USER MOD reduce.3.24.130724 H: found=0, std=0, add=743, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 741 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 84 HIS : no HD1:sc= 0.997 K(o=2.3,f=-5.4!) USER MOD Set 1.2: A 86 THR OG1 : rot -73:sc= 1.34 USER MOD Set 2.1: A 20 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 71 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 10 TYR OH : rot 180:sc= 0.374 USER MOD Set 3.2: A 24 ASN : amide:sc= 0.23 K(o=0.6,f=-0.13) USER MOD Single : A 2 GLN : amide:sc= -0.167 X(o=-0.17,f=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0.00168 USER MOD Single : A 6 LYS NZ :NH3+ -169:sc= 0.472 (180deg=0.333) USER MOD Single : A 8 GLN : amide:sc= -0.19 K(o=-0.19,f=-0.83) USER MOD Single : A 11 SER OG : rot -85:sc= 1.1 USER MOD Single : A 13 HIS : no HD1:sc= 0 X(o=0,f=-0.0029) USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 LYS NZ :NH3+ -179:sc= 0.754 (180deg=0.753) USER MOD Single : A 21 ASN : amide:sc= 0.581 K(o=0.58,f=-0.73) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot -134:sc= 0.737 USER MOD Single : A 31 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 172:sc=-0.00653 (180deg=-0.0944) USER MOD Single : A 42 ASN : amide:sc= 0.542 K(o=0.54,f=-4.7!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 HIS : no HD1:sc= 0 K(o=0,f=-0.84) USER MOD Single : A 52 SER OG : rot -41:sc= 0.331 USER MOD Single : A 55 SER OG : rot 127:sc= 0.77 USER MOD Single : A 57 SER OG : rot 107:sc= 1.57 USER MOD Single : A 61 SER OG : rot 180:sc= 0.0516 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 TYR OH : rot 180:sc=-0.00185 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot -130:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ -165:sc= 0.803 (180deg=0.584) USER MOD Single : A 78 TYR OH : rot -125:sc= 0.156 USER MOD Single : A 83 ASN : amide:sc= -0.273 K(o=-0.27,f=-3.2!) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=-0.09) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.015) USER MOD ----------------------------------------------------------------- ATOM 39 N GLN A 2 2.363 -5.884 -3.407 1.00 4.03 N ATOM 40 CA GLN A 2 2.761 -6.560 -4.631 1.00 65.44 C ATOM 41 C GLN A 2 3.584 -7.799 -4.268 1.00 34.41 C ATOM 42 O GLN A 2 4.764 -7.895 -4.599 1.00 74.51 O ATOM 43 CB GLN A 2 3.537 -5.566 -5.507 1.00 34.23 C ATOM 44 CG GLN A 2 2.615 -4.470 -6.059 1.00 4.00 C ATOM 45 CD GLN A 2 3.404 -3.428 -6.848 1.00 23.21 C ATOM 46 OE1 GLN A 2 3.602 -2.311 -6.376 1.00 25.15 O ATOM 47 NE2 GLN A 2 3.854 -3.791 -8.052 1.00 1.44 N ATOM 0 HA GLN A 2 1.897 -6.900 -5.202 1.00 65.44 H new ATOM 0 HB2 GLN A 2 4.337 -5.111 -4.923 1.00 34.23 H new ATOM 0 HB3 GLN A 2 4.009 -6.098 -6.333 1.00 34.23 H new ATOM 0 HG2 GLN A 2 1.857 -4.919 -6.701 1.00 4.00 H new ATOM 0 HG3 GLN A 2 2.089 -3.985 -5.236 1.00 4.00 H new ATOM 0 HE21 GLN A 2 3.666 -4.729 -8.405 1.00 1.44 H new ATOM 0 HE22 GLN A 2 4.385 -3.130 -8.618 1.00 1.44 H new ATOM 56 N ARG A 3 2.946 -8.742 -3.564 1.00 21.20 N ATOM 57 CA ARG A 3 3.583 -9.950 -3.055 1.00 43.12 C ATOM 58 C ARG A 3 3.772 -10.951 -4.195 1.00 14.20 C ATOM 59 O ARG A 3 2.862 -11.158 -4.996 1.00 73.22 O ATOM 60 CB ARG A 3 2.717 -10.531 -1.933 1.00 40.24 C ATOM 61 CG ARG A 3 3.448 -11.554 -1.061 1.00 51.21 C ATOM 62 CD ARG A 3 2.438 -12.080 -0.037 1.00 40.33 C ATOM 63 NE ARG A 3 3.009 -13.101 0.849 1.00 60.44 N ATOM 64 CZ ARG A 3 2.272 -13.851 1.686 1.00 23.31 C ATOM 65 NH1 ARG A 3 0.938 -13.742 1.699 1.00 32.30 N ATOM 66 NH2 ARG A 3 2.862 -14.716 2.522 1.00 3.14 N ATOM 0 H ARG A 3 1.955 -8.680 -3.331 1.00 21.20 H new ATOM 0 HA ARG A 3 4.568 -9.720 -2.649 1.00 43.12 H new ATOM 0 HB2 ARG A 3 2.361 -9.717 -1.302 1.00 40.24 H new ATOM 0 HB3 ARG A 3 1.838 -11.002 -2.372 1.00 40.24 H new ATOM 0 HG2 ARG A 3 3.839 -12.369 -1.670 1.00 51.21 H new ATOM 0 HG3 ARG A 3 4.300 -11.094 -0.560 1.00 51.21 H new ATOM 0 HD2 ARG A 3 2.069 -11.249 0.564 1.00 40.33 H new ATOM 0 HD3 ARG A 3 1.580 -12.499 -0.562 1.00 40.33 H new ATOM 0 HE ARG A 3 4.018 -13.249 0.829 1.00 60.44 H new ATOM 0 HH11 ARG A 3 0.474 -13.086 1.071 1.00 32.30 H new ATOM 0 HH12 ARG A 3 0.386 -14.315 2.337 1.00 32.30 H new ATOM 0 HH21 ARG A 3 3.878 -14.809 2.526 1.00 3.14 H new ATOM 0 HH22 ARG A 3 2.295 -15.282 3.154 1.00 3.14 H new ATOM 80 N THR A 4 4.965 -11.551 -4.275 1.00 15.03 N ATOM 81 CA THR A 4 5.359 -12.431 -5.365 1.00 11.20 C ATOM 82 C THR A 4 4.987 -13.887 -5.043 1.00 40.25 C ATOM 83 O THR A 4 4.947 -14.259 -3.871 1.00 1.40 O ATOM 84 CB THR A 4 6.871 -12.283 -5.602 1.00 42.11 C ATOM 85 OG1 THR A 4 7.584 -12.572 -4.416 1.00 0.31 O ATOM 86 CG2 THR A 4 7.224 -10.869 -6.077 1.00 3.21 C ATOM 0 H THR A 4 5.691 -11.432 -3.569 1.00 15.03 H new ATOM 0 HA THR A 4 4.827 -12.152 -6.275 1.00 11.20 H new ATOM 0 HB THR A 4 7.154 -12.991 -6.380 1.00 42.11 H new ATOM 0 HG1 THR A 4 8.545 -12.476 -4.581 1.00 0.31 H new ATOM 0 HG21 THR A 4 8.300 -10.796 -6.236 1.00 3.21 H new ATOM 0 HG22 THR A 4 6.704 -10.659 -7.012 1.00 3.21 H new ATOM 0 HG23 THR A 4 6.919 -10.145 -5.322 1.00 3.21 H new ATOM 94 N PRO A 5 4.736 -14.727 -6.064 1.00 15.41 N ATOM 95 CA PRO A 5 4.460 -16.146 -5.890 1.00 23.32 C ATOM 96 C PRO A 5 5.702 -16.878 -5.383 1.00 74.14 C ATOM 97 O PRO A 5 6.762 -16.799 -6.005 1.00 11.24 O ATOM 98 CB PRO A 5 4.070 -16.669 -7.277 1.00 72.45 C ATOM 99 CG PRO A 5 4.739 -15.688 -8.237 1.00 60.44 C ATOM 100 CD PRO A 5 4.708 -14.369 -7.472 1.00 41.13 C ATOM 0 HA PRO A 5 3.669 -16.309 -5.158 1.00 23.32 H new ATOM 0 HB2 PRO A 5 4.424 -17.688 -7.435 1.00 72.45 H new ATOM 0 HB3 PRO A 5 2.988 -16.684 -7.409 1.00 72.45 H new ATOM 0 HG2 PRO A 5 5.759 -15.991 -8.475 1.00 60.44 H new ATOM 0 HG3 PRO A 5 4.199 -15.618 -9.181 1.00 60.44 H new ATOM 0 HD2 PRO A 5 5.562 -13.745 -7.734 1.00 41.13 H new ATOM 0 HD3 PRO A 5 3.811 -13.798 -7.713 1.00 41.13 H new ATOM 108 N LYS A 6 5.559 -17.608 -4.271 1.00 35.45 N ATOM 109 CA LYS A 6 6.615 -18.445 -3.724 1.00 61.21 C ATOM 110 C LYS A 6 6.530 -19.818 -4.392 1.00 54.54 C ATOM 111 O LYS A 6 5.663 -20.623 -4.057 1.00 64.45 O ATOM 112 CB LYS A 6 6.500 -18.493 -2.191 1.00 43.01 C ATOM 113 CG LYS A 6 7.777 -19.026 -1.523 1.00 1.14 C ATOM 114 CD LYS A 6 7.810 -20.557 -1.409 1.00 62.41 C ATOM 115 CE LYS A 6 9.202 -21.058 -1.012 1.00 34.20 C ATOM 116 NZ LYS A 6 10.162 -20.917 -2.120 1.00 61.12 N ATOM 0 H LYS A 6 4.697 -17.630 -3.726 1.00 35.45 H new ATOM 0 HA LYS A 6 7.603 -18.037 -3.936 1.00 61.21 H new ATOM 0 HB2 LYS A 6 6.287 -17.493 -1.814 1.00 43.01 H new ATOM 0 HB3 LYS A 6 5.657 -19.125 -1.912 1.00 43.01 H new ATOM 0 HG2 LYS A 6 8.644 -18.692 -2.094 1.00 1.14 H new ATOM 0 HG3 LYS A 6 7.866 -18.593 -0.527 1.00 1.14 H new ATOM 0 HD2 LYS A 6 7.079 -20.884 -0.669 1.00 62.41 H new ATOM 0 HD3 LYS A 6 7.520 -21.001 -2.361 1.00 62.41 H new ATOM 0 HE2 LYS A 6 9.558 -20.499 -0.147 1.00 34.20 H new ATOM 0 HE3 LYS A 6 9.142 -22.104 -0.712 1.00 34.20 H new ATOM 0 HZ1 LYS A 6 11.037 -21.430 -1.889 1.00 61.12 H new ATOM 0 HZ2 LYS A 6 9.749 -21.311 -2.989 1.00 61.12 H new ATOM 0 HZ3 LYS A 6 10.379 -19.910 -2.265 1.00 61.12 H new ATOM 130 N ILE A 7 7.438 -20.067 -5.343 1.00 32.31 N ATOM 131 CA ILE A 7 7.496 -21.292 -6.130 1.00 51.25 C ATOM 132 C ILE A 7 7.943 -22.488 -5.282 1.00 74.53 C ATOM 133 O ILE A 7 8.831 -22.367 -4.440 1.00 62.22 O ATOM 134 CB ILE A 7 8.426 -21.101 -7.346 1.00 65.22 C ATOM 135 CG1 ILE A 7 9.808 -20.542 -6.955 1.00 33.45 C ATOM 136 CG2 ILE A 7 7.751 -20.187 -8.377 1.00 62.34 C ATOM 137 CD1 ILE A 7 10.898 -20.961 -7.945 1.00 32.32 C ATOM 0 H ILE A 7 8.170 -19.400 -5.589 1.00 32.31 H new ATOM 0 HA ILE A 7 6.490 -21.509 -6.489 1.00 51.25 H new ATOM 0 HB ILE A 7 8.598 -22.085 -7.782 1.00 65.22 H new ATOM 0 HG12 ILE A 7 9.759 -19.454 -6.909 1.00 33.45 H new ATOM 0 HG13 ILE A 7 10.071 -20.892 -5.957 1.00 33.45 H new ATOM 0 HG21 ILE A 7 8.412 -20.055 -9.234 1.00 62.34 H new ATOM 0 HG22 ILE A 7 6.815 -20.639 -8.706 1.00 62.34 H new ATOM 0 HG23 ILE A 7 7.546 -19.217 -7.924 1.00 62.34 H new ATOM 0 HD11 ILE A 7 11.855 -20.545 -7.630 1.00 32.32 H new ATOM 0 HD12 ILE A 7 10.967 -22.049 -7.972 1.00 32.32 H new ATOM 0 HD13 ILE A 7 10.650 -20.588 -8.939 1.00 32.32 H new ATOM 149 N GLN A 8 7.329 -23.649 -5.537 1.00 31.54 N ATOM 150 CA GLN A 8 7.761 -24.952 -5.057 1.00 3.44 C ATOM 151 C GLN A 8 7.347 -25.957 -6.133 1.00 3.12 C ATOM 152 O GLN A 8 6.229 -26.461 -6.076 1.00 5.12 O ATOM 153 CB GLN A 8 7.093 -25.305 -3.714 1.00 15.30 C ATOM 154 CG GLN A 8 7.478 -24.421 -2.523 1.00 20.40 C ATOM 155 CD GLN A 8 6.815 -24.894 -1.226 1.00 14.51 C ATOM 156 OE1 GLN A 8 6.097 -25.893 -1.207 1.00 33.50 O ATOM 157 NE2 GLN A 8 7.049 -24.170 -0.128 1.00 1.04 N ATOM 0 H GLN A 8 6.485 -23.701 -6.107 1.00 31.54 H new ATOM 0 HA GLN A 8 8.837 -24.963 -4.883 1.00 3.44 H new ATOM 0 HB2 GLN A 8 6.012 -25.256 -3.844 1.00 15.30 H new ATOM 0 HB3 GLN A 8 7.338 -26.338 -3.469 1.00 15.30 H new ATOM 0 HG2 GLN A 8 8.561 -24.427 -2.401 1.00 20.40 H new ATOM 0 HG3 GLN A 8 7.186 -23.391 -2.726 1.00 20.40 H new ATOM 0 HE21 GLN A 8 7.649 -23.347 -0.178 1.00 1.04 H new ATOM 0 HE22 GLN A 8 6.627 -24.440 0.761 1.00 1.04 H new ATOM 166 N VAL A 9 8.210 -26.199 -7.131 1.00 2.30 N ATOM 167 CA VAL A 9 7.900 -27.022 -8.301 1.00 34.35 C ATOM 168 C VAL A 9 8.563 -28.390 -8.149 1.00 2.24 C ATOM 169 O VAL A 9 9.616 -28.649 -8.727 1.00 23.44 O ATOM 170 CB VAL A 9 8.337 -26.305 -9.585 1.00 61.32 C ATOM 171 CG1 VAL A 9 7.828 -27.032 -10.838 1.00 4.54 C ATOM 172 CG2 VAL A 9 7.781 -24.878 -9.625 1.00 55.01 C ATOM 0 H VAL A 9 9.157 -25.821 -7.144 1.00 2.30 H new ATOM 0 HA VAL A 9 6.823 -27.177 -8.373 1.00 34.35 H new ATOM 0 HB VAL A 9 9.427 -26.295 -9.579 1.00 61.32 H new ATOM 0 HG11 VAL A 9 8.157 -26.496 -11.728 1.00 4.54 H new ATOM 0 HG12 VAL A 9 8.227 -28.046 -10.857 1.00 4.54 H new ATOM 0 HG13 VAL A 9 6.739 -27.071 -10.819 1.00 4.54 H new ATOM 0 HG21 VAL A 9 8.103 -24.388 -10.544 1.00 55.01 H new ATOM 0 HG22 VAL A 9 6.692 -24.911 -9.594 1.00 55.01 H new ATOM 0 HG23 VAL A 9 8.152 -24.319 -8.766 1.00 55.01 H new ATOM 182 N TYR A 10 7.935 -29.242 -7.336 1.00 55.44 N ATOM 183 CA TYR A 10 8.480 -30.520 -6.892 1.00 55.02 C ATOM 184 C TYR A 10 7.724 -31.708 -7.482 1.00 34.53 C ATOM 185 O TYR A 10 6.639 -31.551 -8.043 1.00 42.33 O ATOM 186 CB TYR A 10 8.497 -30.566 -5.355 1.00 12.20 C ATOM 187 CG TYR A 10 7.142 -30.448 -4.684 1.00 1.20 C ATOM 188 CD1 TYR A 10 6.415 -31.601 -4.336 1.00 2.50 C ATOM 189 CD2 TYR A 10 6.638 -29.181 -4.345 1.00 73.13 C ATOM 190 CE1 TYR A 10 5.189 -31.484 -3.661 1.00 0.20 C ATOM 191 CE2 TYR A 10 5.401 -29.059 -3.691 1.00 73.34 C ATOM 192 CZ TYR A 10 4.683 -30.213 -3.333 1.00 43.35 C ATOM 193 OH TYR A 10 3.488 -30.103 -2.680 1.00 74.51 O ATOM 0 H TYR A 10 7.006 -29.053 -6.959 1.00 55.44 H new ATOM 0 HA TYR A 10 9.503 -30.601 -7.260 1.00 55.02 H new ATOM 0 HB2 TYR A 10 8.958 -31.503 -5.042 1.00 12.20 H new ATOM 0 HB3 TYR A 10 9.135 -29.760 -4.992 1.00 12.20 H new ATOM 0 HD1 TYR A 10 6.800 -32.578 -4.588 1.00 2.50 H new ATOM 0 HD2 TYR A 10 7.206 -28.295 -4.589 1.00 73.13 H new ATOM 0 HE1 TYR A 10 4.634 -32.371 -3.393 1.00 0.20 H new ATOM 0 HE2 TYR A 10 5.003 -28.081 -3.464 1.00 73.34 H new ATOM 0 HH TYR A 10 3.284 -29.157 -2.528 1.00 74.51 H new ATOM 203 N SER A 11 8.313 -32.901 -7.332 1.00 1.05 N ATOM 204 CA SER A 11 7.722 -34.165 -7.745 1.00 52.01 C ATOM 205 C SER A 11 6.849 -34.689 -6.606 1.00 1.43 C ATOM 206 O SER A 11 7.353 -34.919 -5.507 1.00 33.23 O ATOM 207 CB SER A 11 8.817 -35.194 -8.068 1.00 71.25 C ATOM 208 OG SER A 11 9.902 -34.611 -8.753 1.00 51.41 O ATOM 0 H SER A 11 9.235 -33.009 -6.909 1.00 1.05 H new ATOM 0 HA SER A 11 7.123 -34.007 -8.642 1.00 52.01 H new ATOM 0 HB2 SER A 11 9.173 -35.647 -7.143 1.00 71.25 H new ATOM 0 HB3 SER A 11 8.394 -35.996 -8.673 1.00 71.25 H new ATOM 0 HG SER A 11 9.707 -34.585 -9.713 1.00 51.41 H new ATOM 214 N ARG A 12 5.550 -34.883 -6.859 1.00 61.41 N ATOM 215 CA ARG A 12 4.634 -35.422 -5.861 1.00 44.22 C ATOM 216 C ARG A 12 5.023 -36.866 -5.541 1.00 1.00 C ATOM 217 O ARG A 12 5.351 -37.185 -4.399 1.00 12.45 O ATOM 218 CB ARG A 12 3.194 -35.331 -6.380 1.00 23.23 C ATOM 219 CG ARG A 12 2.129 -36.026 -5.512 1.00 40.53 C ATOM 220 CD ARG A 12 1.909 -35.377 -4.140 1.00 4.14 C ATOM 221 NE ARG A 12 3.055 -35.575 -3.245 1.00 51.43 N ATOM 222 CZ ARG A 12 3.426 -34.756 -2.245 1.00 63.55 C ATOM 223 NH1 ARG A 12 2.692 -33.684 -1.909 1.00 33.12 N ATOM 224 NH2 ARG A 12 4.557 -35.017 -1.577 1.00 42.11 N ATOM 0 H ARG A 12 5.112 -34.671 -7.755 1.00 61.41 H new ATOM 0 HA ARG A 12 4.698 -34.840 -4.942 1.00 44.22 H new ATOM 0 HB2 ARG A 12 2.928 -34.279 -6.477 1.00 23.23 H new ATOM 0 HB3 ARG A 12 3.159 -35.762 -7.381 1.00 23.23 H new ATOM 0 HG2 ARG A 12 1.183 -36.032 -6.054 1.00 40.53 H new ATOM 0 HG3 ARG A 12 2.419 -37.067 -5.366 1.00 40.53 H new ATOM 0 HD2 ARG A 12 1.731 -34.309 -4.269 1.00 4.14 H new ATOM 0 HD3 ARG A 12 1.014 -35.796 -3.680 1.00 4.14 H new ATOM 0 HE ARG A 12 3.622 -36.410 -3.395 1.00 51.43 H new ATOM 0 HH11 ARG A 12 1.832 -33.476 -2.416 1.00 33.12 H new ATOM 0 HH12 ARG A 12 2.994 -33.078 -1.147 1.00 33.12 H new ATOM 0 HH21 ARG A 12 5.123 -35.827 -1.829 1.00 42.11 H new ATOM 0 HH22 ARG A 12 4.852 -34.406 -0.816 1.00 42.11 H new ATOM 238 N HIS A 13 4.994 -37.723 -6.567 1.00 4.33 N ATOM 239 CA HIS A 13 5.525 -39.077 -6.526 1.00 40.03 C ATOM 240 C HIS A 13 7.045 -39.004 -6.712 1.00 2.00 C ATOM 241 O HIS A 13 7.551 -37.979 -7.169 1.00 41.04 O ATOM 242 CB HIS A 13 4.875 -39.885 -7.659 1.00 32.32 C ATOM 243 CG HIS A 13 3.400 -40.117 -7.464 1.00 25.52 C ATOM 244 ND1 HIS A 13 2.876 -41.361 -7.146 1.00 71.32 N ATOM 245 CD2 HIS A 13 2.316 -39.276 -7.543 1.00 53.42 C ATOM 246 CE1 HIS A 13 1.545 -41.213 -7.029 1.00 1.10 C ATOM 247 NE2 HIS A 13 1.139 -39.962 -7.256 1.00 0.13 N ATOM 0 H HIS A 13 4.588 -37.481 -7.471 1.00 4.33 H new ATOM 0 HA HIS A 13 5.307 -39.562 -5.574 1.00 40.03 H new ATOM 0 HB2 HIS A 13 5.030 -39.362 -8.603 1.00 32.32 H new ATOM 0 HB3 HIS A 13 5.378 -40.848 -7.742 1.00 32.32 H new ATOM 0 HD2 HIS A 13 2.370 -38.227 -7.793 1.00 53.42 H new ATOM 0 HE1 HIS A 13 0.875 -42.022 -6.778 1.00 1.10 H new ATOM 0 HE2 HIS A 13 0.188 -39.594 -7.226 1.00 0.13 H new ATOM 255 N PRO A 14 7.793 -40.071 -6.394 1.00 62.42 N ATOM 256 CA PRO A 14 9.186 -40.182 -6.786 1.00 61.41 C ATOM 257 C PRO A 14 9.262 -40.518 -8.279 1.00 21.32 C ATOM 258 O PRO A 14 8.430 -41.262 -8.800 1.00 13.34 O ATOM 259 CB PRO A 14 9.777 -41.267 -5.887 1.00 32.40 C ATOM 260 CG PRO A 14 8.581 -42.161 -5.555 1.00 3.00 C ATOM 261 CD PRO A 14 7.366 -41.234 -5.633 1.00 53.42 C ATOM 0 HA PRO A 14 9.752 -39.259 -6.661 1.00 61.41 H new ATOM 0 HB2 PRO A 14 10.563 -41.824 -6.397 1.00 32.40 H new ATOM 0 HB3 PRO A 14 10.220 -40.842 -4.986 1.00 32.40 H new ATOM 0 HG2 PRO A 14 8.495 -42.986 -6.262 1.00 3.00 H new ATOM 0 HG3 PRO A 14 8.680 -42.601 -4.563 1.00 3.00 H new ATOM 0 HD2 PRO A 14 6.527 -41.731 -6.120 1.00 53.42 H new ATOM 0 HD3 PRO A 14 7.031 -40.946 -4.636 1.00 53.42 H new ATOM 269 N ALA A 15 10.229 -39.905 -8.973 1.00 21.53 N ATOM 270 CA ALA A 15 10.320 -39.909 -10.426 1.00 11.12 C ATOM 271 C ALA A 15 11.040 -41.159 -10.932 1.00 73.12 C ATOM 272 O ALA A 15 12.260 -41.158 -11.090 1.00 13.44 O ATOM 273 CB ALA A 15 11.018 -38.626 -10.887 1.00 41.03 C ATOM 0 H ALA A 15 10.982 -39.384 -8.524 1.00 21.53 H new ATOM 0 HA ALA A 15 9.317 -39.935 -10.851 1.00 11.12 H new ATOM 0 HB1 ALA A 15 11.090 -38.622 -11.975 1.00 41.03 H new ATOM 0 HB2 ALA A 15 10.443 -37.761 -10.558 1.00 41.03 H new ATOM 0 HB3 ALA A 15 12.019 -38.582 -10.457 1.00 41.03 H new ATOM 279 N GLU A 16 10.269 -42.214 -11.220 1.00 3.04 N ATOM 280 CA GLU A 16 10.773 -43.427 -11.848 1.00 75.22 C ATOM 281 C GLU A 16 10.874 -43.231 -13.365 1.00 23.44 C ATOM 282 O GLU A 16 10.241 -42.343 -13.933 1.00 14.12 O ATOM 283 CB GLU A 16 9.874 -44.622 -11.500 1.00 34.20 C ATOM 284 CG GLU A 16 10.142 -45.190 -10.099 1.00 22.25 C ATOM 285 CD GLU A 16 9.707 -44.266 -8.963 1.00 21.25 C ATOM 286 OE1 GLU A 16 10.574 -43.507 -8.480 1.00 65.31 O ATOM 287 OE2 GLU A 16 8.519 -44.348 -8.585 1.00 63.35 O ATOM 0 H GLU A 16 9.269 -42.244 -11.019 1.00 3.04 H new ATOM 0 HA GLU A 16 11.772 -43.638 -11.465 1.00 75.22 H new ATOM 0 HB2 GLU A 16 8.830 -44.315 -11.568 1.00 34.20 H new ATOM 0 HB3 GLU A 16 10.024 -45.409 -12.239 1.00 34.20 H new ATOM 0 HG2 GLU A 16 9.622 -46.143 -9.998 1.00 22.25 H new ATOM 0 HG3 GLU A 16 11.208 -45.396 -9.999 1.00 22.25 H new ATOM 294 N ASN A 17 11.690 -44.075 -14.007 1.00 5.30 N ATOM 295 CA ASN A 17 11.976 -44.026 -15.432 1.00 14.34 C ATOM 296 C ASN A 17 10.748 -44.469 -16.231 1.00 55.05 C ATOM 297 O ASN A 17 10.437 -45.659 -16.274 1.00 11.52 O ATOM 298 CB ASN A 17 13.186 -44.927 -15.713 1.00 20.12 C ATOM 299 CG ASN A 17 13.604 -44.892 -17.181 1.00 5.14 C ATOM 300 OD1 ASN A 17 13.188 -45.739 -17.968 1.00 12.51 O ATOM 301 ND2 ASN A 17 14.442 -43.920 -17.549 1.00 54.24 N ATOM 0 H ASN A 17 12.180 -44.831 -13.529 1.00 5.30 H new ATOM 0 HA ASN A 17 12.212 -43.007 -15.740 1.00 14.34 H new ATOM 0 HB2 ASN A 17 14.024 -44.611 -15.091 1.00 20.12 H new ATOM 0 HB3 ASN A 17 12.947 -45.952 -15.430 1.00 20.12 H new ATOM 0 HD21 ASN A 17 14.761 -43.861 -18.516 1.00 54.24 H new ATOM 0 HD22 ASN A 17 14.763 -43.237 -16.863 1.00 54.24 H new ATOM 308 N GLY A 18 10.056 -43.511 -16.861 1.00 53.43 N ATOM 309 CA GLY A 18 8.884 -43.774 -17.683 1.00 4.21 C ATOM 310 C GLY A 18 7.748 -44.361 -16.850 1.00 41.43 C ATOM 311 O GLY A 18 7.333 -45.496 -17.080 1.00 14.14 O ATOM 0 H GLY A 18 10.303 -42.523 -16.809 1.00 53.43 H new ATOM 0 HA2 GLY A 18 8.552 -42.849 -18.155 1.00 4.21 H new ATOM 0 HA3 GLY A 18 9.146 -44.465 -18.484 1.00 4.21 H new ATOM 315 N LYS A 19 7.252 -43.580 -15.884 1.00 53.22 N ATOM 316 CA LYS A 19 6.150 -43.960 -15.015 1.00 21.42 C ATOM 317 C LYS A 19 5.517 -42.672 -14.496 1.00 22.43 C ATOM 318 O LYS A 19 6.216 -41.825 -13.939 1.00 43.14 O ATOM 319 CB LYS A 19 6.674 -44.857 -13.884 1.00 63.45 C ATOM 320 CG LYS A 19 5.587 -45.623 -13.112 1.00 35.51 C ATOM 321 CD LYS A 19 4.725 -44.795 -12.144 1.00 14.30 C ATOM 322 CE LYS A 19 5.541 -44.038 -11.089 1.00 14.41 C ATOM 323 NZ LYS A 19 6.383 -44.960 -10.312 1.00 5.41 N ATOM 0 H LYS A 19 7.618 -42.649 -15.686 1.00 53.22 H new ATOM 0 HA LYS A 19 5.392 -44.537 -15.545 1.00 21.42 H new ATOM 0 HB2 LYS A 19 7.376 -45.577 -14.306 1.00 63.45 H new ATOM 0 HB3 LYS A 19 7.234 -44.241 -13.180 1.00 63.45 H new ATOM 0 HG2 LYS A 19 4.926 -46.100 -13.835 1.00 35.51 H new ATOM 0 HG3 LYS A 19 6.068 -46.420 -12.545 1.00 35.51 H new ATOM 0 HD2 LYS A 19 4.135 -44.080 -12.717 1.00 14.30 H new ATOM 0 HD3 LYS A 19 4.021 -45.457 -11.640 1.00 14.30 H new ATOM 0 HE2 LYS A 19 6.167 -43.291 -11.576 1.00 14.41 H new ATOM 0 HE3 LYS A 19 4.868 -43.502 -10.419 1.00 14.41 H new ATOM 0 HZ1 LYS A 19 6.912 -44.425 -9.594 1.00 5.41 H new ATOM 0 HZ2 LYS A 19 5.782 -45.668 -9.844 1.00 5.41 H new ATOM 0 HZ3 LYS A 19 7.051 -45.440 -10.948 1.00 5.41 H new ATOM 337 N SER A 20 4.203 -42.530 -14.713 1.00 43.11 N ATOM 338 CA SER A 20 3.421 -41.329 -14.446 1.00 63.44 C ATOM 339 C SER A 20 3.725 -40.719 -13.078 1.00 3.11 C ATOM 340 O SER A 20 3.841 -41.429 -12.080 1.00 32.53 O ATOM 341 CB SER A 20 1.928 -41.635 -14.575 1.00 43.51 C ATOM 342 OG SER A 20 1.645 -42.133 -15.866 1.00 20.43 O ATOM 0 H SER A 20 3.636 -43.286 -15.097 1.00 43.11 H new ATOM 0 HA SER A 20 3.707 -40.587 -15.191 1.00 63.44 H new ATOM 0 HB2 SER A 20 1.632 -42.365 -13.822 1.00 43.51 H new ATOM 0 HB3 SER A 20 1.346 -40.732 -14.389 1.00 43.51 H new ATOM 0 HG SER A 20 0.687 -42.328 -15.939 1.00 20.43 H new ATOM 348 N ASN A 21 3.874 -39.393 -13.060 1.00 35.24 N ATOM 349 CA ASN A 21 4.310 -38.616 -11.917 1.00 41.12 C ATOM 350 C ASN A 21 3.597 -37.268 -11.972 1.00 63.31 C ATOM 351 O ASN A 21 3.614 -36.601 -13.005 1.00 13.54 O ATOM 352 CB ASN A 21 5.831 -38.442 -11.996 1.00 23.14 C ATOM 353 CG ASN A 21 6.393 -37.705 -10.782 1.00 64.24 C ATOM 354 OD1 ASN A 21 6.166 -36.509 -10.608 1.00 21.21 O ATOM 355 ND2 ASN A 21 7.134 -38.418 -9.934 1.00 41.42 N ATOM 0 H ASN A 21 3.684 -38.815 -13.879 1.00 35.24 H new ATOM 0 HA ASN A 21 4.069 -39.111 -10.976 1.00 41.12 H new ATOM 0 HB2 ASN A 21 6.303 -39.421 -12.075 1.00 23.14 H new ATOM 0 HB3 ASN A 21 6.085 -37.892 -12.902 1.00 23.14 H new ATOM 0 HD21 ASN A 21 7.534 -37.973 -9.108 1.00 41.42 H new ATOM 0 HD22 ASN A 21 7.301 -39.409 -10.111 1.00 41.42 H new ATOM 362 N PHE A 22 2.972 -36.871 -10.859 1.00 25.34 N ATOM 363 CA PHE A 22 2.280 -35.599 -10.764 1.00 13.21 C ATOM 364 C PHE A 22 3.271 -34.475 -10.461 1.00 4.21 C ATOM 365 O PHE A 22 4.048 -34.564 -9.511 1.00 44.01 O ATOM 366 CB PHE A 22 1.174 -35.665 -9.706 1.00 43.35 C ATOM 367 CG PHE A 22 -0.096 -36.367 -10.145 1.00 42.32 C ATOM 368 CD1 PHE A 22 -1.223 -35.606 -10.508 1.00 25.44 C ATOM 369 CD2 PHE A 22 -0.198 -37.769 -10.062 1.00 4.22 C ATOM 370 CE1 PHE A 22 -2.463 -36.234 -10.710 1.00 12.51 C ATOM 371 CE2 PHE A 22 -1.439 -38.398 -10.272 1.00 11.23 C ATOM 372 CZ PHE A 22 -2.575 -37.628 -10.577 1.00 45.23 C ATOM 0 H PHE A 22 2.936 -37.427 -10.005 1.00 25.34 H new ATOM 0 HA PHE A 22 1.810 -35.384 -11.724 1.00 13.21 H new ATOM 0 HB2 PHE A 22 1.566 -36.173 -8.825 1.00 43.35 H new ATOM 0 HB3 PHE A 22 0.922 -34.649 -9.402 1.00 43.35 H new ATOM 0 HD1 PHE A 22 -1.134 -34.537 -10.631 1.00 25.44 H new ATOM 0 HD2 PHE A 22 0.676 -38.362 -9.837 1.00 4.22 H new ATOM 0 HE1 PHE A 22 -3.331 -35.645 -10.968 1.00 12.51 H new ATOM 0 HE2 PHE A 22 -1.519 -39.473 -10.199 1.00 11.23 H new ATOM 0 HZ PHE A 22 -3.533 -38.108 -10.709 1.00 45.23 H new ATOM 382 N LEU A 23 3.200 -33.399 -11.254 1.00 5.34 N ATOM 383 CA LEU A 23 3.841 -32.131 -10.943 1.00 64.44 C ATOM 384 C LEU A 23 3.086 -31.508 -9.773 1.00 54.04 C ATOM 385 O LEU A 23 1.873 -31.672 -9.677 1.00 22.22 O ATOM 386 CB LEU A 23 3.769 -31.204 -12.171 1.00 71.34 C ATOM 387 CG LEU A 23 4.685 -29.972 -12.076 1.00 52.02 C ATOM 388 CD1 LEU A 23 6.161 -30.361 -12.232 1.00 52.33 C ATOM 389 CD2 LEU A 23 4.323 -28.973 -13.179 1.00 12.55 C ATOM 0 H LEU A 23 2.689 -33.392 -12.137 1.00 5.34 H new ATOM 0 HA LEU A 23 4.889 -32.279 -10.683 1.00 64.44 H new ATOM 0 HB2 LEU A 23 4.035 -31.775 -13.061 1.00 71.34 H new ATOM 0 HB3 LEU A 23 2.740 -30.870 -12.302 1.00 71.34 H new ATOM 0 HG LEU A 23 4.540 -29.524 -11.093 1.00 52.02 H new ATOM 0 HD11 LEU A 23 6.782 -29.468 -12.160 1.00 52.33 H new ATOM 0 HD12 LEU A 23 6.438 -31.060 -11.443 1.00 52.33 H new ATOM 0 HD13 LEU A 23 6.313 -30.831 -13.204 1.00 52.33 H new ATOM 0 HD21 LEU A 23 4.974 -28.102 -13.109 1.00 12.55 H new ATOM 0 HD22 LEU A 23 4.452 -29.444 -14.153 1.00 12.55 H new ATOM 0 HD23 LEU A 23 3.285 -28.661 -13.061 1.00 12.55 H new ATOM 401 N ASN A 24 3.790 -30.786 -8.898 1.00 60.42 N ATOM 402 CA ASN A 24 3.171 -29.944 -7.888 1.00 75.24 C ATOM 403 C ASN A 24 3.815 -28.566 -7.997 1.00 24.15 C ATOM 404 O ASN A 24 4.753 -28.284 -7.259 1.00 31.24 O ATOM 405 CB ASN A 24 3.369 -30.562 -6.492 1.00 31.30 C ATOM 406 CG ASN A 24 2.266 -31.548 -6.098 1.00 24.32 C ATOM 407 OD1 ASN A 24 1.606 -32.143 -6.945 1.00 41.23 O ATOM 408 ND2 ASN A 24 2.038 -31.704 -4.791 1.00 21.54 N ATOM 0 H ASN A 24 4.810 -30.773 -8.875 1.00 60.42 H new ATOM 0 HA ASN A 24 2.095 -29.859 -8.043 1.00 75.24 H new ATOM 0 HB2 ASN A 24 4.331 -31.075 -6.463 1.00 31.30 H new ATOM 0 HB3 ASN A 24 3.412 -29.763 -5.752 1.00 31.30 H new ATOM 0 HD21 ASN A 24 1.299 -32.331 -4.474 1.00 21.54 H new ATOM 0 HD22 ASN A 24 2.603 -31.196 -4.111 1.00 21.54 H new ATOM 415 N CYS A 25 3.315 -27.715 -8.910 1.00 72.35 N ATOM 416 CA CYS A 25 3.728 -26.317 -9.012 1.00 15.13 C ATOM 417 C CYS A 25 2.866 -25.471 -8.074 1.00 40.55 C ATOM 418 O CYS A 25 1.811 -24.973 -8.465 1.00 64.41 O ATOM 419 CB CYS A 25 3.683 -25.805 -10.460 1.00 64.33 C ATOM 420 SG CYS A 25 4.189 -24.063 -10.602 1.00 65.11 S ATOM 0 H CYS A 25 2.611 -27.985 -9.597 1.00 72.35 H new ATOM 0 HA CYS A 25 4.770 -26.233 -8.703 1.00 15.13 H new ATOM 0 HB2 CYS A 25 4.335 -26.421 -11.080 1.00 64.33 H new ATOM 0 HB3 CYS A 25 2.672 -25.919 -10.850 1.00 64.33 H new ATOM 425 N TYR A 26 3.327 -25.332 -6.827 1.00 0.21 N ATOM 426 CA TYR A 26 2.632 -24.641 -5.754 1.00 34.21 C ATOM 427 C TYR A 26 3.192 -23.223 -5.630 1.00 0.54 C ATOM 428 O TYR A 26 4.258 -23.035 -5.046 1.00 65.42 O ATOM 429 CB TYR A 26 2.832 -25.463 -4.480 1.00 52.45 C ATOM 430 CG TYR A 26 2.141 -24.928 -3.245 1.00 23.45 C ATOM 431 CD1 TYR A 26 0.751 -25.089 -3.099 1.00 34.10 C ATOM 432 CD2 TYR A 26 2.904 -24.420 -2.177 1.00 12.20 C ATOM 433 CE1 TYR A 26 0.132 -24.779 -1.877 1.00 34.41 C ATOM 434 CE2 TYR A 26 2.282 -24.103 -0.957 1.00 74.22 C ATOM 435 CZ TYR A 26 0.895 -24.275 -0.809 1.00 63.43 C ATOM 436 OH TYR A 26 0.288 -23.952 0.370 1.00 51.13 O ATOM 0 H TYR A 26 4.227 -25.714 -6.534 1.00 0.21 H new ATOM 0 HA TYR A 26 1.563 -24.547 -5.947 1.00 34.21 H new ATOM 0 HB2 TYR A 26 2.477 -26.477 -4.663 1.00 52.45 H new ATOM 0 HB3 TYR A 26 3.901 -25.531 -4.276 1.00 52.45 H new ATOM 0 HD1 TYR A 26 0.160 -25.451 -3.927 1.00 34.10 H new ATOM 0 HD2 TYR A 26 3.968 -24.274 -2.295 1.00 12.20 H new ATOM 0 HE1 TYR A 26 -0.931 -24.928 -1.758 1.00 34.41 H new ATOM 0 HE2 TYR A 26 2.870 -23.727 -0.133 1.00 74.22 H new ATOM 0 HH TYR A 26 0.958 -23.619 1.003 1.00 51.13 H new ATOM 446 N VAL A 27 2.489 -22.236 -6.204 1.00 22.44 N ATOM 447 CA VAL A 27 3.001 -20.876 -6.377 1.00 14.55 C ATOM 448 C VAL A 27 2.487 -19.924 -5.291 1.00 4.01 C ATOM 449 O VAL A 27 2.297 -18.740 -5.555 1.00 4.13 O ATOM 450 CB VAL A 27 2.655 -20.371 -7.794 1.00 64.22 C ATOM 451 CG1 VAL A 27 3.352 -21.226 -8.855 1.00 42.25 C ATOM 452 CG2 VAL A 27 1.147 -20.352 -8.076 1.00 53.24 C ATOM 0 H VAL A 27 1.543 -22.364 -6.563 1.00 22.44 H new ATOM 0 HA VAL A 27 4.085 -20.899 -6.268 1.00 14.55 H new ATOM 0 HB VAL A 27 3.012 -19.342 -7.842 1.00 64.22 H new ATOM 0 HG11 VAL A 27 3.096 -20.855 -9.847 1.00 42.25 H new ATOM 0 HG12 VAL A 27 4.432 -21.172 -8.715 1.00 42.25 H new ATOM 0 HG13 VAL A 27 3.026 -22.262 -8.760 1.00 42.25 H new ATOM 0 HG21 VAL A 27 0.971 -19.987 -9.088 1.00 53.24 H new ATOM 0 HG22 VAL A 27 0.746 -21.361 -7.979 1.00 53.24 H new ATOM 0 HG23 VAL A 27 0.652 -19.694 -7.362 1.00 53.24 H new ATOM 462 N SER A 28 2.255 -20.439 -4.079 1.00 63.25 N ATOM 463 CA SER A 28 1.442 -19.800 -3.052 1.00 11.12 C ATOM 464 C SER A 28 1.889 -18.383 -2.672 1.00 61.53 C ATOM 465 O SER A 28 3.082 -18.081 -2.653 1.00 21.34 O ATOM 466 CB SER A 28 1.414 -20.700 -1.813 1.00 63.43 C ATOM 467 OG SER A 28 2.727 -20.922 -1.342 1.00 55.33 O ATOM 0 H SER A 28 2.640 -21.336 -3.782 1.00 63.25 H new ATOM 0 HA SER A 28 0.445 -19.677 -3.474 1.00 11.12 H new ATOM 0 HB2 SER A 28 0.813 -20.236 -1.031 1.00 63.43 H new ATOM 0 HB3 SER A 28 0.941 -21.652 -2.056 1.00 63.43 H new ATOM 0 HG SER A 28 2.846 -21.874 -1.142 1.00 55.33 H new ATOM 473 N GLY A 29 0.910 -17.534 -2.327 1.00 14.50 N ATOM 474 CA GLY A 29 1.136 -16.251 -1.678 1.00 21.53 C ATOM 475 C GLY A 29 1.395 -15.105 -2.654 1.00 63.45 C ATOM 476 O GLY A 29 2.257 -14.272 -2.383 1.00 14.11 O ATOM 0 H GLY A 29 -0.076 -17.731 -2.498 1.00 14.50 H new ATOM 0 HA2 GLY A 29 0.268 -16.006 -1.066 1.00 21.53 H new ATOM 0 HA3 GLY A 29 1.987 -16.341 -1.003 1.00 21.53 H new ATOM 480 N PHE A 30 0.650 -15.043 -3.766 1.00 51.44 N ATOM 481 CA PHE A 30 0.805 -14.003 -4.779 1.00 0.10 C ATOM 482 C PHE A 30 -0.335 -12.990 -4.722 1.00 33.13 C ATOM 483 O PHE A 30 -1.500 -13.362 -4.824 1.00 13.12 O ATOM 484 CB PHE A 30 0.891 -14.622 -6.175 1.00 1.21 C ATOM 485 CG PHE A 30 -0.291 -15.473 -6.591 1.00 41.22 C ATOM 486 CD1 PHE A 30 -0.341 -16.831 -6.237 1.00 53.45 C ATOM 487 CD2 PHE A 30 -1.333 -14.915 -7.349 1.00 72.33 C ATOM 488 CE1 PHE A 30 -1.397 -17.636 -6.685 1.00 51.41 C ATOM 489 CE2 PHE A 30 -2.461 -15.685 -7.671 1.00 4.30 C ATOM 490 CZ PHE A 30 -2.482 -17.053 -7.362 1.00 75.22 C ATOM 0 H PHE A 30 -0.081 -15.720 -3.985 1.00 51.44 H new ATOM 0 HA PHE A 30 1.734 -13.474 -4.567 1.00 0.10 H new ATOM 0 HB2 PHE A 30 1.010 -13.818 -6.902 1.00 1.21 H new ATOM 0 HB3 PHE A 30 1.792 -15.234 -6.226 1.00 1.21 H new ATOM 0 HD1 PHE A 30 0.436 -17.256 -5.618 1.00 53.45 H new ATOM 0 HD2 PHE A 30 -1.266 -13.891 -7.685 1.00 72.33 H new ATOM 0 HE1 PHE A 30 -1.377 -18.702 -6.510 1.00 51.41 H new ATOM 0 HE2 PHE A 30 -3.310 -15.226 -8.155 1.00 4.30 H new ATOM 0 HZ PHE A 30 -3.331 -17.658 -7.644 1.00 75.22 H new ATOM 500 N HIS A 31 0.011 -11.709 -4.569 1.00 45.23 N ATOM 501 CA HIS A 31 -0.937 -10.601 -4.596 1.00 11.03 C ATOM 502 C HIS A 31 -0.631 -9.706 -5.797 1.00 13.15 C ATOM 503 O HIS A 31 0.528 -9.329 -5.970 1.00 40.52 O ATOM 504 CB HIS A 31 -0.833 -9.785 -3.304 1.00 73.11 C ATOM 505 CG HIS A 31 -1.468 -10.482 -2.133 1.00 20.11 C ATOM 506 ND1 HIS A 31 -2.517 -9.920 -1.422 1.00 43.01 N ATOM 507 CD2 HIS A 31 -1.288 -11.732 -1.593 1.00 20.34 C ATOM 508 CE1 HIS A 31 -2.936 -10.841 -0.539 1.00 3.33 C ATOM 509 NE2 HIS A 31 -2.229 -11.969 -0.599 1.00 25.32 N ATOM 0 H HIS A 31 0.975 -11.412 -4.421 1.00 45.23 H new ATOM 0 HA HIS A 31 -1.949 -10.996 -4.680 1.00 11.03 H new ATOM 0 HB2 HIS A 31 0.217 -9.592 -3.083 1.00 73.11 H new ATOM 0 HB3 HIS A 31 -1.311 -8.816 -3.450 1.00 73.11 H new ATOM 0 HD2 HIS A 31 -0.523 -12.431 -1.898 1.00 20.34 H new ATOM 0 HE1 HIS A 31 -3.757 -10.685 0.145 1.00 3.33 H new ATOM 0 HE2 HIS A 31 -2.351 -12.814 -0.042 1.00 25.32 H new ATOM 517 N PRO A 32 -1.624 -9.329 -6.618 1.00 3.13 N ATOM 518 CA PRO A 32 -3.045 -9.634 -6.511 1.00 32.45 C ATOM 519 C PRO A 32 -3.340 -10.993 -7.161 1.00 72.32 C ATOM 520 O PRO A 32 -2.430 -11.788 -7.379 1.00 34.34 O ATOM 521 CB PRO A 32 -3.718 -8.477 -7.256 1.00 72.11 C ATOM 522 CG PRO A 32 -2.752 -8.234 -8.413 1.00 0.00 C ATOM 523 CD PRO A 32 -1.389 -8.466 -7.761 1.00 14.01 C ATOM 0 HA PRO A 32 -3.404 -9.717 -5.485 1.00 32.45 H new ATOM 0 HB2 PRO A 32 -4.715 -8.744 -7.607 1.00 72.11 H new ATOM 0 HB3 PRO A 32 -3.828 -7.595 -6.625 1.00 72.11 H new ATOM 0 HG2 PRO A 32 -2.928 -8.922 -9.240 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -2.844 -7.224 -8.813 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -0.697 -8.931 -8.463 1.00 14.01 H new ATOM 0 HD3 PRO A 32 -0.942 -7.522 -7.450 1.00 14.01 H new ATOM 531 N SER A 33 -4.614 -11.251 -7.478 1.00 53.15 N ATOM 532 CA SER A 33 -5.092 -12.492 -8.073 1.00 53.23 C ATOM 533 C SER A 33 -4.666 -12.685 -9.537 1.00 44.02 C ATOM 534 O SER A 33 -4.844 -13.779 -10.069 1.00 45.54 O ATOM 535 CB SER A 33 -6.619 -12.531 -7.945 1.00 72.11 C ATOM 536 OG SER A 33 -7.196 -11.405 -8.575 1.00 61.55 O ATOM 0 H SER A 33 -5.361 -10.575 -7.320 1.00 53.15 H new ATOM 0 HA SER A 33 -4.631 -13.318 -7.530 1.00 53.23 H new ATOM 0 HB2 SER A 33 -7.005 -13.445 -8.396 1.00 72.11 H new ATOM 0 HB3 SER A 33 -6.902 -12.551 -6.892 1.00 72.11 H new ATOM 0 HG SER A 33 -8.171 -11.445 -8.487 1.00 61.55 H new ATOM 542 N ASP A 34 -4.136 -11.640 -10.190 1.00 42.23 N ATOM 543 CA ASP A 34 -3.848 -11.619 -11.621 1.00 31.22 C ATOM 544 C ASP A 34 -2.518 -12.319 -11.945 1.00 32.21 C ATOM 545 O ASP A 34 -1.569 -11.681 -12.398 1.00 25.22 O ATOM 546 CB ASP A 34 -3.875 -10.155 -12.092 1.00 20.12 C ATOM 547 CG ASP A 34 -3.755 -10.013 -13.608 1.00 45.33 C ATOM 548 OD1 ASP A 34 -4.648 -10.543 -14.304 1.00 53.03 O ATOM 549 OD2 ASP A 34 -2.781 -9.362 -14.044 1.00 14.31 O ATOM 0 H ASP A 34 -3.892 -10.768 -9.721 1.00 42.23 H new ATOM 0 HA ASP A 34 -4.608 -12.182 -12.162 1.00 31.22 H new ATOM 0 HB2 ASP A 34 -4.804 -9.690 -11.762 1.00 20.12 H new ATOM 0 HB3 ASP A 34 -3.059 -9.611 -11.616 1.00 20.12 H new ATOM 554 N ILE A 35 -2.462 -13.641 -11.725 1.00 12.00 N ATOM 555 CA ILE A 35 -1.320 -14.483 -12.070 1.00 4.42 C ATOM 556 C ILE A 35 -1.549 -15.155 -13.425 1.00 13.23 C ATOM 557 O ILE A 35 -2.685 -15.267 -13.883 1.00 41.22 O ATOM 558 CB ILE A 35 -1.039 -15.502 -10.946 1.00 1.24 C ATOM 559 CG1 ILE A 35 0.379 -16.085 -11.070 1.00 0.14 C ATOM 560 CG2 ILE A 35 -2.100 -16.614 -10.916 1.00 14.44 C ATOM 561 CD1 ILE A 35 0.875 -16.730 -9.774 1.00 23.31 C ATOM 0 H ILE A 35 -3.227 -14.159 -11.294 1.00 12.00 H new ATOM 0 HA ILE A 35 -0.429 -13.862 -12.164 1.00 4.42 H new ATOM 0 HB ILE A 35 -1.099 -14.970 -9.996 1.00 1.24 H new ATOM 0 HG12 ILE A 35 0.392 -16.828 -11.867 1.00 0.14 H new ATOM 0 HG13 ILE A 35 1.068 -15.292 -11.362 1.00 0.14 H new ATOM 0 HG21 ILE A 35 -1.871 -17.314 -10.112 1.00 14.44 H new ATOM 0 HG22 ILE A 35 -3.083 -16.175 -10.745 1.00 14.44 H new ATOM 0 HG23 ILE A 35 -2.100 -17.143 -11.869 1.00 14.44 H new ATOM 0 HD11 ILE A 35 1.881 -17.123 -9.925 1.00 23.31 H new ATOM 0 HD12 ILE A 35 0.892 -15.984 -8.980 1.00 23.31 H new ATOM 0 HD13 ILE A 35 0.206 -17.543 -9.493 1.00 23.31 H new ATOM 573 N GLU A 36 -0.460 -15.603 -14.060 1.00 20.14 N ATOM 574 CA GLU A 36 -0.466 -16.252 -15.360 1.00 13.23 C ATOM 575 C GLU A 36 0.500 -17.436 -15.313 1.00 73.54 C ATOM 576 O GLU A 36 1.620 -17.358 -15.817 1.00 43.32 O ATOM 577 CB GLU A 36 -0.021 -15.243 -16.419 1.00 0.15 C ATOM 578 CG GLU A 36 -0.959 -14.045 -16.586 1.00 2.33 C ATOM 579 CD GLU A 36 -0.378 -13.063 -17.600 1.00 51.01 C ATOM 580 OE1 GLU A 36 0.595 -12.371 -17.225 1.00 35.22 O ATOM 581 OE2 GLU A 36 -0.901 -13.034 -18.734 1.00 22.31 O ATOM 0 H GLU A 36 0.476 -15.517 -13.664 1.00 20.14 H new ATOM 0 HA GLU A 36 -1.465 -16.610 -15.611 1.00 13.23 H new ATOM 0 HB2 GLU A 36 0.973 -14.877 -16.160 1.00 0.15 H new ATOM 0 HB3 GLU A 36 0.068 -15.756 -17.377 1.00 0.15 H new ATOM 0 HG2 GLU A 36 -1.940 -14.385 -16.918 1.00 2.33 H new ATOM 0 HG3 GLU A 36 -1.101 -13.548 -15.627 1.00 2.33 H new ATOM 588 N VAL A 37 0.063 -18.544 -14.710 1.00 32.13 N ATOM 589 CA VAL A 37 0.843 -19.773 -14.668 1.00 41.35 C ATOM 590 C VAL A 37 0.577 -20.564 -15.946 1.00 11.43 C ATOM 591 O VAL A 37 -0.311 -21.414 -15.999 1.00 54.42 O ATOM 592 CB VAL A 37 0.545 -20.582 -13.405 1.00 20.15 C ATOM 593 CG1 VAL A 37 1.528 -21.753 -13.297 1.00 64.34 C ATOM 594 CG2 VAL A 37 0.690 -19.698 -12.162 1.00 60.11 C ATOM 0 H VAL A 37 -0.840 -18.610 -14.240 1.00 32.13 H new ATOM 0 HA VAL A 37 1.905 -19.534 -14.621 1.00 41.35 H new ATOM 0 HB VAL A 37 -0.477 -20.957 -13.466 1.00 20.15 H new ATOM 0 HG11 VAL A 37 1.312 -22.327 -12.396 1.00 64.34 H new ATOM 0 HG12 VAL A 37 1.425 -22.397 -14.171 1.00 64.34 H new ATOM 0 HG13 VAL A 37 2.547 -21.369 -13.248 1.00 64.34 H new ATOM 0 HG21 VAL A 37 0.475 -20.286 -11.270 1.00 60.11 H new ATOM 0 HG22 VAL A 37 1.708 -19.313 -12.106 1.00 60.11 H new ATOM 0 HG23 VAL A 37 -0.010 -18.865 -12.224 1.00 60.11 H new ATOM 604 N ASP A 38 1.363 -20.251 -16.977 1.00 13.31 N ATOM 605 CA ASP A 38 1.230 -20.787 -18.322 1.00 2.24 C ATOM 606 C ASP A 38 2.144 -22.009 -18.466 1.00 55.43 C ATOM 607 O ASP A 38 3.031 -22.025 -19.315 1.00 22.32 O ATOM 608 CB ASP A 38 1.582 -19.648 -19.289 1.00 34.22 C ATOM 609 CG ASP A 38 1.408 -20.024 -20.757 1.00 21.41 C ATOM 610 OD1 ASP A 38 2.435 -20.045 -21.469 1.00 51.05 O ATOM 611 OD2 ASP A 38 0.246 -20.266 -21.150 1.00 2.01 O ATOM 0 H ASP A 38 2.137 -19.592 -16.889 1.00 13.31 H new ATOM 0 HA ASP A 38 0.220 -21.132 -18.544 1.00 2.24 H new ATOM 0 HB2 ASP A 38 0.955 -18.785 -19.066 1.00 34.22 H new ATOM 0 HB3 ASP A 38 2.615 -19.344 -19.120 1.00 34.22 H new ATOM 616 N LEU A 39 1.958 -23.017 -17.602 1.00 31.31 N ATOM 617 CA LEU A 39 2.916 -24.104 -17.441 1.00 54.03 C ATOM 618 C LEU A 39 3.009 -25.002 -18.666 1.00 20.13 C ATOM 619 O LEU A 39 2.035 -25.200 -19.391 1.00 54.23 O ATOM 620 CB LEU A 39 2.635 -24.912 -16.174 1.00 43.13 C ATOM 621 CG LEU A 39 1.317 -25.698 -16.258 1.00 63.12 C ATOM 622 CD1 LEU A 39 1.581 -27.179 -16.558 1.00 25.20 C ATOM 623 CD2 LEU A 39 0.562 -25.590 -14.932 1.00 34.53 C ATOM 0 H LEU A 39 1.139 -23.096 -16.999 1.00 31.31 H new ATOM 0 HA LEU A 39 3.894 -23.636 -17.332 1.00 54.03 H new ATOM 0 HB2 LEU A 39 3.458 -25.606 -15.999 1.00 43.13 H new ATOM 0 HB3 LEU A 39 2.599 -24.238 -15.318 1.00 43.13 H new ATOM 0 HG LEU A 39 0.721 -25.272 -17.065 1.00 63.12 H new ATOM 0 HD11 LEU A 39 0.633 -27.714 -16.612 1.00 25.20 H new ATOM 0 HD12 LEU A 39 2.104 -27.270 -17.510 1.00 25.20 H new ATOM 0 HD13 LEU A 39 2.194 -27.607 -15.765 1.00 25.20 H new ATOM 0 HD21 LEU A 39 -0.371 -26.149 -14.998 1.00 34.53 H new ATOM 0 HD22 LEU A 39 1.175 -26.001 -14.130 1.00 34.53 H new ATOM 0 HD23 LEU A 39 0.343 -24.543 -14.722 1.00 34.53 H new ATOM 635 N LEU A 40 4.224 -25.513 -18.878 1.00 0.04 N ATOM 636 CA LEU A 40 4.676 -26.128 -20.114 1.00 51.11 C ATOM 637 C LEU A 40 5.324 -27.484 -19.827 1.00 51.33 C ATOM 638 O LEU A 40 5.849 -27.707 -18.735 1.00 23.31 O ATOM 639 CB LEU A 40 5.716 -25.216 -20.787 1.00 51.35 C ATOM 640 CG LEU A 40 5.291 -23.747 -20.958 1.00 61.45 C ATOM 641 CD1 LEU A 40 6.408 -22.975 -21.669 1.00 1.54 C ATOM 642 CD2 LEU A 40 3.995 -23.607 -21.763 1.00 61.24 C ATOM 0 H LEU A 40 4.946 -25.506 -18.157 1.00 0.04 H new ATOM 0 HA LEU A 40 3.816 -26.270 -20.769 1.00 51.11 H new ATOM 0 HB2 LEU A 40 6.634 -25.245 -20.200 1.00 51.35 H new ATOM 0 HB3 LEU A 40 5.952 -25.625 -21.769 1.00 51.35 H new ATOM 0 HG LEU A 40 5.111 -23.340 -19.963 1.00 61.45 H new ATOM 0 HD11 LEU A 40 6.110 -21.934 -21.792 1.00 1.54 H new ATOM 0 HD12 LEU A 40 7.320 -23.024 -21.074 1.00 1.54 H new ATOM 0 HD13 LEU A 40 6.590 -23.418 -22.648 1.00 1.54 H new ATOM 0 HD21 LEU A 40 3.737 -22.552 -21.856 1.00 61.24 H new ATOM 0 HD22 LEU A 40 4.135 -24.035 -22.755 1.00 61.24 H new ATOM 0 HD23 LEU A 40 3.190 -24.134 -21.251 1.00 61.24 H new ATOM 654 N LYS A 41 5.337 -28.356 -20.842 1.00 22.20 N ATOM 655 CA LYS A 41 6.187 -29.536 -20.893 1.00 13.44 C ATOM 656 C LYS A 41 6.847 -29.578 -22.268 1.00 31.34 C ATOM 657 O LYS A 41 6.156 -29.594 -23.284 1.00 53.55 O ATOM 658 CB LYS A 41 5.401 -30.813 -20.566 1.00 20.11 C ATOM 659 CG LYS A 41 4.288 -31.158 -21.565 1.00 45.13 C ATOM 660 CD LYS A 41 3.505 -32.390 -21.093 1.00 21.43 C ATOM 661 CE LYS A 41 2.312 -32.708 -22.004 1.00 71.43 C ATOM 662 NZ LYS A 41 2.714 -32.874 -23.412 1.00 32.33 N ATOM 0 H LYS A 41 4.742 -28.253 -21.664 1.00 22.20 H new ATOM 0 HA LYS A 41 6.963 -29.479 -20.130 1.00 13.44 H new ATOM 0 HB2 LYS A 41 6.098 -31.649 -20.517 1.00 20.11 H new ATOM 0 HB3 LYS A 41 4.960 -30.708 -19.575 1.00 20.11 H new ATOM 0 HG2 LYS A 41 3.612 -30.310 -21.673 1.00 45.13 H new ATOM 0 HG3 LYS A 41 4.719 -31.349 -22.548 1.00 45.13 H new ATOM 0 HD2 LYS A 41 4.173 -33.251 -21.059 1.00 21.43 H new ATOM 0 HD3 LYS A 41 3.148 -32.223 -20.077 1.00 21.43 H new ATOM 0 HE2 LYS A 41 1.825 -33.620 -21.657 1.00 71.43 H new ATOM 0 HE3 LYS A 41 1.577 -31.906 -21.930 1.00 71.43 H new ATOM 0 HZ1 LYS A 41 1.904 -33.219 -23.966 1.00 32.33 H new ATOM 0 HZ2 LYS A 41 3.029 -31.959 -23.793 1.00 32.33 H new ATOM 0 HZ3 LYS A 41 3.492 -33.561 -23.472 1.00 32.33 H new ATOM 676 N ASN A 42 8.183 -29.532 -22.300 1.00 34.15 N ATOM 677 CA ASN A 42 8.971 -29.420 -23.523 1.00 33.41 C ATOM 678 C ASN A 42 8.530 -28.203 -24.352 1.00 53.24 C ATOM 679 O ASN A 42 8.548 -28.252 -25.581 1.00 42.55 O ATOM 680 CB ASN A 42 8.906 -30.725 -24.339 1.00 75.44 C ATOM 681 CG ASN A 42 9.274 -31.977 -23.539 1.00 4.55 C ATOM 682 OD1 ASN A 42 9.803 -31.898 -22.433 1.00 2.34 O ATOM 683 ND2 ASN A 42 8.989 -33.150 -24.106 1.00 15.40 N ATOM 0 H ASN A 42 8.755 -29.573 -21.456 1.00 34.15 H new ATOM 0 HA ASN A 42 10.013 -29.262 -23.246 1.00 33.41 H new ATOM 0 HB2 ASN A 42 7.898 -30.843 -24.737 1.00 75.44 H new ATOM 0 HB3 ASN A 42 9.578 -30.641 -25.193 1.00 75.44 H new ATOM 0 HD21 ASN A 42 9.211 -34.019 -23.620 1.00 15.40 H new ATOM 0 HD22 ASN A 42 8.549 -33.178 -25.026 1.00 15.40 H new ATOM 690 N GLY A 43 8.114 -27.119 -23.681 1.00 61.55 N ATOM 691 CA GLY A 43 7.625 -25.904 -24.317 1.00 11.25 C ATOM 692 C GLY A 43 6.122 -25.926 -24.631 1.00 11.23 C ATOM 693 O GLY A 43 5.559 -24.871 -24.919 1.00 72.45 O ATOM 0 H GLY A 43 8.111 -27.069 -22.662 1.00 61.55 H new ATOM 0 HA2 GLY A 43 7.838 -25.055 -23.667 1.00 11.25 H new ATOM 0 HA3 GLY A 43 8.177 -25.743 -25.243 1.00 11.25 H new ATOM 697 N GLU A 44 5.471 -27.100 -24.596 1.00 2.04 N ATOM 698 CA GLU A 44 4.092 -27.275 -25.037 1.00 33.53 C ATOM 699 C GLU A 44 3.113 -27.067 -23.885 1.00 32.21 C ATOM 700 O GLU A 44 3.259 -27.681 -22.829 1.00 3.30 O ATOM 701 CB GLU A 44 3.899 -28.678 -25.634 1.00 0.32 C ATOM 702 CG GLU A 44 4.887 -28.996 -26.763 1.00 25.43 C ATOM 703 CD GLU A 44 4.799 -27.981 -27.899 1.00 35.13 C ATOM 704 OE1 GLU A 44 5.651 -27.066 -27.910 1.00 41.03 O ATOM 705 OE2 GLU A 44 3.875 -28.133 -28.727 1.00 3.44 O ATOM 0 H GLU A 44 5.900 -27.960 -24.255 1.00 2.04 H new ATOM 0 HA GLU A 44 3.888 -26.525 -25.801 1.00 33.53 H new ATOM 0 HB2 GLU A 44 4.010 -29.420 -24.844 1.00 0.32 H new ATOM 0 HB3 GLU A 44 2.882 -28.767 -26.015 1.00 0.32 H new ATOM 0 HG2 GLU A 44 5.902 -29.008 -26.365 1.00 25.43 H new ATOM 0 HG3 GLU A 44 4.685 -29.994 -27.152 1.00 25.43 H new ATOM 712 N ARG A 45 2.090 -26.234 -24.115 1.00 4.40 N ATOM 713 CA ARG A 45 0.990 -26.020 -23.184 1.00 13.43 C ATOM 714 C ARG A 45 0.146 -27.291 -23.081 1.00 20.35 C ATOM 715 O ARG A 45 -0.133 -27.936 -24.090 1.00 21.21 O ATOM 716 CB ARG A 45 0.129 -24.839 -23.650 1.00 62.14 C ATOM 717 CG ARG A 45 0.921 -23.528 -23.643 1.00 53.24 C ATOM 718 CD ARG A 45 0.040 -22.354 -24.078 1.00 44.24 C ATOM 719 NE ARG A 45 0.741 -21.078 -23.894 1.00 33.24 N ATOM 720 CZ ARG A 45 1.656 -20.546 -24.720 1.00 72.22 C ATOM 721 NH1 ARG A 45 1.945 -21.113 -25.900 1.00 63.23 N ATOM 722 NH2 ARG A 45 2.295 -19.428 -24.349 1.00 41.24 N ATOM 0 H ARG A 45 2.008 -25.683 -24.970 1.00 4.40 H new ATOM 0 HA ARG A 45 1.393 -25.786 -22.199 1.00 13.43 H new ATOM 0 HB2 ARG A 45 -0.244 -25.034 -24.655 1.00 62.14 H new ATOM 0 HB3 ARG A 45 -0.741 -24.743 -23.000 1.00 62.14 H new ATOM 0 HG2 ARG A 45 1.314 -23.342 -22.644 1.00 53.24 H new ATOM 0 HG3 ARG A 45 1.777 -23.612 -24.312 1.00 53.24 H new ATOM 0 HD2 ARG A 45 -0.240 -22.472 -25.125 1.00 44.24 H new ATOM 0 HD3 ARG A 45 -0.884 -22.353 -23.499 1.00 44.24 H new ATOM 0 HE ARG A 45 0.511 -20.543 -23.057 1.00 33.24 H new ATOM 0 HH11 ARG A 45 1.466 -21.967 -26.187 1.00 63.23 H new ATOM 0 HH12 ARG A 45 2.644 -20.691 -26.511 1.00 63.23 H new ATOM 0 HH21 ARG A 45 2.083 -18.994 -23.451 1.00 41.24 H new ATOM 0 HH22 ARG A 45 2.993 -19.011 -24.965 1.00 41.24 H new ATOM 736 N ILE A 46 -0.240 -27.655 -21.853 1.00 71.14 N ATOM 737 CA ILE A 46 -0.918 -28.908 -21.548 1.00 42.51 C ATOM 738 C ILE A 46 -2.432 -28.698 -21.655 1.00 52.33 C ATOM 739 O ILE A 46 -2.954 -27.720 -21.122 1.00 31.24 O ATOM 740 CB ILE A 46 -0.497 -29.393 -20.147 1.00 53.42 C ATOM 741 CG1 ILE A 46 1.034 -29.306 -19.987 1.00 65.33 C ATOM 742 CG2 ILE A 46 -1.002 -30.826 -19.919 1.00 14.12 C ATOM 743 CD1 ILE A 46 1.550 -29.983 -18.718 1.00 61.24 C ATOM 0 H ILE A 46 -0.084 -27.071 -21.031 1.00 71.14 H new ATOM 0 HA ILE A 46 -0.635 -29.681 -22.262 1.00 42.51 H new ATOM 0 HB ILE A 46 -0.946 -28.748 -19.392 1.00 53.42 H new ATOM 0 HG12 ILE A 46 1.509 -29.765 -20.854 1.00 65.33 H new ATOM 0 HG13 ILE A 46 1.332 -28.258 -19.978 1.00 65.33 H new ATOM 0 HG21 ILE A 46 -0.702 -31.164 -18.927 1.00 14.12 H new ATOM 0 HG22 ILE A 46 -2.089 -30.845 -19.995 1.00 14.12 H new ATOM 0 HG23 ILE A 46 -0.574 -31.487 -20.673 1.00 14.12 H new ATOM 0 HD11 ILE A 46 2.634 -29.884 -18.668 1.00 61.24 H new ATOM 0 HD12 ILE A 46 1.102 -29.509 -17.845 1.00 61.24 H new ATOM 0 HD13 ILE A 46 1.282 -31.039 -18.735 1.00 61.24 H new ATOM 755 N GLU A 47 -3.133 -29.614 -22.340 1.00 53.44 N ATOM 756 CA GLU A 47 -4.575 -29.534 -22.571 1.00 35.43 C ATOM 757 C GLU A 47 -5.372 -30.223 -21.447 1.00 23.23 C ATOM 758 O GLU A 47 -6.491 -30.679 -21.672 1.00 25.52 O ATOM 759 CB GLU A 47 -4.878 -30.109 -23.968 1.00 31.10 C ATOM 760 CG GLU A 47 -6.208 -29.616 -24.558 1.00 2.02 C ATOM 761 CD GLU A 47 -6.389 -30.107 -25.992 1.00 4.03 C ATOM 762 OE1 GLU A 47 -6.911 -31.233 -26.149 1.00 13.11 O ATOM 763 OE2 GLU A 47 -6.002 -29.349 -26.908 1.00 13.41 O ATOM 0 H GLU A 47 -2.703 -30.442 -22.753 1.00 53.44 H new ATOM 0 HA GLU A 47 -4.898 -28.493 -22.548 1.00 35.43 H new ATOM 0 HB2 GLU A 47 -4.067 -29.841 -24.646 1.00 31.10 H new ATOM 0 HB3 GLU A 47 -4.897 -31.197 -23.908 1.00 31.10 H new ATOM 0 HG2 GLU A 47 -7.035 -29.969 -23.942 1.00 2.02 H new ATOM 0 HG3 GLU A 47 -6.237 -28.527 -24.537 1.00 2.02 H new ATOM 770 N LYS A 48 -4.816 -30.275 -20.227 1.00 61.22 N ATOM 771 CA LYS A 48 -5.501 -30.734 -19.025 1.00 60.33 C ATOM 772 C LYS A 48 -4.705 -30.263 -17.804 1.00 31.42 C ATOM 773 O LYS A 48 -4.035 -31.054 -17.141 1.00 74.41 O ATOM 774 CB LYS A 48 -5.708 -32.261 -19.032 1.00 61.45 C ATOM 775 CG LYS A 48 -6.621 -32.692 -17.872 1.00 65.31 C ATOM 776 CD LYS A 48 -6.691 -34.218 -17.755 1.00 42.23 C ATOM 777 CE LYS A 48 -7.521 -34.623 -16.530 1.00 72.54 C ATOM 778 NZ LYS A 48 -7.460 -36.074 -16.287 1.00 0.02 N ATOM 0 H LYS A 48 -3.852 -29.990 -20.052 1.00 61.22 H new ATOM 0 HA LYS A 48 -6.501 -30.303 -18.988 1.00 60.33 H new ATOM 0 HB2 LYS A 48 -6.148 -32.569 -19.981 1.00 61.45 H new ATOM 0 HB3 LYS A 48 -4.744 -32.764 -18.949 1.00 61.45 H new ATOM 0 HG2 LYS A 48 -6.249 -32.270 -16.938 1.00 65.31 H new ATOM 0 HG3 LYS A 48 -7.623 -32.291 -18.027 1.00 65.31 H new ATOM 0 HD2 LYS A 48 -7.134 -34.638 -18.658 1.00 42.23 H new ATOM 0 HD3 LYS A 48 -5.685 -34.629 -17.673 1.00 42.23 H new ATOM 0 HE2 LYS A 48 -7.156 -34.091 -15.651 1.00 72.54 H new ATOM 0 HE3 LYS A 48 -8.558 -34.322 -16.677 1.00 72.54 H new ATOM 0 HZ1 LYS A 48 -8.033 -36.310 -15.452 1.00 0.02 H new ATOM 0 HZ2 LYS A 48 -7.831 -36.581 -17.116 1.00 0.02 H new ATOM 0 HZ3 LYS A 48 -6.473 -36.357 -16.122 1.00 0.02 H new ATOM 792 N VAL A 49 -4.793 -28.960 -17.510 1.00 52.15 N ATOM 793 CA VAL A 49 -4.235 -28.355 -16.309 1.00 35.23 C ATOM 794 C VAL A 49 -5.298 -28.394 -15.210 1.00 13.04 C ATOM 795 O VAL A 49 -6.464 -28.100 -15.470 1.00 40.33 O ATOM 796 CB VAL A 49 -3.800 -26.911 -16.612 1.00 0.00 C ATOM 797 CG1 VAL A 49 -3.389 -26.162 -15.338 1.00 20.14 C ATOM 798 CG2 VAL A 49 -2.619 -26.904 -17.590 1.00 2.33 C ATOM 0 H VAL A 49 -5.265 -28.289 -18.117 1.00 52.15 H new ATOM 0 HA VAL A 49 -3.356 -28.905 -15.974 1.00 35.23 H new ATOM 0 HB VAL A 49 -4.658 -26.405 -17.055 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -3.088 -25.146 -15.594 1.00 20.14 H new ATOM 0 HG12 VAL A 49 -4.232 -26.128 -14.648 1.00 20.14 H new ATOM 0 HG13 VAL A 49 -2.554 -26.679 -14.865 1.00 20.14 H new ATOM 0 HG21 VAL A 49 -2.322 -25.875 -17.795 1.00 2.33 H new ATOM 0 HG22 VAL A 49 -1.780 -27.443 -17.151 1.00 2.33 H new ATOM 0 HG23 VAL A 49 -2.914 -27.389 -18.521 1.00 2.33 H new ATOM 808 N GLU A 50 -4.878 -28.731 -13.985 1.00 23.23 N ATOM 809 CA GLU A 50 -5.706 -28.677 -12.787 1.00 14.05 C ATOM 810 C GLU A 50 -5.252 -27.499 -11.924 1.00 20.14 C ATOM 811 O GLU A 50 -4.162 -26.965 -12.126 1.00 41.55 O ATOM 812 CB GLU A 50 -5.603 -30.002 -12.023 1.00 3.21 C ATOM 813 CG GLU A 50 -6.070 -31.187 -12.877 1.00 14.10 C ATOM 814 CD GLU A 50 -6.075 -32.482 -12.072 1.00 3.01 C ATOM 815 OE1 GLU A 50 -7.067 -32.691 -11.340 1.00 14.40 O ATOM 816 OE2 GLU A 50 -5.091 -33.242 -12.200 1.00 60.33 O ATOM 0 H GLU A 50 -3.929 -29.056 -13.801 1.00 23.23 H new ATOM 0 HA GLU A 50 -6.752 -28.530 -13.057 1.00 14.05 H new ATOM 0 HB2 GLU A 50 -4.571 -30.163 -11.711 1.00 3.21 H new ATOM 0 HB3 GLU A 50 -6.205 -29.947 -11.116 1.00 3.21 H new ATOM 0 HG2 GLU A 50 -7.072 -30.990 -13.259 1.00 14.10 H new ATOM 0 HG3 GLU A 50 -5.415 -31.296 -13.741 1.00 14.10 H new ATOM 823 N HIS A 51 -6.098 -27.083 -10.975 1.00 53.13 N ATOM 824 CA HIS A 51 -5.845 -25.951 -10.093 1.00 65.43 C ATOM 825 C HIS A 51 -6.553 -26.169 -8.755 1.00 4.44 C ATOM 826 O HIS A 51 -7.624 -26.773 -8.714 1.00 51.02 O ATOM 827 CB HIS A 51 -6.310 -24.647 -10.755 1.00 63.52 C ATOM 828 CG HIS A 51 -7.774 -24.645 -11.116 1.00 44.21 C ATOM 829 ND1 HIS A 51 -8.756 -24.160 -10.266 1.00 12.33 N ATOM 830 CD2 HIS A 51 -8.448 -25.100 -12.224 1.00 41.22 C ATOM 831 CE1 HIS A 51 -9.939 -24.343 -10.876 1.00 54.25 C ATOM 832 NE2 HIS A 51 -9.819 -24.912 -12.077 1.00 60.14 N ATOM 0 H HIS A 51 -6.994 -27.537 -10.800 1.00 53.13 H new ATOM 0 HA HIS A 51 -4.774 -25.872 -9.908 1.00 65.43 H new ATOM 0 HB2 HIS A 51 -6.109 -23.815 -10.081 1.00 63.52 H new ATOM 0 HB3 HIS A 51 -5.721 -24.476 -11.656 1.00 63.52 H new ATOM 0 HD2 HIS A 51 -7.978 -25.543 -13.090 1.00 41.22 H new ATOM 0 HE1 HIS A 51 -10.886 -24.060 -10.441 1.00 54.25 H new ATOM 0 HE2 HIS A 51 -10.560 -25.153 -12.735 1.00 60.14 H new ATOM 840 N SER A 52 -5.963 -25.653 -7.668 1.00 54.41 N ATOM 841 CA SER A 52 -6.562 -25.671 -6.337 1.00 4.22 C ATOM 842 C SER A 52 -7.413 -24.416 -6.077 1.00 13.32 C ATOM 843 O SER A 52 -7.801 -24.184 -4.933 1.00 41.05 O ATOM 844 CB SER A 52 -5.448 -25.818 -5.293 1.00 22.22 C ATOM 845 OG SER A 52 -5.965 -26.159 -4.025 1.00 51.33 O ATOM 0 H SER A 52 -5.046 -25.207 -7.694 1.00 54.41 H new ATOM 0 HA SER A 52 -7.240 -26.522 -6.265 1.00 4.22 H new ATOM 0 HB2 SER A 52 -4.744 -26.584 -5.617 1.00 22.22 H new ATOM 0 HB3 SER A 52 -4.891 -24.884 -5.220 1.00 22.22 H new ATOM 0 HG SER A 52 -6.779 -25.641 -3.854 1.00 51.33 H new ATOM 851 N ASP A 53 -7.703 -23.621 -7.122 1.00 12.43 N ATOM 852 CA ASP A 53 -8.552 -22.430 -7.092 1.00 53.42 C ATOM 853 C ASP A 53 -7.942 -21.289 -6.263 1.00 51.24 C ATOM 854 O ASP A 53 -7.016 -21.506 -5.482 1.00 14.24 O ATOM 855 CB ASP A 53 -9.980 -22.809 -6.655 1.00 64.25 C ATOM 856 CG ASP A 53 -10.957 -21.641 -6.750 1.00 74.45 C ATOM 857 OD1 ASP A 53 -11.372 -21.154 -5.676 1.00 45.45 O ATOM 858 OD2 ASP A 53 -11.255 -21.242 -7.896 1.00 34.55 O ATOM 0 H ASP A 53 -7.330 -23.806 -8.053 1.00 12.43 H new ATOM 0 HA ASP A 53 -8.616 -22.030 -8.104 1.00 53.42 H new ATOM 0 HB2 ASP A 53 -10.340 -23.629 -7.277 1.00 64.25 H new ATOM 0 HB3 ASP A 53 -9.956 -23.174 -5.628 1.00 64.25 H new ATOM 863 N LEU A 54 -8.459 -20.066 -6.458 1.00 60.21 N ATOM 864 CA LEU A 54 -8.086 -18.865 -5.720 1.00 23.25 C ATOM 865 C LEU A 54 -8.601 -18.959 -4.280 1.00 34.25 C ATOM 866 O LEU A 54 -9.602 -18.343 -3.920 1.00 65.43 O ATOM 867 CB LEU A 54 -8.634 -17.631 -6.455 1.00 21.12 C ATOM 868 CG LEU A 54 -7.993 -16.336 -5.931 1.00 33.34 C ATOM 869 CD1 LEU A 54 -6.697 -16.037 -6.692 1.00 4.31 C ATOM 870 CD2 LEU A 54 -8.947 -15.150 -6.116 1.00 61.54 C ATOM 0 H LEU A 54 -9.175 -19.887 -7.162 1.00 60.21 H new ATOM 0 HA LEU A 54 -7.001 -18.771 -5.669 1.00 23.25 H new ATOM 0 HB2 LEU A 54 -8.442 -17.727 -7.524 1.00 21.12 H new ATOM 0 HB3 LEU A 54 -9.715 -17.581 -6.328 1.00 21.12 H new ATOM 0 HG LEU A 54 -7.779 -16.475 -4.871 1.00 33.34 H new ATOM 0 HD11 LEU A 54 -6.255 -15.117 -6.310 1.00 4.31 H new ATOM 0 HD12 LEU A 54 -5.996 -16.861 -6.555 1.00 4.31 H new ATOM 0 HD13 LEU A 54 -6.917 -15.920 -7.753 1.00 4.31 H new ATOM 0 HD21 LEU A 54 -8.476 -14.242 -5.739 1.00 61.54 H new ATOM 0 HD22 LEU A 54 -9.175 -15.028 -7.175 1.00 61.54 H new ATOM 0 HD23 LEU A 54 -9.869 -15.336 -5.565 1.00 61.54 H new ATOM 882 N SER A 55 -7.905 -19.760 -3.470 1.00 11.12 N ATOM 883 CA SER A 55 -8.345 -20.206 -2.158 1.00 11.24 C ATOM 884 C SER A 55 -7.572 -19.458 -1.072 1.00 1.45 C ATOM 885 O SER A 55 -6.379 -19.207 -1.221 1.00 52.13 O ATOM 886 CB SER A 55 -8.151 -21.722 -2.083 1.00 32.43 C ATOM 887 OG SER A 55 -8.952 -22.340 -3.068 1.00 11.03 O ATOM 0 H SER A 55 -6.987 -20.126 -3.724 1.00 11.12 H new ATOM 0 HA SER A 55 -9.400 -19.986 -1.997 1.00 11.24 H new ATOM 0 HB2 SER A 55 -7.102 -21.975 -2.238 1.00 32.43 H new ATOM 0 HB3 SER A 55 -8.424 -22.087 -1.093 1.00 32.43 H new ATOM 0 HG SER A 55 -8.397 -22.934 -3.616 1.00 11.03 H new ATOM 893 N PHE A 56 -8.271 -19.058 -0.002 1.00 3.00 N ATOM 894 CA PHE A 56 -7.843 -17.982 0.884 1.00 34.33 C ATOM 895 C PHE A 56 -7.315 -18.502 2.224 1.00 33.42 C ATOM 896 O PHE A 56 -7.949 -18.301 3.260 1.00 44.31 O ATOM 897 CB PHE A 56 -9.031 -17.027 1.089 1.00 0.51 C ATOM 898 CG PHE A 56 -9.666 -16.547 -0.203 1.00 54.21 C ATOM 899 CD1 PHE A 56 -9.021 -15.567 -0.977 1.00 74.23 C ATOM 900 CD2 PHE A 56 -10.855 -17.138 -0.671 1.00 64.24 C ATOM 901 CE1 PHE A 56 -9.571 -15.163 -2.205 1.00 61.21 C ATOM 902 CE2 PHE A 56 -11.411 -16.727 -1.894 1.00 1.25 C ATOM 903 CZ PHE A 56 -10.775 -15.731 -2.656 1.00 22.42 C ATOM 0 H PHE A 56 -9.158 -19.481 0.271 1.00 3.00 H new ATOM 0 HA PHE A 56 -7.009 -17.454 0.421 1.00 34.33 H new ATOM 0 HB2 PHE A 56 -9.789 -17.530 1.690 1.00 0.51 H new ATOM 0 HB3 PHE A 56 -8.694 -16.162 1.660 1.00 0.51 H new ATOM 0 HD1 PHE A 56 -8.101 -15.124 -0.627 1.00 74.23 H new ATOM 0 HD2 PHE A 56 -11.340 -17.908 -0.089 1.00 64.24 H new ATOM 0 HE1 PHE A 56 -9.069 -14.416 -2.802 1.00 61.21 H new ATOM 0 HE2 PHE A 56 -12.327 -17.176 -2.249 1.00 1.25 H new ATOM 0 HZ PHE A 56 -11.212 -15.402 -3.588 1.00 22.42 H new ATOM 913 N SER A 57 -6.127 -19.120 2.222 1.00 32.22 N ATOM 914 CA SER A 57 -5.425 -19.454 3.457 1.00 2.04 C ATOM 915 C SER A 57 -4.748 -18.208 4.033 1.00 41.33 C ATOM 916 O SER A 57 -4.382 -17.294 3.295 1.00 23.13 O ATOM 917 CB SER A 57 -4.393 -20.559 3.211 1.00 5.22 C ATOM 918 OG SER A 57 -5.040 -21.794 3.002 1.00 54.14 O ATOM 0 H SER A 57 -5.635 -19.398 1.373 1.00 32.22 H new ATOM 0 HA SER A 57 -6.153 -19.823 4.180 1.00 2.04 H new ATOM 0 HB2 SER A 57 -3.782 -20.309 2.343 1.00 5.22 H new ATOM 0 HB3 SER A 57 -3.719 -20.633 4.065 1.00 5.22 H new ATOM 0 HG SER A 57 -4.988 -22.034 2.053 1.00 54.14 H new ATOM 965 N SER A 61 -3.175 -15.525 1.275 1.00 65.54 N ATOM 966 CA SER A 61 -2.278 -16.324 0.456 1.00 13.25 C ATOM 967 C SER A 61 -3.108 -17.169 -0.499 1.00 64.54 C ATOM 968 O SER A 61 -3.687 -18.175 -0.091 1.00 2.04 O ATOM 969 CB SER A 61 -1.364 -17.205 1.317 1.00 1.34 C ATOM 970 OG SER A 61 -0.398 -16.422 1.983 1.00 64.12 O ATOM 0 HA SER A 61 -1.629 -15.659 -0.114 1.00 13.25 H new ATOM 0 HB2 SER A 61 -1.961 -17.753 2.046 1.00 1.34 H new ATOM 0 HB3 SER A 61 -0.869 -17.946 0.689 1.00 1.34 H new ATOM 0 HG SER A 61 0.174 -17.002 2.528 1.00 64.12 H new ATOM 976 N PHE A 62 -3.148 -16.756 -1.770 1.00 23.41 N ATOM 977 CA PHE A 62 -3.848 -17.472 -2.821 1.00 61.34 C ATOM 978 C PHE A 62 -3.007 -18.686 -3.204 1.00 33.35 C ATOM 979 O PHE A 62 -2.000 -18.542 -3.895 1.00 72.15 O ATOM 980 CB PHE A 62 -4.101 -16.544 -4.017 1.00 12.43 C ATOM 981 CG PHE A 62 -4.729 -15.193 -3.706 1.00 3.41 C ATOM 982 CD1 PHE A 62 -4.436 -14.097 -4.539 1.00 62.35 C ATOM 983 CD2 PHE A 62 -5.550 -15.001 -2.575 1.00 21.41 C ATOM 984 CE1 PHE A 62 -4.881 -12.809 -4.200 1.00 13.23 C ATOM 985 CE2 PHE A 62 -5.972 -13.707 -2.224 1.00 25.24 C ATOM 986 CZ PHE A 62 -5.632 -12.610 -3.032 1.00 71.31 C ATOM 0 H PHE A 62 -2.688 -15.905 -2.093 1.00 23.41 H new ATOM 0 HA PHE A 62 -4.825 -17.812 -2.477 1.00 61.34 H new ATOM 0 HB2 PHE A 62 -3.151 -16.371 -4.522 1.00 12.43 H new ATOM 0 HB3 PHE A 62 -4.746 -17.066 -4.724 1.00 12.43 H new ATOM 0 HD1 PHE A 62 -3.866 -14.247 -5.444 1.00 62.35 H new ATOM 0 HD2 PHE A 62 -5.854 -15.848 -1.979 1.00 21.41 H new ATOM 0 HE1 PHE A 62 -4.645 -11.971 -4.839 1.00 13.23 H new ATOM 0 HE2 PHE A 62 -6.559 -13.556 -1.330 1.00 25.24 H new ATOM 0 HZ PHE A 62 -5.948 -11.615 -2.755 1.00 71.31 H new ATOM 996 N TYR A 63 -3.383 -19.869 -2.701 1.00 62.21 N ATOM 997 CA TYR A 63 -2.585 -21.078 -2.864 1.00 53.43 C ATOM 998 C TYR A 63 -3.092 -21.936 -4.020 1.00 52.42 C ATOM 999 O TYR A 63 -4.072 -22.667 -3.885 1.00 52.02 O ATOM 1000 CB TYR A 63 -2.463 -21.844 -1.543 1.00 41.15 C ATOM 1001 CG TYR A 63 -3.738 -22.455 -0.988 1.00 11.32 C ATOM 1002 CD1 TYR A 63 -4.652 -21.662 -0.272 1.00 41.15 C ATOM 1003 CD2 TYR A 63 -4.017 -23.820 -1.194 1.00 20.52 C ATOM 1004 CE1 TYR A 63 -5.855 -22.218 0.196 1.00 4.10 C ATOM 1005 CE2 TYR A 63 -5.214 -24.379 -0.716 1.00 20.20 C ATOM 1006 CZ TYR A 63 -6.135 -23.577 -0.022 1.00 61.22 C ATOM 1007 OH TYR A 63 -7.305 -24.112 0.437 1.00 43.23 O ATOM 0 H TYR A 63 -4.245 -20.008 -2.174 1.00 62.21 H new ATOM 0 HA TYR A 63 -1.572 -20.783 -3.138 1.00 53.43 H new ATOM 0 HB2 TYR A 63 -1.734 -22.643 -1.679 1.00 41.15 H new ATOM 0 HB3 TYR A 63 -2.056 -21.166 -0.793 1.00 41.15 H new ATOM 0 HD1 TYR A 63 -4.429 -20.623 -0.081 1.00 41.15 H new ATOM 0 HD2 TYR A 63 -3.307 -24.440 -1.722 1.00 20.52 H new ATOM 0 HE1 TYR A 63 -6.565 -21.599 0.724 1.00 4.10 H new ATOM 0 HE2 TYR A 63 -5.426 -25.425 -0.882 1.00 20.20 H new ATOM 0 HH TYR A 63 -7.344 -25.063 0.203 1.00 43.23 H new ATOM 1017 N LEU A 64 -2.417 -21.826 -5.169 1.00 40.32 N ATOM 1018 CA LEU A 64 -2.785 -22.543 -6.380 1.00 5.34 C ATOM 1019 C LEU A 64 -1.734 -23.610 -6.656 1.00 3.14 C ATOM 1020 O LEU A 64 -0.658 -23.311 -7.171 1.00 52.44 O ATOM 1021 CB LEU A 64 -2.913 -21.581 -7.565 1.00 2.33 C ATOM 1022 CG LEU A 64 -4.231 -20.786 -7.565 1.00 41.14 C ATOM 1023 CD1 LEU A 64 -4.357 -19.843 -6.363 1.00 1.24 C ATOM 1024 CD2 LEU A 64 -4.324 -20.008 -8.882 1.00 24.45 C ATOM 0 H LEU A 64 -1.596 -21.231 -5.279 1.00 40.32 H new ATOM 0 HA LEU A 64 -3.756 -23.018 -6.242 1.00 5.34 H new ATOM 0 HB2 LEU A 64 -2.076 -20.883 -7.549 1.00 2.33 H new ATOM 0 HB3 LEU A 64 -2.838 -22.147 -8.493 1.00 2.33 H new ATOM 0 HG LEU A 64 -5.059 -21.490 -7.478 1.00 41.14 H new ATOM 0 HD11 LEU A 64 -5.306 -19.310 -6.417 1.00 1.24 H new ATOM 0 HD12 LEU A 64 -4.318 -20.422 -5.440 1.00 1.24 H new ATOM 0 HD13 LEU A 64 -3.536 -19.126 -6.376 1.00 1.24 H new ATOM 0 HD21 LEU A 64 -5.252 -19.437 -8.902 1.00 24.45 H new ATOM 0 HD22 LEU A 64 -3.477 -19.327 -8.963 1.00 24.45 H new ATOM 0 HD23 LEU A 64 -4.309 -20.706 -9.719 1.00 24.45 H new ATOM 1036 N LEU A 65 -2.071 -24.859 -6.333 1.00 33.22 N ATOM 1037 CA LEU A 65 -1.336 -26.020 -6.790 1.00 62.34 C ATOM 1038 C LEU A 65 -1.769 -26.296 -8.228 1.00 23.13 C ATOM 1039 O LEU A 65 -2.947 -26.559 -8.455 1.00 42.14 O ATOM 1040 CB LEU A 65 -1.678 -27.208 -5.881 1.00 41.24 C ATOM 1041 CG LEU A 65 -0.815 -28.437 -6.189 1.00 52.05 C ATOM 1042 CD1 LEU A 65 0.615 -28.219 -5.692 1.00 23.23 C ATOM 1043 CD2 LEU A 65 -1.416 -29.673 -5.511 1.00 24.20 C ATOM 0 H LEU A 65 -2.870 -25.086 -5.741 1.00 33.22 H new ATOM 0 HA LEU A 65 -0.259 -25.857 -6.754 1.00 62.34 H new ATOM 0 HB2 LEU A 65 -1.538 -26.919 -4.839 1.00 41.24 H new ATOM 0 HB3 LEU A 65 -2.730 -27.465 -6.002 1.00 41.24 H new ATOM 0 HG LEU A 65 -0.793 -28.590 -7.268 1.00 52.05 H new ATOM 0 HD11 LEU A 65 1.217 -29.100 -5.917 1.00 23.23 H new ATOM 0 HD12 LEU A 65 1.044 -27.349 -6.189 1.00 23.23 H new ATOM 0 HD13 LEU A 65 0.604 -28.053 -4.615 1.00 23.23 H new ATOM 0 HD21 LEU A 65 -0.800 -30.545 -5.732 1.00 24.20 H new ATOM 0 HD22 LEU A 65 -1.450 -29.516 -4.433 1.00 24.20 H new ATOM 0 HD23 LEU A 65 -2.426 -29.838 -5.885 1.00 24.20 H new ATOM 1055 N TYR A 66 -0.835 -26.234 -9.186 1.00 20.43 N ATOM 1056 CA TYR A 66 -1.096 -26.561 -10.583 1.00 31.32 C ATOM 1057 C TYR A 66 -0.509 -27.936 -10.898 1.00 13.32 C ATOM 1058 O TYR A 66 0.686 -28.044 -11.173 1.00 4.32 O ATOM 1059 CB TYR A 66 -0.516 -25.490 -11.510 1.00 54.03 C ATOM 1060 CG TYR A 66 -1.227 -24.151 -11.482 1.00 51.54 C ATOM 1061 CD1 TYR A 66 -2.229 -23.869 -12.429 1.00 54.21 C ATOM 1062 CD2 TYR A 66 -0.809 -23.146 -10.590 1.00 34.43 C ATOM 1063 CE1 TYR A 66 -2.788 -22.582 -12.507 1.00 44.05 C ATOM 1064 CE2 TYR A 66 -1.381 -21.865 -10.657 1.00 12.34 C ATOM 1065 CZ TYR A 66 -2.346 -21.572 -11.636 1.00 1.12 C ATOM 1066 OH TYR A 66 -2.832 -20.302 -11.755 1.00 44.55 O ATOM 0 H TYR A 66 0.129 -25.953 -9.006 1.00 20.43 H new ATOM 0 HA TYR A 66 -2.173 -26.588 -10.750 1.00 31.32 H new ATOM 0 HB2 TYR A 66 0.530 -25.333 -11.246 1.00 54.03 H new ATOM 0 HB3 TYR A 66 -0.533 -25.870 -12.532 1.00 54.03 H new ATOM 0 HD1 TYR A 66 -2.570 -24.645 -13.099 1.00 54.21 H new ATOM 0 HD2 TYR A 66 -0.048 -23.360 -9.854 1.00 34.43 H new ATOM 0 HE1 TYR A 66 -3.556 -22.370 -13.236 1.00 44.05 H new ATOM 0 HE2 TYR A 66 -1.078 -21.103 -9.954 1.00 12.34 H new ATOM 0 HH TYR A 66 -2.422 -19.730 -11.073 1.00 44.55 H new ATOM 1076 N TYR A 67 -1.350 -28.978 -10.821 1.00 52.15 N ATOM 1077 CA TYR A 67 -0.904 -30.368 -10.817 1.00 2.35 C ATOM 1078 C TYR A 67 -1.338 -31.135 -12.071 1.00 3.10 C ATOM 1079 O TYR A 67 -2.428 -31.700 -12.118 1.00 2.42 O ATOM 1080 CB TYR A 67 -1.323 -31.065 -9.508 1.00 22.15 C ATOM 1081 CG TYR A 67 -2.808 -31.112 -9.192 1.00 51.22 C ATOM 1082 CD1 TYR A 67 -3.456 -29.978 -8.669 1.00 25.15 C ATOM 1083 CD2 TYR A 67 -3.520 -32.320 -9.317 1.00 32.11 C ATOM 1084 CE1 TYR A 67 -4.830 -30.015 -8.379 1.00 44.25 C ATOM 1085 CE2 TYR A 67 -4.886 -32.371 -8.989 1.00 74.11 C ATOM 1086 CZ TYR A 67 -5.547 -31.214 -8.540 1.00 22.44 C ATOM 1087 OH TYR A 67 -6.881 -31.261 -8.253 1.00 60.13 O ATOM 0 H TYR A 67 -2.363 -28.873 -10.760 1.00 52.15 H new ATOM 0 HA TYR A 67 0.185 -30.367 -10.853 1.00 2.35 H new ATOM 0 HB2 TYR A 67 -0.951 -32.089 -9.536 1.00 22.15 H new ATOM 0 HB3 TYR A 67 -0.817 -30.565 -8.682 1.00 22.15 H new ATOM 0 HD1 TYR A 67 -2.894 -29.074 -8.489 1.00 25.15 H new ATOM 0 HD2 TYR A 67 -3.016 -33.209 -9.666 1.00 32.11 H new ATOM 0 HE1 TYR A 67 -5.334 -29.125 -8.033 1.00 44.25 H new ATOM 0 HE2 TYR A 67 -5.429 -33.300 -9.082 1.00 74.11 H new ATOM 0 HH TYR A 67 -7.220 -32.165 -8.421 1.00 60.13 H new ATOM 1097 N THR A 68 -0.447 -31.193 -13.069 1.00 41.14 N ATOM 1098 CA THR A 68 -0.565 -32.077 -14.228 1.00 43.52 C ATOM 1099 C THR A 68 0.032 -33.452 -13.897 1.00 63.22 C ATOM 1100 O THR A 68 0.898 -33.539 -13.029 1.00 53.22 O ATOM 1101 CB THR A 68 0.130 -31.441 -15.445 1.00 71.23 C ATOM 1102 OG1 THR A 68 0.007 -32.308 -16.554 1.00 51.43 O ATOM 1103 CG2 THR A 68 1.615 -31.133 -15.203 1.00 2.11 C ATOM 0 H THR A 68 0.392 -30.613 -13.091 1.00 41.14 H new ATOM 0 HA THR A 68 -1.617 -32.216 -14.476 1.00 43.52 H new ATOM 0 HB THR A 68 -0.364 -30.488 -15.634 1.00 71.23 H new ATOM 0 HG1 THR A 68 0.886 -32.438 -16.967 1.00 51.43 H new ATOM 0 HG21 THR A 68 2.045 -30.686 -16.100 1.00 2.11 H new ATOM 0 HG22 THR A 68 1.711 -30.437 -14.369 1.00 2.11 H new ATOM 0 HG23 THR A 68 2.144 -32.056 -14.968 1.00 2.11 H new ATOM 1111 N GLU A 69 -0.412 -34.508 -14.596 1.00 40.03 N ATOM 1112 CA GLU A 69 0.090 -35.873 -14.453 1.00 43.05 C ATOM 1113 C GLU A 69 0.876 -36.266 -15.706 1.00 11.50 C ATOM 1114 O GLU A 69 0.300 -36.765 -16.672 1.00 24.21 O ATOM 1115 CB GLU A 69 -1.079 -36.830 -14.182 1.00 24.23 C ATOM 1116 CG GLU A 69 -0.568 -38.231 -13.812 1.00 3.43 C ATOM 1117 CD GLU A 69 -1.689 -39.217 -13.486 1.00 13.20 C ATOM 1118 OE1 GLU A 69 -2.870 -38.851 -13.677 1.00 32.44 O ATOM 1119 OE2 GLU A 69 -1.339 -40.334 -13.048 1.00 2.30 O ATOM 0 H GLU A 69 -1.151 -34.428 -15.295 1.00 40.03 H new ATOM 0 HA GLU A 69 0.770 -35.935 -13.603 1.00 43.05 H new ATOM 0 HB2 GLU A 69 -1.695 -36.438 -13.373 1.00 24.23 H new ATOM 0 HB3 GLU A 69 -1.715 -36.892 -15.065 1.00 24.23 H new ATOM 0 HG2 GLU A 69 0.023 -38.624 -14.639 1.00 3.43 H new ATOM 0 HG3 GLU A 69 0.098 -38.152 -12.953 1.00 3.43 H new ATOM 1126 N PHE A 70 2.194 -36.033 -15.686 1.00 53.05 N ATOM 1127 CA PHE A 70 3.080 -36.263 -16.822 1.00 14.00 C ATOM 1128 C PHE A 70 3.831 -37.591 -16.701 1.00 13.34 C ATOM 1129 O PHE A 70 4.104 -38.043 -15.592 1.00 15.44 O ATOM 1130 CB PHE A 70 4.086 -35.115 -16.910 1.00 2.02 C ATOM 1131 CG PHE A 70 5.060 -35.020 -15.745 1.00 54.25 C ATOM 1132 CD1 PHE A 70 4.779 -34.174 -14.657 1.00 2.11 C ATOM 1133 CD2 PHE A 70 6.213 -35.829 -15.717 1.00 25.21 C ATOM 1134 CE1 PHE A 70 5.624 -34.171 -13.534 1.00 13.43 C ATOM 1135 CE2 PHE A 70 7.028 -35.857 -14.574 1.00 44.01 C ATOM 1136 CZ PHE A 70 6.720 -35.039 -13.477 1.00 42.43 C ATOM 0 H PHE A 70 2.678 -35.673 -14.863 1.00 53.05 H new ATOM 0 HA PHE A 70 2.470 -36.309 -17.724 1.00 14.00 H new ATOM 0 HB2 PHE A 70 4.656 -35.222 -17.833 1.00 2.02 H new ATOM 0 HB3 PHE A 70 3.537 -34.176 -16.982 1.00 2.02 H new ATOM 0 HD1 PHE A 70 3.915 -33.527 -14.685 1.00 2.11 H new ATOM 0 HD2 PHE A 70 6.471 -36.429 -16.577 1.00 25.21 H new ATOM 0 HE1 PHE A 70 5.427 -33.497 -12.713 1.00 13.43 H new ATOM 0 HE2 PHE A 70 7.890 -36.507 -14.540 1.00 44.01 H new ATOM 0 HZ PHE A 70 7.330 -35.079 -12.587 1.00 42.43 H new ATOM 1146 N THR A 71 4.224 -38.173 -17.842 1.00 65.23 N ATOM 1147 CA THR A 71 5.109 -39.332 -17.905 1.00 5.24 C ATOM 1148 C THR A 71 6.533 -38.860 -18.243 1.00 13.00 C ATOM 1149 O THR A 71 6.740 -38.330 -19.334 1.00 1.03 O ATOM 1150 CB THR A 71 4.596 -40.319 -18.965 1.00 62.34 C ATOM 1151 OG1 THR A 71 3.263 -40.687 -18.669 1.00 61.23 O ATOM 1152 CG2 THR A 71 5.451 -41.593 -18.985 1.00 42.14 C ATOM 0 H THR A 71 3.928 -37.842 -18.760 1.00 65.23 H new ATOM 0 HA THR A 71 5.125 -39.842 -16.942 1.00 5.24 H new ATOM 0 HB THR A 71 4.652 -39.828 -19.936 1.00 62.34 H new ATOM 0 HG1 THR A 71 2.939 -41.315 -19.348 1.00 61.23 H new ATOM 0 HG21 THR A 71 5.068 -42.276 -19.743 1.00 42.14 H new ATOM 0 HG22 THR A 71 6.484 -41.334 -19.218 1.00 42.14 H new ATOM 0 HG23 THR A 71 5.409 -42.075 -18.008 1.00 42.14 H new ATOM 1160 N PRO A 72 7.522 -39.057 -17.353 1.00 54.35 N ATOM 1161 CA PRO A 72 8.917 -38.732 -17.609 1.00 33.21 C ATOM 1162 C PRO A 72 9.558 -39.853 -18.437 1.00 72.53 C ATOM 1163 O PRO A 72 10.277 -40.695 -17.900 1.00 73.21 O ATOM 1164 CB PRO A 72 9.548 -38.602 -16.220 1.00 11.11 C ATOM 1165 CG PRO A 72 8.756 -39.611 -15.386 1.00 43.03 C ATOM 1166 CD PRO A 72 7.361 -39.590 -16.011 1.00 2.31 C ATOM 0 HA PRO A 72 9.053 -37.815 -18.182 1.00 33.21 H new ATOM 0 HB2 PRO A 72 10.612 -38.839 -16.236 1.00 11.11 H new ATOM 0 HB3 PRO A 72 9.453 -37.590 -15.827 1.00 11.11 H new ATOM 0 HG2 PRO A 72 9.200 -40.605 -15.434 1.00 43.03 H new ATOM 0 HG3 PRO A 72 8.727 -39.325 -14.335 1.00 43.03 H new ATOM 0 HD2 PRO A 72 6.933 -40.592 -16.040 1.00 2.31 H new ATOM 0 HD3 PRO A 72 6.682 -38.970 -15.425 1.00 2.31 H new ATOM 1174 N THR A 73 9.280 -39.872 -19.748 1.00 23.51 N ATOM 1175 CA THR A 73 9.741 -40.920 -20.649 1.00 34.52 C ATOM 1176 C THR A 73 11.260 -40.829 -20.833 1.00 61.24 C ATOM 1177 O THR A 73 11.993 -41.634 -20.258 1.00 2.31 O ATOM 1178 CB THR A 73 8.961 -40.853 -21.974 1.00 32.24 C ATOM 1179 OG1 THR A 73 7.573 -40.886 -21.711 1.00 74.23 O ATOM 1180 CG2 THR A 73 9.314 -42.032 -22.888 1.00 60.42 C ATOM 0 H THR A 73 8.724 -39.152 -20.210 1.00 23.51 H new ATOM 0 HA THR A 73 9.541 -41.900 -20.217 1.00 34.52 H new ATOM 0 HB THR A 73 9.233 -39.924 -22.475 1.00 32.24 H new ATOM 0 HG1 THR A 73 7.079 -40.841 -22.556 1.00 74.23 H new ATOM 0 HG21 THR A 73 8.747 -41.956 -23.816 1.00 60.42 H new ATOM 0 HG22 THR A 73 10.380 -42.012 -23.112 1.00 60.42 H new ATOM 0 HG23 THR A 73 9.066 -42.968 -22.387 1.00 60.42 H new ATOM 1188 N GLU A 74 11.732 -39.859 -21.628 1.00 61.42 N ATOM 1189 CA GLU A 74 13.149 -39.596 -21.846 1.00 53.21 C ATOM 1190 C GLU A 74 13.288 -38.260 -22.574 1.00 11.21 C ATOM 1191 O GLU A 74 12.427 -37.897 -23.375 1.00 24.50 O ATOM 1192 CB GLU A 74 13.810 -40.731 -22.656 1.00 51.32 C ATOM 1193 CG GLU A 74 15.153 -41.201 -22.075 1.00 14.25 C ATOM 1194 CD GLU A 74 16.267 -40.159 -22.174 1.00 3.42 C ATOM 1195 OE1 GLU A 74 16.382 -39.348 -21.229 1.00 31.14 O ATOM 1196 OE2 GLU A 74 16.997 -40.200 -23.188 1.00 31.42 O ATOM 0 H GLU A 74 11.122 -39.226 -22.145 1.00 61.42 H new ATOM 0 HA GLU A 74 13.660 -39.549 -20.884 1.00 53.21 H new ATOM 0 HB2 GLU A 74 13.127 -41.579 -22.701 1.00 51.32 H new ATOM 0 HB3 GLU A 74 13.966 -40.392 -23.680 1.00 51.32 H new ATOM 0 HG2 GLU A 74 15.011 -41.469 -21.028 1.00 14.25 H new ATOM 0 HG3 GLU A 74 15.467 -42.105 -22.596 1.00 14.25 H new ATOM 1203 N LYS A 75 14.380 -37.538 -22.294 1.00 61.42 N ATOM 1204 CA LYS A 75 14.706 -36.246 -22.886 1.00 63.13 C ATOM 1205 C LYS A 75 13.616 -35.204 -22.606 1.00 2.24 C ATOM 1206 O LYS A 75 13.391 -34.305 -23.416 1.00 31.13 O ATOM 1207 CB LYS A 75 14.993 -36.391 -24.390 1.00 22.24 C ATOM 1208 CG LYS A 75 15.941 -37.559 -24.685 1.00 13.45 C ATOM 1209 CD LYS A 75 16.460 -37.477 -26.123 1.00 4.01 C ATOM 1210 CE LYS A 75 17.132 -38.785 -26.554 1.00 74.24 C ATOM 1211 NZ LYS A 75 18.230 -39.172 -25.652 1.00 52.22 N ATOM 0 H LYS A 75 15.082 -37.853 -21.625 1.00 61.42 H new ATOM 0 HA LYS A 75 15.616 -35.879 -22.412 1.00 63.13 H new ATOM 0 HB2 LYS A 75 14.055 -36.542 -24.925 1.00 22.24 H new ATOM 0 HB3 LYS A 75 15.430 -35.466 -24.766 1.00 22.24 H new ATOM 0 HG2 LYS A 75 16.779 -37.540 -23.988 1.00 13.45 H new ATOM 0 HG3 LYS A 75 15.421 -38.505 -24.533 1.00 13.45 H new ATOM 0 HD2 LYS A 75 15.633 -37.252 -26.797 1.00 4.01 H new ATOM 0 HD3 LYS A 75 17.172 -36.656 -26.207 1.00 4.01 H new ATOM 0 HE2 LYS A 75 16.388 -39.582 -26.580 1.00 74.24 H new ATOM 0 HE3 LYS A 75 17.518 -38.676 -27.567 1.00 74.24 H new ATOM 0 HZ1 LYS A 75 18.812 -39.904 -26.108 1.00 52.22 H new ATOM 0 HZ2 LYS A 75 18.819 -38.340 -25.445 1.00 52.22 H new ATOM 0 HZ3 LYS A 75 17.835 -39.546 -24.765 1.00 52.22 H new ATOM 1225 N ASP A 76 12.934 -35.345 -21.463 1.00 53.04 N ATOM 1226 CA ASP A 76 11.800 -34.530 -21.060 1.00 54.03 C ATOM 1227 C ASP A 76 12.252 -33.403 -20.133 1.00 73.12 C ATOM 1228 O ASP A 76 13.284 -33.507 -19.471 1.00 31.20 O ATOM 1229 CB ASP A 76 10.754 -35.420 -20.374 1.00 71.31 C ATOM 1230 CG ASP A 76 11.335 -36.221 -19.206 1.00 11.22 C ATOM 1231 OD1 ASP A 76 11.598 -37.424 -19.420 1.00 32.10 O ATOM 1232 OD2 ASP A 76 11.515 -35.618 -18.125 1.00 21.43 O ATOM 0 H ASP A 76 13.172 -36.058 -20.774 1.00 53.04 H new ATOM 0 HA ASP A 76 11.352 -34.073 -21.942 1.00 54.03 H new ATOM 0 HB2 ASP A 76 9.935 -34.798 -20.011 1.00 71.31 H new ATOM 0 HB3 ASP A 76 10.331 -36.108 -21.106 1.00 71.31 H new ATOM 1237 N GLU A 77 11.452 -32.333 -20.078 1.00 13.55 N ATOM 1238 CA GLU A 77 11.626 -31.239 -19.141 1.00 40.33 C ATOM 1239 C GLU A 77 10.263 -30.617 -18.841 1.00 34.42 C ATOM 1240 O GLU A 77 9.500 -30.312 -19.756 1.00 62.11 O ATOM 1241 CB GLU A 77 12.661 -30.227 -19.663 1.00 23.42 C ATOM 1242 CG GLU A 77 12.172 -29.330 -20.814 1.00 53.22 C ATOM 1243 CD GLU A 77 11.417 -28.086 -20.338 1.00 14.24 C ATOM 1244 OE1 GLU A 77 11.950 -27.407 -19.433 1.00 75.21 O ATOM 1245 OE2 GLU A 77 10.329 -27.822 -20.895 1.00 61.44 O ATOM 0 H GLU A 77 10.653 -32.209 -20.699 1.00 13.55 H new ATOM 0 HA GLU A 77 12.031 -31.610 -18.200 1.00 40.33 H new ATOM 0 HB2 GLU A 77 12.974 -29.591 -18.835 1.00 23.42 H new ATOM 0 HB3 GLU A 77 13.543 -30.773 -19.998 1.00 23.42 H new ATOM 0 HG2 GLU A 77 13.029 -29.019 -21.411 1.00 53.22 H new ATOM 0 HG3 GLU A 77 11.522 -29.912 -21.467 1.00 53.22 H new ATOM 1252 N TYR A 78 9.953 -30.474 -17.551 1.00 71.21 N ATOM 1253 CA TYR A 78 8.705 -29.914 -17.057 1.00 15.22 C ATOM 1254 C TYR A 78 9.007 -28.547 -16.451 1.00 0.30 C ATOM 1255 O TYR A 78 9.895 -28.443 -15.606 1.00 40.25 O ATOM 1256 CB TYR A 78 8.111 -30.897 -16.041 1.00 62.44 C ATOM 1257 CG TYR A 78 7.692 -32.194 -16.708 1.00 71.14 C ATOM 1258 CD1 TYR A 78 6.495 -32.227 -17.444 1.00 12.04 C ATOM 1259 CD2 TYR A 78 8.617 -33.246 -16.846 1.00 32.40 C ATOM 1260 CE1 TYR A 78 6.254 -33.274 -18.349 1.00 63.32 C ATOM 1261 CE2 TYR A 78 8.336 -34.334 -17.688 1.00 43.11 C ATOM 1262 CZ TYR A 78 7.174 -34.327 -18.476 1.00 32.12 C ATOM 1263 OH TYR A 78 6.932 -35.348 -19.350 1.00 31.51 O ATOM 0 H TYR A 78 10.587 -30.755 -16.803 1.00 71.21 H new ATOM 0 HA TYR A 78 7.970 -29.771 -17.849 1.00 15.22 H new ATOM 0 HB2 TYR A 78 8.845 -31.106 -15.263 1.00 62.44 H new ATOM 0 HB3 TYR A 78 7.249 -30.442 -15.553 1.00 62.44 H new ATOM 0 HD1 TYR A 78 5.760 -31.447 -17.314 1.00 12.04 H new ATOM 0 HD2 TYR A 78 9.549 -33.216 -16.301 1.00 32.40 H new ATOM 0 HE1 TYR A 78 5.357 -33.269 -18.950 1.00 63.32 H new ATOM 0 HE2 TYR A 78 9.013 -35.175 -17.729 1.00 43.11 H new ATOM 0 HH TYR A 78 6.972 -36.203 -18.873 1.00 31.51 H new ATOM 1273 N ALA A 79 8.311 -27.499 -16.912 1.00 51.21 N ATOM 1274 CA ALA A 79 8.642 -26.125 -16.560 1.00 41.23 C ATOM 1275 C ALA A 79 7.389 -25.304 -16.281 1.00 62.24 C ATOM 1276 O ALA A 79 6.574 -25.091 -17.177 1.00 1.34 O ATOM 1277 CB ALA A 79 9.473 -25.494 -17.679 1.00 24.31 C ATOM 0 H ALA A 79 7.508 -27.586 -17.535 1.00 51.21 H new ATOM 0 HA ALA A 79 9.230 -26.134 -15.642 1.00 41.23 H new ATOM 0 HB1 ALA A 79 9.720 -24.466 -17.414 1.00 24.31 H new ATOM 0 HB2 ALA A 79 10.392 -26.064 -17.815 1.00 24.31 H new ATOM 0 HB3 ALA A 79 8.900 -25.502 -18.606 1.00 24.31 H new ATOM 1283 N CYS A 80 7.258 -24.817 -15.041 1.00 53.43 N ATOM 1284 CA CYS A 80 6.167 -23.954 -14.624 1.00 31.10 C ATOM 1285 C CYS A 80 6.548 -22.502 -14.939 1.00 3.24 C ATOM 1286 O CYS A 80 7.531 -21.995 -14.403 1.00 51.25 O ATOM 1287 CB CYS A 80 5.870 -24.196 -13.138 1.00 51.52 C ATOM 1288 SG CYS A 80 4.232 -23.645 -12.601 1.00 44.21 S ATOM 0 H CYS A 80 7.922 -25.020 -14.294 1.00 53.43 H new ATOM 0 HA CYS A 80 5.248 -24.176 -15.166 1.00 31.10 H new ATOM 0 HB2 CYS A 80 5.967 -25.261 -12.930 1.00 51.52 H new ATOM 0 HB3 CYS A 80 6.625 -23.684 -12.541 1.00 51.52 H new ATOM 1293 N ARG A 81 5.799 -21.860 -15.846 1.00 24.21 N ATOM 1294 CA ARG A 81 6.067 -20.527 -16.379 1.00 44.34 C ATOM 1295 C ARG A 81 5.228 -19.530 -15.588 1.00 45.32 C ATOM 1296 O ARG A 81 4.092 -19.237 -15.960 1.00 2.32 O ATOM 1297 CB ARG A 81 5.724 -20.521 -17.876 1.00 13.35 C ATOM 1298 CG ARG A 81 5.914 -19.159 -18.560 1.00 22.11 C ATOM 1299 CD ARG A 81 5.731 -19.319 -20.075 1.00 44.14 C ATOM 1300 NE ARG A 81 5.978 -18.071 -20.813 1.00 62.21 N ATOM 1301 CZ ARG A 81 5.119 -17.045 -20.947 1.00 20.13 C ATOM 1302 NH1 ARG A 81 3.914 -17.062 -20.362 1.00 42.32 N ATOM 1303 NH2 ARG A 81 5.478 -15.980 -21.677 1.00 74.23 N ATOM 0 H ARG A 81 4.956 -22.277 -16.241 1.00 24.21 H new ATOM 0 HA ARG A 81 7.116 -20.248 -16.279 1.00 44.34 H new ATOM 0 HB2 ARG A 81 6.346 -21.259 -18.383 1.00 13.35 H new ATOM 0 HB3 ARG A 81 4.688 -20.837 -18.001 1.00 13.35 H new ATOM 0 HG2 ARG A 81 5.194 -18.440 -18.170 1.00 22.11 H new ATOM 0 HG3 ARG A 81 6.907 -18.766 -18.342 1.00 22.11 H new ATOM 0 HD2 ARG A 81 6.409 -20.091 -20.439 1.00 44.14 H new ATOM 0 HD3 ARG A 81 4.717 -19.662 -20.280 1.00 44.14 H new ATOM 0 HE ARG A 81 6.887 -17.975 -21.266 1.00 62.21 H new ATOM 0 HH11 ARG A 81 3.631 -17.865 -19.800 1.00 42.32 H new ATOM 0 HH12 ARG A 81 3.280 -16.272 -20.478 1.00 42.32 H new ATOM 0 HH21 ARG A 81 6.394 -15.954 -22.124 1.00 74.23 H new ATOM 0 HH22 ARG A 81 4.835 -15.196 -21.786 1.00 74.23 H new ATOM 1317 N VAL A 82 5.779 -19.047 -14.469 1.00 13.34 N ATOM 1318 CA VAL A 82 5.022 -18.315 -13.466 1.00 0.10 C ATOM 1319 C VAL A 82 5.089 -16.817 -13.776 1.00 20.13 C ATOM 1320 O VAL A 82 5.767 -16.064 -13.080 1.00 20.54 O ATOM 1321 CB VAL A 82 5.527 -18.684 -12.055 1.00 32.52 C ATOM 1322 CG1 VAL A 82 4.594 -18.118 -10.978 1.00 32.43 C ATOM 1323 CG2 VAL A 82 5.589 -20.207 -11.871 1.00 20.15 C ATOM 0 H VAL A 82 6.767 -19.157 -14.239 1.00 13.34 H new ATOM 0 HA VAL A 82 3.969 -18.594 -13.492 1.00 0.10 H new ATOM 0 HB VAL A 82 6.524 -18.257 -11.953 1.00 32.52 H new ATOM 0 HG11 VAL A 82 4.969 -18.390 -9.992 1.00 32.43 H new ATOM 0 HG12 VAL A 82 4.555 -17.032 -11.064 1.00 32.43 H new ATOM 0 HG13 VAL A 82 3.593 -18.529 -11.111 1.00 32.43 H new ATOM 0 HG21 VAL A 82 5.948 -20.438 -10.868 1.00 20.15 H new ATOM 0 HG22 VAL A 82 4.594 -20.631 -12.007 1.00 20.15 H new ATOM 0 HG23 VAL A 82 6.269 -20.635 -12.607 1.00 20.15 H new ATOM 1333 N ASN A 83 4.358 -16.379 -14.810 1.00 61.21 N ATOM 1334 CA ASN A 83 4.161 -14.961 -15.076 1.00 1.33 C ATOM 1335 C ASN A 83 3.178 -14.404 -14.047 1.00 73.11 C ATOM 1336 O ASN A 83 2.360 -15.138 -13.495 1.00 74.54 O ATOM 1337 CB ASN A 83 3.667 -14.725 -16.510 1.00 74.15 C ATOM 1338 CG ASN A 83 4.804 -14.775 -17.518 1.00 54.14 C ATOM 1339 OD1 ASN A 83 5.147 -15.849 -18.003 1.00 62.35 O ATOM 1340 ND2 ASN A 83 5.386 -13.616 -17.840 1.00 71.11 N ATOM 0 H ASN A 83 3.894 -16.997 -15.476 1.00 61.21 H new ATOM 0 HA ASN A 83 5.113 -14.438 -14.986 1.00 1.33 H new ATOM 0 HB2 ASN A 83 2.922 -15.479 -16.766 1.00 74.15 H new ATOM 0 HB3 ASN A 83 3.173 -13.755 -16.568 1.00 74.15 H new ATOM 0 HD21 ASN A 83 6.150 -13.599 -18.516 1.00 71.11 H new ATOM 0 HD22 ASN A 83 5.066 -12.748 -17.410 1.00 71.11 H new ATOM 1347 N HIS A 84 3.298 -13.104 -13.772 1.00 0.00 N ATOM 1348 CA HIS A 84 2.527 -12.379 -12.774 1.00 0.00 C ATOM 1349 C HIS A 84 2.642 -10.893 -13.112 1.00 0.00 C ATOM 1350 O HIS A 84 3.529 -10.499 -13.867 1.00 0.00 O ATOM 1351 CB HIS A 84 3.087 -12.695 -11.376 1.00 0.00 C ATOM 1352 CG HIS A 84 2.350 -12.069 -10.218 1.00 0.00 C ATOM 1353 ND1 HIS A 84 3.002 -11.204 -9.341 1.00 0.00 N ATOM 1354 CD2 HIS A 84 1.064 -12.250 -9.778 1.00 0.00 C ATOM 1355 CE1 HIS A 84 2.093 -10.901 -8.411 1.00 0.00 C ATOM 1356 NE2 HIS A 84 0.911 -11.499 -8.629 1.00 0.00 N ATOM 0 H HIS A 84 3.964 -12.507 -14.262 1.00 0.00 H new ATOM 0 HA HIS A 84 1.477 -12.670 -12.775 1.00 0.00 H new ATOM 0 HB2 HIS A 84 3.087 -13.777 -11.241 1.00 0.00 H new ATOM 0 HB3 HIS A 84 4.127 -12.370 -11.339 1.00 0.00 H new ATOM 0 HD2 HIS A 84 0.310 -12.866 -10.244 1.00 0.00 H new ATOM 0 HE1 HIS A 84 2.288 -10.246 -7.574 1.00 0.00 H new ATOM 0 HE2 HIS A 84 0.069 -11.415 -8.060 1.00 0.00 H new ATOM 1364 N VAL A 85 1.747 -10.062 -12.568 1.00 52.41 N ATOM 1365 CA VAL A 85 1.741 -8.631 -12.846 1.00 32.13 C ATOM 1366 C VAL A 85 3.079 -7.979 -12.463 1.00 62.44 C ATOM 1367 O VAL A 85 3.564 -7.114 -13.191 1.00 31.43 O ATOM 1368 CB VAL A 85 0.520 -7.966 -12.191 1.00 11.14 C ATOM 1369 CG1 VAL A 85 0.608 -7.954 -10.662 1.00 43.32 C ATOM 1370 CG2 VAL A 85 0.316 -6.538 -12.708 1.00 35.32 C ATOM 0 H VAL A 85 1.013 -10.364 -11.927 1.00 52.41 H new ATOM 0 HA VAL A 85 1.641 -8.476 -13.920 1.00 32.13 H new ATOM 0 HB VAL A 85 -0.341 -8.573 -12.472 1.00 11.14 H new ATOM 0 HG11 VAL A 85 -0.279 -7.473 -10.250 1.00 43.32 H new ATOM 0 HG12 VAL A 85 0.670 -8.978 -10.293 1.00 43.32 H new ATOM 0 HG13 VAL A 85 1.496 -7.402 -10.353 1.00 43.32 H new ATOM 0 HG21 VAL A 85 -0.556 -6.097 -12.224 1.00 35.32 H new ATOM 0 HG22 VAL A 85 1.198 -5.939 -12.481 1.00 35.32 H new ATOM 0 HG23 VAL A 85 0.160 -6.560 -13.787 1.00 35.32 H new ATOM 1380 N THR A 86 3.695 -8.418 -11.354 1.00 64.52 N ATOM 1381 CA THR A 86 5.022 -7.969 -10.952 1.00 0.11 C ATOM 1382 C THR A 86 6.087 -8.585 -11.862 1.00 3.44 C ATOM 1383 O THR A 86 6.963 -7.874 -12.353 1.00 21.52 O ATOM 1384 CB THR A 86 5.301 -8.299 -9.476 1.00 51.43 C ATOM 1385 OG1 THR A 86 5.438 -9.688 -9.266 1.00 73.42 O ATOM 1386 CG2 THR A 86 4.209 -7.765 -8.548 1.00 4.24 C ATOM 0 H THR A 86 3.279 -9.096 -10.715 1.00 64.52 H new ATOM 0 HA THR A 86 5.061 -6.885 -11.057 1.00 0.11 H new ATOM 0 HB THR A 86 6.242 -7.804 -9.235 1.00 51.43 H new ATOM 0 HG1 THR A 86 4.558 -10.116 -9.325 1.00 73.42 H new ATOM 0 HG21 THR A 86 4.450 -8.023 -7.517 1.00 4.24 H new ATOM 0 HG22 THR A 86 4.146 -6.681 -8.646 1.00 4.24 H new ATOM 0 HG23 THR A 86 3.252 -8.210 -8.819 1.00 4.24 H new ATOM 1394 N LEU A 87 6.005 -9.906 -12.082 1.00 40.11 N ATOM 1395 CA LEU A 87 6.939 -10.657 -12.906 1.00 24.32 C ATOM 1396 C LEU A 87 6.599 -10.444 -14.381 1.00 5.20 C ATOM 1397 O LEU A 87 6.032 -11.322 -15.031 1.00 75.34 O ATOM 1398 CB LEU A 87 6.904 -12.152 -12.551 1.00 33.31 C ATOM 1399 CG LEU A 87 7.135 -12.476 -11.064 1.00 35.44 C ATOM 1400 CD1 LEU A 87 6.844 -13.962 -10.826 1.00 12.02 C ATOM 1401 CD2 LEU A 87 8.573 -12.164 -10.635 1.00 33.25 C ATOM 0 H LEU A 87 5.269 -10.486 -11.679 1.00 40.11 H new ATOM 0 HA LEU A 87 7.950 -10.296 -12.715 1.00 24.32 H new ATOM 0 HB2 LEU A 87 5.937 -12.558 -12.849 1.00 33.31 H new ATOM 0 HB3 LEU A 87 7.662 -12.667 -13.141 1.00 33.31 H new ATOM 0 HG LEU A 87 6.465 -11.854 -10.470 1.00 35.44 H new ATOM 0 HD11 LEU A 87 7.005 -14.200 -9.775 1.00 12.02 H new ATOM 0 HD12 LEU A 87 5.809 -14.177 -11.092 1.00 12.02 H new ATOM 0 HD13 LEU A 87 7.510 -14.566 -11.441 1.00 12.02 H new ATOM 0 HD21 LEU A 87 8.698 -12.405 -9.579 1.00 33.25 H new ATOM 0 HD22 LEU A 87 9.267 -12.759 -11.228 1.00 33.25 H new ATOM 0 HD23 LEU A 87 8.778 -11.105 -10.792 1.00 33.25 H new ATOM 1413 N SER A 88 6.988 -9.279 -14.911 1.00 2.02 N ATOM 1414 CA SER A 88 6.902 -8.955 -16.327 1.00 14.14 C ATOM 1415 C SER A 88 7.577 -10.036 -17.180 1.00 13.12 C ATOM 1416 O SER A 88 7.128 -10.309 -18.292 1.00 43.44 O ATOM 1417 CB SER A 88 7.554 -7.589 -16.567 1.00 33.44 C ATOM 1418 OG SER A 88 7.402 -7.202 -17.916 1.00 2.03 O ATOM 0 H SER A 88 7.379 -8.523 -14.349 1.00 2.02 H new ATOM 0 HA SER A 88 5.854 -8.914 -16.622 1.00 14.14 H new ATOM 0 HB2 SER A 88 7.101 -6.843 -15.915 1.00 33.44 H new ATOM 0 HB3 SER A 88 8.613 -7.634 -16.312 1.00 33.44 H new ATOM 0 HG SER A 88 7.822 -6.327 -18.055 1.00 2.03 H new ATOM 1424 N GLN A 89 8.650 -10.644 -16.657 1.00 15.23 N ATOM 1425 CA GLN A 89 9.412 -11.670 -17.348 1.00 14.43 C ATOM 1426 C GLN A 89 8.821 -13.048 -17.038 1.00 40.11 C ATOM 1427 O GLN A 89 8.338 -13.265 -15.927 1.00 63.44 O ATOM 1428 CB GLN A 89 10.880 -11.611 -16.905 1.00 43.34 C ATOM 1429 CG GLN A 89 11.541 -10.297 -17.341 1.00 41.04 C ATOM 1430 CD GLN A 89 13.050 -10.311 -17.102 1.00 12.42 C ATOM 1431 OE1 GLN A 89 13.514 -10.758 -16.055 1.00 71.23 O ATOM 1432 NE2 GLN A 89 13.821 -9.824 -18.077 1.00 24.50 N ATOM 0 H GLN A 89 9.011 -10.427 -15.728 1.00 15.23 H new ATOM 0 HA GLN A 89 9.361 -11.497 -18.423 1.00 14.43 H new ATOM 0 HB2 GLN A 89 10.939 -11.708 -15.821 1.00 43.34 H new ATOM 0 HB3 GLN A 89 11.425 -12.454 -17.331 1.00 43.34 H new ATOM 0 HG2 GLN A 89 11.343 -10.125 -18.399 1.00 41.04 H new ATOM 0 HG3 GLN A 89 11.094 -9.467 -16.793 1.00 41.04 H new ATOM 0 HE21 GLN A 89 13.396 -9.462 -18.931 1.00 24.50 H new ATOM 0 HE22 GLN A 89 14.835 -9.814 -17.968 1.00 24.50 H new ATOM 1441 N PRO A 90 8.868 -13.993 -17.992 1.00 0.23 N ATOM 1442 CA PRO A 90 8.435 -15.359 -17.771 1.00 43.22 C ATOM 1443 C PRO A 90 9.410 -16.066 -16.834 1.00 72.15 C ATOM 1444 O PRO A 90 10.590 -16.212 -17.148 1.00 53.02 O ATOM 1445 CB PRO A 90 8.374 -16.002 -19.156 1.00 43.41 C ATOM 1446 CG PRO A 90 9.427 -15.232 -19.949 1.00 64.15 C ATOM 1447 CD PRO A 90 9.348 -13.824 -19.355 1.00 4.23 C ATOM 0 HA PRO A 90 7.460 -15.422 -17.288 1.00 43.22 H new ATOM 0 HB2 PRO A 90 8.601 -17.067 -19.115 1.00 43.41 H new ATOM 0 HB3 PRO A 90 7.384 -15.904 -19.601 1.00 43.41 H new ATOM 0 HG2 PRO A 90 10.420 -15.666 -19.828 1.00 64.15 H new ATOM 0 HG3 PRO A 90 9.207 -15.232 -21.017 1.00 64.15 H new ATOM 0 HD2 PRO A 90 10.324 -13.339 -19.368 1.00 4.23 H new ATOM 0 HD3 PRO A 90 8.671 -13.194 -19.932 1.00 4.23 H new ATOM 1455 N LYS A 91 8.900 -16.483 -15.670 1.00 40.35 N ATOM 1456 CA LYS A 91 9.674 -17.154 -14.645 1.00 32.15 C ATOM 1457 C LYS A 91 9.650 -18.648 -14.963 1.00 54.04 C ATOM 1458 O LYS A 91 8.812 -19.380 -14.442 1.00 54.14 O ATOM 1459 CB LYS A 91 9.073 -16.802 -13.279 1.00 23.24 C ATOM 1460 CG LYS A 91 9.900 -17.323 -12.100 1.00 4.32 C ATOM 1461 CD LYS A 91 9.296 -16.806 -10.789 1.00 71.24 C ATOM 1462 CE LYS A 91 10.099 -17.274 -9.575 1.00 21.21 C ATOM 1463 NZ LYS A 91 9.447 -16.865 -8.319 1.00 0.24 N ATOM 0 H LYS A 91 7.919 -16.357 -15.419 1.00 40.35 H new ATOM 0 HA LYS A 91 10.717 -16.838 -14.618 1.00 32.15 H new ATOM 0 HB2 LYS A 91 8.981 -15.719 -13.199 1.00 23.24 H new ATOM 0 HB3 LYS A 91 8.065 -17.213 -13.217 1.00 23.24 H new ATOM 0 HG2 LYS A 91 9.912 -18.413 -12.103 1.00 4.32 H new ATOM 0 HG3 LYS A 91 10.935 -16.992 -12.192 1.00 4.32 H new ATOM 0 HD2 LYS A 91 9.265 -15.717 -10.807 1.00 71.24 H new ATOM 0 HD3 LYS A 91 8.266 -17.153 -10.701 1.00 71.24 H new ATOM 0 HE2 LYS A 91 10.201 -18.359 -9.599 1.00 21.21 H new ATOM 0 HE3 LYS A 91 11.106 -16.858 -9.618 1.00 21.21 H new ATOM 0 HZ1 LYS A 91 10.012 -17.195 -7.511 1.00 0.24 H new ATOM 0 HZ2 LYS A 91 9.372 -15.828 -8.288 1.00 0.24 H new ATOM 0 HZ3 LYS A 91 8.496 -17.283 -8.270 1.00 0.24 H new ATOM 1477 N ILE A 92 10.557 -19.077 -15.849 1.00 71.23 N ATOM 1478 CA ILE A 92 10.680 -20.454 -16.305 1.00 0.51 C ATOM 1479 C ILE A 92 11.349 -21.263 -15.190 1.00 1.51 C ATOM 1480 O ILE A 92 12.574 -21.382 -15.155 1.00 12.05 O ATOM 1481 CB ILE A 92 11.474 -20.500 -17.631 1.00 24.20 C ATOM 1482 CG1 ILE A 92 10.871 -19.615 -18.741 1.00 34.23 C ATOM 1483 CG2 ILE A 92 11.621 -21.941 -18.145 1.00 14.01 C ATOM 1484 CD1 ILE A 92 9.474 -20.040 -19.205 1.00 25.11 C ATOM 0 H ILE A 92 11.242 -18.453 -16.276 1.00 71.23 H new ATOM 0 HA ILE A 92 9.703 -20.891 -16.512 1.00 0.51 H new ATOM 0 HB ILE A 92 12.457 -20.094 -17.392 1.00 24.20 H new ATOM 0 HG12 ILE A 92 10.824 -18.587 -18.382 1.00 34.23 H new ATOM 0 HG13 ILE A 92 11.543 -19.623 -19.599 1.00 34.23 H new ATOM 0 HG21 ILE A 92 12.184 -21.939 -19.078 1.00 14.01 H new ATOM 0 HG22 ILE A 92 12.150 -22.540 -17.404 1.00 14.01 H new ATOM 0 HG23 ILE A 92 10.633 -22.368 -18.318 1.00 14.01 H new ATOM 0 HD11 ILE A 92 9.128 -19.363 -19.986 1.00 25.11 H new ATOM 0 HD12 ILE A 92 9.514 -21.056 -19.598 1.00 25.11 H new ATOM 0 HD13 ILE A 92 8.784 -20.004 -18.362 1.00 25.11 H new ATOM 1496 N VAL A 93 10.542 -21.805 -14.268 1.00 2.44 N ATOM 1497 CA VAL A 93 11.039 -22.612 -13.163 1.00 35.52 C ATOM 1498 C VAL A 93 11.421 -23.988 -13.701 1.00 20.33 C ATOM 1499 O VAL A 93 10.750 -24.509 -14.589 1.00 64.34 O ATOM 1500 CB VAL A 93 9.997 -22.735 -12.038 1.00 61.32 C ATOM 1501 CG1 VAL A 93 10.634 -23.411 -10.814 1.00 23.43 C ATOM 1502 CG2 VAL A 93 9.455 -21.376 -11.600 1.00 23.54 C ATOM 0 H VAL A 93 9.528 -21.692 -14.274 1.00 2.44 H new ATOM 0 HA VAL A 93 11.913 -22.126 -12.730 1.00 35.52 H new ATOM 0 HB VAL A 93 9.172 -23.328 -12.432 1.00 61.32 H new ATOM 0 HG11 VAL A 93 9.893 -23.497 -10.019 1.00 23.43 H new ATOM 0 HG12 VAL A 93 10.987 -24.405 -11.090 1.00 23.43 H new ATOM 0 HG13 VAL A 93 11.475 -22.812 -10.464 1.00 23.43 H new ATOM 0 HG21 VAL A 93 8.723 -21.515 -10.804 1.00 23.54 H new ATOM 0 HG22 VAL A 93 10.275 -20.758 -11.235 1.00 23.54 H new ATOM 0 HG23 VAL A 93 8.979 -20.883 -12.448 1.00 23.54 H new ATOM 1512 N LYS A 94 12.504 -24.561 -13.167 1.00 24.30 N ATOM 1513 CA LYS A 94 13.024 -25.856 -13.567 1.00 0.20 C ATOM 1514 C LYS A 94 12.645 -26.876 -12.495 1.00 11.24 C ATOM 1515 O LYS A 94 13.241 -26.877 -11.419 1.00 63.41 O ATOM 1516 CB LYS A 94 14.545 -25.759 -13.752 1.00 20.14 C ATOM 1517 CG LYS A 94 14.900 -24.743 -14.845 1.00 5.51 C ATOM 1518 CD LYS A 94 16.419 -24.668 -15.036 1.00 2.55 C ATOM 1519 CE LYS A 94 16.813 -23.549 -16.008 1.00 11.54 C ATOM 1520 NZ LYS A 94 16.304 -23.791 -17.369 1.00 43.52 N ATOM 0 H LYS A 94 13.051 -24.120 -12.427 1.00 24.30 H new ATOM 0 HA LYS A 94 12.597 -26.175 -14.518 1.00 0.20 H new ATOM 0 HB2 LYS A 94 15.012 -25.465 -12.812 1.00 20.14 H new ATOM 0 HB3 LYS A 94 14.946 -26.738 -14.015 1.00 20.14 H new ATOM 0 HG2 LYS A 94 14.423 -25.028 -15.783 1.00 5.51 H new ATOM 0 HG3 LYS A 94 14.512 -23.760 -14.576 1.00 5.51 H new ATOM 0 HD2 LYS A 94 16.899 -24.499 -14.072 1.00 2.55 H new ATOM 0 HD3 LYS A 94 16.786 -25.623 -15.412 1.00 2.55 H new ATOM 0 HE2 LYS A 94 16.427 -22.598 -15.641 1.00 11.54 H new ATOM 0 HE3 LYS A 94 17.899 -23.462 -16.038 1.00 11.54 H new ATOM 0 HZ1 LYS A 94 16.650 -23.046 -18.007 1.00 43.52 H new ATOM 0 HZ2 LYS A 94 16.638 -24.717 -17.705 1.00 43.52 H new ATOM 0 HZ3 LYS A 94 15.264 -23.781 -17.358 1.00 43.52 H new ATOM 1534 N TRP A 95 11.648 -27.722 -12.798 1.00 32.43 N ATOM 1535 CA TRP A 95 11.163 -28.804 -11.947 1.00 1.23 C ATOM 1536 C TRP A 95 12.324 -29.569 -11.301 1.00 22.41 C ATOM 1537 O TRP A 95 13.108 -30.214 -11.996 1.00 44.12 O ATOM 1538 CB TRP A 95 10.292 -29.746 -12.787 1.00 40.23 C ATOM 1539 CG TRP A 95 9.919 -31.054 -12.158 1.00 2.43 C ATOM 1540 CD1 TRP A 95 9.340 -31.226 -10.951 1.00 33.12 C ATOM 1541 CD2 TRP A 95 10.127 -32.395 -12.687 1.00 72.12 C ATOM 1542 NE1 TRP A 95 9.208 -32.570 -10.677 1.00 53.21 N ATOM 1543 CE2 TRP A 95 9.678 -33.341 -11.722 1.00 44.14 C ATOM 1544 CE3 TRP A 95 10.667 -32.905 -13.885 1.00 2.04 C ATOM 1545 CZ2 TRP A 95 9.772 -34.725 -11.932 1.00 42.44 C ATOM 1546 CZ3 TRP A 95 10.751 -34.293 -14.114 1.00 51.22 C ATOM 1547 CH2 TRP A 95 10.299 -35.203 -13.142 1.00 23.32 C ATOM 0 H TRP A 95 11.141 -27.663 -13.681 1.00 32.43 H new ATOM 0 HA TRP A 95 10.568 -28.380 -11.138 1.00 1.23 H new ATOM 0 HB2 TRP A 95 9.374 -29.219 -13.048 1.00 40.23 H new ATOM 0 HB3 TRP A 95 10.816 -29.954 -13.720 1.00 40.23 H new ATOM 0 HD1 TRP A 95 9.026 -30.427 -10.296 1.00 33.12 H new ATOM 0 HE1 TRP A 95 8.814 -32.946 -9.815 1.00 53.21 H new ATOM 0 HE3 TRP A 95 11.023 -32.220 -14.641 1.00 2.04 H new ATOM 0 HZ2 TRP A 95 9.442 -35.416 -11.170 1.00 42.44 H new ATOM 0 HZ3 TRP A 95 11.165 -34.660 -15.042 1.00 51.22 H new ATOM 0 HH2 TRP A 95 10.357 -36.266 -13.326 1.00 23.32 H new ATOM 1558 N ASP A 96 12.424 -29.469 -9.970 1.00 71.32 N ATOM 1559 CA ASP A 96 13.478 -30.076 -9.165 1.00 41.32 C ATOM 1560 C ASP A 96 13.227 -31.578 -8.990 1.00 33.30 C ATOM 1561 O ASP A 96 12.817 -32.028 -7.922 1.00 4.10 O ATOM 1562 CB ASP A 96 13.642 -29.322 -7.830 1.00 4.01 C ATOM 1563 CG ASP A 96 12.329 -28.896 -7.171 1.00 74.32 C ATOM 1564 OD1 ASP A 96 11.988 -27.699 -7.301 1.00 52.12 O ATOM 1565 OD2 ASP A 96 11.693 -29.765 -6.538 1.00 5.54 O ATOM 0 H ASP A 96 11.750 -28.946 -9.411 1.00 71.32 H new ATOM 0 HA ASP A 96 14.430 -29.985 -9.688 1.00 41.32 H new ATOM 0 HB2 ASP A 96 14.192 -29.957 -7.135 1.00 4.01 H new ATOM 0 HB3 ASP A 96 14.251 -28.435 -8.002 1.00 4.01 H new ATOM 1570 N ARG A 97 13.494 -32.359 -10.047 1.00 40.43 N ATOM 1571 CA ARG A 97 13.315 -33.804 -10.033 1.00 35.24 C ATOM 1572 C ARG A 97 14.431 -34.517 -9.269 1.00 21.45 C ATOM 1573 O ARG A 97 14.156 -35.455 -8.521 1.00 12.24 O ATOM 1574 CB ARG A 97 13.125 -34.361 -11.451 1.00 60.52 C ATOM 1575 CG ARG A 97 14.367 -34.688 -12.291 1.00 23.14 C ATOM 1576 CD ARG A 97 15.117 -33.455 -12.811 1.00 0.40 C ATOM 1577 NE ARG A 97 16.203 -33.853 -13.719 1.00 11.23 N ATOM 1578 CZ ARG A 97 16.039 -34.342 -14.963 1.00 13.04 C ATOM 1579 NH1 ARG A 97 14.826 -34.403 -15.534 1.00 12.44 N ATOM 1580 NH2 ARG A 97 17.108 -34.782 -15.642 1.00 63.12 N ATOM 0 H ARG A 97 13.841 -31.997 -10.935 1.00 40.43 H new ATOM 0 HA ARG A 97 12.395 -34.010 -9.486 1.00 35.24 H new ATOM 0 HB2 ARG A 97 12.532 -35.272 -11.371 1.00 60.52 H new ATOM 0 HB3 ARG A 97 12.528 -33.641 -12.011 1.00 60.52 H new ATOM 0 HG2 ARG A 97 15.050 -35.288 -11.690 1.00 23.14 H new ATOM 0 HG3 ARG A 97 14.066 -35.301 -13.140 1.00 23.14 H new ATOM 0 HD2 ARG A 97 14.424 -32.794 -13.332 1.00 0.40 H new ATOM 0 HD3 ARG A 97 15.525 -32.891 -11.972 1.00 0.40 H new ATOM 0 HE ARG A 97 17.159 -33.750 -13.379 1.00 11.23 H new ATOM 0 HH11 ARG A 97 14.005 -34.075 -15.025 1.00 12.44 H new ATOM 0 HH12 ARG A 97 14.725 -34.777 -16.477 1.00 12.44 H new ATOM 0 HH21 ARG A 97 18.034 -34.744 -15.216 1.00 63.12 H new ATOM 0 HH22 ARG A 97 16.995 -35.154 -16.585 1.00 63.12 H new