USER MOD reduce.3.24.130724 H: found=0, std=0, add=832, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 831 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 34 HIS : no HD1:sc= -0.0195 X(o=-0.14,f=0.14) USER MOD Set 1.2: A 39 THR OG1 : rot 180:sc= -0.116 USER MOD Single : A 2 HIS : no HD1:sc= -0.727 K(o=-0.73,f=-0.17) USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= 0.448 K(o=0.45,f=-2.1!) USER MOD Single : A 23 SER OG : rot 78:sc= 1.28 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 40 CYS SG : rot -160:sc= -0.343 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= -0.0339 X(o=-0.034,f=-0.033) USER MOD Single : A 55 GLN : amide:sc= 1.11 K(o=1.1,f=-0.0092) USER MOD Single : A 57 TYR OH : rot -63:sc= 0.00531 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot -170:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 MET CE :methyl -119:sc= 0 (180deg=-0.078) USER MOD Single : A 85 GLN : amide:sc= -0.03 X(o=-0.03,f=-0.17) USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0.0586 USER MOD Single : A 92 THR OG1 : rot 104:sc= 0.471 USER MOD Single : A 99 HIS : no HD1:sc= -0.438 K(o=-0.44,f=-1.2) USER MOD Single : A 103 THR OG1 : rot -8:sc= 0.696 USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 ASN : amide:sc= -0.141 X(o=-0.14,f=-0.48) USER MOD ----------------------------------------------------------------- ATOM 8 N HIS A 2 1.399 -19.909 1.300 1.00 0.00 N ATOM 9 CA HIS A 2 1.392 -18.455 1.368 1.00 0.00 C ATOM 10 C HIS A 2 1.604 -18.093 2.840 1.00 0.00 C ATOM 11 O HIS A 2 1.269 -18.875 3.730 1.00 0.00 O ATOM 12 CB HIS A 2 0.080 -17.896 0.791 1.00 0.00 C ATOM 13 CG HIS A 2 -0.120 -18.132 -0.685 1.00 0.00 C ATOM 14 ND1 HIS A 2 -0.273 -19.336 -1.336 1.00 0.00 N ATOM 15 CD2 HIS A 2 -0.259 -17.146 -1.618 1.00 0.00 C ATOM 16 CE1 HIS A 2 -0.481 -19.080 -2.639 1.00 0.00 C ATOM 17 NE2 HIS A 2 -0.467 -17.751 -2.865 1.00 0.00 N ATOM 0 HA HIS A 2 2.184 -18.010 0.765 1.00 0.00 H new ATOM 0 HB2 HIS A 2 -0.755 -18.341 1.331 1.00 0.00 H new ATOM 0 HB3 HIS A 2 0.046 -16.823 0.980 1.00 0.00 H new ATOM 0 HD2 HIS A 2 -0.216 -16.084 -1.428 1.00 0.00 H new ATOM 0 HE1 HIS A 2 -0.637 -19.833 -3.398 1.00 0.00 H new ATOM 0 HE2 HIS A 2 -0.584 -17.281 -3.762 1.00 0.00 H new ATOM 25 N VAL A 3 2.152 -16.910 3.095 1.00 0.00 N ATOM 26 CA VAL A 3 2.443 -16.414 4.437 1.00 0.00 C ATOM 27 C VAL A 3 1.297 -15.521 4.855 1.00 0.00 C ATOM 28 O VAL A 3 0.883 -14.641 4.108 1.00 0.00 O ATOM 29 CB VAL A 3 3.772 -15.653 4.483 1.00 0.00 C ATOM 30 CG1 VAL A 3 4.084 -15.091 5.873 1.00 0.00 C ATOM 31 CG2 VAL A 3 4.935 -16.532 4.021 1.00 0.00 C ATOM 0 H VAL A 3 2.412 -16.254 2.359 1.00 0.00 H new ATOM 0 HA VAL A 3 2.544 -17.253 5.125 1.00 0.00 H new ATOM 0 HB VAL A 3 3.657 -14.814 3.797 1.00 0.00 H new ATOM 0 HG11 VAL A 3 5.037 -14.562 5.846 1.00 0.00 H new ATOM 0 HG12 VAL A 3 3.295 -14.402 6.172 1.00 0.00 H new ATOM 0 HG13 VAL A 3 4.143 -15.909 6.591 1.00 0.00 H new ATOM 0 HG21 VAL A 3 5.863 -15.961 4.066 1.00 0.00 H new ATOM 0 HG22 VAL A 3 5.013 -17.403 4.671 1.00 0.00 H new ATOM 0 HG23 VAL A 3 4.759 -16.859 2.996 1.00 0.00 H new ATOM 41 N GLN A 4 0.762 -15.764 6.037 1.00 0.00 N ATOM 42 CA GLN A 4 -0.332 -14.977 6.567 1.00 0.00 C ATOM 43 C GLN A 4 0.219 -13.633 7.018 1.00 0.00 C ATOM 44 O GLN A 4 1.295 -13.590 7.624 1.00 0.00 O ATOM 45 CB GLN A 4 -0.989 -15.717 7.736 1.00 0.00 C ATOM 46 CG GLN A 4 -2.497 -15.483 7.704 1.00 0.00 C ATOM 47 CD GLN A 4 -3.163 -15.925 9.009 1.00 0.00 C ATOM 48 OE1 GLN A 4 -2.909 -17.016 9.511 1.00 0.00 O ATOM 49 NE2 GLN A 4 -4.006 -15.088 9.588 1.00 0.00 N ATOM 0 H GLN A 4 1.075 -16.513 6.655 1.00 0.00 H new ATOM 0 HA GLN A 4 -1.092 -14.819 5.802 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -0.774 -16.784 7.672 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -0.576 -15.365 8.681 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -2.698 -14.426 7.532 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -2.933 -16.031 6.868 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -4.205 -14.185 9.157 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -4.457 -15.345 10.466 1.00 0.00 H new ATOM 58 N LEU A 5 -0.531 -12.562 6.779 1.00 0.00 N ATOM 59 CA LEU A 5 -0.261 -11.243 7.319 1.00 0.00 C ATOM 60 C LEU A 5 -1.558 -10.612 7.789 1.00 0.00 C ATOM 61 O LEU A 5 -2.648 -11.010 7.374 1.00 0.00 O ATOM 62 CB LEU A 5 0.446 -10.342 6.289 1.00 0.00 C ATOM 63 CG LEU A 5 1.918 -10.696 6.007 1.00 0.00 C ATOM 64 CD1 LEU A 5 2.446 -9.724 4.945 1.00 0.00 C ATOM 65 CD2 LEU A 5 2.803 -10.557 7.249 1.00 0.00 C ATOM 0 H LEU A 5 -1.363 -12.593 6.189 1.00 0.00 H new ATOM 0 HA LEU A 5 0.415 -11.349 8.168 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -0.108 -10.387 5.351 1.00 0.00 H new ATOM 0 HB3 LEU A 5 0.398 -9.311 6.639 1.00 0.00 H new ATOM 0 HG LEU A 5 1.955 -11.735 5.679 1.00 0.00 H new ATOM 0 HD11 LEU A 5 3.489 -9.954 4.727 1.00 0.00 H new ATOM 0 HD12 LEU A 5 1.855 -9.823 4.035 1.00 0.00 H new ATOM 0 HD13 LEU A 5 2.370 -8.702 5.317 1.00 0.00 H new ATOM 0 HD21 LEU A 5 3.830 -10.818 6.995 1.00 0.00 H new ATOM 0 HD22 LEU A 5 2.768 -9.528 7.607 1.00 0.00 H new ATOM 0 HD23 LEU A 5 2.441 -11.225 8.030 1.00 0.00 H new ATOM 77 N SER A 6 -1.429 -9.585 8.618 1.00 0.00 N ATOM 78 CA SER A 6 -2.506 -8.740 9.060 1.00 0.00 C ATOM 79 C SER A 6 -2.077 -7.288 8.885 1.00 0.00 C ATOM 80 O SER A 6 -0.886 -6.984 8.924 1.00 0.00 O ATOM 81 CB SER A 6 -2.817 -9.062 10.516 1.00 0.00 C ATOM 82 OG SER A 6 -2.985 -10.449 10.765 1.00 0.00 O ATOM 0 H SER A 6 -0.528 -9.315 9.012 1.00 0.00 H new ATOM 0 HA SER A 6 -3.410 -8.908 8.476 1.00 0.00 H new ATOM 0 HB2 SER A 6 -2.011 -8.683 11.144 1.00 0.00 H new ATOM 0 HB3 SER A 6 -3.725 -8.535 10.811 1.00 0.00 H new ATOM 0 HG SER A 6 -3.180 -10.590 11.715 1.00 0.00 H new ATOM 88 N LEU A 7 -3.046 -6.399 8.672 1.00 0.00 N ATOM 89 CA LEU A 7 -2.835 -5.007 8.301 1.00 0.00 C ATOM 90 C LEU A 7 -3.862 -4.174 9.070 1.00 0.00 C ATOM 91 O LEU A 7 -5.041 -4.534 9.010 1.00 0.00 O ATOM 92 CB LEU A 7 -3.071 -4.838 6.787 1.00 0.00 C ATOM 93 CG LEU A 7 -2.103 -5.628 5.882 1.00 0.00 C ATOM 94 CD1 LEU A 7 -2.675 -5.717 4.465 1.00 0.00 C ATOM 95 CD2 LEU A 7 -0.718 -4.979 5.845 1.00 0.00 C ATOM 0 H LEU A 7 -4.033 -6.640 8.757 1.00 0.00 H new ATOM 0 HA LEU A 7 -1.819 -4.691 8.536 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -4.091 -5.146 6.557 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -2.994 -3.779 6.539 1.00 0.00 H new ATOM 0 HG LEU A 7 -1.994 -6.630 6.297 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -1.988 -6.276 3.830 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -3.639 -6.226 4.493 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -2.807 -4.713 4.062 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -0.061 -5.561 5.199 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -0.802 -3.964 5.458 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -0.303 -4.950 6.852 1.00 0.00 H new ATOM 107 N PRO A 8 -3.482 -3.096 9.774 1.00 0.00 N ATOM 108 CA PRO A 8 -4.436 -2.164 10.362 1.00 0.00 C ATOM 109 C PRO A 8 -5.161 -1.429 9.234 1.00 0.00 C ATOM 110 O PRO A 8 -4.561 -1.124 8.202 1.00 0.00 O ATOM 111 CB PRO A 8 -3.585 -1.224 11.220 1.00 0.00 C ATOM 112 CG PRO A 8 -2.253 -1.183 10.489 1.00 0.00 C ATOM 113 CD PRO A 8 -2.127 -2.603 9.944 1.00 0.00 C ATOM 0 HA PRO A 8 -5.206 -2.640 10.969 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -4.033 -0.233 11.294 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -3.473 -1.600 12.237 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -2.252 -0.441 9.691 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -1.431 -0.932 11.159 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -1.589 -2.609 8.996 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -1.567 -3.235 10.633 1.00 0.00 H new ATOM 121 N VAL A 9 -6.442 -1.139 9.427 1.00 0.00 N ATOM 122 CA VAL A 9 -7.282 -0.431 8.473 1.00 0.00 C ATOM 123 C VAL A 9 -7.408 0.988 9.013 1.00 0.00 C ATOM 124 O VAL A 9 -7.913 1.165 10.123 1.00 0.00 O ATOM 125 CB VAL A 9 -8.631 -1.162 8.283 1.00 0.00 C ATOM 126 CG1 VAL A 9 -9.531 -0.484 7.239 1.00 0.00 C ATOM 127 CG2 VAL A 9 -8.427 -2.619 7.823 1.00 0.00 C ATOM 0 H VAL A 9 -6.939 -1.399 10.279 1.00 0.00 H new ATOM 0 HA VAL A 9 -6.855 -0.399 7.471 1.00 0.00 H new ATOM 0 HB VAL A 9 -9.110 -1.127 9.261 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -10.464 -1.040 7.147 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -9.746 0.537 7.553 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -9.022 -0.468 6.275 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -9.397 -3.101 7.700 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -7.894 -2.629 6.872 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -7.846 -3.159 8.571 1.00 0.00 H new ATOM 137 N LEU A 10 -6.886 1.976 8.279 1.00 0.00 N ATOM 138 CA LEU A 10 -6.696 3.362 8.722 1.00 0.00 C ATOM 139 C LEU A 10 -7.360 4.268 7.676 1.00 0.00 C ATOM 140 O LEU A 10 -7.100 4.079 6.481 1.00 0.00 O ATOM 141 CB LEU A 10 -5.187 3.697 8.859 1.00 0.00 C ATOM 142 CG LEU A 10 -4.308 2.685 9.637 1.00 0.00 C ATOM 143 CD1 LEU A 10 -2.894 2.606 9.056 1.00 0.00 C ATOM 144 CD2 LEU A 10 -4.196 3.066 11.112 1.00 0.00 C ATOM 0 H LEU A 10 -6.571 1.826 7.320 1.00 0.00 H new ATOM 0 HA LEU A 10 -7.146 3.514 9.703 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -4.772 3.805 7.857 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -5.099 4.667 9.347 1.00 0.00 H new ATOM 0 HG LEU A 10 -4.798 1.716 9.541 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -2.306 1.887 9.626 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -2.946 2.288 8.015 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -2.422 3.587 9.113 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -3.573 2.337 11.630 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -3.746 4.055 11.199 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -5.189 3.079 11.561 1.00 0.00 H new ATOM 156 N GLN A 11 -8.220 5.209 8.097 1.00 0.00 N ATOM 157 CA GLN A 11 -9.040 6.037 7.200 1.00 0.00 C ATOM 158 C GLN A 11 -8.185 6.877 6.255 1.00 0.00 C ATOM 159 O GLN A 11 -7.101 7.329 6.615 1.00 0.00 O ATOM 160 CB GLN A 11 -9.929 7.013 7.993 1.00 0.00 C ATOM 161 CG GLN A 11 -11.013 6.374 8.857 1.00 0.00 C ATOM 162 CD GLN A 11 -12.088 7.398 9.214 1.00 0.00 C ATOM 163 OE1 GLN A 11 -11.982 8.116 10.205 1.00 0.00 O ATOM 164 NE2 GLN A 11 -13.114 7.523 8.390 1.00 0.00 N ATOM 0 H GLN A 11 -8.367 5.419 9.084 1.00 0.00 H new ATOM 0 HA GLN A 11 -9.650 5.336 6.629 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -9.289 7.618 8.635 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -10.407 7.693 7.288 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -11.463 5.536 8.325 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -10.570 5.971 9.768 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -13.187 6.919 7.571 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -13.832 8.224 8.573 1.00 0.00 H new ATOM 173 N VAL A 12 -8.727 7.230 5.086 1.00 0.00 N ATOM 174 CA VAL A 12 -8.023 8.087 4.142 1.00 0.00 C ATOM 175 C VAL A 12 -7.780 9.476 4.750 1.00 0.00 C ATOM 176 O VAL A 12 -6.771 10.099 4.428 1.00 0.00 O ATOM 177 CB VAL A 12 -8.763 8.086 2.778 1.00 0.00 C ATOM 178 CG1 VAL A 12 -10.241 8.491 2.855 1.00 0.00 C ATOM 179 CG2 VAL A 12 -8.127 8.979 1.695 1.00 0.00 C ATOM 0 H VAL A 12 -9.652 6.933 4.775 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.027 7.695 3.937 1.00 0.00 H new ATOM 0 HB VAL A 12 -8.671 7.037 2.497 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -10.679 8.463 1.857 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -10.775 7.798 3.505 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -10.321 9.501 3.258 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -8.713 8.913 0.779 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -8.108 10.013 2.040 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -7.109 8.644 1.499 1.00 0.00 H new ATOM 189 N ARG A 13 -8.639 9.937 5.672 1.00 0.00 N ATOM 190 CA ARG A 13 -8.465 11.222 6.350 1.00 0.00 C ATOM 191 C ARG A 13 -7.362 11.181 7.410 1.00 0.00 C ATOM 192 O ARG A 13 -6.708 12.199 7.652 1.00 0.00 O ATOM 193 CB ARG A 13 -9.787 11.711 6.978 1.00 0.00 C ATOM 194 CG ARG A 13 -10.587 10.625 7.720 1.00 0.00 C ATOM 195 CD ARG A 13 -11.460 11.162 8.862 1.00 0.00 C ATOM 196 NE ARG A 13 -10.855 10.818 10.157 1.00 0.00 N ATOM 197 CZ ARG A 13 -10.047 11.573 10.910 1.00 0.00 C ATOM 198 NH1 ARG A 13 -9.939 12.888 10.731 1.00 0.00 N ATOM 199 NH2 ARG A 13 -9.312 10.982 11.836 1.00 0.00 N ATOM 0 H ARG A 13 -9.472 9.427 5.965 1.00 0.00 H new ATOM 0 HA ARG A 13 -8.157 11.932 5.582 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -9.565 12.519 7.675 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -10.414 12.131 6.191 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -11.223 10.104 7.004 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -9.892 9.888 8.123 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -11.564 12.244 8.775 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -12.462 10.739 8.795 1.00 0.00 H new ATOM 0 HE ARG A 13 -11.078 9.893 10.525 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -10.482 13.350 10.002 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -9.313 13.434 11.323 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -9.368 9.972 11.964 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -8.688 11.536 12.423 1.00 0.00 H new ATOM 213 N ASP A 14 -7.176 10.026 8.046 1.00 0.00 N ATOM 214 CA ASP A 14 -6.232 9.815 9.145 1.00 0.00 C ATOM 215 C ASP A 14 -4.801 9.756 8.612 1.00 0.00 C ATOM 216 O ASP A 14 -3.841 10.197 9.240 1.00 0.00 O ATOM 217 CB ASP A 14 -6.523 8.456 9.808 1.00 0.00 C ATOM 218 CG ASP A 14 -7.235 8.555 11.151 1.00 0.00 C ATOM 219 OD1 ASP A 14 -6.538 8.631 12.184 1.00 0.00 O ATOM 220 OD2 ASP A 14 -8.484 8.479 11.179 1.00 0.00 O ATOM 0 H ASP A 14 -7.695 9.182 7.803 1.00 0.00 H new ATOM 0 HA ASP A 14 -6.341 10.637 9.853 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -7.131 7.857 9.130 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -5.582 7.923 9.947 1.00 0.00 H new ATOM 225 N VAL A 15 -4.661 9.102 7.468 1.00 0.00 N ATOM 226 CA VAL A 15 -3.454 8.718 6.762 1.00 0.00 C ATOM 227 C VAL A 15 -2.774 9.924 6.108 1.00 0.00 C ATOM 228 O VAL A 15 -2.844 10.095 4.893 1.00 0.00 O ATOM 229 CB VAL A 15 -3.758 7.535 5.842 1.00 0.00 C ATOM 230 CG1 VAL A 15 -2.531 7.099 5.025 1.00 0.00 C ATOM 231 CG2 VAL A 15 -4.298 6.307 6.601 1.00 0.00 C ATOM 0 H VAL A 15 -5.488 8.794 6.957 1.00 0.00 H new ATOM 0 HA VAL A 15 -2.698 8.359 7.460 1.00 0.00 H new ATOM 0 HB VAL A 15 -4.532 7.902 5.168 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -2.799 6.256 4.388 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -2.193 7.929 4.405 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -1.730 6.802 5.702 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -4.495 5.500 5.895 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -3.560 5.977 7.332 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -5.222 6.574 7.114 1.00 0.00 H new ATOM 241 N LEU A 16 -2.302 10.862 6.924 1.00 0.00 N ATOM 242 CA LEU A 16 -1.445 11.989 6.562 1.00 0.00 C ATOM 243 C LEU A 16 -0.342 11.701 5.528 1.00 0.00 C ATOM 244 O LEU A 16 0.142 12.652 4.913 1.00 0.00 O ATOM 245 CB LEU A 16 -0.774 12.513 7.845 1.00 0.00 C ATOM 246 CG LEU A 16 -1.710 13.214 8.849 1.00 0.00 C ATOM 247 CD1 LEU A 16 -0.890 13.723 10.040 1.00 0.00 C ATOM 248 CD2 LEU A 16 -2.462 14.385 8.210 1.00 0.00 C ATOM 0 H LEU A 16 -2.522 10.856 7.920 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.107 12.711 6.084 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.292 11.675 8.349 1.00 0.00 H new ATOM 0 HB3 LEU A 16 0.014 13.211 7.562 1.00 0.00 H new ATOM 0 HG LEU A 16 -2.449 12.485 9.180 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -1.551 14.219 10.751 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -0.397 12.882 10.528 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -0.138 14.430 9.689 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -3.110 14.850 8.953 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -1.746 15.120 7.842 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -3.066 14.020 7.380 1.00 0.00 H new ATOM 260 N VAL A 17 0.084 10.451 5.334 1.00 0.00 N ATOM 261 CA VAL A 17 1.001 10.052 4.270 1.00 0.00 C ATOM 262 C VAL A 17 0.404 8.855 3.524 1.00 0.00 C ATOM 263 O VAL A 17 0.504 7.704 3.949 1.00 0.00 O ATOM 264 CB VAL A 17 2.450 9.886 4.791 1.00 0.00 C ATOM 265 CG1 VAL A 17 2.586 9.071 6.086 1.00 0.00 C ATOM 266 CG2 VAL A 17 3.385 9.324 3.707 1.00 0.00 C ATOM 0 H VAL A 17 -0.207 9.673 5.926 1.00 0.00 H new ATOM 0 HA VAL A 17 1.107 10.843 3.527 1.00 0.00 H new ATOM 0 HB VAL A 17 2.757 10.900 5.046 1.00 0.00 H new ATOM 0 HG11 VAL A 17 3.637 9.011 6.370 1.00 0.00 H new ATOM 0 HG12 VAL A 17 2.022 9.557 6.883 1.00 0.00 H new ATOM 0 HG13 VAL A 17 2.195 8.066 5.926 1.00 0.00 H new ATOM 0 HG21 VAL A 17 4.392 9.222 4.112 1.00 0.00 H new ATOM 0 HG22 VAL A 17 3.023 8.348 3.385 1.00 0.00 H new ATOM 0 HG23 VAL A 17 3.404 10.003 2.855 1.00 0.00 H new ATOM 276 N ARG A 18 -0.289 9.125 2.415 1.00 0.00 N ATOM 277 CA ARG A 18 -0.989 8.105 1.641 1.00 0.00 C ATOM 278 C ARG A 18 -0.105 7.333 0.666 1.00 0.00 C ATOM 279 O ARG A 18 -0.620 6.448 -0.008 1.00 0.00 O ATOM 280 CB ARG A 18 -2.128 8.705 0.841 1.00 0.00 C ATOM 281 CG ARG A 18 -3.046 9.714 1.521 1.00 0.00 C ATOM 282 CD ARG A 18 -4.471 9.195 1.534 1.00 0.00 C ATOM 283 NE ARG A 18 -4.621 8.149 2.560 1.00 0.00 N ATOM 284 CZ ARG A 18 -5.154 6.925 2.431 1.00 0.00 C ATOM 285 NH1 ARG A 18 -5.897 6.583 1.390 1.00 0.00 N ATOM 286 NH2 ARG A 18 -4.983 6.025 3.380 1.00 0.00 N ATOM 0 H ARG A 18 -0.379 10.065 2.029 1.00 0.00 H new ATOM 0 HA ARG A 18 -1.353 7.407 2.395 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -1.698 9.188 -0.036 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -2.748 7.884 0.481 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -2.707 9.896 2.541 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -3.003 10.668 0.996 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -5.162 10.014 1.735 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -4.729 8.793 0.554 1.00 0.00 H new ATOM 0 HE ARG A 18 -4.274 8.386 3.490 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -6.081 7.261 0.650 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -6.285 5.642 1.328 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -4.445 6.259 4.214 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -5.389 5.095 3.280 1.00 0.00 H new ATOM 300 N GLY A 19 1.163 7.691 0.508 1.00 0.00 N ATOM 301 CA GLY A 19 2.002 7.156 -0.538 1.00 0.00 C ATOM 302 C GLY A 19 3.371 6.857 0.027 1.00 0.00 C ATOM 303 O GLY A 19 4.029 7.789 0.484 1.00 0.00 O ATOM 0 H GLY A 19 1.634 8.366 1.110 1.00 0.00 H new ATOM 0 HA2 GLY A 19 1.559 6.249 -0.948 1.00 0.00 H new ATOM 0 HA3 GLY A 19 2.082 7.870 -1.358 1.00 0.00 H new ATOM 307 N PHE A 20 3.805 5.596 -0.012 1.00 0.00 N ATOM 308 CA PHE A 20 5.149 5.211 0.424 1.00 0.00 C ATOM 309 C PHE A 20 6.259 5.963 -0.324 1.00 0.00 C ATOM 310 O PHE A 20 7.345 6.146 0.225 1.00 0.00 O ATOM 311 CB PHE A 20 5.367 3.713 0.207 1.00 0.00 C ATOM 312 CG PHE A 20 4.614 2.768 1.110 1.00 0.00 C ATOM 313 CD1 PHE A 20 5.107 2.502 2.397 1.00 0.00 C ATOM 314 CD2 PHE A 20 3.459 2.112 0.656 1.00 0.00 C ATOM 315 CE1 PHE A 20 4.419 1.605 3.232 1.00 0.00 C ATOM 316 CE2 PHE A 20 2.755 1.248 1.506 1.00 0.00 C ATOM 317 CZ PHE A 20 3.241 0.982 2.796 1.00 0.00 C ATOM 0 H PHE A 20 3.238 4.816 -0.345 1.00 0.00 H new ATOM 0 HA PHE A 20 5.209 5.470 1.481 1.00 0.00 H new ATOM 0 HB2 PHE A 20 5.101 3.479 -0.824 1.00 0.00 H new ATOM 0 HB3 PHE A 20 6.432 3.508 0.316 1.00 0.00 H new ATOM 0 HD1 PHE A 20 6.009 2.984 2.743 1.00 0.00 H new ATOM 0 HD2 PHE A 20 3.111 2.274 -0.354 1.00 0.00 H new ATOM 0 HE1 PHE A 20 4.802 1.393 4.220 1.00 0.00 H new ATOM 0 HE2 PHE A 20 1.839 0.787 1.169 1.00 0.00 H new ATOM 0 HZ PHE A 20 2.712 0.303 3.448 1.00 0.00 H new ATOM 327 N GLY A 21 6.001 6.365 -1.570 1.00 0.00 N ATOM 328 CA GLY A 21 6.928 7.054 -2.458 1.00 0.00 C ATOM 329 C GLY A 21 6.127 7.692 -3.580 1.00 0.00 C ATOM 330 O GLY A 21 4.898 7.595 -3.590 1.00 0.00 O ATOM 0 H GLY A 21 5.092 6.209 -2.005 1.00 0.00 H new ATOM 0 HA2 GLY A 21 7.486 7.813 -1.910 1.00 0.00 H new ATOM 0 HA3 GLY A 21 7.658 6.353 -2.863 1.00 0.00 H new ATOM 334 N ASP A 22 6.785 8.364 -4.520 1.00 0.00 N ATOM 335 CA ASP A 22 6.122 9.138 -5.572 1.00 0.00 C ATOM 336 C ASP A 22 5.998 8.436 -6.917 1.00 0.00 C ATOM 337 O ASP A 22 5.334 8.976 -7.802 1.00 0.00 O ATOM 338 CB ASP A 22 6.786 10.508 -5.768 1.00 0.00 C ATOM 339 CG ASP A 22 8.179 10.485 -6.408 1.00 0.00 C ATOM 340 OD1 ASP A 22 8.462 9.697 -7.339 1.00 0.00 O ATOM 341 OD2 ASP A 22 9.033 11.273 -5.938 1.00 0.00 O ATOM 0 H ASP A 22 7.803 8.389 -4.576 1.00 0.00 H new ATOM 0 HA ASP A 22 5.104 9.261 -5.201 1.00 0.00 H new ATOM 0 HB2 ASP A 22 6.132 11.123 -6.386 1.00 0.00 H new ATOM 0 HB3 ASP A 22 6.860 10.998 -4.797 1.00 0.00 H new ATOM 346 N SER A 23 6.577 7.246 -7.083 1.00 0.00 N ATOM 347 CA SER A 23 6.508 6.517 -8.344 1.00 0.00 C ATOM 348 C SER A 23 6.079 5.065 -8.136 1.00 0.00 C ATOM 349 O SER A 23 6.069 4.569 -7.010 1.00 0.00 O ATOM 350 CB SER A 23 7.836 6.692 -9.089 1.00 0.00 C ATOM 351 OG SER A 23 8.023 8.056 -9.440 1.00 0.00 O ATOM 0 H SER A 23 7.102 6.766 -6.352 1.00 0.00 H new ATOM 0 HA SER A 23 5.726 6.932 -8.980 1.00 0.00 H new ATOM 0 HB2 SER A 23 8.661 6.353 -8.462 1.00 0.00 H new ATOM 0 HB3 SER A 23 7.843 6.073 -9.986 1.00 0.00 H new ATOM 0 HG SER A 23 8.315 8.560 -8.652 1.00 0.00 H new ATOM 357 N VAL A 24 5.668 4.402 -9.219 1.00 0.00 N ATOM 358 CA VAL A 24 5.029 3.084 -9.194 1.00 0.00 C ATOM 359 C VAL A 24 5.957 2.068 -8.599 1.00 0.00 C ATOM 360 O VAL A 24 5.534 1.240 -7.791 1.00 0.00 O ATOM 361 CB VAL A 24 4.615 2.682 -10.620 1.00 0.00 C ATOM 362 CG1 VAL A 24 4.232 1.217 -10.857 1.00 0.00 C ATOM 363 CG2 VAL A 24 3.407 3.533 -10.939 1.00 0.00 C ATOM 0 H VAL A 24 5.773 4.776 -10.162 1.00 0.00 H new ATOM 0 HA VAL A 24 4.135 3.129 -8.572 1.00 0.00 H new ATOM 0 HB VAL A 24 5.491 2.830 -11.251 1.00 0.00 H new ATOM 0 HG11 VAL A 24 3.963 1.076 -11.904 1.00 0.00 H new ATOM 0 HG12 VAL A 24 5.078 0.575 -10.610 1.00 0.00 H new ATOM 0 HG13 VAL A 24 3.383 0.956 -10.226 1.00 0.00 H new ATOM 0 HG21 VAL A 24 3.054 3.301 -11.944 1.00 0.00 H new ATOM 0 HG22 VAL A 24 2.615 3.325 -10.219 1.00 0.00 H new ATOM 0 HG23 VAL A 24 3.680 4.587 -10.884 1.00 0.00 H new ATOM 373 N GLU A 25 7.206 2.090 -9.037 1.00 0.00 N ATOM 374 CA GLU A 25 8.133 1.127 -8.524 1.00 0.00 C ATOM 375 C GLU A 25 8.572 1.526 -7.120 1.00 0.00 C ATOM 376 O GLU A 25 8.680 0.637 -6.288 1.00 0.00 O ATOM 377 CB GLU A 25 9.287 0.950 -9.500 1.00 0.00 C ATOM 378 CG GLU A 25 8.889 -0.088 -10.560 1.00 0.00 C ATOM 379 CD GLU A 25 9.959 -0.354 -11.622 1.00 0.00 C ATOM 380 OE1 GLU A 25 11.154 -0.040 -11.391 1.00 0.00 O ATOM 381 OE2 GLU A 25 9.580 -0.892 -12.690 1.00 0.00 O ATOM 0 H GLU A 25 7.581 2.745 -9.723 1.00 0.00 H new ATOM 0 HA GLU A 25 7.657 0.151 -8.430 1.00 0.00 H new ATOM 0 HB2 GLU A 25 9.527 1.901 -9.976 1.00 0.00 H new ATOM 0 HB3 GLU A 25 10.182 0.623 -8.970 1.00 0.00 H new ATOM 0 HG2 GLU A 25 8.651 -1.027 -10.060 1.00 0.00 H new ATOM 0 HG3 GLU A 25 7.979 0.249 -11.056 1.00 0.00 H new ATOM 388 N GLU A 26 8.724 2.828 -6.841 1.00 0.00 N ATOM 389 CA GLU A 26 9.123 3.359 -5.537 1.00 0.00 C ATOM 390 C GLU A 26 8.180 2.850 -4.462 1.00 0.00 C ATOM 391 O GLU A 26 8.590 2.117 -3.563 1.00 0.00 O ATOM 392 CB GLU A 26 9.140 4.896 -5.518 1.00 0.00 C ATOM 393 CG GLU A 26 10.178 5.492 -6.471 1.00 0.00 C ATOM 394 CD GLU A 26 11.630 5.343 -6.019 1.00 0.00 C ATOM 395 OE1 GLU A 26 12.107 4.205 -5.820 1.00 0.00 O ATOM 396 OE2 GLU A 26 12.382 6.346 -6.028 1.00 0.00 O ATOM 0 H GLU A 26 8.568 3.557 -7.537 1.00 0.00 H new ATOM 0 HA GLU A 26 10.138 3.012 -5.341 1.00 0.00 H new ATOM 0 HB2 GLU A 26 8.151 5.269 -5.787 1.00 0.00 H new ATOM 0 HB3 GLU A 26 9.345 5.240 -4.504 1.00 0.00 H new ATOM 0 HG2 GLU A 26 10.067 5.020 -7.447 1.00 0.00 H new ATOM 0 HG3 GLU A 26 9.961 6.552 -6.603 1.00 0.00 H new ATOM 403 N ALA A 27 6.909 3.237 -4.584 1.00 0.00 N ATOM 404 CA ALA A 27 5.904 2.990 -3.577 1.00 0.00 C ATOM 405 C ALA A 27 5.741 1.488 -3.344 1.00 0.00 C ATOM 406 O ALA A 27 5.626 1.074 -2.193 1.00 0.00 O ATOM 407 CB ALA A 27 4.595 3.668 -3.995 1.00 0.00 C ATOM 0 H ALA A 27 6.555 3.737 -5.400 1.00 0.00 H new ATOM 0 HA ALA A 27 6.213 3.420 -2.624 1.00 0.00 H new ATOM 0 HB1 ALA A 27 3.832 3.485 -3.238 1.00 0.00 H new ATOM 0 HB2 ALA A 27 4.757 4.741 -4.095 1.00 0.00 H new ATOM 0 HB3 ALA A 27 4.263 3.261 -4.950 1.00 0.00 H new ATOM 413 N LEU A 28 5.749 0.658 -4.395 1.00 0.00 N ATOM 414 CA LEU A 28 5.733 -0.770 -4.318 1.00 0.00 C ATOM 415 C LEU A 28 6.943 -1.365 -3.599 1.00 0.00 C ATOM 416 O LEU A 28 6.810 -2.346 -2.866 1.00 0.00 O ATOM 417 CB LEU A 28 5.711 -1.267 -5.768 1.00 0.00 C ATOM 418 CG LEU A 28 5.192 -2.693 -5.766 1.00 0.00 C ATOM 419 CD1 LEU A 28 3.817 -2.849 -6.369 1.00 0.00 C ATOM 420 CD2 LEU A 28 6.137 -3.695 -6.425 1.00 0.00 C ATOM 0 H LEU A 28 5.768 1.000 -5.356 1.00 0.00 H new ATOM 0 HA LEU A 28 4.866 -1.083 -3.736 1.00 0.00 H new ATOM 0 HB2 LEU A 28 5.072 -0.630 -6.380 1.00 0.00 H new ATOM 0 HB3 LEU A 28 6.711 -1.226 -6.200 1.00 0.00 H new ATOM 0 HG LEU A 28 5.128 -2.923 -4.702 1.00 0.00 H new ATOM 0 HD11 LEU A 28 3.519 -3.897 -6.329 1.00 0.00 H new ATOM 0 HD12 LEU A 28 3.103 -2.247 -5.807 1.00 0.00 H new ATOM 0 HD13 LEU A 28 3.835 -2.516 -7.407 1.00 0.00 H new ATOM 0 HD21 LEU A 28 5.697 -4.691 -6.384 1.00 0.00 H new ATOM 0 HD22 LEU A 28 6.300 -3.412 -7.465 1.00 0.00 H new ATOM 0 HD23 LEU A 28 7.090 -3.698 -5.897 1.00 0.00 H new ATOM 432 N SER A 29 8.123 -0.815 -3.858 1.00 0.00 N ATOM 433 CA SER A 29 9.354 -1.300 -3.263 1.00 0.00 C ATOM 434 C SER A 29 9.358 -1.003 -1.765 1.00 0.00 C ATOM 435 O SER A 29 9.591 -1.886 -0.937 1.00 0.00 O ATOM 436 CB SER A 29 10.562 -0.620 -3.922 1.00 0.00 C ATOM 437 OG SER A 29 11.455 -1.579 -4.459 1.00 0.00 O ATOM 0 H SER A 29 8.249 -0.021 -4.486 1.00 0.00 H new ATOM 0 HA SER A 29 9.419 -2.377 -3.420 1.00 0.00 H new ATOM 0 HB2 SER A 29 10.221 0.047 -4.713 1.00 0.00 H new ATOM 0 HB3 SER A 29 11.082 -0.005 -3.188 1.00 0.00 H new ATOM 0 HG SER A 29 12.215 -1.121 -4.875 1.00 0.00 H new ATOM 443 N GLU A 30 9.113 0.255 -1.411 1.00 0.00 N ATOM 444 CA GLU A 30 9.066 0.741 -0.041 1.00 0.00 C ATOM 445 C GLU A 30 7.982 -0.009 0.721 1.00 0.00 C ATOM 446 O GLU A 30 8.226 -0.457 1.834 1.00 0.00 O ATOM 447 CB GLU A 30 8.687 2.218 -0.082 1.00 0.00 C ATOM 448 CG GLU A 30 9.645 3.188 -0.786 1.00 0.00 C ATOM 449 CD GLU A 30 10.227 4.284 0.111 1.00 0.00 C ATOM 450 OE1 GLU A 30 10.482 4.031 1.310 1.00 0.00 O ATOM 451 OE2 GLU A 30 10.376 5.431 -0.362 1.00 0.00 O ATOM 0 H GLU A 30 8.936 0.988 -2.097 1.00 0.00 H new ATOM 0 HA GLU A 30 10.030 0.594 0.446 1.00 0.00 H new ATOM 0 HB2 GLU A 30 7.714 2.300 -0.566 1.00 0.00 H new ATOM 0 HB3 GLU A 30 8.562 2.559 0.946 1.00 0.00 H new ATOM 0 HG2 GLU A 30 10.467 2.616 -1.216 1.00 0.00 H new ATOM 0 HG3 GLU A 30 9.117 3.659 -1.615 1.00 0.00 H new ATOM 458 N ALA A 31 6.817 -0.232 0.104 1.00 0.00 N ATOM 459 CA ALA A 31 5.804 -1.163 0.568 1.00 0.00 C ATOM 460 C ALA A 31 6.438 -2.499 0.926 1.00 0.00 C ATOM 461 O ALA A 31 6.390 -2.894 2.088 1.00 0.00 O ATOM 462 CB ALA A 31 4.715 -1.302 -0.498 1.00 0.00 C ATOM 0 H ALA A 31 6.553 0.248 -0.756 1.00 0.00 H new ATOM 0 HA ALA A 31 5.336 -0.782 1.476 1.00 0.00 H new ATOM 0 HB1 ALA A 31 3.954 -2.001 -0.151 1.00 0.00 H new ATOM 0 HB2 ALA A 31 4.259 -0.329 -0.681 1.00 0.00 H new ATOM 0 HB3 ALA A 31 5.156 -1.675 -1.422 1.00 0.00 H new ATOM 468 N ARG A 32 7.052 -3.206 -0.022 1.00 0.00 N ATOM 469 CA ARG A 32 7.652 -4.515 0.243 1.00 0.00 C ATOM 470 C ARG A 32 8.695 -4.476 1.357 1.00 0.00 C ATOM 471 O ARG A 32 8.890 -5.496 2.026 1.00 0.00 O ATOM 472 CB ARG A 32 8.217 -5.084 -1.072 1.00 0.00 C ATOM 473 CG ARG A 32 7.786 -6.540 -1.295 1.00 0.00 C ATOM 474 CD ARG A 32 7.813 -6.909 -2.787 1.00 0.00 C ATOM 475 NE ARG A 32 6.837 -7.962 -3.133 1.00 0.00 N ATOM 476 CZ ARG A 32 6.840 -9.226 -2.698 1.00 0.00 C ATOM 477 NH1 ARG A 32 7.870 -9.698 -2.005 1.00 0.00 N ATOM 478 NH2 ARG A 32 5.791 -10.011 -2.926 1.00 0.00 N ATOM 0 H ARG A 32 7.148 -2.892 -0.988 1.00 0.00 H new ATOM 0 HA ARG A 32 6.874 -5.183 0.613 1.00 0.00 H new ATOM 0 HB2 ARG A 32 7.878 -4.472 -1.908 1.00 0.00 H new ATOM 0 HB3 ARG A 32 9.305 -5.026 -1.055 1.00 0.00 H new ATOM 0 HG2 ARG A 32 8.448 -7.206 -0.742 1.00 0.00 H new ATOM 0 HG3 ARG A 32 6.781 -6.689 -0.900 1.00 0.00 H new ATOM 0 HD2 ARG A 32 7.606 -6.019 -3.381 1.00 0.00 H new ATOM 0 HD3 ARG A 32 8.814 -7.245 -3.055 1.00 0.00 H new ATOM 0 HE ARG A 32 6.084 -7.698 -3.768 1.00 0.00 H new ATOM 0 HH11 ARG A 32 8.667 -9.095 -1.801 1.00 0.00 H new ATOM 0 HH12 ARG A 32 7.864 -10.664 -1.677 1.00 0.00 H new ATOM 0 HH21 ARG A 32 4.984 -9.649 -3.433 1.00 0.00 H new ATOM 0 HH22 ARG A 32 5.794 -10.975 -2.594 1.00 0.00 H new ATOM 492 N GLU A 33 9.307 -3.335 1.622 1.00 0.00 N ATOM 493 CA GLU A 33 10.186 -3.133 2.744 1.00 0.00 C ATOM 494 C GLU A 33 9.380 -2.890 4.039 1.00 0.00 C ATOM 495 O GLU A 33 9.714 -3.449 5.087 1.00 0.00 O ATOM 496 CB GLU A 33 11.138 -1.994 2.335 1.00 0.00 C ATOM 497 CG GLU A 33 11.557 -1.103 3.489 1.00 0.00 C ATOM 498 CD GLU A 33 12.908 -0.433 3.247 1.00 0.00 C ATOM 499 OE1 GLU A 33 13.089 0.339 2.277 1.00 0.00 O ATOM 500 OE2 GLU A 33 13.812 -0.766 4.051 1.00 0.00 O ATOM 0 H GLU A 33 9.198 -2.504 1.041 1.00 0.00 H new ATOM 0 HA GLU A 33 10.784 -4.012 2.984 1.00 0.00 H new ATOM 0 HB2 GLU A 33 12.029 -2.424 1.878 1.00 0.00 H new ATOM 0 HB3 GLU A 33 10.653 -1.383 1.574 1.00 0.00 H new ATOM 0 HG2 GLU A 33 10.798 -0.337 3.647 1.00 0.00 H new ATOM 0 HG3 GLU A 33 11.607 -1.696 4.402 1.00 0.00 H new ATOM 507 N HIS A 34 8.301 -2.104 3.987 1.00 0.00 N ATOM 508 CA HIS A 34 7.541 -1.648 5.137 1.00 0.00 C ATOM 509 C HIS A 34 6.700 -2.811 5.637 1.00 0.00 C ATOM 510 O HIS A 34 6.427 -2.913 6.826 1.00 0.00 O ATOM 511 CB HIS A 34 6.665 -0.436 4.784 1.00 0.00 C ATOM 512 CG HIS A 34 7.352 0.897 5.002 1.00 0.00 C ATOM 513 ND1 HIS A 34 8.510 1.343 4.403 1.00 0.00 N ATOM 514 CD2 HIS A 34 6.922 1.896 5.840 1.00 0.00 C ATOM 515 CE1 HIS A 34 8.785 2.559 4.901 1.00 0.00 C ATOM 516 NE2 HIS A 34 7.858 2.930 5.803 1.00 0.00 N ATOM 0 H HIS A 34 7.924 -1.759 3.104 1.00 0.00 H new ATOM 0 HA HIS A 34 8.221 -1.319 5.922 1.00 0.00 H new ATOM 0 HB2 HIS A 34 6.360 -0.511 3.740 1.00 0.00 H new ATOM 0 HB3 HIS A 34 5.756 -0.469 5.385 1.00 0.00 H new ATOM 0 HD2 HIS A 34 6.015 1.884 6.427 1.00 0.00 H new ATOM 0 HE1 HIS A 34 9.636 3.159 4.616 1.00 0.00 H new ATOM 0 HE2 HIS A 34 7.843 3.792 6.349 1.00 0.00 H new ATOM 524 N LEU A 35 6.352 -3.750 4.759 1.00 0.00 N ATOM 525 CA LEU A 35 5.779 -5.025 5.124 1.00 0.00 C ATOM 526 C LEU A 35 6.697 -5.760 6.089 1.00 0.00 C ATOM 527 O LEU A 35 6.238 -6.150 7.160 1.00 0.00 O ATOM 528 CB LEU A 35 5.483 -5.860 3.867 1.00 0.00 C ATOM 529 CG LEU A 35 4.061 -5.571 3.360 1.00 0.00 C ATOM 530 CD1 LEU A 35 3.937 -4.405 2.412 1.00 0.00 C ATOM 531 CD2 LEU A 35 3.460 -6.807 2.682 1.00 0.00 C ATOM 0 H LEU A 35 6.467 -3.633 3.752 1.00 0.00 H new ATOM 0 HA LEU A 35 4.831 -4.856 5.635 1.00 0.00 H new ATOM 0 HB2 LEU A 35 6.209 -5.627 3.088 1.00 0.00 H new ATOM 0 HB3 LEU A 35 5.587 -6.921 4.094 1.00 0.00 H new ATOM 0 HG LEU A 35 3.512 -5.302 4.262 1.00 0.00 H new ATOM 0 HD11 LEU A 35 2.895 -4.287 2.115 1.00 0.00 H new ATOM 0 HD12 LEU A 35 4.278 -3.496 2.907 1.00 0.00 H new ATOM 0 HD13 LEU A 35 4.548 -4.588 1.528 1.00 0.00 H new ATOM 0 HD21 LEU A 35 2.454 -6.577 2.332 1.00 0.00 H new ATOM 0 HD22 LEU A 35 4.082 -7.096 1.835 1.00 0.00 H new ATOM 0 HD23 LEU A 35 3.416 -7.629 3.397 1.00 0.00 H new ATOM 543 N LYS A 36 7.982 -5.911 5.747 1.00 0.00 N ATOM 544 CA LYS A 36 8.974 -6.551 6.601 1.00 0.00 C ATOM 545 C LYS A 36 9.140 -5.762 7.902 1.00 0.00 C ATOM 546 O LYS A 36 9.232 -6.361 8.974 1.00 0.00 O ATOM 547 CB LYS A 36 10.285 -6.691 5.797 1.00 0.00 C ATOM 548 CG LYS A 36 10.989 -8.040 6.010 1.00 0.00 C ATOM 549 CD LYS A 36 11.903 -8.091 7.243 1.00 0.00 C ATOM 550 CE LYS A 36 13.205 -7.308 7.035 1.00 0.00 C ATOM 551 NZ LYS A 36 14.224 -8.074 6.285 1.00 0.00 N ATOM 0 H LYS A 36 8.361 -5.586 4.857 1.00 0.00 H new ATOM 0 HA LYS A 36 8.654 -7.550 6.898 1.00 0.00 H new ATOM 0 HB2 LYS A 36 10.067 -6.566 4.736 1.00 0.00 H new ATOM 0 HB3 LYS A 36 10.964 -5.886 6.080 1.00 0.00 H new ATOM 0 HG2 LYS A 36 10.233 -8.820 6.101 1.00 0.00 H new ATOM 0 HG3 LYS A 36 11.581 -8.271 5.124 1.00 0.00 H new ATOM 0 HD2 LYS A 36 11.371 -7.685 8.104 1.00 0.00 H new ATOM 0 HD3 LYS A 36 12.139 -9.130 7.475 1.00 0.00 H new ATOM 0 HE2 LYS A 36 12.986 -6.384 6.500 1.00 0.00 H new ATOM 0 HE3 LYS A 36 13.612 -7.025 8.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 15.081 -7.496 6.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 14.457 -8.944 6.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 13.851 -8.322 5.347 1.00 0.00 H new ATOM 565 N ASN A 37 9.135 -4.430 7.834 1.00 0.00 N ATOM 566 CA ASN A 37 9.166 -3.549 9.007 1.00 0.00 C ATOM 567 C ASN A 37 7.862 -3.571 9.821 1.00 0.00 C ATOM 568 O ASN A 37 7.833 -3.029 10.926 1.00 0.00 O ATOM 569 CB ASN A 37 9.431 -2.107 8.567 1.00 0.00 C ATOM 570 CG ASN A 37 10.813 -1.860 8.000 1.00 0.00 C ATOM 571 OD1 ASN A 37 11.781 -2.523 8.365 1.00 0.00 O ATOM 572 ND2 ASN A 37 10.964 -0.865 7.149 1.00 0.00 N ATOM 0 H ASN A 37 9.109 -3.923 6.949 1.00 0.00 H new ATOM 0 HA ASN A 37 9.965 -3.925 9.647 1.00 0.00 H new ATOM 0 HB2 ASN A 37 8.691 -1.829 7.817 1.00 0.00 H new ATOM 0 HB3 ASN A 37 9.281 -1.448 9.422 1.00 0.00 H new ATOM 0 HD21 ASN A 37 11.891 -0.639 6.787 1.00 0.00 H new ATOM 0 HD22 ASN A 37 10.154 -0.321 6.852 1.00 0.00 H new ATOM 579 N GLY A 38 6.783 -4.141 9.279 1.00 0.00 N ATOM 580 CA GLY A 38 5.432 -4.157 9.817 1.00 0.00 C ATOM 581 C GLY A 38 4.808 -2.765 9.917 1.00 0.00 C ATOM 582 O GLY A 38 3.858 -2.562 10.669 1.00 0.00 O ATOM 0 H GLY A 38 6.841 -4.637 8.390 1.00 0.00 H new ATOM 0 HA2 GLY A 38 4.804 -4.785 9.186 1.00 0.00 H new ATOM 0 HA3 GLY A 38 5.447 -4.613 10.807 1.00 0.00 H new ATOM 586 N THR A 39 5.308 -1.792 9.168 1.00 0.00 N ATOM 587 CA THR A 39 4.844 -0.416 9.115 1.00 0.00 C ATOM 588 C THR A 39 3.902 -0.229 7.920 1.00 0.00 C ATOM 589 O THR A 39 3.997 0.755 7.194 1.00 0.00 O ATOM 590 CB THR A 39 6.083 0.501 9.082 1.00 0.00 C ATOM 591 OG1 THR A 39 7.084 -0.058 8.254 1.00 0.00 O ATOM 592 CG2 THR A 39 6.683 0.646 10.481 1.00 0.00 C ATOM 0 H THR A 39 6.098 -1.955 8.543 1.00 0.00 H new ATOM 0 HA THR A 39 4.258 -0.151 9.995 1.00 0.00 H new ATOM 0 HB THR A 39 5.762 1.471 8.702 1.00 0.00 H new ATOM 0 HG1 THR A 39 7.865 0.534 8.240 1.00 0.00 H new ATOM 0 HG21 THR A 39 7.556 1.297 10.437 1.00 0.00 H new ATOM 0 HG22 THR A 39 5.941 1.079 11.152 1.00 0.00 H new ATOM 0 HG23 THR A 39 6.980 -0.335 10.853 1.00 0.00 H new ATOM 600 N CYS A 40 2.979 -1.163 7.673 1.00 0.00 N ATOM 601 CA CYS A 40 2.070 -1.113 6.532 1.00 0.00 C ATOM 602 C CYS A 40 0.631 -1.340 7.006 1.00 0.00 C ATOM 603 O CYS A 40 0.401 -2.219 7.838 1.00 0.00 O ATOM 604 CB CYS A 40 2.557 -2.134 5.498 1.00 0.00 C ATOM 605 SG CYS A 40 1.315 -2.385 4.211 1.00 0.00 S ATOM 0 H CYS A 40 2.843 -1.981 8.267 1.00 0.00 H new ATOM 0 HA CYS A 40 2.069 -0.134 6.052 1.00 0.00 H new ATOM 0 HB2 CYS A 40 3.488 -1.788 5.049 1.00 0.00 H new ATOM 0 HB3 CYS A 40 2.774 -3.082 5.990 1.00 0.00 H new ATOM 0 HG CYS A 40 1.539 -3.514 3.606 1.00 0.00 H new ATOM 611 N GLY A 41 -0.314 -0.552 6.480 1.00 0.00 N ATOM 612 CA GLY A 41 -1.754 -0.589 6.725 1.00 0.00 C ATOM 613 C GLY A 41 -2.549 -0.670 5.414 1.00 0.00 C ATOM 614 O GLY A 41 -1.953 -0.617 4.336 1.00 0.00 O ATOM 0 H GLY A 41 -0.068 0.186 5.820 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -1.995 -1.448 7.351 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -2.053 0.302 7.278 1.00 0.00 H new ATOM 618 N LEU A 42 -3.877 -0.835 5.493 1.00 0.00 N ATOM 619 CA LEU A 42 -4.782 -1.138 4.379 1.00 0.00 C ATOM 620 C LEU A 42 -5.964 -0.175 4.332 1.00 0.00 C ATOM 621 O LEU A 42 -6.650 0.052 5.323 1.00 0.00 O ATOM 622 CB LEU A 42 -5.339 -2.570 4.518 1.00 0.00 C ATOM 623 CG LEU A 42 -6.285 -2.968 3.357 1.00 0.00 C ATOM 624 CD1 LEU A 42 -5.489 -3.252 2.080 1.00 0.00 C ATOM 625 CD2 LEU A 42 -7.136 -4.190 3.694 1.00 0.00 C ATOM 0 H LEU A 42 -4.372 -0.756 6.381 1.00 0.00 H new ATOM 0 HA LEU A 42 -4.201 -1.037 3.462 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -4.508 -3.274 4.560 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -5.877 -2.655 5.462 1.00 0.00 H new ATOM 0 HG LEU A 42 -6.951 -2.120 3.199 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -6.174 -3.529 1.279 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -4.935 -2.359 1.791 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -4.791 -4.070 2.260 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -7.781 -4.428 2.849 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -6.486 -5.039 3.905 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -7.749 -3.976 4.570 1.00 0.00 H new ATOM 637 N VAL A 43 -6.308 0.256 3.128 1.00 0.00 N ATOM 638 CA VAL A 43 -7.395 1.159 2.832 1.00 0.00 C ATOM 639 C VAL A 43 -8.414 0.412 1.980 1.00 0.00 C ATOM 640 O VAL A 43 -8.070 -0.128 0.924 1.00 0.00 O ATOM 641 CB VAL A 43 -6.814 2.377 2.103 1.00 0.00 C ATOM 642 CG1 VAL A 43 -7.924 3.404 1.833 1.00 0.00 C ATOM 643 CG2 VAL A 43 -5.691 3.043 2.906 1.00 0.00 C ATOM 0 H VAL A 43 -5.805 -0.034 2.290 1.00 0.00 H new ATOM 0 HA VAL A 43 -7.898 1.508 3.734 1.00 0.00 H new ATOM 0 HB VAL A 43 -6.393 2.024 1.162 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -7.504 4.266 1.315 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -8.697 2.950 1.213 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -8.360 3.726 2.779 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -5.308 3.901 2.353 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -6.080 3.376 3.868 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -4.885 2.327 3.068 1.00 0.00 H new ATOM 653 N GLU A 44 -9.674 0.392 2.417 1.00 0.00 N ATOM 654 CA GLU A 44 -10.795 -0.058 1.602 1.00 0.00 C ATOM 655 C GLU A 44 -10.908 0.872 0.393 1.00 0.00 C ATOM 656 O GLU A 44 -10.959 2.098 0.547 1.00 0.00 O ATOM 657 CB GLU A 44 -12.105 0.012 2.392 1.00 0.00 C ATOM 658 CG GLU A 44 -12.155 -0.887 3.634 1.00 0.00 C ATOM 659 CD GLU A 44 -13.399 -0.571 4.466 1.00 0.00 C ATOM 660 OE1 GLU A 44 -13.549 0.588 4.916 1.00 0.00 O ATOM 661 OE2 GLU A 44 -14.211 -1.488 4.741 1.00 0.00 O ATOM 0 H GLU A 44 -9.944 0.691 3.354 1.00 0.00 H new ATOM 0 HA GLU A 44 -10.623 -1.090 1.297 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -12.272 1.044 2.701 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -12.927 -0.260 1.730 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -12.166 -1.935 3.333 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -11.259 -0.738 4.236 1.00 0.00 H new ATOM 668 N LEU A 45 -10.909 0.313 -0.813 1.00 0.00 N ATOM 669 CA LEU A 45 -11.045 1.118 -2.023 1.00 0.00 C ATOM 670 C LEU A 45 -12.466 1.620 -2.210 1.00 0.00 C ATOM 671 O LEU A 45 -13.436 0.875 -2.049 1.00 0.00 O ATOM 672 CB LEU A 45 -10.617 0.306 -3.252 1.00 0.00 C ATOM 673 CG LEU A 45 -9.120 0.482 -3.535 1.00 0.00 C ATOM 674 CD1 LEU A 45 -8.624 -0.722 -4.327 1.00 0.00 C ATOM 675 CD2 LEU A 45 -8.867 1.790 -4.300 1.00 0.00 C ATOM 0 H LEU A 45 -10.818 -0.689 -0.979 1.00 0.00 H new ATOM 0 HA LEU A 45 -10.394 1.985 -1.913 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -10.838 -0.749 -3.090 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -11.194 0.623 -4.120 1.00 0.00 H new ATOM 0 HG LEU A 45 -8.572 0.542 -2.595 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -7.560 -0.608 -4.534 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -8.785 -1.631 -3.747 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -9.172 -0.790 -5.267 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -7.800 1.898 -4.492 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -9.406 1.768 -5.247 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -9.216 2.633 -3.704 1.00 0.00 H new ATOM 687 N GLU A 46 -12.574 2.891 -2.586 1.00 0.00 N ATOM 688 CA GLU A 46 -13.816 3.619 -2.598 1.00 0.00 C ATOM 689 C GLU A 46 -13.836 4.733 -3.654 1.00 0.00 C ATOM 690 O GLU A 46 -12.822 5.006 -4.307 1.00 0.00 O ATOM 691 CB GLU A 46 -13.967 4.174 -1.182 1.00 0.00 C ATOM 692 CG GLU A 46 -15.208 3.630 -0.518 1.00 0.00 C ATOM 693 CD GLU A 46 -16.435 4.288 -1.135 1.00 0.00 C ATOM 694 OE1 GLU A 46 -16.920 3.751 -2.158 1.00 0.00 O ATOM 695 OE2 GLU A 46 -16.789 5.425 -0.754 1.00 0.00 O ATOM 0 H GLU A 46 -11.776 3.446 -2.896 1.00 0.00 H new ATOM 0 HA GLU A 46 -14.649 2.972 -2.872 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -13.090 3.914 -0.590 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -14.016 5.262 -1.217 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -15.258 2.549 -0.644 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -15.176 3.825 0.554 1.00 0.00 H new ATOM 702 N LYS A 47 -15.004 5.370 -3.819 1.00 0.00 N ATOM 703 CA LYS A 47 -15.314 6.346 -4.860 1.00 0.00 C ATOM 704 C LYS A 47 -14.427 7.572 -4.664 1.00 0.00 C ATOM 705 O LYS A 47 -13.472 7.776 -5.416 1.00 0.00 O ATOM 706 CB LYS A 47 -16.826 6.677 -4.822 1.00 0.00 C ATOM 707 CG LYS A 47 -17.366 7.328 -6.112 1.00 0.00 C ATOM 708 CD LYS A 47 -18.128 6.317 -6.986 1.00 0.00 C ATOM 709 CE LYS A 47 -18.668 6.895 -8.302 1.00 0.00 C ATOM 710 NZ LYS A 47 -19.793 7.839 -8.121 1.00 0.00 N ATOM 0 H LYS A 47 -15.795 5.206 -3.196 1.00 0.00 H new ATOM 0 HA LYS A 47 -15.104 5.946 -5.852 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -17.382 5.759 -4.632 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -17.019 7.346 -3.983 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -18.027 8.155 -5.853 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -16.537 7.749 -6.681 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -17.466 5.482 -7.215 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -18.962 5.914 -6.411 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -17.858 7.405 -8.824 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -18.993 6.075 -8.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -20.106 8.188 -9.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -20.582 7.352 -7.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -19.483 8.641 -7.536 1.00 0.00 H new ATOM 724 N GLY A 48 -14.673 8.335 -3.608 1.00 0.00 N ATOM 725 CA GLY A 48 -13.947 9.539 -3.269 1.00 0.00 C ATOM 726 C GLY A 48 -12.686 9.248 -2.473 1.00 0.00 C ATOM 727 O GLY A 48 -12.323 10.052 -1.627 1.00 0.00 O ATOM 0 H GLY A 48 -15.414 8.119 -2.941 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -13.682 10.070 -4.183 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -14.594 10.200 -2.692 1.00 0.00 H new ATOM 731 N VAL A 49 -11.995 8.137 -2.730 1.00 0.00 N ATOM 732 CA VAL A 49 -10.724 7.823 -2.085 1.00 0.00 C ATOM 733 C VAL A 49 -9.586 8.102 -3.064 1.00 0.00 C ATOM 734 O VAL A 49 -8.753 8.965 -2.800 1.00 0.00 O ATOM 735 CB VAL A 49 -10.797 6.375 -1.559 1.00 0.00 C ATOM 736 CG1 VAL A 49 -9.455 5.692 -1.296 1.00 0.00 C ATOM 737 CG2 VAL A 49 -11.568 6.332 -0.240 1.00 0.00 C ATOM 0 H VAL A 49 -12.304 7.428 -3.395 1.00 0.00 H new ATOM 0 HA VAL A 49 -10.522 8.454 -1.219 1.00 0.00 H new ATOM 0 HB VAL A 49 -11.288 5.834 -2.368 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -9.627 4.680 -0.930 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -8.881 5.650 -2.221 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -8.899 6.258 -0.549 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -11.613 5.305 0.122 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -11.062 6.955 0.498 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -12.580 6.706 -0.398 1.00 0.00 H new ATOM 747 N LEU A 50 -9.575 7.417 -4.212 1.00 0.00 N ATOM 748 CA LEU A 50 -8.600 7.595 -5.294 1.00 0.00 C ATOM 749 C LEU A 50 -8.353 9.073 -5.645 1.00 0.00 C ATOM 750 O LEU A 50 -7.184 9.461 -5.664 1.00 0.00 O ATOM 751 CB LEU A 50 -9.067 6.810 -6.528 1.00 0.00 C ATOM 752 CG LEU A 50 -8.711 5.303 -6.594 1.00 0.00 C ATOM 753 CD1 LEU A 50 -8.637 4.845 -8.058 1.00 0.00 C ATOM 754 CD2 LEU A 50 -7.406 4.893 -5.900 1.00 0.00 C ATOM 0 H LEU A 50 -10.268 6.699 -4.421 1.00 0.00 H new ATOM 0 HA LEU A 50 -7.643 7.207 -4.945 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -10.151 6.903 -6.595 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -8.650 7.293 -7.412 1.00 0.00 H new ATOM 0 HG LEU A 50 -9.515 4.814 -6.044 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -8.386 3.785 -8.095 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -9.602 5.007 -8.539 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -7.870 5.418 -8.580 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -7.258 3.819 -6.009 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -6.570 5.423 -6.356 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -7.462 5.146 -4.841 1.00 0.00 H new ATOM 766 N PRO A 51 -9.373 9.933 -5.857 1.00 0.00 N ATOM 767 CA PRO A 51 -9.135 11.320 -6.246 1.00 0.00 C ATOM 768 C PRO A 51 -8.517 12.191 -5.134 1.00 0.00 C ATOM 769 O PRO A 51 -8.315 13.379 -5.380 1.00 0.00 O ATOM 770 CB PRO A 51 -10.491 11.850 -6.728 1.00 0.00 C ATOM 771 CG PRO A 51 -11.503 11.017 -5.956 1.00 0.00 C ATOM 772 CD PRO A 51 -10.808 9.668 -5.818 1.00 0.00 C ATOM 0 HA PRO A 51 -8.381 11.366 -7.032 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -10.603 12.913 -6.516 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -10.609 11.726 -7.804 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -11.728 11.456 -4.984 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -12.447 10.931 -6.493 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -11.087 9.182 -4.883 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -11.100 8.997 -6.626 1.00 0.00 H new ATOM 780 N GLN A 52 -8.233 11.628 -3.949 1.00 0.00 N ATOM 781 CA GLN A 52 -7.620 12.281 -2.789 1.00 0.00 C ATOM 782 C GLN A 52 -6.336 11.582 -2.327 1.00 0.00 C ATOM 783 O GLN A 52 -5.733 11.969 -1.319 1.00 0.00 O ATOM 784 CB GLN A 52 -8.579 12.249 -1.598 1.00 0.00 C ATOM 785 CG GLN A 52 -10.048 12.484 -1.929 1.00 0.00 C ATOM 786 CD GLN A 52 -10.757 12.815 -0.633 1.00 0.00 C ATOM 787 OE1 GLN A 52 -10.890 13.991 -0.294 1.00 0.00 O ATOM 788 NE2 GLN A 52 -11.139 11.801 0.119 1.00 0.00 N ATOM 0 H GLN A 52 -8.439 10.646 -3.768 1.00 0.00 H new ATOM 0 HA GLN A 52 -7.391 13.298 -3.107 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -8.486 11.281 -1.106 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -8.262 13.004 -0.879 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -10.155 13.300 -2.644 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -10.484 11.598 -2.390 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -11.006 10.844 -0.209 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -11.567 11.973 1.028 1.00 0.00 H new ATOM 797 N LEU A 53 -5.980 10.488 -2.989 1.00 0.00 N ATOM 798 CA LEU A 53 -4.712 9.798 -2.842 1.00 0.00 C ATOM 799 C LEU A 53 -3.666 10.544 -3.648 1.00 0.00 C ATOM 800 O LEU A 53 -3.964 11.532 -4.324 1.00 0.00 O ATOM 801 CB LEU A 53 -4.916 8.346 -3.298 1.00 0.00 C ATOM 802 CG LEU A 53 -5.442 7.516 -2.142 1.00 0.00 C ATOM 803 CD1 LEU A 53 -6.374 6.373 -2.503 1.00 0.00 C ATOM 804 CD2 LEU A 53 -4.242 6.951 -1.416 1.00 0.00 C ATOM 0 H LEU A 53 -6.595 10.042 -3.670 1.00 0.00 H new ATOM 0 HA LEU A 53 -4.360 9.774 -1.811 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -5.617 8.312 -4.132 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -3.974 7.932 -3.657 1.00 0.00 H new ATOM 0 HG LEU A 53 -6.053 8.188 -1.539 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -6.683 5.855 -1.595 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -7.253 6.767 -3.012 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -5.856 5.675 -3.161 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -4.578 6.345 -0.574 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -3.661 6.332 -2.100 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -3.620 7.768 -1.050 1.00 0.00 H new ATOM 816 N GLU A 54 -2.441 10.054 -3.540 1.00 0.00 N ATOM 817 CA GLU A 54 -1.305 10.463 -4.343 1.00 0.00 C ATOM 818 C GLU A 54 -1.567 9.959 -5.760 1.00 0.00 C ATOM 819 O GLU A 54 -2.433 10.494 -6.453 1.00 0.00 O ATOM 820 CB GLU A 54 0.049 10.129 -3.701 1.00 0.00 C ATOM 821 CG GLU A 54 -0.059 9.323 -2.437 1.00 0.00 C ATOM 822 CD GLU A 54 -0.381 7.873 -2.822 1.00 0.00 C ATOM 823 OE1 GLU A 54 0.510 7.158 -3.327 1.00 0.00 O ATOM 824 OE2 GLU A 54 -1.571 7.504 -2.754 1.00 0.00 O ATOM 0 H GLU A 54 -2.204 9.330 -2.861 1.00 0.00 H new ATOM 0 HA GLU A 54 -1.209 11.547 -4.400 1.00 0.00 H new ATOM 0 HB2 GLU A 54 0.655 9.579 -4.421 1.00 0.00 H new ATOM 0 HB3 GLU A 54 0.576 11.058 -3.484 1.00 0.00 H new ATOM 0 HG2 GLU A 54 0.874 9.369 -1.875 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -0.839 9.728 -1.793 1.00 0.00 H new ATOM 831 N GLN A 55 -0.890 8.897 -6.177 1.00 0.00 N ATOM 832 CA GLN A 55 -0.878 8.474 -7.564 1.00 0.00 C ATOM 833 C GLN A 55 -0.445 7.016 -7.693 1.00 0.00 C ATOM 834 O GLN A 55 -1.278 6.241 -8.149 1.00 0.00 O ATOM 835 CB GLN A 55 -0.003 9.419 -8.404 1.00 0.00 C ATOM 836 CG GLN A 55 -0.793 10.611 -8.983 1.00 0.00 C ATOM 837 CD GLN A 55 -0.396 10.988 -10.403 1.00 0.00 C ATOM 838 OE1 GLN A 55 -0.058 12.127 -10.706 1.00 0.00 O ATOM 839 NE2 GLN A 55 -0.527 10.053 -11.324 1.00 0.00 N ATOM 0 H GLN A 55 -0.334 8.306 -5.559 1.00 0.00 H new ATOM 0 HA GLN A 55 -1.894 8.533 -7.956 1.00 0.00 H new ATOM 0 HB2 GLN A 55 0.813 9.795 -7.787 1.00 0.00 H new ATOM 0 HB3 GLN A 55 0.449 8.857 -9.222 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -1.856 10.371 -8.966 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -0.651 11.476 -8.336 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -0.809 9.110 -11.057 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -0.346 10.273 -12.303 1.00 0.00 H new ATOM 848 N PRO A 56 0.791 6.591 -7.352 1.00 0.00 N ATOM 849 CA PRO A 56 1.165 5.193 -7.505 1.00 0.00 C ATOM 850 C PRO A 56 0.475 4.358 -6.430 1.00 0.00 C ATOM 851 O PRO A 56 1.068 4.040 -5.400 1.00 0.00 O ATOM 852 CB PRO A 56 2.690 5.154 -7.451 1.00 0.00 C ATOM 853 CG PRO A 56 3.083 6.390 -6.657 1.00 0.00 C ATOM 854 CD PRO A 56 1.948 7.377 -6.929 1.00 0.00 C ATOM 0 HA PRO A 56 0.841 4.759 -8.451 1.00 0.00 H new ATOM 0 HB2 PRO A 56 3.045 4.244 -6.968 1.00 0.00 H new ATOM 0 HB3 PRO A 56 3.122 5.173 -8.452 1.00 0.00 H new ATOM 0 HG2 PRO A 56 3.174 6.169 -5.593 1.00 0.00 H new ATOM 0 HG3 PRO A 56 4.044 6.786 -6.984 1.00 0.00 H new ATOM 0 HD2 PRO A 56 1.716 7.954 -6.034 1.00 0.00 H new ATOM 0 HD3 PRO A 56 2.234 8.090 -7.703 1.00 0.00 H new ATOM 862 N TYR A 57 -0.778 3.992 -6.678 1.00 0.00 N ATOM 863 CA TYR A 57 -1.651 3.430 -5.662 1.00 0.00 C ATOM 864 C TYR A 57 -1.247 1.967 -5.490 1.00 0.00 C ATOM 865 O TYR A 57 -1.437 1.165 -6.408 1.00 0.00 O ATOM 866 CB TYR A 57 -3.127 3.540 -6.087 1.00 0.00 C ATOM 867 CG TYR A 57 -3.638 4.902 -6.541 1.00 0.00 C ATOM 868 CD1 TYR A 57 -3.503 6.043 -5.724 1.00 0.00 C ATOM 869 CD2 TYR A 57 -4.272 5.022 -7.796 1.00 0.00 C ATOM 870 CE1 TYR A 57 -3.959 7.294 -6.190 1.00 0.00 C ATOM 871 CE2 TYR A 57 -4.714 6.274 -8.265 1.00 0.00 C ATOM 872 CZ TYR A 57 -4.529 7.428 -7.472 1.00 0.00 C ATOM 873 OH TYR A 57 -4.890 8.663 -7.931 1.00 0.00 O ATOM 0 H TYR A 57 -1.216 4.079 -7.595 1.00 0.00 H new ATOM 0 HA TYR A 57 -1.550 3.974 -4.723 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -3.295 2.832 -6.899 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -3.742 3.215 -5.248 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -3.053 5.960 -4.746 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -4.420 4.142 -8.405 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -3.870 8.163 -5.554 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -5.194 6.352 -9.230 1.00 0.00 H new ATOM 0 HH TYR A 57 -5.593 9.032 -7.357 1.00 0.00 H new ATOM 883 N VAL A 58 -0.616 1.635 -4.361 1.00 0.00 N ATOM 884 CA VAL A 58 -0.090 0.302 -4.095 1.00 0.00 C ATOM 885 C VAL A 58 -1.255 -0.629 -3.737 1.00 0.00 C ATOM 886 O VAL A 58 -1.651 -0.738 -2.578 1.00 0.00 O ATOM 887 CB VAL A 58 1.018 0.335 -3.024 1.00 0.00 C ATOM 888 CG1 VAL A 58 1.643 -1.057 -2.893 1.00 0.00 C ATOM 889 CG2 VAL A 58 2.147 1.306 -3.390 1.00 0.00 C ATOM 0 H VAL A 58 -0.456 2.295 -3.600 1.00 0.00 H new ATOM 0 HA VAL A 58 0.392 -0.093 -4.990 1.00 0.00 H new ATOM 0 HB VAL A 58 0.551 0.661 -2.094 1.00 0.00 H new ATOM 0 HG11 VAL A 58 2.427 -1.034 -2.136 1.00 0.00 H new ATOM 0 HG12 VAL A 58 0.876 -1.774 -2.600 1.00 0.00 H new ATOM 0 HG13 VAL A 58 2.072 -1.355 -3.850 1.00 0.00 H new ATOM 0 HG21 VAL A 58 2.904 1.295 -2.606 1.00 0.00 H new ATOM 0 HG22 VAL A 58 2.598 1.001 -4.334 1.00 0.00 H new ATOM 0 HG23 VAL A 58 1.743 2.313 -3.490 1.00 0.00 H new ATOM 899 N PHE A 59 -1.837 -1.288 -4.733 1.00 0.00 N ATOM 900 CA PHE A 59 -2.970 -2.184 -4.587 1.00 0.00 C ATOM 901 C PHE A 59 -2.566 -3.551 -4.079 1.00 0.00 C ATOM 902 O PHE A 59 -1.409 -3.963 -4.143 1.00 0.00 O ATOM 903 CB PHE A 59 -3.619 -2.373 -5.959 1.00 0.00 C ATOM 904 CG PHE A 59 -4.157 -1.134 -6.620 1.00 0.00 C ATOM 905 CD1 PHE A 59 -5.176 -0.418 -5.986 1.00 0.00 C ATOM 906 CD2 PHE A 59 -3.652 -0.698 -7.855 1.00 0.00 C ATOM 907 CE1 PHE A 59 -5.678 0.762 -6.553 1.00 0.00 C ATOM 908 CE2 PHE A 59 -4.192 0.456 -8.448 1.00 0.00 C ATOM 909 CZ PHE A 59 -5.202 1.189 -7.802 1.00 0.00 C ATOM 0 H PHE A 59 -1.518 -1.207 -5.698 1.00 0.00 H new ATOM 0 HA PHE A 59 -3.651 -1.736 -3.863 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -2.884 -2.824 -6.626 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -4.436 -3.087 -5.855 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -5.580 -0.777 -5.051 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -2.858 -1.243 -8.344 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -6.427 1.339 -6.031 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -3.827 0.783 -9.410 1.00 0.00 H new ATOM 0 HZ PHE A 59 -5.610 2.076 -8.264 1.00 0.00 H new ATOM 919 N ILE A 60 -3.594 -4.277 -3.644 1.00 0.00 N ATOM 920 CA ILE A 60 -3.513 -5.681 -3.318 1.00 0.00 C ATOM 921 C ILE A 60 -4.561 -6.437 -4.121 1.00 0.00 C ATOM 922 O ILE A 60 -5.756 -6.154 -4.024 1.00 0.00 O ATOM 923 CB ILE A 60 -3.592 -5.911 -1.802 1.00 0.00 C ATOM 924 CG1 ILE A 60 -4.937 -5.587 -1.121 1.00 0.00 C ATOM 925 CG2 ILE A 60 -2.443 -5.173 -1.129 1.00 0.00 C ATOM 926 CD1 ILE A 60 -5.085 -6.133 0.304 1.00 0.00 C ATOM 0 H ILE A 60 -4.526 -3.886 -3.508 1.00 0.00 H new ATOM 0 HA ILE A 60 -2.539 -6.079 -3.604 1.00 0.00 H new ATOM 0 HB ILE A 60 -3.508 -6.990 -1.670 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -5.063 -4.505 -1.095 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -5.744 -5.988 -1.734 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -2.491 -5.331 -0.052 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -1.495 -5.552 -1.509 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -2.520 -4.107 -1.344 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -6.062 -5.855 0.700 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -4.995 -7.219 0.289 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -4.304 -5.713 0.937 1.00 0.00 H new ATOM 938 N LYS A 61 -4.127 -7.378 -4.954 1.00 0.00 N ATOM 939 CA LYS A 61 -4.999 -8.152 -5.841 1.00 0.00 C ATOM 940 C LYS A 61 -4.822 -9.640 -5.596 1.00 0.00 C ATOM 941 O LYS A 61 -3.730 -10.054 -5.227 1.00 0.00 O ATOM 942 CB LYS A 61 -4.713 -7.765 -7.307 1.00 0.00 C ATOM 943 CG LYS A 61 -3.219 -7.620 -7.658 1.00 0.00 C ATOM 944 CD LYS A 61 -2.696 -8.467 -8.837 1.00 0.00 C ATOM 945 CE LYS A 61 -3.309 -8.081 -10.162 1.00 0.00 C ATOM 946 NZ LYS A 61 -2.656 -8.812 -11.274 1.00 0.00 N ATOM 0 H LYS A 61 -3.142 -7.631 -5.035 1.00 0.00 H new ATOM 0 HA LYS A 61 -6.042 -7.918 -5.628 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -5.153 -8.519 -7.960 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -5.216 -6.823 -7.524 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -3.022 -6.571 -7.880 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -2.636 -7.873 -6.773 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -1.613 -8.361 -8.900 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -2.903 -9.519 -8.641 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -4.376 -8.301 -10.153 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -3.207 -7.007 -10.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -3.092 -8.533 -12.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -1.642 -8.581 -11.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -2.776 -9.836 -11.134 1.00 0.00 H new ATOM 960 N ARG A 62 -5.896 -10.434 -5.729 1.00 0.00 N ATOM 961 CA ARG A 62 -6.020 -11.808 -5.172 1.00 0.00 C ATOM 962 C ARG A 62 -5.148 -12.921 -5.788 1.00 0.00 C ATOM 963 O ARG A 62 -5.471 -14.109 -5.699 1.00 0.00 O ATOM 964 CB ARG A 62 -7.489 -12.242 -5.011 1.00 0.00 C ATOM 965 CG ARG A 62 -8.479 -11.676 -6.032 1.00 0.00 C ATOM 966 CD ARG A 62 -9.701 -12.595 -6.162 1.00 0.00 C ATOM 967 NE ARG A 62 -10.976 -11.896 -6.396 1.00 0.00 N ATOM 968 CZ ARG A 62 -12.103 -12.474 -6.842 1.00 0.00 C ATOM 969 NH1 ARG A 62 -12.113 -13.734 -7.279 1.00 0.00 N ATOM 970 NH2 ARG A 62 -13.238 -11.784 -6.809 1.00 0.00 N ATOM 0 H ARG A 62 -6.729 -10.139 -6.239 1.00 0.00 H new ATOM 0 HA ARG A 62 -5.571 -11.690 -4.186 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -7.532 -13.330 -5.060 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -7.823 -11.954 -4.014 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -8.797 -10.680 -5.725 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -7.991 -11.571 -7.001 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -9.529 -13.292 -6.982 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -9.790 -13.189 -5.253 1.00 0.00 H new ATOM 0 HE ARG A 62 -11.005 -10.895 -6.204 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -11.252 -14.281 -7.279 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -12.982 -14.151 -7.613 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -13.244 -10.830 -6.449 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -14.103 -12.209 -7.144 1.00 0.00 H new ATOM 984 N SER A 63 -4.023 -12.565 -6.378 1.00 0.00 N ATOM 985 CA SER A 63 -3.135 -13.425 -7.147 1.00 0.00 C ATOM 986 C SER A 63 -3.831 -13.937 -8.418 1.00 0.00 C ATOM 987 O SER A 63 -5.024 -13.714 -8.652 1.00 0.00 O ATOM 988 CB SER A 63 -2.562 -14.556 -6.272 1.00 0.00 C ATOM 989 OG SER A 63 -1.394 -15.121 -6.843 1.00 0.00 O ATOM 0 H SER A 63 -3.680 -11.605 -6.332 1.00 0.00 H new ATOM 0 HA SER A 63 -2.281 -12.836 -7.480 1.00 0.00 H new ATOM 0 HB2 SER A 63 -2.331 -14.167 -5.280 1.00 0.00 H new ATOM 0 HB3 SER A 63 -3.316 -15.333 -6.142 1.00 0.00 H new ATOM 0 HG SER A 63 -1.148 -15.932 -6.350 1.00 0.00 H new ATOM 1116 N LYS A 73 -8.067 -16.064 0.755 1.00 0.00 N ATOM 1117 CA LYS A 73 -8.026 -14.821 -0.011 1.00 0.00 C ATOM 1118 C LYS A 73 -6.662 -14.161 0.170 1.00 0.00 C ATOM 1119 O LYS A 73 -6.515 -13.122 0.817 1.00 0.00 O ATOM 1120 CB LYS A 73 -9.233 -13.927 0.316 1.00 0.00 C ATOM 1121 CG LYS A 73 -10.512 -14.714 -0.023 1.00 0.00 C ATOM 1122 CD LYS A 73 -11.679 -13.876 -0.538 1.00 0.00 C ATOM 1123 CE LYS A 73 -12.347 -13.033 0.548 1.00 0.00 C ATOM 1124 NZ LYS A 73 -13.643 -12.496 0.082 1.00 0.00 N ATOM 0 HA LYS A 73 -8.126 -15.024 -1.077 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -9.226 -13.647 1.369 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -9.190 -13.003 -0.260 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -10.268 -15.466 -0.773 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -10.837 -15.249 0.870 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -11.322 -13.218 -1.330 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -12.423 -14.537 -0.983 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -12.501 -13.639 1.441 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -11.689 -12.211 0.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -14.075 -11.928 0.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -13.490 -11.899 -0.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -14.276 -13.283 -0.165 1.00 0.00 H new ATOM 1138 N VAL A 74 -5.659 -14.816 -0.412 1.00 0.00 N ATOM 1139 CA VAL A 74 -4.326 -14.284 -0.603 1.00 0.00 C ATOM 1140 C VAL A 74 -4.428 -13.014 -1.448 1.00 0.00 C ATOM 1141 O VAL A 74 -5.435 -12.793 -2.124 1.00 0.00 O ATOM 1142 CB VAL A 74 -3.404 -15.359 -1.239 1.00 0.00 C ATOM 1143 CG1 VAL A 74 -3.680 -16.801 -0.756 1.00 0.00 C ATOM 1144 CG2 VAL A 74 -3.495 -15.401 -2.763 1.00 0.00 C ATOM 0 H VAL A 74 -5.764 -15.764 -0.773 1.00 0.00 H new ATOM 0 HA VAL A 74 -3.873 -14.020 0.353 1.00 0.00 H new ATOM 0 HB VAL A 74 -2.415 -15.040 -0.911 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -2.992 -17.488 -1.249 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -3.537 -16.857 0.323 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -4.706 -17.077 -1.001 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -2.827 -16.172 -3.146 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -4.519 -15.627 -3.060 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -3.204 -14.433 -3.172 1.00 0.00 H new ATOM 1154 N VAL A 75 -3.352 -12.237 -1.476 1.00 0.00 N ATOM 1155 CA VAL A 75 -3.134 -11.176 -2.443 1.00 0.00 C ATOM 1156 C VAL A 75 -1.651 -11.144 -2.802 1.00 0.00 C ATOM 1157 O VAL A 75 -0.859 -11.955 -2.303 1.00 0.00 O ATOM 1158 CB VAL A 75 -3.626 -9.814 -1.912 1.00 0.00 C ATOM 1159 CG1 VAL A 75 -5.145 -9.714 -1.867 1.00 0.00 C ATOM 1160 CG2 VAL A 75 -3.065 -9.503 -0.522 1.00 0.00 C ATOM 0 H VAL A 75 -2.588 -12.333 -0.807 1.00 0.00 H new ATOM 0 HA VAL A 75 -3.717 -11.377 -3.342 1.00 0.00 H new ATOM 0 HB VAL A 75 -3.252 -9.078 -2.623 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -5.434 -8.735 -1.485 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -5.548 -9.846 -2.871 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -5.541 -10.490 -1.212 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -3.438 -8.535 -0.188 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -3.381 -10.275 0.179 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -1.976 -9.477 -0.567 1.00 0.00 H new ATOM 1170 N GLU A 76 -1.292 -10.185 -3.647 1.00 0.00 N ATOM 1171 CA GLU A 76 0.058 -9.748 -3.898 1.00 0.00 C ATOM 1172 C GLU A 76 0.029 -8.241 -4.109 1.00 0.00 C ATOM 1173 O GLU A 76 -1.034 -7.657 -4.350 1.00 0.00 O ATOM 1174 CB GLU A 76 0.638 -10.452 -5.127 1.00 0.00 C ATOM 1175 CG GLU A 76 1.689 -11.474 -4.701 1.00 0.00 C ATOM 1176 CD GLU A 76 3.105 -10.911 -4.475 1.00 0.00 C ATOM 1177 OE1 GLU A 76 3.320 -9.688 -4.280 1.00 0.00 O ATOM 1178 OE2 GLU A 76 4.043 -11.737 -4.521 1.00 0.00 O ATOM 0 H GLU A 76 -1.978 -9.670 -4.200 1.00 0.00 H new ATOM 0 HA GLU A 76 0.695 -9.999 -3.050 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -0.159 -10.948 -5.681 1.00 0.00 H new ATOM 0 HB3 GLU A 76 1.084 -9.719 -5.799 1.00 0.00 H new ATOM 0 HG2 GLU A 76 1.355 -11.951 -3.780 1.00 0.00 H new ATOM 0 HG3 GLU A 76 1.743 -12.253 -5.462 1.00 0.00 H new ATOM 1185 N LEU A 77 1.212 -7.643 -4.037 1.00 0.00 N ATOM 1186 CA LEU A 77 1.465 -6.230 -4.254 1.00 0.00 C ATOM 1187 C LEU A 77 1.362 -5.918 -5.743 1.00 0.00 C ATOM 1188 O LEU A 77 1.943 -6.627 -6.570 1.00 0.00 O ATOM 1189 CB LEU A 77 2.887 -5.910 -3.758 1.00 0.00 C ATOM 1190 CG LEU A 77 2.919 -5.656 -2.242 1.00 0.00 C ATOM 1191 CD1 LEU A 77 4.297 -5.981 -1.669 1.00 0.00 C ATOM 1192 CD2 LEU A 77 2.590 -4.196 -1.931 1.00 0.00 C ATOM 0 H LEU A 77 2.062 -8.160 -3.814 1.00 0.00 H new ATOM 0 HA LEU A 77 0.734 -5.629 -3.713 1.00 0.00 H new ATOM 0 HB2 LEU A 77 3.552 -6.738 -4.002 1.00 0.00 H new ATOM 0 HB3 LEU A 77 3.266 -5.032 -4.282 1.00 0.00 H new ATOM 0 HG LEU A 77 2.171 -6.304 -1.785 1.00 0.00 H new ATOM 0 HD11 LEU A 77 4.298 -5.794 -0.595 1.00 0.00 H new ATOM 0 HD12 LEU A 77 4.530 -7.029 -1.855 1.00 0.00 H new ATOM 0 HD13 LEU A 77 5.048 -5.352 -2.147 1.00 0.00 H new ATOM 0 HD21 LEU A 77 2.618 -4.038 -0.853 1.00 0.00 H new ATOM 0 HD22 LEU A 77 3.322 -3.548 -2.412 1.00 0.00 H new ATOM 0 HD23 LEU A 77 1.594 -3.959 -2.306 1.00 0.00 H new ATOM 1204 N VAL A 78 0.691 -4.819 -6.074 1.00 0.00 N ATOM 1205 CA VAL A 78 0.765 -4.135 -7.360 1.00 0.00 C ATOM 1206 C VAL A 78 0.811 -2.648 -7.044 1.00 0.00 C ATOM 1207 O VAL A 78 0.457 -2.236 -5.946 1.00 0.00 O ATOM 1208 CB VAL A 78 -0.449 -4.485 -8.238 1.00 0.00 C ATOM 1209 CG1 VAL A 78 -0.524 -3.844 -9.619 1.00 0.00 C ATOM 1210 CG2 VAL A 78 -0.510 -5.977 -8.506 1.00 0.00 C ATOM 0 H VAL A 78 0.052 -4.361 -5.424 1.00 0.00 H new ATOM 0 HA VAL A 78 1.646 -4.441 -7.925 1.00 0.00 H new ATOM 0 HB VAL A 78 -1.269 -4.092 -7.638 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -1.429 -4.178 -10.127 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -0.545 -2.759 -9.516 1.00 0.00 H new ATOM 0 HG13 VAL A 78 0.349 -4.136 -10.203 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -1.377 -6.200 -9.129 1.00 0.00 H new ATOM 0 HG22 VAL A 78 0.398 -6.292 -9.021 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -0.595 -6.513 -7.561 1.00 0.00 H new ATOM 1220 N ALA A 79 1.228 -1.848 -8.007 1.00 0.00 N ATOM 1221 CA ALA A 79 1.158 -0.395 -7.983 1.00 0.00 C ATOM 1222 C ALA A 79 0.741 0.061 -9.384 1.00 0.00 C ATOM 1223 O ALA A 79 1.158 -0.555 -10.370 1.00 0.00 O ATOM 1224 CB ALA A 79 2.522 0.168 -7.558 1.00 0.00 C ATOM 0 H ALA A 79 1.644 -2.207 -8.867 1.00 0.00 H new ATOM 0 HA ALA A 79 0.427 -0.027 -7.263 1.00 0.00 H new ATOM 0 HB1 ALA A 79 2.476 1.257 -7.538 1.00 0.00 H new ATOM 0 HB2 ALA A 79 2.775 -0.203 -6.565 1.00 0.00 H new ATOM 0 HB3 ALA A 79 3.284 -0.150 -8.269 1.00 0.00 H new ATOM 1230 N GLU A 80 -0.069 1.115 -9.489 1.00 0.00 N ATOM 1231 CA GLU A 80 -0.331 1.780 -10.765 1.00 0.00 C ATOM 1232 C GLU A 80 -0.478 3.278 -10.564 1.00 0.00 C ATOM 1233 O GLU A 80 -1.186 3.696 -9.655 1.00 0.00 O ATOM 1234 CB GLU A 80 -1.559 1.213 -11.493 1.00 0.00 C ATOM 1235 CG GLU A 80 -1.204 0.313 -12.675 1.00 0.00 C ATOM 1236 CD GLU A 80 -0.487 1.000 -13.843 1.00 0.00 C ATOM 1237 OE1 GLU A 80 0.081 2.110 -13.700 1.00 0.00 O ATOM 1238 OE2 GLU A 80 -0.560 0.443 -14.955 1.00 0.00 O ATOM 0 H GLU A 80 -0.559 1.530 -8.697 1.00 0.00 H new ATOM 0 HA GLU A 80 0.531 1.585 -11.403 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -2.163 0.647 -10.784 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -2.175 2.039 -11.848 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -0.573 -0.499 -12.313 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -2.121 -0.139 -13.052 1.00 0.00 H new ATOM 1245 N MET A 81 0.150 4.052 -11.450 1.00 0.00 N ATOM 1246 CA MET A 81 0.338 5.495 -11.398 1.00 0.00 C ATOM 1247 C MET A 81 -0.980 6.271 -11.325 1.00 0.00 C ATOM 1248 O MET A 81 -1.021 7.381 -10.803 1.00 0.00 O ATOM 1249 CB MET A 81 1.156 5.875 -12.652 1.00 0.00 C ATOM 1250 CG MET A 81 0.890 7.301 -13.127 1.00 0.00 C ATOM 1251 SD MET A 81 2.067 7.965 -14.325 1.00 0.00 S ATOM 1252 CE MET A 81 3.424 8.319 -13.174 1.00 0.00 C ATOM 0 H MET A 81 0.572 3.650 -12.287 1.00 0.00 H new ATOM 0 HA MET A 81 0.864 5.767 -10.483 1.00 0.00 H new ATOM 0 HB2 MET A 81 2.218 5.762 -12.434 1.00 0.00 H new ATOM 0 HB3 MET A 81 0.920 5.180 -13.458 1.00 0.00 H new ATOM 0 HG2 MET A 81 -0.106 7.337 -13.567 1.00 0.00 H new ATOM 0 HG3 MET A 81 0.878 7.957 -12.257 1.00 0.00 H new ATOM 0 HE1 MET A 81 3.643 9.387 -13.187 1.00 0.00 H new ATOM 0 HE2 MET A 81 3.134 8.020 -12.167 1.00 0.00 H new ATOM 0 HE3 MET A 81 4.312 7.763 -13.476 1.00 0.00 H new ATOM 1262 N ASP A 82 -2.028 5.747 -11.946 1.00 0.00 N ATOM 1263 CA ASP A 82 -3.332 6.406 -12.051 1.00 0.00 C ATOM 1264 C ASP A 82 -4.429 5.412 -11.687 1.00 0.00 C ATOM 1265 O ASP A 82 -5.610 5.623 -11.967 1.00 0.00 O ATOM 1266 CB ASP A 82 -3.518 6.930 -13.485 1.00 0.00 C ATOM 1267 CG ASP A 82 -4.058 8.344 -13.563 1.00 0.00 C ATOM 1268 OD1 ASP A 82 -5.107 8.639 -12.946 1.00 0.00 O ATOM 1269 OD2 ASP A 82 -3.430 9.141 -14.292 1.00 0.00 O ATOM 0 H ASP A 82 -2.000 4.835 -12.401 1.00 0.00 H new ATOM 0 HA ASP A 82 -3.387 7.249 -11.362 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -2.559 6.890 -14.002 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -4.196 6.264 -14.019 1.00 0.00 H new ATOM 1274 N GLY A 83 -4.022 4.263 -11.144 1.00 0.00 N ATOM 1275 CA GLY A 83 -4.807 3.055 -11.096 1.00 0.00 C ATOM 1276 C GLY A 83 -5.431 2.738 -12.456 1.00 0.00 C ATOM 1277 O GLY A 83 -6.644 2.531 -12.538 1.00 0.00 O ATOM 0 H GLY A 83 -3.103 4.158 -10.714 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -4.177 2.223 -10.780 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -5.594 3.160 -10.349 1.00 0.00 H new ATOM 1281 N ILE A 84 -4.595 2.689 -13.507 1.00 0.00 N ATOM 1282 CA ILE A 84 -4.920 2.296 -14.884 1.00 0.00 C ATOM 1283 C ILE A 84 -5.863 1.085 -14.896 1.00 0.00 C ATOM 1284 O ILE A 84 -6.858 1.042 -15.626 1.00 0.00 O ATOM 1285 CB ILE A 84 -3.579 1.998 -15.618 1.00 0.00 C ATOM 1286 CG1 ILE A 84 -2.930 3.260 -16.221 1.00 0.00 C ATOM 1287 CG2 ILE A 84 -3.650 0.925 -16.720 1.00 0.00 C ATOM 1288 CD1 ILE A 84 -2.379 4.231 -15.180 1.00 0.00 C ATOM 0 H ILE A 84 -3.611 2.940 -13.408 1.00 0.00 H new ATOM 0 HA ILE A 84 -5.447 3.098 -15.400 1.00 0.00 H new ATOM 0 HB ILE A 84 -2.962 1.601 -14.812 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -2.121 2.958 -16.886 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -3.668 3.779 -16.833 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -2.664 0.796 -17.166 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -3.979 -0.020 -16.287 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -4.357 1.238 -17.488 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -1.939 5.092 -15.683 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -3.188 4.564 -14.529 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -1.616 3.731 -14.583 1.00 0.00 H new ATOM 1300 N GLN A 85 -5.522 0.097 -14.080 1.00 0.00 N ATOM 1301 CA GLN A 85 -6.237 -1.132 -13.821 1.00 0.00 C ATOM 1302 C GLN A 85 -6.205 -1.339 -12.304 1.00 0.00 C ATOM 1303 O GLN A 85 -5.719 -0.480 -11.556 1.00 0.00 O ATOM 1304 CB GLN A 85 -5.560 -2.282 -14.600 1.00 0.00 C ATOM 1305 CG GLN A 85 -5.866 -2.285 -16.106 1.00 0.00 C ATOM 1306 CD GLN A 85 -7.326 -2.615 -16.388 1.00 0.00 C ATOM 1307 OE1 GLN A 85 -7.720 -3.776 -16.419 1.00 0.00 O ATOM 1308 NE2 GLN A 85 -8.165 -1.617 -16.616 1.00 0.00 N ATOM 0 H GLN A 85 -4.660 0.146 -13.537 1.00 0.00 H new ATOM 0 HA GLN A 85 -7.274 -1.100 -14.155 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -4.481 -2.216 -14.460 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -5.879 -3.233 -14.173 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -5.627 -1.309 -16.527 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -5.226 -3.013 -16.605 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -7.831 -0.654 -16.589 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -9.146 -1.811 -16.819 1.00 0.00 H new ATOM 1317 N TYR A 86 -6.687 -2.502 -11.875 1.00 0.00 N ATOM 1318 CA TYR A 86 -6.601 -3.046 -10.531 1.00 0.00 C ATOM 1319 C TYR A 86 -7.643 -2.407 -9.627 1.00 0.00 C ATOM 1320 O TYR A 86 -8.583 -3.107 -9.252 1.00 0.00 O ATOM 1321 CB TYR A 86 -5.175 -2.990 -9.953 1.00 0.00 C ATOM 1322 CG TYR A 86 -4.102 -3.487 -10.897 1.00 0.00 C ATOM 1323 CD1 TYR A 86 -3.910 -4.868 -11.076 1.00 0.00 C ATOM 1324 CD2 TYR A 86 -3.319 -2.566 -11.614 1.00 0.00 C ATOM 1325 CE1 TYR A 86 -2.915 -5.329 -11.965 1.00 0.00 C ATOM 1326 CE2 TYR A 86 -2.404 -3.018 -12.571 1.00 0.00 C ATOM 1327 CZ TYR A 86 -2.202 -4.399 -12.759 1.00 0.00 C ATOM 1328 OH TYR A 86 -1.314 -4.808 -13.702 1.00 0.00 O ATOM 0 H TYR A 86 -7.183 -3.131 -12.506 1.00 0.00 H new ATOM 0 HA TYR A 86 -6.833 -4.109 -10.588 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -4.949 -1.961 -9.673 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -5.142 -3.583 -9.039 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -4.522 -5.574 -10.535 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -3.424 -1.508 -11.426 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -2.699 -6.385 -12.039 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -1.852 -2.306 -13.167 1.00 0.00 H new ATOM 0 HH TYR A 86 -0.924 -4.026 -14.146 1.00 0.00 H new ATOM 1338 N GLY A 87 -7.464 -1.146 -9.227 1.00 0.00 N ATOM 1339 CA GLY A 87 -8.238 -0.505 -8.168 1.00 0.00 C ATOM 1340 C GLY A 87 -9.744 -0.662 -8.359 1.00 0.00 C ATOM 1341 O GLY A 87 -10.473 -0.983 -7.417 1.00 0.00 O ATOM 0 H GLY A 87 -6.762 -0.532 -9.640 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -7.952 -0.931 -7.206 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -7.989 0.556 -8.133 1.00 0.00 H new ATOM 1345 N ARG A 88 -10.205 -0.447 -9.586 1.00 0.00 N ATOM 1346 CA ARG A 88 -11.586 -0.634 -9.990 1.00 0.00 C ATOM 1347 C ARG A 88 -11.743 -2.068 -10.494 1.00 0.00 C ATOM 1348 O ARG A 88 -10.887 -2.536 -11.248 1.00 0.00 O ATOM 1349 CB ARG A 88 -11.872 0.429 -11.050 1.00 0.00 C ATOM 1350 CG ARG A 88 -13.359 0.753 -11.196 1.00 0.00 C ATOM 1351 CD ARG A 88 -13.418 2.105 -11.902 1.00 0.00 C ATOM 1352 NE ARG A 88 -14.770 2.446 -12.343 1.00 0.00 N ATOM 1353 CZ ARG A 88 -15.160 3.668 -12.708 1.00 0.00 C ATOM 1354 NH1 ARG A 88 -14.336 4.708 -12.597 1.00 0.00 N ATOM 1355 NH2 ARG A 88 -16.382 3.830 -13.195 1.00 0.00 N ATOM 0 H ARG A 88 -9.606 -0.128 -10.348 1.00 0.00 H new ATOM 0 HA ARG A 88 -12.305 -0.510 -9.180 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -11.332 1.341 -10.795 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -11.486 0.088 -12.010 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -13.872 -0.014 -11.776 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -13.848 0.798 -10.223 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -13.053 2.880 -11.228 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -12.751 2.091 -12.764 1.00 0.00 H new ATOM 0 HE ARG A 88 -15.462 1.698 -12.374 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -13.394 4.575 -12.229 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -14.647 5.637 -12.880 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -17.006 3.028 -13.285 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -16.699 4.757 -13.480 1.00 0.00 H new ATOM 1369 N SER A 89 -12.838 -2.733 -10.112 1.00 0.00 N ATOM 1370 CA SER A 89 -13.076 -4.182 -10.070 1.00 0.00 C ATOM 1371 C SER A 89 -12.789 -4.688 -8.645 1.00 0.00 C ATOM 1372 O SER A 89 -12.367 -3.926 -7.773 1.00 0.00 O ATOM 1373 CB SER A 89 -12.279 -4.981 -11.129 1.00 0.00 C ATOM 1374 OG SER A 89 -12.757 -6.315 -11.175 1.00 0.00 O ATOM 0 H SER A 89 -13.661 -2.221 -9.793 1.00 0.00 H new ATOM 0 HA SER A 89 -14.121 -4.353 -10.328 1.00 0.00 H new ATOM 0 HB2 SER A 89 -12.383 -4.512 -12.108 1.00 0.00 H new ATOM 0 HB3 SER A 89 -11.217 -4.972 -10.883 1.00 0.00 H new ATOM 0 HG SER A 89 -12.253 -6.820 -11.847 1.00 0.00 H new ATOM 1380 N GLY A 90 -13.035 -5.978 -8.407 1.00 0.00 N ATOM 1381 CA GLY A 90 -12.885 -6.686 -7.141 1.00 0.00 C ATOM 1382 C GLY A 90 -11.846 -7.806 -7.206 1.00 0.00 C ATOM 1383 O GLY A 90 -11.778 -8.652 -6.311 1.00 0.00 O ATOM 0 H GLY A 90 -13.367 -6.595 -9.148 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -12.599 -5.976 -6.365 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -13.847 -7.106 -6.849 1.00 0.00 H new ATOM 1387 N ILE A 91 -11.026 -7.848 -8.259 1.00 0.00 N ATOM 1388 CA ILE A 91 -9.714 -8.498 -8.188 1.00 0.00 C ATOM 1389 C ILE A 91 -8.902 -7.851 -7.077 1.00 0.00 C ATOM 1390 O ILE A 91 -8.249 -8.540 -6.294 1.00 0.00 O ATOM 1391 CB ILE A 91 -8.981 -8.416 -9.542 1.00 0.00 C ATOM 1392 CG1 ILE A 91 -7.527 -8.895 -9.480 1.00 0.00 C ATOM 1393 CG2 ILE A 91 -8.990 -7.022 -10.199 1.00 0.00 C ATOM 1394 CD1 ILE A 91 -6.942 -9.242 -10.858 1.00 0.00 C ATOM 0 H ILE A 91 -11.246 -7.441 -9.168 1.00 0.00 H new ATOM 0 HA ILE A 91 -9.845 -9.556 -7.963 1.00 0.00 H new ATOM 0 HB ILE A 91 -9.569 -9.093 -10.161 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -6.916 -8.120 -9.018 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -7.468 -9.773 -8.836 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -8.451 -7.062 -11.146 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -10.019 -6.712 -10.380 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -8.506 -6.304 -9.536 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -5.910 -9.574 -10.742 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -7.531 -10.039 -11.313 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -6.970 -8.360 -11.498 1.00 0.00 H new ATOM 1406 N THR A 92 -8.947 -6.526 -7.011 1.00 0.00 N ATOM 1407 CA THR A 92 -8.250 -5.799 -5.984 1.00 0.00 C ATOM 1408 C THR A 92 -9.133 -5.758 -4.735 1.00 0.00 C ATOM 1409 O THR A 92 -10.361 -5.785 -4.847 1.00 0.00 O ATOM 1410 CB THR A 92 -7.916 -4.414 -6.517 1.00 0.00 C ATOM 1411 OG1 THR A 92 -7.153 -4.614 -7.681 1.00 0.00 O ATOM 1412 CG2 THR A 92 -7.109 -3.553 -5.557 1.00 0.00 C ATOM 0 H THR A 92 -9.465 -5.940 -7.666 1.00 0.00 H new ATOM 0 HA THR A 92 -7.312 -6.280 -5.708 1.00 0.00 H new ATOM 0 HB THR A 92 -8.851 -3.881 -6.685 1.00 0.00 H new ATOM 0 HG1 THR A 92 -7.711 -4.452 -8.470 1.00 0.00 H new ATOM 0 HG21 THR A 92 -6.914 -2.583 -6.014 1.00 0.00 H new ATOM 0 HG22 THR A 92 -7.671 -3.413 -4.634 1.00 0.00 H new ATOM 0 HG23 THR A 92 -6.163 -4.046 -5.334 1.00 0.00 H new ATOM 1420 N LEU A 93 -8.522 -5.677 -3.553 1.00 0.00 N ATOM 1421 CA LEU A 93 -9.227 -5.614 -2.274 1.00 0.00 C ATOM 1422 C LEU A 93 -9.095 -4.214 -1.677 1.00 0.00 C ATOM 1423 O LEU A 93 -10.078 -3.664 -1.179 1.00 0.00 O ATOM 1424 CB LEU A 93 -8.723 -6.677 -1.288 1.00 0.00 C ATOM 1425 CG LEU A 93 -8.460 -8.063 -1.899 1.00 0.00 C ATOM 1426 CD1 LEU A 93 -8.047 -9.009 -0.779 1.00 0.00 C ATOM 1427 CD2 LEU A 93 -9.661 -8.683 -2.623 1.00 0.00 C ATOM 0 H LEU A 93 -7.507 -5.653 -3.456 1.00 0.00 H new ATOM 0 HA LEU A 93 -10.280 -5.826 -2.460 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -7.801 -6.318 -0.831 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -9.455 -6.783 -0.487 1.00 0.00 H new ATOM 0 HG LEU A 93 -7.683 -7.922 -2.650 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -7.855 -10.000 -1.192 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -7.142 -8.634 -0.301 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -8.848 -9.072 -0.042 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -9.382 -9.659 -3.021 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -10.488 -8.800 -1.922 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -9.968 -8.032 -3.441 1.00 0.00 H new ATOM 1439 N GLY A 94 -7.894 -3.632 -1.719 1.00 0.00 N ATOM 1440 CA GLY A 94 -7.611 -2.332 -1.121 1.00 0.00 C ATOM 1441 C GLY A 94 -6.304 -1.783 -1.671 1.00 0.00 C ATOM 1442 O GLY A 94 -5.753 -2.339 -2.627 1.00 0.00 O ATOM 0 H GLY A 94 -7.086 -4.057 -2.174 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -8.425 -1.639 -1.334 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -7.548 -2.426 -0.037 1.00 0.00 H new ATOM 1446 N VAL A 95 -5.827 -0.697 -1.070 1.00 0.00 N ATOM 1447 CA VAL A 95 -4.513 -0.108 -1.305 1.00 0.00 C ATOM 1448 C VAL A 95 -3.794 -0.049 0.032 1.00 0.00 C ATOM 1449 O VAL A 95 -4.440 0.014 1.077 1.00 0.00 O ATOM 1450 CB VAL A 95 -4.665 1.284 -1.953 1.00 0.00 C ATOM 1451 CG1 VAL A 95 -3.402 2.141 -2.003 1.00 0.00 C ATOM 1452 CG2 VAL A 95 -5.154 1.224 -3.382 1.00 0.00 C ATOM 0 H VAL A 95 -6.369 -0.182 -0.376 1.00 0.00 H new ATOM 0 HA VAL A 95 -3.925 -0.709 -1.999 1.00 0.00 H new ATOM 0 HB VAL A 95 -5.390 1.743 -1.281 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -3.628 3.095 -2.479 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -3.042 2.317 -0.990 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -2.633 1.623 -2.577 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -5.240 2.235 -3.780 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -4.446 0.655 -3.985 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -6.129 0.738 -3.413 1.00 0.00 H new ATOM 1462 N LEU A 96 -2.469 -0.077 -0.006 1.00 0.00 N ATOM 1463 CA LEU A 96 -1.609 -0.090 1.154 1.00 0.00 C ATOM 1464 C LEU A 96 -0.960 1.267 1.338 1.00 0.00 C ATOM 1465 O LEU A 96 -0.731 1.993 0.370 1.00 0.00 O ATOM 1466 CB LEU A 96 -0.523 -1.152 0.986 1.00 0.00 C ATOM 1467 CG LEU A 96 -1.063 -2.584 0.894 1.00 0.00 C ATOM 1468 CD1 LEU A 96 0.079 -3.547 0.574 1.00 0.00 C ATOM 1469 CD2 LEU A 96 -1.791 -3.077 2.145 1.00 0.00 C ATOM 0 H LEU A 96 -1.950 -0.092 -0.884 1.00 0.00 H new ATOM 0 HA LEU A 96 -2.212 -0.322 2.032 1.00 0.00 H new ATOM 0 HB2 LEU A 96 0.050 -0.932 0.086 1.00 0.00 H new ATOM 0 HB3 LEU A 96 0.167 -1.088 1.827 1.00 0.00 H new ATOM 0 HG LEU A 96 -1.806 -2.562 0.097 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -0.309 -4.563 0.510 1.00 0.00 H new ATOM 0 HD12 LEU A 96 0.532 -3.271 -0.378 1.00 0.00 H new ATOM 0 HD13 LEU A 96 0.830 -3.495 1.362 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -2.137 -4.098 1.986 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -1.110 -3.053 2.996 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -2.646 -2.432 2.346 1.00 0.00 H new ATOM 1481 N VAL A 97 -0.615 1.559 2.584 1.00 0.00 N ATOM 1482 CA VAL A 97 -0.024 2.816 3.035 1.00 0.00 C ATOM 1483 C VAL A 97 0.914 2.546 4.212 1.00 0.00 C ATOM 1484 O VAL A 97 0.739 1.525 4.889 1.00 0.00 O ATOM 1485 CB VAL A 97 -1.144 3.788 3.457 1.00 0.00 C ATOM 1486 CG1 VAL A 97 -1.818 4.367 2.206 1.00 0.00 C ATOM 1487 CG2 VAL A 97 -2.182 3.131 4.397 1.00 0.00 C ATOM 0 H VAL A 97 -0.745 0.895 3.347 1.00 0.00 H new ATOM 0 HA VAL A 97 0.548 3.266 2.223 1.00 0.00 H new ATOM 0 HB VAL A 97 -0.687 4.595 4.030 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -2.610 5.054 2.504 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -1.079 4.902 1.609 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -2.245 3.557 1.615 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -2.947 3.861 4.662 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -2.648 2.285 3.891 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -1.684 2.783 5.302 1.00 0.00 H new ATOM 1497 N PRO A 98 1.896 3.421 4.485 1.00 0.00 N ATOM 1498 CA PRO A 98 2.749 3.265 5.644 1.00 0.00 C ATOM 1499 C PRO A 98 1.947 3.514 6.919 1.00 0.00 C ATOM 1500 O PRO A 98 1.440 4.613 7.144 1.00 0.00 O ATOM 1501 CB PRO A 98 3.936 4.208 5.460 1.00 0.00 C ATOM 1502 CG PRO A 98 3.487 5.203 4.395 1.00 0.00 C ATOM 1503 CD PRO A 98 2.279 4.584 3.697 1.00 0.00 C ATOM 0 HA PRO A 98 3.134 2.250 5.742 1.00 0.00 H new ATOM 0 HB2 PRO A 98 4.187 4.714 6.392 1.00 0.00 H new ATOM 0 HB3 PRO A 98 4.826 3.665 5.143 1.00 0.00 H new ATOM 0 HG2 PRO A 98 3.225 6.160 4.846 1.00 0.00 H new ATOM 0 HG3 PRO A 98 4.289 5.395 3.682 1.00 0.00 H new ATOM 0 HD2 PRO A 98 1.458 5.299 3.636 1.00 0.00 H new ATOM 0 HD3 PRO A 98 2.527 4.296 2.676 1.00 0.00 H new ATOM 1511 N HIS A 99 1.788 2.478 7.745 1.00 0.00 N ATOM 1512 CA HIS A 99 1.241 2.626 9.084 1.00 0.00 C ATOM 1513 C HIS A 99 2.289 3.350 9.926 1.00 0.00 C ATOM 1514 O HIS A 99 3.451 2.938 9.963 1.00 0.00 O ATOM 1515 CB HIS A 99 0.861 1.265 9.692 1.00 0.00 C ATOM 1516 CG HIS A 99 0.343 1.351 11.114 1.00 0.00 C ATOM 1517 ND1 HIS A 99 0.612 0.468 12.141 1.00 0.00 N ATOM 1518 CD2 HIS A 99 -0.507 2.305 11.612 1.00 0.00 C ATOM 1519 CE1 HIS A 99 -0.093 0.868 13.214 1.00 0.00 C ATOM 1520 NE2 HIS A 99 -0.789 1.982 12.937 1.00 0.00 N ATOM 0 H HIS A 99 2.035 1.519 7.501 1.00 0.00 H new ATOM 0 HA HIS A 99 0.318 3.206 9.055 1.00 0.00 H new ATOM 0 HB2 HIS A 99 0.100 0.798 9.066 1.00 0.00 H new ATOM 0 HB3 HIS A 99 1.734 0.613 9.673 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -0.891 3.158 11.071 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -0.099 0.362 14.168 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -1.403 2.492 13.572 1.00 0.00 H new ATOM 1528 N VAL A 100 1.857 4.418 10.590 1.00 0.00 N ATOM 1529 CA VAL A 100 2.673 5.337 11.376 1.00 0.00 C ATOM 1530 C VAL A 100 2.075 5.452 12.786 1.00 0.00 C ATOM 1531 O VAL A 100 1.981 6.536 13.351 1.00 0.00 O ATOM 1532 CB VAL A 100 2.799 6.682 10.621 1.00 0.00 C ATOM 1533 CG1 VAL A 100 3.660 6.507 9.362 1.00 0.00 C ATOM 1534 CG2 VAL A 100 1.430 7.253 10.208 1.00 0.00 C ATOM 0 H VAL A 100 0.871 4.680 10.594 1.00 0.00 H new ATOM 0 HA VAL A 100 3.691 4.968 11.503 1.00 0.00 H new ATOM 0 HB VAL A 100 3.269 7.384 11.310 1.00 0.00 H new ATOM 0 HG11 VAL A 100 3.740 7.461 8.841 1.00 0.00 H new ATOM 0 HG12 VAL A 100 4.655 6.164 9.646 1.00 0.00 H new ATOM 0 HG13 VAL A 100 3.197 5.772 8.704 1.00 0.00 H new ATOM 0 HG21 VAL A 100 1.573 8.197 9.682 1.00 0.00 H new ATOM 0 HG22 VAL A 100 0.923 6.545 9.552 1.00 0.00 H new ATOM 0 HG23 VAL A 100 0.823 7.422 11.097 1.00 0.00 H new ATOM 1544 N GLY A 101 1.610 4.324 13.334 1.00 0.00 N ATOM 1545 CA GLY A 101 0.977 4.239 14.640 1.00 0.00 C ATOM 1546 C GLY A 101 -0.099 5.293 14.825 1.00 0.00 C ATOM 1547 O GLY A 101 -0.026 6.067 15.779 1.00 0.00 O ATOM 0 H GLY A 101 1.669 3.422 12.861 1.00 0.00 H new ATOM 0 HA2 GLY A 101 0.539 3.249 14.766 1.00 0.00 H new ATOM 0 HA3 GLY A 101 1.733 4.354 15.417 1.00 0.00 H new ATOM 1551 N GLU A 102 -1.072 5.335 13.918 1.00 0.00 N ATOM 1552 CA GLU A 102 -2.099 6.361 13.957 1.00 0.00 C ATOM 1553 C GLU A 102 -3.292 5.854 14.781 1.00 0.00 C ATOM 1554 O GLU A 102 -3.227 5.861 16.008 1.00 0.00 O ATOM 1555 CB GLU A 102 -2.406 6.774 12.511 1.00 0.00 C ATOM 1556 CG GLU A 102 -3.360 7.962 12.409 1.00 0.00 C ATOM 1557 CD GLU A 102 -2.770 9.239 12.984 1.00 0.00 C ATOM 1558 OE1 GLU A 102 -2.033 9.939 12.255 1.00 0.00 O ATOM 1559 OE2 GLU A 102 -3.140 9.591 14.127 1.00 0.00 O ATOM 0 H GLU A 102 -1.167 4.670 13.150 1.00 0.00 H new ATOM 0 HA GLU A 102 -1.780 7.269 14.469 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -1.473 7.023 12.006 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -2.838 5.924 11.982 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -3.620 8.125 11.363 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -4.286 7.726 12.934 1.00 0.00 H new ATOM 1566 N THR A 103 -4.382 5.389 14.164 1.00 0.00 N ATOM 1567 CA THR A 103 -5.636 5.085 14.850 1.00 0.00 C ATOM 1568 C THR A 103 -6.478 4.183 13.931 1.00 0.00 C ATOM 1569 O THR A 103 -7.264 4.692 13.119 1.00 0.00 O ATOM 1570 CB THR A 103 -6.339 6.413 15.201 1.00 0.00 C ATOM 1571 OG1 THR A 103 -5.583 7.132 16.157 1.00 0.00 O ATOM 1572 CG2 THR A 103 -7.732 6.213 15.791 1.00 0.00 C ATOM 0 H THR A 103 -4.416 5.212 13.160 1.00 0.00 H new ATOM 0 HA THR A 103 -5.475 4.548 15.785 1.00 0.00 H new ATOM 0 HB THR A 103 -6.426 6.958 14.261 1.00 0.00 H new ATOM 0 HG1 THR A 103 -4.844 6.574 16.477 1.00 0.00 H new ATOM 0 HG21 THR A 103 -8.174 7.183 16.017 1.00 0.00 H new ATOM 0 HG22 THR A 103 -8.360 5.687 15.072 1.00 0.00 H new ATOM 0 HG23 THR A 103 -7.659 5.626 16.706 1.00 0.00 H new ATOM 1580 N PRO A 104 -6.274 2.856 13.959 1.00 0.00 N ATOM 1581 CA PRO A 104 -7.039 1.960 13.112 1.00 0.00 C ATOM 1582 C PRO A 104 -8.512 1.961 13.513 1.00 0.00 C ATOM 1583 O PRO A 104 -8.848 2.148 14.686 1.00 0.00 O ATOM 1584 CB PRO A 104 -6.388 0.580 13.232 1.00 0.00 C ATOM 1585 CG PRO A 104 -5.397 0.672 14.398 1.00 0.00 C ATOM 1586 CD PRO A 104 -5.313 2.150 14.787 1.00 0.00 C ATOM 0 HA PRO A 104 -7.025 2.279 12.070 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -7.138 -0.189 13.419 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -5.877 0.309 12.308 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -5.734 0.068 15.241 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -4.418 0.292 14.105 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -5.541 2.285 15.844 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -4.306 2.536 14.626 1.00 0.00 H new ATOM 1594 N ILE A 105 -9.389 1.693 12.552 1.00 0.00 N ATOM 1595 CA ILE A 105 -10.783 1.360 12.819 1.00 0.00 C ATOM 1596 C ILE A 105 -10.935 -0.164 12.924 1.00 0.00 C ATOM 1597 O ILE A 105 -11.615 -0.659 13.823 1.00 0.00 O ATOM 1598 CB ILE A 105 -11.732 2.008 11.785 1.00 0.00 C ATOM 1599 CG1 ILE A 105 -11.367 1.747 10.304 1.00 0.00 C ATOM 1600 CG2 ILE A 105 -11.912 3.509 12.088 1.00 0.00 C ATOM 1601 CD1 ILE A 105 -10.509 2.821 9.621 1.00 0.00 C ATOM 0 H ILE A 105 -9.151 1.701 11.560 1.00 0.00 H new ATOM 0 HA ILE A 105 -11.081 1.783 13.779 1.00 0.00 H new ATOM 0 HB ILE A 105 -12.691 1.504 11.905 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -10.838 0.796 10.243 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -12.291 1.635 9.737 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -12.583 3.951 11.351 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -12.337 3.631 13.084 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -10.944 4.008 12.043 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -10.317 2.531 8.588 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -11.038 3.774 9.638 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -9.562 2.922 10.152 1.00 0.00 H new ATOM 1613 N ALA A 106 -10.235 -0.926 12.080 1.00 0.00 N ATOM 1614 CA ALA A 106 -10.282 -2.379 12.015 1.00 0.00 C ATOM 1615 C ALA A 106 -8.891 -2.901 11.672 1.00 0.00 C ATOM 1616 O ALA A 106 -7.941 -2.129 11.557 1.00 0.00 O ATOM 1617 CB ALA A 106 -11.330 -2.802 10.973 1.00 0.00 C ATOM 0 H ALA A 106 -9.594 -0.524 11.396 1.00 0.00 H new ATOM 0 HA ALA A 106 -10.576 -2.805 12.974 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -11.371 -3.890 10.919 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -12.307 -2.416 11.263 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -11.056 -2.400 9.998 1.00 0.00 H new ATOM 1623 N TYR A 107 -8.774 -4.210 11.472 1.00 0.00 N ATOM 1624 CA TYR A 107 -7.621 -4.854 10.853 1.00 0.00 C ATOM 1625 C TYR A 107 -8.157 -5.804 9.784 1.00 0.00 C ATOM 1626 O TYR A 107 -9.287 -6.287 9.910 1.00 0.00 O ATOM 1627 CB TYR A 107 -6.789 -5.609 11.902 1.00 0.00 C ATOM 1628 CG TYR A 107 -5.814 -4.749 12.688 1.00 0.00 C ATOM 1629 CD1 TYR A 107 -6.273 -3.827 13.648 1.00 0.00 C ATOM 1630 CD2 TYR A 107 -4.430 -4.873 12.450 1.00 0.00 C ATOM 1631 CE1 TYR A 107 -5.355 -3.032 14.359 1.00 0.00 C ATOM 1632 CE2 TYR A 107 -3.509 -4.105 13.180 1.00 0.00 C ATOM 1633 CZ TYR A 107 -3.967 -3.186 14.151 1.00 0.00 C ATOM 1634 OH TYR A 107 -3.080 -2.403 14.828 1.00 0.00 O ATOM 0 H TYR A 107 -9.501 -4.872 11.744 1.00 0.00 H new ATOM 0 HA TYR A 107 -6.959 -4.113 10.404 1.00 0.00 H new ATOM 0 HB2 TYR A 107 -7.469 -6.094 12.603 1.00 0.00 H new ATOM 0 HB3 TYR A 107 -6.231 -6.399 11.401 1.00 0.00 H new ATOM 0 HD1 TYR A 107 -7.332 -3.730 13.839 1.00 0.00 H new ATOM 0 HD2 TYR A 107 -4.075 -5.564 11.700 1.00 0.00 H new ATOM 0 HE1 TYR A 107 -5.714 -2.300 15.068 1.00 0.00 H new ATOM 0 HE2 TYR A 107 -2.450 -4.217 12.999 1.00 0.00 H new ATOM 0 HH TYR A 107 -2.166 -2.642 14.566 1.00 0.00 H new ATOM 1644 N ARG A 108 -7.350 -6.131 8.776 1.00 0.00 N ATOM 1645 CA ARG A 108 -7.658 -7.086 7.717 1.00 0.00 C ATOM 1646 C ARG A 108 -6.531 -8.106 7.707 1.00 0.00 C ATOM 1647 O ARG A 108 -5.373 -7.711 7.581 1.00 0.00 O ATOM 1648 CB ARG A 108 -7.753 -6.343 6.378 1.00 0.00 C ATOM 1649 CG ARG A 108 -8.439 -7.140 5.255 1.00 0.00 C ATOM 1650 CD ARG A 108 -9.967 -7.119 5.408 1.00 0.00 C ATOM 1651 NE ARG A 108 -10.676 -7.476 4.168 1.00 0.00 N ATOM 1652 CZ ARG A 108 -10.848 -6.696 3.090 1.00 0.00 C ATOM 1653 NH1 ARG A 108 -10.363 -5.464 3.018 1.00 0.00 N ATOM 1654 NH2 ARG A 108 -11.522 -7.156 2.049 1.00 0.00 N ATOM 0 H ARG A 108 -6.423 -5.718 8.672 1.00 0.00 H new ATOM 0 HA ARG A 108 -8.612 -7.587 7.881 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -8.298 -5.412 6.531 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -6.748 -6.074 6.054 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -8.163 -6.721 4.288 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -8.084 -8.171 5.269 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -10.257 -7.812 6.198 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -10.281 -6.125 5.726 1.00 0.00 H new ATOM 0 HE ARG A 108 -11.078 -8.413 4.124 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -9.837 -5.077 3.801 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -10.516 -4.904 2.180 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -11.908 -8.100 2.068 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -11.655 -6.567 1.227 1.00 0.00 H new ATOM 1668 N ASN A 109 -6.846 -9.391 7.856 1.00 0.00 N ATOM 1669 CA ASN A 109 -5.879 -10.449 7.578 1.00 0.00 C ATOM 1670 C ASN A 109 -5.962 -10.793 6.091 1.00 0.00 C ATOM 1671 O ASN A 109 -7.025 -10.709 5.466 1.00 0.00 O ATOM 1672 CB ASN A 109 -6.024 -11.707 8.461 1.00 0.00 C ATOM 1673 CG ASN A 109 -7.367 -11.927 9.146 1.00 0.00 C ATOM 1674 OD1 ASN A 109 -8.435 -11.883 8.535 1.00 0.00 O ATOM 1675 ND2 ASN A 109 -7.351 -12.196 10.436 1.00 0.00 N ATOM 0 H ASN A 109 -7.759 -9.723 8.166 1.00 0.00 H new ATOM 0 HA ASN A 109 -4.892 -10.065 7.834 1.00 0.00 H new ATOM 0 HB2 ASN A 109 -5.813 -12.580 7.843 1.00 0.00 H new ATOM 0 HB3 ASN A 109 -5.254 -11.669 9.232 1.00 0.00 H new ATOM 0 HD21 ASN A 109 -8.225 -12.369 10.932 1.00 0.00 H new ATOM 0 HD22 ASN A 109 -6.464 -12.232 10.939 1.00 0.00 H new ATOM 1682 N VAL A 110 -4.828 -11.189 5.524 1.00 0.00 N ATOM 1683 CA VAL A 110 -4.611 -11.591 4.138 1.00 0.00 C ATOM 1684 C VAL A 110 -3.496 -12.642 4.140 1.00 0.00 C ATOM 1685 O VAL A 110 -2.840 -12.850 5.159 1.00 0.00 O ATOM 1686 CB VAL A 110 -4.230 -10.367 3.268 1.00 0.00 C ATOM 1687 CG1 VAL A 110 -5.440 -9.497 2.899 1.00 0.00 C ATOM 1688 CG2 VAL A 110 -3.156 -9.470 3.907 1.00 0.00 C ATOM 0 H VAL A 110 -3.966 -11.242 6.066 1.00 0.00 H new ATOM 0 HA VAL A 110 -5.521 -12.010 3.708 1.00 0.00 H new ATOM 0 HB VAL A 110 -3.817 -10.810 2.362 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -5.111 -8.655 2.290 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -6.159 -10.093 2.337 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -5.911 -9.124 3.809 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -2.939 -8.633 3.243 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -3.520 -9.091 4.862 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -2.247 -10.050 4.070 1.00 0.00 H new ATOM 1698 N LEU A 111 -3.233 -13.302 3.012 1.00 0.00 N ATOM 1699 CA LEU A 111 -2.062 -14.147 2.834 1.00 0.00 C ATOM 1700 C LEU A 111 -1.199 -13.498 1.743 1.00 0.00 C ATOM 1701 O LEU A 111 -1.686 -12.665 0.971 1.00 0.00 O ATOM 1702 CB LEU A 111 -2.571 -15.525 2.377 1.00 0.00 C ATOM 1703 CG LEU A 111 -2.878 -16.611 3.404 1.00 0.00 C ATOM 1704 CD1 LEU A 111 -1.621 -17.187 4.050 1.00 0.00 C ATOM 1705 CD2 LEU A 111 -3.938 -16.157 4.405 1.00 0.00 C ATOM 0 H LEU A 111 -3.836 -13.262 2.190 1.00 0.00 H new ATOM 0 HA LEU A 111 -1.473 -14.258 3.744 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -3.482 -15.358 1.802 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -1.829 -15.931 1.689 1.00 0.00 H new ATOM 0 HG LEU A 111 -3.317 -17.450 2.865 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -1.902 -17.955 4.771 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -0.986 -17.627 3.281 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -1.077 -16.392 4.560 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -4.130 -16.957 5.120 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -3.583 -15.274 4.936 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -4.859 -15.916 3.875 1.00 0.00 H new ATOM 1717 N LEU A 112 0.068 -13.890 1.645 1.00 0.00 N ATOM 1718 CA LEU A 112 1.108 -13.331 0.786 1.00 0.00 C ATOM 1719 C LEU A 112 1.759 -14.477 0.027 1.00 0.00 C ATOM 1720 O LEU A 112 2.030 -15.521 0.615 1.00 0.00 O ATOM 1721 CB LEU A 112 2.195 -12.648 1.642 1.00 0.00 C ATOM 1722 CG LEU A 112 2.709 -11.315 1.069 1.00 0.00 C ATOM 1723 CD1 LEU A 112 3.928 -10.888 1.884 1.00 0.00 C ATOM 1724 CD2 LEU A 112 3.096 -11.336 -0.418 1.00 0.00 C ATOM 0 H LEU A 112 0.421 -14.665 2.206 1.00 0.00 H new ATOM 0 HA LEU A 112 0.666 -12.601 0.108 1.00 0.00 H new ATOM 0 HB2 LEU A 112 1.796 -12.471 2.641 1.00 0.00 H new ATOM 0 HB3 LEU A 112 3.037 -13.331 1.752 1.00 0.00 H new ATOM 0 HG LEU A 112 1.875 -10.616 1.141 1.00 0.00 H new ATOM 0 HD11 LEU A 112 4.312 -9.944 1.497 1.00 0.00 H new ATOM 0 HD12 LEU A 112 3.642 -10.763 2.928 1.00 0.00 H new ATOM 0 HD13 LEU A 112 4.702 -11.652 1.809 1.00 0.00 H new ATOM 0 HD21 LEU A 112 3.444 -10.347 -0.717 1.00 0.00 H new ATOM 0 HD22 LEU A 112 3.891 -12.064 -0.577 1.00 0.00 H new ATOM 0 HD23 LEU A 112 2.227 -11.611 -1.016 1.00 0.00 H new ATOM 1736 N ARG A 113 2.008 -14.313 -1.266 1.00 0.00 N ATOM 1737 CA ARG A 113 2.671 -15.323 -2.077 1.00 0.00 C ATOM 1738 C ARG A 113 4.097 -15.567 -1.568 1.00 0.00 C ATOM 1739 O ARG A 113 4.711 -14.660 -1.003 1.00 0.00 O ATOM 1740 CB ARG A 113 2.631 -14.798 -3.515 1.00 0.00 C ATOM 1741 CG ARG A 113 2.684 -15.895 -4.578 1.00 0.00 C ATOM 1742 CD ARG A 113 1.600 -15.623 -5.624 1.00 0.00 C ATOM 1743 NE ARG A 113 1.604 -16.607 -6.712 1.00 0.00 N ATOM 1744 CZ ARG A 113 2.204 -16.486 -7.901 1.00 0.00 C ATOM 1745 NH1 ARG A 113 3.079 -15.523 -8.167 1.00 0.00 N ATOM 1746 NH2 ARG A 113 1.891 -17.364 -8.840 1.00 0.00 N ATOM 0 H ARG A 113 1.754 -13.471 -1.783 1.00 0.00 H new ATOM 0 HA ARG A 113 2.176 -16.293 -2.022 1.00 0.00 H new ATOM 0 HB2 ARG A 113 1.720 -14.216 -3.653 1.00 0.00 H new ATOM 0 HB3 ARG A 113 3.470 -14.118 -3.666 1.00 0.00 H new ATOM 0 HG2 ARG A 113 3.666 -15.916 -5.050 1.00 0.00 H new ATOM 0 HG3 ARG A 113 2.529 -16.872 -4.120 1.00 0.00 H new ATOM 0 HD2 ARG A 113 0.624 -15.627 -5.139 1.00 0.00 H new ATOM 0 HD3 ARG A 113 1.745 -14.626 -6.041 1.00 0.00 H new ATOM 0 HE ARG A 113 1.095 -17.475 -6.544 1.00 0.00 H new ATOM 0 HH11 ARG A 113 3.317 -14.838 -7.450 1.00 0.00 H new ATOM 0 HH12 ARG A 113 3.513 -15.468 -9.088 1.00 0.00 H new ATOM 0 HH21 ARG A 113 1.213 -18.100 -8.644 1.00 0.00 H new ATOM 0 HH22 ARG A 113 2.328 -17.304 -9.760 1.00 0.00 H new