USER MOD reduce.3.24.130724 H: found=0, std=0, add=743, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 744 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 29 GLN :FLIP amide:sc= -1.72 F(o=-2.3,f=-1.3) USER MOD Set 1.2: A 101 SER OG : rot 37:sc= 0.376 USER MOD Single : A 8 ASN : amide:sc= -0.0993 X(o=-0.099,f=0) USER MOD Single : A 14 GLN :FLIP amide:sc= -0.266 F(o=-0.95,f=-0.27) USER MOD Single : A 15 GLN : amide:sc= -0.0795 X(o=-0.079,f=-0.3) USER MOD Single : A 21 GLN : amide:sc= -0.191 X(o=-0.19,f=-0.035) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 CYS SG : rot 150:sc= -2.39 USER MOD Single : A 46 HIS : no HD1:sc= -0.0471 X(o=-0.047,f=-0.18) USER MOD Single : A 47 SER OG : rot -37:sc= 0.512 USER MOD Single : A 52 THR OG1 : rot 180:sc= -0.0225 USER MOD Single : A 54 MET CE :methyl -177:sc= -5.17! (180deg=-5.19!) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot -123:sc= 1.22 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 ASN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 83 ASN :FLIP amide:sc= 0 F(o=-0.54,f=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 TYR OH : rot 30:sc= -0.417 USER MOD Single : A 90 CYS SG : rot 33:sc= -0.208 USER MOD Single : A 91 GLN : amide:sc= 0 X(o=0,f=-0.025) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 TYR OH : rot 180:sc= -0.0614 USER MOD Single : A 99 LYS NZ :NH3+ -125:sc= 0.745 (180deg=-0.495) USER MOD Single : A 104 THR OG1 : rot 180:sc= -0.0308 USER MOD ----------------------------------------------------------------- ATOM 68 N ASN A 8 -3.901 -22.452 -3.050 1.00 0.00 N ATOM 69 CA ASN A 8 -3.803 -22.405 -4.504 1.00 0.00 C ATOM 70 C ASN A 8 -3.482 -23.784 -5.072 1.00 0.00 C ATOM 71 O ASN A 8 -2.544 -24.446 -4.628 1.00 0.00 O ATOM 72 CB ASN A 8 -2.731 -21.401 -4.932 1.00 0.00 C ATOM 73 CG ASN A 8 -2.870 -20.069 -4.220 1.00 0.00 C ATOM 74 OD1 ASN A 8 -3.501 -19.143 -4.731 1.00 0.00 O ATOM 75 ND2 ASN A 8 -2.277 -19.965 -3.037 1.00 0.00 N ATOM 0 HA ASN A 8 -4.767 -22.085 -4.898 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -1.745 -21.818 -4.728 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -2.794 -21.243 -6.009 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -2.334 -19.092 -2.513 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -1.765 -20.758 -2.652 1.00 0.00 H new ATOM 82 N GLU A 9 -4.266 -24.209 -6.056 1.00 0.00 N ATOM 83 CA GLU A 9 -4.066 -25.509 -6.685 1.00 0.00 C ATOM 84 C GLU A 9 -3.327 -25.366 -8.012 1.00 0.00 C ATOM 85 O GLU A 9 -2.565 -26.247 -8.408 1.00 0.00 O ATOM 86 CB GLU A 9 -5.411 -26.202 -6.909 1.00 0.00 C ATOM 87 CG GLU A 9 -5.315 -27.719 -6.947 1.00 0.00 C ATOM 88 CD GLU A 9 -5.695 -28.359 -5.626 1.00 0.00 C ATOM 89 OE1 GLU A 9 -6.751 -27.992 -5.071 1.00 0.00 O ATOM 90 OE2 GLU A 9 -4.936 -29.229 -5.149 1.00 0.00 O ATOM 0 H GLU A 9 -5.046 -23.672 -6.435 1.00 0.00 H new ATOM 0 HA GLU A 9 -3.457 -26.118 -6.016 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -6.098 -25.909 -6.115 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -5.840 -25.850 -7.847 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -5.967 -28.101 -7.733 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -4.297 -28.009 -7.208 1.00 0.00 H new ATOM 97 N GLU A 10 -3.559 -24.249 -8.695 1.00 0.00 N ATOM 98 CA GLU A 10 -2.915 -23.991 -9.979 1.00 0.00 C ATOM 99 C GLU A 10 -2.052 -22.734 -9.911 1.00 0.00 C ATOM 100 O GLU A 10 -0.943 -22.701 -10.442 1.00 0.00 O ATOM 101 CB GLU A 10 -3.968 -23.848 -11.081 1.00 0.00 C ATOM 102 CG GLU A 10 -3.868 -24.917 -12.157 1.00 0.00 C ATOM 103 CD GLU A 10 -2.708 -24.683 -13.105 1.00 0.00 C ATOM 104 OE1 GLU A 10 -1.572 -24.499 -12.620 1.00 0.00 O ATOM 105 OE2 GLU A 10 -2.935 -24.686 -14.333 1.00 0.00 O ATOM 0 H GLU A 10 -4.187 -23.509 -8.382 1.00 0.00 H new ATOM 0 HA GLU A 10 -2.270 -24.838 -10.213 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -4.960 -23.888 -10.632 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -3.867 -22.867 -11.544 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -3.756 -25.893 -11.685 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -4.798 -24.943 -12.726 1.00 0.00 H new ATOM 112 N LEU A 11 -2.568 -21.702 -9.252 1.00 0.00 N ATOM 113 CA LEU A 11 -1.844 -20.444 -9.114 1.00 0.00 C ATOM 114 C LEU A 11 -0.542 -20.649 -8.344 1.00 0.00 C ATOM 115 O LEU A 11 0.438 -19.938 -8.562 1.00 0.00 O ATOM 116 CB LEU A 11 -2.715 -19.402 -8.408 1.00 0.00 C ATOM 117 CG LEU A 11 -3.381 -18.382 -9.332 1.00 0.00 C ATOM 118 CD1 LEU A 11 -4.538 -19.020 -10.084 1.00 0.00 C ATOM 119 CD2 LEU A 11 -3.859 -17.176 -8.537 1.00 0.00 C ATOM 0 H LEU A 11 -3.485 -21.712 -8.805 1.00 0.00 H new ATOM 0 HA LEU A 11 -1.600 -20.081 -10.113 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -3.491 -19.921 -7.845 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -2.100 -18.867 -7.684 1.00 0.00 H new ATOM 0 HG LEU A 11 -2.644 -18.043 -10.060 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -5.000 -18.279 -10.737 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -4.168 -19.852 -10.684 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -5.277 -19.387 -9.372 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -4.330 -16.460 -9.210 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -4.581 -17.498 -7.786 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -3.009 -16.705 -8.044 1.00 0.00 H new ATOM 131 N ARG A 12 -0.541 -21.626 -7.443 1.00 0.00 N ATOM 132 CA ARG A 12 0.639 -21.926 -6.640 1.00 0.00 C ATOM 133 C ARG A 12 1.843 -22.233 -7.528 1.00 0.00 C ATOM 134 O ARG A 12 2.988 -22.019 -7.130 1.00 0.00 O ATOM 135 CB ARG A 12 0.360 -23.109 -5.708 1.00 0.00 C ATOM 136 CG ARG A 12 0.752 -22.850 -4.263 1.00 0.00 C ATOM 137 CD ARG A 12 1.136 -24.137 -3.547 1.00 0.00 C ATOM 138 NE ARG A 12 2.463 -24.051 -2.943 1.00 0.00 N ATOM 139 CZ ARG A 12 3.090 -25.083 -2.382 1.00 0.00 C ATOM 140 NH1 ARG A 12 2.514 -26.279 -2.345 1.00 0.00 N ATOM 141 NH2 ARG A 12 4.296 -24.920 -1.856 1.00 0.00 N ATOM 0 H ARG A 12 -1.345 -22.224 -7.251 1.00 0.00 H new ATOM 0 HA ARG A 12 0.871 -21.046 -6.040 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -0.702 -23.351 -5.750 1.00 0.00 H new ATOM 0 HB3 ARG A 12 0.901 -23.983 -6.072 1.00 0.00 H new ATOM 0 HG2 ARG A 12 1.589 -22.152 -4.232 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -0.078 -22.376 -3.740 1.00 0.00 H new ATOM 0 HD2 ARG A 12 0.399 -24.356 -2.774 1.00 0.00 H new ATOM 0 HD3 ARG A 12 1.112 -24.966 -4.254 1.00 0.00 H new ATOM 0 HE ARG A 12 2.937 -23.148 -2.951 1.00 0.00 H new ATOM 0 HH11 ARG A 12 1.586 -26.411 -2.748 1.00 0.00 H new ATOM 0 HH12 ARG A 12 2.999 -27.066 -1.914 1.00 0.00 H new ATOM 0 HH21 ARG A 12 4.744 -24.004 -1.881 1.00 0.00 H new ATOM 0 HH22 ARG A 12 4.776 -25.711 -1.426 1.00 0.00 H new ATOM 155 N ALA A 13 1.576 -22.734 -8.729 1.00 0.00 N ATOM 156 CA ALA A 13 2.640 -23.070 -9.669 1.00 0.00 C ATOM 157 C ALA A 13 2.640 -22.121 -10.864 1.00 0.00 C ATOM 158 O ALA A 13 3.698 -21.735 -11.360 1.00 0.00 O ATOM 159 CB ALA A 13 2.493 -24.510 -10.139 1.00 0.00 C ATOM 0 H ALA A 13 0.634 -22.916 -9.075 1.00 0.00 H new ATOM 0 HA ALA A 13 3.594 -22.961 -9.152 1.00 0.00 H new ATOM 0 HB1 ALA A 13 3.293 -24.747 -10.840 1.00 0.00 H new ATOM 0 HB2 ALA A 13 2.551 -25.180 -9.281 1.00 0.00 H new ATOM 0 HB3 ALA A 13 1.529 -24.635 -10.633 1.00 0.00 H new ATOM 165 N GLN A 14 1.449 -21.750 -11.323 1.00 0.00 N ATOM 166 CA GLN A 14 1.315 -20.848 -12.460 1.00 0.00 C ATOM 167 C GLN A 14 1.863 -19.462 -12.128 1.00 0.00 C ATOM 168 O GLN A 14 2.321 -18.738 -13.012 1.00 0.00 O ATOM 169 CB GLN A 14 -0.150 -20.741 -12.886 1.00 0.00 C ATOM 170 CG GLN A 14 -0.349 -20.011 -14.205 1.00 0.00 C ATOM 171 CD GLN A 14 0.175 -20.798 -15.391 1.00 0.00 C ATOM 172 OE1 GLN A 14 1.485 -20.748 -15.603 1.00 0.00 O flip ATOM 173 NE2 GLN A 14 -0.589 -21.443 -16.109 1.00 0.00 N flip ATOM 0 H GLN A 14 0.563 -22.061 -10.924 1.00 0.00 H new ATOM 0 HA GLN A 14 1.897 -21.260 -13.285 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -0.570 -21.744 -12.968 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -0.710 -20.224 -12.106 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -1.411 -19.809 -14.348 1.00 0.00 H new ATOM 0 HG3 GLN A 14 0.156 -19.046 -14.162 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -1.589 -21.454 -15.909 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -0.222 -21.967 -16.903 1.00 0.00 H new ATOM 182 N GLN A 15 1.812 -19.099 -10.850 1.00 0.00 N ATOM 183 CA GLN A 15 2.305 -17.800 -10.406 1.00 0.00 C ATOM 184 C GLN A 15 3.723 -17.914 -9.855 1.00 0.00 C ATOM 185 O GLN A 15 4.086 -17.227 -8.900 1.00 0.00 O ATOM 186 CB GLN A 15 1.377 -17.214 -9.340 1.00 0.00 C ATOM 187 CG GLN A 15 -0.041 -16.977 -9.833 1.00 0.00 C ATOM 188 CD GLN A 15 -0.303 -15.523 -10.171 1.00 0.00 C ATOM 189 OE1 GLN A 15 0.038 -14.623 -9.404 1.00 0.00 O ATOM 190 NE2 GLN A 15 -0.913 -15.285 -11.327 1.00 0.00 N ATOM 0 H GLN A 15 1.435 -19.685 -10.105 1.00 0.00 H new ATOM 0 HA GLN A 15 2.322 -17.134 -11.268 1.00 0.00 H new ATOM 0 HB2 GLN A 15 1.348 -17.889 -8.485 1.00 0.00 H new ATOM 0 HB3 GLN A 15 1.793 -16.270 -8.987 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -0.222 -17.590 -10.716 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -0.747 -17.302 -9.069 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -1.178 -16.061 -11.933 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -1.116 -14.326 -11.609 1.00 0.00 H new ATOM 199 N GLU A 16 4.520 -18.786 -10.464 1.00 0.00 N ATOM 200 CA GLU A 16 5.899 -18.990 -10.035 1.00 0.00 C ATOM 201 C GLU A 16 6.876 -18.656 -11.158 1.00 0.00 C ATOM 202 O GLU A 16 7.944 -18.091 -10.916 1.00 0.00 O ATOM 203 CB GLU A 16 6.103 -20.436 -9.578 1.00 0.00 C ATOM 204 CG GLU A 16 5.178 -20.854 -8.448 1.00 0.00 C ATOM 205 CD GLU A 16 5.703 -22.050 -7.677 1.00 0.00 C ATOM 206 OE1 GLU A 16 6.351 -22.918 -8.297 1.00 0.00 O ATOM 207 OE2 GLU A 16 5.467 -22.117 -6.452 1.00 0.00 O ATOM 0 H GLU A 16 4.235 -19.362 -11.256 1.00 0.00 H new ATOM 0 HA GLU A 16 6.095 -18.320 -9.198 1.00 0.00 H new ATOM 0 HB2 GLU A 16 5.949 -21.102 -10.427 1.00 0.00 H new ATOM 0 HB3 GLU A 16 7.137 -20.564 -9.256 1.00 0.00 H new ATOM 0 HG2 GLU A 16 5.044 -20.016 -7.764 1.00 0.00 H new ATOM 0 HG3 GLU A 16 4.196 -21.092 -8.857 1.00 0.00 H new ATOM 214 N ALA A 17 6.506 -19.007 -12.385 1.00 0.00 N ATOM 215 CA ALA A 17 7.352 -18.744 -13.543 1.00 0.00 C ATOM 216 C ALA A 17 6.744 -17.666 -14.434 1.00 0.00 C ATOM 217 O ALA A 17 7.463 -16.891 -15.066 1.00 0.00 O ATOM 218 CB ALA A 17 7.573 -20.024 -14.336 1.00 0.00 C ATOM 0 H ALA A 17 5.626 -19.474 -12.603 1.00 0.00 H new ATOM 0 HA ALA A 17 8.315 -18.381 -13.184 1.00 0.00 H new ATOM 0 HB1 ALA A 17 8.206 -19.813 -15.198 1.00 0.00 H new ATOM 0 HB2 ALA A 17 8.058 -20.766 -13.702 1.00 0.00 H new ATOM 0 HB3 ALA A 17 6.613 -20.411 -14.677 1.00 0.00 H new ATOM 224 N GLU A 18 5.417 -17.621 -14.480 1.00 0.00 N ATOM 225 CA GLU A 18 4.714 -16.638 -15.295 1.00 0.00 C ATOM 226 C GLU A 18 4.529 -15.329 -14.532 1.00 0.00 C ATOM 227 O GLU A 18 4.779 -14.249 -15.065 1.00 0.00 O ATOM 228 CB GLU A 18 3.352 -17.185 -15.730 1.00 0.00 C ATOM 229 CG GLU A 18 3.378 -17.873 -17.086 1.00 0.00 C ATOM 230 CD GLU A 18 2.777 -17.018 -18.184 1.00 0.00 C ATOM 231 OE1 GLU A 18 3.155 -15.831 -18.287 1.00 0.00 O ATOM 232 OE2 GLU A 18 1.928 -17.533 -18.941 1.00 0.00 O ATOM 0 H GLU A 18 4.807 -18.254 -13.962 1.00 0.00 H new ATOM 0 HA GLU A 18 5.318 -16.439 -16.180 1.00 0.00 H new ATOM 0 HB2 GLU A 18 2.997 -17.892 -14.980 1.00 0.00 H new ATOM 0 HB3 GLU A 18 2.634 -16.366 -15.761 1.00 0.00 H new ATOM 0 HG2 GLU A 18 4.408 -18.119 -17.345 1.00 0.00 H new ATOM 0 HG3 GLU A 18 2.831 -18.814 -17.023 1.00 0.00 H new ATOM 239 N ALA A 19 4.090 -15.437 -13.282 1.00 0.00 N ATOM 240 CA ALA A 19 3.872 -14.262 -12.446 1.00 0.00 C ATOM 241 C ALA A 19 5.076 -13.998 -11.547 1.00 0.00 C ATOM 242 O ALA A 19 4.923 -13.637 -10.379 1.00 0.00 O ATOM 243 CB ALA A 19 2.613 -14.438 -11.610 1.00 0.00 C ATOM 0 H ALA A 19 3.879 -16.325 -12.826 1.00 0.00 H new ATOM 0 HA ALA A 19 3.744 -13.398 -13.099 1.00 0.00 H new ATOM 0 HB1 ALA A 19 2.461 -13.554 -10.990 1.00 0.00 H new ATOM 0 HB2 ALA A 19 1.755 -14.571 -12.268 1.00 0.00 H new ATOM 0 HB3 ALA A 19 2.720 -15.315 -10.971 1.00 0.00 H new ATOM 249 N ALA A 20 6.271 -14.179 -12.097 1.00 0.00 N ATOM 250 CA ALA A 20 7.499 -13.958 -11.345 1.00 0.00 C ATOM 251 C ALA A 20 8.585 -13.355 -12.230 1.00 0.00 C ATOM 252 O ALA A 20 9.244 -12.388 -11.848 1.00 0.00 O ATOM 253 CB ALA A 20 7.983 -15.264 -10.731 1.00 0.00 C ATOM 0 H ALA A 20 6.415 -14.478 -13.061 1.00 0.00 H new ATOM 0 HA ALA A 20 7.283 -13.249 -10.545 1.00 0.00 H new ATOM 0 HB1 ALA A 20 8.901 -15.085 -10.172 1.00 0.00 H new ATOM 0 HB2 ALA A 20 7.219 -15.655 -10.059 1.00 0.00 H new ATOM 0 HB3 ALA A 20 8.175 -15.989 -11.522 1.00 0.00 H new ATOM 259 N GLN A 21 8.765 -13.932 -13.413 1.00 0.00 N ATOM 260 CA GLN A 21 9.771 -13.450 -14.353 1.00 0.00 C ATOM 261 C GLN A 21 9.498 -12.003 -14.748 1.00 0.00 C ATOM 262 O GLN A 21 10.385 -11.152 -14.679 1.00 0.00 O ATOM 263 CB GLN A 21 9.802 -14.339 -15.599 1.00 0.00 C ATOM 264 CG GLN A 21 11.172 -14.928 -15.892 1.00 0.00 C ATOM 265 CD GLN A 21 11.275 -16.389 -15.499 1.00 0.00 C ATOM 266 OE1 GLN A 21 12.170 -16.780 -14.751 1.00 0.00 O ATOM 267 NE2 GLN A 21 10.356 -17.204 -16.005 1.00 0.00 N ATOM 0 H GLN A 21 8.228 -14.734 -13.744 1.00 0.00 H new ATOM 0 HA GLN A 21 10.743 -13.494 -13.862 1.00 0.00 H new ATOM 0 HB2 GLN A 21 9.086 -15.151 -15.474 1.00 0.00 H new ATOM 0 HB3 GLN A 21 9.475 -13.756 -16.460 1.00 0.00 H new ATOM 0 HG2 GLN A 21 11.387 -14.826 -16.956 1.00 0.00 H new ATOM 0 HG3 GLN A 21 11.931 -14.357 -15.357 1.00 0.00 H new ATOM 0 HE21 GLN A 21 9.632 -16.836 -16.622 1.00 0.00 H new ATOM 0 HE22 GLN A 21 10.375 -18.198 -15.777 1.00 0.00 H new ATOM 276 N ARG A 22 8.265 -11.730 -15.164 1.00 0.00 N ATOM 277 CA ARG A 22 7.875 -10.385 -15.570 1.00 0.00 C ATOM 278 C ARG A 22 7.137 -9.668 -14.443 1.00 0.00 C ATOM 279 O ARG A 22 6.266 -8.834 -14.691 1.00 0.00 O ATOM 280 CB ARG A 22 6.994 -10.442 -16.818 1.00 0.00 C ATOM 281 CG ARG A 22 7.640 -11.167 -17.987 1.00 0.00 C ATOM 282 CD ARG A 22 8.500 -10.229 -18.819 1.00 0.00 C ATOM 283 NE ARG A 22 9.794 -10.822 -19.151 1.00 0.00 N ATOM 284 CZ ARG A 22 9.958 -11.787 -20.054 1.00 0.00 C ATOM 285 NH1 ARG A 22 8.913 -12.271 -20.715 1.00 0.00 N ATOM 286 NH2 ARG A 22 11.168 -12.270 -20.295 1.00 0.00 N ATOM 0 H ARG A 22 7.519 -12.423 -15.229 1.00 0.00 H new ATOM 0 HA ARG A 22 8.781 -9.825 -15.799 1.00 0.00 H new ATOM 0 HB2 ARG A 22 6.056 -10.937 -16.568 1.00 0.00 H new ATOM 0 HB3 ARG A 22 6.746 -9.426 -17.124 1.00 0.00 H new ATOM 0 HG2 ARG A 22 8.252 -11.988 -17.614 1.00 0.00 H new ATOM 0 HG3 ARG A 22 6.866 -11.607 -18.616 1.00 0.00 H new ATOM 0 HD2 ARG A 22 7.972 -9.973 -19.738 1.00 0.00 H new ATOM 0 HD3 ARG A 22 8.657 -9.300 -18.271 1.00 0.00 H new ATOM 0 HE ARG A 22 10.620 -10.476 -18.662 1.00 0.00 H new ATOM 0 HH11 ARG A 22 7.979 -11.904 -20.532 1.00 0.00 H new ATOM 0 HH12 ARG A 22 9.044 -13.010 -21.406 1.00 0.00 H new ATOM 0 HH21 ARG A 22 11.974 -11.903 -19.789 1.00 0.00 H new ATOM 0 HH22 ARG A 22 11.294 -13.009 -20.987 1.00 0.00 H new ATOM 300 N LEU A 23 7.492 -9.998 -13.206 1.00 0.00 N ATOM 301 CA LEU A 23 6.864 -9.386 -12.042 1.00 0.00 C ATOM 302 C LEU A 23 7.904 -9.043 -10.979 1.00 0.00 C ATOM 303 O LEU A 23 7.612 -9.055 -9.784 1.00 0.00 O ATOM 304 CB LEU A 23 5.809 -10.324 -11.453 1.00 0.00 C ATOM 305 CG LEU A 23 4.637 -9.627 -10.758 1.00 0.00 C ATOM 306 CD1 LEU A 23 3.710 -8.993 -11.783 1.00 0.00 C ATOM 307 CD2 LEU A 23 3.875 -10.612 -9.885 1.00 0.00 C ATOM 0 H LEU A 23 8.212 -10.686 -12.984 1.00 0.00 H new ATOM 0 HA LEU A 23 6.382 -8.463 -12.365 1.00 0.00 H new ATOM 0 HB2 LEU A 23 5.416 -10.952 -12.253 1.00 0.00 H new ATOM 0 HB3 LEU A 23 6.294 -10.987 -10.737 1.00 0.00 H new ATOM 0 HG LEU A 23 5.034 -8.837 -10.120 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.883 -8.502 -11.271 1.00 0.00 H new ATOM 0 HD12 LEU A 23 4.263 -8.257 -12.367 1.00 0.00 H new ATOM 0 HD13 LEU A 23 3.319 -9.764 -12.447 1.00 0.00 H new ATOM 0 HD21 LEU A 23 3.045 -10.100 -9.398 1.00 0.00 H new ATOM 0 HD22 LEU A 23 3.489 -11.423 -10.503 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.544 -11.020 -9.127 1.00 0.00 H new ATOM 319 N SER A 24 9.119 -8.735 -11.425 1.00 0.00 N ATOM 320 CA SER A 24 10.201 -8.388 -10.512 1.00 0.00 C ATOM 321 C SER A 24 10.259 -6.880 -10.285 1.00 0.00 C ATOM 322 O SER A 24 10.602 -6.420 -9.196 1.00 0.00 O ATOM 323 CB SER A 24 11.541 -8.883 -11.063 1.00 0.00 C ATOM 324 OG SER A 24 11.801 -8.334 -12.343 1.00 0.00 O ATOM 0 H SER A 24 9.377 -8.719 -12.412 1.00 0.00 H new ATOM 0 HA SER A 24 10.006 -8.875 -9.556 1.00 0.00 H new ATOM 0 HB2 SER A 24 12.343 -8.610 -10.377 1.00 0.00 H new ATOM 0 HB3 SER A 24 11.532 -9.971 -11.126 1.00 0.00 H new ATOM 0 HG SER A 24 12.663 -8.664 -12.672 1.00 0.00 H new ATOM 330 N GLU A 25 9.920 -6.118 -11.318 1.00 0.00 N ATOM 331 CA GLU A 25 9.933 -4.663 -11.232 1.00 0.00 C ATOM 332 C GLU A 25 8.821 -4.164 -10.314 1.00 0.00 C ATOM 333 O GLU A 25 9.015 -3.226 -9.540 1.00 0.00 O ATOM 334 CB GLU A 25 9.781 -4.045 -12.624 1.00 0.00 C ATOM 335 CG GLU A 25 11.035 -3.340 -13.117 1.00 0.00 C ATOM 336 CD GLU A 25 11.027 -3.116 -14.616 1.00 0.00 C ATOM 337 OE1 GLU A 25 10.279 -2.229 -15.080 1.00 0.00 O ATOM 338 OE2 GLU A 25 11.769 -3.826 -15.327 1.00 0.00 O ATOM 0 H GLU A 25 9.633 -6.484 -12.226 1.00 0.00 H new ATOM 0 HA GLU A 25 10.891 -4.357 -10.812 1.00 0.00 H new ATOM 0 HB2 GLU A 25 9.512 -4.828 -13.333 1.00 0.00 H new ATOM 0 HB3 GLU A 25 8.956 -3.333 -12.608 1.00 0.00 H new ATOM 0 HG2 GLU A 25 11.130 -2.380 -12.610 1.00 0.00 H new ATOM 0 HG3 GLU A 25 11.910 -3.931 -12.846 1.00 0.00 H new ATOM 345 N GLU A 26 7.657 -4.798 -10.404 1.00 0.00 N ATOM 346 CA GLU A 26 6.513 -4.419 -9.581 1.00 0.00 C ATOM 347 C GLU A 26 6.841 -4.562 -8.098 1.00 0.00 C ATOM 348 O GLU A 26 6.385 -3.771 -7.272 1.00 0.00 O ATOM 349 CB GLU A 26 5.298 -5.279 -9.935 1.00 0.00 C ATOM 350 CG GLU A 26 4.335 -4.605 -10.900 1.00 0.00 C ATOM 351 CD GLU A 26 2.896 -5.023 -10.674 1.00 0.00 C ATOM 352 OE1 GLU A 26 2.663 -6.216 -10.380 1.00 0.00 O ATOM 353 OE2 GLU A 26 2.001 -4.160 -10.791 1.00 0.00 O ATOM 0 H GLU A 26 7.480 -5.577 -11.038 1.00 0.00 H new ATOM 0 HA GLU A 26 6.279 -3.374 -9.783 1.00 0.00 H new ATOM 0 HB2 GLU A 26 5.642 -6.216 -10.373 1.00 0.00 H new ATOM 0 HB3 GLU A 26 4.764 -5.532 -9.019 1.00 0.00 H new ATOM 0 HG2 GLU A 26 4.416 -3.523 -10.793 1.00 0.00 H new ATOM 0 HG3 GLU A 26 4.623 -4.846 -11.923 1.00 0.00 H new ATOM 360 N LYS A 27 7.635 -5.575 -7.768 1.00 0.00 N ATOM 361 CA LYS A 27 8.025 -5.821 -6.384 1.00 0.00 C ATOM 362 C LYS A 27 9.044 -4.788 -5.916 1.00 0.00 C ATOM 363 O LYS A 27 9.041 -4.382 -4.753 1.00 0.00 O ATOM 364 CB LYS A 27 8.604 -7.230 -6.238 1.00 0.00 C ATOM 365 CG LYS A 27 8.990 -7.584 -4.812 1.00 0.00 C ATOM 366 CD LYS A 27 8.884 -9.079 -4.561 1.00 0.00 C ATOM 367 CE LYS A 27 10.214 -9.779 -4.788 1.00 0.00 C ATOM 368 NZ LYS A 27 10.488 -10.803 -3.743 1.00 0.00 N ATOM 0 H LYS A 27 8.021 -6.239 -8.439 1.00 0.00 H new ATOM 0 HA LYS A 27 7.135 -5.736 -5.760 1.00 0.00 H new ATOM 0 HB2 LYS A 27 7.872 -7.953 -6.598 1.00 0.00 H new ATOM 0 HB3 LYS A 27 9.483 -7.321 -6.877 1.00 0.00 H new ATOM 0 HG2 LYS A 27 10.010 -7.253 -4.617 1.00 0.00 H new ATOM 0 HG3 LYS A 27 8.343 -7.050 -4.116 1.00 0.00 H new ATOM 0 HD2 LYS A 27 8.550 -9.254 -3.538 1.00 0.00 H new ATOM 0 HD3 LYS A 27 8.129 -9.507 -5.221 1.00 0.00 H new ATOM 0 HE2 LYS A 27 10.212 -10.253 -5.769 1.00 0.00 H new ATOM 0 HE3 LYS A 27 11.016 -9.041 -4.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 11.404 -11.257 -3.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 10.516 -10.347 -2.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 9.736 -11.521 -3.755 1.00 0.00 H new ATOM 382 N ALA A 28 9.914 -4.368 -6.827 1.00 0.00 N ATOM 383 CA ALA A 28 10.939 -3.381 -6.508 1.00 0.00 C ATOM 384 C ALA A 28 10.314 -2.075 -6.034 1.00 0.00 C ATOM 385 O ALA A 28 10.740 -1.498 -5.032 1.00 0.00 O ATOM 386 CB ALA A 28 11.829 -3.136 -7.717 1.00 0.00 C ATOM 0 H ALA A 28 9.930 -4.696 -7.793 1.00 0.00 H new ATOM 0 HA ALA A 28 11.549 -3.776 -5.696 1.00 0.00 H new ATOM 0 HB1 ALA A 28 12.590 -2.397 -7.465 1.00 0.00 H new ATOM 0 HB2 ALA A 28 12.312 -4.069 -8.009 1.00 0.00 H new ATOM 0 HB3 ALA A 28 11.224 -2.766 -8.545 1.00 0.00 H new ATOM 392 N GLN A 29 9.300 -1.613 -6.758 1.00 0.00 N ATOM 393 CA GLN A 29 8.614 -0.374 -6.410 1.00 0.00 C ATOM 394 C GLN A 29 7.709 -0.577 -5.199 1.00 0.00 C ATOM 395 O GLN A 29 7.544 0.325 -4.377 1.00 0.00 O ATOM 396 CB GLN A 29 7.793 0.131 -7.597 1.00 0.00 C ATOM 397 CG GLN A 29 8.640 0.573 -8.778 1.00 0.00 C ATOM 398 CD GLN A 29 8.780 -0.506 -9.834 1.00 0.00 C ATOM 399 OE1 GLN A 29 7.652 -1.053 -10.273 1.00 0.00 O flip ATOM 400 NE2 GLN A 29 9.887 -0.845 -10.248 1.00 0.00 N flip ATOM 0 H GLN A 29 8.935 -2.078 -7.589 1.00 0.00 H new ATOM 0 HA GLN A 29 9.368 0.372 -6.157 1.00 0.00 H new ATOM 0 HB2 GLN A 29 7.116 -0.659 -7.922 1.00 0.00 H new ATOM 0 HB3 GLN A 29 7.175 0.967 -7.271 1.00 0.00 H new ATOM 0 HG2 GLN A 29 8.194 1.460 -9.228 1.00 0.00 H new ATOM 0 HG3 GLN A 29 9.630 0.859 -8.423 1.00 0.00 H new ATOM 0 HE21 GLN A 29 10.727 -0.397 -9.882 1.00 0.00 H new ATOM 0 HE22 GLN A 29 9.965 -1.574 -10.957 1.00 0.00 H new ATOM 409 N ALA A 30 7.126 -1.767 -5.096 1.00 0.00 N ATOM 410 CA ALA A 30 6.238 -2.090 -3.986 1.00 0.00 C ATOM 411 C ALA A 30 7.005 -2.149 -2.669 1.00 0.00 C ATOM 412 O ALA A 30 6.445 -1.902 -1.602 1.00 0.00 O ATOM 413 CB ALA A 30 5.530 -3.410 -4.247 1.00 0.00 C ATOM 0 H ALA A 30 7.253 -2.524 -5.768 1.00 0.00 H new ATOM 0 HA ALA A 30 5.492 -1.299 -3.906 1.00 0.00 H new ATOM 0 HB1 ALA A 30 4.870 -3.640 -3.411 1.00 0.00 H new ATOM 0 HB2 ALA A 30 4.943 -3.333 -5.162 1.00 0.00 H new ATOM 0 HB3 ALA A 30 6.269 -4.204 -4.355 1.00 0.00 H new ATOM 419 N SER A 31 8.291 -2.478 -2.752 1.00 0.00 N ATOM 420 CA SER A 31 9.133 -2.568 -1.565 1.00 0.00 C ATOM 421 C SER A 31 9.948 -1.292 -1.377 1.00 0.00 C ATOM 422 O SER A 31 11.063 -1.326 -0.856 1.00 0.00 O ATOM 423 CB SER A 31 10.067 -3.776 -1.667 1.00 0.00 C ATOM 424 OG SER A 31 10.083 -4.513 -0.457 1.00 0.00 O ATOM 0 H SER A 31 8.771 -2.686 -3.627 1.00 0.00 H new ATOM 0 HA SER A 31 8.484 -2.692 -0.698 1.00 0.00 H new ATOM 0 HB2 SER A 31 9.745 -4.421 -2.485 1.00 0.00 H new ATOM 0 HB3 SER A 31 11.076 -3.440 -1.905 1.00 0.00 H new ATOM 0 HG SER A 31 10.686 -5.280 -0.549 1.00 0.00 H new ATOM 430 N ALA A 32 9.384 -0.167 -1.806 1.00 0.00 N ATOM 431 CA ALA A 32 10.059 1.120 -1.685 1.00 0.00 C ATOM 432 C ALA A 32 9.093 2.202 -1.210 1.00 0.00 C ATOM 433 O ALA A 32 9.408 2.976 -0.308 1.00 0.00 O ATOM 434 CB ALA A 32 10.687 1.512 -3.015 1.00 0.00 C ATOM 0 H ALA A 32 8.462 -0.121 -2.240 1.00 0.00 H new ATOM 0 HA ALA A 32 10.848 1.023 -0.939 1.00 0.00 H new ATOM 0 HB1 ALA A 32 11.188 2.475 -2.911 1.00 0.00 H new ATOM 0 HB2 ALA A 32 11.413 0.755 -3.312 1.00 0.00 H new ATOM 0 HB3 ALA A 32 9.910 1.587 -3.776 1.00 0.00 H new ATOM 440 N ILE A 33 7.916 2.249 -1.827 1.00 0.00 N ATOM 441 CA ILE A 33 6.905 3.236 -1.467 1.00 0.00 C ATOM 442 C ILE A 33 6.257 2.894 -0.129 1.00 0.00 C ATOM 443 O ILE A 33 5.595 1.865 0.006 1.00 0.00 O ATOM 444 CB ILE A 33 5.809 3.337 -2.545 1.00 0.00 C ATOM 445 CG1 ILE A 33 6.436 3.515 -3.929 1.00 0.00 C ATOM 446 CG2 ILE A 33 4.865 4.489 -2.236 1.00 0.00 C ATOM 447 CD1 ILE A 33 5.517 3.124 -5.065 1.00 0.00 C ATOM 0 H ILE A 33 7.640 1.616 -2.577 1.00 0.00 H new ATOM 0 HA ILE A 33 7.414 4.197 -1.387 1.00 0.00 H new ATOM 0 HB ILE A 33 5.235 2.410 -2.543 1.00 0.00 H new ATOM 0 HG12 ILE A 33 6.731 4.557 -4.054 1.00 0.00 H new ATOM 0 HG13 ILE A 33 7.346 2.917 -3.986 1.00 0.00 H new ATOM 0 HG21 ILE A 33 4.097 4.547 -3.007 1.00 0.00 H new ATOM 0 HG22 ILE A 33 4.395 4.324 -1.267 1.00 0.00 H new ATOM 0 HG23 ILE A 33 5.426 5.423 -2.213 1.00 0.00 H new ATOM 0 HD11 ILE A 33 6.028 3.276 -6.016 1.00 0.00 H new ATOM 0 HD12 ILE A 33 5.242 2.074 -4.965 1.00 0.00 H new ATOM 0 HD13 ILE A 33 4.618 3.739 -5.034 1.00 0.00 H new ATOM 459 N SER A 34 6.451 3.764 0.857 1.00 0.00 N ATOM 460 CA SER A 34 5.886 3.554 2.184 1.00 0.00 C ATOM 461 C SER A 34 4.469 4.113 2.267 1.00 0.00 C ATOM 462 O SER A 34 3.944 4.649 1.290 1.00 0.00 O ATOM 463 CB SER A 34 6.768 4.211 3.247 1.00 0.00 C ATOM 464 OG SER A 34 8.138 4.139 2.889 1.00 0.00 O ATOM 0 H SER A 34 6.995 4.621 0.761 1.00 0.00 H new ATOM 0 HA SER A 34 5.846 2.480 2.368 1.00 0.00 H new ATOM 0 HB2 SER A 34 6.476 5.254 3.373 1.00 0.00 H new ATOM 0 HB3 SER A 34 6.613 3.719 4.207 1.00 0.00 H new ATOM 0 HG SER A 34 8.681 4.567 3.584 1.00 0.00 H new ATOM 470 N VAL A 35 3.855 3.984 3.439 1.00 0.00 N ATOM 471 CA VAL A 35 2.498 4.475 3.648 1.00 0.00 C ATOM 472 C VAL A 35 2.504 5.808 4.390 1.00 0.00 C ATOM 473 O VAL A 35 3.333 6.036 5.271 1.00 0.00 O ATOM 474 CB VAL A 35 1.651 3.463 4.442 1.00 0.00 C ATOM 475 CG1 VAL A 35 0.194 3.898 4.478 1.00 0.00 C ATOM 476 CG2 VAL A 35 1.785 2.070 3.845 1.00 0.00 C ATOM 0 H VAL A 35 4.275 3.544 4.258 1.00 0.00 H new ATOM 0 HA VAL A 35 2.056 4.613 2.661 1.00 0.00 H new ATOM 0 HB VAL A 35 2.022 3.431 5.467 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -0.389 3.171 5.043 1.00 0.00 H new ATOM 0 HG12 VAL A 35 0.118 4.875 4.956 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -0.192 3.961 3.461 1.00 0.00 H new ATOM 0 HG21 VAL A 35 1.180 1.368 4.419 1.00 0.00 H new ATOM 0 HG22 VAL A 35 1.442 2.083 2.810 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.829 1.759 3.877 1.00 0.00 H new ATOM 486 N GLY A 36 1.574 6.685 4.025 1.00 0.00 N ATOM 487 CA GLY A 36 1.489 7.984 4.665 1.00 0.00 C ATOM 488 C GLY A 36 2.519 8.962 4.137 1.00 0.00 C ATOM 489 O GLY A 36 2.976 9.846 4.861 1.00 0.00 O ATOM 0 H GLY A 36 0.878 6.519 3.298 1.00 0.00 H new ATOM 0 HA2 GLY A 36 0.491 8.395 4.513 1.00 0.00 H new ATOM 0 HA3 GLY A 36 1.624 7.865 5.740 1.00 0.00 H new ATOM 493 N SER A 37 2.887 8.804 2.869 1.00 0.00 N ATOM 494 CA SER A 37 3.871 9.680 2.244 1.00 0.00 C ATOM 495 C SER A 37 3.283 10.370 1.016 1.00 0.00 C ATOM 496 O SER A 37 2.464 9.796 0.300 1.00 0.00 O ATOM 497 CB SER A 37 5.115 8.884 1.848 1.00 0.00 C ATOM 498 OG SER A 37 5.588 8.104 2.933 1.00 0.00 O ATOM 0 H SER A 37 2.518 8.078 2.255 1.00 0.00 H new ATOM 0 HA SER A 37 4.152 10.444 2.969 1.00 0.00 H new ATOM 0 HB2 SER A 37 4.882 8.235 1.004 1.00 0.00 H new ATOM 0 HB3 SER A 37 5.898 9.567 1.518 1.00 0.00 H new ATOM 0 HG SER A 37 6.383 7.603 2.654 1.00 0.00 H new ATOM 504 N ARG A 38 3.709 11.606 0.780 1.00 0.00 N ATOM 505 CA ARG A 38 3.226 12.376 -0.362 1.00 0.00 C ATOM 506 C ARG A 38 3.997 12.014 -1.627 1.00 0.00 C ATOM 507 O ARG A 38 5.159 12.391 -1.786 1.00 0.00 O ATOM 508 CB ARG A 38 3.352 13.875 -0.084 1.00 0.00 C ATOM 509 CG ARG A 38 2.363 14.387 0.950 1.00 0.00 C ATOM 510 CD ARG A 38 0.946 14.412 0.401 1.00 0.00 C ATOM 511 NE ARG A 38 0.693 15.601 -0.409 1.00 0.00 N ATOM 512 CZ ARG A 38 0.567 16.827 0.093 1.00 0.00 C ATOM 513 NH1 ARG A 38 0.668 17.029 1.401 1.00 0.00 N ATOM 514 NH2 ARG A 38 0.339 17.854 -0.714 1.00 0.00 N ATOM 0 H ARG A 38 4.387 12.096 1.363 1.00 0.00 H new ATOM 0 HA ARG A 38 2.175 12.130 -0.516 1.00 0.00 H new ATOM 0 HB2 ARG A 38 4.365 14.089 0.257 1.00 0.00 H new ATOM 0 HB3 ARG A 38 3.207 14.422 -1.015 1.00 0.00 H new ATOM 0 HG2 ARG A 38 2.400 13.753 1.836 1.00 0.00 H new ATOM 0 HG3 ARG A 38 2.650 15.390 1.264 1.00 0.00 H new ATOM 0 HD2 ARG A 38 0.775 13.520 -0.202 1.00 0.00 H new ATOM 0 HD3 ARG A 38 0.236 14.379 1.228 1.00 0.00 H new ATOM 0 HE ARG A 38 0.608 15.485 -1.419 1.00 0.00 H new ATOM 0 HH11 ARG A 38 0.843 16.243 2.026 1.00 0.00 H new ATOM 0 HH12 ARG A 38 0.571 17.971 1.781 1.00 0.00 H new ATOM 0 HH21 ARG A 38 0.260 17.704 -1.720 1.00 0.00 H new ATOM 0 HH22 ARG A 38 0.242 18.794 -0.329 1.00 0.00 H new ATOM 528 N CYS A 39 3.345 11.282 -2.523 1.00 0.00 N ATOM 529 CA CYS A 39 3.970 10.869 -3.775 1.00 0.00 C ATOM 530 C CYS A 39 3.123 11.288 -4.972 1.00 0.00 C ATOM 531 O CYS A 39 1.913 11.483 -4.851 1.00 0.00 O ATOM 532 CB CYS A 39 4.180 9.354 -3.789 1.00 0.00 C ATOM 533 SG CYS A 39 4.916 8.699 -2.273 1.00 0.00 S ATOM 0 H CYS A 39 2.384 10.962 -2.406 1.00 0.00 H new ATOM 0 HA CYS A 39 4.938 11.364 -3.848 1.00 0.00 H new ATOM 0 HB2 CYS A 39 3.220 8.866 -3.955 1.00 0.00 H new ATOM 0 HB3 CYS A 39 4.819 9.094 -4.633 1.00 0.00 H new ATOM 0 HG CYS A 39 4.499 7.483 -2.078 1.00 0.00 H new ATOM 539 N GLU A 40 3.766 11.426 -6.127 1.00 0.00 N ATOM 540 CA GLU A 40 3.071 11.822 -7.347 1.00 0.00 C ATOM 541 C GLU A 40 2.484 10.607 -8.058 1.00 0.00 C ATOM 542 O GLU A 40 2.760 9.466 -7.690 1.00 0.00 O ATOM 543 CB GLU A 40 4.027 12.562 -8.284 1.00 0.00 C ATOM 544 CG GLU A 40 4.177 14.039 -7.958 1.00 0.00 C ATOM 545 CD GLU A 40 4.677 14.848 -9.139 1.00 0.00 C ATOM 546 OE1 GLU A 40 5.810 14.590 -9.599 1.00 0.00 O ATOM 547 OE2 GLU A 40 3.936 15.738 -9.605 1.00 0.00 O ATOM 0 H GLU A 40 4.767 11.270 -6.244 1.00 0.00 H new ATOM 0 HA GLU A 40 2.254 12.488 -7.070 1.00 0.00 H new ATOM 0 HB2 GLU A 40 5.007 12.087 -8.239 1.00 0.00 H new ATOM 0 HB3 GLU A 40 3.670 12.459 -9.309 1.00 0.00 H new ATOM 0 HG2 GLU A 40 3.215 14.435 -7.632 1.00 0.00 H new ATOM 0 HG3 GLU A 40 4.869 14.155 -7.124 1.00 0.00 H new ATOM 554 N VAL A 41 1.671 10.862 -9.078 1.00 0.00 N ATOM 555 CA VAL A 41 1.044 9.789 -9.841 1.00 0.00 C ATOM 556 C VAL A 41 0.994 10.128 -11.327 1.00 0.00 C ATOM 557 O VAL A 41 0.644 11.245 -11.708 1.00 0.00 O ATOM 558 CB VAL A 41 -0.385 9.506 -9.343 1.00 0.00 C ATOM 559 CG1 VAL A 41 -0.948 8.262 -10.013 1.00 0.00 C ATOM 560 CG2 VAL A 41 -0.405 9.361 -7.829 1.00 0.00 C ATOM 0 H VAL A 41 1.431 11.801 -9.395 1.00 0.00 H new ATOM 0 HA VAL A 41 1.655 8.898 -9.694 1.00 0.00 H new ATOM 0 HB VAL A 41 -1.017 10.352 -9.611 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.959 8.078 -9.648 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -0.973 8.410 -11.093 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -0.316 7.405 -9.779 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.424 9.161 -7.496 1.00 0.00 H new ATOM 0 HG22 VAL A 41 0.242 8.535 -7.534 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -0.048 10.283 -7.370 1.00 0.00 H new ATOM 570 N ARG A 42 1.346 9.156 -12.162 1.00 0.00 N ATOM 571 CA ARG A 42 1.340 9.351 -13.607 1.00 0.00 C ATOM 572 C ARG A 42 0.637 8.194 -14.309 1.00 0.00 C ATOM 573 O ARG A 42 1.204 7.111 -14.464 1.00 0.00 O ATOM 574 CB ARG A 42 2.772 9.484 -14.130 1.00 0.00 C ATOM 575 CG ARG A 42 2.884 10.338 -15.382 1.00 0.00 C ATOM 576 CD ARG A 42 3.918 9.781 -16.348 1.00 0.00 C ATOM 577 NE ARG A 42 3.300 9.212 -17.543 1.00 0.00 N ATOM 578 CZ ARG A 42 3.975 8.878 -18.641 1.00 0.00 C ATOM 579 NH1 ARG A 42 5.289 9.056 -18.699 1.00 0.00 N ATOM 580 NH2 ARG A 42 3.334 8.367 -19.683 1.00 0.00 N ATOM 0 H ARG A 42 1.639 8.226 -11.863 1.00 0.00 H new ATOM 0 HA ARG A 42 0.794 10.269 -13.822 1.00 0.00 H new ATOM 0 HB2 ARG A 42 3.397 9.916 -13.348 1.00 0.00 H new ATOM 0 HB3 ARG A 42 3.167 8.490 -14.341 1.00 0.00 H new ATOM 0 HG2 ARG A 42 1.914 10.389 -15.876 1.00 0.00 H new ATOM 0 HG3 ARG A 42 3.155 11.357 -15.105 1.00 0.00 H new ATOM 0 HD2 ARG A 42 4.607 10.574 -16.639 1.00 0.00 H new ATOM 0 HD3 ARG A 42 4.508 9.015 -15.845 1.00 0.00 H new ATOM 0 HE ARG A 42 2.291 9.062 -17.536 1.00 0.00 H new ATOM 0 HH11 ARG A 42 5.786 9.450 -17.900 1.00 0.00 H new ATOM 0 HH12 ARG A 42 5.802 8.799 -19.542 1.00 0.00 H new ATOM 0 HH21 ARG A 42 2.324 8.230 -19.643 1.00 0.00 H new ATOM 0 HH22 ARG A 42 3.851 8.111 -20.524 1.00 0.00 H new ATOM 594 N ALA A 43 -0.600 8.428 -14.731 1.00 0.00 N ATOM 595 CA ALA A 43 -1.381 7.406 -15.416 1.00 0.00 C ATOM 596 C ALA A 43 -2.161 8.000 -16.585 1.00 0.00 C ATOM 597 O ALA A 43 -2.298 9.218 -16.696 1.00 0.00 O ATOM 598 CB ALA A 43 -2.326 6.723 -14.438 1.00 0.00 C ATOM 0 H ALA A 43 -1.084 9.318 -14.610 1.00 0.00 H new ATOM 0 HA ALA A 43 -0.691 6.663 -15.817 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -2.904 5.962 -14.962 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -1.749 6.255 -13.640 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -3.003 7.462 -14.010 1.00 0.00 H new ATOM 604 N PRO A 44 -2.686 7.142 -17.477 1.00 0.00 N ATOM 605 CA PRO A 44 -3.457 7.587 -18.642 1.00 0.00 C ATOM 606 C PRO A 44 -4.823 8.146 -18.254 1.00 0.00 C ATOM 607 O PRO A 44 -5.860 7.609 -18.646 1.00 0.00 O ATOM 608 CB PRO A 44 -3.615 6.311 -19.472 1.00 0.00 C ATOM 609 CG PRO A 44 -3.528 5.203 -18.481 1.00 0.00 C ATOM 610 CD PRO A 44 -2.570 5.672 -17.419 1.00 0.00 C ATOM 0 HA PRO A 44 -2.960 8.398 -19.175 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -4.569 6.297 -19.999 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -2.833 6.230 -20.227 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -4.507 4.983 -18.054 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -3.172 4.286 -18.951 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -2.840 5.286 -16.436 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -1.552 5.341 -17.622 1.00 0.00 H new ATOM 618 N ASP A 45 -4.816 9.228 -17.483 1.00 0.00 N ATOM 619 CA ASP A 45 -6.055 9.860 -17.042 1.00 0.00 C ATOM 620 C ASP A 45 -6.093 11.327 -17.457 1.00 0.00 C ATOM 621 O ASP A 45 -7.104 11.812 -17.967 1.00 0.00 O ATOM 622 CB ASP A 45 -6.199 9.743 -15.523 1.00 0.00 C ATOM 623 CG ASP A 45 -6.882 8.456 -15.106 1.00 0.00 C ATOM 624 OD1 ASP A 45 -6.552 7.396 -15.678 1.00 0.00 O ATOM 625 OD2 ASP A 45 -7.747 8.507 -14.206 1.00 0.00 O ATOM 0 H ASP A 45 -3.967 9.686 -17.151 1.00 0.00 H new ATOM 0 HA ASP A 45 -6.888 9.344 -17.519 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -5.213 9.794 -15.062 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -6.770 10.592 -15.148 1.00 0.00 H new ATOM 630 N HIS A 46 -4.986 12.029 -17.236 1.00 0.00 N ATOM 631 CA HIS A 46 -4.894 13.440 -17.588 1.00 0.00 C ATOM 632 C HIS A 46 -3.450 13.929 -17.509 1.00 0.00 C ATOM 633 O HIS A 46 -2.841 14.260 -18.526 1.00 0.00 O ATOM 634 CB HIS A 46 -5.781 14.278 -16.666 1.00 0.00 C ATOM 635 CG HIS A 46 -6.215 15.577 -17.272 1.00 0.00 C ATOM 636 ND1 HIS A 46 -6.777 15.672 -18.528 1.00 0.00 N ATOM 637 CD2 HIS A 46 -6.170 16.841 -16.785 1.00 0.00 C ATOM 638 CE1 HIS A 46 -7.056 16.937 -18.789 1.00 0.00 C ATOM 639 NE2 HIS A 46 -6.699 17.665 -17.748 1.00 0.00 N ATOM 0 H HIS A 46 -4.141 11.643 -16.815 1.00 0.00 H new ATOM 0 HA HIS A 46 -5.241 13.555 -18.615 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -6.664 13.698 -16.399 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -5.241 14.480 -15.741 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -5.790 17.144 -15.821 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -7.501 17.311 -19.699 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -6.800 18.677 -17.671 1.00 0.00 H new ATOM 648 N SER A 47 -2.909 13.972 -16.295 1.00 0.00 N ATOM 649 CA SER A 47 -1.537 14.419 -16.085 1.00 0.00 C ATOM 650 C SER A 47 -1.042 14.022 -14.699 1.00 0.00 C ATOM 651 O SER A 47 -1.691 13.250 -13.994 1.00 0.00 O ATOM 652 CB SER A 47 -1.441 15.937 -16.256 1.00 0.00 C ATOM 653 OG SER A 47 -2.069 16.358 -17.455 1.00 0.00 O ATOM 0 H SER A 47 -3.400 13.703 -15.442 1.00 0.00 H new ATOM 0 HA SER A 47 -0.906 13.935 -16.830 1.00 0.00 H new ATOM 0 HB2 SER A 47 -1.908 16.432 -15.404 1.00 0.00 H new ATOM 0 HB3 SER A 47 -0.394 16.239 -16.265 1.00 0.00 H new ATOM 0 HG SER A 47 -1.907 15.696 -18.159 1.00 0.00 H new ATOM 659 N LEU A 48 0.113 14.555 -14.313 1.00 0.00 N ATOM 660 CA LEU A 48 0.695 14.257 -13.009 1.00 0.00 C ATOM 661 C LEU A 48 -0.094 14.940 -11.895 1.00 0.00 C ATOM 662 O LEU A 48 -0.697 15.992 -12.104 1.00 0.00 O ATOM 663 CB LEU A 48 2.159 14.705 -12.967 1.00 0.00 C ATOM 664 CG LEU A 48 3.184 13.583 -13.139 1.00 0.00 C ATOM 665 CD1 LEU A 48 4.510 14.142 -13.631 1.00 0.00 C ATOM 666 CD2 LEU A 48 3.373 12.829 -11.832 1.00 0.00 C ATOM 0 H LEU A 48 0.664 15.195 -14.884 1.00 0.00 H new ATOM 0 HA LEU A 48 0.649 13.179 -12.853 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.319 15.446 -13.750 1.00 0.00 H new ATOM 0 HB3 LEU A 48 2.344 15.203 -12.015 1.00 0.00 H new ATOM 0 HG LEU A 48 2.808 12.885 -13.887 1.00 0.00 H new ATOM 0 HD11 LEU A 48 5.227 13.329 -13.747 1.00 0.00 H new ATOM 0 HD12 LEU A 48 4.363 14.636 -14.591 1.00 0.00 H new ATOM 0 HD13 LEU A 48 4.892 14.862 -12.907 1.00 0.00 H new ATOM 0 HD21 LEU A 48 4.106 12.034 -11.973 1.00 0.00 H new ATOM 0 HD22 LEU A 48 3.726 13.516 -11.063 1.00 0.00 H new ATOM 0 HD23 LEU A 48 2.422 12.395 -11.521 1.00 0.00 H new ATOM 678 N ARG A 49 -0.083 14.334 -10.713 1.00 0.00 N ATOM 679 CA ARG A 49 -0.797 14.884 -9.566 1.00 0.00 C ATOM 680 C ARG A 49 -0.216 14.357 -8.259 1.00 0.00 C ATOM 681 O ARG A 49 0.317 13.249 -8.206 1.00 0.00 O ATOM 682 CB ARG A 49 -2.287 14.541 -9.651 1.00 0.00 C ATOM 683 CG ARG A 49 -2.563 13.127 -10.137 1.00 0.00 C ATOM 684 CD ARG A 49 -4.057 12.857 -10.248 1.00 0.00 C ATOM 685 NE ARG A 49 -4.406 12.229 -11.521 1.00 0.00 N ATOM 686 CZ ARG A 49 -4.536 12.897 -12.666 1.00 0.00 C ATOM 687 NH1 ARG A 49 -4.342 14.210 -12.703 1.00 0.00 N ATOM 688 NH2 ARG A 49 -4.861 12.250 -13.776 1.00 0.00 N ATOM 0 H ARG A 49 0.412 13.462 -10.524 1.00 0.00 H new ATOM 0 HA ARG A 49 -0.680 15.968 -9.584 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -2.737 14.672 -8.667 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -2.776 15.248 -10.322 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -2.092 12.977 -11.108 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -2.113 12.411 -9.450 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -4.371 12.212 -9.427 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -4.604 13.794 -10.144 1.00 0.00 H new ATOM 0 HE ARG A 49 -4.559 11.221 -11.533 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -4.092 14.713 -11.851 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -4.443 14.716 -13.583 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -5.011 11.241 -13.753 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -4.961 12.761 -14.653 1.00 0.00 H new ATOM 702 N ARG A 50 -0.319 15.161 -7.204 1.00 0.00 N ATOM 703 CA ARG A 50 0.197 14.776 -5.896 1.00 0.00 C ATOM 704 C ARG A 50 -0.849 13.998 -5.104 1.00 0.00 C ATOM 705 O ARG A 50 -2.042 14.295 -5.171 1.00 0.00 O ATOM 706 CB ARG A 50 0.628 16.016 -5.111 1.00 0.00 C ATOM 707 CG ARG A 50 2.011 16.523 -5.486 1.00 0.00 C ATOM 708 CD ARG A 50 3.101 15.771 -4.741 1.00 0.00 C ATOM 709 NE ARG A 50 4.371 16.493 -4.754 1.00 0.00 N ATOM 710 CZ ARG A 50 5.547 15.930 -4.482 1.00 0.00 C ATOM 711 NH1 ARG A 50 5.617 14.640 -4.176 1.00 0.00 N ATOM 712 NH2 ARG A 50 6.654 16.658 -4.515 1.00 0.00 N ATOM 0 H ARG A 50 -0.755 16.083 -7.231 1.00 0.00 H new ATOM 0 HA ARG A 50 1.062 14.131 -6.050 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -0.099 16.811 -5.277 1.00 0.00 H new ATOM 0 HB3 ARG A 50 0.611 15.786 -4.046 1.00 0.00 H new ATOM 0 HG2 ARG A 50 2.161 16.413 -6.560 1.00 0.00 H new ATOM 0 HG3 ARG A 50 2.083 17.587 -5.261 1.00 0.00 H new ATOM 0 HD2 ARG A 50 2.788 15.606 -3.710 1.00 0.00 H new ATOM 0 HD3 ARG A 50 3.238 14.789 -5.193 1.00 0.00 H new ATOM 0 HE ARG A 50 4.356 17.486 -4.985 1.00 0.00 H new ATOM 0 HH11 ARG A 50 4.768 14.076 -4.148 1.00 0.00 H new ATOM 0 HH12 ARG A 50 6.520 14.213 -3.968 1.00 0.00 H new ATOM 0 HH21 ARG A 50 6.605 17.650 -4.749 1.00 0.00 H new ATOM 0 HH22 ARG A 50 7.554 16.227 -4.307 1.00 0.00 H new ATOM 726 N GLY A 51 -0.392 13.001 -4.353 1.00 0.00 N ATOM 727 CA GLY A 51 -1.300 12.196 -3.557 1.00 0.00 C ATOM 728 C GLY A 51 -0.646 11.658 -2.299 1.00 0.00 C ATOM 729 O GLY A 51 0.427 12.114 -1.906 1.00 0.00 O ATOM 0 H GLY A 51 0.590 12.736 -4.282 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -2.168 12.796 -3.284 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -1.665 11.363 -4.158 1.00 0.00 H new ATOM 733 N THR A 52 -1.295 10.687 -1.667 1.00 0.00 N ATOM 734 CA THR A 52 -0.770 10.086 -0.446 1.00 0.00 C ATOM 735 C THR A 52 -1.048 8.586 -0.412 1.00 0.00 C ATOM 736 O THR A 52 -2.174 8.149 -0.647 1.00 0.00 O ATOM 737 CB THR A 52 -1.384 10.758 0.782 1.00 0.00 C ATOM 738 OG1 THR A 52 -1.573 12.143 0.554 1.00 0.00 O ATOM 739 CG2 THR A 52 -0.541 10.610 2.031 1.00 0.00 C ATOM 0 H THR A 52 -2.185 10.299 -1.979 1.00 0.00 H new ATOM 0 HA THR A 52 0.310 10.236 -0.433 1.00 0.00 H new ATOM 0 HB THR A 52 -2.335 10.250 0.943 1.00 0.00 H new ATOM 0 HG1 THR A 52 -1.968 12.555 1.351 1.00 0.00 H new ATOM 0 HG21 THR A 52 -1.035 11.110 2.864 1.00 0.00 H new ATOM 0 HG22 THR A 52 -0.418 9.552 2.264 1.00 0.00 H new ATOM 0 HG23 THR A 52 0.437 11.061 1.865 1.00 0.00 H new ATOM 747 N VAL A 53 -0.015 7.804 -0.118 1.00 0.00 N ATOM 748 CA VAL A 53 -0.148 6.354 -0.054 1.00 0.00 C ATOM 749 C VAL A 53 -1.024 5.935 1.123 1.00 0.00 C ATOM 750 O VAL A 53 -0.828 6.390 2.249 1.00 0.00 O ATOM 751 CB VAL A 53 1.227 5.667 0.076 1.00 0.00 C ATOM 752 CG1 VAL A 53 1.081 4.156 -0.018 1.00 0.00 C ATOM 753 CG2 VAL A 53 2.186 6.184 -0.987 1.00 0.00 C ATOM 0 H VAL A 53 0.924 8.150 0.080 1.00 0.00 H new ATOM 0 HA VAL A 53 -0.617 6.038 -0.986 1.00 0.00 H new ATOM 0 HB VAL A 53 1.641 5.909 1.055 1.00 0.00 H new ATOM 0 HG11 VAL A 53 2.061 3.689 0.076 1.00 0.00 H new ATOM 0 HG12 VAL A 53 0.433 3.803 0.784 1.00 0.00 H new ATOM 0 HG13 VAL A 53 0.644 3.892 -0.981 1.00 0.00 H new ATOM 0 HG21 VAL A 53 3.150 5.688 -0.879 1.00 0.00 H new ATOM 0 HG22 VAL A 53 1.779 5.975 -1.976 1.00 0.00 H new ATOM 0 HG23 VAL A 53 2.316 7.260 -0.868 1.00 0.00 H new ATOM 763 N MET A 54 -1.993 5.066 0.851 1.00 0.00 N ATOM 764 CA MET A 54 -2.901 4.584 1.886 1.00 0.00 C ATOM 765 C MET A 54 -2.794 3.071 2.046 1.00 0.00 C ATOM 766 O MET A 54 -2.822 2.551 3.161 1.00 0.00 O ATOM 767 CB MET A 54 -4.342 4.973 1.550 1.00 0.00 C ATOM 768 CG MET A 54 -4.629 6.455 1.725 1.00 0.00 C ATOM 769 SD MET A 54 -6.324 6.891 1.292 1.00 0.00 S ATOM 770 CE MET A 54 -6.367 6.408 -0.433 1.00 0.00 C ATOM 0 H MET A 54 -2.169 4.681 -0.077 1.00 0.00 H new ATOM 0 HA MET A 54 -2.616 5.050 2.829 1.00 0.00 H new ATOM 0 HB2 MET A 54 -4.555 4.690 0.519 1.00 0.00 H new ATOM 0 HB3 MET A 54 -5.021 4.403 2.184 1.00 0.00 H new ATOM 0 HG2 MET A 54 -4.438 6.738 2.760 1.00 0.00 H new ATOM 0 HG3 MET A 54 -3.941 7.030 1.105 1.00 0.00 H new ATOM 0 HE1 MET A 54 -7.337 6.665 -0.859 1.00 0.00 H new ATOM 0 HE2 MET A 54 -5.581 6.932 -0.977 1.00 0.00 H new ATOM 0 HE3 MET A 54 -6.209 5.333 -0.514 1.00 0.00 H new ATOM 780 N TYR A 55 -2.674 2.369 0.924 1.00 0.00 N ATOM 781 CA TYR A 55 -2.564 0.916 0.939 1.00 0.00 C ATOM 782 C TYR A 55 -1.554 0.438 -0.098 1.00 0.00 C ATOM 783 O TYR A 55 -1.456 0.998 -1.189 1.00 0.00 O ATOM 784 CB TYR A 55 -3.928 0.277 0.671 1.00 0.00 C ATOM 785 CG TYR A 55 -3.973 -1.205 0.969 1.00 0.00 C ATOM 786 CD1 TYR A 55 -3.401 -2.124 0.099 1.00 0.00 C ATOM 787 CD2 TYR A 55 -4.586 -1.683 2.120 1.00 0.00 C ATOM 788 CE1 TYR A 55 -3.440 -3.480 0.367 1.00 0.00 C ATOM 789 CE2 TYR A 55 -4.628 -3.037 2.395 1.00 0.00 C ATOM 790 CZ TYR A 55 -4.054 -3.930 1.517 1.00 0.00 C ATOM 791 OH TYR A 55 -4.095 -5.278 1.787 1.00 0.00 O ATOM 0 H TYR A 55 -2.651 2.784 -0.008 1.00 0.00 H new ATOM 0 HA TYR A 55 -2.217 0.613 1.927 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -4.682 0.783 1.274 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -4.196 0.437 -0.373 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -2.918 -1.774 -0.801 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -5.037 -0.986 2.811 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -2.992 -4.183 -0.320 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -5.109 -3.393 3.294 1.00 0.00 H new ATOM 0 HH TYR A 55 -4.562 -5.428 2.636 1.00 0.00 H new ATOM 801 N VAL A 56 -0.804 -0.603 0.250 1.00 0.00 N ATOM 802 CA VAL A 56 0.199 -1.158 -0.649 1.00 0.00 C ATOM 803 C VAL A 56 0.231 -2.680 -0.566 1.00 0.00 C ATOM 804 O VAL A 56 0.373 -3.249 0.516 1.00 0.00 O ATOM 805 CB VAL A 56 1.602 -0.608 -0.331 1.00 0.00 C ATOM 806 CG1 VAL A 56 2.605 -1.052 -1.386 1.00 0.00 C ATOM 807 CG2 VAL A 56 1.569 0.909 -0.221 1.00 0.00 C ATOM 0 H VAL A 56 -0.873 -1.079 1.150 1.00 0.00 H new ATOM 0 HA VAL A 56 -0.081 -0.859 -1.659 1.00 0.00 H new ATOM 0 HB VAL A 56 1.920 -1.013 0.630 1.00 0.00 H new ATOM 0 HG11 VAL A 56 3.590 -0.653 -1.143 1.00 0.00 H new ATOM 0 HG12 VAL A 56 2.650 -2.141 -1.409 1.00 0.00 H new ATOM 0 HG13 VAL A 56 2.294 -0.681 -2.363 1.00 0.00 H new ATOM 0 HG21 VAL A 56 2.569 1.279 0.004 1.00 0.00 H new ATOM 0 HG22 VAL A 56 1.228 1.335 -1.165 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.886 1.201 0.577 1.00 0.00 H new ATOM 817 N GLY A 57 0.097 -3.333 -1.716 1.00 0.00 N ATOM 818 CA GLY A 57 0.113 -4.784 -1.751 1.00 0.00 C ATOM 819 C GLY A 57 -0.650 -5.345 -2.934 1.00 0.00 C ATOM 820 O GLY A 57 -0.736 -4.708 -3.985 1.00 0.00 O ATOM 0 H GLY A 57 -0.022 -2.884 -2.624 1.00 0.00 H new ATOM 0 HA2 GLY A 57 1.145 -5.132 -1.791 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -0.318 -5.171 -0.828 1.00 0.00 H new ATOM 824 N LEU A 58 -1.206 -6.540 -2.764 1.00 0.00 N ATOM 825 CA LEU A 58 -1.966 -7.188 -3.828 1.00 0.00 C ATOM 826 C LEU A 58 -3.466 -7.056 -3.582 1.00 0.00 C ATOM 827 O LEU A 58 -3.927 -7.124 -2.444 1.00 0.00 O ATOM 828 CB LEU A 58 -1.582 -8.665 -3.930 1.00 0.00 C ATOM 829 CG LEU A 58 -0.080 -8.951 -3.842 1.00 0.00 C ATOM 830 CD1 LEU A 58 0.240 -9.766 -2.599 1.00 0.00 C ATOM 831 CD2 LEU A 58 0.401 -9.673 -5.093 1.00 0.00 C ATOM 0 H LEU A 58 -1.145 -7.079 -1.900 1.00 0.00 H new ATOM 0 HA LEU A 58 -1.725 -6.691 -4.768 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -2.088 -9.212 -3.135 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -1.957 -9.058 -4.875 1.00 0.00 H new ATOM 0 HG LEU A 58 0.445 -7.999 -3.771 1.00 0.00 H new ATOM 0 HD11 LEU A 58 1.312 -9.958 -2.556 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -0.065 -9.211 -1.712 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -0.297 -10.714 -2.637 1.00 0.00 H new ATOM 0 HD21 LEU A 58 1.470 -9.868 -5.012 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -0.133 -10.618 -5.196 1.00 0.00 H new ATOM 0 HD23 LEU A 58 0.210 -9.051 -5.968 1.00 0.00 H new ATOM 843 N THR A 59 -4.221 -6.865 -4.659 1.00 0.00 N ATOM 844 CA THR A 59 -5.669 -6.723 -4.562 1.00 0.00 C ATOM 845 C THR A 59 -6.373 -7.996 -5.018 1.00 0.00 C ATOM 846 O THR A 59 -5.726 -8.990 -5.349 1.00 0.00 O ATOM 847 CB THR A 59 -6.143 -5.536 -5.401 1.00 0.00 C ATOM 848 OG1 THR A 59 -5.684 -5.652 -6.736 1.00 0.00 O ATOM 849 CG2 THR A 59 -5.672 -4.199 -4.869 1.00 0.00 C ATOM 0 H THR A 59 -3.854 -6.805 -5.609 1.00 0.00 H new ATOM 0 HA THR A 59 -5.922 -6.545 -3.517 1.00 0.00 H new ATOM 0 HB THR A 59 -7.232 -5.565 -5.352 1.00 0.00 H new ATOM 0 HG1 THR A 59 -5.169 -4.853 -6.975 1.00 0.00 H new ATOM 0 HG21 THR A 59 -6.044 -3.401 -5.511 1.00 0.00 H new ATOM 0 HG22 THR A 59 -6.050 -4.056 -3.857 1.00 0.00 H new ATOM 0 HG23 THR A 59 -4.582 -4.176 -4.856 1.00 0.00 H new ATOM 857 N ASP A 60 -7.702 -7.961 -5.033 1.00 0.00 N ATOM 858 CA ASP A 60 -8.493 -9.113 -5.449 1.00 0.00 C ATOM 859 C ASP A 60 -9.322 -8.796 -6.692 1.00 0.00 C ATOM 860 O ASP A 60 -10.290 -9.494 -6.995 1.00 0.00 O ATOM 861 CB ASP A 60 -9.411 -9.563 -4.312 1.00 0.00 C ATOM 862 CG ASP A 60 -8.765 -10.610 -3.427 1.00 0.00 C ATOM 863 OD1 ASP A 60 -8.753 -11.796 -3.819 1.00 0.00 O ATOM 864 OD2 ASP A 60 -8.271 -10.245 -2.339 1.00 0.00 O ATOM 0 H ASP A 60 -8.253 -7.147 -4.762 1.00 0.00 H new ATOM 0 HA ASP A 60 -7.804 -9.920 -5.696 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -9.685 -8.699 -3.707 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -10.334 -9.965 -4.731 1.00 0.00 H new ATOM 869 N PHE A 61 -8.939 -7.744 -7.411 1.00 0.00 N ATOM 870 CA PHE A 61 -9.654 -7.347 -8.619 1.00 0.00 C ATOM 871 C PHE A 61 -8.732 -7.386 -9.836 1.00 0.00 C ATOM 872 O PHE A 61 -9.155 -7.756 -10.932 1.00 0.00 O ATOM 873 CB PHE A 61 -10.247 -5.945 -8.454 1.00 0.00 C ATOM 874 CG PHE A 61 -9.234 -4.897 -8.092 1.00 0.00 C ATOM 875 CD1 PHE A 61 -8.405 -4.353 -9.059 1.00 0.00 C ATOM 876 CD2 PHE A 61 -9.115 -4.453 -6.785 1.00 0.00 C ATOM 877 CE1 PHE A 61 -7.475 -3.385 -8.729 1.00 0.00 C ATOM 878 CE2 PHE A 61 -8.186 -3.486 -6.449 1.00 0.00 C ATOM 879 CZ PHE A 61 -7.365 -2.952 -7.421 1.00 0.00 C ATOM 0 H PHE A 61 -8.140 -7.153 -7.179 1.00 0.00 H new ATOM 0 HA PHE A 61 -10.466 -8.057 -8.779 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -10.738 -5.657 -9.383 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -11.017 -5.975 -7.683 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -8.486 -4.689 -10.082 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -9.755 -4.867 -6.020 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -6.835 -2.968 -9.492 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -8.103 -3.149 -5.426 1.00 0.00 H new ATOM 0 HZ PHE A 61 -6.638 -2.197 -7.160 1.00 0.00 H new ATOM 889 N LYS A 62 -7.474 -7.008 -9.638 1.00 0.00 N ATOM 890 CA LYS A 62 -6.497 -7.005 -10.721 1.00 0.00 C ATOM 891 C LYS A 62 -5.160 -7.571 -10.247 1.00 0.00 C ATOM 892 O LYS A 62 -4.775 -7.391 -9.092 1.00 0.00 O ATOM 893 CB LYS A 62 -6.302 -5.588 -11.259 1.00 0.00 C ATOM 894 CG LYS A 62 -7.276 -5.219 -12.367 1.00 0.00 C ATOM 895 CD LYS A 62 -7.618 -3.739 -12.339 1.00 0.00 C ATOM 896 CE LYS A 62 -9.045 -3.487 -12.799 1.00 0.00 C ATOM 897 NZ LYS A 62 -9.700 -2.407 -12.012 1.00 0.00 N ATOM 0 H LYS A 62 -7.107 -6.700 -8.738 1.00 0.00 H new ATOM 0 HA LYS A 62 -6.878 -7.639 -11.522 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -6.412 -4.878 -10.439 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -5.283 -5.487 -11.633 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -6.843 -5.475 -13.334 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -8.188 -5.806 -12.261 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -7.487 -3.354 -11.328 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -6.926 -3.193 -12.980 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -9.043 -3.217 -13.855 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -9.624 -4.406 -12.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -10.671 -2.266 -12.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -9.725 -2.676 -11.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -9.163 -1.523 -12.121 1.00 0.00 H new ATOM 911 N PRO A 63 -4.430 -8.265 -11.138 1.00 0.00 N ATOM 912 CA PRO A 63 -3.130 -8.856 -10.805 1.00 0.00 C ATOM 913 C PRO A 63 -2.037 -7.804 -10.655 1.00 0.00 C ATOM 914 O PRO A 63 -2.069 -6.763 -11.312 1.00 0.00 O ATOM 915 CB PRO A 63 -2.839 -9.765 -11.999 1.00 0.00 C ATOM 916 CG PRO A 63 -3.575 -9.142 -13.134 1.00 0.00 C ATOM 917 CD PRO A 63 -4.813 -8.528 -12.539 1.00 0.00 C ATOM 0 HA PRO A 63 -3.152 -9.380 -9.849 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -1.770 -9.821 -12.203 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -3.182 -10.783 -11.815 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -2.964 -8.387 -13.628 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -3.832 -9.886 -13.888 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -5.094 -7.611 -13.057 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -5.666 -9.204 -12.602 1.00 0.00 H new ATOM 925 N GLY A 64 -1.070 -8.081 -9.786 1.00 0.00 N ATOM 926 CA GLY A 64 0.020 -7.149 -9.567 1.00 0.00 C ATOM 927 C GLY A 64 -0.152 -6.344 -8.295 1.00 0.00 C ATOM 928 O GLY A 64 -1.239 -6.306 -7.717 1.00 0.00 O ATOM 0 H GLY A 64 -1.022 -8.935 -9.230 1.00 0.00 H new ATOM 0 HA2 GLY A 64 0.960 -7.699 -9.521 1.00 0.00 H new ATOM 0 HA3 GLY A 64 0.089 -6.470 -10.417 1.00 0.00 H new ATOM 932 N TYR A 65 0.924 -5.698 -7.855 1.00 0.00 N ATOM 933 CA TYR A 65 0.888 -4.889 -6.642 1.00 0.00 C ATOM 934 C TYR A 65 0.226 -3.542 -6.907 1.00 0.00 C ATOM 935 O TYR A 65 0.656 -2.789 -7.781 1.00 0.00 O ATOM 936 CB TYR A 65 2.303 -4.677 -6.103 1.00 0.00 C ATOM 937 CG TYR A 65 2.943 -5.938 -5.565 1.00 0.00 C ATOM 938 CD1 TYR A 65 2.637 -6.408 -4.294 1.00 0.00 C ATOM 939 CD2 TYR A 65 3.853 -6.658 -6.329 1.00 0.00 C ATOM 940 CE1 TYR A 65 3.219 -7.560 -3.800 1.00 0.00 C ATOM 941 CE2 TYR A 65 4.440 -7.810 -5.841 1.00 0.00 C ATOM 942 CZ TYR A 65 4.119 -8.257 -4.577 1.00 0.00 C ATOM 943 OH TYR A 65 4.701 -9.403 -4.088 1.00 0.00 O ATOM 0 H TYR A 65 1.831 -5.719 -8.321 1.00 0.00 H new ATOM 0 HA TYR A 65 0.299 -5.423 -5.896 1.00 0.00 H new ATOM 0 HB2 TYR A 65 2.929 -4.273 -6.899 1.00 0.00 H new ATOM 0 HB3 TYR A 65 2.272 -3.929 -5.311 1.00 0.00 H new ATOM 0 HD1 TYR A 65 1.933 -5.864 -3.682 1.00 0.00 H new ATOM 0 HD2 TYR A 65 4.106 -6.312 -7.320 1.00 0.00 H new ATOM 0 HE1 TYR A 65 2.970 -7.912 -2.810 1.00 0.00 H new ATOM 0 HE2 TYR A 65 5.147 -8.357 -6.447 1.00 0.00 H new ATOM 0 HH TYR A 65 5.310 -9.773 -4.761 1.00 0.00 H new ATOM 953 N TRP A 66 -0.822 -3.242 -6.147 1.00 0.00 N ATOM 954 CA TRP A 66 -1.543 -1.985 -6.300 1.00 0.00 C ATOM 955 C TRP A 66 -1.232 -1.035 -5.148 1.00 0.00 C ATOM 956 O TRP A 66 -0.814 -1.465 -4.072 1.00 0.00 O ATOM 957 CB TRP A 66 -3.050 -2.241 -6.372 1.00 0.00 C ATOM 958 CG TRP A 66 -3.490 -2.823 -7.681 1.00 0.00 C ATOM 959 CD1 TRP A 66 -3.616 -4.147 -7.988 1.00 0.00 C ATOM 960 CD2 TRP A 66 -3.863 -2.100 -8.860 1.00 0.00 C ATOM 961 NE1 TRP A 66 -4.043 -4.292 -9.286 1.00 0.00 N ATOM 962 CE2 TRP A 66 -4.202 -3.050 -9.842 1.00 0.00 C ATOM 963 CE3 TRP A 66 -3.943 -0.742 -9.179 1.00 0.00 C ATOM 964 CZ2 TRP A 66 -4.615 -2.683 -11.120 1.00 0.00 C ATOM 965 CZ3 TRP A 66 -4.353 -0.380 -10.450 1.00 0.00 C ATOM 966 CH2 TRP A 66 -4.685 -1.347 -11.406 1.00 0.00 C ATOM 0 H TRP A 66 -1.191 -3.853 -5.418 1.00 0.00 H new ATOM 0 HA TRP A 66 -1.216 -1.520 -7.230 1.00 0.00 H new ATOM 0 HB2 TRP A 66 -3.335 -2.918 -5.567 1.00 0.00 H new ATOM 0 HB3 TRP A 66 -3.579 -1.303 -6.203 1.00 0.00 H new ATOM 0 HD1 TRP A 66 -3.410 -4.962 -7.310 1.00 0.00 H new ATOM 0 HE1 TRP A 66 -4.214 -5.180 -9.759 1.00 0.00 H new ATOM 0 HE3 TRP A 66 -3.690 0.011 -8.447 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 -4.871 -3.427 -11.860 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 -4.418 0.667 -10.709 1.00 0.00 H new ATOM 0 HH2 TRP A 66 -5.003 -1.032 -12.389 1.00 0.00 H new ATOM 977 N VAL A 67 -1.436 0.258 -5.380 1.00 0.00 N ATOM 978 CA VAL A 67 -1.175 1.268 -4.361 1.00 0.00 C ATOM 979 C VAL A 67 -2.270 2.328 -4.345 1.00 0.00 C ATOM 980 O VAL A 67 -2.426 3.089 -5.301 1.00 0.00 O ATOM 981 CB VAL A 67 0.185 1.953 -4.586 1.00 0.00 C ATOM 982 CG1 VAL A 67 0.529 2.860 -3.416 1.00 0.00 C ATOM 983 CG2 VAL A 67 1.276 0.916 -4.806 1.00 0.00 C ATOM 0 H VAL A 67 -1.781 0.631 -6.265 1.00 0.00 H new ATOM 0 HA VAL A 67 -1.159 0.753 -3.401 1.00 0.00 H new ATOM 0 HB VAL A 67 0.115 2.569 -5.483 1.00 0.00 H new ATOM 0 HG11 VAL A 67 1.494 3.334 -3.595 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -0.239 3.627 -3.312 1.00 0.00 H new ATOM 0 HG13 VAL A 67 0.579 2.270 -2.501 1.00 0.00 H new ATOM 0 HG21 VAL A 67 2.230 1.419 -4.963 1.00 0.00 H new ATOM 0 HG22 VAL A 67 1.346 0.270 -3.931 1.00 0.00 H new ATOM 0 HG23 VAL A 67 1.035 0.314 -5.682 1.00 0.00 H new ATOM 993 N GLY A 68 -3.025 2.376 -3.252 1.00 0.00 N ATOM 994 CA GLY A 68 -4.095 3.349 -3.132 1.00 0.00 C ATOM 995 C GLY A 68 -3.580 4.735 -2.798 1.00 0.00 C ATOM 996 O GLY A 68 -2.927 4.931 -1.773 1.00 0.00 O ATOM 0 H GLY A 68 -2.915 1.759 -2.448 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -4.654 3.388 -4.067 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -4.791 3.026 -2.358 1.00 0.00 H new ATOM 1000 N VAL A 69 -3.873 5.698 -3.666 1.00 0.00 N ATOM 1001 CA VAL A 69 -3.434 7.073 -3.458 1.00 0.00 C ATOM 1002 C VAL A 69 -4.619 8.030 -3.423 1.00 0.00 C ATOM 1003 O VAL A 69 -5.475 8.008 -4.307 1.00 0.00 O ATOM 1004 CB VAL A 69 -2.458 7.523 -4.563 1.00 0.00 C ATOM 1005 CG1 VAL A 69 -1.856 8.878 -4.225 1.00 0.00 C ATOM 1006 CG2 VAL A 69 -1.368 6.483 -4.768 1.00 0.00 C ATOM 0 H VAL A 69 -4.412 5.552 -4.519 1.00 0.00 H new ATOM 0 HA VAL A 69 -2.922 7.099 -2.496 1.00 0.00 H new ATOM 0 HB VAL A 69 -3.014 7.621 -5.495 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -1.170 9.179 -5.017 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -2.652 9.617 -4.134 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -1.314 8.810 -3.282 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -0.688 6.818 -5.552 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -0.813 6.349 -3.839 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -1.820 5.535 -5.060 1.00 0.00 H new ATOM 1016 N ARG A 70 -4.662 8.872 -2.395 1.00 0.00 N ATOM 1017 CA ARG A 70 -5.743 9.840 -2.244 1.00 0.00 C ATOM 1018 C ARG A 70 -5.302 11.224 -2.706 1.00 0.00 C ATOM 1019 O ARG A 70 -4.155 11.621 -2.500 1.00 0.00 O ATOM 1020 CB ARG A 70 -6.203 9.898 -0.786 1.00 0.00 C ATOM 1021 CG ARG A 70 -7.372 10.843 -0.553 1.00 0.00 C ATOM 1022 CD ARG A 70 -7.136 11.738 0.653 1.00 0.00 C ATOM 1023 NE ARG A 70 -6.207 12.825 0.354 1.00 0.00 N ATOM 1024 CZ ARG A 70 -6.095 13.928 1.090 1.00 0.00 C ATOM 1025 NH1 ARG A 70 -6.851 14.096 2.167 1.00 0.00 N ATOM 1026 NH2 ARG A 70 -5.224 14.868 0.747 1.00 0.00 N ATOM 0 H ARG A 70 -3.961 8.904 -1.655 1.00 0.00 H new ATOM 0 HA ARG A 70 -6.576 9.517 -2.868 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -6.487 8.896 -0.463 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -5.365 10.209 -0.162 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -7.525 11.459 -1.439 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -8.284 10.265 -0.405 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -8.086 12.155 0.987 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -6.743 11.141 1.476 1.00 0.00 H new ATOM 0 HE ARG A 70 -5.609 12.733 -0.467 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -7.523 13.377 2.435 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -6.760 14.944 2.727 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -4.641 14.745 -0.081 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -5.138 15.714 1.311 1.00 0.00 H new ATOM 1040 N TYR A 71 -6.218 11.954 -3.333 1.00 0.00 N ATOM 1041 CA TYR A 71 -5.923 13.296 -3.825 1.00 0.00 C ATOM 1042 C TYR A 71 -6.745 14.342 -3.082 1.00 0.00 C ATOM 1043 O TYR A 71 -7.804 14.039 -2.532 1.00 0.00 O ATOM 1044 CB TYR A 71 -6.201 13.382 -5.327 1.00 0.00 C ATOM 1045 CG TYR A 71 -5.592 12.249 -6.123 1.00 0.00 C ATOM 1046 CD1 TYR A 71 -4.256 12.282 -6.502 1.00 0.00 C ATOM 1047 CD2 TYR A 71 -6.353 11.148 -6.494 1.00 0.00 C ATOM 1048 CE1 TYR A 71 -3.695 11.249 -7.230 1.00 0.00 C ATOM 1049 CE2 TYR A 71 -5.800 10.111 -7.221 1.00 0.00 C ATOM 1050 CZ TYR A 71 -4.472 10.166 -7.586 1.00 0.00 C ATOM 1051 OH TYR A 71 -3.918 9.136 -8.310 1.00 0.00 O ATOM 0 H TYR A 71 -7.171 11.639 -3.513 1.00 0.00 H new ATOM 0 HA TYR A 71 -4.867 13.498 -3.645 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -7.279 13.389 -5.488 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -5.815 14.329 -5.705 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -3.646 13.128 -6.223 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -7.394 11.102 -6.210 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -2.655 11.290 -7.518 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -6.405 9.262 -7.502 1.00 0.00 H new ATOM 0 HH TYR A 71 -4.598 8.451 -8.478 1.00 0.00 H new ATOM 1061 N ASP A 72 -6.252 15.577 -3.070 1.00 0.00 N ATOM 1062 CA ASP A 72 -6.942 16.670 -2.396 1.00 0.00 C ATOM 1063 C ASP A 72 -8.241 17.019 -3.113 1.00 0.00 C ATOM 1064 O ASP A 72 -9.306 17.081 -2.496 1.00 0.00 O ATOM 1065 CB ASP A 72 -6.040 17.903 -2.322 1.00 0.00 C ATOM 1066 CG ASP A 72 -6.397 18.813 -1.163 1.00 0.00 C ATOM 1067 OD1 ASP A 72 -7.605 19.007 -0.910 1.00 0.00 O ATOM 1068 OD2 ASP A 72 -5.469 19.332 -0.507 1.00 0.00 O ATOM 0 H ASP A 72 -5.377 15.845 -3.520 1.00 0.00 H new ATOM 0 HA ASP A 72 -7.183 16.344 -1.384 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -5.002 17.585 -2.224 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -6.115 18.461 -3.255 1.00 0.00 H new ATOM 1073 N GLU A 73 -8.148 17.244 -4.419 1.00 0.00 N ATOM 1074 CA GLU A 73 -9.316 17.586 -5.222 1.00 0.00 C ATOM 1075 C GLU A 73 -9.918 16.338 -5.864 1.00 0.00 C ATOM 1076 O GLU A 73 -9.275 15.290 -5.923 1.00 0.00 O ATOM 1077 CB GLU A 73 -8.939 18.599 -6.304 1.00 0.00 C ATOM 1078 CG GLU A 73 -8.697 20.000 -5.768 1.00 0.00 C ATOM 1079 CD GLU A 73 -8.092 20.925 -6.806 1.00 0.00 C ATOM 1080 OE1 GLU A 73 -7.307 20.439 -7.648 1.00 0.00 O ATOM 1081 OE2 GLU A 73 -8.405 22.134 -6.778 1.00 0.00 O ATOM 0 H GLU A 73 -7.275 17.196 -4.944 1.00 0.00 H new ATOM 0 HA GLU A 73 -10.062 18.031 -4.563 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -8.040 18.254 -6.815 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -9.735 18.636 -7.048 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -9.641 20.419 -5.419 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -8.034 19.945 -4.905 1.00 0.00 H new ATOM 1088 N PRO A 74 -11.168 16.434 -6.352 1.00 0.00 N ATOM 1089 CA PRO A 74 -11.856 15.306 -6.991 1.00 0.00 C ATOM 1090 C PRO A 74 -11.082 14.753 -8.183 1.00 0.00 C ATOM 1091 O PRO A 74 -11.357 15.103 -9.331 1.00 0.00 O ATOM 1092 CB PRO A 74 -13.188 15.909 -7.452 1.00 0.00 C ATOM 1093 CG PRO A 74 -13.382 17.113 -6.596 1.00 0.00 C ATOM 1094 CD PRO A 74 -12.006 17.644 -6.318 1.00 0.00 C ATOM 0 HA PRO A 74 -11.969 14.463 -6.309 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -13.156 16.176 -8.508 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -14.006 15.200 -7.328 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -13.994 17.859 -7.103 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -13.896 16.856 -5.670 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -11.695 18.371 -7.068 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -11.954 18.143 -5.350 1.00 0.00 H new ATOM 1102 N LEU A 75 -10.112 13.889 -7.903 1.00 0.00 N ATOM 1103 CA LEU A 75 -9.295 13.288 -8.953 1.00 0.00 C ATOM 1104 C LEU A 75 -9.471 11.772 -8.985 1.00 0.00 C ATOM 1105 O LEU A 75 -9.366 11.149 -10.041 1.00 0.00 O ATOM 1106 CB LEU A 75 -7.821 13.638 -8.742 1.00 0.00 C ATOM 1107 CG LEU A 75 -7.504 15.134 -8.748 1.00 0.00 C ATOM 1108 CD1 LEU A 75 -6.069 15.377 -8.308 1.00 0.00 C ATOM 1109 CD2 LEU A 75 -7.747 15.723 -10.129 1.00 0.00 C ATOM 0 H LEU A 75 -9.872 13.589 -6.958 1.00 0.00 H new ATOM 0 HA LEU A 75 -9.625 13.692 -9.910 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -7.496 13.217 -7.791 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -7.233 13.154 -9.522 1.00 0.00 H new ATOM 0 HG LEU A 75 -8.168 15.630 -8.040 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -5.861 16.447 -8.318 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -5.927 14.990 -7.299 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -5.388 14.869 -8.991 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -7.517 16.788 -10.116 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -7.107 15.222 -10.856 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -8.791 15.581 -10.406 1.00 0.00 H new ATOM 1121 N GLY A 76 -9.737 11.184 -7.822 1.00 0.00 N ATOM 1122 CA GLY A 76 -9.922 9.746 -7.743 1.00 0.00 C ATOM 1123 C GLY A 76 -10.995 9.241 -8.688 1.00 0.00 C ATOM 1124 O GLY A 76 -11.598 10.020 -9.426 1.00 0.00 O ATOM 0 H GLY A 76 -9.828 11.677 -6.934 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -8.979 9.249 -7.972 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -10.186 9.473 -6.721 1.00 0.00 H new ATOM 1128 N LYS A 77 -11.230 7.934 -8.667 1.00 0.00 N ATOM 1129 CA LYS A 77 -12.236 7.324 -9.529 1.00 0.00 C ATOM 1130 C LYS A 77 -13.212 6.481 -8.716 1.00 0.00 C ATOM 1131 O LYS A 77 -14.426 6.557 -8.911 1.00 0.00 O ATOM 1132 CB LYS A 77 -11.564 6.460 -10.597 1.00 0.00 C ATOM 1133 CG LYS A 77 -10.652 7.243 -11.528 1.00 0.00 C ATOM 1134 CD LYS A 77 -11.326 7.529 -12.860 1.00 0.00 C ATOM 1135 CE LYS A 77 -10.587 8.605 -13.642 1.00 0.00 C ATOM 1136 NZ LYS A 77 -11.409 9.835 -13.806 1.00 0.00 N ATOM 0 H LYS A 77 -10.738 7.276 -8.063 1.00 0.00 H new ATOM 0 HA LYS A 77 -12.795 8.123 -10.016 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -10.984 5.677 -10.107 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -12.334 5.964 -11.188 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -10.367 8.183 -11.054 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -9.734 6.680 -11.697 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -11.369 6.614 -13.451 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -12.355 7.846 -12.687 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -9.659 8.855 -13.128 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -10.314 8.217 -14.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -10.870 10.544 -14.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -12.283 9.602 -14.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -11.649 10.220 -12.870 1.00 0.00 H new ATOM 1150 N ASN A 78 -12.676 5.677 -7.804 1.00 0.00 N ATOM 1151 CA ASN A 78 -13.500 4.819 -6.962 1.00 0.00 C ATOM 1152 C ASN A 78 -13.660 5.416 -5.567 1.00 0.00 C ATOM 1153 O ASN A 78 -13.174 6.512 -5.290 1.00 0.00 O ATOM 1154 CB ASN A 78 -12.883 3.423 -6.863 1.00 0.00 C ATOM 1155 CG ASN A 78 -12.756 2.751 -8.216 1.00 0.00 C ATOM 1156 OD1 ASN A 78 -13.647 2.852 -9.059 1.00 0.00 O ATOM 1157 ND2 ASN A 78 -11.643 2.058 -8.430 1.00 0.00 N ATOM 0 H ASN A 78 -11.674 5.602 -7.629 1.00 0.00 H new ATOM 0 HA ASN A 78 -14.486 4.742 -7.420 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -11.898 3.496 -6.402 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -13.496 2.803 -6.208 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -11.501 1.583 -9.322 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -10.930 2.001 -7.703 1.00 0.00 H new ATOM 1164 N ASP A 79 -14.346 4.687 -4.692 1.00 0.00 N ATOM 1165 CA ASP A 79 -14.569 5.145 -3.325 1.00 0.00 C ATOM 1166 C ASP A 79 -13.535 4.550 -2.376 1.00 0.00 C ATOM 1167 O ASP A 79 -13.106 5.200 -1.422 1.00 0.00 O ATOM 1168 CB ASP A 79 -15.978 4.768 -2.864 1.00 0.00 C ATOM 1169 CG ASP A 79 -16.394 5.511 -1.608 1.00 0.00 C ATOM 1170 OD1 ASP A 79 -16.057 6.707 -1.488 1.00 0.00 O ATOM 1171 OD2 ASP A 79 -17.056 4.894 -0.746 1.00 0.00 O ATOM 0 H ASP A 79 -14.757 3.778 -4.905 1.00 0.00 H new ATOM 0 HA ASP A 79 -14.466 6.230 -3.310 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -16.688 4.983 -3.662 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -16.022 3.695 -2.679 1.00 0.00 H new ATOM 1176 N GLY A 80 -13.138 3.310 -2.643 1.00 0.00 N ATOM 1177 CA GLY A 80 -12.157 2.649 -1.802 1.00 0.00 C ATOM 1178 C GLY A 80 -12.276 1.138 -1.850 1.00 0.00 C ATOM 1179 O GLY A 80 -11.293 0.440 -2.101 1.00 0.00 O ATOM 0 H GLY A 80 -13.478 2.751 -3.426 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -11.156 2.942 -2.118 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -12.278 2.987 -0.773 1.00 0.00 H new ATOM 1183 N SER A 81 -13.481 0.633 -1.608 1.00 0.00 N ATOM 1184 CA SER A 81 -13.724 -0.805 -1.625 1.00 0.00 C ATOM 1185 C SER A 81 -13.876 -1.316 -3.053 1.00 0.00 C ATOM 1186 O SER A 81 -14.661 -0.778 -3.835 1.00 0.00 O ATOM 1187 CB SER A 81 -14.976 -1.141 -0.814 1.00 0.00 C ATOM 1188 OG SER A 81 -15.360 -2.491 -1.005 1.00 0.00 O ATOM 0 H SER A 81 -14.304 1.198 -1.398 1.00 0.00 H new ATOM 0 HA SER A 81 -12.863 -1.298 -1.173 1.00 0.00 H new ATOM 0 HB2 SER A 81 -14.787 -0.960 0.244 1.00 0.00 H new ATOM 0 HB3 SER A 81 -15.792 -0.482 -1.110 1.00 0.00 H new ATOM 0 HG SER A 81 -16.162 -2.681 -0.475 1.00 0.00 H new ATOM 1194 N VAL A 82 -13.123 -2.359 -3.387 1.00 0.00 N ATOM 1195 CA VAL A 82 -13.176 -2.943 -4.721 1.00 0.00 C ATOM 1196 C VAL A 82 -13.476 -4.437 -4.653 1.00 0.00 C ATOM 1197 O VAL A 82 -12.746 -5.198 -4.017 1.00 0.00 O ATOM 1198 CB VAL A 82 -11.853 -2.733 -5.481 1.00 0.00 C ATOM 1199 CG1 VAL A 82 -11.998 -3.160 -6.934 1.00 0.00 C ATOM 1200 CG2 VAL A 82 -11.408 -1.281 -5.387 1.00 0.00 C ATOM 0 H VAL A 82 -12.469 -2.817 -2.752 1.00 0.00 H new ATOM 0 HA VAL A 82 -13.978 -2.435 -5.257 1.00 0.00 H new ATOM 0 HB VAL A 82 -11.087 -3.355 -5.018 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -11.053 -3.004 -7.455 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -12.267 -4.215 -6.978 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -12.778 -2.567 -7.412 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -10.472 -1.152 -5.930 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -12.172 -0.637 -5.823 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -11.261 -1.012 -4.341 1.00 0.00 H new ATOM 1210 N ASN A 83 -14.553 -4.850 -5.311 1.00 0.00 N ATOM 1211 CA ASN A 83 -14.949 -6.254 -5.325 1.00 0.00 C ATOM 1212 C ASN A 83 -15.253 -6.745 -3.914 1.00 0.00 C ATOM 1213 O ASN A 83 -15.035 -7.912 -3.591 1.00 0.00 O ATOM 1214 CB ASN A 83 -13.847 -7.111 -5.950 1.00 0.00 C ATOM 1215 CG ASN A 83 -14.000 -7.242 -7.453 1.00 0.00 C ATOM 1216 OD1 ASN A 83 -14.361 -6.146 -8.110 1.00 0.00 O flip ATOM 1217 ND2 ASN A 83 -13.793 -8.316 -8.017 1.00 0.00 N flip ATOM 0 H ASN A 83 -15.168 -4.233 -5.842 1.00 0.00 H new ATOM 0 HA ASN A 83 -15.854 -6.345 -5.926 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -12.876 -6.671 -5.723 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -13.861 -8.103 -5.498 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -13.517 -9.133 -7.472 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -13.897 -8.389 -9.029 1.00 0.00 H new ATOM 1224 N GLY A 84 -15.758 -5.844 -3.077 1.00 0.00 N ATOM 1225 CA GLY A 84 -16.084 -6.203 -1.709 1.00 0.00 C ATOM 1226 C GLY A 84 -14.860 -6.249 -0.815 1.00 0.00 C ATOM 1227 O GLY A 84 -14.830 -6.988 0.169 1.00 0.00 O ATOM 0 H GLY A 84 -15.947 -4.872 -3.322 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -16.797 -5.483 -1.307 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -16.575 -7.176 -1.699 1.00 0.00 H new ATOM 1231 N LYS A 85 -13.848 -5.459 -1.158 1.00 0.00 N ATOM 1232 CA LYS A 85 -12.616 -5.413 -0.379 1.00 0.00 C ATOM 1233 C LYS A 85 -12.186 -3.972 -0.124 1.00 0.00 C ATOM 1234 O LYS A 85 -11.801 -3.256 -1.047 1.00 0.00 O ATOM 1235 CB LYS A 85 -11.501 -6.169 -1.104 1.00 0.00 C ATOM 1236 CG LYS A 85 -10.462 -6.764 -0.168 1.00 0.00 C ATOM 1237 CD LYS A 85 -9.193 -7.143 -0.913 1.00 0.00 C ATOM 1238 CE LYS A 85 -8.331 -8.095 -0.098 1.00 0.00 C ATOM 1239 NZ LYS A 85 -6.879 -7.809 -0.261 1.00 0.00 N ATOM 0 H LYS A 85 -13.857 -4.842 -1.970 1.00 0.00 H new ATOM 0 HA LYS A 85 -12.806 -5.892 0.582 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -11.943 -6.969 -1.699 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -11.006 -5.491 -1.799 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -10.224 -6.046 0.617 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -10.875 -7.646 0.322 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -9.453 -7.609 -1.863 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -8.624 -6.243 -1.145 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -8.600 -8.017 0.955 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -8.535 -9.121 -0.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -6.327 -8.480 0.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -6.616 -7.909 -1.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -6.679 -6.838 0.055 1.00 0.00 H new ATOM 1253 N ARG A 86 -12.252 -3.555 1.136 1.00 0.00 N ATOM 1254 CA ARG A 86 -11.869 -2.200 1.514 1.00 0.00 C ATOM 1255 C ARG A 86 -10.357 -2.091 1.682 1.00 0.00 C ATOM 1256 O ARG A 86 -9.690 -3.062 2.040 1.00 0.00 O ATOM 1257 CB ARG A 86 -12.568 -1.792 2.812 1.00 0.00 C ATOM 1258 CG ARG A 86 -12.801 -0.294 2.930 1.00 0.00 C ATOM 1259 CD ARG A 86 -12.057 0.297 4.118 1.00 0.00 C ATOM 1260 NE ARG A 86 -12.338 -0.428 5.355 1.00 0.00 N ATOM 1261 CZ ARG A 86 -11.904 -0.044 6.554 1.00 0.00 C ATOM 1262 NH1 ARG A 86 -11.171 1.054 6.682 1.00 0.00 N ATOM 1263 NH2 ARG A 86 -12.204 -0.762 7.628 1.00 0.00 N ATOM 0 H ARG A 86 -12.567 -4.136 1.913 1.00 0.00 H new ATOM 0 HA ARG A 86 -12.179 -1.525 0.716 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -13.526 -2.307 2.877 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -11.969 -2.126 3.659 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -12.475 0.199 2.014 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -13.868 -0.098 3.034 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -10.985 0.277 3.921 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -12.339 1.343 4.239 1.00 0.00 H new ATOM 0 HE ARG A 86 -12.899 -1.278 5.297 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -10.937 1.610 5.859 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -10.842 1.343 7.603 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -12.767 -1.608 7.535 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -11.872 -0.469 8.547 1.00 0.00 H new ATOM 1277 N TYR A 87 -9.821 -0.903 1.420 1.00 0.00 N ATOM 1278 CA TYR A 87 -8.387 -0.666 1.542 1.00 0.00 C ATOM 1279 C TYR A 87 -8.110 0.566 2.396 1.00 0.00 C ATOM 1280 O TYR A 87 -7.252 0.543 3.278 1.00 0.00 O ATOM 1281 CB TYR A 87 -7.758 -0.494 0.159 1.00 0.00 C ATOM 1282 CG TYR A 87 -7.879 -1.719 -0.720 1.00 0.00 C ATOM 1283 CD1 TYR A 87 -9.008 -1.927 -1.503 1.00 0.00 C ATOM 1284 CD2 TYR A 87 -6.864 -2.667 -0.765 1.00 0.00 C ATOM 1285 CE1 TYR A 87 -9.122 -3.045 -2.306 1.00 0.00 C ATOM 1286 CE2 TYR A 87 -6.971 -3.789 -1.566 1.00 0.00 C ATOM 1287 CZ TYR A 87 -8.102 -3.973 -2.335 1.00 0.00 C ATOM 1288 OH TYR A 87 -8.212 -5.087 -3.134 1.00 0.00 O ATOM 0 H TYR A 87 -10.359 -0.089 1.122 1.00 0.00 H new ATOM 0 HA TYR A 87 -7.941 -1.532 2.031 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -8.230 0.351 -0.343 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -6.703 -0.245 0.277 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -9.809 -1.203 -1.483 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -5.977 -2.525 -0.165 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -10.006 -3.192 -2.909 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -6.174 -4.517 -1.590 1.00 0.00 H new ATOM 0 HH TYR A 87 -8.759 -4.874 -3.919 1.00 0.00 H new ATOM 1298 N PHE A 88 -8.842 1.642 2.127 1.00 0.00 N ATOM 1299 CA PHE A 88 -8.676 2.886 2.870 1.00 0.00 C ATOM 1300 C PHE A 88 -10.028 3.512 3.191 1.00 0.00 C ATOM 1301 O PHE A 88 -11.076 2.947 2.876 1.00 0.00 O ATOM 1302 CB PHE A 88 -7.822 3.871 2.069 1.00 0.00 C ATOM 1303 CG PHE A 88 -8.365 4.155 0.697 1.00 0.00 C ATOM 1304 CD1 PHE A 88 -9.416 5.041 0.524 1.00 0.00 C ATOM 1305 CD2 PHE A 88 -7.823 3.537 -0.419 1.00 0.00 C ATOM 1306 CE1 PHE A 88 -9.918 5.304 -0.737 1.00 0.00 C ATOM 1307 CE2 PHE A 88 -8.320 3.796 -1.682 1.00 0.00 C ATOM 1308 CZ PHE A 88 -9.368 4.681 -1.841 1.00 0.00 C ATOM 0 H PHE A 88 -9.556 1.678 1.400 1.00 0.00 H new ATOM 0 HA PHE A 88 -8.171 2.656 3.808 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -7.746 4.807 2.622 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -6.812 3.472 1.976 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -9.848 5.532 1.384 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -7.003 2.845 -0.300 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -10.739 5.995 -0.859 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -7.890 3.307 -2.543 1.00 0.00 H new ATOM 0 HZ PHE A 88 -9.757 4.886 -2.827 1.00 0.00 H new ATOM 1318 N GLU A 89 -10.000 4.683 3.819 1.00 0.00 N ATOM 1319 CA GLU A 89 -11.225 5.386 4.182 1.00 0.00 C ATOM 1320 C GLU A 89 -11.262 6.773 3.548 1.00 0.00 C ATOM 1321 O GLU A 89 -10.593 7.697 4.012 1.00 0.00 O ATOM 1322 CB GLU A 89 -11.342 5.499 5.704 1.00 0.00 C ATOM 1323 CG GLU A 89 -12.537 4.755 6.278 1.00 0.00 C ATOM 1324 CD GLU A 89 -12.467 4.614 7.786 1.00 0.00 C ATOM 1325 OE1 GLU A 89 -11.812 3.664 8.264 1.00 0.00 O ATOM 1326 OE2 GLU A 89 -13.068 5.455 8.488 1.00 0.00 O ATOM 0 H GLU A 89 -9.142 5.165 4.087 1.00 0.00 H new ATOM 0 HA GLU A 89 -12.071 4.812 3.804 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -10.430 5.113 6.160 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -11.414 6.552 5.978 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -13.452 5.282 6.008 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -12.595 3.765 5.827 1.00 0.00 H new ATOM 1333 N CYS A 90 -12.048 6.911 2.486 1.00 0.00 N ATOM 1334 CA CYS A 90 -12.173 8.185 1.787 1.00 0.00 C ATOM 1335 C CYS A 90 -13.456 8.229 0.963 1.00 0.00 C ATOM 1336 O CYS A 90 -14.094 7.201 0.735 1.00 0.00 O ATOM 1337 CB CYS A 90 -10.963 8.414 0.879 1.00 0.00 C ATOM 1338 SG CYS A 90 -9.559 9.198 1.706 1.00 0.00 S ATOM 0 H CYS A 90 -12.608 6.156 2.090 1.00 0.00 H new ATOM 0 HA CYS A 90 -12.213 8.978 2.534 1.00 0.00 H new ATOM 0 HB2 CYS A 90 -10.642 7.456 0.471 1.00 0.00 H new ATOM 0 HB3 CYS A 90 -11.267 9.034 0.036 1.00 0.00 H new ATOM 0 HG CYS A 90 -9.516 8.813 2.947 1.00 0.00 H new ATOM 1344 N GLN A 91 -13.829 9.425 0.521 1.00 0.00 N ATOM 1345 CA GLN A 91 -15.037 9.602 -0.276 1.00 0.00 C ATOM 1346 C GLN A 91 -14.813 9.141 -1.713 1.00 0.00 C ATOM 1347 O GLN A 91 -13.727 8.679 -2.065 1.00 0.00 O ATOM 1348 CB GLN A 91 -15.473 11.069 -0.261 1.00 0.00 C ATOM 1349 CG GLN A 91 -16.367 11.424 0.916 1.00 0.00 C ATOM 1350 CD GLN A 91 -17.705 11.992 0.485 1.00 0.00 C ATOM 1351 OE1 GLN A 91 -17.766 12.990 -0.233 1.00 0.00 O ATOM 1352 NE2 GLN A 91 -18.786 11.357 0.923 1.00 0.00 N ATOM 0 H GLN A 91 -13.312 10.286 0.701 1.00 0.00 H new ATOM 0 HA GLN A 91 -15.825 8.991 0.164 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -14.587 11.703 -0.238 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -16.001 11.292 -1.188 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -16.533 10.533 1.522 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -15.856 12.149 1.549 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -18.688 10.533 1.516 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -19.714 11.693 0.666 1.00 0.00 H new ATOM 1361 N ALA A 92 -15.846 9.272 -2.538 1.00 0.00 N ATOM 1362 CA ALA A 92 -15.762 8.868 -3.937 1.00 0.00 C ATOM 1363 C ALA A 92 -15.082 9.943 -4.779 1.00 0.00 C ATOM 1364 O ALA A 92 -15.068 11.117 -4.411 1.00 0.00 O ATOM 1365 CB ALA A 92 -17.149 8.567 -4.484 1.00 0.00 C ATOM 0 H ALA A 92 -16.751 9.654 -2.263 1.00 0.00 H new ATOM 0 HA ALA A 92 -15.157 7.963 -3.992 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -17.071 8.267 -5.529 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -17.600 7.760 -3.907 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -17.771 9.459 -4.408 1.00 0.00 H new ATOM 1371 N LYS A 93 -14.518 9.532 -5.909 1.00 0.00 N ATOM 1372 CA LYS A 93 -13.835 10.460 -6.803 1.00 0.00 C ATOM 1373 C LYS A 93 -12.673 11.147 -6.092 1.00 0.00 C ATOM 1374 O LYS A 93 -12.331 12.288 -6.402 1.00 0.00 O ATOM 1375 CB LYS A 93 -14.816 11.507 -7.331 1.00 0.00 C ATOM 1376 CG LYS A 93 -15.721 10.990 -8.438 1.00 0.00 C ATOM 1377 CD LYS A 93 -16.792 12.005 -8.803 1.00 0.00 C ATOM 1378 CE LYS A 93 -17.902 12.040 -7.765 1.00 0.00 C ATOM 1379 NZ LYS A 93 -18.641 13.333 -7.784 1.00 0.00 N ATOM 0 H LYS A 93 -14.520 8.563 -6.228 1.00 0.00 H new ATOM 0 HA LYS A 93 -13.437 9.890 -7.642 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -15.433 11.864 -6.506 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -14.254 12.364 -7.703 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -15.123 10.758 -9.319 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -16.193 10.061 -8.119 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -16.343 12.994 -8.891 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -17.212 11.758 -9.778 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -18.598 11.222 -7.950 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -17.477 11.879 -6.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -19.389 13.316 -7.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -17.982 14.112 -7.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -19.068 13.475 -8.722 1.00 0.00 H new ATOM 1393 N TYR A 94 -12.070 10.445 -5.138 1.00 0.00 N ATOM 1394 CA TYR A 94 -10.948 10.988 -4.383 1.00 0.00 C ATOM 1395 C TYR A 94 -9.859 9.936 -4.192 1.00 0.00 C ATOM 1396 O TYR A 94 -8.683 10.192 -4.443 1.00 0.00 O ATOM 1397 CB TYR A 94 -11.421 11.502 -3.023 1.00 0.00 C ATOM 1398 CG TYR A 94 -11.995 12.901 -3.069 1.00 0.00 C ATOM 1399 CD1 TYR A 94 -11.177 13.999 -3.305 1.00 0.00 C ATOM 1400 CD2 TYR A 94 -13.353 13.122 -2.880 1.00 0.00 C ATOM 1401 CE1 TYR A 94 -11.697 15.279 -3.349 1.00 0.00 C ATOM 1402 CE2 TYR A 94 -13.880 14.399 -2.923 1.00 0.00 C ATOM 1403 CZ TYR A 94 -13.049 15.473 -3.157 1.00 0.00 C ATOM 1404 OH TYR A 94 -13.570 16.746 -3.202 1.00 0.00 O ATOM 0 H TYR A 94 -12.340 9.499 -4.870 1.00 0.00 H new ATOM 0 HA TYR A 94 -10.529 11.819 -4.951 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -12.176 10.821 -2.630 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -10.583 11.485 -2.326 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -10.118 13.850 -3.456 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -14.008 12.283 -2.697 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -11.048 16.123 -3.533 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -14.938 14.554 -2.774 1.00 0.00 H new ATOM 0 HH TYR A 94 -14.537 16.709 -3.048 1.00 0.00 H new ATOM 1414 N GLY A 95 -10.262 8.750 -3.745 1.00 0.00 N ATOM 1415 CA GLY A 95 -9.309 7.677 -3.529 1.00 0.00 C ATOM 1416 C GLY A 95 -9.270 6.694 -4.682 1.00 0.00 C ATOM 1417 O GLY A 95 -10.160 5.855 -4.822 1.00 0.00 O ATOM 0 H GLY A 95 -11.230 8.514 -3.529 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -8.316 8.102 -3.384 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -9.566 7.146 -2.612 1.00 0.00 H new ATOM 1421 N ALA A 96 -8.236 6.798 -5.511 1.00 0.00 N ATOM 1422 CA ALA A 96 -8.084 5.912 -6.658 1.00 0.00 C ATOM 1423 C ALA A 96 -7.075 4.805 -6.365 1.00 0.00 C ATOM 1424 O ALA A 96 -6.509 4.742 -5.275 1.00 0.00 O ATOM 1425 CB ALA A 96 -7.660 6.705 -7.885 1.00 0.00 C ATOM 0 H ALA A 96 -7.491 7.487 -5.409 1.00 0.00 H new ATOM 0 HA ALA A 96 -9.049 5.446 -6.857 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -7.550 6.030 -8.734 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -8.417 7.455 -8.113 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -6.708 7.198 -7.688 1.00 0.00 H new ATOM 1431 N PHE A 97 -6.858 3.936 -7.347 1.00 0.00 N ATOM 1432 CA PHE A 97 -5.918 2.831 -7.193 1.00 0.00 C ATOM 1433 C PHE A 97 -4.944 2.778 -8.366 1.00 0.00 C ATOM 1434 O PHE A 97 -5.287 2.300 -9.448 1.00 0.00 O ATOM 1435 CB PHE A 97 -6.671 1.505 -7.079 1.00 0.00 C ATOM 1436 CG PHE A 97 -7.308 1.290 -5.735 1.00 0.00 C ATOM 1437 CD1 PHE A 97 -6.536 1.267 -4.584 1.00 0.00 C ATOM 1438 CD2 PHE A 97 -8.677 1.111 -5.624 1.00 0.00 C ATOM 1439 CE1 PHE A 97 -7.119 1.070 -3.347 1.00 0.00 C ATOM 1440 CE2 PHE A 97 -9.266 0.914 -4.389 1.00 0.00 C ATOM 1441 CZ PHE A 97 -8.486 0.894 -3.250 1.00 0.00 C ATOM 0 H PHE A 97 -7.319 3.975 -8.256 1.00 0.00 H new ATOM 0 HA PHE A 97 -5.348 2.996 -6.279 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -7.443 1.467 -7.848 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -5.981 0.686 -7.280 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -5.467 1.405 -4.655 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -9.291 1.126 -6.512 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -6.507 1.054 -2.457 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -10.335 0.776 -4.315 1.00 0.00 H new ATOM 0 HZ PHE A 97 -8.944 0.741 -2.284 1.00 0.00 H new ATOM 1451 N VAL A 98 -3.730 3.269 -8.145 1.00 0.00 N ATOM 1452 CA VAL A 98 -2.707 3.277 -9.183 1.00 0.00 C ATOM 1453 C VAL A 98 -1.665 2.192 -8.935 1.00 0.00 C ATOM 1454 O VAL A 98 -1.750 1.450 -7.957 1.00 0.00 O ATOM 1455 CB VAL A 98 -2.000 4.643 -9.268 1.00 0.00 C ATOM 1456 CG1 VAL A 98 -2.920 5.685 -9.886 1.00 0.00 C ATOM 1457 CG2 VAL A 98 -1.529 5.086 -7.891 1.00 0.00 C ATOM 0 H VAL A 98 -3.430 3.667 -7.255 1.00 0.00 H new ATOM 0 HA VAL A 98 -3.215 3.082 -10.128 1.00 0.00 H new ATOM 0 HB VAL A 98 -1.126 4.539 -9.910 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -2.402 6.643 -9.937 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -3.202 5.371 -10.891 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -3.815 5.789 -9.273 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -1.032 6.053 -7.970 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -2.386 5.172 -7.224 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -0.831 4.351 -7.491 1.00 0.00 H new ATOM 1467 N LYS A 99 -0.682 2.106 -9.825 1.00 0.00 N ATOM 1468 CA LYS A 99 0.376 1.110 -9.702 1.00 0.00 C ATOM 1469 C LYS A 99 1.701 1.764 -9.317 1.00 0.00 C ATOM 1470 O LYS A 99 1.960 2.914 -9.669 1.00 0.00 O ATOM 1471 CB LYS A 99 0.537 0.342 -11.016 1.00 0.00 C ATOM 1472 CG LYS A 99 -0.763 -0.249 -11.537 1.00 0.00 C ATOM 1473 CD LYS A 99 -1.230 -1.413 -10.679 1.00 0.00 C ATOM 1474 CE LYS A 99 -0.356 -2.640 -10.880 1.00 0.00 C ATOM 1475 NZ LYS A 99 -1.136 -3.903 -10.764 1.00 0.00 N ATOM 0 H LYS A 99 -0.596 2.714 -10.639 1.00 0.00 H new ATOM 0 HA LYS A 99 0.093 0.414 -8.913 1.00 0.00 H new ATOM 0 HB2 LYS A 99 0.950 1.011 -11.770 1.00 0.00 H new ATOM 0 HB3 LYS A 99 1.260 -0.461 -10.872 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -1.533 0.522 -11.555 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -0.625 -0.586 -12.564 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -1.214 -1.122 -9.629 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -2.263 -1.657 -10.926 1.00 0.00 H new ATOM 0 HE2 LYS A 99 0.115 -2.593 -11.862 1.00 0.00 H new ATOM 0 HE3 LYS A 99 0.446 -2.639 -10.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -0.699 -4.516 -10.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -2.113 -3.683 -10.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -1.141 -4.393 -11.681 1.00 0.00 H new ATOM 1489 N PRO A 100 2.561 1.032 -8.582 1.00 0.00 N ATOM 1490 CA PRO A 100 3.864 1.545 -8.153 1.00 0.00 C ATOM 1491 C PRO A 100 4.593 2.224 -9.300 1.00 0.00 C ATOM 1492 O PRO A 100 5.020 3.373 -9.189 1.00 0.00 O ATOM 1493 CB PRO A 100 4.605 0.286 -7.707 1.00 0.00 C ATOM 1494 CG PRO A 100 3.530 -0.640 -7.252 1.00 0.00 C ATOM 1495 CD PRO A 100 2.331 -0.352 -8.119 1.00 0.00 C ATOM 0 HA PRO A 100 3.786 2.299 -7.370 1.00 0.00 H new ATOM 0 HB2 PRO A 100 5.181 -0.146 -8.525 1.00 0.00 H new ATOM 0 HB3 PRO A 100 5.308 0.503 -6.903 1.00 0.00 H new ATOM 0 HG2 PRO A 100 3.843 -1.679 -7.353 1.00 0.00 H new ATOM 0 HG3 PRO A 100 3.297 -0.478 -6.200 1.00 0.00 H new ATOM 0 HD2 PRO A 100 2.264 -1.048 -8.955 1.00 0.00 H new ATOM 0 HD3 PRO A 100 1.401 -0.438 -7.558 1.00 0.00 H new ATOM 1503 N SER A 101 4.707 1.508 -10.415 1.00 0.00 N ATOM 1504 CA SER A 101 5.356 2.047 -11.600 1.00 0.00 C ATOM 1505 C SER A 101 4.675 3.347 -12.011 1.00 0.00 C ATOM 1506 O SER A 101 5.280 4.200 -12.660 1.00 0.00 O ATOM 1507 CB SER A 101 5.301 1.037 -12.748 1.00 0.00 C ATOM 1508 OG SER A 101 6.389 0.131 -12.682 1.00 0.00 O ATOM 0 H SER A 101 4.358 0.555 -10.520 1.00 0.00 H new ATOM 0 HA SER A 101 6.402 2.247 -11.369 1.00 0.00 H new ATOM 0 HB2 SER A 101 4.362 0.486 -12.707 1.00 0.00 H new ATOM 0 HB3 SER A 101 5.320 1.564 -13.702 1.00 0.00 H new ATOM 0 HG SER A 101 6.582 -0.080 -11.745 1.00 0.00 H new ATOM 1514 N ALA A 102 3.413 3.495 -11.608 1.00 0.00 N ATOM 1515 CA ALA A 102 2.653 4.696 -11.913 1.00 0.00 C ATOM 1516 C ALA A 102 2.817 5.733 -10.805 1.00 0.00 C ATOM 1517 O ALA A 102 2.467 6.901 -10.979 1.00 0.00 O ATOM 1518 CB ALA A 102 1.183 4.357 -12.110 1.00 0.00 C ATOM 0 H ALA A 102 2.900 2.796 -11.070 1.00 0.00 H new ATOM 0 HA ALA A 102 3.039 5.121 -12.840 1.00 0.00 H new ATOM 0 HB1 ALA A 102 0.627 5.267 -12.338 1.00 0.00 H new ATOM 0 HB2 ALA A 102 1.080 3.652 -12.935 1.00 0.00 H new ATOM 0 HB3 ALA A 102 0.788 3.909 -11.198 1.00 0.00 H new ATOM 1524 N VAL A 103 3.354 5.300 -9.664 1.00 0.00 N ATOM 1525 CA VAL A 103 3.564 6.194 -8.532 1.00 0.00 C ATOM 1526 C VAL A 103 4.991 6.733 -8.518 1.00 0.00 C ATOM 1527 O VAL A 103 5.902 6.117 -9.071 1.00 0.00 O ATOM 1528 CB VAL A 103 3.280 5.484 -7.193 1.00 0.00 C ATOM 1529 CG1 VAL A 103 3.355 6.471 -6.038 1.00 0.00 C ATOM 1530 CG2 VAL A 103 1.924 4.795 -7.229 1.00 0.00 C ATOM 0 H VAL A 103 3.650 4.337 -9.502 1.00 0.00 H new ATOM 0 HA VAL A 103 2.866 7.023 -8.648 1.00 0.00 H new ATOM 0 HB VAL A 103 4.044 4.722 -7.039 1.00 0.00 H new ATOM 0 HG11 VAL A 103 3.152 5.951 -5.102 1.00 0.00 H new ATOM 0 HG12 VAL A 103 4.351 6.911 -6.000 1.00 0.00 H new ATOM 0 HG13 VAL A 103 2.616 7.259 -6.184 1.00 0.00 H new ATOM 0 HG21 VAL A 103 1.742 4.300 -6.275 1.00 0.00 H new ATOM 0 HG22 VAL A 103 1.144 5.535 -7.408 1.00 0.00 H new ATOM 0 HG23 VAL A 103 1.913 4.055 -8.030 1.00 0.00 H new ATOM 1540 N THR A 104 5.178 7.884 -7.882 1.00 0.00 N ATOM 1541 CA THR A 104 6.496 8.504 -7.796 1.00 0.00 C ATOM 1542 C THR A 104 6.691 9.185 -6.445 1.00 0.00 C ATOM 1543 O THR A 104 6.051 10.194 -6.148 1.00 0.00 O ATOM 1544 CB THR A 104 6.677 9.522 -8.923 1.00 0.00 C ATOM 1545 OG1 THR A 104 6.016 9.091 -10.100 1.00 0.00 O ATOM 1546 CG2 THR A 104 8.127 9.771 -9.277 1.00 0.00 C ATOM 0 H THR A 104 4.435 8.407 -7.419 1.00 0.00 H new ATOM 0 HA THR A 104 7.246 7.720 -7.899 1.00 0.00 H new ATOM 0 HB THR A 104 6.247 10.450 -8.545 1.00 0.00 H new ATOM 0 HG1 THR A 104 6.142 9.756 -10.808 1.00 0.00 H new ATOM 0 HG21 THR A 104 8.184 10.503 -10.083 1.00 0.00 H new ATOM 0 HG22 THR A 104 8.655 10.152 -8.403 1.00 0.00 H new ATOM 0 HG23 THR A 104 8.588 8.838 -9.601 1.00 0.00 H new ATOM 1554 N VAL A 105 7.581 8.628 -5.631 1.00 0.00 N ATOM 1555 CA VAL A 105 7.863 9.180 -4.311 1.00 0.00 C ATOM 1556 C VAL A 105 8.775 10.399 -4.410 1.00 0.00 C ATOM 1557 O VAL A 105 9.642 10.469 -5.280 1.00 0.00 O ATOM 1558 CB VAL A 105 8.520 8.135 -3.393 1.00 0.00 C ATOM 1559 CG1 VAL A 105 8.625 8.662 -1.970 1.00 0.00 C ATOM 1560 CG2 VAL A 105 7.743 6.827 -3.429 1.00 0.00 C ATOM 0 H VAL A 105 8.120 7.794 -5.862 1.00 0.00 H new ATOM 0 HA VAL A 105 6.906 9.478 -3.882 1.00 0.00 H new ATOM 0 HB VAL A 105 9.528 7.942 -3.759 1.00 0.00 H new ATOM 0 HG11 VAL A 105 9.092 7.908 -1.336 1.00 0.00 H new ATOM 0 HG12 VAL A 105 9.230 9.569 -1.962 1.00 0.00 H new ATOM 0 HG13 VAL A 105 7.628 8.887 -1.591 1.00 0.00 H new ATOM 0 HG21 VAL A 105 8.223 6.100 -2.773 1.00 0.00 H new ATOM 0 HG22 VAL A 105 6.721 7.001 -3.091 1.00 0.00 H new ATOM 0 HG23 VAL A 105 7.727 6.441 -4.448 1.00 0.00 H new ATOM 1570 N GLY A 106 8.572 11.358 -3.512 1.00 0.00 N ATOM 1571 CA GLY A 106 9.384 12.561 -3.515 1.00 0.00 C ATOM 1572 C GLY A 106 10.023 12.833 -2.167 1.00 0.00 C ATOM 1573 O GLY A 106 11.200 13.186 -2.091 1.00 0.00 O ATOM 0 H GLY A 106 7.860 11.323 -2.783 1.00 0.00 H new ATOM 0 HA2 GLY A 106 10.164 12.467 -4.271 1.00 0.00 H new ATOM 0 HA3 GLY A 106 8.765 13.412 -3.799 1.00 0.00 H new