 HA ALA A 59 -4.878 0.703 5.954 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -6.427 -0.926 7.003 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -6.872 0.754 7.385 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -7.791 -0.154 6.161 1.00 0.00 H new ATOM 764 N ILE A 60 -4.457 -1.142 4.394 1.00 0.00 N ATOM 765 CA ILE A 60 -4.119 -2.182 3.417 1.00 0.00 C ATOM 766 C ILE A 60 -4.531 -3.575 3.900 1.00 0.00 C ATOM 767 O ILE A 60 -4.534 -3.852 5.101 1.00 0.00 O ATOM 768 CB ILE A 60 -2.602 -2.203 3.115 1.00 0.00 C ATOM 769 CG1 ILE A 60 -2.080 -0.791 2.835 1.00 0.00 C ATOM 770 CG2 ILE A 60 -2.303 -3.124 1.939 1.00 0.00 C ATOM 771 CD1 ILE A 60 -0.766 -0.489 3.522 1.00 0.00 C ATOM 0 H ILE A 60 -3.696 -0.907 5.031 1.00 0.00 H new ATOM 0 HA ILE A 60 -4.673 -1.935 2.511 1.00 0.00 H new ATOM 0 HB ILE A 60 -2.088 -2.587 3.996 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -1.957 -0.664 1.759 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -2.826 -0.065 3.159 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -1.231 -3.126 1.742 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -2.630 -4.136 2.177 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -2.834 -2.770 1.055 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -0.454 0.527 3.281 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -0.889 -0.584 4.601 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -0.007 -1.192 3.180 1.00 0.00 H new ATOM 783 N LEU A 61 -4.856 -4.450 2.945 1.00 0.00 N ATOM 784 CA LEU A 61 -5.247 -5.826 3.252 1.00 0.00 C ATOM 785 C LEU A 61 -4.555 -6.814 2.307 1.00 0.00 C ATOM 786 O LEU A 61 -3.961 -7.796 2.757 1.00 0.00 O ATOM 787 CB LEU A 61 -6.768 -5.991 3.167 1.00 0.00 C ATOM 788 CG LEU A 61 -7.519 -5.812 4.493 1.00 0.00 C ATOM 789 CD1 LEU A 61 -9.024 -5.828 4.263 1.00 0.00 C ATOM 790 CD2 LEU A 61 -7.121 -6.897 5.487 1.00 0.00 C ATOM 0 H LEU A 61 -4.856 -4.228 1.950 1.00 0.00 H new ATOM 0 HA LEU A 61 -4.930 -6.043 4.272 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -7.156 -5.270 2.448 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -6.988 -6.983 2.774 1.00 0.00 H new ATOM 0 HG LEU A 61 -7.244 -4.844 4.912 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -9.539 -5.700 5.215 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -9.298 -5.016 3.590 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -9.314 -6.780 3.819 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -7.665 -6.752 6.421 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -7.364 -7.876 5.074 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -6.049 -6.840 5.678 1.00 0.00 H new ATOM 802 N ALA A 62 -4.632 -6.549 0.997 1.00 0.00 N ATOM 803 CA ALA A 62 -4.008 -7.418 -0.002 1.00 0.00 C ATOM 804 C ALA A 62 -3.290 -6.604 -1.081 1.00 0.00 C ATOM 805 O ALA A 62 -3.737 -5.516 -1.452 1.00 0.00 O ATOM 806 CB ALA A 62 -5.048 -8.334 -0.633 1.00 0.00 C ATOM 0 H ALA A 62 -5.119 -5.742 0.607 1.00 0.00 H new ATOM 0 HA ALA A 62 -3.262 -8.029 0.507 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -4.568 -8.974 -1.374 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -5.505 -8.953 0.140 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -5.817 -7.732 -1.117 1.00 0.00 H new ATOM 812 N VAL A 63 -2.176 -7.143 -1.581 1.00 0.00 N ATOM 813 CA VAL A 63 -1.391 -6.478 -2.621 1.00 0.00 C ATOM 814 C VAL A 63 -0.991 -7.471 -3.708 1.00 0.00 C ATOM 815 O VAL A 63 -0.250 -8.421 -3.447 1.00 0.00 O ATOM 816 CB VAL A 63 -0.118 -5.821 -2.044 1.00 0.00 C ATOM 817 CG1 VAL A 63 0.570 -4.962 -3.098 1.00 0.00 C ATOM 818 CG2 VAL A 63 -0.454 -4.998 -0.807 1.00 0.00 C ATOM 0 H VAL A 63 -1.797 -8.041 -1.281 1.00 0.00 H new ATOM 0 HA VAL A 63 -2.022 -5.698 -3.048 1.00 0.00 H new ATOM 0 HB VAL A 63 0.573 -6.611 -1.749 1.00 0.00 H new ATOM 0 HG11 VAL A 63 1.464 -4.509 -2.671 1.00 0.00 H new ATOM 0 HG12 VAL A 63 0.849 -5.584 -3.948 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -0.111 -4.178 -3.430 1.00 0.00 H new ATOM 0 HG21 VAL A 63 0.455 -4.543 -0.415 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -1.166 -4.216 -1.072 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -0.893 -5.645 -0.047 1.00 0.00 H new ATOM 828 N ASN A 64 -1.492 -7.246 -4.925 1.00 0.00 N ATOM 829 CA ASN A 64 -1.205 -8.122 -6.062 1.00 0.00 C ATOM 830 C ASN A 64 -1.606 -9.568 -5.750 1.00 0.00 C ATOM 831 O ASN A 64 -0.927 -10.515 -6.154 1.00 0.00 O ATOM 832 CB ASN A 64 0.281 -8.049 -6.439 1.00 0.00 C ATOM 833 CG ASN A 64 0.502 -8.212 -7.933 1.00 0.00 C ATOM 834 OD1 ASN A 64 0.169 -9.247 -8.511 1.00 0.00 O ATOM 835 ND2 ASN A 64 1.065 -7.190 -8.570 1.00 0.00 N ATOM 0 H ASN A 64 -2.102 -6.460 -5.148 1.00 0.00 H new ATOM 0 HA ASN A 64 -1.795 -7.778 -6.911 1.00 0.00 H new ATOM 0 HB2 ASN A 64 0.690 -7.092 -6.115 1.00 0.00 H new ATOM 0 HB3 ASN A 64 0.828 -8.826 -5.905 1.00 0.00 H new ATOM 0 HD21 ASN A 64 1.235 -7.246 -9.574 1.00 0.00 H new ATOM 0 HD22 ASN A 64 1.326 -6.349 -8.055 1.00 0.00 H new ATOM 842 N GLY A 65 -2.714 -9.729 -5.021 1.00 0.00 N ATOM 843 CA GLY A 65 -3.185 -11.057 -4.660 1.00 0.00 C ATOM 844 C GLY A 65 -2.530 -11.611 -3.396 1.00 0.00 C ATOM 845 O GLY A 65 -3.013 -12.593 -2.827 1.00 0.00 O ATOM 0 H GLY A 65 -3.292 -8.962 -4.676 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -4.265 -11.025 -4.516 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -2.994 -11.740 -5.488 1.00 0.00 H new ATOM 849 N VAL A 66 -1.433 -10.988 -2.953 1.00 0.00 N ATOM 850 CA VAL A 66 -0.725 -11.431 -1.754 1.00 0.00 C ATOM 851 C VAL A 66 -1.368 -10.851 -0.495 1.00 0.00 C ATOM 852 O VAL A 66 -1.720 -9.671 -0.453 1.00 0.00 O ATOM 853 CB VAL A 66 0.768 -11.032 -1.801 1.00 0.00 C ATOM 854 CG1 VAL A 66 1.541 -11.685 -0.663 1.00 0.00 C ATOM 855 CG2 VAL A 66 1.381 -11.403 -3.146 1.00 0.00 C ATOM 0 H VAL A 66 -1.018 -10.175 -3.409 1.00 0.00 H new ATOM 0 HA VAL A 66 -0.795 -12.518 -1.723 1.00 0.00 H new ATOM 0 HB VAL A 66 0.833 -9.951 -1.679 1.00 0.00 H new ATOM 0 HG11 VAL A 66 2.589 -11.389 -0.718 1.00 0.00 H new ATOM 0 HG12 VAL A 66 1.123 -11.365 0.291 1.00 0.00 H new ATOM 0 HG13 VAL A 66 1.466 -12.769 -0.747 1.00 0.00 H new ATOM 0 HG21 VAL A 66 2.432 -11.114 -3.159 1.00 0.00 H new ATOM 0 HG22 VAL A 66 1.299 -12.479 -3.299 1.00 0.00 H new ATOM 0 HG23 VAL A 66 0.851 -10.882 -3.943 1.00 0.00 H new ATOM 865 N ASN A 67 -1.520 -11.694 0.528 1.00 0.00 N ATOM 866 CA ASN A 67 -2.125 -11.277 1.791 1.00 0.00 C ATOM 867 C ASN A 67 -1.144 -10.463 2.634 1.00 0.00 C ATOM 868 O ASN A 67 0.032 -10.811 2.739 1.00 0.00 O ATOM 869 CB ASN A 67 -2.606 -12.500 2.585 1.00 0.00 C ATOM 870 CG ASN A 67 -1.468 -13.417 3.008 1.00 0.00 C ATOM 871 OD1 ASN A 67 -0.857 -14.089 2.177 1.00 0.00 O ATOM 872 ND2 ASN A 67 -1.179 -13.450 4.306 1.00 0.00 N ATOM 0 H ASN A 67 -1.231 -12.672 0.505 1.00 0.00 H new ATOM 0 HA ASN A 67 -2.981 -10.644 1.556 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -3.143 -12.163 3.472 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -3.315 -13.065 1.979 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -0.426 -14.048 4.646 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -1.710 -12.877 4.962 1.00 0.00 H new ATOM 879 N LEU A 68 -1.641 -9.383 3.238 1.00 0.00 N ATOM 880 CA LEU A 68 -0.814 -8.520 4.082 1.00 0.00 C ATOM 881 C LEU A 68 -1.275 -8.550 5.547 1.00 0.00 C ATOM 882 O LEU A 68 -0.674 -7.898 6.403 1.00 0.00 O ATOM 883 CB LEU A 68 -0.844 -7.079 3.559 1.00 0.00 C ATOM 884 CG LEU A 68 0.392 -6.235 3.897 1.00 0.00 C ATOM 885 CD1 LEU A 68 1.259 -6.034 2.662 1.00 0.00 C ATOM 886 CD2 LEU A 68 -0.019 -4.892 4.487 1.00 0.00 C ATOM 0 H LEU A 68 -2.613 -9.085 3.158 1.00 0.00 H new ATOM 0 HA LEU A 68 0.206 -8.901 4.041 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -0.961 -7.105 2.476 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -1.726 -6.581 3.963 1.00 0.00 H new ATOM 0 HG LEU A 68 0.978 -6.772 4.643 1.00 0.00 H new ATOM 0 HD11 LEU A 68 2.130 -5.433 2.923 1.00 0.00 H new ATOM 0 HD12 LEU A 68 1.586 -7.003 2.286 1.00 0.00 H new ATOM 0 HD13 LEU A 68 0.682 -5.522 1.892 1.00 0.00 H new ATOM 0 HD21 LEU A 68 0.872 -4.309 4.720 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -0.630 -4.349 3.766 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -0.594 -5.056 5.399 1.00 0.00 H new ATOM 898 N ARG A 69 -2.344 -9.303 5.833 1.00 0.00 N ATOM 899 CA ARG A 69 -2.875 -9.403 7.193 1.00 0.00 C ATOM 900 C ARG A 69 -1.951 -10.213 8.108 1.00 0.00 C ATOM 901 O ARG A 69 -1.854 -9.927 9.300 1.00 0.00 O ATOM 902 CB ARG A 69 -4.271 -10.033 7.179 1.00 0.00 C ATOM 903 CG ARG A 69 -5.235 -9.396 8.173 1.00 0.00 C ATOM 904 CD ARG A 69 -6.661 -9.886 7.965 1.00 0.00 C ATOM 905 NE ARG A 69 -6.755 -11.347 8.005 1.00 0.00 N ATOM 906 CZ ARG A 69 -7.753 -12.050 7.460 1.00 0.00 C ATOM 907 NH1 ARG A 69 -8.766 -11.432 6.857 1.00 0.00 N ATOM 908 NH2 ARG A 69 -7.740 -13.377 7.523 1.00 0.00 N ATOM 0 H ARG A 69 -2.856 -9.850 5.141 1.00 0.00 H new ATOM 0 HA ARG A 69 -2.938 -8.390 7.590 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -4.689 -9.950 6.176 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -4.183 -11.097 7.401 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -4.915 -9.627 9.189 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -5.203 -8.312 8.067 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -7.305 -9.461 8.735 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -7.031 -9.526 7.005 1.00 0.00 H new ATOM 0 HE ARG A 69 -6.012 -11.861 8.479 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -8.785 -10.413 6.808 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -9.523 -11.977 6.444 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -6.969 -13.858 7.987 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -8.501 -13.915 7.108 1.00 0.00 H new ATOM 922 N ASP A 70 -1.288 -11.228 7.550 1.00 0.00 N ATOM 923 CA ASP A 70 -0.381 -12.077 8.328 1.00 0.00 C ATOM 924 C ASP A 70 1.093 -11.754 8.049 1.00 0.00 C ATOM 925 O ASP A 70 1.983 -12.513 8.440 1.00 0.00 O ATOM 926 CB ASP A 70 -0.655 -13.557 8.037 1.00 0.00 C ATOM 927 CG ASP A 70 -0.673 -14.404 9.297 1.00 0.00 C ATOM 928 OD1 ASP A 70 0.319 -14.366 10.056 1.00 0.00 O ATOM 929 OD2 ASP A 70 -1.680 -15.105 9.526 1.00 0.00 O ATOM 0 H ASP A 70 -1.361 -11.482 6.565 1.00 0.00 H new ATOM 0 HA ASP A 70 -0.571 -11.872 9.381 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -1.613 -13.652 7.526 1.00 0.00 H new ATOM 0 HB3 ASP A 70 0.108 -13.938 7.358 1.00 0.00 H new ATOM 934 N THR A 71 1.354 -10.632 7.373 1.00 0.00 N ATOM 935 CA THR A 71 2.723 -10.234 7.053 1.00 0.00 C ATOM 936 C THR A 71 3.191 -9.105 7.968 1.00 0.00 C ATOM 937 O THR A 71 2.437 -8.172 8.251 1.00 0.00 O ATOM 938 CB THR A 71 2.824 -9.792 5.587 1.00 0.00 C ATOM 939 OG1 THR A 71 2.008 -8.659 5.345 1.00 0.00 O ATOM 940 CG2 THR A 71 2.414 -10.870 4.605 1.00 0.00 C ATOM 0 H THR A 71 0.638 -9.987 7.039 1.00 0.00 H new ATOM 0 HA THR A 71 3.369 -11.098 7.210 1.00 0.00 H new ATOM 0 HB THR A 71 3.878 -9.561 5.430 1.00 0.00 H new ATOM 0 HG1 THR A 71 2.550 -7.845 5.413 1.00 0.00 H new ATOM 0 HG21 THR A 71 2.509 -10.491 3.588 1.00 0.00 H new ATOM 0 HG22 THR A 71 3.059 -11.740 4.730 1.00 0.00 H new ATOM 0 HG23 THR A 71 1.379 -11.156 4.790 1.00 0.00 H new ATOM 948 N LYS A 72 4.442 -9.192 8.422 1.00 0.00 N ATOM 949 CA LYS A 72 5.015 -8.171 9.299 1.00 0.00 C ATOM 950 C LYS A 72 5.321 -6.892 8.517 1.00 0.00 C ATOM 951 O LYS A 72 5.418 -6.917 7.289 1.00 0.00 O ATOM 952 CB LYS A 72 6.292 -8.696 9.968 1.00 0.00 C ATOM 953 CG LYS A 72 6.059 -9.305 11.343 1.00 0.00 C ATOM 954 CD LYS A 72 5.941 -10.822 11.272 1.00 0.00 C ATOM 955 CE LYS A 72 7.299 -11.486 11.085 1.00 0.00 C ATOM 956 NZ LYS A 72 8.256 -11.130 12.172 1.00 0.00 N ATOM 0 H LYS A 72 5.077 -9.958 8.197 1.00 0.00 H new ATOM 0 HA LYS A 72 4.282 -7.937 10.071 1.00 0.00 H new ATOM 0 HB2 LYS A 72 6.748 -9.446 9.321 1.00 0.00 H new ATOM 0 HB3 LYS A 72 7.006 -7.877 10.060 1.00 0.00 H new ATOM 0 HG2 LYS A 72 6.881 -9.034 12.006 1.00 0.00 H new ATOM 0 HG3 LYS A 72 5.150 -8.889 11.777 1.00 0.00 H new ATOM 0 HD2 LYS A 72 5.477 -11.194 12.186 1.00 0.00 H new ATOM 0 HD3 LYS A 72 5.285 -11.097 10.446 1.00 0.00 H new ATOM 0 HE2 LYS A 72 7.171 -12.568 11.056 1.00 0.00 H new ATOM 0 HE3 LYS A 72 7.717 -11.189 10.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 8.982 -11.870 12.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 8.711 -10.221 11.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 7.743 -11.050 13.073 1.00 0.00 H new ATOM 970 N HIS A 73 5.474 -5.776 9.236 1.00 0.00 N ATOM 971 CA HIS A 73 5.771 -4.484 8.607 1.00 0.00 C ATOM 972 C HIS A 73 7.006 -4.584 7.707 1.00 0.00 C ATOM 973 O HIS A 73 6.974 -4.159 6.551 1.00 0.00 O ATOM 974 CB HIS A 73 5.984 -3.406 9.677 1.00 0.00 C ATOM 975 CG HIS A 73 6.102 -2.015 9.128 1.00 0.00 C ATOM 976 ND1 HIS A 73 7.069 -1.124 9.544 1.00 0.00 N ATOM 977 CD2 HIS A 73 5.367 -1.360 8.196 1.00 0.00 C ATOM 978 CE1 HIS A 73 6.923 0.017 8.894 1.00 0.00 C ATOM 979 NE2 HIS A 73 5.898 -0.100 8.070 1.00 0.00 N ATOM 0 H HIS A 73 5.397 -5.740 10.252 1.00 0.00 H new ATOM 0 HA HIS A 73 4.918 -4.205 7.989 1.00 0.00 H new ATOM 0 HB2 HIS A 73 5.152 -3.438 10.381 1.00 0.00 H new ATOM 0 HB3 HIS A 73 6.887 -3.641 10.240 1.00 0.00 H new ATOM 0 HD2 HIS A 73 4.521 -1.756 7.654 1.00 0.00 H new ATOM 0 HE1 HIS A 73 7.538 0.896 9.016 1.00 0.00 H new ATOM 0 HE2 HIS A 73 5.556 0.627 7.442 1.00 0.00 H new ATOM 988 N LYS A 74 8.086 -5.158 8.243 1.00 0.00 N ATOM 989 CA LYS A 74 9.328 -5.327 7.485 1.00 0.00 C ATOM 990 C LYS A 74 9.106 -6.245 6.282 1.00 0.00 C ATOM 991 O LYS A 74 9.600 -5.976 5.185 1.00 0.00 O ATOM 992 CB LYS A 74 10.429 -5.898 8.388 1.00 0.00 C ATOM 993 CG LYS A 74 11.783 -6.037 7.705 1.00 0.00 C ATOM 994 CD LYS A 74 12.019 -7.460 7.218 1.00 0.00 C ATOM 995 CE LYS A 74 13.492 -7.840 7.281 1.00 0.00 C ATOM 996 NZ LYS A 74 13.961 -8.044 8.682 1.00 0.00 N ATOM 0 H LYS A 74 8.125 -5.513 9.198 1.00 0.00 H new ATOM 0 HA LYS A 74 9.642 -4.349 7.120 1.00 0.00 H new ATOM 0 HB2 LYS A 74 10.539 -5.254 9.261 1.00 0.00 H new ATOM 0 HB3 LYS A 74 10.115 -6.877 8.751 1.00 0.00 H new ATOM 0 HG2 LYS A 74 11.839 -5.349 6.862 1.00 0.00 H new ATOM 0 HG3 LYS A 74 12.573 -5.754 8.400 1.00 0.00 H new ATOM 0 HD2 LYS A 74 11.438 -8.154 7.826 1.00 0.00 H new ATOM 0 HD3 LYS A 74 11.662 -7.558 6.193 1.00 0.00 H new ATOM 0 HE2 LYS A 74 13.655 -8.753 6.708 1.00 0.00 H new ATOM 0 HE3 LYS A 74 14.088 -7.058 6.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 14.883 -8.524 8.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 14.055 -7.122 9.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 13.272 -8.628 9.197 1.00 0.00 H new ATOM 1010 N GLU A 75 8.353 -7.324 6.498 1.00 0.00 N ATOM 1011 CA GLU A 75 8.051 -8.283 5.437 1.00 0.00 C ATOM 1012 C GLU A 75 7.251 -7.625 4.311 1.00 0.00 C ATOM 1013 O GLU A 75 7.482 -7.903 3.133 1.00 0.00 O ATOM 1014 CB GLU A 75 7.266 -9.469 6.001 1.00 0.00 C ATOM 1015 CG GLU A 75 7.286 -10.695 5.102 1.00 0.00 C ATOM 1016 CD GLU A 75 8.059 -11.849 5.706 1.00 0.00 C ATOM 1017 OE1 GLU A 75 9.307 -11.811 5.672 1.00 0.00 O ATOM 1018 OE2 GLU A 75 7.417 -12.791 6.216 1.00 0.00 O ATOM 0 H GLU A 75 7.940 -7.555 7.402 1.00 0.00 H new ATOM 0 HA GLU A 75 8.997 -8.638 5.028 1.00 0.00 H new ATOM 0 HB2 GLU A 75 7.677 -9.736 6.975 1.00 0.00 H new ATOM 0 HB3 GLU A 75 6.232 -9.165 6.164 1.00 0.00 H new ATOM 0 HG2 GLU A 75 6.262 -11.013 4.904 1.00 0.00 H new ATOM 0 HG3 GLU A 75 7.728 -10.429 4.142 1.00 0.00 H new ATOM 1025 N ALA A 76 6.309 -6.754 4.682 1.00 0.00 N ATOM 1026 CA ALA A 76 5.470 -6.060 3.705 1.00 0.00 C ATOM 1027 C ALA A 76 6.299 -5.148 2.804 1.00 0.00 C ATOM 1028 O ALA A 76 5.991 -4.993 1.621 1.00 0.00 O ATOM 1029 CB ALA A 76 4.384 -5.259 4.409 1.00 0.00 C ATOM 0 H ALA A 76 6.109 -6.513 5.653 1.00 0.00 H new ATOM 0 HA ALA A 76 5.001 -6.816 3.076 1.00 0.00 H new ATOM 0 HB1 ALA A 76 3.769 -4.749 3.667 1.00 0.00 H new ATOM 0 HB2 ALA A 76 3.760 -5.931 4.998 1.00 0.00 H new ATOM 0 HB3 ALA A 76 4.844 -4.522 5.067 1.00 0.00 H new ATOM 1035 N VAL A 77 7.356 -4.555 3.362 1.00 0.00 N ATOM 1036 CA VAL A 77 8.231 -3.673 2.592 1.00 0.00 C ATOM 1037 C VAL A 77 8.892 -4.445 1.453 1.00 0.00 C ATOM 1038 O VAL A 77 8.972 -3.958 0.324 1.00 0.00 O ATOM 1039 CB VAL A 77 9.323 -3.030 3.479 1.00 0.00 C ATOM 1040 CG1 VAL A 77 10.143 -2.022 2.682 1.00 0.00 C ATOM 1041 CG2 VAL A 77 8.703 -2.368 4.704 1.00 0.00 C ATOM 0 H VAL A 77 7.625 -4.669 4.339 1.00 0.00 H new ATOM 0 HA VAL A 77 7.610 -2.875 2.185 1.00 0.00 H new ATOM 0 HB VAL A 77 9.992 -3.821 3.819 1.00 0.00 H new ATOM 0 HG11 VAL A 77 10.905 -1.582 3.326 1.00 0.00 H new ATOM 0 HG12 VAL A 77 10.623 -2.526 1.843 1.00 0.00 H new ATOM 0 HG13 VAL A 77 9.488 -1.236 2.306 1.00 0.00 H new ATOM 0 HG21 VAL A 77 9.489 -1.922 5.314 1.00 0.00 H new ATOM 0 HG22 VAL A 77 8.007 -1.592 4.385 1.00 0.00 H new ATOM 0 HG23 VAL A 77 8.169 -3.116 5.290 1.00 0.00 H new ATOM 1051 N THR A 78 9.351 -5.659 1.758 1.00 0.00 N ATOM 1052 CA THR A 78 9.994 -6.512 0.764 1.00 0.00 C ATOM 1053 C THR A 78 9.010 -6.888 -0.345 1.00 0.00 C ATOM 1054 O THR A 78 9.350 -6.836 -1.528 1.00 0.00 O ATOM 1055 CB THR A 78 10.548 -7.780 1.423 1.00 0.00 C ATOM 1056 OG1 THR A 78 10.993 -7.513 2.742 1.00 0.00 O ATOM 1057 CG2 THR A 78 11.709 -8.388 0.665 1.00 0.00 C ATOM 0 H THR A 78 9.288 -6.073 2.688 1.00 0.00 H new ATOM 0 HA THR A 78 10.820 -5.954 0.323 1.00 0.00 H new ATOM 0 HB THR A 78 9.719 -8.488 1.423 1.00 0.00 H new ATOM 0 HG1 THR A 78 11.341 -8.337 3.143 1.00 0.00 H new ATOM 0 HG21 THR A 78 12.054 -9.282 1.184 1.00 0.00 H new ATOM 0 HG22 THR A 78 11.387 -8.655 -0.342 1.00 0.00 H new ATOM 0 HG23 THR A 78 12.523 -7.666 0.606 1.00 0.00 H new ATOM 1065 N ILE A 79 7.787 -7.257 0.047 1.00 0.00 N ATOM 1066 CA ILE A 79 6.752 -7.634 -0.918 1.00 0.00 C ATOM 1067 C ILE A 79 6.398 -6.458 -1.827 1.00 0.00 C ATOM 1068 O ILE A 79 6.220 -6.631 -3.033 1.00 0.00 O ATOM 1069 CB ILE A 79 5.465 -8.143 -0.223 1.00 0.00 C ATOM 1070 CG1 ILE A 79 5.788 -9.265 0.772 1.00 0.00 C ATOM 1071 CG2 ILE A 79 4.458 -8.628 -1.260 1.00 0.00 C ATOM 1072 CD1 ILE A 79 4.824 -9.339 1.939 1.00 0.00 C ATOM 0 H ILE A 79 7.491 -7.302 1.022 1.00 0.00 H new ATOM 0 HA ILE A 79 7.166 -8.447 -1.515 1.00 0.00 H new ATOM 0 HB ILE A 79 5.026 -7.313 0.330 1.00 0.00 H new ATOM 0 HG12 ILE A 79 5.781 -10.219 0.245 1.00 0.00 H new ATOM 0 HG13 ILE A 79 6.798 -9.120 1.155 1.00 0.00 H new ATOM 0 HG21 ILE A 79 3.559 -8.983 -0.756 1.00 0.00 H new ATOM 0 HG22 ILE A 79 4.199 -7.806 -1.928 1.00 0.00 H new ATOM 0 HG23 ILE A 79 4.895 -9.442 -1.838 1.00 0.00 H new ATOM 0 HD11 ILE A 79 5.115 -10.155 2.600 1.00 0.00 H new ATOM 0 HD12 ILE A 79 4.848 -8.399 2.491 1.00 0.00 H new ATOM 0 HD13 ILE A 79 3.815 -9.516 1.567 1.00 0.00 H new ATOM 1084 N LEU A 80 6.304 -5.261 -1.244 1.00 0.00 N ATOM 1085 CA LEU A 80 5.980 -4.059 -2.011 1.00 0.00 C ATOM 1086 C LEU A 80 7.014 -3.821 -3.111 1.00 0.00 C ATOM 1087 O LEU A 80 6.662 -3.467 -4.236 1.00 0.00 O ATOM 1088 CB LEU A 80 5.911 -2.835 -1.092 1.00 0.00 C ATOM 1089 CG LEU A 80 4.498 -2.387 -0.709 1.00 0.00 C ATOM 1090 CD1 LEU A 80 4.417 -2.097 0.783 1.00 0.00 C ATOM 1091 CD2 LEU A 80 4.089 -1.164 -1.521 1.00 0.00 C ATOM 0 H LEU A 80 6.447 -5.100 -0.247 1.00 0.00 H new ATOM 0 HA LEU A 80 5.005 -4.211 -2.474 1.00 0.00 H new ATOM 0 HB2 LEU A 80 6.465 -3.054 -0.179 1.00 0.00 H new ATOM 0 HB3 LEU A 80 6.418 -2.004 -1.582 1.00 0.00 H new ATOM 0 HG LEU A 80 3.804 -3.196 -0.937 1.00 0.00 H new ATOM 0 HD11 LEU A 80 3.406 -1.780 1.038 1.00 0.00 H new ATOM 0 HD12 LEU A 80 4.666 -2.998 1.343 1.00 0.00 H new ATOM 0 HD13 LEU A 80 5.121 -1.305 1.038 1.00 0.00 H new ATOM 0 HD21 LEU A 80 3.082 -0.858 -1.237 1.00 0.00 H new ATOM 0 HD22 LEU A 80 4.785 -0.348 -1.325 1.00 0.00 H new ATOM 0 HD23 LEU A 80 4.107 -1.410 -2.583 1.00 0.00 H new ATOM 1103 N SER A 81 8.292 -4.023 -2.778 1.00 0.00 N ATOM 1104 CA SER A 81 9.376 -3.835 -3.741 1.00 0.00 C ATOM 1105 C SER A 81 9.348 -4.910 -4.833 1.00 0.00 C ATOM 1106 O SER A 81 9.804 -4.671 -5.952 1.00 0.00 O ATOM 1107 CB SER A 81 10.734 -3.843 -3.033 1.00 0.00 C ATOM 1108 OG SER A 81 11.044 -2.560 -2.511 1.00 0.00 O ATOM 0 H SER A 81 8.599 -4.316 -1.850 1.00 0.00 H new ATOM 0 HA SER A 81 9.228 -2.865 -4.215 1.00 0.00 H new ATOM 0 HB2 SER A 81 10.723 -4.575 -2.225 1.00 0.00 H new ATOM 0 HB3 SER A 81 11.511 -4.152 -3.732 1.00 0.00 H new ATOM 0 HG SER A 81 11.915 -2.591 -2.062 1.00 0.00 H new ATOM 1114 N GLN A 82 8.807 -6.090 -4.508 1.00 0.00 N ATOM 1115 CA GLN A 82 8.720 -7.188 -5.475 1.00 0.00 C ATOM 1116 C GLN A 82 7.788 -6.828 -6.638 1.00 0.00 C ATOM 1117 O GLN A 82 7.960 -7.325 -7.752 1.00 0.00 O ATOM 1118 CB GLN A 82 8.226 -8.470 -4.791 1.00 0.00 C ATOM 1119 CG GLN A 82 9.206 -9.042 -3.776 1.00 0.00 C ATOM 1120 CD GLN A 82 9.979 -10.236 -4.309 1.00 0.00 C ATOM 1121 OE1 GLN A 82 9.455 -11.034 -5.087 1.00 0.00 O ATOM 1122 NE2 GLN A 82 11.234 -10.366 -3.893 1.00 0.00 N ATOM 0 H GLN A 82 8.425 -6.307 -3.588 1.00 0.00 H new ATOM 0 HA GLN A 82 9.720 -7.359 -5.874 1.00 0.00 H new ATOM 0 HB2 GLN A 82 7.280 -8.263 -4.291 1.00 0.00 H new ATOM 0 HB3 GLN A 82 8.026 -9.223 -5.553 1.00 0.00 H new ATOM 0 HG2 GLN A 82 9.909 -8.264 -3.479 1.00 0.00 H new ATOM 0 HG3 GLN A 82 8.661 -9.339 -2.880 1.00 0.00 H new ATOM 0 HE21 GLN A 82 11.631 -9.683 -3.248 1.00 0.00 H new ATOM 0 HE22 GLN A 82 11.801 -11.149 -4.219 1.00 0.00 H new ATOM 1131 N GLN A 83 6.806 -5.961 -6.373 1.00 0.00 N ATOM 1132 CA GLN A 83 5.853 -5.535 -7.398 1.00 0.00 C ATOM 1133 C GLN A 83 6.548 -4.701 -8.479 1.00 0.00 C ATOM 1134 O GLN A 83 7.082 -3.625 -8.197 1.00 0.00 O ATOM 1135 CB GLN A 83 4.708 -4.727 -6.772 1.00 0.00 C ATOM 1136 CG GLN A 83 4.140 -5.329 -5.491 1.00 0.00 C ATOM 1137 CD GLN A 83 3.755 -6.791 -5.640 1.00 0.00 C ATOM 1138 OE1 GLN A 83 3.246 -7.208 -6.679 1.00 0.00 O ATOM 1139 NE2 GLN A 83 3.996 -7.578 -4.597 1.00 0.00 N ATOM 0 H GLN A 83 6.652 -5.541 -5.456 1.00 0.00 H new ATOM 0 HA GLN A 83 5.440 -6.431 -7.861 1.00 0.00 H new ATOM 0 HB2 GLN A 83 5.065 -3.719 -6.559 1.00 0.00 H new ATOM 0 HB3 GLN A 83 3.904 -4.633 -7.502 1.00 0.00 H new ATOM 0 HG2 GLN A 83 4.877 -5.233 -4.694 1.00 0.00 H new ATOM 0 HG3 GLN A 83 3.263 -4.758 -5.186 1.00 0.00 H new ATOM 0 HE21 GLN A 83 4.420 -7.191 -3.754 1.00 0.00 H new ATOM 0 HE22 GLN A 83 3.757 -8.569 -4.640 1.00 0.00 H new ATOM 1148 N ARG A 84 6.537 -5.209 -9.714 1.00 0.00 N ATOM 1149 CA ARG A 84 7.166 -4.517 -10.841 1.00 0.00 C ATOM 1150 C ARG A 84 6.123 -4.089 -11.875 1.00 0.00 C ATOM 1151 O ARG A 84 5.152 -4.808 -12.123 1.00 0.00 O ATOM 1152 CB ARG A 84 8.211 -5.427 -11.499 1.00 0.00 C ATOM 1153 CG ARG A 84 9.209 -4.686 -12.380 1.00 0.00 C ATOM 1154 CD ARG A 84 10.646 -4.941 -11.943 1.00 0.00 C ATOM 1155 NE ARG A 84 11.481 -5.423 -13.044 1.00 0.00 N ATOM 1156 CZ ARG A 84 11.433 -6.666 -13.535 1.00 0.00 C ATOM 1157 NH1 ARG A 84 10.576 -7.556 -13.037 1.00 0.00 N ATOM 1158 NH2 ARG A 84 12.243 -7.019 -14.529 1.00 0.00 N ATOM 0 H ARG A 84 6.099 -6.097 -9.959 1.00 0.00 H new ATOM 0 HA ARG A 84 7.656 -3.621 -10.459 1.00 0.00 H new ATOM 0 HB2 ARG A 84 8.755 -5.961 -10.720 1.00 0.00 H new ATOM 0 HB3 ARG A 84 7.698 -6.177 -12.100 1.00 0.00 H new ATOM 0 HG2 ARG A 84 9.083 -5.000 -13.416 1.00 0.00 H new ATOM 0 HG3 ARG A 84 9.002 -3.616 -12.344 1.00 0.00 H new ATOM 0 HD2 ARG A 84 11.071 -4.021 -11.543 1.00 0.00 H new ATOM 0 HD3 ARG A 84 10.654 -5.673 -11.136 1.00 0.00 H new ATOM 0 HE ARG A 84 12.142 -4.769 -13.464 1.00 0.00 H new ATOM 0 HH11 ARG A 84 9.951 -7.291 -12.276 1.00 0.00 H new ATOM 0 HH12 ARG A 84 10.545 -8.502 -13.417 1.00 0.00 H new ATOM 0 HH21 ARG A 84 12.900 -6.342 -14.916 1.00 0.00 H new ATOM 0 HH22 ARG A 84 12.207 -7.967 -14.904 1.00 0.00 H new ATOM 1172 N GLY A 85 6.341 -2.918 -12.482 1.00 0.00 N ATOM 1173 CA GLY A 85 5.423 -2.406 -13.491 1.00 0.00 C ATOM 1174 C GLY A 85 4.008 -2.232 -12.969 1.00 0.00 C ATOM 1175 O GLY A 85 3.736 -1.315 -12.191 1.00 0.00 O ATOM 0 H GLY A 85 7.141 -2.314 -12.291 1.00 0.00 H new ATOM 0 HA2 GLY A 85 5.791 -1.447 -13.856 1.00 0.00 H new ATOM 0 HA3 GLY A 85 5.410 -3.087 -14.342 1.00 0.00 H new ATOM 1179 N GLU A 86 3.108 -3.120 -13.395 1.00 0.00 N ATOM 1180 CA GLU A 86 1.715 -3.070 -12.965 1.00 0.00 C ATOM 1181 C GLU A 86 1.568 -3.655 -11.564 1.00 0.00 C ATOM 1182 O GLU A 86 1.942 -4.805 -11.320 1.00 0.00 O ATOM 1183 CB GLU A 86 0.821 -3.833 -13.947 1.00 0.00 C ATOM 1184 CG GLU A 86 -0.662 -3.532 -13.780 1.00 0.00 C ATOM 1185 CD GLU A 86 -1.547 -4.669 -14.253 1.00 0.00 C ATOM 1186 OE1 GLU A 86 -1.728 -5.639 -13.487 1.00 0.00 O ATOM 1187 OE2 GLU A 86 -2.060 -4.588 -15.389 1.00 0.00 O ATOM 0 H GLU A 86 3.322 -3.882 -14.038 1.00 0.00 H new ATOM 0 HA GLU A 86 1.402 -2.026 -12.945 1.00 0.00 H new ATOM 0 HB2 GLU A 86 1.121 -3.586 -14.966 1.00 0.00 H new ATOM 0 HB3 GLU A 86 0.983 -4.903 -13.817 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -0.871 -3.327 -12.730 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -0.910 -2.628 -14.337 1.00 0.00 H new ATOM 1194 N ILE A 87 1.031 -2.857 -10.645 1.00 0.00 N ATOM 1195 CA ILE A 87 0.845 -3.296 -9.267 1.00 0.00 C ATOM 1196 C ILE A 87 -0.593 -3.078 -8.802 1.00 0.00 C ATOM 1197 O ILE A 87 -1.102 -1.955 -8.831 1.00 0.00 O ATOM 1198 CB ILE A 87 1.801 -2.557 -8.307 1.00 0.00 C ATOM 1199 CG1 ILE A 87 3.210 -2.476 -8.908 1.00 0.00 C ATOM 1200 CG2 ILE A 87 1.833 -3.253 -6.952 1.00 0.00 C ATOM 1201 CD1 ILE A 87 4.186 -1.689 -8.061 1.00 0.00 C ATOM 0 H ILE A 87 0.718 -1.904 -10.830 1.00 0.00 H new ATOM 0 HA ILE A 87 1.070 -4.362 -9.246 1.00 0.00 H new ATOM 0 HB ILE A 87 1.433 -1.541 -8.164 1.00 0.00 H new ATOM 0 HG12 ILE A 87 3.595 -3.486 -9.047 1.00 0.00 H new ATOM 0 HG13 ILE A 87 3.149 -2.019 -9.896 1.00 0.00 H new ATOM 0 HG21 ILE A 87 2.511 -2.721 -6.285 1.00 0.00 H new ATOM 0 HG22 ILE A 87 0.831 -3.258 -6.522 1.00 0.00 H new ATOM 0 HG23 ILE A 87 2.179 -4.279 -7.078 1.00 0.00 H new ATOM 0 HD11 ILE A 87 5.161 -1.674 -8.548 1.00 0.00 H new ATOM 0 HD12 ILE A 87 3.824 -0.668 -7.943 1.00 0.00 H new ATOM 0 HD13 ILE A 87 4.277 -2.157 -7.081 1.00 0.00 H new ATOM 1213 N GLU A 88 -1.236 -4.159 -8.363 1.00 0.00 N ATOM 1214 CA GLU A 88 -2.612 -4.098 -7.878 1.00 0.00 C ATOM 1215 C GLU A 88 -2.630 -3.917 -6.361 1.00 0.00 C ATOM 1216 O GLU A 88 -2.037 -4.711 -5.629 1.00 0.00 O ATOM 1217 CB GLU A 88 -3.367 -5.374 -8.264 1.00 0.00 C ATOM 1218 CG GLU A 88 -4.810 -5.127 -8.681 1.00 0.00 C ATOM 1219 CD GLU A 88 -5.598 -6.412 -8.859 1.00 0.00 C ATOM 1220 OE1 GLU A 88 -5.562 -7.267 -7.947 1.00 0.00 O ATOM 1221 OE2 GLU A 88 -6.254 -6.562 -9.911 1.00 0.00 O ATOM 0 H GLU A 88 -0.823 -5.091 -8.334 1.00 0.00 H new ATOM 0 HA GLU A 88 -3.107 -3.244 -8.340 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -2.840 -5.864 -9.083 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -3.355 -6.063 -7.419 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -5.300 -4.507 -7.930 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -4.823 -4.566 -9.615 1.00 0.00 H new ATOM 1228 N PHE A 89 -3.299 -2.864 -5.894 1.00 0.00 N ATOM 1229 CA PHE A 89 -3.373 -2.580 -4.463 1.00 0.00 C ATOM 1230 C PHE A 89 -4.810 -2.641 -3.950 1.00 0.00 C ATOM 1231 O PHE A 89 -5.721 -2.069 -4.552 1.00 0.00 O ATOM 1232 CB PHE A 89 -2.774 -1.204 -4.169 1.00 0.00 C ATOM 1233 CG PHE A 89 -1.556 -1.260 -3.293 1.00 0.00 C ATOM 1234 CD1 PHE A 89 -0.301 -1.474 -3.841 1.00 0.00 C ATOM 1235 CD2 PHE A 89 -1.667 -1.100 -1.921 1.00 0.00 C ATOM 1236 CE1 PHE A 89 0.820 -1.529 -3.037 1.00 0.00 C ATOM 1237 CE2 PHE A 89 -0.548 -1.155 -1.112 1.00 0.00 C ATOM 1238 CZ PHE A 89 0.697 -1.368 -1.671 1.00 0.00 C ATOM 0 H PHE A 89 -3.796 -2.196 -6.484 1.00 0.00 H new ATOM 0 HA PHE A 89 -2.799 -3.347 -3.943 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -2.514 -0.720 -5.110 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -3.529 -0.582 -3.689 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -0.199 -1.599 -4.909 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -2.638 -0.931 -1.479 1.00 0.00 H new ATOM 0 HE1 PHE A 89 1.792 -1.698 -3.476 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -0.647 -1.032 -0.044 1.00 0.00 H new ATOM 0 HZ PHE A 89 1.573 -1.409 -1.041 1.00 0.00 H new ATOM 1248 N GLU A 90 -5.000 -3.330 -2.825 1.00 0.00 N ATOM 1249 CA GLU A 90 -6.318 -3.461 -2.216 1.00 0.00 C ATOM 1250 C GLU A 90 -6.314 -2.875 -0.806 1.00 0.00 C ATOM 1251 O GLU A 90 -5.614 -3.372 0.082 1.00 0.00 O ATOM 1252 CB GLU A 90 -6.746 -4.930 -2.181 1.00 0.00 C ATOM 1253 CG GLU A 90 -8.038 -5.201 -2.938 1.00 0.00 C ATOM 1254 CD GLU A 90 -8.734 -6.469 -2.483 1.00 0.00 C ATOM 1255 OE1 GLU A 90 -8.059 -7.515 -2.374 1.00 0.00 O ATOM 1256 OE2 GLU A 90 -9.958 -6.417 -2.240 1.00 0.00 O ATOM 0 H GLU A 90 -4.254 -3.806 -2.318 1.00 0.00 H new ATOM 0 HA GLU A 90 -7.035 -2.905 -2.820 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -5.950 -5.543 -2.604 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -6.870 -5.240 -1.143 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -8.713 -4.355 -2.808 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -7.820 -5.274 -4.004 1.00 0.00 H new ATOM 1263 N VAL A 91 -7.092 -1.808 -0.612 1.00 0.00 N ATOM 1264 CA VAL A 91 -7.175 -1.137 0.685 1.00 0.00 C ATOM 1265 C VAL A 91 -8.620 -0.776 1.046 1.00 0.00 C ATOM 1266 O VAL A 91 -9.524 -0.876 0.213 1.00 0.00 O ATOM 1267 CB VAL A 91 -6.316 0.148 0.706 1.00 0.00 C ATOM 1268 CG1 VAL A 91 -4.832 -0.192 0.701 1.00 0.00 C ATOM 1269 CG2 VAL A 91 -6.663 1.048 -0.472 1.00 0.00 C ATOM 0 H VAL A 91 -7.674 -1.390 -1.338 1.00 0.00 H new ATOM 0 HA VAL A 91 -6.792 -1.841 1.424 1.00 0.00 H new ATOM 0 HB VAL A 91 -6.539 0.688 1.627 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -4.248 0.728 0.716 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -4.592 -0.788 1.581 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -4.592 -0.760 -0.198 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -6.047 1.946 -0.437 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -6.476 0.515 -1.404 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -7.715 1.328 -0.419 1.00 0.00 H new ATOM 1279 N VAL A 92 -8.826 -0.356 2.296 1.00 0.00 N ATOM 1280 CA VAL A 92 -10.153 0.023 2.780 1.00 0.00 C ATOM 1281 C VAL A 92 -10.078 1.303 3.615 1.00 0.00 C ATOM 1282 O VAL A 92 -9.214 1.433 4.484 1.00 0.00 O ATOM 1283 CB VAL A 92 -10.784 -1.102 3.635 1.00 0.00 C ATOM 1284 CG1 VAL A 92 -12.229 -0.776 3.987 1.00 0.00 C ATOM 1285 CG2 VAL A 92 -10.701 -2.440 2.914 1.00 0.00 C ATOM 0 H VAL A 92 -8.087 -0.270 2.993 1.00 0.00 H new ATOM 0 HA VAL A 92 -10.779 0.194 1.904 1.00 0.00 H new ATOM 0 HB VAL A 92 -10.216 -1.174 4.563 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -12.648 -1.583 4.588 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -12.264 0.154 4.554 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -12.810 -0.666 3.072 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -11.151 -3.216 3.534 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -11.236 -2.377 1.967 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -9.656 -2.687 2.725 1.00 0.00 H new ATOM 1295 N TYR A 93 -10.990 2.243 3.350 1.00 0.00 N ATOM 1296 CA TYR A 93 -11.027 3.511 4.084 1.00 0.00 C ATOM 1297 C TYR A 93 -11.374 3.277 5.554 1.00 0.00 C ATOM 1298 O TYR A 93 -12.460 2.787 5.872 1.00 0.00 O ATOM 1299 CB TYR A 93 -12.049 4.471 3.456 1.00 0.00 C ATOM 1300 CG TYR A 93 -11.642 5.932 3.504 1.00 0.00 C ATOM 1301 CD1 TYR A 93 -11.003 6.467 4.619 1.00 0.00 C ATOM 1302 CD2 TYR A 93 -11.894 6.775 2.428 1.00 0.00 C ATOM 1303 CE1 TYR A 93 -10.632 7.797 4.659 1.00 0.00 C ATOM 1304 CE2 TYR A 93 -11.525 8.106 2.461 1.00 0.00 C ATOM 1305 CZ TYR A 93 -10.892 8.611 3.577 1.00 0.00 C ATOM 1306 OH TYR A 93 -10.524 9.937 3.615 1.00 0.00 O ATOM 0 H TYR A 93 -11.711 2.150 2.634 1.00 0.00 H new ATOM 0 HA TYR A 93 -10.036 3.961 4.024 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -12.209 4.184 2.417 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -13.003 4.354 3.969 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -10.794 5.832 5.467 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -12.387 6.383 1.551 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -10.141 8.197 5.534 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -11.731 8.748 1.617 1.00 0.00 H new ATOM 0 HH TYR A 93 -10.778 10.371 2.774 1.00 0.00 H new ATOM 1316 N VAL A 94 -10.449 3.634 6.444 1.00 0.00 N ATOM 1317 CA VAL A 94 -10.662 3.467 7.877 1.00 0.00 C ATOM 1318 C VAL A 94 -11.093 4.786 8.521 1.00 0.00 C ATOM 1319 O VAL A 94 -10.434 5.815 8.357 1.00 0.00 O ATOM 1320 CB VAL A 94 -9.396 2.921 8.581 1.00 0.00 C ATOM 1321 CG1 VAL A 94 -8.228 3.892 8.463 1.00 0.00 C ATOM 1322 CG2 VAL A 94 -9.690 2.606 10.041 1.00 0.00 C ATOM 0 H VAL A 94 -9.547 4.040 6.196 1.00 0.00 H new ATOM 0 HA VAL A 94 -11.461 2.736 8.002 1.00 0.00 H new ATOM 0 HB VAL A 94 -9.108 1.998 8.078 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -7.357 3.476 8.969 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -7.994 4.054 7.411 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -8.496 4.842 8.925 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -8.788 2.223 10.519 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -10.014 3.513 10.551 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -10.478 1.855 10.100 1.00 0.00 H new ATOM 1332 N ALA A 95 -12.211 4.745 9.244 1.00 0.00 N ATOM 1333 CA ALA A 95 -12.744 5.931 9.908 1.00 0.00 C ATOM 1334 C ALA A 95 -13.715 5.551 11.023 1.00 0.00 C ATOM 1335 O ALA A 95 -13.746 6.265 12.046 1.00 0.00 O ATOM 1336 CB ALA A 95 -13.430 6.839 8.895 1.00 0.00 C ATOM 0 H ALA A 95 -12.766 3.901 9.384 1.00 0.00 H new ATOM 0 HA ALA A 95 -11.910 6.469 10.358 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -13.823 7.720 9.403 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -12.710 7.148 8.137 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -14.249 6.300 8.419 1.00 0.00 H new