USER MOD reduce.3.24.130724 H: found=0, std=0, add=800, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 801 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 78 LYS NZ :NH3+ 179:sc= 0.405 (180deg=0) USER MOD Set 1.2: A 86 THR OG1 : rot -140:sc= -1.11 USER MOD Set 2.1: A 19 ASN :FLIP amide:sc= -0.0186 F(o=-3.7,f=0.15) USER MOD Set 2.2: A 57 LYS NZ :NH3+ 169:sc= 0.171 (180deg=0) USER MOD Set 3.1: A 33 ASN : amide:sc= -6.24! C(o=-5.8!,f=-9.1!) USER MOD Set 3.2: A 36 LYS NZ :NH3+ 151:sc= 0.458 (180deg=-0.0367) USER MOD Single : A 8 THR OG1 : rot 96:sc= -1.9 USER MOD Single : A 13 THR OG1 : rot 180:sc= -1.92 USER MOD Single : A 21 SER OG : rot -158:sc= -3.99 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -3.25 K(o=-3.2,f=-4.1!) USER MOD Single : A 39 HIS : no HD1:sc= -0.44 X(o=-0.44,f=0.021) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 51 ASN :FLIP amide:sc= -0.287 F(o=-1,f=-0.29) USER MOD Single : A 56 SER OG : rot -160:sc= -0.805 USER MOD Single : A 64 ASN : amide:sc= -1.31! X(o=-1.3!,f=-1.5) USER MOD Single : A 66 GLN : amide:sc= -4.93! C(o=-4.9!,f=-6.5!) USER MOD Single : A 71 ASN : amide:sc= -5.8! C(o=-5.8!,f=-8.2!) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 80 ASN :FLIP amide:sc= -2.4! F(o=-4,f=-2.4!) USER MOD Single : A 81 GLN :FLIP amide:sc= -0.119 F(o=-1.3,f=-0.12) USER MOD Single : A 84 MET CE :methyl -165:sc= -6.34! (180deg=-7.17!) USER MOD Single : A 90 SER OG : rot 87:sc= 1.11 USER MOD Single : A 91 MET CE :methyl 178:sc= -11.7! (180deg=-11.9!) USER MOD Single : A 92 SER OG : rot 88:sc= 0.456 USER MOD Single : A 93 THR OG1 : rot -60:sc= 0.337 USER MOD Single : A 96 ASN : amide:sc= -11! C(o=-11!,f=-22!) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 MET CE :methyl -156:sc= -1.84 (180deg=-4.55!) USER MOD Single : A 102 GLN : amide:sc= -0.75 K(o=-0.75,f=-1.9!) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 7 -3.695 -10.548 -15.783 1.00 0.00 N ATOM 2 CA GLY A 7 -4.845 -11.394 -15.522 1.00 0.00 C ATOM 3 C GLY A 7 -5.577 -11.000 -14.254 1.00 0.00 C ATOM 4 O GLY A 7 -6.795 -11.139 -14.162 1.00 0.00 O ATOM 0 HA2 GLY A 7 -5.532 -11.339 -16.367 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -4.519 -12.431 -15.443 1.00 0.00 H new ATOM 8 N THR A 8 -4.827 -10.506 -13.272 1.00 0.00 N ATOM 9 CA THR A 8 -5.409 -10.089 -12.002 1.00 0.00 C ATOM 10 C THR A 8 -4.347 -9.481 -11.091 1.00 0.00 C ATOM 11 O THR A 8 -4.192 -9.886 -9.939 1.00 0.00 O ATOM 12 CB THR A 8 -6.082 -11.277 -11.312 1.00 0.00 C ATOM 13 OG1 THR A 8 -6.436 -10.950 -9.981 1.00 0.00 O ATOM 14 CG2 THR A 8 -5.213 -12.514 -11.265 1.00 0.00 C ATOM 0 H THR A 8 -3.816 -10.385 -13.333 1.00 0.00 H new ATOM 0 HA THR A 8 -6.161 -9.327 -12.205 1.00 0.00 H new ATOM 0 HB THR A 8 -6.965 -11.496 -11.913 1.00 0.00 H new ATOM 0 HG1 THR A 8 -7.375 -10.672 -9.951 1.00 0.00 H new ATOM 0 HG21 THR A 8 -5.751 -13.318 -10.763 1.00 0.00 H new ATOM 0 HG22 THR A 8 -4.964 -12.823 -12.280 1.00 0.00 H new ATOM 0 HG23 THR A 8 -4.296 -12.294 -10.718 1.00 0.00 H new ATOM 22 N ARG A 9 -3.618 -8.502 -11.620 1.00 0.00 N ATOM 23 CA ARG A 9 -2.569 -7.829 -10.863 1.00 0.00 C ATOM 24 C ARG A 9 -1.889 -6.764 -11.718 1.00 0.00 C ATOM 25 O ARG A 9 -1.057 -7.076 -12.569 1.00 0.00 O ATOM 26 CB ARG A 9 -1.534 -8.842 -10.367 1.00 0.00 C ATOM 27 CG ARG A 9 -1.622 -9.116 -8.874 1.00 0.00 C ATOM 28 CD ARG A 9 -0.244 -9.291 -8.257 1.00 0.00 C ATOM 29 NE ARG A 9 -0.177 -8.746 -6.902 1.00 0.00 N ATOM 30 CZ ARG A 9 0.959 -8.441 -6.280 1.00 0.00 C ATOM 31 NH1 ARG A 9 2.126 -8.629 -6.885 1.00 0.00 N ATOM 32 NH2 ARG A 9 0.930 -7.948 -5.050 1.00 0.00 N ATOM 0 H ARG A 9 -3.736 -8.157 -12.573 1.00 0.00 H new ATOM 0 HA ARG A 9 -3.028 -7.344 -10.001 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -1.665 -9.779 -10.909 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -0.535 -8.475 -10.603 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -2.140 -8.293 -8.382 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -2.215 -10.014 -8.702 1.00 0.00 H new ATOM 0 HD2 ARG A 9 0.011 -10.350 -8.235 1.00 0.00 H new ATOM 0 HD3 ARG A 9 0.499 -8.797 -8.883 1.00 0.00 H new ATOM 0 HE ARG A 9 -1.053 -8.590 -6.404 1.00 0.00 H new ATOM 0 HH11 ARG A 9 2.155 -9.009 -7.831 1.00 0.00 H new ATOM 0 HH12 ARG A 9 2.994 -8.393 -6.404 1.00 0.00 H new ATOM 0 HH21 ARG A 9 0.037 -7.802 -4.580 1.00 0.00 H new ATOM 0 HH22 ARG A 9 1.801 -7.714 -4.574 1.00 0.00 H new ATOM 46 N GLU A 10 -2.252 -5.505 -11.490 1.00 0.00 N ATOM 47 CA GLU A 10 -1.678 -4.397 -12.246 1.00 0.00 C ATOM 48 C GLU A 10 -0.897 -3.456 -11.334 1.00 0.00 C ATOM 49 O GLU A 10 -1.291 -3.204 -10.196 1.00 0.00 O ATOM 50 CB GLU A 10 -2.782 -3.622 -12.968 1.00 0.00 C ATOM 51 CG GLU A 10 -3.949 -3.247 -12.070 1.00 0.00 C ATOM 52 CD GLU A 10 -4.938 -2.324 -12.757 1.00 0.00 C ATOM 53 OE1 GLU A 10 -4.500 -1.308 -13.336 1.00 0.00 O ATOM 54 OE2 GLU A 10 -6.151 -2.619 -12.716 1.00 0.00 O ATOM 0 H GLU A 10 -2.939 -5.227 -10.789 1.00 0.00 H new ATOM 0 HA GLU A 10 -0.989 -4.813 -12.982 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -2.357 -2.714 -13.395 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -3.152 -4.223 -13.799 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -4.464 -4.153 -11.751 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -3.570 -2.763 -11.170 1.00 0.00 H new ATOM 61 N PHE A 11 0.215 -2.935 -11.847 1.00 0.00 N ATOM 62 CA PHE A 11 1.053 -2.015 -11.087 1.00 0.00 C ATOM 63 C PHE A 11 0.795 -0.574 -11.512 1.00 0.00 C ATOM 64 O PHE A 11 0.739 -0.271 -12.704 1.00 0.00 O ATOM 65 CB PHE A 11 2.531 -2.359 -11.286 1.00 0.00 C ATOM 66 CG PHE A 11 2.888 -3.756 -10.859 1.00 0.00 C ATOM 67 CD1 PHE A 11 2.355 -4.853 -11.515 1.00 0.00 C ATOM 68 CD2 PHE A 11 3.758 -3.969 -9.801 1.00 0.00 C ATOM 69 CE1 PHE A 11 2.681 -6.137 -11.125 1.00 0.00 C ATOM 70 CE2 PHE A 11 4.089 -5.251 -9.407 1.00 0.00 C ATOM 71 CZ PHE A 11 3.550 -6.337 -10.069 1.00 0.00 C ATOM 0 H PHE A 11 0.556 -3.135 -12.787 1.00 0.00 H new ATOM 0 HA PHE A 11 0.801 -2.117 -10.031 1.00 0.00 H new ATOM 0 HB2 PHE A 11 2.786 -2.234 -12.338 1.00 0.00 H new ATOM 0 HB3 PHE A 11 3.139 -1.650 -10.724 1.00 0.00 H new ATOM 0 HD1 PHE A 11 1.676 -4.703 -12.341 1.00 0.00 H new ATOM 0 HD2 PHE A 11 4.182 -3.124 -9.279 1.00 0.00 H new ATOM 0 HE1 PHE A 11 2.257 -6.984 -11.644 1.00 0.00 H new ATOM 0 HE2 PHE A 11 4.769 -5.404 -8.582 1.00 0.00 H new ATOM 0 HZ PHE A 11 3.807 -7.340 -9.762 1.00 0.00 H new ATOM 81 N LEU A 12 0.631 0.311 -10.535 1.00 0.00 N ATOM 82 CA LEU A 12 0.372 1.717 -10.819 1.00 0.00 C ATOM 83 C LEU A 12 1.368 2.621 -10.098 1.00 0.00 C ATOM 84 O LEU A 12 1.971 2.230 -9.099 1.00 0.00 O ATOM 85 CB LEU A 12 -1.054 2.089 -10.410 1.00 0.00 C ATOM 86 CG LEU A 12 -2.123 1.063 -10.789 1.00 0.00 C ATOM 87 CD1 LEU A 12 -3.478 1.475 -10.235 1.00 0.00 C ATOM 88 CD2 LEU A 12 -2.191 0.900 -12.300 1.00 0.00 C ATOM 0 H LEU A 12 0.673 0.080 -9.542 1.00 0.00 H new ATOM 0 HA LEU A 12 0.489 1.865 -11.892 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -1.080 2.236 -9.330 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -1.310 3.044 -10.868 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.851 0.103 -10.351 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -4.226 0.733 -10.515 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -3.422 1.542 -9.149 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -3.759 2.445 -10.644 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -2.957 0.166 -12.553 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -2.440 1.857 -12.758 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -1.225 0.560 -12.673 1.00 0.00 H new ATOM 100 N THR A 13 1.524 3.836 -10.613 1.00 0.00 N ATOM 101 CA THR A 13 2.437 4.811 -10.026 1.00 0.00 C ATOM 102 C THR A 13 1.699 6.106 -9.709 1.00 0.00 C ATOM 103 O THR A 13 0.946 6.618 -10.537 1.00 0.00 O ATOM 104 CB THR A 13 3.599 5.096 -10.979 1.00 0.00 C ATOM 105 OG1 THR A 13 4.176 3.889 -11.443 1.00 0.00 O ATOM 106 CG2 THR A 13 4.699 5.921 -10.348 1.00 0.00 C ATOM 0 H THR A 13 1.028 4.170 -11.439 1.00 0.00 H new ATOM 0 HA THR A 13 2.834 4.394 -9.100 1.00 0.00 H new ATOM 0 HB THR A 13 3.166 5.666 -11.801 1.00 0.00 H new ATOM 0 HG1 THR A 13 4.916 4.093 -12.052 1.00 0.00 H new ATOM 0 HG21 THR A 13 5.492 6.087 -11.077 1.00 0.00 H new ATOM 0 HG22 THR A 13 4.295 6.881 -10.026 1.00 0.00 H new ATOM 0 HG23 THR A 13 5.103 5.390 -9.486 1.00 0.00 H new ATOM 114 N PHE A 14 1.911 6.632 -8.506 1.00 0.00 N ATOM 115 CA PHE A 14 1.249 7.864 -8.094 1.00 0.00 C ATOM 116 C PHE A 14 2.221 8.820 -7.406 1.00 0.00 C ATOM 117 O PHE A 14 3.140 8.395 -6.704 1.00 0.00 O ATOM 118 CB PHE A 14 0.083 7.552 -7.154 1.00 0.00 C ATOM 119 CG PHE A 14 -0.756 6.389 -7.601 1.00 0.00 C ATOM 120 CD1 PHE A 14 -1.237 6.322 -8.899 1.00 0.00 C ATOM 121 CD2 PHE A 14 -1.066 5.362 -6.723 1.00 0.00 C ATOM 122 CE1 PHE A 14 -2.010 5.254 -9.314 1.00 0.00 C ATOM 123 CE2 PHE A 14 -1.838 4.292 -7.131 1.00 0.00 C ATOM 124 CZ PHE A 14 -2.311 4.237 -8.428 1.00 0.00 C ATOM 0 H PHE A 14 2.531 6.227 -7.805 1.00 0.00 H new ATOM 0 HA PHE A 14 0.871 8.350 -8.994 1.00 0.00 H new ATOM 0 HB2 PHE A 14 0.475 7.345 -6.158 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -0.551 8.435 -7.069 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -1.005 7.114 -9.595 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -0.699 5.399 -5.708 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -2.378 5.214 -10.329 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -2.072 3.499 -6.437 1.00 0.00 H new ATOM 0 HZ PHE A 14 -2.915 3.401 -8.749 1.00 0.00 H new ATOM 134 N GLU A 15 1.996 10.114 -7.607 1.00 0.00 N ATOM 135 CA GLU A 15 2.832 11.147 -7.004 1.00 0.00 C ATOM 136 C GLU A 15 2.054 11.877 -5.915 1.00 0.00 C ATOM 137 O GLU A 15 1.111 12.613 -6.203 1.00 0.00 O ATOM 138 CB GLU A 15 3.304 12.139 -8.068 1.00 0.00 C ATOM 139 CG GLU A 15 3.744 11.479 -9.365 1.00 0.00 C ATOM 140 CD GLU A 15 2.606 11.317 -10.354 1.00 0.00 C ATOM 141 OE1 GLU A 15 1.794 10.384 -10.178 1.00 0.00 O ATOM 142 OE2 GLU A 15 2.527 12.124 -11.304 1.00 0.00 O ATOM 0 H GLU A 15 1.238 10.474 -8.186 1.00 0.00 H new ATOM 0 HA GLU A 15 3.707 10.673 -6.558 1.00 0.00 H new ATOM 0 HB2 GLU A 15 2.497 12.840 -8.283 1.00 0.00 H new ATOM 0 HB3 GLU A 15 4.134 12.721 -7.667 1.00 0.00 H new ATOM 0 HG2 GLU A 15 4.534 12.075 -9.821 1.00 0.00 H new ATOM 0 HG3 GLU A 15 4.170 10.500 -9.144 1.00 0.00 H new ATOM 149 N VAL A 16 2.443 11.659 -4.662 1.00 0.00 N ATOM 150 CA VAL A 16 1.765 12.282 -3.532 1.00 0.00 C ATOM 151 C VAL A 16 2.517 13.516 -3.034 1.00 0.00 C ATOM 152 O VAL A 16 3.561 13.399 -2.392 1.00 0.00 O ATOM 153 CB VAL A 16 1.591 11.293 -2.355 1.00 0.00 C ATOM 154 CG1 VAL A 16 0.237 11.492 -1.692 1.00 0.00 C ATOM 155 CG2 VAL A 16 1.750 9.853 -2.823 1.00 0.00 C ATOM 0 H VAL A 16 3.224 11.056 -4.405 1.00 0.00 H new ATOM 0 HA VAL A 16 0.782 12.584 -3.894 1.00 0.00 H new ATOM 0 HB VAL A 16 2.372 11.497 -1.622 1.00 0.00 H new ATOM 0 HG11 VAL A 16 0.130 10.789 -0.866 1.00 0.00 H new ATOM 0 HG12 VAL A 16 0.164 12.511 -1.313 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -0.554 11.318 -2.421 1.00 0.00 H new ATOM 0 HG21 VAL A 16 1.623 9.179 -1.976 1.00 0.00 H new ATOM 0 HG22 VAL A 16 0.997 9.631 -3.579 1.00 0.00 H new ATOM 0 HG23 VAL A 16 2.744 9.717 -3.249 1.00 0.00 H new ATOM 165 N PRO A 17 1.992 14.723 -3.327 1.00 0.00 N ATOM 166 CA PRO A 17 2.613 15.981 -2.909 1.00 0.00 C ATOM 167 C PRO A 17 2.312 16.329 -1.456 1.00 0.00 C ATOM 168 O PRO A 17 1.269 16.909 -1.154 1.00 0.00 O ATOM 169 CB PRO A 17 1.972 17.002 -3.845 1.00 0.00 C ATOM 170 CG PRO A 17 0.614 16.456 -4.115 1.00 0.00 C ATOM 171 CD PRO A 17 0.748 14.954 -4.092 1.00 0.00 C ATOM 0 HA PRO A 17 3.701 15.941 -2.966 1.00 0.00 H new ATOM 0 HB2 PRO A 17 1.919 17.987 -3.382 1.00 0.00 H new ATOM 0 HB3 PRO A 17 2.546 17.113 -4.765 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -0.098 16.794 -3.362 1.00 0.00 H new ATOM 0 HG3 PRO A 17 0.243 16.798 -5.081 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -0.110 14.483 -3.612 1.00 0.00 H new ATOM 0 HD3 PRO A 17 0.815 14.543 -5.099 1.00 0.00 H new ATOM 179 N LEU A 18 3.236 15.990 -0.559 1.00 0.00 N ATOM 180 CA LEU A 18 3.064 16.284 0.863 1.00 0.00 C ATOM 181 C LEU A 18 3.583 17.675 1.197 1.00 0.00 C ATOM 182 O LEU A 18 3.969 17.956 2.331 1.00 0.00 O ATOM 183 CB LEU A 18 3.795 15.252 1.711 1.00 0.00 C ATOM 184 CG LEU A 18 5.300 15.240 1.504 1.00 0.00 C ATOM 185 CD1 LEU A 18 6.024 15.656 2.777 1.00 0.00 C ATOM 186 CD2 LEU A 18 5.769 13.872 1.039 1.00 0.00 C ATOM 0 H LEU A 18 4.108 15.514 -0.790 1.00 0.00 H new ATOM 0 HA LEU A 18 1.998 16.244 1.086 1.00 0.00 H new ATOM 0 HB2 LEU A 18 3.584 15.445 2.763 1.00 0.00 H new ATOM 0 HB3 LEU A 18 3.399 14.262 1.483 1.00 0.00 H new ATOM 0 HG LEU A 18 5.541 15.964 0.725 1.00 0.00 H new ATOM 0 HD11 LEU A 18 7.100 15.640 2.605 1.00 0.00 H new ATOM 0 HD12 LEU A 18 5.716 16.663 3.058 1.00 0.00 H new ATOM 0 HD13 LEU A 18 5.775 14.963 3.580 1.00 0.00 H new ATOM 0 HD21 LEU A 18 6.850 13.887 0.897 1.00 0.00 H new ATOM 0 HD22 LEU A 18 5.512 13.125 1.790 1.00 0.00 H new ATOM 0 HD23 LEU A 18 5.283 13.622 0.096 1.00 0.00 H new ATOM 198 N ASN A 19 3.584 18.536 0.192 1.00 0.00 N ATOM 199 CA ASN A 19 4.043 19.909 0.335 1.00 0.00 C ATOM 200 C ASN A 19 3.510 20.558 1.615 1.00 0.00 C ATOM 201 O ASN A 19 4.129 21.474 2.157 1.00 0.00 O ATOM 202 CB ASN A 19 3.603 20.712 -0.890 1.00 0.00 C ATOM 203 CG ASN A 19 2.127 21.092 -0.853 1.00 0.00 C ATOM 204 OD1 ASN A 19 1.260 20.128 -0.530 1.00 0.00 O flip ATOM 205 ND2 ASN A 19 1.769 22.241 -1.112 1.00 0.00 N flip ATOM 0 H ASN A 19 3.266 18.302 -0.748 1.00 0.00 H new ATOM 0 HA ASN A 19 5.131 19.903 0.407 1.00 0.00 H new ATOM 0 HB2 ASN A 19 4.204 21.618 -0.959 1.00 0.00 H new ATOM 0 HB3 ASN A 19 3.800 20.129 -1.790 1.00 0.00 H new ATOM 0 HD21 ASN A 19 2.462 22.949 -1.354 1.00 0.00 H new ATOM 0 HD22 ASN A 19 0.779 22.485 -1.084 1.00 0.00 H new ATOM 212 N ASP A 20 2.361 20.086 2.087 1.00 0.00 N ATOM 213 CA ASP A 20 1.755 20.633 3.295 1.00 0.00 C ATOM 214 C ASP A 20 1.102 19.541 4.141 1.00 0.00 C ATOM 215 O ASP A 20 0.276 19.830 5.006 1.00 0.00 O ATOM 216 CB ASP A 20 0.718 21.697 2.931 1.00 0.00 C ATOM 217 CG ASP A 20 1.319 23.085 2.848 1.00 0.00 C ATOM 218 OD1 ASP A 20 2.370 23.239 2.188 1.00 0.00 O ATOM 219 OD2 ASP A 20 0.741 24.020 3.440 1.00 0.00 O ATOM 0 H ASP A 20 1.833 19.329 1.653 1.00 0.00 H new ATOM 0 HA ASP A 20 2.550 21.088 3.886 1.00 0.00 H new ATOM 0 HB2 ASP A 20 0.262 21.444 1.974 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -0.079 21.693 3.675 1.00 0.00 H new ATOM 224 N SER A 21 1.477 18.288 3.893 1.00 0.00 N ATOM 225 CA SER A 21 0.923 17.168 4.645 1.00 0.00 C ATOM 226 C SER A 21 1.981 16.530 5.543 1.00 0.00 C ATOM 227 O SER A 21 1.654 15.779 6.461 1.00 0.00 O ATOM 228 CB SER A 21 0.342 16.121 3.691 1.00 0.00 C ATOM 229 OG SER A 21 1.370 15.423 3.010 1.00 0.00 O ATOM 0 H SER A 21 2.158 18.025 3.181 1.00 0.00 H new ATOM 0 HA SER A 21 0.124 17.552 5.280 1.00 0.00 H new ATOM 0 HB2 SER A 21 -0.271 15.415 4.251 1.00 0.00 H new ATOM 0 HB3 SER A 21 -0.312 16.607 2.967 1.00 0.00 H new ATOM 0 HG SER A 21 1.010 15.031 2.187 1.00 0.00 H new ATOM 235 N GLY A 22 3.249 16.831 5.272 1.00 0.00 N ATOM 236 CA GLY A 22 4.335 16.276 6.064 1.00 0.00 C ATOM 237 C GLY A 22 4.096 16.395 7.559 1.00 0.00 C ATOM 238 O GLY A 22 4.579 15.572 8.336 1.00 0.00 O ATOM 0 H GLY A 22 3.544 17.450 4.517 1.00 0.00 H new ATOM 0 HA2 GLY A 22 4.467 15.226 5.805 1.00 0.00 H new ATOM 0 HA3 GLY A 22 5.263 16.787 5.808 1.00 0.00 H new ATOM 242 N SER A 23 3.346 17.417 7.960 1.00 0.00 N ATOM 243 CA SER A 23 3.042 17.633 9.371 1.00 0.00 C ATOM 244 C SER A 23 2.434 16.380 9.992 1.00 0.00 C ATOM 245 O SER A 23 2.629 16.098 11.175 1.00 0.00 O ATOM 246 CB SER A 23 2.084 18.814 9.535 1.00 0.00 C ATOM 247 OG SER A 23 2.325 19.504 10.748 1.00 0.00 O ATOM 0 H SER A 23 2.938 18.107 7.330 1.00 0.00 H new ATOM 0 HA SER A 23 3.975 17.859 9.888 1.00 0.00 H new ATOM 0 HB2 SER A 23 2.199 19.499 8.695 1.00 0.00 H new ATOM 0 HB3 SER A 23 1.055 18.456 9.515 1.00 0.00 H new ATOM 0 HG SER A 23 1.700 20.255 10.827 1.00 0.00 H new ATOM 253 N ALA A 24 1.697 15.629 9.178 1.00 0.00 N ATOM 254 CA ALA A 24 1.060 14.399 9.633 1.00 0.00 C ATOM 255 C ALA A 24 1.749 13.173 9.038 1.00 0.00 C ATOM 256 O ALA A 24 1.659 12.073 9.582 1.00 0.00 O ATOM 257 CB ALA A 24 -0.416 14.406 9.267 1.00 0.00 C ATOM 0 H ALA A 24 1.527 15.853 8.198 1.00 0.00 H new ATOM 0 HA ALA A 24 1.155 14.347 10.718 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -0.881 13.482 9.612 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -0.904 15.257 9.741 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -0.522 14.483 8.185 1.00 0.00 H new ATOM 263 N GLY A 25 2.433 13.374 7.915 1.00 0.00 N ATOM 264 CA GLY A 25 3.124 12.279 7.258 1.00 0.00 C ATOM 265 C GLY A 25 2.902 12.282 5.761 1.00 0.00 C ATOM 266 O GLY A 25 3.856 12.292 4.983 1.00 0.00 O ATOM 0 H GLY A 25 2.521 14.277 7.448 1.00 0.00 H new ATOM 0 HA2 GLY A 25 4.192 12.348 7.466 1.00 0.00 H new ATOM 0 HA3 GLY A 25 2.779 11.332 7.673 1.00 0.00 H new ATOM 270 N LEU A 26 1.636 12.285 5.354 1.00 0.00 N ATOM 271 CA LEU A 26 1.288 12.297 3.938 1.00 0.00 C ATOM 272 C LEU A 26 -0.223 12.342 3.739 1.00 0.00 C ATOM 273 O LEU A 26 -0.712 12.958 2.792 1.00 0.00 O ATOM 274 CB LEU A 26 1.858 11.072 3.225 1.00 0.00 C ATOM 275 CG LEU A 26 1.591 11.035 1.720 1.00 0.00 C ATOM 276 CD1 LEU A 26 2.115 12.301 1.061 1.00 0.00 C ATOM 277 CD2 LEU A 26 2.223 9.804 1.092 1.00 0.00 C ATOM 0 H LEU A 26 0.835 12.279 5.985 1.00 0.00 H new ATOM 0 HA LEU A 26 1.725 13.197 3.507 1.00 0.00 H new ATOM 0 HB2 LEU A 26 2.935 11.038 3.391 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.437 10.175 3.678 1.00 0.00 H new ATOM 0 HG LEU A 26 0.514 10.981 1.561 1.00 0.00 H new ATOM 0 HD11 LEU A 26 1.918 12.262 -0.010 1.00 0.00 H new ATOM 0 HD12 LEU A 26 1.614 13.169 1.490 1.00 0.00 H new ATOM 0 HD13 LEU A 26 3.189 12.382 1.230 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.021 9.797 0.021 1.00 0.00 H new ATOM 0 HD22 LEU A 26 3.300 9.823 1.258 1.00 0.00 H new ATOM 0 HD23 LEU A 26 1.802 8.907 1.546 1.00 0.00 H new ATOM 289 N GLY A 27 -0.958 11.684 4.629 1.00 0.00 N ATOM 290 CA GLY A 27 -2.399 11.663 4.517 1.00 0.00 C ATOM 291 C GLY A 27 -2.939 10.265 4.306 1.00 0.00 C ATOM 292 O GLY A 27 -3.848 10.058 3.505 1.00 0.00 O ATOM 0 H GLY A 27 -0.580 11.167 5.423 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -2.838 12.087 5.420 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -2.706 12.298 3.686 1.00 0.00 H new ATOM 296 N VAL A 28 -2.385 9.300 5.034 1.00 0.00 N ATOM 297 CA VAL A 28 -2.826 7.914 4.933 1.00 0.00 C ATOM 298 C VAL A 28 -1.927 6.982 5.737 1.00 0.00 C ATOM 299 O VAL A 28 -0.770 7.295 6.016 1.00 0.00 O ATOM 300 CB VAL A 28 -2.898 7.434 3.463 1.00 0.00 C ATOM 301 CG1 VAL A 28 -1.683 7.901 2.676 1.00 0.00 C ATOM 302 CG2 VAL A 28 -3.046 5.918 3.373 1.00 0.00 C ATOM 0 H VAL A 28 -1.629 9.453 5.701 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.831 7.879 5.352 1.00 0.00 H new ATOM 0 HB VAL A 28 -3.787 7.881 3.019 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -1.759 7.550 1.647 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -1.640 8.990 2.686 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -0.778 7.498 3.131 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -3.093 5.619 2.326 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -2.190 5.440 3.849 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -3.961 5.611 3.880 1.00 0.00 H new ATOM 312 N SER A 29 -2.480 5.833 6.095 1.00 0.00 N ATOM 313 CA SER A 29 -1.755 4.827 6.860 1.00 0.00 C ATOM 314 C SER A 29 -1.902 3.461 6.204 1.00 0.00 C ATOM 315 O SER A 29 -2.897 3.191 5.533 1.00 0.00 O ATOM 316 CB SER A 29 -2.272 4.777 8.299 1.00 0.00 C ATOM 317 OG SER A 29 -1.500 5.608 9.149 1.00 0.00 O ATOM 0 H SER A 29 -3.439 5.571 5.865 1.00 0.00 H new ATOM 0 HA SER A 29 -0.699 5.098 6.877 1.00 0.00 H new ATOM 0 HB2 SER A 29 -3.315 5.094 8.325 1.00 0.00 H new ATOM 0 HB3 SER A 29 -2.242 3.750 8.664 1.00 0.00 H new ATOM 0 HG SER A 29 -1.852 5.559 10.062 1.00 0.00 H new ATOM 323 N VAL A 30 -0.905 2.602 6.396 1.00 0.00 N ATOM 324 CA VAL A 30 -0.931 1.267 5.811 1.00 0.00 C ATOM 325 C VAL A 30 -0.513 0.203 6.818 1.00 0.00 C ATOM 326 O VAL A 30 0.191 0.490 7.787 1.00 0.00 O ATOM 327 CB VAL A 30 -0.009 1.181 4.581 1.00 0.00 C ATOM 328 CG1 VAL A 30 -0.638 1.893 3.393 1.00 0.00 C ATOM 329 CG2 VAL A 30 1.358 1.763 4.899 1.00 0.00 C ATOM 0 H VAL A 30 -0.073 2.806 6.950 1.00 0.00 H new ATOM 0 HA VAL A 30 -1.961 1.080 5.507 1.00 0.00 H new ATOM 0 HB VAL A 30 0.121 0.131 4.318 1.00 0.00 H new ATOM 0 HG11 VAL A 30 0.027 1.822 2.532 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -1.593 1.426 3.153 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -0.800 2.942 3.641 1.00 0.00 H new ATOM 0 HG21 VAL A 30 1.997 1.694 4.018 1.00 0.00 H new ATOM 0 HG22 VAL A 30 1.250 2.808 5.188 1.00 0.00 H new ATOM 0 HG23 VAL A 30 1.809 1.205 5.719 1.00 0.00 H new ATOM 339 N LYS A 31 -0.952 -1.028 6.578 1.00 0.00 N ATOM 340 CA LYS A 31 -0.627 -2.145 7.456 1.00 0.00 C ATOM 341 C LYS A 31 -0.057 -3.312 6.653 1.00 0.00 C ATOM 342 O LYS A 31 -0.521 -3.602 5.549 1.00 0.00 O ATOM 343 CB LYS A 31 -1.871 -2.579 8.244 1.00 0.00 C ATOM 344 CG LYS A 31 -2.731 -3.612 7.535 1.00 0.00 C ATOM 345 CD LYS A 31 -2.201 -5.015 7.764 1.00 0.00 C ATOM 346 CE LYS A 31 -3.327 -6.035 7.836 1.00 0.00 C ATOM 347 NZ LYS A 31 -3.665 -6.389 9.241 1.00 0.00 N ATOM 0 H LYS A 31 -1.536 -1.277 5.780 1.00 0.00 H new ATOM 0 HA LYS A 31 0.134 -1.821 8.166 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -1.555 -2.984 9.205 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -2.479 -1.699 8.454 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -3.757 -3.544 7.896 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -2.754 -3.399 6.466 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -1.518 -5.283 6.958 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -1.626 -5.041 8.690 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -4.211 -5.635 7.339 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -3.037 -6.935 7.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -4.437 -7.086 9.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -2.828 -6.794 9.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -3.967 -5.535 9.751 1.00 0.00 H new ATOM 361 N GLY A 32 0.952 -3.972 7.208 1.00 0.00 N ATOM 362 CA GLY A 32 1.568 -5.093 6.524 1.00 0.00 C ATOM 363 C GLY A 32 1.013 -6.430 6.975 1.00 0.00 C ATOM 364 O GLY A 32 0.830 -6.664 8.168 1.00 0.00 O ATOM 0 H GLY A 32 1.355 -3.751 8.119 1.00 0.00 H new ATOM 0 HA2 GLY A 32 1.417 -4.985 5.450 1.00 0.00 H new ATOM 0 HA3 GLY A 32 2.644 -5.073 6.698 1.00 0.00 H new ATOM 368 N ASN A 33 0.744 -7.310 6.015 1.00 0.00 N ATOM 369 CA ASN A 33 0.208 -8.627 6.311 1.00 0.00 C ATOM 370 C ASN A 33 1.092 -9.710 5.693 1.00 0.00 C ATOM 371 O ASN A 33 1.844 -9.447 4.757 1.00 0.00 O ATOM 372 CB ASN A 33 -1.226 -8.732 5.778 1.00 0.00 C ATOM 373 CG ASN A 33 -1.618 -10.142 5.395 1.00 0.00 C ATOM 374 OD1 ASN A 33 -2.314 -10.834 6.138 1.00 0.00 O ATOM 375 ND2 ASN A 33 -1.169 -10.571 4.227 1.00 0.00 N ATOM 0 H ASN A 33 0.891 -7.130 5.022 1.00 0.00 H new ATOM 0 HA ASN A 33 0.194 -8.774 7.391 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -1.916 -8.363 6.537 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -1.332 -8.083 4.908 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -1.397 -11.513 3.908 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -0.595 -9.960 3.646 1.00 0.00 H new ATOM 382 N ARG A 34 0.993 -10.925 6.222 1.00 0.00 N ATOM 383 CA ARG A 34 1.779 -12.045 5.717 1.00 0.00 C ATOM 384 C ARG A 34 0.873 -13.163 5.216 1.00 0.00 C ATOM 385 O ARG A 34 -0.289 -13.258 5.613 1.00 0.00 O ATOM 386 CB ARG A 34 2.721 -12.581 6.803 1.00 0.00 C ATOM 387 CG ARG A 34 2.242 -12.320 8.221 1.00 0.00 C ATOM 388 CD ARG A 34 3.214 -12.873 9.250 1.00 0.00 C ATOM 389 NE ARG A 34 3.346 -11.990 10.407 1.00 0.00 N ATOM 390 CZ ARG A 34 3.837 -12.377 11.582 1.00 0.00 C ATOM 391 NH1 ARG A 34 4.242 -13.628 11.762 1.00 0.00 N ATOM 392 NH2 ARG A 34 3.922 -11.509 12.582 1.00 0.00 N ATOM 0 H ARG A 34 0.376 -11.159 7.000 1.00 0.00 H new ATOM 0 HA ARG A 34 2.378 -11.682 4.881 1.00 0.00 H new ATOM 0 HB2 ARG A 34 2.845 -13.655 6.664 1.00 0.00 H new ATOM 0 HB3 ARG A 34 3.704 -12.128 6.673 1.00 0.00 H new ATOM 0 HG2 ARG A 34 2.121 -11.247 8.373 1.00 0.00 H new ATOM 0 HG3 ARG A 34 1.262 -12.775 8.364 1.00 0.00 H new ATOM 0 HD2 ARG A 34 2.874 -13.855 9.580 1.00 0.00 H new ATOM 0 HD3 ARG A 34 4.191 -13.013 8.787 1.00 0.00 H new ATOM 0 HE ARG A 34 3.044 -11.021 10.308 1.00 0.00 H new ATOM 0 HH11 ARG A 34 4.178 -14.300 10.997 1.00 0.00 H new ATOM 0 HH12 ARG A 34 4.617 -13.918 12.665 1.00 0.00 H new ATOM 0 HH21 ARG A 34 3.611 -10.547 12.450 1.00 0.00 H new ATOM 0 HH22 ARG A 34 4.298 -11.804 13.483 1.00 0.00 H new ATOM 406 N SER A 35 1.410 -14.003 4.336 1.00 0.00 N ATOM 407 CA SER A 35 0.649 -15.113 3.772 1.00 0.00 C ATOM 408 C SER A 35 0.007 -15.955 4.872 1.00 0.00 C ATOM 409 O SER A 35 0.598 -16.170 5.929 1.00 0.00 O ATOM 410 CB SER A 35 1.556 -15.991 2.908 1.00 0.00 C ATOM 411 OG SER A 35 0.830 -16.579 1.841 1.00 0.00 O ATOM 0 H SER A 35 2.370 -13.936 3.998 1.00 0.00 H new ATOM 0 HA SER A 35 -0.145 -14.696 3.152 1.00 0.00 H new ATOM 0 HB2 SER A 35 2.374 -15.392 2.509 1.00 0.00 H new ATOM 0 HB3 SER A 35 2.003 -16.773 3.522 1.00 0.00 H new ATOM 0 HG SER A 35 1.432 -17.134 1.303 1.00 0.00 H new ATOM 417 N LYS A 36 -1.208 -16.429 4.613 1.00 0.00 N ATOM 418 CA LYS A 36 -1.930 -17.247 5.580 1.00 0.00 C ATOM 419 C LYS A 36 -1.323 -18.645 5.673 1.00 0.00 C ATOM 420 O LYS A 36 -1.515 -19.349 6.665 1.00 0.00 O ATOM 421 CB LYS A 36 -3.408 -17.346 5.194 1.00 0.00 C ATOM 422 CG LYS A 36 -4.060 -15.997 4.940 1.00 0.00 C ATOM 423 CD LYS A 36 -4.815 -15.504 6.165 1.00 0.00 C ATOM 424 CE LYS A 36 -4.940 -13.989 6.169 1.00 0.00 C ATOM 425 NZ LYS A 36 -3.660 -13.327 6.545 1.00 0.00 N ATOM 0 H LYS A 36 -1.712 -16.261 3.742 1.00 0.00 H new ATOM 0 HA LYS A 36 -1.847 -16.768 6.556 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -3.501 -17.960 4.298 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -3.949 -17.858 5.989 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -3.297 -15.269 4.664 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -4.745 -16.076 4.096 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -5.808 -15.952 6.186 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -4.299 -15.830 7.068 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -5.249 -13.648 5.181 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -5.722 -13.691 6.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -3.606 -12.393 6.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -3.619 -13.212 7.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -2.861 -13.913 6.229 1.00 0.00 H new ATOM 439 N GLU A 37 -0.592 -19.044 4.635 1.00 0.00 N ATOM 440 CA GLU A 37 0.039 -20.357 4.603 1.00 0.00 C ATOM 441 C GLU A 37 1.442 -20.304 5.200 1.00 0.00 C ATOM 442 O GLU A 37 1.930 -21.291 5.754 1.00 0.00 O ATOM 443 CB GLU A 37 0.102 -20.878 3.166 1.00 0.00 C ATOM 444 CG GLU A 37 0.783 -22.230 3.035 1.00 0.00 C ATOM 445 CD GLU A 37 2.284 -22.111 2.857 1.00 0.00 C ATOM 446 OE1 GLU A 37 2.722 -21.714 1.757 1.00 0.00 O ATOM 447 OE2 GLU A 37 3.021 -22.417 3.818 1.00 0.00 O ATOM 0 H GLU A 37 -0.423 -18.475 3.805 1.00 0.00 H new ATOM 0 HA GLU A 37 -0.564 -21.037 5.204 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -0.911 -20.952 2.771 1.00 0.00 H new ATOM 0 HB3 GLU A 37 0.632 -20.153 2.549 1.00 0.00 H new ATOM 0 HG2 GLU A 37 0.572 -22.827 3.923 1.00 0.00 H new ATOM 0 HG3 GLU A 37 0.361 -22.765 2.184 1.00 0.00 H new ATOM 454 N ASN A 38 2.091 -19.150 5.081 1.00 0.00 N ATOM 455 CA ASN A 38 3.439 -18.975 5.605 1.00 0.00 C ATOM 456 C ASN A 38 3.705 -17.513 5.958 1.00 0.00 C ATOM 457 O ASN A 38 2.990 -16.617 5.511 1.00 0.00 O ATOM 458 CB ASN A 38 4.472 -19.472 4.589 1.00 0.00 C ATOM 459 CG ASN A 38 4.611 -18.548 3.389 1.00 0.00 C ATOM 460 OD1 ASN A 38 5.685 -18.005 3.134 1.00 0.00 O ATOM 461 ND2 ASN A 38 3.523 -18.367 2.647 1.00 0.00 N ATOM 0 H ASN A 38 1.704 -18.323 4.626 1.00 0.00 H new ATOM 0 HA ASN A 38 3.527 -19.565 6.517 1.00 0.00 H new ATOM 0 HB2 ASN A 38 5.440 -19.570 5.080 1.00 0.00 H new ATOM 0 HB3 ASN A 38 4.187 -20.466 4.245 1.00 0.00 H new ATOM 0 HD21 ASN A 38 3.559 -17.758 1.830 1.00 0.00 H new ATOM 0 HD22 ASN A 38 2.653 -18.837 2.895 1.00 0.00 H new ATOM 468 N HIS A 39 4.741 -17.282 6.759 1.00 0.00 N ATOM 469 CA HIS A 39 5.103 -15.929 7.168 1.00 0.00 C ATOM 470 C HIS A 39 5.676 -15.143 5.993 1.00 0.00 C ATOM 471 O HIS A 39 6.852 -14.775 5.990 1.00 0.00 O ATOM 472 CB HIS A 39 6.116 -15.975 8.313 1.00 0.00 C ATOM 473 CG HIS A 39 5.573 -16.585 9.567 1.00 0.00 C ATOM 474 ND1 HIS A 39 6.353 -17.291 10.460 1.00 0.00 N ATOM 475 CD2 HIS A 39 4.319 -16.594 10.077 1.00 0.00 C ATOM 476 CE1 HIS A 39 5.602 -17.707 11.463 1.00 0.00 C ATOM 477 NE2 HIS A 39 4.365 -17.297 11.256 1.00 0.00 N ATOM 0 H HIS A 39 5.344 -18.013 7.137 1.00 0.00 H new ATOM 0 HA HIS A 39 4.201 -15.424 7.513 1.00 0.00 H new ATOM 0 HB2 HIS A 39 6.990 -16.542 7.992 1.00 0.00 H new ATOM 0 HB3 HIS A 39 6.455 -14.962 8.529 1.00 0.00 H new ATOM 0 HD2 HIS A 39 3.446 -16.134 9.639 1.00 0.00 H new ATOM 0 HE1 HIS A 39 5.942 -18.285 12.309 1.00 0.00 H new ATOM 0 HE2 HIS A 39 3.571 -17.474 11.872 1.00 0.00 H new ATOM 486 N ALA A 40 4.839 -14.890 4.993 1.00 0.00 N ATOM 487 CA ALA A 40 5.258 -14.150 3.811 1.00 0.00 C ATOM 488 C ALA A 40 4.569 -12.792 3.742 1.00 0.00 C ATOM 489 O ALA A 40 3.467 -12.672 3.207 1.00 0.00 O ATOM 490 CB ALA A 40 4.969 -14.958 2.554 1.00 0.00 C ATOM 0 H ALA A 40 3.864 -15.188 4.979 1.00 0.00 H new ATOM 0 HA ALA A 40 6.332 -13.979 3.880 1.00 0.00 H new ATOM 0 HB1 ALA A 40 5.287 -14.393 1.677 1.00 0.00 H new ATOM 0 HB2 ALA A 40 5.513 -15.902 2.595 1.00 0.00 H new ATOM 0 HB3 ALA A 40 3.900 -15.158 2.488 1.00 0.00 H new ATOM 496 N ASP A 41 5.224 -11.772 4.286 1.00 0.00 N ATOM 497 CA ASP A 41 4.675 -10.420 4.287 1.00 0.00 C ATOM 498 C ASP A 41 4.242 -10.002 2.884 1.00 0.00 C ATOM 499 O ASP A 41 5.045 -9.499 2.099 1.00 0.00 O ATOM 500 CB ASP A 41 5.709 -9.430 4.829 1.00 0.00 C ATOM 501 CG ASP A 41 6.019 -9.663 6.294 1.00 0.00 C ATOM 502 OD1 ASP A 41 5.068 -9.700 7.103 1.00 0.00 O ATOM 503 OD2 ASP A 41 7.211 -9.807 6.633 1.00 0.00 O ATOM 0 H ASP A 41 6.137 -11.856 4.733 1.00 0.00 H new ATOM 0 HA ASP A 41 3.797 -10.413 4.933 1.00 0.00 H new ATOM 0 HB2 ASP A 41 6.628 -9.514 4.248 1.00 0.00 H new ATOM 0 HB3 ASP A 41 5.339 -8.413 4.696 1.00 0.00 H new ATOM 508 N LEU A 42 2.964 -10.212 2.576 1.00 0.00 N ATOM 509 CA LEU A 42 2.421 -9.856 1.267 1.00 0.00 C ATOM 510 C LEU A 42 2.753 -8.411 0.913 1.00 0.00 C ATOM 511 O LEU A 42 2.906 -8.065 -0.259 1.00 0.00 O ATOM 512 CB LEU A 42 0.904 -10.050 1.248 1.00 0.00 C ATOM 513 CG LEU A 42 0.413 -11.404 1.755 1.00 0.00 C ATOM 514 CD1 LEU A 42 -1.091 -11.528 1.565 1.00 0.00 C ATOM 515 CD2 LEU A 42 1.137 -12.536 1.044 1.00 0.00 C ATOM 0 H LEU A 42 2.285 -10.627 3.215 1.00 0.00 H new ATOM 0 HA LEU A 42 2.878 -10.512 0.527 1.00 0.00 H new ATOM 0 HB2 LEU A 42 0.446 -9.267 1.852 1.00 0.00 H new ATOM 0 HB3 LEU A 42 0.549 -9.913 0.226 1.00 0.00 H new ATOM 0 HG LEU A 42 0.633 -11.474 2.820 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -1.425 -12.499 1.931 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -1.594 -10.737 2.121 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -1.333 -11.437 0.506 1.00 0.00 H new ATOM 0 HD21 LEU A 42 0.773 -13.493 1.419 1.00 0.00 H new ATOM 0 HD22 LEU A 42 0.949 -12.471 -0.028 1.00 0.00 H new ATOM 0 HD23 LEU A 42 2.208 -12.457 1.230 1.00 0.00 H new ATOM 527 N GLY A 43 2.852 -7.572 1.936 1.00 0.00 N ATOM 528 CA GLY A 43 3.153 -6.171 1.726 1.00 0.00 C ATOM 529 C GLY A 43 2.255 -5.273 2.550 1.00 0.00 C ATOM 530 O GLY A 43 1.548 -5.745 3.438 1.00 0.00 O ATOM 0 H GLY A 43 2.728 -7.840 2.912 1.00 0.00 H new ATOM 0 HA2 GLY A 43 4.194 -5.980 1.985 1.00 0.00 H new ATOM 0 HA3 GLY A 43 3.038 -5.929 0.669 1.00 0.00 H new ATOM 534 N ILE A 44 2.279 -3.978 2.260 1.00 0.00 N ATOM 535 CA ILE A 44 1.454 -3.021 2.990 1.00 0.00 C ATOM 536 C ILE A 44 0.263 -2.579 2.148 1.00 0.00 C ATOM 537 O ILE A 44 0.389 -2.346 0.945 1.00 0.00 O ATOM 538 CB ILE A 44 2.253 -1.773 3.436 1.00 0.00 C ATOM 539 CG1 ILE A 44 3.745 -1.953 3.161 1.00 0.00 C ATOM 540 CG2 ILE A 44 2.019 -1.490 4.912 1.00 0.00 C ATOM 541 CD1 ILE A 44 4.378 -3.081 3.951 1.00 0.00 C ATOM 0 H ILE A 44 2.858 -3.567 1.528 1.00 0.00 H new ATOM 0 HA ILE A 44 1.103 -3.536 3.884 1.00 0.00 H new ATOM 0 HB ILE A 44 1.899 -0.921 2.856 1.00 0.00 H new ATOM 0 HG12 ILE A 44 3.889 -2.141 2.097 1.00 0.00 H new ATOM 0 HG13 ILE A 44 4.263 -1.023 3.394 1.00 0.00 H new ATOM 0 HG21 ILE A 44 2.589 -0.609 5.208 1.00 0.00 H new ATOM 0 HG22 ILE A 44 0.958 -1.311 5.084 1.00 0.00 H new ATOM 0 HG23 ILE A 44 2.343 -2.347 5.503 1.00 0.00 H new ATOM 0 HD11 ILE A 44 5.437 -3.149 3.704 1.00 0.00 H new ATOM 0 HD12 ILE A 44 4.266 -2.886 5.018 1.00 0.00 H new ATOM 0 HD13 ILE A 44 3.886 -4.021 3.701 1.00 0.00 H new ATOM 553 N PHE A 45 -0.889 -2.470 2.793 1.00 0.00 N ATOM 554 CA PHE A 45 -2.117 -2.058 2.116 1.00 0.00 C ATOM 555 C PHE A 45 -2.686 -0.798 2.758 1.00 0.00 C ATOM 556 O PHE A 45 -2.640 -0.638 3.976 1.00 0.00 O ATOM 557 CB PHE A 45 -3.167 -3.178 2.160 1.00 0.00 C ATOM 558 CG PHE A 45 -2.592 -4.559 2.320 1.00 0.00 C ATOM 559 CD1 PHE A 45 -1.489 -4.957 1.582 1.00 0.00 C ATOM 560 CD2 PHE A 45 -3.158 -5.459 3.209 1.00 0.00 C ATOM 561 CE1 PHE A 45 -0.960 -6.226 1.728 1.00 0.00 C ATOM 562 CE2 PHE A 45 -2.636 -6.729 3.358 1.00 0.00 C ATOM 563 CZ PHE A 45 -1.534 -7.113 2.617 1.00 0.00 C ATOM 0 H PHE A 45 -1.003 -2.661 3.788 1.00 0.00 H new ATOM 0 HA PHE A 45 -1.870 -1.848 1.075 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -3.853 -2.985 2.985 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -3.755 -3.146 1.242 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -1.037 -4.268 0.884 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -4.018 -5.164 3.792 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -0.099 -6.523 1.148 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -3.088 -7.421 4.053 1.00 0.00 H new ATOM 0 HZ PHE A 45 -1.123 -8.105 2.733 1.00 0.00 H new ATOM 573 N VAL A 46 -3.226 0.093 1.931 1.00 0.00 N ATOM 574 CA VAL A 46 -3.807 1.337 2.428 1.00 0.00 C ATOM 575 C VAL A 46 -4.856 1.055 3.499 1.00 0.00 C ATOM 576 O VAL A 46 -5.930 0.529 3.211 1.00 0.00 O ATOM 577 CB VAL A 46 -4.449 2.153 1.292 1.00 0.00 C ATOM 578 CG1 VAL A 46 -4.879 3.523 1.796 1.00 0.00 C ATOM 579 CG2 VAL A 46 -3.492 2.284 0.119 1.00 0.00 C ATOM 0 H VAL A 46 -3.273 -0.022 0.919 1.00 0.00 H new ATOM 0 HA VAL A 46 -2.994 1.920 2.861 1.00 0.00 H new ATOM 0 HB VAL A 46 -5.337 1.623 0.947 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -5.331 4.086 0.979 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -5.606 3.403 2.600 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -4.009 4.062 2.171 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -3.965 2.864 -0.673 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -2.583 2.789 0.446 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -3.241 1.293 -0.258 1.00 0.00 H new ATOM 589 N LYS A 47 -4.528 1.401 4.739 1.00 0.00 N ATOM 590 CA LYS A 47 -5.430 1.178 5.863 1.00 0.00 C ATOM 591 C LYS A 47 -6.452 2.303 5.989 1.00 0.00 C ATOM 592 O LYS A 47 -7.619 2.057 6.297 1.00 0.00 O ATOM 593 CB LYS A 47 -4.631 1.051 7.163 1.00 0.00 C ATOM 594 CG LYS A 47 -5.497 0.863 8.398 1.00 0.00 C ATOM 595 CD LYS A 47 -6.288 -0.435 8.335 1.00 0.00 C ATOM 596 CE LYS A 47 -7.747 -0.215 8.701 1.00 0.00 C ATOM 597 NZ LYS A 47 -8.024 -0.575 10.120 1.00 0.00 N ATOM 0 H LYS A 47 -3.642 1.838 4.992 1.00 0.00 H new ATOM 0 HA LYS A 47 -5.970 0.250 5.678 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -3.947 0.206 7.078 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -4.019 1.944 7.292 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -4.868 0.863 9.288 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -6.184 1.704 8.493 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -6.223 -0.854 7.331 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -5.847 -1.165 9.014 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -8.010 0.829 8.533 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -8.380 -0.812 8.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -9.029 -0.411 10.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -7.797 -1.578 10.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -7.439 0.012 10.748 1.00 0.00 H new ATOM 611 N SER A 48 -6.015 3.537 5.756 1.00 0.00 N ATOM 612 CA SER A 48 -6.914 4.684 5.855 1.00 0.00 C ATOM 613 C SER A 48 -6.242 5.951 5.343 1.00 0.00 C ATOM 614 O SER A 48 -5.086 6.220 5.660 1.00 0.00 O ATOM 615 CB SER A 48 -7.366 4.879 7.306 1.00 0.00 C ATOM 616 OG SER A 48 -8.773 4.758 7.422 1.00 0.00 O ATOM 0 H SER A 48 -5.055 3.768 5.500 1.00 0.00 H new ATOM 0 HA SER A 48 -7.787 4.485 5.233 1.00 0.00 H new ATOM 0 HB2 SER A 48 -6.880 4.140 7.944 1.00 0.00 H new ATOM 0 HB3 SER A 48 -7.052 5.861 7.659 1.00 0.00 H new ATOM 0 HG SER A 48 -9.036 4.885 8.357 1.00 0.00 H new ATOM 622 N ILE A 49 -6.976 6.724 4.552 1.00 0.00 N ATOM 623 CA ILE A 49 -6.450 7.963 3.989 1.00 0.00 C ATOM 624 C ILE A 49 -7.043 9.186 4.685 1.00 0.00 C ATOM 625 O ILE A 49 -8.161 9.148 5.197 1.00 0.00 O ATOM 626 CB ILE A 49 -6.735 8.058 2.476 1.00 0.00 C ATOM 627 CG1 ILE A 49 -6.549 6.694 1.809 1.00 0.00 C ATOM 628 CG2 ILE A 49 -5.840 9.098 1.819 1.00 0.00 C ATOM 629 CD1 ILE A 49 -6.810 6.708 0.318 1.00 0.00 C ATOM 0 H ILE A 49 -7.938 6.515 4.285 1.00 0.00 H new ATOM 0 HA ILE A 49 -5.372 7.948 4.150 1.00 0.00 H new ATOM 0 HB ILE A 49 -7.771 8.370 2.345 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -5.531 6.347 1.988 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -7.219 5.974 2.280 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -6.060 9.146 0.753 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -6.022 10.073 2.271 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -4.795 8.821 1.962 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -6.659 5.707 -0.087 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -7.836 7.024 0.131 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -6.123 7.403 -0.165 1.00 0.00 H new ATOM 641 N ILE A 50 -6.276 10.270 4.689 1.00 0.00 N ATOM 642 CA ILE A 50 -6.697 11.523 5.305 1.00 0.00 C ATOM 643 C ILE A 50 -7.115 12.529 4.236 1.00 0.00 C ATOM 644 O ILE A 50 -6.266 13.143 3.593 1.00 0.00 O ATOM 645 CB ILE A 50 -5.562 12.144 6.153 1.00 0.00 C ATOM 646 CG1 ILE A 50 -5.190 11.229 7.323 1.00 0.00 C ATOM 647 CG2 ILE A 50 -5.966 13.519 6.669 1.00 0.00 C ATOM 648 CD1 ILE A 50 -4.216 10.135 6.956 1.00 0.00 C ATOM 0 H ILE A 50 -5.348 10.306 4.267 1.00 0.00 H new ATOM 0 HA ILE A 50 -7.543 11.296 5.954 1.00 0.00 H new ATOM 0 HB ILE A 50 -4.688 12.255 5.512 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -4.759 11.833 8.122 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -6.098 10.776 7.720 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -5.154 13.938 7.263 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -6.176 14.177 5.826 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -6.858 13.427 7.288 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -4.001 9.529 7.836 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -4.651 9.506 6.180 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -3.292 10.580 6.587 1.00 0.00 H new ATOM 660 N ASN A 51 -8.420 12.692 4.051 1.00 0.00 N ATOM 661 CA ASN A 51 -8.938 13.628 3.056 1.00 0.00 C ATOM 662 C ASN A 51 -8.585 15.066 3.427 1.00 0.00 C ATOM 663 O ASN A 51 -9.435 15.823 3.897 1.00 0.00 O ATOM 664 CB ASN A 51 -10.451 13.483 2.919 1.00 0.00 C ATOM 665 CG ASN A 51 -11.154 13.441 4.262 1.00 0.00 C ATOM 666 OD1 ASN A 51 -11.377 12.237 4.775 1.00 0.00 O flip ATOM 667 ND2 ASN A 51 -11.494 14.479 4.829 1.00 0.00 N flip ATOM 0 H ASN A 51 -9.138 12.191 4.574 1.00 0.00 H new ATOM 0 HA ASN A 51 -8.473 13.391 2.099 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -10.841 14.316 2.334 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -10.677 12.572 2.366 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -11.302 15.383 4.397 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -11.968 14.436 5.731 1.00 0.00 H new ATOM 674 N GLY A 52 -7.328 15.432 3.211 1.00 0.00 N ATOM 675 CA GLY A 52 -6.880 16.774 3.525 1.00 0.00 C ATOM 676 C GLY A 52 -5.477 17.061 3.021 1.00 0.00 C ATOM 677 O GLY A 52 -5.134 18.213 2.752 1.00 0.00 O ATOM 0 H GLY A 52 -6.609 14.821 2.823 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -7.572 17.494 3.088 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -6.909 16.918 4.605 1.00 0.00 H new ATOM 681 N GLY A 53 -4.660 16.017 2.893 1.00 0.00 N ATOM 682 CA GLY A 53 -3.298 16.197 2.422 1.00 0.00 C ATOM 683 C GLY A 53 -3.037 15.526 1.088 1.00 0.00 C ATOM 684 O GLY A 53 -3.966 15.096 0.405 1.00 0.00 O ATOM 0 H GLY A 53 -4.917 15.053 3.107 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -3.088 17.263 2.333 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -2.607 15.797 3.164 1.00 0.00 H new ATOM 688 N ALA A 54 -1.763 15.452 0.717 1.00 0.00 N ATOM 689 CA ALA A 54 -1.343 14.848 -0.546 1.00 0.00 C ATOM 690 C ALA A 54 -2.114 13.578 -0.886 1.00 0.00 C ATOM 691 O ALA A 54 -2.706 13.470 -1.960 1.00 0.00 O ATOM 692 CB ALA A 54 0.143 14.548 -0.498 1.00 0.00 C ATOM 0 H ALA A 54 -0.992 15.808 1.282 1.00 0.00 H new ATOM 0 HA ALA A 54 -1.561 15.570 -1.333 1.00 0.00 H new ATOM 0 HB1 ALA A 54 0.454 14.098 -1.441 1.00 0.00 H new ATOM 0 HB2 ALA A 54 0.696 15.474 -0.338 1.00 0.00 H new ATOM 0 HB3 ALA A 54 0.348 13.857 0.319 1.00 0.00 H new ATOM 698 N ALA A 55 -2.089 12.610 0.020 1.00 0.00 N ATOM 699 CA ALA A 55 -2.772 11.340 -0.203 1.00 0.00 C ATOM 700 C ALA A 55 -4.221 11.558 -0.625 1.00 0.00 C ATOM 701 O ALA A 55 -4.781 10.770 -1.389 1.00 0.00 O ATOM 702 CB ALA A 55 -2.707 10.480 1.048 1.00 0.00 C ATOM 0 H ALA A 55 -1.605 12.678 0.915 1.00 0.00 H new ATOM 0 HA ALA A 55 -2.262 10.821 -1.015 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -3.220 9.536 0.867 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -1.665 10.284 1.301 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -3.189 11.003 1.874 1.00 0.00 H new ATOM 708 N SER A 56 -4.819 12.633 -0.131 1.00 0.00 N ATOM 709 CA SER A 56 -6.199 12.959 -0.466 1.00 0.00 C ATOM 710 C SER A 56 -6.279 13.570 -1.854 1.00 0.00 C ATOM 711 O SER A 56 -6.968 13.053 -2.736 1.00 0.00 O ATOM 712 CB SER A 56 -6.769 13.934 0.555 1.00 0.00 C ATOM 713 OG SER A 56 -8.069 14.359 0.182 1.00 0.00 O ATOM 0 H SER A 56 -4.371 13.294 0.503 1.00 0.00 H new ATOM 0 HA SER A 56 -6.783 12.039 -0.451 1.00 0.00 H new ATOM 0 HB2 SER A 56 -6.805 13.459 1.535 1.00 0.00 H new ATOM 0 HB3 SER A 56 -6.111 14.799 0.644 1.00 0.00 H new ATOM 0 HG SER A 56 -8.287 15.193 0.648 1.00 0.00 H new ATOM 719 N LYS A 57 -5.564 14.672 -2.042 1.00 0.00 N ATOM 720 CA LYS A 57 -5.547 15.357 -3.332 1.00 0.00 C ATOM 721 C LYS A 57 -5.056 14.424 -4.432 1.00 0.00 C ATOM 722 O LYS A 57 -5.365 14.618 -5.609 1.00 0.00 O ATOM 723 CB LYS A 57 -4.686 16.623 -3.286 1.00 0.00 C ATOM 724 CG LYS A 57 -3.429 16.502 -2.441 1.00 0.00 C ATOM 725 CD LYS A 57 -3.316 17.653 -1.452 1.00 0.00 C ATOM 726 CE LYS A 57 -1.886 18.154 -1.346 1.00 0.00 C ATOM 727 NZ LYS A 57 -1.823 19.640 -1.253 1.00 0.00 N ATOM 0 H LYS A 57 -4.990 15.111 -1.322 1.00 0.00 H new ATOM 0 HA LYS A 57 -6.571 15.656 -3.556 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -4.400 16.889 -4.304 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -5.290 17.444 -2.900 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -3.441 15.555 -1.901 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -2.552 16.489 -3.089 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -3.967 18.469 -1.765 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -3.663 17.327 -0.471 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -1.412 17.715 -0.468 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -1.319 17.820 -2.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -0.858 19.931 -0.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -2.078 20.056 -2.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -2.489 19.971 -0.526 1.00 0.00 H new ATOM 741 N ASP A 58 -4.291 13.406 -4.044 1.00 0.00 N ATOM 742 CA ASP A 58 -3.760 12.440 -4.998 1.00 0.00 C ATOM 743 C ASP A 58 -4.882 11.852 -5.847 1.00 0.00 C ATOM 744 O ASP A 58 -4.800 11.824 -7.075 1.00 0.00 O ATOM 745 CB ASP A 58 -3.018 11.321 -4.261 1.00 0.00 C ATOM 746 CG ASP A 58 -1.533 11.314 -4.564 1.00 0.00 C ATOM 747 OD1 ASP A 58 -1.031 12.331 -5.085 1.00 0.00 O ATOM 748 OD2 ASP A 58 -0.873 10.294 -4.278 1.00 0.00 O ATOM 0 H ASP A 58 -4.026 13.230 -3.075 1.00 0.00 H new ATOM 0 HA ASP A 58 -3.060 12.956 -5.656 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -3.166 11.437 -3.187 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -3.447 10.359 -4.540 1.00 0.00 H new ATOM 753 N GLY A 59 -5.933 11.385 -5.182 1.00 0.00 N ATOM 754 CA GLY A 59 -7.063 10.807 -5.887 1.00 0.00 C ATOM 755 C GLY A 59 -6.700 9.549 -6.656 1.00 0.00 C ATOM 756 O GLY A 59 -7.468 9.092 -7.503 1.00 0.00 O ATOM 0 H GLY A 59 -6.023 11.396 -4.166 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -7.851 10.574 -5.171 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -7.469 11.545 -6.579 1.00 0.00 H new ATOM 760 N ARG A 60 -5.533 8.985 -6.360 1.00 0.00 N ATOM 761 CA ARG A 60 -5.081 7.772 -7.033 1.00 0.00 C ATOM 762 C ARG A 60 -4.925 6.621 -6.039 1.00 0.00 C ATOM 763 O ARG A 60 -4.779 5.464 -6.434 1.00 0.00 O ATOM 764 CB ARG A 60 -3.752 8.023 -7.748 1.00 0.00 C ATOM 765 CG ARG A 60 -3.784 9.212 -8.693 1.00 0.00 C ATOM 766 CD ARG A 60 -2.390 9.774 -8.932 1.00 0.00 C ATOM 767 NE ARG A 60 -2.164 11.011 -8.190 1.00 0.00 N ATOM 768 CZ ARG A 60 -1.179 11.868 -8.456 1.00 0.00 C ATOM 769 NH1 ARG A 60 -0.312 11.614 -9.429 1.00 0.00 N ATOM 770 NH2 ARG A 60 -1.054 12.978 -7.743 1.00 0.00 N ATOM 0 H ARG A 60 -4.885 9.347 -5.661 1.00 0.00 H new ATOM 0 HA ARG A 60 -5.836 7.495 -7.769 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -2.973 8.183 -7.003 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -3.477 7.130 -8.310 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -4.223 8.910 -9.644 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -4.425 9.990 -8.278 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -1.646 9.034 -8.638 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -2.252 9.960 -9.997 1.00 0.00 H new ATOM 0 HE ARG A 60 -2.798 11.232 -7.422 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -0.398 10.759 -9.978 1.00 0.00 H new ATOM 0 HH12 ARG A 60 0.440 12.274 -9.627 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -1.712 13.177 -6.990 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -0.300 13.633 -7.948 1.00 0.00 H new ATOM 784 N LEU A 61 -4.950 6.948 -4.750 1.00 0.00 N ATOM 785 CA LEU A 61 -4.805 5.945 -3.703 1.00 0.00 C ATOM 786 C LEU A 61 -6.150 5.312 -3.363 1.00 0.00 C ATOM 787 O LEU A 61 -7.194 5.955 -3.464 1.00 0.00 O ATOM 788 CB LEU A 61 -4.196 6.578 -2.449 1.00 0.00 C ATOM 789 CG LEU A 61 -2.712 6.939 -2.553 1.00 0.00 C ATOM 790 CD1 LEU A 61 -1.852 5.687 -2.495 1.00 0.00 C ATOM 791 CD2 LEU A 61 -2.434 7.720 -3.831 1.00 0.00 C ATOM 0 H LEU A 61 -5.069 7.901 -4.407 1.00 0.00 H new ATOM 0 HA LEU A 61 -4.140 5.163 -4.071 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -4.757 7.481 -2.209 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -4.328 5.890 -1.614 1.00 0.00 H new ATOM 0 HG LEU A 61 -2.456 7.573 -1.704 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -0.800 5.964 -2.570 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -2.024 5.171 -1.551 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -2.114 5.027 -3.322 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -1.373 7.966 -3.884 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -2.710 7.115 -4.695 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -3.020 8.639 -3.830 1.00 0.00 H new ATOM 803 N ARG A 62 -6.114 4.049 -2.955 1.00 0.00 N ATOM 804 CA ARG A 62 -7.328 3.327 -2.592 1.00 0.00 C ATOM 805 C ARG A 62 -7.121 2.537 -1.304 1.00 0.00 C ATOM 806 O ARG A 62 -6.076 1.915 -1.110 1.00 0.00 O ATOM 807 CB ARG A 62 -7.745 2.386 -3.725 1.00 0.00 C ATOM 808 CG ARG A 62 -9.194 2.552 -4.152 1.00 0.00 C ATOM 809 CD ARG A 62 -9.321 3.515 -5.320 1.00 0.00 C ATOM 810 NE ARG A 62 -9.128 4.903 -4.907 1.00 0.00 N ATOM 811 CZ ARG A 62 -8.790 5.886 -5.740 1.00 0.00 C ATOM 812 NH1 ARG A 62 -8.610 5.638 -7.032 1.00 0.00 N ATOM 813 NH2 ARG A 62 -8.634 7.120 -5.281 1.00 0.00 N ATOM 0 H ARG A 62 -5.257 3.503 -2.867 1.00 0.00 H new ATOM 0 HA ARG A 62 -8.122 4.055 -2.427 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -7.099 2.559 -4.586 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -7.584 1.356 -3.408 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -9.606 1.582 -4.432 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -9.783 2.918 -3.311 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -8.587 3.258 -6.083 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -10.305 3.405 -5.775 1.00 0.00 H new ATOM 0 HE ARG A 62 -9.260 5.133 -3.922 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -8.731 4.691 -7.391 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -8.351 6.395 -7.665 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -8.773 7.317 -4.290 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -8.375 7.873 -5.919 1.00 0.00 H new ATOM 827 N VAL A 63 -8.120 2.564 -0.428 1.00 0.00 N ATOM 828 CA VAL A 63 -8.042 1.849 0.841 1.00 0.00 C ATOM 829 C VAL A 63 -8.060 0.339 0.621 1.00 0.00 C ATOM 830 O VAL A 63 -9.032 -0.338 0.955 1.00 0.00 O ATOM 831 CB VAL A 63 -9.202 2.238 1.779 1.00 0.00 C ATOM 832 CG1 VAL A 63 -8.958 1.702 3.181 1.00 0.00 C ATOM 833 CG2 VAL A 63 -9.383 3.750 1.806 1.00 0.00 C ATOM 0 H VAL A 63 -8.992 3.073 -0.573 1.00 0.00 H new ATOM 0 HA VAL A 63 -7.099 2.134 1.309 1.00 0.00 H new ATOM 0 HB VAL A 63 -10.119 1.790 1.396 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -9.787 1.987 3.829 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -8.881 0.615 3.147 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -8.031 2.119 3.574 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -10.206 4.006 2.473 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -8.467 4.220 2.163 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -9.606 4.108 0.801 1.00 0.00 H new ATOM 843 N ASN A 64 -6.974 -0.182 0.053 1.00 0.00 N ATOM 844 CA ASN A 64 -6.853 -1.615 -0.220 1.00 0.00 C ATOM 845 C ASN A 64 -5.644 -1.911 -1.112 1.00 0.00 C ATOM 846 O ASN A 64 -5.139 -3.034 -1.130 1.00 0.00 O ATOM 847 CB ASN A 64 -8.124 -2.149 -0.886 1.00 0.00 C ATOM 848 CG ASN A 64 -8.663 -1.210 -1.948 1.00 0.00 C ATOM 849 OD1 ASN A 64 -8.173 -1.183 -3.076 1.00 0.00 O ATOM 850 ND2 ASN A 64 -9.677 -0.433 -1.588 1.00 0.00 N ATOM 0 H ASN A 64 -6.162 0.368 -0.228 1.00 0.00 H new ATOM 0 HA ASN A 64 -6.711 -2.118 0.737 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -7.914 -3.119 -1.336 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -8.889 -2.309 -0.126 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -10.082 0.221 -2.258 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -10.052 -0.489 -0.641 1.00 0.00 H new ATOM 857 N ASP A 65 -5.188 -0.903 -1.856 1.00 0.00 N ATOM 858 CA ASP A 65 -4.047 -1.063 -2.751 1.00 0.00 C ATOM 859 C ASP A 65 -2.833 -1.604 -2.003 1.00 0.00 C ATOM 860 O ASP A 65 -2.596 -1.249 -0.848 1.00 0.00 O ATOM 861 CB ASP A 65 -3.701 0.274 -3.412 1.00 0.00 C ATOM 862 CG ASP A 65 -3.611 0.165 -4.921 1.00 0.00 C ATOM 863 OD1 ASP A 65 -3.051 -0.837 -5.412 1.00 0.00 O ATOM 864 OD2 ASP A 65 -4.099 1.084 -5.613 1.00 0.00 O ATOM 0 H ASP A 65 -5.593 0.033 -1.855 1.00 0.00 H new ATOM 0 HA ASP A 65 -4.322 -1.783 -3.522 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -4.457 1.013 -3.148 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -2.751 0.636 -3.019 1.00 0.00 H new ATOM 869 N GLN A 66 -2.072 -2.465 -2.672 1.00 0.00 N ATOM 870 CA GLN A 66 -0.883 -3.064 -2.076 1.00 0.00 C ATOM 871 C GLN A 66 0.376 -2.306 -2.486 1.00 0.00 C ATOM 872 O GLN A 66 0.773 -2.328 -3.652 1.00 0.00 O ATOM 873 CB GLN A 66 -0.765 -4.531 -2.497 1.00 0.00 C ATOM 874 CG GLN A 66 0.099 -5.370 -1.570 1.00 0.00 C ATOM 875 CD GLN A 66 1.524 -4.862 -1.479 1.00 0.00 C ATOM 876 OE1 GLN A 66 1.941 -4.327 -0.451 1.00 0.00 O ATOM 877 NE2 GLN A 66 2.282 -5.027 -2.558 1.00 0.00 N ATOM 0 H GLN A 66 -2.258 -2.764 -3.629 1.00 0.00 H new ATOM 0 HA GLN A 66 -0.982 -3.006 -0.992 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -1.763 -4.967 -2.542 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -0.351 -4.578 -3.504 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -0.344 -5.377 -0.574 1.00 0.00 H new ATOM 0 HG3 GLN A 66 0.107 -6.401 -1.922 1.00 0.00 H new ATOM 0 HE21 GLN A 66 1.896 -5.476 -3.389 1.00 0.00 H new ATOM 0 HE22 GLN A 66 3.250 -4.705 -2.555 1.00 0.00 H new ATOM 886 N LEU A 67 1.008 -1.642 -1.521 1.00 0.00 N ATOM 887 CA LEU A 67 2.227 -0.888 -1.786 1.00 0.00 C ATOM 888 C LEU A 67 3.330 -1.818 -2.281 1.00 0.00 C ATOM 889 O LEU A 67 3.526 -2.905 -1.737 1.00 0.00 O ATOM 890 CB LEU A 67 2.687 -0.156 -0.524 1.00 0.00 C ATOM 891 CG LEU A 67 1.756 0.962 -0.048 1.00 0.00 C ATOM 892 CD1 LEU A 67 2.124 1.398 1.362 1.00 0.00 C ATOM 893 CD2 LEU A 67 1.810 2.143 -1.006 1.00 0.00 C ATOM 0 H LEU A 67 0.695 -1.612 -0.551 1.00 0.00 H new ATOM 0 HA LEU A 67 2.014 -0.152 -2.561 1.00 0.00 H new ATOM 0 HB2 LEU A 67 2.797 -0.884 0.280 1.00 0.00 H new ATOM 0 HB3 LEU A 67 3.674 0.268 -0.708 1.00 0.00 H new ATOM 0 HG LEU A 67 0.736 0.579 -0.032 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.452 2.193 1.684 1.00 0.00 H new ATOM 0 HD12 LEU A 67 2.034 0.550 2.040 1.00 0.00 H new ATOM 0 HD13 LEU A 67 3.151 1.764 1.373 1.00 0.00 H new ATOM 0 HD21 LEU A 67 1.142 2.929 -0.653 1.00 0.00 H new ATOM 0 HD22 LEU A 67 2.829 2.527 -1.053 1.00 0.00 H new ATOM 0 HD23 LEU A 67 1.497 1.820 -1.999 1.00 0.00 H new ATOM 905 N ILE A 68 4.043 -1.393 -3.319 1.00 0.00 N ATOM 906 CA ILE A 68 5.113 -2.206 -3.883 1.00 0.00 C ATOM 907 C ILE A 68 6.443 -1.456 -3.924 1.00 0.00 C ATOM 908 O ILE A 68 7.503 -2.060 -3.771 1.00 0.00 O ATOM 909 CB ILE A 68 4.764 -2.683 -5.306 1.00 0.00 C ATOM 910 CG1 ILE A 68 3.359 -3.288 -5.332 1.00 0.00 C ATOM 911 CG2 ILE A 68 5.792 -3.694 -5.794 1.00 0.00 C ATOM 912 CD1 ILE A 68 2.954 -3.818 -6.690 1.00 0.00 C ATOM 0 H ILE A 68 3.900 -0.496 -3.784 1.00 0.00 H new ATOM 0 HA ILE A 68 5.218 -3.069 -3.225 1.00 0.00 H new ATOM 0 HB ILE A 68 4.783 -1.824 -5.977 1.00 0.00 H new ATOM 0 HG12 ILE A 68 3.308 -4.098 -4.605 1.00 0.00 H new ATOM 0 HG13 ILE A 68 2.640 -2.531 -5.017 1.00 0.00 H new ATOM 0 HG21 ILE A 68 5.531 -4.021 -6.801 1.00 0.00 H new ATOM 0 HG22 ILE A 68 6.779 -3.232 -5.807 1.00 0.00 H new ATOM 0 HG23 ILE A 68 5.803 -4.554 -5.124 1.00 0.00 H new ATOM 0 HD11 ILE A 68 1.947 -4.232 -6.634 1.00 0.00 H new ATOM 0 HD12 ILE A 68 2.973 -3.007 -7.418 1.00 0.00 H new ATOM 0 HD13 ILE A 68 3.650 -4.598 -6.999 1.00 0.00 H new ATOM 924 N ALA A 69 6.388 -0.144 -4.142 1.00 0.00 N ATOM 925 CA ALA A 69 7.606 0.657 -4.207 1.00 0.00 C ATOM 926 C ALA A 69 7.351 2.109 -3.822 1.00 0.00 C ATOM 927 O ALA A 69 6.208 2.528 -3.640 1.00 0.00 O ATOM 928 CB ALA A 69 8.208 0.580 -5.601 1.00 0.00 C ATOM 0 H ALA A 69 5.524 0.381 -4.275 1.00 0.00 H new ATOM 0 HA ALA A 69 8.312 0.245 -3.485 1.00 0.00 H new ATOM 0 HB1 ALA A 69 9.116 1.181 -5.639 1.00 0.00 H new ATOM 0 HB2 ALA A 69 8.449 -0.457 -5.837 1.00 0.00 H new ATOM 0 HB3 ALA A 69 7.491 0.960 -6.329 1.00 0.00 H new ATOM 934 N VAL A 70 8.434 2.872 -3.701 1.00 0.00 N ATOM 935 CA VAL A 70 8.349 4.282 -3.341 1.00 0.00 C ATOM 936 C VAL A 70 9.606 5.029 -3.784 1.00 0.00 C ATOM 937 O VAL A 70 10.665 4.901 -3.171 1.00 0.00 O ATOM 938 CB VAL A 70 8.158 4.462 -1.821 1.00 0.00 C ATOM 939 CG1 VAL A 70 9.279 3.778 -1.056 1.00 0.00 C ATOM 940 CG2 VAL A 70 8.076 5.937 -1.455 1.00 0.00 C ATOM 0 H VAL A 70 9.385 2.534 -3.848 1.00 0.00 H new ATOM 0 HA VAL A 70 7.482 4.696 -3.855 1.00 0.00 H new ATOM 0 HB VAL A 70 7.216 3.992 -1.539 1.00 0.00 H new ATOM 0 HG11 VAL A 70 9.126 3.916 0.014 1.00 0.00 H new ATOM 0 HG12 VAL A 70 9.280 2.713 -1.288 1.00 0.00 H new ATOM 0 HG13 VAL A 70 10.235 4.213 -1.345 1.00 0.00 H new ATOM 0 HG21 VAL A 70 7.941 6.038 -0.378 1.00 0.00 H new ATOM 0 HG22 VAL A 70 8.997 6.438 -1.754 1.00 0.00 H new ATOM 0 HG23 VAL A 70 7.231 6.393 -1.971 1.00 0.00 H new ATOM 950 N ASN A 71 9.479 5.808 -4.855 1.00 0.00 N ATOM 951 CA ASN A 71 10.605 6.572 -5.382 1.00 0.00 C ATOM 952 C ASN A 71 11.746 5.645 -5.786 1.00 0.00 C ATOM 953 O ASN A 71 12.919 5.977 -5.616 1.00 0.00 O ATOM 954 CB ASN A 71 11.099 7.581 -4.344 1.00 0.00 C ATOM 955 CG ASN A 71 9.983 8.456 -3.812 1.00 0.00 C ATOM 956 OD1 ASN A 71 9.416 9.272 -4.540 1.00 0.00 O ATOM 957 ND2 ASN A 71 9.663 8.293 -2.535 1.00 0.00 N ATOM 0 H ASN A 71 8.609 5.926 -5.374 1.00 0.00 H new ATOM 0 HA ASN A 71 10.263 7.110 -6.266 1.00 0.00 H new ATOM 0 HB2 ASN A 71 11.565 7.047 -3.516 1.00 0.00 H new ATOM 0 HB3 ASN A 71 11.869 8.210 -4.791 1.00 0.00 H new ATOM 0 HD21 ASN A 71 8.921 8.856 -2.119 1.00 0.00 H new ATOM 0 HD22 ASN A 71 10.159 7.605 -1.969 1.00 0.00 H new ATOM 964 N GLY A 72 11.395 4.479 -6.319 1.00 0.00 N ATOM 965 CA GLY A 72 12.402 3.521 -6.732 1.00 0.00 C ATOM 966 C GLY A 72 12.730 2.515 -5.646 1.00 0.00 C ATOM 967 O GLY A 72 13.316 1.467 -5.920 1.00 0.00 O ATOM 0 H GLY A 72 10.431 4.181 -6.472 1.00 0.00 H new ATOM 0 HA2 GLY A 72 12.053 2.992 -7.619 1.00 0.00 H new ATOM 0 HA3 GLY A 72 13.310 4.053 -7.015 1.00 0.00 H new ATOM 971 N GLU A 73 12.351 2.831 -4.411 1.00 0.00 N ATOM 972 CA GLU A 73 12.609 1.943 -3.284 1.00 0.00 C ATOM 973 C GLU A 73 11.610 0.792 -3.263 1.00 0.00 C ATOM 974 O GLU A 73 10.484 0.942 -2.787 1.00 0.00 O ATOM 975 CB GLU A 73 12.539 2.720 -1.968 1.00 0.00 C ATOM 976 CG GLU A 73 13.261 2.035 -0.819 1.00 0.00 C ATOM 977 CD GLU A 73 14.703 1.703 -1.150 1.00 0.00 C ATOM 978 OE1 GLU A 73 15.396 2.572 -1.719 1.00 0.00 O ATOM 979 OE2 GLU A 73 15.139 0.574 -0.841 1.00 0.00 O ATOM 0 H GLU A 73 11.865 3.694 -4.166 1.00 0.00 H new ATOM 0 HA GLU A 73 13.611 1.530 -3.399 1.00 0.00 H new ATOM 0 HB2 GLU A 73 12.968 3.711 -2.117 1.00 0.00 H new ATOM 0 HB3 GLU A 73 11.493 2.864 -1.695 1.00 0.00 H new ATOM 0 HG2 GLU A 73 13.233 2.681 0.059 1.00 0.00 H new ATOM 0 HG3 GLU A 73 12.732 1.119 -0.558 1.00 0.00 H new ATOM 986 N SER A 74 12.029 -0.355 -3.783 1.00 0.00 N ATOM 987 CA SER A 74 11.172 -1.533 -3.828 1.00 0.00 C ATOM 988 C SER A 74 10.804 -1.995 -2.422 1.00 0.00 C ATOM 989 O SER A 74 11.676 -2.283 -1.603 1.00 0.00 O ATOM 990 CB SER A 74 11.870 -2.665 -4.586 1.00 0.00 C ATOM 991 OG SER A 74 11.246 -3.912 -4.328 1.00 0.00 O ATOM 0 H SER A 74 12.958 -0.495 -4.180 1.00 0.00 H new ATOM 0 HA SER A 74 10.254 -1.265 -4.351 1.00 0.00 H new ATOM 0 HB2 SER A 74 11.848 -2.458 -5.656 1.00 0.00 H new ATOM 0 HB3 SER A 74 12.919 -2.712 -4.292 1.00 0.00 H new ATOM 0 HG SER A 74 11.709 -4.619 -4.825 1.00 0.00 H new ATOM 997 N LEU A 75 9.506 -2.062 -2.153 1.00 0.00 N ATOM 998 CA LEU A 75 9.013 -2.487 -0.848 1.00 0.00 C ATOM 999 C LEU A 75 8.849 -4.004 -0.782 1.00 0.00 C ATOM 1000 O LEU A 75 8.706 -4.573 0.299 1.00 0.00 O ATOM 1001 CB LEU A 75 7.677 -1.805 -0.540 1.00 0.00 C ATOM 1002 CG LEU A 75 7.774 -0.360 -0.049 1.00 0.00 C ATOM 1003 CD1 LEU A 75 6.414 0.134 0.422 1.00 0.00 C ATOM 1004 CD2 LEU A 75 8.801 -0.239 1.069 1.00 0.00 C ATOM 0 H LEU A 75 8.774 -1.827 -2.823 1.00 0.00 H new ATOM 0 HA LEU A 75 9.750 -2.192 -0.101 1.00 0.00 H new ATOM 0 HB2 LEU A 75 7.063 -1.824 -1.440 1.00 0.00 H new ATOM 0 HB3 LEU A 75 7.154 -2.393 0.215 1.00 0.00 H new ATOM 0 HG LEU A 75 8.100 0.263 -0.882 1.00 0.00 H new ATOM 0 HD11 LEU A 75 6.501 1.164 0.768 1.00 0.00 H new ATOM 0 HD12 LEU A 75 5.704 0.087 -0.404 1.00 0.00 H new ATOM 0 HD13 LEU A 75 6.062 -0.495 1.239 1.00 0.00 H new ATOM 0 HD21 LEU A 75 8.854 0.797 1.404 1.00 0.00 H new ATOM 0 HD22 LEU A 75 8.507 -0.875 1.904 1.00 0.00 H new ATOM 0 HD23 LEU A 75 9.778 -0.552 0.701 1.00 0.00 H new ATOM 1016 N LEU A 76 8.866 -4.656 -1.945 1.00 0.00 N ATOM 1017 CA LEU A 76 8.714 -6.108 -2.016 1.00 0.00 C ATOM 1018 C LEU A 76 9.592 -6.812 -0.984 1.00 0.00 C ATOM 1019 O LEU A 76 9.091 -7.504 -0.098 1.00 0.00 O ATOM 1020 CB LEU A 76 9.063 -6.607 -3.420 1.00 0.00 C ATOM 1021 CG LEU A 76 8.014 -6.308 -4.494 1.00 0.00 C ATOM 1022 CD1 LEU A 76 8.683 -6.045 -5.834 1.00 0.00 C ATOM 1023 CD2 LEU A 76 7.024 -7.457 -4.604 1.00 0.00 C ATOM 0 H LEU A 76 8.984 -4.201 -2.850 1.00 0.00 H new ATOM 0 HA LEU A 76 7.673 -6.345 -1.795 1.00 0.00 H new ATOM 0 HB2 LEU A 76 10.009 -6.159 -3.723 1.00 0.00 H new ATOM 0 HB3 LEU A 76 9.220 -7.685 -3.377 1.00 0.00 H new ATOM 0 HG LEU A 76 7.467 -5.411 -4.203 1.00 0.00 H new ATOM 0 HD11 LEU A 76 7.922 -5.834 -6.585 1.00 0.00 H new ATOM 0 HD12 LEU A 76 9.352 -5.189 -5.745 1.00 0.00 H new ATOM 0 HD13 LEU A 76 9.255 -6.923 -6.133 1.00 0.00 H new ATOM 0 HD21 LEU A 76 6.285 -7.228 -5.372 1.00 0.00 H new ATOM 0 HD22 LEU A 76 7.555 -8.370 -4.872 1.00 0.00 H new ATOM 0 HD23 LEU A 76 6.521 -7.597 -3.647 1.00 0.00 H new ATOM 1035 N GLY A 77 10.902 -6.631 -1.106 1.00 0.00 N ATOM 1036 CA GLY A 77 11.825 -7.255 -0.177 1.00 0.00 C ATOM 1037 C GLY A 77 11.597 -6.814 1.257 1.00 0.00 C ATOM 1038 O GLY A 77 11.907 -7.547 2.195 1.00 0.00 O ATOM 0 H GLY A 77 11.341 -6.064 -1.831 1.00 0.00 H new ATOM 0 HA2 GLY A 77 11.722 -8.338 -0.241 1.00 0.00 H new ATOM 0 HA3 GLY A 77 12.847 -7.014 -0.469 1.00 0.00 H new ATOM 1042 N LYS A 78 11.053 -5.612 1.425 1.00 0.00 N ATOM 1043 CA LYS A 78 10.785 -5.072 2.751 1.00 0.00 C ATOM 1044 C LYS A 78 9.518 -5.668 3.346 1.00 0.00 C ATOM 1045 O LYS A 78 8.474 -5.722 2.695 1.00 0.00 O ATOM 1046 CB LYS A 78 10.658 -3.553 2.689 1.00 0.00 C ATOM 1047 CG LYS A 78 11.996 -2.838 2.635 1.00 0.00 C ATOM 1048 CD LYS A 78 11.890 -1.425 3.178 1.00 0.00 C ATOM 1049 CE LYS A 78 12.961 -1.142 4.216 1.00 0.00 C ATOM 1050 NZ LYS A 78 14.184 -0.549 3.608 1.00 0.00 N ATOM 0 H LYS A 78 10.789 -4.994 0.657 1.00 0.00 H new ATOM 0 HA LYS A 78 11.624 -5.339 3.393 1.00 0.00 H new ATOM 0 HB2 LYS A 78 10.073 -3.280 1.811 1.00 0.00 H new ATOM 0 HB3 LYS A 78 10.104 -3.206 3.561 1.00 0.00 H new ATOM 0 HG2 LYS A 78 12.733 -3.397 3.212 1.00 0.00 H new ATOM 0 HG3 LYS A 78 12.353 -2.808 1.606 1.00 0.00 H new ATOM 0 HD2 LYS A 78 11.980 -0.712 2.358 1.00 0.00 H new ATOM 0 HD3 LYS A 78 10.905 -1.278 3.621 1.00 0.00 H new ATOM 0 HE2 LYS A 78 12.565 -0.462 4.970 1.00 0.00 H new ATOM 0 HE3 LYS A 78 13.223 -2.068 4.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 14.883 -0.356 4.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 14.587 -1.216 2.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 13.937 0.339 3.127 1.00 0.00 H new ATOM 1064 N ALA A 79 9.619 -6.100 4.595 1.00 0.00 N ATOM 1065 CA ALA A 79 8.491 -6.678 5.301 1.00 0.00 C ATOM 1066 C ALA A 79 7.546 -5.581 5.768 1.00 0.00 C ATOM 1067 O ALA A 79 7.712 -4.416 5.408 1.00 0.00 O ATOM 1068 CB ALA A 79 8.980 -7.501 6.481 1.00 0.00 C ATOM 0 H ALA A 79 10.479 -6.059 5.142 1.00 0.00 H new ATOM 0 HA ALA A 79 7.947 -7.335 4.622 1.00 0.00 H new ATOM 0 HB1 ALA A 79 8.126 -7.930 7.004 1.00 0.00 H new ATOM 0 HB2 ALA A 79 9.626 -8.302 6.123 1.00 0.00 H new ATOM 0 HB3 ALA A 79 9.539 -6.861 7.164 1.00 0.00 H new ATOM 1074 N ASN A 80 6.557 -5.951 6.568 1.00 0.00 N ATOM 1075 CA ASN A 80 5.594 -4.984 7.077 1.00 0.00 C ATOM 1076 C ASN A 80 6.301 -3.791 7.717 1.00 0.00 C ATOM 1077 O ASN A 80 6.112 -2.649 7.300 1.00 0.00 O ATOM 1078 CB ASN A 80 4.663 -5.645 8.097 1.00 0.00 C ATOM 1079 CG ASN A 80 4.151 -6.998 7.640 1.00 0.00 C ATOM 1080 OD1 ASN A 80 3.908 -7.139 6.341 1.00 0.00 O flip ATOM 1081 ND2 ASN A 80 3.976 -7.911 8.448 1.00 0.00 N flip ATOM 0 H ASN A 80 6.400 -6.910 6.878 1.00 0.00 H new ATOM 0 HA ASN A 80 5.003 -4.624 6.235 1.00 0.00 H new ATOM 0 HB2 ASN A 80 5.193 -5.763 9.042 1.00 0.00 H new ATOM 0 HB3 ASN A 80 3.815 -4.987 8.287 1.00 0.00 H new ATOM 0 HD21 ASN A 80 4.175 -7.762 9.437 1.00 0.00 H new ATOM 0 HD22 ASN A 80 3.632 -8.816 8.128 1.00 0.00 H new ATOM 1088 N GLN A 81 7.110 -4.068 8.734 1.00 0.00 N ATOM 1089 CA GLN A 81 7.840 -3.021 9.445 1.00 0.00 C ATOM 1090 C GLN A 81 8.812 -2.280 8.529 1.00 0.00 C ATOM 1091 O GLN A 81 8.885 -1.052 8.556 1.00 0.00 O ATOM 1092 CB GLN A 81 8.598 -3.610 10.640 1.00 0.00 C ATOM 1093 CG GLN A 81 9.267 -4.945 10.347 1.00 0.00 C ATOM 1094 CD GLN A 81 10.731 -4.965 10.745 1.00 0.00 C ATOM 1095 OE1 GLN A 81 11.576 -4.354 9.924 1.00 0.00 O flip ATOM 1096 NE2 GLN A 81 11.097 -5.525 11.780 1.00 0.00 N flip ATOM 0 H GLN A 81 7.278 -5.010 9.086 1.00 0.00 H new ATOM 0 HA GLN A 81 7.103 -2.302 9.803 1.00 0.00 H new ATOM 0 HB2 GLN A 81 9.357 -2.898 10.964 1.00 0.00 H new ATOM 0 HB3 GLN A 81 7.904 -3.737 11.471 1.00 0.00 H new ATOM 0 HG2 GLN A 81 8.739 -5.736 10.879 1.00 0.00 H new ATOM 0 HG3 GLN A 81 9.181 -5.164 9.283 1.00 0.00 H new ATOM 0 HE21 GLN A 81 10.412 -5.982 12.382 1.00 0.00 H new ATOM 0 HE22 GLN A 81 12.085 -5.531 12.035 1.00 0.00 H new ATOM 1105 N GLU A 82 9.560 -3.026 7.724 1.00 0.00 N ATOM 1106 CA GLU A 82 10.529 -2.425 6.814 1.00 0.00 C ATOM 1107 C GLU A 82 9.851 -1.486 5.834 1.00 0.00 C ATOM 1108 O GLU A 82 10.237 -0.325 5.698 1.00 0.00 O ATOM 1109 CB GLU A 82 11.266 -3.510 6.034 1.00 0.00 C ATOM 1110 CG GLU A 82 12.506 -4.015 6.732 1.00 0.00 C ATOM 1111 CD GLU A 82 13.422 -4.797 5.811 1.00 0.00 C ATOM 1112 OE1 GLU A 82 12.951 -5.779 5.200 1.00 0.00 O ATOM 1113 OE2 GLU A 82 14.610 -4.426 5.698 1.00 0.00 O ATOM 0 H GLU A 82 9.515 -4.044 7.682 1.00 0.00 H new ATOM 0 HA GLU A 82 11.238 -1.856 7.416 1.00 0.00 H new ATOM 0 HB2 GLU A 82 10.589 -4.347 5.862 1.00 0.00 H new ATOM 0 HB3 GLU A 82 11.543 -3.118 5.055 1.00 0.00 H new ATOM 0 HG2 GLU A 82 13.053 -3.169 7.148 1.00 0.00 H new ATOM 0 HG3 GLU A 82 12.213 -4.648 7.569 1.00 0.00 H new ATOM 1120 N ALA A 83 8.841 -2.000 5.148 1.00 0.00 N ATOM 1121 CA ALA A 83 8.111 -1.207 4.173 1.00 0.00 C ATOM 1122 C ALA A 83 7.458 -0.019 4.852 1.00 0.00 C ATOM 1123 O ALA A 83 7.358 1.063 4.277 1.00 0.00 O ATOM 1124 CB ALA A 83 7.079 -2.059 3.453 1.00 0.00 C ATOM 0 H ALA A 83 8.510 -2.959 5.249 1.00 0.00 H new ATOM 0 HA ALA A 83 8.813 -0.834 3.428 1.00 0.00 H new ATOM 0 HB1 ALA A 83 6.544 -1.446 2.728 1.00 0.00 H new ATOM 0 HB2 ALA A 83 7.580 -2.878 2.937 1.00 0.00 H new ATOM 0 HB3 ALA A 83 6.372 -2.464 4.177 1.00 0.00 H new ATOM 1130 N MET A 84 7.038 -0.221 6.096 1.00 0.00 N ATOM 1131 CA MET A 84 6.427 0.848 6.862 1.00 0.00 C ATOM 1132 C MET A 84 7.482 1.880 7.241 1.00 0.00 C ATOM 1133 O MET A 84 7.173 3.046 7.484 1.00 0.00 O ATOM 1134 CB MET A 84 5.738 0.303 8.106 1.00 0.00 C ATOM 1135 CG MET A 84 4.235 0.211 7.937 1.00 0.00 C ATOM 1136 SD MET A 84 3.437 -0.636 9.304 1.00 0.00 S ATOM 1137 CE MET A 84 4.176 -2.248 9.117 1.00 0.00 C ATOM 0 H MET A 84 7.111 -1.111 6.589 1.00 0.00 H new ATOM 0 HA MET A 84 5.667 1.328 6.245 1.00 0.00 H new ATOM 0 HB2 MET A 84 6.137 -0.685 8.336 1.00 0.00 H new ATOM 0 HB3 MET A 84 5.967 0.945 8.956 1.00 0.00 H new ATOM 0 HG2 MET A 84 3.821 1.215 7.845 1.00 0.00 H new ATOM 0 HG3 MET A 84 4.009 -0.313 7.008 1.00 0.00 H new ATOM 0 HE1 MET A 84 3.613 -2.976 9.701 1.00 0.00 H new ATOM 0 HE2 MET A 84 4.161 -2.536 8.066 1.00 0.00 H new ATOM 0 HE3 MET A 84 5.207 -2.219 9.470 1.00 0.00 H new ATOM 1147 N GLU A 85 8.737 1.436 7.268 1.00 0.00 N ATOM 1148 CA GLU A 85 9.856 2.303 7.593 1.00 0.00 C ATOM 1149 C GLU A 85 10.293 3.069 6.362 1.00 0.00 C ATOM 1150 O GLU A 85 10.517 4.268 6.425 1.00 0.00 O ATOM 1151 CB GLU A 85 11.037 1.484 8.118 1.00 0.00 C ATOM 1152 CG GLU A 85 11.163 1.467 9.626 1.00 0.00 C ATOM 1153 CD GLU A 85 11.078 2.850 10.244 1.00 0.00 C ATOM 1154 OE1 GLU A 85 9.951 3.304 10.532 1.00 0.00 O ATOM 1155 OE2 GLU A 85 12.140 3.479 10.441 1.00 0.00 O ATOM 0 H GLU A 85 9.001 0.472 7.066 1.00 0.00 H new ATOM 0 HA GLU A 85 9.533 3.001 8.366 1.00 0.00 H new ATOM 0 HB2 GLU A 85 10.939 0.458 7.762 1.00 0.00 H new ATOM 0 HB3 GLU A 85 11.958 1.883 7.693 1.00 0.00 H new ATOM 0 HG2 GLU A 85 10.376 0.839 10.044 1.00 0.00 H new ATOM 0 HG3 GLU A 85 12.114 1.010 9.900 1.00 0.00 H new ATOM 1162 N THR A 86 10.406 2.361 5.248 1.00 0.00 N ATOM 1163 CA THR A 86 10.804 2.977 3.992 1.00 0.00 C ATOM 1164 C THR A 86 9.806 4.068 3.627 1.00 0.00 C ATOM 1165 O THR A 86 10.177 5.126 3.117 1.00 0.00 O ATOM 1166 CB THR A 86 10.901 1.914 2.887 1.00 0.00 C ATOM 1167 OG1 THR A 86 12.225 1.423 2.787 1.00 0.00 O ATOM 1168 CG2 THR A 86 10.496 2.405 1.513 1.00 0.00 C ATOM 0 H THR A 86 10.227 1.359 5.189 1.00 0.00 H new ATOM 0 HA THR A 86 11.789 3.431 4.100 1.00 0.00 H new ATOM 0 HB THR A 86 10.199 1.137 3.188 1.00 0.00 H new ATOM 0 HG1 THR A 86 12.458 1.300 1.843 1.00 0.00 H new ATOM 0 HG21 THR A 86 10.594 1.593 0.793 1.00 0.00 H new ATOM 0 HG22 THR A 86 9.461 2.744 1.539 1.00 0.00 H new ATOM 0 HG23 THR A 86 11.142 3.232 1.217 1.00 0.00 H new ATOM 1176 N LEU A 87 8.539 3.812 3.932 1.00 0.00 N ATOM 1177 CA LEU A 87 7.486 4.778 3.678 1.00 0.00 C ATOM 1178 C LEU A 87 7.657 5.948 4.631 1.00 0.00 C ATOM 1179 O LEU A 87 7.779 7.096 4.213 1.00 0.00 O ATOM 1180 CB LEU A 87 6.108 4.137 3.866 1.00 0.00 C ATOM 1181 CG LEU A 87 5.681 3.183 2.751 1.00 0.00 C ATOM 1182 CD1 LEU A 87 4.660 2.181 3.266 1.00 0.00 C ATOM 1183 CD2 LEU A 87 5.117 3.963 1.573 1.00 0.00 C ATOM 0 H LEU A 87 8.219 2.941 4.356 1.00 0.00 H new ATOM 0 HA LEU A 87 7.555 5.127 2.648 1.00 0.00 H new ATOM 0 HB2 LEU A 87 6.103 3.593 4.811 1.00 0.00 H new ATOM 0 HB3 LEU A 87 5.364 4.929 3.950 1.00 0.00 H new ATOM 0 HG LEU A 87 6.559 2.633 2.413 1.00 0.00 H new ATOM 0 HD11 LEU A 87 4.368 1.511 2.458 1.00 0.00 H new ATOM 0 HD12 LEU A 87 5.097 1.601 4.079 1.00 0.00 H new ATOM 0 HD13 LEU A 87 3.781 2.712 3.632 1.00 0.00 H new ATOM 0 HD21 LEU A 87 4.817 3.269 0.787 1.00 0.00 H new ATOM 0 HD22 LEU A 87 4.250 4.538 1.899 1.00 0.00 H new ATOM 0 HD23 LEU A 87 5.878 4.641 1.188 1.00 0.00 H new ATOM 1195 N ARG A 88 7.706 5.632 5.923 1.00 0.00 N ATOM 1196 CA ARG A 88 7.903 6.640 6.950 1.00 0.00 C ATOM 1197 C ARG A 88 9.205 7.390 6.692 1.00 0.00 C ATOM 1198 O ARG A 88 9.337 8.574 7.005 1.00 0.00 O ATOM 1199 CB ARG A 88 7.939 5.991 8.335 1.00 0.00 C ATOM 1200 CG ARG A 88 6.591 5.455 8.789 1.00 0.00 C ATOM 1201 CD ARG A 88 6.733 4.531 9.988 1.00 0.00 C ATOM 1202 NE ARG A 88 5.604 4.648 10.906 1.00 0.00 N ATOM 1203 CZ ARG A 88 5.466 5.633 11.791 1.00 0.00 C ATOM 1204 NH1 ARG A 88 6.382 6.588 11.880 1.00 0.00 N ATOM 1205 NH2 ARG A 88 4.407 5.663 12.590 1.00 0.00 N ATOM 0 H ARG A 88 7.611 4.681 6.280 1.00 0.00 H new ATOM 0 HA ARG A 88 7.070 7.343 6.918 1.00 0.00 H new ATOM 0 HB2 ARG A 88 8.661 5.175 8.326 1.00 0.00 H new ATOM 0 HB3 ARG A 88 8.293 6.723 9.061 1.00 0.00 H new ATOM 0 HG2 ARG A 88 5.935 6.287 9.045 1.00 0.00 H new ATOM 0 HG3 ARG A 88 6.117 4.917 7.968 1.00 0.00 H new ATOM 0 HD2 ARG A 88 6.815 3.500 9.643 1.00 0.00 H new ATOM 0 HD3 ARG A 88 7.657 4.764 10.518 1.00 0.00 H new ATOM 0 HE ARG A 88 4.878 3.933 10.867 1.00 0.00 H new ATOM 0 HH11 ARG A 88 7.198 6.571 11.268 1.00 0.00 H new ATOM 0 HH12 ARG A 88 6.270 7.340 12.560 1.00 0.00 H new ATOM 0 HH21 ARG A 88 3.699 4.932 12.526 1.00 0.00 H new ATOM 0 HH22 ARG A 88 4.301 6.418 13.268 1.00 0.00 H new ATOM 1219 N ARG A 89 10.156 6.679 6.098 1.00 0.00 N ATOM 1220 CA ARG A 89 11.452 7.244 5.768 1.00 0.00 C ATOM 1221 C ARG A 89 11.323 8.194 4.593 1.00 0.00 C ATOM 1222 O ARG A 89 11.952 9.252 4.558 1.00 0.00 O ATOM 1223 CB ARG A 89 12.453 6.133 5.440 1.00 0.00 C ATOM 1224 CG ARG A 89 13.489 5.925 6.523 1.00 0.00 C ATOM 1225 CD ARG A 89 14.636 5.051 6.043 1.00 0.00 C ATOM 1226 NE ARG A 89 15.275 4.329 7.144 1.00 0.00 N ATOM 1227 CZ ARG A 89 14.968 3.081 7.496 1.00 0.00 C ATOM 1228 NH1 ARG A 89 14.024 2.409 6.846 1.00 0.00 N ATOM 1229 NH2 ARG A 89 15.606 2.504 8.504 1.00 0.00 N ATOM 0 H ARG A 89 10.048 5.700 5.834 1.00 0.00 H new ATOM 0 HA ARG A 89 11.819 7.798 6.632 1.00 0.00 H new ATOM 0 HB2 ARG A 89 11.912 5.201 5.280 1.00 0.00 H new ATOM 0 HB3 ARG A 89 12.958 6.373 4.504 1.00 0.00 H new ATOM 0 HG2 ARG A 89 13.878 6.891 6.845 1.00 0.00 H new ATOM 0 HG3 ARG A 89 13.019 5.464 7.392 1.00 0.00 H new ATOM 0 HD2 ARG A 89 14.264 4.336 5.309 1.00 0.00 H new ATOM 0 HD3 ARG A 89 15.377 5.671 5.538 1.00 0.00 H new ATOM 0 HE ARG A 89 16.000 4.811 7.675 1.00 0.00 H new ATOM 0 HH11 ARG A 89 13.528 2.848 6.071 1.00 0.00 H new ATOM 0 HH12 ARG A 89 13.796 1.454 7.122 1.00 0.00 H new ATOM 0 HH21 ARG A 89 16.330 3.015 9.009 1.00 0.00 H new ATOM 0 HH22 ARG A 89 15.373 1.549 8.775 1.00 0.00 H new ATOM 1243 N SER A 90 10.499 7.805 3.630 1.00 0.00 N ATOM 1244 CA SER A 90 10.283 8.622 2.453 1.00 0.00 C ATOM 1245 C SER A 90 9.507 9.876 2.817 1.00 0.00 C ATOM 1246 O SER A 90 9.853 10.981 2.396 1.00 0.00 O ATOM 1247 CB SER A 90 9.539 7.828 1.378 1.00 0.00 C ATOM 1248 OG SER A 90 10.180 6.589 1.121 1.00 0.00 O ATOM 0 H SER A 90 9.973 6.931 3.644 1.00 0.00 H new ATOM 0 HA SER A 90 11.253 8.916 2.054 1.00 0.00 H new ATOM 0 HB2 SER A 90 8.512 7.650 1.698 1.00 0.00 H new ATOM 0 HB3 SER A 90 9.489 8.412 0.459 1.00 0.00 H new ATOM 0 HG SER A 90 9.848 5.913 1.748 1.00 0.00 H new ATOM 1254 N MET A 91 8.466 9.703 3.622 1.00 0.00 N ATOM 1255 CA MET A 91 7.653 10.825 4.068 1.00 0.00 C ATOM 1256 C MET A 91 8.470 11.732 4.981 1.00 0.00 C ATOM 1257 O MET A 91 8.183 12.921 5.117 1.00 0.00 O ATOM 1258 CB MET A 91 6.413 10.328 4.815 1.00 0.00 C ATOM 1259 CG MET A 91 5.565 9.343 4.025 1.00 0.00 C ATOM 1260 SD MET A 91 5.157 9.932 2.373 1.00 0.00 S ATOM 1261 CE MET A 91 4.789 8.383 1.552 1.00 0.00 C ATOM 0 H MET A 91 8.166 8.796 3.979 1.00 0.00 H new ATOM 0 HA MET A 91 7.333 11.388 3.191 1.00 0.00 H new ATOM 0 HB2 MET A 91 6.728 9.855 5.745 1.00 0.00 H new ATOM 0 HB3 MET A 91 5.797 11.186 5.086 1.00 0.00 H new ATOM 0 HG2 MET A 91 6.098 8.396 3.945 1.00 0.00 H new ATOM 0 HG3 MET A 91 4.643 9.145 4.572 1.00 0.00 H new ATOM 0 HE1 MET A 91 4.483 8.580 0.525 1.00 0.00 H new ATOM 0 HE2 MET A 91 5.677 7.752 1.551 1.00 0.00 H new ATOM 0 HE3 MET A 91 3.983 7.874 2.080 1.00 0.00 H new ATOM 1271 N SER A 92 9.485 11.152 5.616 1.00 0.00 N ATOM 1272 CA SER A 92 10.344 11.889 6.532 1.00 0.00 C ATOM 1273 C SER A 92 11.293 12.832 5.797 1.00 0.00 C ATOM 1274 O SER A 92 11.296 14.037 6.052 1.00 0.00 O ATOM 1275 CB SER A 92 11.148 10.917 7.396 1.00 0.00 C ATOM 1276 OG SER A 92 10.470 10.630 8.607 1.00 0.00 O ATOM 0 H SER A 92 9.732 10.168 5.510 1.00 0.00 H new ATOM 0 HA SER A 92 9.697 12.497 7.165 1.00 0.00 H new ATOM 0 HB2 SER A 92 11.321 9.993 6.845 1.00 0.00 H new ATOM 0 HB3 SER A 92 12.126 11.345 7.616 1.00 0.00 H new ATOM 0 HG SER A 92 9.864 9.872 8.471 1.00 0.00 H new ATOM 1282 N THR A 93 12.114 12.283 4.906 1.00 0.00 N ATOM 1283 CA THR A 93 13.082 13.099 4.171 1.00 0.00 C ATOM 1284 C THR A 93 13.910 12.266 3.186 1.00 0.00 C ATOM 1285 O THR A 93 15.126 12.149 3.336 1.00 0.00 O ATOM 1286 CB THR A 93 14.030 13.759 5.164 1.00 0.00 C ATOM 1287 OG1 THR A 93 14.966 14.589 4.498 1.00 0.00 O ATOM 1288 CG2 THR A 93 14.802 12.740 5.973 1.00 0.00 C ATOM 0 H THR A 93 12.131 11.289 4.676 1.00 0.00 H new ATOM 0 HA THR A 93 12.524 13.842 3.602 1.00 0.00 H new ATOM 0 HB THR A 93 13.406 14.352 5.832 1.00 0.00 H new ATOM 0 HG1 THR A 93 15.490 14.051 3.868 1.00 0.00 H new ATOM 0 HG21 THR A 93 15.466 13.254 6.668 1.00 0.00 H new ATOM 0 HG22 THR A 93 14.105 12.115 6.532 1.00 0.00 H new ATOM 0 HG23 THR A 93 15.392 12.115 5.303 1.00 0.00 H new ATOM 1296 N GLU A 94 13.259 11.707 2.180 1.00 0.00 N ATOM 1297 CA GLU A 94 13.953 10.905 1.178 1.00 0.00 C ATOM 1298 C GLU A 94 13.120 10.846 -0.085 1.00 0.00 C ATOM 1299 O GLU A 94 13.592 11.146 -1.181 1.00 0.00 O ATOM 1300 CB GLU A 94 14.207 9.486 1.693 1.00 0.00 C ATOM 1301 CG GLU A 94 15.072 9.422 2.941 1.00 0.00 C ATOM 1302 CD GLU A 94 16.488 9.904 2.696 1.00 0.00 C ATOM 1303 OE1 GLU A 94 16.994 9.711 1.569 1.00 0.00 O ATOM 1304 OE2 GLU A 94 17.093 10.473 3.628 1.00 0.00 O ATOM 0 H GLU A 94 12.253 11.791 2.033 1.00 0.00 H new ATOM 0 HA GLU A 94 14.915 11.371 0.966 1.00 0.00 H new ATOM 0 HB2 GLU A 94 13.249 9.011 1.904 1.00 0.00 H new ATOM 0 HB3 GLU A 94 14.684 8.905 0.904 1.00 0.00 H new ATOM 0 HG2 GLU A 94 14.617 10.027 3.725 1.00 0.00 H new ATOM 0 HG3 GLU A 94 15.100 8.396 3.307 1.00 0.00 H new ATOM 1311 N GLY A 95 11.861 10.483 0.093 1.00 0.00 N ATOM 1312 CA GLY A 95 10.944 10.415 -1.022 1.00 0.00 C ATOM 1313 C GLY A 95 10.376 11.780 -1.320 1.00 0.00 C ATOM 1314 O GLY A 95 10.035 12.089 -2.462 1.00 0.00 O ATOM 0 H GLY A 95 11.456 10.233 0.995 1.00 0.00 H new ATOM 0 HA2 GLY A 95 11.459 10.029 -1.901 1.00 0.00 H new ATOM 0 HA3 GLY A 95 10.136 9.720 -0.795 1.00 0.00 H new ATOM 1318 N ASN A 96 10.289 12.606 -0.282 1.00 0.00 N ATOM 1319 CA ASN A 96 9.780 13.955 -0.422 1.00 0.00 C ATOM 1320 C ASN A 96 10.922 14.927 -0.683 1.00 0.00 C ATOM 1321 O ASN A 96 11.209 15.251 -1.831 1.00 0.00 O ATOM 1322 CB ASN A 96 9.003 14.380 0.824 1.00 0.00 C ATOM 1323 CG ASN A 96 8.483 15.798 0.704 1.00 0.00 C ATOM 1324 OD1 ASN A 96 7.455 16.041 0.080 1.00 0.00 O ATOM 1325 ND2 ASN A 96 9.205 16.749 1.285 1.00 0.00 N ATOM 0 H ASN A 96 10.567 12.358 0.667 1.00 0.00 H new ATOM 0 HA ASN A 96 9.098 13.972 -1.272 1.00 0.00 H new ATOM 0 HB2 ASN A 96 8.167 13.698 0.982 1.00 0.00 H new ATOM 0 HB3 ASN A 96 9.648 14.302 1.699 1.00 0.00 H new ATOM 0 HD21 ASN A 96 8.911 17.723 1.221 1.00 0.00 H new ATOM 0 HD22 ASN A 96 10.054 16.505 1.795 1.00 0.00 H new ATOM 1332 N LYS A 97 11.569 15.390 0.391 1.00 0.00 N ATOM 1333 CA LYS A 97 12.685 16.334 0.285 1.00 0.00 C ATOM 1334 C LYS A 97 12.440 17.378 -0.808 1.00 0.00 C ATOM 1335 O LYS A 97 13.383 17.914 -1.390 1.00 0.00 O ATOM 1336 CB LYS A 97 13.987 15.573 0.016 1.00 0.00 C ATOM 1337 CG LYS A 97 13.845 14.480 -1.027 1.00 0.00 C ATOM 1338 CD LYS A 97 15.167 14.174 -1.698 1.00 0.00 C ATOM 1339 CE LYS A 97 14.950 13.478 -3.028 1.00 0.00 C ATOM 1340 NZ LYS A 97 16.202 12.862 -3.548 1.00 0.00 N ATOM 0 H LYS A 97 11.337 15.124 1.348 1.00 0.00 H new ATOM 0 HA LYS A 97 12.768 16.866 1.233 1.00 0.00 H new ATOM 0 HB2 LYS A 97 14.750 16.279 -0.311 1.00 0.00 H new ATOM 0 HB3 LYS A 97 14.340 15.131 0.948 1.00 0.00 H new ATOM 0 HG2 LYS A 97 13.457 13.576 -0.557 1.00 0.00 H new ATOM 0 HG3 LYS A 97 13.117 14.786 -1.779 1.00 0.00 H new ATOM 0 HD2 LYS A 97 15.723 15.098 -1.853 1.00 0.00 H new ATOM 0 HD3 LYS A 97 15.772 13.543 -1.047 1.00 0.00 H new ATOM 0 HE2 LYS A 97 14.188 12.707 -2.913 1.00 0.00 H new ATOM 0 HE3 LYS A 97 14.571 14.196 -3.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 16.008 12.397 -4.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 16.922 13.600 -3.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 16.551 12.158 -2.867 1.00 0.00 H new ATOM 1354 N ARG A 98 11.166 17.653 -1.084 1.00 0.00 N ATOM 1355 CA ARG A 98 10.792 18.619 -2.109 1.00 0.00 C ATOM 1356 C ARG A 98 9.324 19.043 -1.986 1.00 0.00 C ATOM 1357 O ARG A 98 8.971 20.175 -2.318 1.00 0.00 O ATOM 1358 CB ARG A 98 11.059 18.030 -3.494 1.00 0.00 C ATOM 1359 CG ARG A 98 10.034 16.994 -3.941 1.00 0.00 C ATOM 1360 CD ARG A 98 10.695 15.681 -4.337 1.00 0.00 C ATOM 1361 NE ARG A 98 10.726 15.497 -5.787 1.00 0.00 N ATOM 1362 CZ ARG A 98 11.526 14.634 -6.406 1.00 0.00 C ATOM 1363 NH1 ARG A 98 12.364 13.875 -5.709 1.00 0.00 N ATOM 1364 NH2 ARG A 98 11.491 14.529 -7.728 1.00 0.00 N ATOM 0 H ARG A 98 10.375 17.218 -0.609 1.00 0.00 H new ATOM 0 HA ARG A 98 11.401 19.512 -1.967 1.00 0.00 H new ATOM 0 HB2 ARG A 98 11.082 18.840 -4.223 1.00 0.00 H new ATOM 0 HB3 ARG A 98 12.048 17.571 -3.497 1.00 0.00 H new ATOM 0 HG2 ARG A 98 9.323 16.815 -3.135 1.00 0.00 H new ATOM 0 HG3 ARG A 98 9.466 17.385 -4.786 1.00 0.00 H new ATOM 0 HD2 ARG A 98 11.712 15.656 -3.947 1.00 0.00 H new ATOM 0 HD3 ARG A 98 10.157 14.852 -3.878 1.00 0.00 H new ATOM 0 HE ARG A 98 10.098 16.063 -6.357 1.00 0.00 H new ATOM 0 HH11 ARG A 98 12.397 13.952 -4.692 1.00 0.00 H new ATOM 0 HH12 ARG A 98 12.975 13.215 -6.190 1.00 0.00 H new ATOM 0 HH21 ARG A 98 10.851 15.110 -8.269 1.00 0.00 H new ATOM 0 HH22 ARG A 98 12.104 13.867 -8.203 1.00 0.00 H new ATOM 1378 N GLY A 99 8.474 18.133 -1.517 1.00 0.00 N ATOM 1379 CA GLY A 99 7.062 18.434 -1.374 1.00 0.00 C ATOM 1380 C GLY A 99 6.181 17.420 -2.082 1.00 0.00 C ATOM 1381 O GLY A 99 5.016 17.691 -2.370 1.00 0.00 O ATOM 0 H GLY A 99 8.740 17.190 -1.233 1.00 0.00 H new ATOM 0 HA2 GLY A 99 6.804 18.460 -0.315 1.00 0.00 H new ATOM 0 HA3 GLY A 99 6.862 19.428 -1.775 1.00 0.00 H new ATOM 1385 N MET A 100 6.746 16.248 -2.366 1.00 0.00 N ATOM 1386 CA MET A 100 6.019 15.187 -3.045 1.00 0.00 C ATOM 1387 C MET A 100 6.863 13.916 -3.154 1.00 0.00 C ATOM 1388 O MET A 100 8.092 13.974 -3.146 1.00 0.00 O ATOM 1389 CB MET A 100 5.593 15.659 -4.435 1.00 0.00 C ATOM 1390 CG MET A 100 6.689 15.564 -5.488 1.00 0.00 C ATOM 1391 SD MET A 100 6.133 16.093 -7.119 1.00 0.00 S ATOM 1392 CE MET A 100 4.514 15.329 -7.187 1.00 0.00 C ATOM 0 H MET A 100 7.711 16.012 -2.133 1.00 0.00 H new ATOM 0 HA MET A 100 5.133 14.949 -2.456 1.00 0.00 H new ATOM 0 HB2 MET A 100 4.738 15.067 -4.762 1.00 0.00 H new ATOM 0 HB3 MET A 100 5.257 16.694 -4.368 1.00 0.00 H new ATOM 0 HG2 MET A 100 7.536 16.177 -5.181 1.00 0.00 H new ATOM 0 HG3 MET A 100 7.044 14.535 -5.546 1.00 0.00 H new ATOM 0 HE1 MET A 100 4.222 15.188 -8.228 1.00 0.00 H new ATOM 0 HE2 MET A 100 4.547 14.362 -6.685 1.00 0.00 H new ATOM 0 HE3 MET A 100 3.787 15.972 -6.690 1.00 0.00 H new ATOM 1402 N ILE A 101 6.194 12.770 -3.255 1.00 0.00 N ATOM 1403 CA ILE A 101 6.885 11.486 -3.362 1.00 0.00 C ATOM 1404 C ILE A 101 6.104 10.513 -4.247 1.00 0.00 C ATOM 1405 O ILE A 101 4.878 10.563 -4.308 1.00 0.00 O ATOM 1406 CB ILE A 101 7.135 10.853 -1.964 1.00 0.00 C ATOM 1407 CG1 ILE A 101 6.563 9.435 -1.868 1.00 0.00 C ATOM 1408 CG2 ILE A 101 6.553 11.723 -0.862 1.00 0.00 C ATOM 1409 CD1 ILE A 101 6.865 8.758 -0.550 1.00 0.00 C ATOM 0 H ILE A 101 5.176 12.703 -3.265 1.00 0.00 H new ATOM 0 HA ILE A 101 7.852 11.680 -3.825 1.00 0.00 H new ATOM 0 HB ILE A 101 8.215 10.789 -1.833 1.00 0.00 H new ATOM 0 HG12 ILE A 101 5.483 9.476 -2.009 1.00 0.00 H new ATOM 0 HG13 ILE A 101 6.968 8.831 -2.680 1.00 0.00 H new ATOM 0 HG21 ILE A 101 6.741 11.258 0.106 1.00 0.00 H new ATOM 0 HG22 ILE A 101 7.021 12.707 -0.889 1.00 0.00 H new ATOM 0 HG23 ILE A 101 5.478 11.829 -1.011 1.00 0.00 H new ATOM 0 HD11 ILE A 101 6.432 7.758 -0.547 1.00 0.00 H new ATOM 0 HD12 ILE A 101 7.944 8.687 -0.417 1.00 0.00 H new ATOM 0 HD13 ILE A 101 6.436 9.341 0.265 1.00 0.00 H new ATOM 1421 N GLN A 102 6.827 9.628 -4.926 1.00 0.00 N ATOM 1422 CA GLN A 102 6.205 8.641 -5.800 1.00 0.00 C ATOM 1423 C GLN A 102 6.021 7.317 -5.067 1.00 0.00 C ATOM 1424 O GLN A 102 6.908 6.873 -4.339 1.00 0.00 O ATOM 1425 CB GLN A 102 7.053 8.431 -7.056 1.00 0.00 C ATOM 1426 CG GLN A 102 6.464 7.421 -8.027 1.00 0.00 C ATOM 1427 CD GLN A 102 7.459 6.351 -8.434 1.00 0.00 C ATOM 1428 OE1 GLN A 102 8.006 5.643 -7.588 1.00 0.00 O ATOM 1429 NE2 GLN A 102 7.698 6.229 -9.734 1.00 0.00 N ATOM 0 H GLN A 102 7.845 9.575 -4.887 1.00 0.00 H new ATOM 0 HA GLN A 102 5.225 9.015 -6.096 1.00 0.00 H new ATOM 0 HB2 GLN A 102 7.173 9.386 -7.567 1.00 0.00 H new ATOM 0 HB3 GLN A 102 8.049 8.100 -6.761 1.00 0.00 H new ATOM 0 HG2 GLN A 102 5.595 6.948 -7.570 1.00 0.00 H new ATOM 0 HG3 GLN A 102 6.112 7.942 -8.918 1.00 0.00 H new ATOM 0 HE21 GLN A 102 7.222 6.838 -10.399 1.00 0.00 H new ATOM 0 HE22 GLN A 102 8.358 5.527 -10.067 1.00 0.00 H new ATOM 1438 N LEU A 103 4.865 6.691 -5.259 1.00 0.00 N ATOM 1439 CA LEU A 103 4.573 5.421 -4.607 1.00 0.00 C ATOM 1440 C LEU A 103 3.934 4.433 -5.579 1.00 0.00 C ATOM 1441 O LEU A 103 2.958 4.754 -6.257 1.00 0.00 O ATOM 1442 CB LEU A 103 3.646 5.643 -3.410 1.00 0.00 C ATOM 1443 CG LEU A 103 4.340 6.134 -2.137 1.00 0.00 C ATOM 1444 CD1 LEU A 103 3.486 7.178 -1.432 1.00 0.00 C ATOM 1445 CD2 LEU A 103 4.634 4.965 -1.208 1.00 0.00 C ATOM 0 H LEU A 103 4.118 7.041 -5.859 1.00 0.00 H new ATOM 0 HA LEU A 103 5.516 4.998 -4.261 1.00 0.00 H new ATOM 0 HB2 LEU A 103 2.881 6.367 -3.691 1.00 0.00 H new ATOM 0 HB3 LEU A 103 3.133 4.707 -3.188 1.00 0.00 H new ATOM 0 HG LEU A 103 5.286 6.598 -2.416 1.00 0.00 H new ATOM 0 HD11 LEU A 103 3.995 7.515 -0.529 1.00 0.00 H new ATOM 0 HD12 LEU A 103 3.326 8.027 -2.097 1.00 0.00 H new ATOM 0 HD13 LEU A 103 2.524 6.741 -1.164 1.00 0.00 H new ATOM 0 HD21 LEU A 103 5.127 5.331 -0.308 1.00 0.00 H new ATOM 0 HD22 LEU A 103 3.700 4.473 -0.936 1.00 0.00 H new ATOM 0 HD23 LEU A 103 5.285 4.253 -1.715 1.00 0.00 H new ATOM 1457 N ILE A 104 4.489 3.226 -5.633 1.00 0.00 N ATOM 1458 CA ILE A 104 3.972 2.185 -6.510 1.00 0.00 C ATOM 1459 C ILE A 104 3.107 1.203 -5.732 1.00 0.00 C ATOM 1460 O ILE A 104 3.400 0.876 -4.581 1.00 0.00 O ATOM 1461 CB ILE A 104 5.108 1.413 -7.211 1.00 0.00 C ATOM 1462 CG1 ILE A 104 5.974 2.373 -8.025 1.00 0.00 C ATOM 1463 CG2 ILE A 104 4.542 0.321 -8.108 1.00 0.00 C ATOM 1464 CD1 ILE A 104 5.188 3.223 -9.000 1.00 0.00 C ATOM 0 H ILE A 104 5.298 2.946 -5.078 1.00 0.00 H new ATOM 0 HA ILE A 104 3.368 2.682 -7.270 1.00 0.00 H new ATOM 0 HB ILE A 104 5.727 0.942 -6.448 1.00 0.00 H new ATOM 0 HG12 ILE A 104 6.517 3.027 -7.342 1.00 0.00 H new ATOM 0 HG13 ILE A 104 6.719 1.798 -8.576 1.00 0.00 H new ATOM 0 HG21 ILE A 104 5.360 -0.212 -8.593 1.00 0.00 H new ATOM 0 HG22 ILE A 104 3.960 -0.378 -7.507 1.00 0.00 H new ATOM 0 HG23 ILE A 104 3.901 0.769 -8.867 1.00 0.00 H new ATOM 0 HD11 ILE A 104 5.869 3.879 -9.542 1.00 0.00 H new ATOM 0 HD12 ILE A 104 4.667 2.578 -9.707 1.00 0.00 H new ATOM 0 HD13 ILE A 104 4.461 3.825 -8.454 1.00 0.00 H new ATOM 1476 N VAL A 105 2.040 0.742 -6.369 1.00 0.00 N ATOM 1477 CA VAL A 105 1.122 -0.200 -5.738 1.00 0.00 C ATOM 1478 C VAL A 105 0.649 -1.263 -6.723 1.00 0.00 C ATOM 1479 O VAL A 105 1.026 -1.254 -7.894 1.00 0.00 O ATOM 1480 CB VAL A 105 -0.108 0.522 -5.158 1.00 0.00 C ATOM 1481 CG1 VAL A 105 0.285 1.369 -3.957 1.00 0.00 C ATOM 1482 CG2 VAL A 105 -0.778 1.374 -6.225 1.00 0.00 C ATOM 0 H VAL A 105 1.787 1.004 -7.322 1.00 0.00 H new ATOM 0 HA VAL A 105 1.674 -0.680 -4.930 1.00 0.00 H new ATOM 0 HB VAL A 105 -0.823 -0.229 -4.823 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -0.598 1.871 -3.561 1.00 0.00 H new ATOM 0 HG12 VAL A 105 0.715 0.730 -3.186 1.00 0.00 H new ATOM 0 HG13 VAL A 105 1.020 2.114 -4.262 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -1.645 1.877 -5.797 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -0.072 2.118 -6.593 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -1.098 0.738 -7.051 1.00 0.00 H new ATOM 1492 N ALA A 106 -0.184 -2.177 -6.234 1.00 0.00 N ATOM 1493 CA ALA A 106 -0.719 -3.248 -7.064 1.00 0.00 C ATOM 1494 C ALA A 106 -2.215 -3.424 -6.829 1.00 0.00 C ATOM 1495 O ALA A 106 -2.695 -3.303 -5.700 1.00 0.00 O ATOM 1496 CB ALA A 106 0.018 -4.550 -6.785 1.00 0.00 C ATOM 0 H ALA A 106 -0.503 -2.196 -5.265 1.00 0.00 H new ATOM 0 HA ALA A 106 -0.570 -2.976 -8.109 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -0.392 -5.342 -7.412 1.00 0.00 H new ATOM 0 HB2 ALA A 106 1.078 -4.423 -7.007 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -0.103 -4.819 -5.736 1.00 0.00 H new ATOM 1502 N ARG A 107 -2.949 -3.704 -7.903 1.00 0.00 N ATOM 1503 CA ARG A 107 -4.392 -3.892 -7.815 1.00 0.00 C ATOM 1504 C ARG A 107 -4.803 -5.240 -8.394 1.00 0.00 C ATOM 1505 O ARG A 107 -4.330 -5.641 -9.459 1.00 0.00 O ATOM 1506 CB ARG A 107 -5.119 -2.766 -8.553 1.00 0.00 C ATOM 1507 CG ARG A 107 -5.444 -1.571 -7.673 1.00 0.00 C ATOM 1508 CD ARG A 107 -5.787 -0.347 -8.506 1.00 0.00 C ATOM 1509 NE ARG A 107 -5.865 0.864 -7.692 1.00 0.00 N ATOM 1510 CZ ARG A 107 -6.449 1.990 -8.094 1.00 0.00 C ATOM 1511 NH1 ARG A 107 -7.008 2.065 -9.295 1.00 0.00 N ATOM 1512 NH2 ARG A 107 -6.476 3.045 -7.291 1.00 0.00 N ATOM 0 H ARG A 107 -2.567 -3.805 -8.843 1.00 0.00 H new ATOM 0 HA ARG A 107 -4.672 -3.869 -6.762 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -4.503 -2.434 -9.389 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -6.044 -3.158 -8.975 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -6.282 -1.815 -7.020 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -4.593 -1.348 -7.030 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -5.034 -0.214 -9.283 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -6.740 -0.507 -9.010 1.00 0.00 H new ATOM 0 HE ARG A 107 -5.448 0.845 -6.762 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -6.992 1.256 -9.916 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -7.454 2.931 -9.597 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -6.049 2.993 -6.366 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -6.923 3.909 -7.598 1.00 0.00 H new ATOM 1526 N ARG A 108 -5.688 -5.938 -7.688 1.00 0.00 N ATOM 1527 CA ARG A 108 -6.165 -7.242 -8.134 1.00 0.00 C ATOM 1528 C ARG A 108 -7.404 -7.097 -9.012 1.00 0.00 C ATOM 1529 O ARG A 108 -8.371 -6.436 -8.631 1.00 0.00 O ATOM 1530 CB ARG A 108 -6.480 -8.128 -6.927 1.00 0.00 C ATOM 1531 CG ARG A 108 -6.709 -9.587 -7.285 1.00 0.00 C ATOM 1532 CD ARG A 108 -5.426 -10.399 -7.170 1.00 0.00 C ATOM 1533 NE ARG A 108 -5.553 -11.487 -6.203 1.00 0.00 N ATOM 1534 CZ ARG A 108 -4.685 -12.491 -6.097 1.00 0.00 C ATOM 1535 NH1 ARG A 108 -3.627 -12.548 -6.896 1.00 0.00 N ATOM 1536 NH2 ARG A 108 -4.875 -13.439 -5.192 1.00 0.00 N ATOM 0 H ARG A 108 -6.089 -5.622 -6.805 1.00 0.00 H new ATOM 0 HA ARG A 108 -5.378 -7.709 -8.725 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -5.658 -8.062 -6.215 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -7.368 -7.742 -6.426 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -7.468 -10.009 -6.626 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -7.095 -9.657 -8.302 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -5.168 -10.810 -8.146 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -4.607 -9.744 -6.873 1.00 0.00 H new ATOM 0 HE ARG A 108 -6.354 -11.477 -5.572 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -3.476 -11.821 -7.595 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -2.965 -13.319 -6.811 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -5.687 -13.400 -4.576 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -4.210 -14.208 -5.111 1.00 0.00 H new ATOM 1550 N ILE A 109 -7.369 -7.715 -10.187 1.00 0.00 N ATOM 1551 CA ILE A 109 -8.493 -7.651 -11.117 1.00 0.00 C ATOM 1552 C ILE A 109 -9.450 -8.817 -10.899 1.00 0.00 C ATOM 1553 O ILE A 109 -9.100 -9.811 -10.264 1.00 0.00 O ATOM 1554 CB ILE A 109 -8.020 -7.661 -12.587 1.00 0.00 C ATOM 1555 CG1 ILE A 109 -6.726 -6.861 -12.744 1.00 0.00 C ATOM 1556 CG2 ILE A 109 -9.105 -7.103 -13.494 1.00 0.00 C ATOM 1557 CD1 ILE A 109 -6.885 -5.389 -12.425 1.00 0.00 C ATOM 0 H ILE A 109 -6.577 -8.265 -10.519 1.00 0.00 H new ATOM 0 HA ILE A 109 -9.009 -6.712 -10.919 1.00 0.00 H new ATOM 0 HB ILE A 109 -7.820 -8.692 -12.878 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -5.964 -7.286 -12.091 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -6.365 -6.966 -13.767 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -8.758 -7.116 -14.527 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -10.003 -7.714 -13.405 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -9.333 -6.078 -13.201 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -5.929 -4.883 -12.557 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -7.624 -4.949 -13.095 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -7.217 -5.274 -11.393 1.00 0.00 H new ATOM 1569 N SER A 110 -10.661 -8.690 -11.434 1.00 0.00 N ATOM 1570 CA SER A 110 -11.669 -9.734 -11.299 1.00 0.00 C ATOM 1571 C SER A 110 -12.599 -9.749 -12.508 1.00 0.00 C ATOM 1572 O SER A 110 -13.575 -9.000 -12.563 1.00 0.00 O ATOM 1573 CB SER A 110 -12.480 -9.529 -10.019 1.00 0.00 C ATOM 1574 OG SER A 110 -11.655 -9.631 -8.871 1.00 0.00 O ATOM 0 H SER A 110 -10.967 -7.874 -11.965 1.00 0.00 H new ATOM 0 HA SER A 110 -11.157 -10.694 -11.244 1.00 0.00 H new ATOM 0 HB2 SER A 110 -12.959 -8.550 -10.041 1.00 0.00 H new ATOM 0 HB3 SER A 110 -13.276 -10.272 -9.966 1.00 0.00 H new ATOM 0 HG SER A 110 -12.197 -9.495 -8.066 1.00 0.00 H new TER 1580 SER A 110