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= -0.133 K(o=-0.87,f=-0.18) USER MOD Set 1.2: A 83 GLN : amide:sc= -0.736 K(o=-0.87,f=-0.18) USER MOD Set 2.1: A 26 SER OG : rot 180:sc= 0.123 USER MOD Set 2.2: A 43 HIS : no HD1:sc= -0.314 K(o=-0.19,f=-0.94) USER MOD Single : A 12 LYS NZ :NH3+ -156:sc= -0.159 (180deg=-0.779) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 HIS : no HD1:sc= -2.57 X(o=-2.6,f=-2.4) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 162:sc= 0 (180deg=-0.192) USER MOD Single : A 33 HIS : no HE2:sc= 0.478 K(o=0.48,f=-1.7!) USER MOD Single : A 40 SER OG : rot -160:sc= -0.216 USER MOD Single : A 46 GLN : amide:sc= -0.91 K(o=-0.91,f=-3.6!) USER MOD Single : A 51 CYS SG : rot 164:sc= 0.309 USER MOD Single : A 55 HIS : no HD1:sc= -3.58 X(o=-3.6,f=-4!) USER MOD Single : A 67 ASN : amide:sc= -0.324 X(o=-0.32,f=-0.31) USER MOD Single : A 71 THR OG1 : rot 100:sc= -0.23 USER MOD Single : A 72 LYS NZ :NH3+ -165:sc= -0.277 (180deg=-0.85) USER MOD Single : A 73 HIS : no HD1:sc= -0.815 K(o=-0.82,f=-0.067) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0.00789 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 GLN : amide:sc= -0.201 X(o=-0.2,f=-0.022) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 9 -16.733 -1.687 3.124 1.00 0.00 N ATOM 2 CA PRO A 9 -16.458 -1.096 1.784 1.00 0.00 C ATOM 3 C PRO A 9 -14.982 -1.220 1.399 1.00 0.00 C ATOM 4 O PRO A 9 -14.108 -0.683 2.081 1.00 0.00 O ATOM 5 CB PRO A 9 -16.875 0.372 1.836 1.00 0.00 C ATOM 6 CG PRO A 9 -17.225 0.609 3.267 1.00 0.00 C ATOM 7 CD PRO A 9 -17.596 -0.736 3.845 1.00 0.00 C ATOM 0 HA PRO A 9 -17.023 -1.635 1.024 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -16.066 1.026 1.511 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -17.725 0.567 1.182 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -16.383 1.044 3.806 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -18.055 1.310 3.353 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -17.417 -0.771 4.920 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -18.652 -0.959 3.690 1.00 0.00 H new ATOM 17 N ILE A 10 -14.716 -1.933 0.306 1.00 0.00 N ATOM 18 CA ILE A 10 -13.348 -2.132 -0.167 1.00 0.00 C ATOM 19 C ILE A 10 -12.994 -1.144 -1.276 1.00 0.00 C ATOM 20 O ILE A 10 -13.812 -0.856 -2.152 1.00 0.00 O ATOM 21 CB ILE A 10 -13.129 -3.572 -0.680 1.00 0.00 C ATOM 22 CG1 ILE A 10 -13.480 -4.584 0.411 1.00 0.00 C ATOM 23 CG2 ILE A 10 -11.689 -3.764 -1.141 1.00 0.00 C ATOM 24 CD1 ILE A 10 -14.905 -5.090 0.333 1.00 0.00 C ATOM 0 H ILE A 10 -15.429 -2.382 -0.268 1.00 0.00 H new ATOM 0 HA ILE A 10 -12.694 -1.958 0.687 1.00 0.00 H new ATOM 0 HB ILE A 10 -13.787 -3.738 -1.533 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -12.798 -5.432 0.342 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -13.319 -4.125 1.386 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -11.555 -4.785 -1.499 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -11.469 -3.065 -1.948 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -11.012 -3.580 -0.307 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -15.082 -5.804 1.138 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -15.595 -4.252 0.433 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -15.065 -5.579 -0.628 1.00 0.00 H new ATOM 36 N ARG A 11 -11.766 -0.632 -1.227 1.00 0.00 N ATOM 37 CA ARG A 11 -11.286 0.324 -2.221 1.00 0.00 C ATOM 38 C ARG A 11 -10.212 -0.302 -3.110 1.00 0.00 C ATOM 39 O ARG A 11 -9.132 -0.659 -2.635 1.00 0.00 O ATOM 40 CB ARG A 11 -10.727 1.573 -1.529 1.00 0.00 C ATOM 41 CG ARG A 11 -11.734 2.705 -1.391 1.00 0.00 C ATOM 42 CD ARG A 11 -12.965 2.272 -0.609 1.00 0.00 C ATOM 43 NE ARG A 11 -13.948 3.348 -0.495 1.00 0.00 N ATOM 44 CZ ARG A 11 -14.744 3.740 -1.495 1.00 0.00 C ATOM 45 NH1 ARG A 11 -14.667 3.155 -2.689 1.00 0.00 N ATOM 46 NH2 ARG A 11 -15.616 4.724 -1.301 1.00 0.00 N ATOM 0 H ARG A 11 -11.083 -0.865 -0.506 1.00 0.00 H new ATOM 0 HA ARG A 11 -12.130 0.609 -2.850 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -10.368 1.297 -0.538 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -9.866 1.933 -2.091 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -11.264 3.551 -0.890 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -12.034 3.048 -2.381 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -13.423 1.413 -1.100 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -12.666 1.947 0.388 1.00 0.00 H new ATOM 0 HE ARG A 11 -14.032 3.828 0.401 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -13.997 2.402 -2.846 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -15.278 3.460 -3.447 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -15.677 5.179 -0.390 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -16.224 5.024 -2.063 1.00 0.00 H new ATOM 60 N LYS A 12 -10.515 -0.428 -4.401 1.00 0.00 N ATOM 61 CA LYS A 12 -9.578 -1.005 -5.362 1.00 0.00 C ATOM 62 C LYS A 12 -8.818 0.097 -6.100 1.00 0.00 C ATOM 63 O LYS A 12 -9.404 0.842 -6.889 1.00 0.00 O ATOM 64 CB LYS A 12 -10.324 -1.890 -6.369 1.00 0.00 C ATOM 65 CG LYS A 12 -10.522 -3.326 -5.902 1.00 0.00 C ATOM 66 CD LYS A 12 -11.477 -3.413 -4.720 1.00 0.00 C ATOM 67 CE LYS A 12 -12.906 -3.081 -5.124 1.00 0.00 C ATOM 68 NZ LYS A 12 -13.885 -3.423 -4.053 1.00 0.00 N ATOM 0 H LYS A 12 -11.405 -0.137 -4.806 1.00 0.00 H new ATOM 0 HA LYS A 12 -8.861 -1.618 -4.815 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -11.299 -1.448 -6.574 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -9.773 -1.897 -7.309 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -10.909 -3.925 -6.726 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -9.559 -3.753 -5.622 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -11.442 -4.417 -4.298 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -11.151 -2.727 -3.938 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -12.979 -2.018 -5.356 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -13.161 -3.624 -6.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -14.823 -3.574 -4.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -13.580 -4.291 -3.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -13.936 -2.643 -3.367 1.00 0.00 H new ATOM 82 N VAL A 13 -7.515 0.202 -5.836 1.00 0.00 N ATOM 83 CA VAL A 13 -6.681 1.220 -6.474 1.00 0.00 C ATOM 84 C VAL A 13 -5.414 0.606 -7.073 1.00 0.00 C ATOM 85 O VAL A 13 -4.728 -0.184 -6.423 1.00 0.00 O ATOM 86 CB VAL A 13 -6.278 2.330 -5.475 1.00 0.00 C ATOM 87 CG1 VAL A 13 -5.594 3.484 -6.196 1.00 0.00 C ATOM 88 CG2 VAL A 13 -7.490 2.829 -4.697 1.00 0.00 C ATOM 0 H VAL A 13 -7.015 -0.405 -5.186 1.00 0.00 H new ATOM 0 HA VAL A 13 -7.280 1.659 -7.272 1.00 0.00 H new ATOM 0 HB VAL A 13 -5.571 1.901 -4.765 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -5.320 4.253 -5.474 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -4.697 3.120 -6.697 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -6.275 3.907 -6.934 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -7.180 3.609 -4.001 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -8.227 3.234 -5.391 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -7.931 2.002 -4.141 1.00 0.00 H new ATOM 98 N LEU A 14 -5.108 0.981 -8.317 1.00 0.00 N ATOM 99 CA LEU A 14 -3.922 0.475 -9.006 1.00 0.00 C ATOM 100 C LEU A 14 -2.792 1.503 -8.975 1.00 0.00 C ATOM 101 O LEU A 14 -3.014 2.689 -9.225 1.00 0.00 O ATOM 102 CB LEU A 14 -4.258 0.118 -10.457 1.00 0.00 C ATOM 103 CG LEU A 14 -4.802 -1.297 -10.671 1.00 0.00 C ATOM 104 CD1 LEU A 14 -5.850 -1.306 -11.774 1.00 0.00 C ATOM 105 CD2 LEU A 14 -3.670 -2.261 -10.998 1.00 0.00 C ATOM 0 H LEU A 14 -5.666 1.634 -8.867 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.589 -0.423 -8.485 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.992 0.832 -10.829 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.359 0.240 -11.062 1.00 0.00 H new ATOM 0 HG LEU A 14 -5.276 -1.627 -9.746 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -6.225 -2.320 -11.911 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -6.675 -0.649 -11.498 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -5.402 -0.955 -12.704 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -4.076 -3.262 -11.147 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -3.166 -1.935 -11.908 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -2.957 -2.278 -10.174 1.00 0.00 H new ATOM 117 N LEU A 15 -1.580 1.039 -8.670 1.00 0.00 N ATOM 118 CA LEU A 15 -0.413 1.915 -8.608 1.00 0.00 C ATOM 119 C LEU A 15 0.640 1.492 -9.634 1.00 0.00 C ATOM 120 O LEU A 15 1.145 0.369 -9.593 1.00 0.00 O ATOM 121 CB LEU A 15 0.188 1.901 -7.197 1.00 0.00 C ATOM 122 CG LEU A 15 -0.095 3.152 -6.356 1.00 0.00 C ATOM 123 CD1 LEU A 15 -1.573 3.238 -5.996 1.00 0.00 C ATOM 124 CD2 LEU A 15 0.764 3.153 -5.098 1.00 0.00 C ATOM 0 H LEU A 15 -1.382 0.060 -8.462 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.735 2.929 -8.845 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -0.195 1.030 -6.665 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.267 1.775 -7.280 1.00 0.00 H new ATOM 0 HG LEU A 15 0.161 4.029 -6.950 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.751 4.133 -5.400 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.168 3.286 -6.908 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.860 2.357 -5.422 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.551 4.047 -4.513 1.00 0.00 H new ATOM 0 HD22 LEU A 15 0.539 2.268 -4.503 1.00 0.00 H new ATOM 0 HD23 LEU A 15 1.818 3.145 -5.377 1.00 0.00 H new ATOM 136 N LEU A 16 0.963 2.403 -10.552 1.00 0.00 N ATOM 137 CA LEU A 16 1.953 2.133 -11.593 1.00 0.00 C ATOM 138 C LEU A 16 3.211 2.969 -11.373 1.00 0.00 C ATOM 139 O LEU A 16 3.141 4.196 -11.286 1.00 0.00 O ATOM 140 CB LEU A 16 1.363 2.432 -12.976 1.00 0.00 C ATOM 141 CG LEU A 16 1.437 1.283 -13.987 1.00 0.00 C ATOM 142 CD1 LEU A 16 2.877 0.832 -14.188 1.00 0.00 C ATOM 143 CD2 LEU A 16 0.565 0.119 -13.537 1.00 0.00 C ATOM 0 H LEU A 16 0.552 3.336 -10.595 1.00 0.00 H new ATOM 0 HA LEU A 16 2.224 1.078 -11.541 1.00 0.00 H new ATOM 0 HB2 LEU A 16 0.318 2.717 -12.852 1.00 0.00 H new ATOM 0 HB3 LEU A 16 1.881 3.295 -13.394 1.00 0.00 H new ATOM 0 HG LEU A 16 1.060 1.644 -14.944 1.00 0.00 H new ATOM 0 HD11 LEU A 16 2.905 0.016 -14.910 1.00 0.00 H new ATOM 0 HD12 LEU A 16 3.471 1.666 -14.561 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.287 0.490 -13.238 1.00 0.00 H new ATOM 0 HD21 LEU A 16 0.630 -0.688 -14.267 1.00 0.00 H new ATOM 0 HD22 LEU A 16 0.910 -0.240 -12.567 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -0.470 0.451 -13.454 1.00 0.00 H new ATOM 155 N LYS A 17 4.359 2.298 -11.284 1.00 0.00 N ATOM 156 CA LYS A 17 5.632 2.983 -11.074 1.00 0.00 C ATOM 157 C LYS A 17 6.729 2.401 -11.965 1.00 0.00 C ATOM 158 O LYS A 17 6.735 1.204 -12.258 1.00 0.00 O ATOM 159 CB LYS A 17 6.050 2.895 -9.602 1.00 0.00 C ATOM 160 CG LYS A 17 6.081 1.475 -9.054 1.00 0.00 C ATOM 161 CD LYS A 17 7.379 1.190 -8.315 1.00 0.00 C ATOM 162 CE LYS A 17 7.157 0.251 -7.139 1.00 0.00 C ATOM 163 NZ LYS A 17 8.042 0.577 -5.986 1.00 0.00 N ATOM 0 H LYS A 17 4.433 1.283 -11.354 1.00 0.00 H new ATOM 0 HA LYS A 17 5.495 4.030 -11.344 1.00 0.00 H new ATOM 0 HB2 LYS A 17 7.039 3.340 -9.488 1.00 0.00 H new ATOM 0 HB3 LYS A 17 5.361 3.490 -9.003 1.00 0.00 H new ATOM 0 HG2 LYS A 17 5.237 1.326 -8.380 1.00 0.00 H new ATOM 0 HG3 LYS A 17 5.964 0.765 -9.873 1.00 0.00 H new ATOM 0 HD2 LYS A 17 8.101 0.749 -9.002 1.00 0.00 H new ATOM 0 HD3 LYS A 17 7.809 2.126 -7.958 1.00 0.00 H new ATOM 0 HE2 LYS A 17 6.115 0.307 -6.823 1.00 0.00 H new ATOM 0 HE3 LYS A 17 7.339 -0.776 -7.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 7.857 -0.087 -5.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 9.037 0.499 -6.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 7.851 1.548 -5.665 1.00 0.00 H new ATOM 177 N GLU A 18 7.656 3.258 -12.389 1.00 0.00 N ATOM 178 CA GLU A 18 8.762 2.836 -13.245 1.00 0.00 C ATOM 179 C GLU A 18 10.042 2.642 -12.436 1.00 0.00 C ATOM 180 O GLU A 18 10.111 3.024 -11.266 1.00 0.00 O ATOM 181 CB GLU A 18 8.999 3.867 -14.348 1.00 0.00 C ATOM 182 CG GLU A 18 8.306 3.525 -15.655 1.00 0.00 C ATOM 183 CD GLU A 18 9.225 2.815 -16.630 1.00 0.00 C ATOM 184 OE1 GLU A 18 10.092 3.489 -17.226 1.00 0.00 O ATOM 185 OE2 GLU A 18 9.079 1.585 -16.797 1.00 0.00 O ATOM 0 H GLU A 18 7.663 4.250 -12.153 1.00 0.00 H new ATOM 0 HA GLU A 18 8.492 1.881 -13.695 1.00 0.00 H new ATOM 0 HB2 GLU A 18 8.650 4.841 -14.005 1.00 0.00 H new ATOM 0 HB3 GLU A 18 10.071 3.957 -14.527 1.00 0.00 H new ATOM 0 HG2 GLU A 18 7.441 2.894 -15.450 1.00 0.00 H new ATOM 0 HG3 GLU A 18 7.931 4.440 -16.114 1.00 0.00 H new ATOM 192 N ASP A 19 11.057 2.048 -13.067 1.00 0.00 N ATOM 193 CA ASP A 19 12.338 1.806 -12.403 1.00 0.00 C ATOM 194 C ASP A 19 12.975 3.118 -11.951 1.00 0.00 C ATOM 195 O ASP A 19 13.574 3.187 -10.876 1.00 0.00 O ATOM 196 CB ASP A 19 13.295 1.049 -13.329 1.00 0.00 C ATOM 197 CG ASP A 19 14.006 -0.089 -12.622 1.00 0.00 C ATOM 198 OD1 ASP A 19 13.329 -0.872 -11.920 1.00 0.00 O ATOM 199 OD2 ASP A 19 15.241 -0.198 -12.768 1.00 0.00 O ATOM 0 H ASP A 19 11.016 1.727 -14.034 1.00 0.00 H new ATOM 0 HA ASP A 19 12.146 1.193 -11.522 1.00 0.00 H new ATOM 0 HB2 ASP A 19 12.738 0.654 -14.178 1.00 0.00 H new ATOM 0 HB3 ASP A 19 14.034 1.743 -13.729 1.00 0.00 H new ATOM 204 N HIS A 20 12.835 4.158 -12.773 1.00 0.00 N ATOM 205 CA HIS A 20 13.388 5.469 -12.449 1.00 0.00 C ATOM 206 C HIS A 20 12.580 6.148 -11.335 1.00 0.00 C ATOM 207 O HIS A 20 13.122 6.943 -10.566 1.00 0.00 O ATOM 208 CB HIS A 20 13.438 6.361 -13.699 1.00 0.00 C ATOM 209 CG HIS A 20 12.115 6.551 -14.381 1.00 0.00 C ATOM 210 ND1 HIS A 20 11.238 7.561 -14.054 1.00 0.00 N ATOM 211 CD2 HIS A 20 11.528 5.857 -15.386 1.00 0.00 C ATOM 212 CE1 HIS A 20 10.169 7.482 -14.827 1.00 0.00 C ATOM 213 NE2 HIS A 20 10.319 6.456 -15.645 1.00 0.00 N ATOM 0 H HIS A 20 12.344 4.116 -13.666 1.00 0.00 H new ATOM 0 HA HIS A 20 14.406 5.324 -12.088 1.00 0.00 H new ATOM 0 HB2 HIS A 20 13.831 7.338 -13.417 1.00 0.00 H new ATOM 0 HB3 HIS A 20 14.141 5.928 -14.411 1.00 0.00 H new ATOM 0 HD2 HIS A 20 11.935 4.993 -15.890 1.00 0.00 H new ATOM 0 HE1 HIS A 20 9.317 8.145 -14.795 1.00 0.00 H new ATOM 0 HE2 HIS A 20 9.648 6.157 -16.353 1.00 0.00 H new ATOM 222 N GLU A 21 11.283 5.826 -11.250 1.00 0.00 N ATOM 223 CA GLU A 21 10.405 6.399 -10.226 1.00 0.00 C ATOM 224 C GLU A 21 10.494 5.609 -8.917 1.00 0.00 C ATOM 225 O GLU A 21 11.197 4.599 -8.836 1.00 0.00 O ATOM 226 CB GLU A 21 8.953 6.420 -10.717 1.00 0.00 C ATOM 227 CG GLU A 21 8.745 7.228 -11.990 1.00 0.00 C ATOM 228 CD GLU A 21 7.493 8.086 -11.949 1.00 0.00 C ATOM 229 OE1 GLU A 21 7.352 8.891 -11.004 1.00 0.00 O ATOM 230 OE2 GLU A 21 6.656 7.957 -12.867 1.00 0.00 O ATOM 0 H GLU A 21 10.820 5.171 -11.880 1.00 0.00 H new ATOM 0 HA GLU A 21 10.737 7.420 -10.038 1.00 0.00 H new ATOM 0 HB2 GLU A 21 8.623 5.396 -10.890 1.00 0.00 H new ATOM 0 HB3 GLU A 21 8.319 6.830 -9.930 1.00 0.00 H new ATOM 0 HG2 GLU A 21 9.612 7.868 -12.154 1.00 0.00 H new ATOM 0 HG3 GLU A 21 8.685 6.548 -12.840 1.00 0.00 H new ATOM 237 N GLY A 22 9.774 6.078 -7.893 1.00 0.00 N ATOM 238 CA GLY A 22 9.784 5.409 -6.600 1.00 0.00 C ATOM 239 C GLY A 22 8.392 5.039 -6.108 1.00 0.00 C ATOM 240 O GLY A 22 7.470 4.863 -6.908 1.00 0.00 O ATOM 0 H GLY A 22 9.185 6.909 -7.938 1.00 0.00 H new ATOM 0 HA2 GLY A 22 10.390 4.506 -6.670 1.00 0.00 H new ATOM 0 HA3 GLY A 22 10.262 6.058 -5.866 1.00 0.00 H new ATOM 244 N LEU A 23 8.244 4.917 -4.784 1.00 0.00 N ATOM 245 CA LEU A 23 6.959 4.561 -4.174 1.00 0.00 C ATOM 246 C LEU A 23 5.963 5.718 -4.270 1.00 0.00 C ATOM 247 O LEU A 23 4.964 5.628 -4.986 1.00 0.00 O ATOM 248 CB LEU A 23 7.151 4.156 -2.702 1.00 0.00 C ATOM 249 CG LEU A 23 6.830 2.694 -2.376 1.00 0.00 C ATOM 250 CD1 LEU A 23 7.010 2.425 -0.889 1.00 0.00 C ATOM 251 CD2 LEU A 23 5.413 2.348 -2.812 1.00 0.00 C ATOM 0 H LEU A 23 9.000 5.060 -4.114 1.00 0.00 H new ATOM 0 HA LEU A 23 6.555 3.712 -4.725 1.00 0.00 H new ATOM 0 HB2 LEU A 23 8.185 4.355 -2.420 1.00 0.00 H new ATOM 0 HB3 LEU A 23 6.523 4.795 -2.082 1.00 0.00 H new ATOM 0 HG LEU A 23 7.525 2.060 -2.927 1.00 0.00 H new ATOM 0 HD11 LEU A 23 6.777 1.381 -0.677 1.00 0.00 H new ATOM 0 HD12 LEU A 23 8.042 2.632 -0.604 1.00 0.00 H new ATOM 0 HD13 LEU A 23 6.340 3.069 -0.319 1.00 0.00 H new ATOM 0 HD21 LEU A 23 5.203 1.306 -2.572 1.00 0.00 H new ATOM 0 HD22 LEU A 23 4.704 2.990 -2.289 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.316 2.500 -3.887 1.00 0.00 H new ATOM 263 N GLY A 24 6.243 6.803 -3.544 1.00 0.00 N ATOM 264 CA GLY A 24 5.365 7.965 -3.560 1.00 0.00 C ATOM 265 C GLY A 24 4.330 7.967 -2.440 1.00 0.00 C ATOM 266 O GLY A 24 3.477 8.856 -2.390 1.00 0.00 O ATOM 0 H GLY A 24 7.063 6.897 -2.945 1.00 0.00 H new ATOM 0 HA2 GLY A 24 5.971 8.868 -3.484 1.00 0.00 H new ATOM 0 HA3 GLY A 24 4.849 8.006 -4.519 1.00 0.00 H new ATOM 270 N ILE A 25 4.399 6.982 -1.541 1.00 0.00 N ATOM 271 CA ILE A 25 3.456 6.892 -0.425 1.00 0.00 C ATOM 272 C ILE A 25 4.143 6.380 0.841 1.00 0.00 C ATOM 273 O ILE A 25 5.104 5.612 0.767 1.00 0.00 O ATOM 274 CB ILE A 25 2.265 5.964 -0.752 1.00 0.00 C ATOM 275 CG1 ILE A 25 2.761 4.581 -1.188 1.00 0.00 C ATOM 276 CG2 ILE A 25 1.386 6.583 -1.829 1.00 0.00 C ATOM 277 CD1 ILE A 25 2.798 3.572 -0.061 1.00 0.00 C ATOM 0 H ILE A 25 5.096 6.238 -1.564 1.00 0.00 H new ATOM 0 HA ILE A 25 3.083 7.902 -0.256 1.00 0.00 H new ATOM 0 HB ILE A 25 1.667 5.842 0.151 1.00 0.00 H new ATOM 0 HG12 ILE A 25 2.115 4.205 -1.981 1.00 0.00 H new ATOM 0 HG13 ILE A 25 3.761 4.679 -1.611 1.00 0.00 H new ATOM 0 HG21 ILE A 25 0.552 5.915 -2.046 1.00 0.00 H new ATOM 0 HG22 ILE A 25 1.002 7.541 -1.479 1.00 0.00 H new ATOM 0 HG23 ILE A 25 1.973 6.737 -2.734 1.00 0.00 H new ATOM 0 HD11 ILE A 25 3.158 2.616 -0.440 1.00 0.00 H new ATOM 0 HD12 ILE A 25 3.467 3.927 0.723 1.00 0.00 H new ATOM 0 HD13 ILE A 25 1.795 3.446 0.347 1.00 0.00 H new ATOM 289 N SER A 26 3.637 6.805 2.000 1.00 0.00 N ATOM 290 CA SER A 26 4.195 6.384 3.285 1.00 0.00 C ATOM 291 C SER A 26 3.131 5.691 4.136 1.00 0.00 C ATOM 292 O SER A 26 1.987 6.147 4.209 1.00 0.00 O ATOM 293 CB SER A 26 4.768 7.586 4.045 1.00 0.00 C ATOM 294 OG SER A 26 5.328 8.542 3.158 1.00 0.00 O ATOM 0 H SER A 26 2.842 7.440 2.075 1.00 0.00 H new ATOM 0 HA SER A 26 5.000 5.677 3.086 1.00 0.00 H new ATOM 0 HB2 SER A 26 3.980 8.054 4.636 1.00 0.00 H new ATOM 0 HB3 SER A 26 5.532 7.246 4.744 1.00 0.00 H new ATOM 0 HG SER A 26 5.683 9.297 3.672 1.00 0.00 H new ATOM 300 N ILE A 27 3.515 4.585 4.775 1.00 0.00 N ATOM 301 CA ILE A 27 2.594 3.824 5.619 1.00 0.00 C ATOM 302 C ILE A 27 3.136 3.667 7.039 1.00 0.00 C ATOM 303 O ILE A 27 4.343 3.776 7.272 1.00 0.00 O ATOM 304 CB ILE A 27 2.312 2.424 5.029 1.00 0.00 C ATOM 305 CG1 ILE A 27 3.616 1.636 4.860 1.00 0.00 C ATOM 306 CG2 ILE A 27 1.582 2.542 3.697 1.00 0.00 C ATOM 307 CD1 ILE A 27 3.406 0.152 4.644 1.00 0.00 C ATOM 0 H ILE A 27 4.457 4.197 4.724 1.00 0.00 H new ATOM 0 HA ILE A 27 1.664 4.391 5.653 1.00 0.00 H new ATOM 0 HB ILE A 27 1.672 1.882 5.725 1.00 0.00 H new ATOM 0 HG12 ILE A 27 4.169 2.043 4.013 1.00 0.00 H new ATOM 0 HG13 ILE A 27 4.236 1.781 5.745 1.00 0.00 H new ATOM 0 HG21 ILE A 27 1.392 1.546 3.297 1.00 0.00 H new ATOM 0 HG22 ILE A 27 0.635 3.060 3.846 1.00 0.00 H new ATOM 0 HG23 ILE A 27 2.196 3.104 2.994 1.00 0.00 H new ATOM 0 HD11 ILE A 27 4.372 -0.340 4.533 1.00 0.00 H new ATOM 0 HD12 ILE A 27 2.881 -0.270 5.501 1.00 0.00 H new ATOM 0 HD13 ILE A 27 2.813 -0.004 3.743 1.00 0.00 H new ATOM 319 N THR A 28 2.234 3.406 7.986 1.00 0.00 N ATOM 320 CA THR A 28 2.616 3.230 9.386 1.00 0.00 C ATOM 321 C THR A 28 1.778 2.137 10.052 1.00 0.00 C ATOM 322 O THR A 28 0.608 1.939 9.709 1.00 0.00 O ATOM 323 CB THR A 28 2.470 4.555 10.149 1.00 0.00 C ATOM 324 OG1 THR A 28 2.740 4.377 11.531 1.00 0.00 O ATOM 325 CG2 THR A 28 1.094 5.178 10.026 1.00 0.00 C ATOM 0 H THR A 28 1.234 3.312 7.808 1.00 0.00 H new ATOM 0 HA THR A 28 3.660 2.920 9.416 1.00 0.00 H new ATOM 0 HB THR A 28 3.195 5.226 9.688 1.00 0.00 H new ATOM 0 HG1 THR A 28 2.643 5.234 11.996 1.00 0.00 H new ATOM 0 HG21 THR A 28 1.065 6.110 10.590 1.00 0.00 H new ATOM 0 HG22 THR A 28 0.879 5.382 8.977 1.00 0.00 H new ATOM 0 HG23 THR A 28 0.347 4.491 10.422 1.00 0.00 H new ATOM 333 N GLY A 29 2.391 1.427 11.000 1.00 0.00 N ATOM 334 CA GLY A 29 1.702 0.358 11.704 1.00 0.00 C ATOM 335 C GLY A 29 2.476 -0.950 11.674 1.00 0.00 C ATOM 336 O GLY A 29 3.687 -0.954 11.441 1.00 0.00 O ATOM 0 H GLY A 29 3.357 1.575 11.293 1.00 0.00 H new ATOM 0 HA2 GLY A 29 1.538 0.656 12.740 1.00 0.00 H new ATOM 0 HA3 GLY A 29 0.720 0.206 11.256 1.00 0.00 H new ATOM 340 N GLY A 30 1.777 -2.062 11.905 1.00 0.00 N ATOM 341 CA GLY A 30 2.424 -3.364 11.893 1.00 0.00 C ATOM 342 C GLY A 30 1.556 -4.452 12.495 1.00 0.00 C ATOM 343 O GLY A 30 1.175 -4.373 13.663 1.00 0.00 O ATOM 0 H GLY A 30 0.776 -2.083 12.100 1.00 0.00 H new ATOM 0 HA2 GLY A 30 2.675 -3.631 10.867 1.00 0.00 H new ATOM 0 HA3 GLY A 30 3.362 -3.305 12.446 1.00 0.00 H new ATOM 347 N LYS A 31 1.251 -5.474 11.694 1.00 0.00 N ATOM 348 CA LYS A 31 0.425 -6.595 12.147 1.00 0.00 C ATOM 349 C LYS A 31 1.005 -7.241 13.407 1.00 0.00 C ATOM 350 O LYS A 31 0.260 -7.701 14.272 1.00 0.00 O ATOM 351 CB LYS A 31 0.299 -7.644 11.038 1.00 0.00 C ATOM 352 CG LYS A 31 -0.655 -8.782 11.370 1.00 0.00 C ATOM 353 CD LYS A 31 -2.106 -8.328 11.334 1.00 0.00 C ATOM 354 CE LYS A 31 -3.027 -9.362 11.966 1.00 0.00 C ATOM 355 NZ LYS A 31 -4.462 -9.102 11.657 1.00 0.00 N ATOM 0 H LYS A 31 1.564 -5.549 10.726 1.00 0.00 H new ATOM 0 HA LYS A 31 -0.563 -6.203 12.388 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -0.039 -7.154 10.125 1.00 0.00 H new ATOM 0 HB3 LYS A 31 1.285 -8.059 10.830 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -0.511 -9.597 10.660 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -0.421 -9.176 12.359 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -2.205 -7.379 11.862 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -2.408 -8.152 10.302 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -2.754 -10.355 11.609 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -2.884 -9.361 13.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -5.017 -9.964 11.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -4.814 -8.333 12.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -4.558 -8.827 10.659 1.00 0.00 H new ATOM 369 N GLU A 32 2.337 -7.270 13.505 1.00 0.00 N ATOM 370 CA GLU A 32 3.013 -7.855 14.663 1.00 0.00 C ATOM 371 C GLU A 32 2.567 -7.176 15.963 1.00 0.00 C ATOM 372 O GLU A 32 2.522 -7.810 17.018 1.00 0.00 O ATOM 373 CB GLU A 32 4.531 -7.740 14.505 1.00 0.00 C ATOM 374 CG GLU A 32 5.317 -8.357 15.651 1.00 0.00 C ATOM 375 CD GLU A 32 6.084 -7.323 16.451 1.00 0.00 C ATOM 376 OE1 GLU A 32 5.465 -6.647 17.301 1.00 0.00 O ATOM 377 OE2 GLU A 32 7.305 -7.186 16.224 1.00 0.00 O ATOM 0 H GLU A 32 2.967 -6.895 12.796 1.00 0.00 H new ATOM 0 HA GLU A 32 2.739 -8.909 14.717 1.00 0.00 H new ATOM 0 HB2 GLU A 32 4.827 -8.222 13.573 1.00 0.00 H new ATOM 0 HB3 GLU A 32 4.799 -6.687 14.419 1.00 0.00 H new ATOM 0 HG2 GLU A 32 4.633 -8.889 16.312 1.00 0.00 H new ATOM 0 HG3 GLU A 32 6.014 -9.095 15.254 1.00 0.00 H new ATOM 384 N HIS A 33 2.231 -5.887 15.877 1.00 0.00 N ATOM 385 CA HIS A 33 1.778 -5.129 17.044 1.00 0.00 C ATOM 386 C HIS A 33 0.323 -5.458 17.382 1.00 0.00 C ATOM 387 O HIS A 33 -0.081 -5.390 18.543 1.00 0.00 O ATOM 388 CB HIS A 33 1.914 -3.623 16.797 1.00 0.00 C ATOM 389 CG HIS A 33 3.327 -3.151 16.615 1.00 0.00 C ATOM 390 ND1 HIS A 33 4.433 -3.957 16.811 1.00 0.00 N ATOM 391 CD2 HIS A 33 3.809 -1.938 16.250 1.00 0.00 C ATOM 392 CE1 HIS A 33 5.530 -3.259 16.577 1.00 0.00 C ATOM 393 NE2 HIS A 33 5.179 -2.033 16.235 1.00 0.00 N ATOM 0 H HIS A 33 2.264 -5.347 15.012 1.00 0.00 H new ATOM 0 HA HIS A 33 2.409 -5.414 17.886 1.00 0.00 H new ATOM 0 HB2 HIS A 33 1.338 -3.359 15.910 1.00 0.00 H new ATOM 0 HB3 HIS A 33 1.470 -3.088 17.636 1.00 0.00 H new ATOM 0 HD1 HIS A 33 4.406 -4.937 17.092 1.00 0.00 H new ATOM 0 HD2 HIS A 33 3.225 -1.061 16.015 1.00 0.00 H new ATOM 0 HE1 HIS A 33 6.542 -3.628 16.653 1.00 0.00 H new ATOM 402 N GLY A 34 -0.461 -5.804 16.359 1.00 0.00 N ATOM 403 CA GLY A 34 -1.862 -6.127 16.569 1.00 0.00 C ATOM 404 C GLY A 34 -2.782 -5.450 15.565 1.00 0.00 C ATOM 405 O GLY A 34 -3.841 -5.983 15.232 1.00 0.00 O ATOM 0 H GLY A 34 -0.149 -5.866 15.390 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -1.994 -7.207 16.505 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -2.151 -5.830 17.577 1.00 0.00 H new ATOM 409 N VAL A 35 -2.380 -4.272 15.084 1.00 0.00 N ATOM 410 CA VAL A 35 -3.179 -3.524 14.115 1.00 0.00 C ATOM 411 C VAL A 35 -2.523 -3.522 12.734 1.00 0.00 C ATOM 412 O VAL A 35 -1.307 -3.359 12.615 1.00 0.00 O ATOM 413 CB VAL A 35 -3.401 -2.062 14.566 1.00 0.00 C ATOM 414 CG1 VAL A 35 -4.375 -2.004 15.732 1.00 0.00 C ATOM 415 CG2 VAL A 35 -2.079 -1.398 14.936 1.00 0.00 C ATOM 0 H VAL A 35 -1.507 -3.817 15.350 1.00 0.00 H new ATOM 0 HA VAL A 35 -4.143 -4.028 14.056 1.00 0.00 H new ATOM 0 HB VAL A 35 -3.832 -1.512 13.730 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -4.518 -0.967 16.035 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -5.332 -2.429 15.428 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -3.974 -2.575 16.570 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -2.263 -0.370 15.250 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -1.611 -1.948 15.752 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -1.416 -1.400 14.071 1.00 0.00 H new ATOM 425 N PRO A 36 -3.325 -3.699 11.664 1.00 0.00 N ATOM 426 CA PRO A 36 -2.819 -3.711 10.284 1.00 0.00 C ATOM 427 C PRO A 36 -2.157 -2.388 9.899 1.00 0.00 C ATOM 428 O PRO A 36 -2.435 -1.348 10.498 1.00 0.00 O ATOM 429 CB PRO A 36 -4.076 -3.949 9.434 1.00 0.00 C ATOM 430 CG PRO A 36 -5.081 -4.516 10.378 1.00 0.00 C ATOM 431 CD PRO A 36 -4.784 -3.899 11.712 1.00 0.00 C ATOM 0 HA PRO A 36 -2.049 -4.470 10.143 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -4.433 -3.020 8.989 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -3.873 -4.638 8.614 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -6.096 -4.281 10.056 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -5.005 -5.602 10.424 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -5.317 -2.958 11.850 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -5.075 -4.553 12.534 1.00 0.00 H new ATOM 439 N ILE A 37 -1.279 -2.433 8.899 1.00 0.00 N ATOM 440 CA ILE A 37 -0.578 -1.235 8.440 1.00 0.00 C ATOM 441 C ILE A 37 -1.450 -0.431 7.474 1.00 0.00 C ATOM 442 O ILE A 37 -2.106 -1.000 6.598 1.00 0.00 O ATOM 443 CB ILE A 37 0.758 -1.588 7.744 1.00 0.00 C ATOM 444 CG1 ILE A 37 1.570 -2.572 8.594 1.00 0.00 C ATOM 445 CG2 ILE A 37 1.568 -0.326 7.480 1.00 0.00 C ATOM 446 CD1 ILE A 37 1.414 -4.018 8.170 1.00 0.00 C ATOM 0 H ILE A 37 -1.036 -3.284 8.392 1.00 0.00 H new ATOM 0 HA ILE A 37 -0.364 -0.634 9.324 1.00 0.00 H new ATOM 0 HB ILE A 37 0.531 -2.064 6.790 1.00 0.00 H new ATOM 0 HG12 ILE A 37 2.624 -2.299 8.542 1.00 0.00 H new ATOM 0 HG13 ILE A 37 1.267 -2.474 9.636 1.00 0.00 H new ATOM 0 HG21 ILE A 37 2.505 -0.591 6.990 1.00 0.00 H new ATOM 0 HG22 ILE A 37 0.998 0.344 6.836 1.00 0.00 H new ATOM 0 HG23 ILE A 37 1.781 0.174 8.425 1.00 0.00 H new ATOM 0 HD11 ILE A 37 2.018 -4.654 8.817 1.00 0.00 H new ATOM 0 HD12 ILE A 37 0.367 -4.309 8.249 1.00 0.00 H new ATOM 0 HD13 ILE A 37 1.745 -4.132 7.138 1.00 0.00 H new ATOM 458 N LEU A 38 -1.458 0.893 7.643 1.00 0.00 N ATOM 459 CA LEU A 38 -2.257 1.771 6.786 1.00 0.00 C ATOM 460 C LEU A 38 -1.445 2.976 6.296 1.00 0.00 C ATOM 461 O LEU A 38 -0.394 3.301 6.853 1.00 0.00 O ATOM 462 CB LEU A 38 -3.513 2.248 7.528 1.00 0.00 C ATOM 463 CG LEU A 38 -3.267 2.907 8.888 1.00 0.00 C ATOM 464 CD1 LEU A 38 -3.060 4.406 8.728 1.00 0.00 C ATOM 465 CD2 LEU A 38 -4.427 2.624 9.831 1.00 0.00 C ATOM 0 H LEU A 38 -0.923 1.379 8.362 1.00 0.00 H new ATOM 0 HA LEU A 38 -2.556 1.192 5.913 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -4.042 2.957 6.891 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -4.174 1.394 7.672 1.00 0.00 H new ATOM 0 HG LEU A 38 -2.360 2.482 9.318 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -2.887 4.856 9.706 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -2.197 4.588 8.087 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -3.947 4.850 8.277 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -4.238 3.099 10.794 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -5.348 3.022 9.405 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -4.528 1.548 9.971 1.00 0.00 H new ATOM 477 N ILE A 39 -1.950 3.634 5.248 1.00 0.00 N ATOM 478 CA ILE A 39 -1.291 4.805 4.670 1.00 0.00 C ATOM 479 C ILE A 39 -1.683 6.077 5.417 1.00 0.00 C ATOM 480 O ILE A 39 -2.870 6.345 5.618 1.00 0.00 O ATOM 481 CB ILE A 39 -1.646 4.983 3.175 1.00 0.00 C ATOM 482 CG1 ILE A 39 -1.463 3.667 2.413 1.00 0.00 C ATOM 483 CG2 ILE A 39 -0.795 6.084 2.551 1.00 0.00 C ATOM 484 CD1 ILE A 39 -2.214 3.618 1.099 1.00 0.00 C ATOM 0 H ILE A 39 -2.818 3.372 4.782 1.00 0.00 H new ATOM 0 HA ILE A 39 -0.218 4.636 4.764 1.00 0.00 H new ATOM 0 HB ILE A 39 -2.694 5.275 3.106 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -0.401 3.513 2.221 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -1.796 2.842 3.043 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -1.058 6.195 1.499 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -0.977 7.024 3.072 1.00 0.00 H new ATOM 0 HG23 ILE A 39 0.259 5.821 2.635 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -2.038 2.657 0.615 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -3.281 3.740 1.285 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -1.864 4.421 0.450 1.00 0.00 H new ATOM 496 N SER A 40 -0.680 6.858 5.817 1.00 0.00 N ATOM 497 CA SER A 40 -0.915 8.107 6.538 1.00 0.00 C ATOM 498 C SER A 40 -0.414 9.319 5.746 1.00 0.00 C ATOM 499 O SER A 40 -1.059 10.370 5.743 1.00 0.00 O ATOM 500 CB SER A 40 -0.238 8.063 7.908 1.00 0.00 C ATOM 501 OG SER A 40 -0.850 7.095 8.743 1.00 0.00 O ATOM 0 H SER A 40 0.304 6.647 5.653 1.00 0.00 H new ATOM 0 HA SER A 40 -1.992 8.214 6.670 1.00 0.00 H new ATOM 0 HB2 SER A 40 0.820 7.829 7.788 1.00 0.00 H new ATOM 0 HB3 SER A 40 -0.296 9.044 8.379 1.00 0.00 H new ATOM 0 HG SER A 40 -0.637 7.289 9.680 1.00 0.00 H new ATOM 507 N GLU A 41 0.737 9.175 5.078 1.00 0.00 N ATOM 508 CA GLU A 41 1.308 10.270 4.291 1.00 0.00 C ATOM 509 C GLU A 41 1.322 9.937 2.800 1.00 0.00 C ATOM 510 O GLU A 41 1.505 8.781 2.410 1.00 0.00 O ATOM 511 CB GLU A 41 2.728 10.591 4.766 1.00 0.00 C ATOM 512 CG GLU A 41 3.314 11.851 4.139 1.00 0.00 C ATOM 513 CD GLU A 41 4.333 12.541 5.030 1.00 0.00 C ATOM 514 OE1 GLU A 41 5.007 11.845 5.821 1.00 0.00 O ATOM 515 OE2 GLU A 41 4.461 13.779 4.934 1.00 0.00 O ATOM 0 H GLU A 41 1.287 8.316 5.068 1.00 0.00 H new ATOM 0 HA GLU A 41 0.675 11.145 4.440 1.00 0.00 H new ATOM 0 HB2 GLU A 41 2.722 10.704 5.850 1.00 0.00 H new ATOM 0 HB3 GLU A 41 3.378 9.746 4.537 1.00 0.00 H new ATOM 0 HG2 GLU A 41 3.785 11.592 3.191 1.00 0.00 H new ATOM 0 HG3 GLU A 41 2.506 12.547 3.914 1.00 0.00 H new ATOM 522 N ILE A 42 1.129 10.966 1.974 1.00 0.00 N ATOM 523 CA ILE A 42 1.118 10.807 0.523 1.00 0.00 C ATOM 524 C ILE A 42 2.023 11.848 -0.137 1.00 0.00 C ATOM 525 O ILE A 42 1.967 13.031 0.203 1.00 0.00 O ATOM 526 CB ILE A 42 -0.312 10.944 -0.048 1.00 0.00 C ATOM 527 CG1 ILE A 42 -1.295 10.079 0.750 1.00 0.00 C ATOM 528 CG2 ILE A 42 -0.339 10.561 -1.523 1.00 0.00 C ATOM 529 CD1 ILE A 42 -2.748 10.395 0.465 1.00 0.00 C ATOM 0 H ILE A 42 0.977 11.924 2.290 1.00 0.00 H new ATOM 0 HA ILE A 42 1.489 9.806 0.303 1.00 0.00 H new ATOM 0 HB ILE A 42 -0.619 11.986 0.042 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -1.109 9.029 0.524 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -1.104 10.214 1.815 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -1.354 10.664 -1.907 1.00 0.00 H new ATOM 0 HG22 ILE A 42 0.329 11.217 -2.082 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -0.011 9.528 -1.637 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -3.386 9.745 1.064 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -2.950 11.436 0.718 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -2.955 10.232 -0.593 1.00 0.00 H new ATOM 541 N HIS A 43 2.856 11.403 -1.078 1.00 0.00 N ATOM 542 CA HIS A 43 3.772 12.303 -1.777 1.00 0.00 C ATOM 543 C HIS A 43 3.110 12.905 -3.017 1.00 0.00 C ATOM 544 O HIS A 43 2.820 12.193 -3.980 1.00 0.00 O ATOM 545 CB HIS A 43 5.052 11.564 -2.181 1.00 0.00 C ATOM 546 CG HIS A 43 5.810 10.991 -1.021 1.00 0.00 C ATOM 547 ND1 HIS A 43 7.036 11.472 -0.609 1.00 0.00 N ATOM 548 CD2 HIS A 43 5.508 9.973 -0.181 1.00 0.00 C ATOM 549 CE1 HIS A 43 7.454 10.775 0.433 1.00 0.00 C ATOM 550 NE2 HIS A 43 6.543 9.860 0.712 1.00 0.00 N ATOM 0 H HIS A 43 2.915 10.428 -1.373 1.00 0.00 H new ATOM 0 HA HIS A 43 4.029 13.111 -1.092 1.00 0.00 H new ATOM 0 HB2 HIS A 43 4.794 10.758 -2.868 1.00 0.00 H new ATOM 0 HB3 HIS A 43 5.701 12.251 -2.724 1.00 0.00 H new ATOM 0 HD2 HIS A 43 4.617 9.363 -0.209 1.00 0.00 H new ATOM 0 HE1 HIS A 43 8.381 10.927 0.965 1.00 0.00 H new ATOM 0 HE2 HIS A 43 6.600 9.179 1.469 1.00 0.00 H new ATOM 559 N PRO A 44 2.862 14.232 -3.009 1.00 0.00 N ATOM 560 CA PRO A 44 2.232 14.931 -4.138 1.00 0.00 C ATOM 561 C PRO A 44 3.074 14.860 -5.409 1.00 0.00 C ATOM 562 O PRO A 44 4.299 14.980 -5.360 1.00 0.00 O ATOM 563 CB PRO A 44 2.121 16.384 -3.656 1.00 0.00 C ATOM 564 CG PRO A 44 2.265 16.317 -2.175 1.00 0.00 C ATOM 565 CD PRO A 44 3.174 15.155 -1.904 1.00 0.00 C ATOM 0 HA PRO A 44 1.274 14.483 -4.401 1.00 0.00 H new ATOM 0 HB2 PRO A 44 2.898 17.006 -4.099 1.00 0.00 H new ATOM 0 HB3 PRO A 44 1.163 16.821 -3.939 1.00 0.00 H new ATOM 0 HG2 PRO A 44 2.685 17.242 -1.781 1.00 0.00 H new ATOM 0 HG3 PRO A 44 1.297 16.176 -1.694 1.00 0.00 H new ATOM 0 HD2 PRO A 44 4.223 15.452 -1.909 1.00 0.00 H new ATOM 0 HD3 PRO A 44 2.975 14.704 -0.932 1.00 0.00 H new ATOM 573 N GLY A 45 2.408 14.658 -6.546 1.00 0.00 N ATOM 574 CA GLY A 45 3.110 14.571 -7.817 1.00 0.00 C ATOM 575 C GLY A 45 3.410 13.140 -8.230 1.00 0.00 C ATOM 576 O GLY A 45 3.470 12.834 -9.422 1.00 0.00 O ATOM 0 H GLY A 45 1.395 14.553 -6.609 1.00 0.00 H new ATOM 0 HA2 GLY A 45 2.510 15.049 -8.591 1.00 0.00 H new ATOM 0 HA3 GLY A 45 4.045 15.128 -7.749 1.00 0.00 H new ATOM 580 N GLN A 46 3.598 12.261 -7.246 1.00 0.00 N ATOM 581 CA GLN A 46 3.891 10.858 -7.514 1.00 0.00 C ATOM 582 C GLN A 46 2.657 10.137 -8.063 1.00 0.00 C ATOM 583 O GLN A 46 1.554 10.687 -8.048 1.00 0.00 O ATOM 584 CB GLN A 46 4.383 10.173 -6.235 1.00 0.00 C ATOM 585 CG GLN A 46 5.898 10.061 -6.150 1.00 0.00 C ATOM 586 CD GLN A 46 6.510 11.080 -5.205 1.00 0.00 C ATOM 587 OE1 GLN A 46 7.121 10.720 -4.199 1.00 0.00 O ATOM 588 NE2 GLN A 46 6.347 12.360 -5.522 1.00 0.00 N ATOM 0 H GLN A 46 3.552 12.499 -6.255 1.00 0.00 H new ATOM 0 HA GLN A 46 4.676 10.807 -8.269 1.00 0.00 H new ATOM 0 HB2 GLN A 46 4.019 10.729 -5.371 1.00 0.00 H new ATOM 0 HB3 GLN A 46 3.949 9.175 -6.177 1.00 0.00 H new ATOM 0 HG2 GLN A 46 6.166 9.058 -5.819 1.00 0.00 H new ATOM 0 HG3 GLN A 46 6.324 10.192 -7.145 1.00 0.00 H new ATOM 0 HE21 GLN A 46 5.833 12.615 -6.366 1.00 0.00 H new ATOM 0 HE22 GLN A 46 6.735 13.088 -4.922 1.00 0.00 H new ATOM 597 N PRO A 47 2.824 8.890 -8.557 1.00 0.00 N ATOM 598 CA PRO A 47 1.716 8.099 -9.110 1.00 0.00 C ATOM 599 C PRO A 47 0.507 8.037 -8.174 1.00 0.00 C ATOM 600 O PRO A 47 -0.633 7.942 -8.631 1.00 0.00 O ATOM 601 CB PRO A 47 2.314 6.695 -9.299 1.00 0.00 C ATOM 602 CG PRO A 47 3.645 6.718 -8.623 1.00 0.00 C ATOM 603 CD PRO A 47 4.094 8.151 -8.623 1.00 0.00 C ATOM 0 HA PRO A 47 1.340 8.542 -10.032 1.00 0.00 H new ATOM 0 HB2 PRO A 47 1.668 5.934 -8.862 1.00 0.00 H new ATOM 0 HB3 PRO A 47 2.418 6.455 -10.357 1.00 0.00 H new ATOM 0 HG2 PRO A 47 3.571 6.334 -7.606 1.00 0.00 H new ATOM 0 HG3 PRO A 47 4.360 6.087 -9.151 1.00 0.00 H new ATOM 0 HD2 PRO A 47 4.736 8.374 -7.771 1.00 0.00 H new ATOM 0 HD3 PRO A 47 4.659 8.398 -9.522 1.00 0.00 H new ATOM 611 N ALA A 48 0.761 8.097 -6.864 1.00 0.00 N ATOM 612 CA ALA A 48 -0.312 8.055 -5.874 1.00 0.00 C ATOM 613 C ALA A 48 -1.265 9.236 -6.049 1.00 0.00 C ATOM 614 O ALA A 48 -2.486 9.066 -6.043 1.00 0.00 O ATOM 615 CB ALA A 48 0.267 8.048 -4.467 1.00 0.00 C ATOM 0 H ALA A 48 1.698 8.175 -6.468 1.00 0.00 H new ATOM 0 HA ALA A 48 -0.878 7.136 -6.027 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -0.544 8.017 -3.740 1.00 0.00 H new ATOM 0 HB2 ALA A 48 0.903 7.172 -4.340 1.00 0.00 H new ATOM 0 HB3 ALA A 48 0.858 8.951 -4.312 1.00 0.00 H new ATOM 621 N ASP A 49 -0.698 10.430 -6.216 1.00 0.00 N ATOM 622 CA ASP A 49 -1.495 11.641 -6.404 1.00 0.00 C ATOM 623 C ASP A 49 -2.181 11.632 -7.770 1.00 0.00 C ATOM 624 O ASP A 49 -3.331 12.052 -7.899 1.00 0.00 O ATOM 625 CB ASP A 49 -0.613 12.885 -6.268 1.00 0.00 C ATOM 626 CG ASP A 49 -1.030 13.768 -5.107 1.00 0.00 C ATOM 627 OD1 ASP A 49 -0.868 13.337 -3.945 1.00 0.00 O ATOM 628 OD2 ASP A 49 -1.511 14.892 -5.359 1.00 0.00 O ATOM 0 H ASP A 49 0.310 10.584 -6.225 1.00 0.00 H new ATOM 0 HA ASP A 49 -2.263 11.666 -5.631 1.00 0.00 H new ATOM 0 HB2 ASP A 49 0.424 12.578 -6.133 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -0.657 13.461 -7.192 1.00 0.00 H new ATOM 633 N ARG A 50 -1.465 11.147 -8.787 1.00 0.00 N ATOM 634 CA ARG A 50 -2.002 11.076 -10.147 1.00 0.00 C ATOM 635 C ARG A 50 -3.284 10.240 -10.201 1.00 0.00 C ATOM 636 O ARG A 50 -4.179 10.521 -10.997 1.00 0.00 O ATOM 637 CB ARG A 50 -0.961 10.484 -11.097 1.00 0.00 C ATOM 638 CG ARG A 50 -0.001 11.513 -11.673 1.00 0.00 C ATOM 639 CD ARG A 50 1.218 10.851 -12.298 1.00 0.00 C ATOM 640 NE ARG A 50 1.745 11.619 -13.426 1.00 0.00 N ATOM 641 CZ ARG A 50 2.931 11.391 -13.998 1.00 0.00 C ATOM 642 NH1 ARG A 50 3.719 10.416 -13.555 1.00 0.00 N ATOM 643 NH2 ARG A 50 3.329 12.142 -15.020 1.00 0.00 N ATOM 0 H ARG A 50 -0.511 10.797 -8.694 1.00 0.00 H new ATOM 0 HA ARG A 50 -2.244 12.092 -10.460 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -0.388 9.724 -10.566 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -1.475 9.981 -11.916 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -0.516 12.112 -12.424 1.00 0.00 H new ATOM 0 HG3 ARG A 50 0.318 12.195 -10.885 1.00 0.00 H new ATOM 0 HD2 ARG A 50 1.996 10.738 -11.543 1.00 0.00 H new ATOM 0 HD3 ARG A 50 0.953 9.849 -12.635 1.00 0.00 H new ATOM 0 HE ARG A 50 1.172 12.376 -13.799 1.00 0.00 H new ATOM 0 HH11 ARG A 50 3.420 9.835 -12.772 1.00 0.00 H new ATOM 0 HH12 ARG A 50 4.623 10.250 -13.998 1.00 0.00 H new ATOM 0 HH21 ARG A 50 2.729 12.891 -15.366 1.00 0.00 H new ATOM 0 HH22 ARG A 50 4.234 11.969 -15.458 1.00 0.00 H new ATOM 657 N CYS A 51 -3.366 9.211 -9.352 1.00 0.00 N ATOM 658 CA CYS A 51 -4.542 8.342 -9.313 1.00 0.00 C ATOM 659 C CYS A 51 -5.758 9.066 -8.728 1.00 0.00 C ATOM 660 O CYS A 51 -6.898 8.735 -9.056 1.00 0.00 O ATOM 661 CB CYS A 51 -4.243 7.087 -8.486 1.00 0.00 C ATOM 662 SG CYS A 51 -4.117 5.573 -9.465 1.00 0.00 S ATOM 0 H CYS A 51 -2.635 8.962 -8.686 1.00 0.00 H new ATOM 0 HA CYS A 51 -4.777 8.058 -10.339 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -3.309 7.236 -7.944 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -5.028 6.961 -7.740 1.00 0.00 H new ATOM 0 HG CYS A 51 -3.529 4.650 -8.763 1.00 0.00 H new ATOM 668 N GLY A 52 -5.512 10.048 -7.856 1.00 0.00 N ATOM 669 CA GLY A 52 -6.601 10.791 -7.237 1.00 0.00 C ATOM 670 C GLY A 52 -7.471 9.924 -6.333 1.00 0.00 C ATOM 671 O GLY A 52 -8.583 10.317 -5.974 1.00 0.00 O ATOM 0 H GLY A 52 -4.578 10.341 -7.569 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -6.188 11.614 -6.654 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -7.222 11.232 -8.016 1.00 0.00 H new ATOM 675 N GLY A 53 -6.965 8.741 -5.968 1.00 0.00 N ATOM 676 CA GLY A 53 -7.710 7.830 -5.111 1.00 0.00 C ATOM 677 C GLY A 53 -7.010 7.560 -3.790 1.00 0.00 C ATOM 678 O GLY A 53 -7.664 7.396 -2.760 1.00 0.00 O ATOM 0 H GLY A 53 -6.048 8.399 -6.254 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -8.697 8.248 -4.915 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -7.862 6.887 -5.636 1.00 0.00 H new ATOM 682 N LEU A 54 -5.677 7.514 -3.820 1.00 0.00 N ATOM 683 CA LEU A 54 -4.893 7.264 -2.614 1.00 0.00 C ATOM 684 C LEU A 54 -5.106 8.382 -1.596 1.00 0.00 C ATOM 685 O LEU A 54 -4.511 9.456 -1.701 1.00 0.00 O ATOM 686 CB LEU A 54 -3.405 7.137 -2.960 1.00 0.00 C ATOM 687 CG LEU A 54 -2.647 6.065 -2.174 1.00 0.00 C ATOM 688 CD1 LEU A 54 -1.599 5.398 -3.055 1.00 0.00 C ATOM 689 CD2 LEU A 54 -2.007 6.673 -0.934 1.00 0.00 C ATOM 0 H LEU A 54 -5.121 7.646 -4.665 1.00 0.00 H new ATOM 0 HA LEU A 54 -5.229 6.325 -2.174 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -3.312 6.920 -4.024 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -2.924 8.100 -2.788 1.00 0.00 H new ATOM 0 HG LEU A 54 -3.355 5.301 -1.854 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -1.070 4.639 -2.479 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -2.087 4.931 -3.910 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -0.889 6.147 -3.407 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -1.471 5.899 -0.384 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -1.309 7.456 -1.231 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -2.782 7.100 -0.297 1.00 0.00 H new ATOM 701 N HIS A 55 -5.969 8.120 -0.616 1.00 0.00 N ATOM 702 CA HIS A 55 -6.278 9.098 0.423 1.00 0.00 C ATOM 703 C HIS A 55 -5.712 8.661 1.772 1.00 0.00 C ATOM 704 O HIS A 55 -5.482 7.473 2.005 1.00 0.00 O ATOM 705 CB HIS A 55 -7.797 9.304 0.529 1.00 0.00 C ATOM 706 CG HIS A 55 -8.566 8.038 0.782 1.00 0.00 C ATOM 707 ND1 HIS A 55 -8.418 7.285 1.930 1.00 0.00 N ATOM 708 CD2 HIS A 55 -9.475 7.380 0.020 1.00 0.00 C ATOM 709 CE1 HIS A 55 -9.197 6.222 1.860 1.00 0.00 C ATOM 710 NE2 HIS A 55 -9.848 6.257 0.714 1.00 0.00 N ATOM 0 H HIS A 55 -6.468 7.235 -0.521 1.00 0.00 H new ATOM 0 HA HIS A 55 -5.811 10.043 0.146 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -8.003 10.010 1.334 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -8.158 9.759 -0.394 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -9.837 7.683 -0.951 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -9.286 5.454 2.614 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -10.521 5.561 0.395 1.00 0.00 H new ATOM 719 N VAL A 56 -5.497 9.631 2.659 1.00 0.00 N ATOM 720 CA VAL A 56 -4.966 9.350 3.991 1.00 0.00 C ATOM 721 C VAL A 56 -5.943 8.488 4.793 1.00 0.00 C ATOM 722 O VAL A 56 -7.141 8.775 4.838 1.00 0.00 O ATOM 723 CB VAL A 56 -4.682 10.648 4.779 1.00 0.00 C ATOM 724 CG1 VAL A 56 -4.006 10.336 6.108 1.00 0.00 C ATOM 725 CG2 VAL A 56 -3.834 11.608 3.954 1.00 0.00 C ATOM 0 H VAL A 56 -5.682 10.618 2.479 1.00 0.00 H new ATOM 0 HA VAL A 56 -4.028 8.812 3.850 1.00 0.00 H new ATOM 0 HB VAL A 56 -5.636 11.133 4.988 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -3.815 11.265 6.646 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -4.656 9.697 6.706 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -3.062 9.823 5.924 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -3.647 12.515 4.529 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -2.885 11.133 3.706 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -4.363 11.864 3.036 1.00 0.00 H new ATOM 735 N GLY A 57 -5.422 7.436 5.421 1.00 0.00 N ATOM 736 CA GLY A 57 -6.259 6.548 6.213 1.00 0.00 C ATOM 737 C GLY A 57 -6.710 5.324 5.437 1.00 0.00 C ATOM 738 O GLY A 57 -7.888 4.964 5.467 1.00 0.00 O ATOM 0 H GLY A 57 -4.434 7.182 5.396 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -5.709 6.230 7.098 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -7.135 7.095 6.562 1.00 0.00 H new ATOM 742 N ASP A 58 -5.769 4.680 4.745 1.00 0.00 N ATOM 743 CA ASP A 58 -6.073 3.485 3.965 1.00 0.00 C ATOM 744 C ASP A 58 -5.400 2.259 4.577 1.00 0.00 C ATOM 745 O ASP A 58 -4.174 2.205 4.672 1.00 0.00 O ATOM 746 CB ASP A 58 -5.624 3.669 2.512 1.00 0.00 C ATOM 747 CG ASP A 58 -6.773 4.038 1.590 1.00 0.00 C ATOM 748 OD1 ASP A 58 -7.864 3.442 1.730 1.00 0.00 O ATOM 749 OD2 ASP A 58 -6.583 4.924 0.730 1.00 0.00 O ATOM 0 H ASP A 58 -4.791 4.968 4.710 1.00 0.00 H new ATOM 0 HA ASP A 58 -7.152 3.329 3.980 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -4.862 4.447 2.466 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -5.161 2.748 2.159 1.00 0.00 H new ATOM 754 N ALA A 59 -6.202 1.278 4.989 1.00 0.00 N ATOM 755 CA ALA A 59 -5.667 0.062 5.597 1.00 0.00 C ATOM 756 C ALA A 59 -5.403 -1.017 4.548 1.00 0.00 C ATOM 757 O ALA A 59 -6.301 -1.408 3.803 1.00 0.00 O ATOM 758 CB ALA A 59 -6.615 -0.455 6.670 1.00 0.00 C ATOM 0 H ALA A 59 -7.219 1.301 4.913 1.00 0.00 H new ATOM 0 HA ALA A 59 -4.713 0.312 6.062 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -6.203 -1.361 7.114 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -6.738 0.304 7.443 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -7.584 -0.678 6.223 1.00 0.00 H new ATOM 764 N ILE A 60 -4.155 -1.488 4.501 1.00 0.00 N ATOM 765 CA ILE A 60 -3.747 -2.519 3.546 1.00 0.00 C ATOM 766 C ILE A 60 -4.231 -3.905 3.967 1.00 0.00 C ATOM 767 O ILE A 60 -4.087 -4.300 5.125 1.00 0.00 O ATOM 768 CB ILE A 60 -2.210 -2.565 3.382 1.00 0.00 C ATOM 769 CG1 ILE A 60 -1.649 -1.165 3.120 1.00 0.00 C ATOM 770 CG2 ILE A 60 -1.822 -3.512 2.254 1.00 0.00 C ATOM 771 CD1 ILE A 60 -0.376 -0.870 3.885 1.00 0.00 C ATOM 0 H ILE A 60 -3.407 -1.170 5.117 1.00 0.00 H new ATOM 0 HA ILE A 60 -4.207 -2.250 2.595 1.00 0.00 H new ATOM 0 HB ILE A 60 -1.780 -2.937 4.312 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -1.456 -1.054 2.053 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -2.403 -0.425 3.386 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -0.737 -3.532 2.153 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -2.184 -4.515 2.480 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -2.267 -3.168 1.321 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -0.036 0.139 3.651 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -0.568 -0.949 4.955 1.00 0.00 H new ATOM 0 HD13 ILE A 60 0.394 -1.587 3.601 1.00 0.00 H new ATOM 783 N LEU A 61 -4.788 -4.643 3.007 1.00 0.00 N ATOM 784 CA LEU A 61 -5.279 -5.997 3.255 1.00 0.00 C ATOM 785 C LEU A 61 -4.666 -6.983 2.256 1.00 0.00 C ATOM 786 O LEU A 61 -4.142 -8.029 2.648 1.00 0.00 O ATOM 787 CB LEU A 61 -6.809 -6.040 3.173 1.00 0.00 C ATOM 788 CG LEU A 61 -7.540 -5.500 4.408 1.00 0.00 C ATOM 789 CD1 LEU A 61 -7.849 -4.019 4.248 1.00 0.00 C ATOM 790 CD2 LEU A 61 -8.819 -6.287 4.663 1.00 0.00 C ATOM 0 H LEU A 61 -4.910 -4.323 2.046 1.00 0.00 H new ATOM 0 HA LEU A 61 -4.978 -6.290 4.261 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -7.127 -5.467 2.302 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -7.120 -7.071 3.007 1.00 0.00 H new ATOM 0 HG LEU A 61 -6.884 -5.621 5.270 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -8.368 -3.658 5.136 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -6.919 -3.465 4.120 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -8.482 -3.872 3.373 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -9.322 -5.888 5.544 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -9.477 -6.201 3.799 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -8.574 -7.336 4.830 1.00 0.00 H new ATOM 802 N ALA A 62 -4.731 -6.640 0.965 1.00 0.00 N ATOM 803 CA ALA A 62 -4.178 -7.490 -0.088 1.00 0.00 C ATOM 804 C ALA A 62 -3.373 -6.672 -1.097 1.00 0.00 C ATOM 805 O ALA A 62 -3.711 -5.522 -1.391 1.00 0.00 O ATOM 806 CB ALA A 62 -5.293 -8.252 -0.791 1.00 0.00 C ATOM 0 H ALA A 62 -5.162 -5.779 0.627 1.00 0.00 H new ATOM 0 HA ALA A 62 -3.500 -8.205 0.378 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -4.867 -8.881 -1.573 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -5.818 -8.877 -0.069 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -5.993 -7.545 -1.236 1.00 0.00 H new ATOM 812 N VAL A 63 -2.306 -7.274 -1.624 1.00 0.00 N ATOM 813 CA VAL A 63 -1.447 -6.611 -2.603 1.00 0.00 C ATOM 814 C VAL A 63 -1.034 -7.587 -3.701 1.00 0.00 C ATOM 815 O VAL A 63 -0.355 -8.581 -3.435 1.00 0.00 O ATOM 816 CB VAL A 63 -0.179 -6.025 -1.943 1.00 0.00 C ATOM 817 CG1 VAL A 63 0.616 -5.199 -2.946 1.00 0.00 C ATOM 818 CG2 VAL A 63 -0.546 -5.188 -0.725 1.00 0.00 C ATOM 0 H VAL A 63 -2.016 -8.223 -1.387 1.00 0.00 H new ATOM 0 HA VAL A 63 -2.024 -5.793 -3.035 1.00 0.00 H new ATOM 0 HB VAL A 63 0.448 -6.853 -1.611 1.00 0.00 H new ATOM 0 HG11 VAL A 63 1.505 -4.795 -2.461 1.00 0.00 H new ATOM 0 HG12 VAL A 63 0.914 -5.831 -3.783 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -0.001 -4.379 -3.313 1.00 0.00 H new ATOM 0 HG21 VAL A 63 0.361 -4.784 -0.274 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -1.196 -4.368 -1.030 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -1.066 -5.812 0.002 1.00 0.00 H new ATOM 828 N ASN A 64 -1.456 -7.299 -4.934 1.00 0.00 N ATOM 829 CA ASN A 64 -1.144 -8.152 -6.084 1.00 0.00 C ATOM 830 C ASN A 64 -1.655 -9.581 -5.863 1.00 0.00 C ATOM 831 O ASN A 64 -1.038 -10.550 -6.312 1.00 0.00 O ATOM 832 CB ASN A 64 0.366 -8.161 -6.356 1.00 0.00 C ATOM 833 CG ASN A 64 0.684 -8.115 -7.842 1.00 0.00 C ATOM 834 OD1 ASN A 64 0.387 -9.056 -8.579 1.00 0.00 O ATOM 835 ND2 ASN A 64 1.292 -7.020 -8.292 1.00 0.00 N ATOM 0 H ASN A 64 -2.017 -6.478 -5.163 1.00 0.00 H new ATOM 0 HA ASN A 64 -1.652 -7.740 -6.956 1.00 0.00 H new ATOM 0 HB2 ASN A 64 0.827 -7.306 -5.861 1.00 0.00 H new ATOM 0 HB3 ASN A 64 0.806 -9.058 -5.920 1.00 0.00 H new ATOM 0 HD21 ASN A 64 1.529 -6.938 -9.281 1.00 0.00 H new ATOM 0 HD22 ASN A 64 1.521 -6.263 -7.648 1.00 0.00 H new ATOM 842 N GLY A 65 -2.788 -9.705 -5.165 1.00 0.00 N ATOM 843 CA GLY A 65 -3.362 -11.015 -4.896 1.00 0.00 C ATOM 844 C GLY A 65 -2.816 -11.666 -3.628 1.00 0.00 C ATOM 845 O GLY A 65 -3.403 -12.625 -3.122 1.00 0.00 O ATOM 0 H GLY A 65 -3.316 -8.921 -4.782 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -4.444 -10.919 -4.809 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -3.167 -11.670 -5.745 1.00 0.00 H new ATOM 849 N VAL A 66 -1.699 -11.149 -3.110 1.00 0.00 N ATOM 850 CA VAL A 66 -1.091 -11.692 -1.897 1.00 0.00 C ATOM 851 C VAL A 66 -1.650 -11.003 -0.656 1.00 0.00 C ATOM 852 O VAL A 66 -1.669 -9.773 -0.573 1.00 0.00 O ATOM 853 CB VAL A 66 0.446 -11.539 -1.915 1.00 0.00 C ATOM 854 CG1 VAL A 66 1.078 -12.273 -0.740 1.00 0.00 C ATOM 855 CG2 VAL A 66 1.023 -12.040 -3.233 1.00 0.00 C ATOM 0 H VAL A 66 -1.199 -10.356 -3.512 1.00 0.00 H new ATOM 0 HA VAL A 66 -1.336 -12.754 -1.865 1.00 0.00 H new ATOM 0 HB VAL A 66 0.680 -10.479 -1.820 1.00 0.00 H new ATOM 0 HG11 VAL A 66 2.161 -12.151 -0.774 1.00 0.00 H new ATOM 0 HG12 VAL A 66 0.696 -11.862 0.194 1.00 0.00 H new ATOM 0 HG13 VAL A 66 0.831 -13.333 -0.798 1.00 0.00 H new ATOM 0 HG21 VAL A 66 2.107 -11.923 -3.224 1.00 0.00 H new ATOM 0 HG22 VAL A 66 0.773 -13.093 -3.363 1.00 0.00 H new ATOM 0 HG23 VAL A 66 0.603 -11.463 -4.057 1.00 0.00 H new ATOM 865 N ASN A 67 -2.103 -11.805 0.308 1.00 0.00 N ATOM 866 CA ASN A 67 -2.661 -11.275 1.551 1.00 0.00 C ATOM 867 C ASN A 67 -1.550 -10.890 2.520 1.00 0.00 C ATOM 868 O ASN A 67 -0.538 -11.584 2.626 1.00 0.00 O ATOM 869 CB ASN A 67 -3.601 -12.294 2.213 1.00 0.00 C ATOM 870 CG ASN A 67 -3.000 -13.688 2.296 1.00 0.00 C ATOM 871 OD1 ASN A 67 -3.275 -14.543 1.455 1.00 0.00 O ATOM 872 ND2 ASN A 67 -2.174 -13.923 3.311 1.00 0.00 N ATOM 0 H ASN A 67 -2.094 -12.823 0.251 1.00 0.00 H new ATOM 0 HA ASN A 67 -3.236 -10.384 1.301 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -3.851 -11.951 3.217 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -4.534 -12.339 1.651 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -1.741 -14.841 3.414 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -1.973 -13.185 3.986 1.00 0.00 H new ATOM 879 N LEU A 68 -1.744 -9.781 3.228 1.00 0.00 N ATOM 880 CA LEU A 68 -0.755 -9.305 4.192 1.00 0.00 C ATOM 881 C LEU A 68 -1.315 -9.297 5.619 1.00 0.00 C ATOM 882 O LEU A 68 -0.795 -8.601 6.493 1.00 0.00 O ATOM 883 CB LEU A 68 -0.273 -7.907 3.795 1.00 0.00 C ATOM 884 CG LEU A 68 0.873 -7.889 2.778 1.00 0.00 C ATOM 885 CD1 LEU A 68 0.331 -7.784 1.359 1.00 0.00 C ATOM 886 CD2 LEU A 68 1.832 -6.745 3.071 1.00 0.00 C ATOM 0 H LEU A 68 -2.576 -9.195 3.153 1.00 0.00 H new ATOM 0 HA LEU A 68 0.090 -9.993 4.178 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -1.115 -7.351 3.383 1.00 0.00 H new ATOM 0 HB3 LEU A 68 0.048 -7.380 4.693 1.00 0.00 H new ATOM 0 HG LEU A 68 1.422 -8.827 2.866 1.00 0.00 H new ATOM 0 HD11 LEU A 68 1.161 -7.773 0.652 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -0.311 -8.640 1.151 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -0.245 -6.864 1.257 1.00 0.00 H new ATOM 0 HD21 LEU A 68 2.639 -6.750 2.338 1.00 0.00 H new ATOM 0 HD22 LEU A 68 1.296 -5.798 3.015 1.00 0.00 H new ATOM 0 HD23 LEU A 68 2.250 -6.867 4.070 1.00 0.00 H new ATOM 898 N ARG A 69 -2.369 -10.085 5.854 1.00 0.00 N ATOM 899 CA ARG A 69 -2.984 -10.173 7.178 1.00 0.00 C ATOM 900 C ARG A 69 -2.085 -10.925 8.162 1.00 0.00 C ATOM 901 O ARG A 69 -2.069 -10.615 9.353 1.00 0.00 O ATOM 902 CB ARG A 69 -4.349 -10.865 7.091 1.00 0.00 C ATOM 903 CG ARG A 69 -5.459 -10.125 7.824 1.00 0.00 C ATOM 904 CD ARG A 69 -5.894 -8.877 7.069 1.00 0.00 C ATOM 905 NE ARG A 69 -6.562 -9.201 5.806 1.00 0.00 N ATOM 906 CZ ARG A 69 -7.829 -9.617 5.711 1.00 0.00 C ATOM 907 NH1 ARG A 69 -8.577 -9.762 6.804 1.00 0.00 N ATOM 908 NH2 ARG A 69 -8.352 -9.886 4.518 1.00 0.00 N ATOM 0 H ARG A 69 -2.812 -10.669 5.145 1.00 0.00 H new ATOM 0 HA ARG A 69 -3.119 -9.156 7.546 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -4.626 -10.971 6.042 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -4.263 -11.871 7.501 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -6.314 -10.788 7.955 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -5.115 -9.847 8.820 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -6.568 -8.292 7.695 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -5.023 -8.253 6.868 1.00 0.00 H new ATOM 0 HE ARG A 69 -6.026 -9.103 4.944 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -8.184 -9.555 7.722 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -9.543 -10.080 6.723 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -7.786 -9.775 3.676 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -9.319 -10.203 4.445 1.00 0.00 H new ATOM 922 N ASP A 70 -1.349 -11.923 7.664 1.00 0.00 N ATOM 923 CA ASP A 70 -0.460 -12.724 8.512 1.00 0.00 C ATOM 924 C ASP A 70 1.017 -12.341 8.334 1.00 0.00 C ATOM 925 O ASP A 70 1.902 -13.017 8.863 1.00 0.00 O ATOM 926 CB ASP A 70 -0.652 -14.220 8.226 1.00 0.00 C ATOM 927 CG ASP A 70 -0.275 -14.608 6.805 1.00 0.00 C ATOM 928 OD1 ASP A 70 -0.877 -14.059 5.858 1.00 0.00 O ATOM 929 OD2 ASP A 70 0.618 -15.463 6.642 1.00 0.00 O ATOM 0 H ASP A 70 -1.351 -12.195 6.681 1.00 0.00 H new ATOM 0 HA ASP A 70 -0.731 -12.514 9.547 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -0.049 -14.798 8.926 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -1.693 -14.488 8.405 1.00 0.00 H new ATOM 934 N THR A 71 1.282 -11.256 7.601 1.00 0.00 N ATOM 935 CA THR A 71 2.654 -10.800 7.378 1.00 0.00 C ATOM 936 C THR A 71 3.034 -9.707 8.380 1.00 0.00 C ATOM 937 O THR A 71 2.227 -9.325 9.229 1.00 0.00 O ATOM 938 CB THR A 71 2.820 -10.284 5.942 1.00 0.00 C ATOM 939 OG1 THR A 71 1.879 -9.263 5.659 1.00 0.00 O ATOM 940 CG2 THR A 71 2.655 -11.363 4.893 1.00 0.00 C ATOM 0 H THR A 71 0.568 -10.681 7.155 1.00 0.00 H new ATOM 0 HA THR A 71 3.322 -11.649 7.526 1.00 0.00 H new ATOM 0 HB THR A 71 3.840 -9.904 5.892 1.00 0.00 H new ATOM 0 HG1 THR A 71 2.312 -8.388 5.740 1.00 0.00 H new ATOM 0 HG21 THR A 71 2.785 -10.929 3.901 1.00 0.00 H new ATOM 0 HG22 THR A 71 3.403 -12.140 5.050 1.00 0.00 H new ATOM 0 HG23 THR A 71 1.658 -11.797 4.971 1.00 0.00 H new ATOM 948 N LYS A 72 4.268 -9.208 8.278 1.00 0.00 N ATOM 949 CA LYS A 72 4.758 -8.161 9.175 1.00 0.00 C ATOM 950 C LYS A 72 5.020 -6.864 8.410 1.00 0.00 C ATOM 951 O LYS A 72 5.156 -6.875 7.186 1.00 0.00 O ATOM 952 CB LYS A 72 6.040 -8.617 9.876 1.00 0.00 C ATOM 953 CG LYS A 72 5.815 -9.175 11.273 1.00 0.00 C ATOM 954 CD LYS A 72 5.780 -10.697 11.271 1.00 0.00 C ATOM 955 CE LYS A 72 5.960 -11.265 12.673 1.00 0.00 C ATOM 956 NZ LYS A 72 7.227 -10.802 13.310 1.00 0.00 N ATOM 0 H LYS A 72 4.947 -9.514 7.581 1.00 0.00 H new ATOM 0 HA LYS A 72 3.988 -7.973 9.924 1.00 0.00 H new ATOM 0 HB2 LYS A 72 6.525 -9.379 9.265 1.00 0.00 H new ATOM 0 HB3 LYS A 72 6.727 -7.773 9.939 1.00 0.00 H new ATOM 0 HG2 LYS A 72 6.609 -8.830 11.935 1.00 0.00 H new ATOM 0 HG3 LYS A 72 4.877 -8.790 11.672 1.00 0.00 H new ATOM 0 HD2 LYS A 72 4.831 -11.039 10.859 1.00 0.00 H new ATOM 0 HD3 LYS A 72 6.566 -11.079 10.620 1.00 0.00 H new ATOM 0 HE2 LYS A 72 5.114 -10.970 13.294 1.00 0.00 H new ATOM 0 HE3 LYS A 72 5.956 -12.354 12.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 7.437 -11.396 14.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 8.006 -10.875 12.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 7.122 -9.812 13.612 1.00 0.00 H new ATOM 970 N HIS A 73 5.091 -5.749 9.140 1.00 0.00 N ATOM 971 CA HIS A 73 5.340 -4.440 8.532 1.00 0.00 C ATOM 972 C HIS A 73 6.608 -4.466 7.676 1.00 0.00 C ATOM 973 O HIS A 73 6.586 -4.061 6.513 1.00 0.00 O ATOM 974 CB HIS A 73 5.459 -3.365 9.618 1.00 0.00 C ATOM 975 CG HIS A 73 5.675 -1.981 9.084 1.00 0.00 C ATOM 976 ND1 HIS A 73 6.662 -1.142 9.555 1.00 0.00 N ATOM 977 CD2 HIS A 73 5.021 -1.287 8.121 1.00 0.00 C ATOM 978 CE1 HIS A 73 6.606 0.008 8.907 1.00 0.00 C ATOM 979 NE2 HIS A 73 5.619 -0.055 8.032 1.00 0.00 N ATOM 0 H HIS A 73 4.980 -5.726 10.154 1.00 0.00 H new ATOM 0 HA HIS A 73 4.496 -4.200 7.885 1.00 0.00 H new ATOM 0 HB2 HIS A 73 4.553 -3.373 10.223 1.00 0.00 H new ATOM 0 HB3 HIS A 73 6.286 -3.621 10.280 1.00 0.00 H new ATOM 0 HD2 HIS A 73 4.185 -1.638 7.533 1.00 0.00 H new ATOM 0 HE1 HIS A 73 7.257 0.855 9.066 1.00 0.00 H new ATOM 0 HE2 HIS A 73 5.345 0.692 7.393 1.00 0.00 H new ATOM 988 N LYS A 74 7.707 -4.953 8.256 1.00 0.00 N ATOM 989 CA LYS A 74 8.981 -5.040 7.542 1.00 0.00 C ATOM 990 C LYS A 74 8.850 -5.940 6.313 1.00 0.00 C ATOM 991 O LYS A 74 9.364 -5.619 5.241 1.00 0.00 O ATOM 992 CB LYS A 74 10.077 -5.574 8.470 1.00 0.00 C ATOM 993 CG LYS A 74 11.478 -5.485 7.882 1.00 0.00 C ATOM 994 CD LYS A 74 12.528 -5.978 8.865 1.00 0.00 C ATOM 995 CE LYS A 74 13.070 -4.843 9.720 1.00 0.00 C ATOM 996 NZ LYS A 74 14.014 -5.331 10.763 1.00 0.00 N ATOM 0 H LYS A 74 7.740 -5.293 9.217 1.00 0.00 H new ATOM 0 HA LYS A 74 9.256 -4.039 7.211 1.00 0.00 H new ATOM 0 HB2 LYS A 74 10.050 -5.017 9.406 1.00 0.00 H new ATOM 0 HB3 LYS A 74 9.860 -6.614 8.712 1.00 0.00 H new ATOM 0 HG2 LYS A 74 11.528 -6.076 6.968 1.00 0.00 H new ATOM 0 HG3 LYS A 74 11.693 -4.453 7.606 1.00 0.00 H new ATOM 0 HD2 LYS A 74 12.094 -6.744 9.508 1.00 0.00 H new ATOM 0 HD3 LYS A 74 13.347 -6.446 8.319 1.00 0.00 H new ATOM 0 HE2 LYS A 74 13.577 -4.119 9.082 1.00 0.00 H new ATOM 0 HE3 LYS A 74 12.241 -4.321 10.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 14.359 -4.525 11.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 13.524 -6.002 11.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 14.819 -5.807 10.308 1.00 0.00 H new ATOM 1010 N GLU A 75 8.150 -7.062 6.478 1.00 0.00 N ATOM 1011 CA GLU A 75 7.939 -8.008 5.385 1.00 0.00 C ATOM 1012 C GLU A 75 7.134 -7.367 4.255 1.00 0.00 C ATOM 1013 O GLU A 75 7.400 -7.613 3.079 1.00 0.00 O ATOM 1014 CB GLU A 75 7.218 -9.259 5.898 1.00 0.00 C ATOM 1015 CG GLU A 75 8.159 -10.349 6.387 1.00 0.00 C ATOM 1016 CD GLU A 75 8.870 -9.972 7.673 1.00 0.00 C ATOM 1017 OE1 GLU A 75 9.871 -9.227 7.602 1.00 0.00 O ATOM 1018 OE2 GLU A 75 8.426 -10.420 8.749 1.00 0.00 O ATOM 0 H GLU A 75 7.719 -7.338 7.360 1.00 0.00 H new ATOM 0 HA GLU A 75 8.914 -8.295 4.992 1.00 0.00 H new ATOM 0 HB2 GLU A 75 6.551 -8.975 6.712 1.00 0.00 H new ATOM 0 HB3 GLU A 75 6.594 -9.661 5.100 1.00 0.00 H new ATOM 0 HG2 GLU A 75 7.594 -11.268 6.544 1.00 0.00 H new ATOM 0 HG3 GLU A 75 8.899 -10.558 5.615 1.00 0.00 H new ATOM 1025 N ALA A 76 6.153 -6.540 4.620 1.00 0.00 N ATOM 1026 CA ALA A 76 5.313 -5.865 3.636 1.00 0.00 C ATOM 1027 C ALA A 76 6.132 -4.911 2.771 1.00 0.00 C ATOM 1028 O ALA A 76 5.895 -4.798 1.569 1.00 0.00 O ATOM 1029 CB ALA A 76 4.187 -5.109 4.328 1.00 0.00 C ATOM 0 H ALA A 76 5.923 -6.323 5.590 1.00 0.00 H new ATOM 0 HA ALA A 76 4.882 -6.627 2.986 1.00 0.00 H new ATOM 0 HB1 ALA A 76 3.570 -4.611 3.580 1.00 0.00 H new ATOM 0 HB2 ALA A 76 3.575 -5.809 4.897 1.00 0.00 H new ATOM 0 HB3 ALA A 76 4.610 -4.365 5.003 1.00 0.00 H new ATOM 1035 N VAL A 77 7.102 -4.235 3.388 1.00 0.00 N ATOM 1036 CA VAL A 77 7.960 -3.297 2.667 1.00 0.00 C ATOM 1037 C VAL A 77 8.753 -4.017 1.581 1.00 0.00 C ATOM 1038 O VAL A 77 8.851 -3.539 0.450 1.00 0.00 O ATOM 1039 CB VAL A 77 8.941 -2.574 3.618 1.00 0.00 C ATOM 1040 CG1 VAL A 77 9.695 -1.473 2.882 1.00 0.00 C ATOM 1041 CG2 VAL A 77 8.200 -2.010 4.824 1.00 0.00 C ATOM 0 H VAL A 77 7.312 -4.320 4.383 1.00 0.00 H new ATOM 0 HA VAL A 77 7.307 -2.553 2.211 1.00 0.00 H new ATOM 0 HB VAL A 77 9.670 -3.301 3.975 1.00 0.00 H new ATOM 0 HG11 VAL A 77 10.380 -0.978 3.571 1.00 0.00 H new ATOM 0 HG12 VAL A 77 10.261 -1.908 2.058 1.00 0.00 H new ATOM 0 HG13 VAL A 77 8.985 -0.745 2.490 1.00 0.00 H new ATOM 0 HG21 VAL A 77 8.907 -1.505 5.482 1.00 0.00 H new ATOM 0 HG22 VAL A 77 7.446 -1.299 4.488 1.00 0.00 H new ATOM 0 HG23 VAL A 77 7.716 -2.822 5.366 1.00 0.00 H new ATOM 1051 N THR A 78 9.307 -5.177 1.930 1.00 0.00 N ATOM 1052 CA THR A 78 10.083 -5.969 0.982 1.00 0.00 C ATOM 1053 C THR A 78 9.212 -6.419 -0.190 1.00 0.00 C ATOM 1054 O THR A 78 9.620 -6.316 -1.347 1.00 0.00 O ATOM 1055 CB THR A 78 10.697 -7.187 1.679 1.00 0.00 C ATOM 1056 OG1 THR A 78 11.151 -6.849 2.978 1.00 0.00 O ATOM 1057 CG2 THR A 78 11.868 -7.780 0.924 1.00 0.00 C ATOM 0 H THR A 78 9.232 -5.587 2.861 1.00 0.00 H new ATOM 0 HA THR A 78 10.886 -5.342 0.595 1.00 0.00 H new ATOM 0 HB THR A 78 9.898 -7.927 1.722 1.00 0.00 H new ATOM 0 HG1 THR A 78 11.538 -7.641 3.406 1.00 0.00 H new ATOM 0 HG21 THR A 78 12.256 -8.639 1.471 1.00 0.00 H new ATOM 0 HG22 THR A 78 11.539 -8.099 -0.065 1.00 0.00 H new ATOM 0 HG23 THR A 78 12.652 -7.030 0.822 1.00 0.00 H new ATOM 1065 N ILE A 79 8.008 -6.907 0.117 1.00 0.00 N ATOM 1066 CA ILE A 79 7.079 -7.363 -0.916 1.00 0.00 C ATOM 1067 C ILE A 79 6.695 -6.216 -1.849 1.00 0.00 C ATOM 1068 O ILE A 79 6.605 -6.400 -3.063 1.00 0.00 O ATOM 1069 CB ILE A 79 5.792 -7.975 -0.312 1.00 0.00 C ATOM 1070 CG1 ILE A 79 6.133 -9.085 0.689 1.00 0.00 C ATOM 1071 CG2 ILE A 79 4.890 -8.515 -1.416 1.00 0.00 C ATOM 1072 CD1 ILE A 79 5.123 -9.223 1.810 1.00 0.00 C ATOM 0 H ILE A 79 7.655 -6.996 1.070 1.00 0.00 H new ATOM 0 HA ILE A 79 7.599 -8.138 -1.480 1.00 0.00 H new ATOM 0 HB ILE A 79 5.259 -7.187 0.220 1.00 0.00 H new ATOM 0 HG12 ILE A 79 6.204 -10.033 0.157 1.00 0.00 H new ATOM 0 HG13 ILE A 79 7.115 -8.886 1.118 1.00 0.00 H new ATOM 0 HG21 ILE A 79 3.990 -8.942 -0.974 1.00 0.00 H new ATOM 0 HG22 ILE A 79 4.614 -7.704 -2.090 1.00 0.00 H new ATOM 0 HG23 ILE A 79 5.420 -9.286 -1.975 1.00 0.00 H new ATOM 0 HD11 ILE A 79 5.429 -10.027 2.479 1.00 0.00 H new ATOM 0 HD12 ILE A 79 5.068 -8.288 2.368 1.00 0.00 H new ATOM 0 HD13 ILE A 79 4.143 -9.453 1.391 1.00 0.00 H new ATOM 1084 N LEU A 80 6.476 -5.030 -1.276 1.00 0.00 N ATOM 1085 CA LEU A 80 6.112 -3.854 -2.064 1.00 0.00 C ATOM 1086 C LEU A 80 7.183 -3.555 -3.113 1.00 0.00 C ATOM 1087 O LEU A 80 6.867 -3.182 -4.243 1.00 0.00 O ATOM 1088 CB LEU A 80 5.916 -2.636 -1.157 1.00 0.00 C ATOM 1089 CG LEU A 80 4.688 -2.693 -0.245 1.00 0.00 C ATOM 1090 CD1 LEU A 80 4.925 -1.878 1.018 1.00 0.00 C ATOM 1091 CD2 LEU A 80 3.457 -2.195 -0.988 1.00 0.00 C ATOM 0 H LEU A 80 6.545 -4.861 -0.273 1.00 0.00 H new ATOM 0 HA LEU A 80 5.172 -4.067 -2.573 1.00 0.00 H new ATOM 0 HB2 LEU A 80 6.804 -2.519 -0.536 1.00 0.00 H new ATOM 0 HB3 LEU A 80 5.844 -1.746 -1.782 1.00 0.00 H new ATOM 0 HG LEU A 80 4.516 -3.729 0.047 1.00 0.00 H new ATOM 0 HD11 LEU A 80 4.042 -1.929 1.655 1.00 0.00 H new ATOM 0 HD12 LEU A 80 5.784 -2.281 1.555 1.00 0.00 H new ATOM 0 HD13 LEU A 80 5.119 -0.839 0.750 1.00 0.00 H new ATOM 0 HD21 LEU A 80 2.591 -2.241 -0.328 1.00 0.00 H new ATOM 0 HD22 LEU A 80 3.616 -1.165 -1.307 1.00 0.00 H new ATOM 0 HD23 LEU A 80 3.281 -2.822 -1.862 1.00 0.00 H new ATOM 1103 N SER A 81 8.450 -3.728 -2.733 1.00 0.00 N ATOM 1104 CA SER A 81 9.566 -3.485 -3.646 1.00 0.00 C ATOM 1105 C SER A 81 9.581 -4.513 -4.780 1.00 0.00 C ATOM 1106 O SER A 81 9.976 -4.199 -5.905 1.00 0.00 O ATOM 1107 CB SER A 81 10.898 -3.518 -2.889 1.00 0.00 C ATOM 1108 OG SER A 81 12.000 -3.531 -3.784 1.00 0.00 O ATOM 0 H SER A 81 8.728 -4.035 -1.801 1.00 0.00 H new ATOM 0 HA SER A 81 9.433 -2.495 -4.081 1.00 0.00 H new ATOM 0 HB2 SER A 81 10.968 -2.649 -2.235 1.00 0.00 H new ATOM 0 HB3 SER A 81 10.934 -4.401 -2.251 1.00 0.00 H new ATOM 0 HG SER A 81 12.836 -3.550 -3.273 1.00 0.00 H new ATOM 1114 N GLN A 82 9.149 -5.741 -4.480 1.00 0.00 N ATOM 1115 CA GLN A 82 9.113 -6.812 -5.479 1.00 0.00 C ATOM 1116 C GLN A 82 8.118 -6.495 -6.599 1.00 0.00 C ATOM 1117 O GLN A 82 8.292 -6.940 -7.733 1.00 0.00 O ATOM 1118 CB GLN A 82 8.742 -8.147 -4.824 1.00 0.00 C ATOM 1119 CG GLN A 82 9.685 -8.573 -3.710 1.00 0.00 C ATOM 1120 CD GLN A 82 9.571 -10.050 -3.387 1.00 0.00 C ATOM 1121 OE1 GLN A 82 9.838 -10.905 -4.232 1.00 0.00 O ATOM 1122 NE2 GLN A 82 9.171 -10.360 -2.158 1.00 0.00 N ATOM 0 H GLN A 82 8.820 -6.018 -3.555 1.00 0.00 H new ATOM 0 HA GLN A 82 10.110 -6.889 -5.913 1.00 0.00 H new ATOM 0 HB2 GLN A 82 7.731 -8.074 -4.422 1.00 0.00 H new ATOM 0 HB3 GLN A 82 8.726 -8.923 -5.589 1.00 0.00 H new ATOM 0 HG2 GLN A 82 10.711 -8.346 -4.000 1.00 0.00 H new ATOM 0 HG3 GLN A 82 9.470 -7.991 -2.814 1.00 0.00 H new ATOM 0 HE21 GLN A 82 8.960 -9.620 -1.488 1.00 0.00 H new ATOM 0 HE22 GLN A 82 9.075 -11.338 -1.884 1.00 0.00 H new ATOM 1131 N GLN A 83 7.075 -5.725 -6.275 1.00 0.00 N ATOM 1132 CA GLN A 83 6.060 -5.354 -7.260 1.00 0.00 C ATOM 1133 C GLN A 83 6.664 -4.493 -8.370 1.00 0.00 C ATOM 1134 O GLN A 83 7.042 -3.342 -8.140 1.00 0.00 O ATOM 1135 CB GLN A 83 4.902 -4.604 -6.592 1.00 0.00 C ATOM 1136 CG GLN A 83 4.372 -5.267 -5.327 1.00 0.00 C ATOM 1137 CD GLN A 83 4.083 -6.747 -5.507 1.00 0.00 C ATOM 1138 OE1 GLN A 83 3.492 -7.158 -6.504 1.00 0.00 O ATOM 1139 NE2 GLN A 83 4.499 -7.556 -4.538 1.00 0.00 N ATOM 0 H GLN A 83 6.913 -5.348 -5.341 1.00 0.00 H new ATOM 0 HA GLN A 83 5.676 -6.274 -7.702 1.00 0.00 H new ATOM 0 HB2 GLN A 83 5.231 -3.594 -6.348 1.00 0.00 H new ATOM 0 HB3 GLN A 83 4.085 -4.509 -7.308 1.00 0.00 H new ATOM 0 HG2 GLN A 83 5.099 -5.140 -4.525 1.00 0.00 H new ATOM 0 HG3 GLN A 83 3.459 -4.760 -5.013 1.00 0.00 H new ATOM 0 HE21 GLN A 83 4.986 -7.173 -3.728 1.00 0.00 H new ATOM 0 HE22 GLN A 83 4.331 -8.560 -4.605 1.00 0.00 H new ATOM 1148 N ARG A 84 6.755 -5.062 -9.572 1.00 0.00 N ATOM 1149 CA ARG A 84 7.315 -4.357 -10.722 1.00 0.00 C ATOM 1150 C ARG A 84 6.237 -4.058 -11.763 1.00 0.00 C ATOM 1151 O ARG A 84 5.293 -4.832 -11.930 1.00 0.00 O ATOM 1152 CB ARG A 84 8.431 -5.189 -11.356 1.00 0.00 C ATOM 1153 CG ARG A 84 9.495 -4.358 -12.058 1.00 0.00 C ATOM 1154 CD ARG A 84 10.367 -3.606 -11.061 1.00 0.00 C ATOM 1155 NE ARG A 84 10.201 -2.155 -11.165 1.00 0.00 N ATOM 1156 CZ ARG A 84 10.587 -1.286 -10.226 1.00 0.00 C ATOM 1157 NH1 ARG A 84 11.173 -1.712 -9.110 1.00 0.00 N ATOM 1158 NH2 ARG A 84 10.390 0.015 -10.404 1.00 0.00 N ATOM 0 H ARG A 84 6.446 -6.013 -9.774 1.00 0.00 H new ATOM 0 HA ARG A 84 7.724 -3.410 -10.371 1.00 0.00 H new ATOM 0 HB2 ARG A 84 8.906 -5.792 -10.582 1.00 0.00 H new ATOM 0 HB3 ARG A 84 7.992 -5.881 -12.074 1.00 0.00 H new ATOM 0 HG2 ARG A 84 10.120 -5.008 -12.671 1.00 0.00 H new ATOM 0 HG3 ARG A 84 9.017 -3.648 -12.732 1.00 0.00 H new ATOM 0 HD2 ARG A 84 10.119 -3.927 -10.049 1.00 0.00 H new ATOM 0 HD3 ARG A 84 11.413 -3.863 -11.229 1.00 0.00 H new ATOM 0 HE ARG A 84 9.763 -1.784 -12.008 1.00 0.00 H new ATOM 0 HH11 ARG A 84 11.331 -2.709 -8.966 1.00 0.00 H new ATOM 0 HH12 ARG A 84 11.464 -1.041 -8.399 1.00 0.00 H new ATOM 0 HH21 ARG A 84 9.944 0.351 -11.257 1.00 0.00 H new ATOM 0 HH22 ARG A 84 10.685 0.678 -9.687 1.00 0.00 H new ATOM 1172 N GLY A 85 6.390 -2.932 -12.463 1.00 0.00 N ATOM 1173 CA GLY A 85 5.428 -2.546 -13.483 1.00 0.00 C ATOM 1174 C GLY A 85 4.045 -2.296 -12.912 1.00 0.00 C ATOM 1175 O GLY A 85 3.824 -1.298 -12.223 1.00 0.00 O ATOM 0 H GLY A 85 7.165 -2.280 -12.340 1.00 0.00 H new ATOM 0 HA2 GLY A 85 5.778 -1.645 -13.986 1.00 0.00 H new ATOM 0 HA3 GLY A 85 5.370 -3.330 -14.238 1.00 0.00 H new ATOM 1179 N GLU A 86 3.116 -3.209 -13.193 1.00 0.00 N ATOM 1180 CA GLU A 86 1.751 -3.089 -12.698 1.00 0.00 C ATOM 1181 C GLU A 86 1.655 -3.600 -11.264 1.00 0.00 C ATOM 1182 O GLU A 86 2.033 -4.738 -10.974 1.00 0.00 O ATOM 1183 CB GLU A 86 0.781 -3.862 -13.597 1.00 0.00 C ATOM 1184 CG GLU A 86 -0.676 -3.468 -13.403 1.00 0.00 C ATOM 1185 CD GLU A 86 -1.601 -4.153 -14.390 1.00 0.00 C ATOM 1186 OE1 GLU A 86 -1.904 -5.348 -14.191 1.00 0.00 O ATOM 1187 OE2 GLU A 86 -2.024 -3.494 -15.363 1.00 0.00 O ATOM 0 H GLU A 86 3.287 -4.039 -13.761 1.00 0.00 H new ATOM 0 HA GLU A 86 1.476 -2.034 -12.713 1.00 0.00 H new ATOM 0 HB2 GLU A 86 1.057 -3.700 -14.639 1.00 0.00 H new ATOM 0 HB3 GLU A 86 0.889 -4.929 -13.401 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -0.984 -3.718 -12.388 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -0.774 -2.388 -13.509 1.00 0.00 H new ATOM 1194 N ILE A 87 1.153 -2.752 -10.372 1.00 0.00 N ATOM 1195 CA ILE A 87 1.012 -3.116 -8.968 1.00 0.00 C ATOM 1196 C ILE A 87 -0.429 -2.930 -8.497 1.00 0.00 C ATOM 1197 O ILE A 87 -0.982 -1.831 -8.580 1.00 0.00 O ATOM 1198 CB ILE A 87 1.952 -2.281 -8.072 1.00 0.00 C ATOM 1199 CG1 ILE A 87 3.340 -2.167 -8.714 1.00 0.00 C ATOM 1200 CG2 ILE A 87 2.052 -2.899 -6.683 1.00 0.00 C ATOM 1201 CD1 ILE A 87 4.317 -1.340 -7.908 1.00 0.00 C ATOM 0 H ILE A 87 0.837 -1.809 -10.597 1.00 0.00 H new ATOM 0 HA ILE A 87 1.286 -4.167 -8.882 1.00 0.00 H new ATOM 0 HB ILE A 87 1.536 -1.279 -7.972 1.00 0.00 H new ATOM 0 HG12 ILE A 87 3.751 -3.167 -8.850 1.00 0.00 H new ATOM 0 HG13 ILE A 87 3.237 -1.727 -9.706 1.00 0.00 H new ATOM 0 HG21 ILE A 87 2.718 -2.298 -6.064 1.00 0.00 H new ATOM 0 HG22 ILE A 87 1.063 -2.930 -6.226 1.00 0.00 H new ATOM 0 HG23 ILE A 87 2.447 -3.912 -6.763 1.00 0.00 H new ATOM 0 HD11 ILE A 87 5.276 -1.304 -8.424 1.00 0.00 H new ATOM 0 HD12 ILE A 87 3.929 -0.328 -7.793 1.00 0.00 H new ATOM 0 HD13 ILE A 87 4.451 -1.791 -6.925 1.00 0.00 H new ATOM 1213 N GLU A 88 -1.027 -4.011 -8.000 1.00 0.00 N ATOM 1214 CA GLU A 88 -2.402 -3.975 -7.511 1.00 0.00 C ATOM 1215 C GLU A 88 -2.438 -3.723 -6.008 1.00 0.00 C ATOM 1216 O GLU A 88 -1.750 -4.399 -5.240 1.00 0.00 O ATOM 1217 CB GLU A 88 -3.118 -5.289 -7.832 1.00 0.00 C ATOM 1218 CG GLU A 88 -3.784 -5.300 -9.200 1.00 0.00 C ATOM 1219 CD GLU A 88 -3.635 -6.628 -9.921 1.00 0.00 C ATOM 1220 OE1 GLU A 88 -2.518 -7.190 -9.915 1.00 0.00 O ATOM 1221 OE2 GLU A 88 -4.637 -7.106 -10.495 1.00 0.00 O ATOM 0 H GLU A 88 -0.579 -4.924 -7.926 1.00 0.00 H new ATOM 0 HA GLU A 88 -2.916 -3.156 -8.014 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -2.399 -6.107 -7.780 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -3.872 -5.478 -7.068 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -4.844 -5.073 -9.084 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -3.354 -4.509 -9.814 1.00 0.00 H new ATOM 1228 N PHE A 89 -3.246 -2.749 -5.595 1.00 0.00 N ATOM 1229 CA PHE A 89 -3.375 -2.407 -4.184 1.00 0.00 C ATOM 1230 C PHE A 89 -4.829 -2.482 -3.727 1.00 0.00 C ATOM 1231 O PHE A 89 -5.720 -1.902 -4.354 1.00 0.00 O ATOM 1232 CB PHE A 89 -2.823 -1.001 -3.929 1.00 0.00 C ATOM 1233 CG PHE A 89 -1.726 -0.963 -2.904 1.00 0.00 C ATOM 1234 CD1 PHE A 89 -0.441 -1.365 -3.230 1.00 0.00 C ATOM 1235 CD2 PHE A 89 -1.979 -0.517 -1.617 1.00 0.00 C ATOM 1236 CE1 PHE A 89 0.570 -1.329 -2.290 1.00 0.00 C ATOM 1237 CE2 PHE A 89 -0.972 -0.480 -0.672 1.00 0.00 C ATOM 1238 CZ PHE A 89 0.305 -0.883 -1.010 1.00 0.00 C ATOM 0 H PHE A 89 -3.821 -2.183 -6.219 1.00 0.00 H new ATOM 0 HA PHE A 89 -2.799 -3.132 -3.610 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -2.447 -0.592 -4.867 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -3.637 -0.354 -3.602 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -0.227 -1.710 -4.231 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -2.974 -0.195 -1.350 1.00 0.00 H new ATOM 0 HE1 PHE A 89 1.567 -1.649 -2.555 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -1.183 -0.136 0.330 1.00 0.00 H new ATOM 0 HZ PHE A 89 1.095 -0.849 -0.275 1.00 0.00 H new ATOM 1248 N GLU A 90 -5.060 -3.187 -2.621 1.00 0.00 N ATOM 1249 CA GLU A 90 -6.400 -3.324 -2.065 1.00 0.00 C ATOM 1250 C GLU A 90 -6.417 -2.841 -0.618 1.00 0.00 C ATOM 1251 O GLU A 90 -5.760 -3.420 0.250 1.00 0.00 O ATOM 1252 CB GLU A 90 -6.870 -4.778 -2.149 1.00 0.00 C ATOM 1253 CG GLU A 90 -7.608 -5.104 -3.440 1.00 0.00 C ATOM 1254 CD GLU A 90 -7.495 -6.567 -3.822 1.00 0.00 C ATOM 1255 OE1 GLU A 90 -6.363 -7.030 -4.080 1.00 0.00 O ATOM 1256 OE2 GLU A 90 -8.539 -7.251 -3.860 1.00 0.00 O ATOM 0 H GLU A 90 -4.334 -3.672 -2.093 1.00 0.00 H new ATOM 0 HA GLU A 90 -7.085 -2.709 -2.649 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -6.006 -5.437 -2.057 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -7.524 -4.990 -1.303 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -8.660 -4.841 -3.329 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -7.209 -4.490 -4.247 1.00 0.00 H new ATOM 1263 N VAL A 91 -7.163 -1.765 -0.373 1.00 0.00 N ATOM 1264 CA VAL A 91 -7.262 -1.178 0.961 1.00 0.00 C ATOM 1265 C VAL A 91 -8.698 -0.759 1.276 1.00 0.00 C ATOM 1266 O VAL A 91 -9.562 -0.762 0.396 1.00 0.00 O ATOM 1267 CB VAL A 91 -6.342 0.057 1.093 1.00 0.00 C ATOM 1268 CG1 VAL A 91 -4.875 -0.351 1.080 1.00 0.00 C ATOM 1269 CG2 VAL A 91 -6.631 1.057 -0.019 1.00 0.00 C ATOM 0 H VAL A 91 -7.710 -1.281 -1.085 1.00 0.00 H new ATOM 0 HA VAL A 91 -6.947 -1.944 1.670 1.00 0.00 H new ATOM 0 HB VAL A 91 -6.549 0.534 2.051 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -4.250 0.537 1.174 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -4.677 -1.024 1.914 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -4.647 -0.858 0.142 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -5.975 1.921 0.089 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -6.456 0.586 -0.986 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -7.670 1.381 0.044 1.00 0.00 H new ATOM 1279 N VAL A 92 -8.944 -0.391 2.533 1.00 0.00 N ATOM 1280 CA VAL A 92 -10.273 0.043 2.961 1.00 0.00 C ATOM 1281 C VAL A 92 -10.186 1.330 3.781 1.00 0.00 C ATOM 1282 O VAL A 92 -9.290 1.483 4.612 1.00 0.00 O ATOM 1283 CB VAL A 92 -10.989 -1.045 3.793 1.00 0.00 C ATOM 1284 CG1 VAL A 92 -11.309 -2.257 2.930 1.00 0.00 C ATOM 1285 CG2 VAL A 92 -10.152 -1.449 4.999 1.00 0.00 C ATOM 0 H VAL A 92 -8.241 -0.385 3.272 1.00 0.00 H new ATOM 0 HA VAL A 92 -10.854 0.227 2.057 1.00 0.00 H new ATOM 0 HB VAL A 92 -11.927 -0.627 4.159 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -11.813 -3.011 3.534 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -11.959 -1.957 2.108 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -10.385 -2.672 2.528 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -10.679 -2.216 5.567 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -9.193 -1.842 4.661 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -9.984 -0.579 5.633 1.00 0.00 H new ATOM 1295 N TYR A 93 -11.119 2.254 3.541 1.00 0.00 N ATOM 1296 CA TYR A 93 -11.140 3.528 4.261 1.00 0.00 C ATOM 1297 C TYR A 93 -11.467 3.309 5.741 1.00 0.00 C ATOM 1298 O TYR A 93 -12.561 2.854 6.082 1.00 0.00 O ATOM 1299 CB TYR A 93 -12.163 4.484 3.629 1.00 0.00 C ATOM 1300 CG TYR A 93 -11.776 5.949 3.706 1.00 0.00 C ATOM 1301 CD1 TYR A 93 -11.100 6.455 4.812 1.00 0.00 C ATOM 1302 CD2 TYR A 93 -12.095 6.830 2.676 1.00 0.00 C ATOM 1303 CE1 TYR A 93 -10.750 7.788 4.887 1.00 0.00 C ATOM 1304 CE2 TYR A 93 -11.749 8.166 2.747 1.00 0.00 C ATOM 1305 CZ TYR A 93 -11.078 8.639 3.855 1.00 0.00 C ATOM 1306 OH TYR A 93 -10.735 9.970 3.930 1.00 0.00 O ATOM 0 H TYR A 93 -11.867 2.144 2.856 1.00 0.00 H new ATOM 0 HA TYR A 93 -10.149 3.976 4.189 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -12.301 4.211 2.583 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -13.125 4.347 4.123 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -10.845 5.793 5.626 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -12.622 6.463 1.807 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -10.221 8.162 5.751 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -12.003 8.836 1.939 1.00 0.00 H new ATOM 0 HH TYR A 93 -11.038 10.432 3.121 1.00 0.00 H new ATOM 1316 N VAL A 94 -10.512 3.636 6.613 1.00 0.00 N ATOM 1317 CA VAL A 94 -10.698 3.473 8.051 1.00 0.00 C ATOM 1318 C VAL A 94 -11.019 4.808 8.721 1.00 0.00 C ATOM 1319 O VAL A 94 -10.367 5.821 8.457 1.00 0.00 O ATOM 1320 CB VAL A 94 -9.453 2.842 8.714 1.00 0.00 C ATOM 1321 CG1 VAL A 94 -8.224 3.728 8.549 1.00 0.00 C ATOM 1322 CG2 VAL A 94 -9.716 2.553 10.185 1.00 0.00 C ATOM 0 H VAL A 94 -9.603 4.015 6.346 1.00 0.00 H new ATOM 0 HA VAL A 94 -11.543 2.798 8.189 1.00 0.00 H new ATOM 0 HB VAL A 94 -9.250 1.898 8.208 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -7.367 3.254 9.027 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -8.016 3.868 7.488 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -8.409 4.697 9.014 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -8.827 2.109 10.633 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -9.957 3.482 10.701 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -10.553 1.860 10.276 1.00 0.00 H new ATOM 1332 N ALA A 95 -12.030 4.797 9.586 1.00 0.00 N ATOM 1333 CA ALA A 95 -12.452 6.000 10.300 1.00 0.00 C ATOM 1334 C ALA A 95 -13.443 5.663 11.417 1.00 0.00 C ATOM 1335 O ALA A 95 -14.055 6.602 11.970 1.00 0.00 O ATOM 1336 CB ALA A 95 -13.063 7.003 9.327 1.00 0.00 C ATOM 0 H ALA A 95 -12.575 3.964 9.810 1.00 0.00 H new ATOM 0 HA ALA A 95 -11.571 6.448 10.760 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -13.373 7.895 9.871 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -12.324 7.276 8.574 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -13.929 6.556 8.839 1.00 0.00 H new