USER MOD reduce.3.24.130724 H: found=0, std=0, add=887, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 864 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 117 HIS : no HE2:sc= -29.2! C(o=-51!,f=-61!) USER MOD Set 1.2: A 118 HIS : no HE2:sc= -21.8! C(o=-51!,f=-57!) USER MOD Set 2.1: A 35 ASN : amide:sc= -22.3! C(o=-24!,f=-42!) USER MOD Set 2.2: A 37 THR OG1 : rot 86:sc= 0.519 USER MOD Set 2.3: A 76 THR OG1 : rot 66:sc= -1.76! USER MOD Set 3.1: A 20 HIS : no HD1:sc= -54.3! C(o=-1.1e+02!,f=-98!) USER MOD Set 3.2: A 21 SER OG : rot -99:sc= -10.4! USER MOD Set 3.3: A 38 HIS : no HE2:sc= -46.9! C(o=-1.1e+02!,f=-98!) USER MOD Single : A 4 GLN : amide:sc= -2.48! K(o=-2.5!,f=-0.22) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 39:sc= 0.195 USER MOD Single : A 16 TYR OH : rot 50:sc= -1.88! USER MOD Single : A 22 THR OG1 : rot -6:sc= 0.921 USER MOD Single : A 24 SER OG : rot -164:sc= 1.56 USER MOD Single : A 26 MET CE :methyl 175:sc= -7.7! (180deg=-8.24!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ -121:sc=-0.00229 (180deg=-0.353) USER MOD Single : A 44 ASN : amide:sc= -25.5! C(o=-25!,f=-21!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 75:sc= 0.157 USER MOD Single : A 56 LYS NZ :NH3+ 135:sc= -10.4! (180deg=-12.3!) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 64:sc= -15.3! USER MOD Single : A 63 HIS : no HE2:sc= -27.7! C(o=-28!,f=-32!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN : amide:sc= -9.65! C(o=-9.7!,f=-5.5!) USER MOD Single : A 72 LYS NZ :NH3+ 176:sc= -16! (180deg=-16.6!) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 GLN : amide:sc= -48.7! C(o=-49!,f=-41!) USER MOD Single : A 81 ASN : amide:sc= -2.87! K(o=-2.9!,f=-0.21) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot -157:sc= -5.54! USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 GLN : amide:sc= -0.951 K(o=-0.95,f=-1.5) USER MOD Single : A 97 LYS NZ :NH3+ 149:sc= 0.925 (180deg=0.313) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 HIS : no HD1:sc= -0.506 X(o=-0.51,f=-0.24) USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 26 N GLN A 4 -2.342 -2.254 8.619 1.00 1.00 N ATOM 27 CA GLN A 4 -2.073 -0.961 7.928 1.00 1.00 C ATOM 28 C GLN A 4 -2.514 -1.038 6.464 1.00 1.00 C ATOM 29 O GLN A 4 -3.076 -2.022 6.025 1.00 1.00 O ATOM 30 CB GLN A 4 -0.560 -0.771 8.021 1.00 1.00 C ATOM 31 CG GLN A 4 -0.251 0.435 8.911 1.00 1.00 C ATOM 32 CD GLN A 4 1.143 0.275 9.523 1.00 1.00 C ATOM 33 OE1 GLN A 4 1.788 1.250 9.854 1.00 1.00 O ATOM 34 NE2 GLN A 4 1.636 -0.922 9.688 1.00 1.00 N ATOM 0 HA GLN A 4 -2.618 -0.132 8.379 1.00 1.00 H new ATOM 0 HB2 GLN A 4 -0.095 -1.668 8.431 1.00 1.00 H new ATOM 0 HB3 GLN A 4 -0.140 -0.620 7.027 1.00 1.00 H new ATOM 0 HG2 GLN A 4 -0.300 1.354 8.326 1.00 1.00 H new ATOM 0 HG3 GLN A 4 -0.999 0.519 9.700 1.00 1.00 H new ATOM 0 HE21 GLN A 4 1.094 -1.740 9.410 1.00 1.00 H new ATOM 0 HE22 GLN A 4 2.564 -1.040 10.095 1.00 1.00 H new ATOM 43 N ILE A 5 -2.259 -0.008 5.706 1.00 1.00 N ATOM 44 CA ILE A 5 -2.657 -0.019 4.270 1.00 1.00 C ATOM 45 C ILE A 5 -1.409 -0.060 3.382 1.00 1.00 C ATOM 46 O ILE A 5 -0.882 0.962 2.988 1.00 1.00 O ATOM 47 CB ILE A 5 -3.422 1.288 4.064 1.00 1.00 C ATOM 48 CG1 ILE A 5 -4.786 0.989 3.437 1.00 1.00 C ATOM 49 CG2 ILE A 5 -2.626 2.206 3.134 1.00 1.00 C ATOM 50 CD1 ILE A 5 -5.341 2.258 2.790 1.00 1.00 C ATOM 0 H ILE A 5 -1.791 0.843 6.019 1.00 1.00 H new ATOM 0 HA ILE A 5 -3.261 -0.888 4.011 1.00 1.00 H new ATOM 0 HB ILE A 5 -3.563 1.779 5.027 1.00 1.00 H new ATOM 0 HG12 ILE A 5 -4.690 0.200 2.691 1.00 1.00 H new ATOM 0 HG13 ILE A 5 -5.476 0.625 4.198 1.00 1.00 H new ATOM 0 HG21 ILE A 5 -3.172 3.138 2.988 1.00 1.00 H new ATOM 0 HG22 ILE A 5 -1.655 2.421 3.579 1.00 1.00 H new ATOM 0 HG23 ILE A 5 -2.483 1.714 2.172 1.00 1.00 H new ATOM 0 HD11 ILE A 5 -6.312 2.044 2.344 1.00 1.00 H new ATOM 0 HD12 ILE A 5 -5.453 3.034 3.548 1.00 1.00 H new ATOM 0 HD13 ILE A 5 -4.654 2.602 2.017 1.00 1.00 H new ATOM 62 N TYR A 6 -0.930 -1.233 3.067 1.00 1.00 N ATOM 63 CA TYR A 6 0.285 -1.338 2.208 1.00 1.00 C ATOM 64 C TYR A 6 0.031 -0.690 0.845 1.00 1.00 C ATOM 65 O TYR A 6 -1.094 -0.417 0.477 1.00 1.00 O ATOM 66 CB TYR A 6 0.533 -2.839 2.054 1.00 1.00 C ATOM 67 CG TYR A 6 1.026 -3.404 3.364 1.00 1.00 C ATOM 68 CD1 TYR A 6 0.347 -3.108 4.553 1.00 1.00 C ATOM 69 CD2 TYR A 6 2.160 -4.224 3.392 1.00 1.00 C ATOM 70 CE1 TYR A 6 0.804 -3.630 5.769 1.00 1.00 C ATOM 71 CE2 TYR A 6 2.617 -4.747 4.607 1.00 1.00 C ATOM 72 CZ TYR A 6 1.938 -4.450 5.796 1.00 1.00 C ATOM 73 OH TYR A 6 2.388 -4.965 6.994 1.00 1.00 O ATOM 0 H TYR A 6 -1.327 -2.123 3.367 1.00 1.00 H new ATOM 0 HA TYR A 6 1.143 -0.826 2.644 1.00 1.00 H new ATOM 0 HB2 TYR A 6 -0.386 -3.341 1.752 1.00 1.00 H new ATOM 0 HB3 TYR A 6 1.267 -3.019 1.269 1.00 1.00 H new ATOM 0 HD1 TYR A 6 -0.529 -2.477 4.532 1.00 1.00 H new ATOM 0 HD2 TYR A 6 2.683 -4.453 2.475 1.00 1.00 H new ATOM 0 HE1 TYR A 6 0.282 -3.400 6.686 1.00 1.00 H new ATOM 0 HE2 TYR A 6 3.492 -5.379 4.628 1.00 1.00 H new ATOM 0 HH TYR A 6 3.184 -5.514 6.836 1.00 1.00 H new ATOM 83 N SER A 7 1.069 -0.440 0.093 1.00 1.00 N ATOM 84 CA SER A 7 0.884 0.194 -1.243 1.00 1.00 C ATOM 85 C SER A 7 1.377 -0.743 -2.351 1.00 1.00 C ATOM 86 O SER A 7 2.290 -1.522 -2.161 1.00 1.00 O ATOM 87 CB SER A 7 1.734 1.463 -1.201 1.00 1.00 C ATOM 88 OG SER A 7 0.911 2.566 -0.845 1.00 1.00 O ATOM 0 H SER A 7 2.035 -0.647 0.346 1.00 1.00 H new ATOM 0 HA SER A 7 -0.164 0.410 -1.453 1.00 1.00 H new ATOM 0 HB2 SER A 7 2.543 1.349 -0.479 1.00 1.00 H new ATOM 0 HB3 SER A 7 2.196 1.638 -2.173 1.00 1.00 H new ATOM 0 HG SER A 7 1.453 3.382 -0.815 1.00 1.00 H new ATOM 94 N ALA A 8 0.777 -0.668 -3.508 1.00 1.00 N ATOM 95 CA ALA A 8 1.207 -1.546 -4.635 1.00 1.00 C ATOM 96 C ALA A 8 0.946 -0.844 -5.969 1.00 1.00 C ATOM 97 O ALA A 8 0.164 0.083 -6.047 1.00 1.00 O ATOM 98 CB ALA A 8 0.343 -2.803 -4.511 1.00 1.00 C ATOM 0 H ALA A 8 0.006 -0.035 -3.722 1.00 1.00 H new ATOM 0 HA ALA A 8 2.271 -1.781 -4.598 1.00 1.00 H new ATOM 0 HB1 ALA A 8 0.600 -3.501 -5.308 1.00 1.00 H new ATOM 0 HB2 ALA A 8 0.522 -3.274 -3.544 1.00 1.00 H new ATOM 0 HB3 ALA A 8 -0.709 -2.531 -4.593 1.00 1.00 H new ATOM 104 N ARG A 9 1.593 -1.269 -7.021 1.00 1.00 N ATOM 105 CA ARG A 9 1.373 -0.612 -8.342 1.00 1.00 C ATOM 106 C ARG A 9 1.414 -1.649 -9.468 1.00 1.00 C ATOM 107 O ARG A 9 2.378 -2.373 -9.624 1.00 1.00 O ATOM 108 CB ARG A 9 2.522 0.384 -8.489 1.00 1.00 C ATOM 109 CG ARG A 9 3.077 0.319 -9.913 1.00 1.00 C ATOM 110 CD ARG A 9 3.334 1.737 -10.428 1.00 1.00 C ATOM 111 NE ARG A 9 2.915 1.709 -11.857 1.00 1.00 N ATOM 112 CZ ARG A 9 3.744 2.096 -12.788 1.00 1.00 C ATOM 113 NH1 ARG A 9 4.941 2.506 -12.467 1.00 1.00 N ATOM 114 NH2 ARG A 9 3.376 2.074 -14.040 1.00 1.00 N ATOM 0 H ARG A 9 2.262 -2.039 -7.023 1.00 1.00 H new ATOM 0 HA ARG A 9 0.400 -0.123 -8.399 1.00 1.00 H new ATOM 0 HB2 ARG A 9 2.173 1.393 -8.270 1.00 1.00 H new ATOM 0 HB3 ARG A 9 3.309 0.156 -7.770 1.00 1.00 H new ATOM 0 HG2 ARG A 9 4.002 -0.258 -9.928 1.00 1.00 H new ATOM 0 HG3 ARG A 9 2.371 -0.194 -10.566 1.00 1.00 H new ATOM 0 HD2 ARG A 9 2.761 2.472 -9.863 1.00 1.00 H new ATOM 0 HD3 ARG A 9 4.385 2.008 -10.330 1.00 1.00 H new ATOM 0 HE ARG A 9 1.980 1.387 -12.108 1.00 1.00 H new ATOM 0 HH11 ARG A 9 5.229 2.524 -11.489 1.00 1.00 H new ATOM 0 HH12 ARG A 9 5.589 2.808 -13.195 1.00 1.00 H new ATOM 0 HH21 ARG A 9 2.440 1.754 -14.291 1.00 1.00 H new ATOM 0 HH22 ARG A 9 4.024 2.376 -14.767 1.00 1.00 H new ATOM 127 N TYR A 10 0.375 -1.724 -10.255 1.00 1.00 N ATOM 128 CA TYR A 10 0.354 -2.712 -11.372 1.00 1.00 C ATOM 129 C TYR A 10 -0.382 -2.131 -12.585 1.00 1.00 C ATOM 130 O TYR A 10 -1.045 -1.117 -12.494 1.00 1.00 O ATOM 131 CB TYR A 10 -0.403 -3.919 -10.817 1.00 1.00 C ATOM 132 CG TYR A 10 0.543 -4.788 -10.023 1.00 1.00 C ATOM 133 CD1 TYR A 10 1.892 -4.868 -10.387 1.00 1.00 C ATOM 134 CD2 TYR A 10 0.070 -5.513 -8.923 1.00 1.00 C ATOM 135 CE1 TYR A 10 2.769 -5.675 -9.651 1.00 1.00 C ATOM 136 CE2 TYR A 10 0.946 -6.320 -8.189 1.00 1.00 C ATOM 137 CZ TYR A 10 2.295 -6.401 -8.551 1.00 1.00 C ATOM 138 OH TYR A 10 3.158 -7.196 -7.826 1.00 1.00 O ATOM 0 H TYR A 10 -0.460 -1.144 -10.173 1.00 1.00 H new ATOM 0 HA TYR A 10 1.357 -2.975 -11.707 1.00 1.00 H new ATOM 0 HB2 TYR A 10 -1.225 -3.586 -10.184 1.00 1.00 H new ATOM 0 HB3 TYR A 10 -0.842 -4.493 -11.633 1.00 1.00 H new ATOM 0 HD1 TYR A 10 2.257 -4.308 -11.235 1.00 1.00 H new ATOM 0 HD2 TYR A 10 -0.971 -5.449 -8.641 1.00 1.00 H new ATOM 0 HE1 TYR A 10 3.810 -5.737 -9.932 1.00 1.00 H new ATOM 0 HE2 TYR A 10 0.580 -6.881 -7.342 1.00 1.00 H new ATOM 0 HH TYR A 10 2.668 -7.629 -7.096 1.00 1.00 H new ATOM 148 N SER A 11 -0.275 -2.775 -13.714 1.00 1.00 N ATOM 149 CA SER A 11 -0.974 -2.273 -14.934 1.00 1.00 C ATOM 150 C SER A 11 -0.556 -0.833 -15.250 1.00 1.00 C ATOM 151 O SER A 11 -1.359 -0.026 -15.677 1.00 1.00 O ATOM 152 CB SER A 11 -2.460 -2.333 -14.589 1.00 1.00 C ATOM 153 OG SER A 11 -3.064 -1.083 -14.896 1.00 1.00 O ATOM 0 H SER A 11 0.267 -3.629 -13.846 1.00 1.00 H new ATOM 0 HA SER A 11 -0.729 -2.867 -15.815 1.00 1.00 H new ATOM 0 HB2 SER A 11 -2.944 -3.132 -15.151 1.00 1.00 H new ATOM 0 HB3 SER A 11 -2.591 -2.563 -13.532 1.00 1.00 H new ATOM 0 HG SER A 11 -2.685 -0.732 -15.729 1.00 1.00 H new ATOM 159 N GLY A 12 0.692 -0.503 -15.057 1.00 1.00 N ATOM 160 CA GLY A 12 1.150 0.884 -15.361 1.00 1.00 C ATOM 161 C GLY A 12 0.594 1.855 -14.318 1.00 1.00 C ATOM 162 O GLY A 12 0.922 3.025 -14.309 1.00 1.00 O ATOM 0 H GLY A 12 1.413 -1.132 -14.703 1.00 1.00 H new ATOM 0 HA2 GLY A 12 2.239 0.924 -15.364 1.00 1.00 H new ATOM 0 HA3 GLY A 12 0.817 1.176 -16.357 1.00 1.00 H new ATOM 166 N VAL A 13 -0.246 1.383 -13.440 1.00 1.00 N ATOM 167 CA VAL A 13 -0.820 2.282 -12.398 1.00 1.00 C ATOM 168 C VAL A 13 -0.510 1.733 -11.005 1.00 1.00 C ATOM 169 O VAL A 13 -0.679 0.559 -10.740 1.00 1.00 O ATOM 170 CB VAL A 13 -2.326 2.277 -12.656 1.00 1.00 C ATOM 171 CG1 VAL A 13 -3.066 1.937 -11.361 1.00 1.00 C ATOM 172 CG2 VAL A 13 -2.764 3.659 -13.144 1.00 1.00 C ATOM 0 H VAL A 13 -0.561 0.414 -13.398 1.00 1.00 H new ATOM 0 HA VAL A 13 -0.405 3.289 -12.443 1.00 1.00 H new ATOM 0 HB VAL A 13 -2.561 1.531 -13.415 1.00 1.00 H new ATOM 0 HG11 VAL A 13 -4.140 1.934 -11.546 1.00 1.00 H new ATOM 0 HG12 VAL A 13 -2.755 0.952 -11.012 1.00 1.00 H new ATOM 0 HG13 VAL A 13 -2.831 2.682 -10.601 1.00 1.00 H new ATOM 0 HG21 VAL A 13 -3.838 3.656 -13.328 1.00 1.00 H new ATOM 0 HG22 VAL A 13 -2.528 4.405 -12.385 1.00 1.00 H new ATOM 0 HG23 VAL A 13 -2.238 3.902 -14.067 1.00 1.00 H new ATOM 182 N ASP A 14 -0.046 2.566 -10.112 1.00 1.00 N ATOM 183 CA ASP A 14 0.284 2.078 -8.744 1.00 1.00 C ATOM 184 C ASP A 14 -0.984 1.967 -7.894 1.00 1.00 C ATOM 185 O ASP A 14 -1.939 2.694 -8.081 1.00 1.00 O ATOM 186 CB ASP A 14 1.226 3.134 -8.165 1.00 1.00 C ATOM 187 CG ASP A 14 0.907 3.345 -6.684 1.00 1.00 C ATOM 188 OD1 ASP A 14 -0.248 3.586 -6.374 1.00 1.00 O ATOM 189 OD2 ASP A 14 1.825 3.262 -5.883 1.00 1.00 O ATOM 0 H ASP A 14 0.118 3.560 -10.271 1.00 1.00 H new ATOM 0 HA ASP A 14 0.738 1.087 -8.760 1.00 1.00 H new ATOM 0 HB2 ASP A 14 2.262 2.817 -8.283 1.00 1.00 H new ATOM 0 HB3 ASP A 14 1.116 4.072 -8.709 1.00 1.00 H new ATOM 194 N VAL A 15 -0.995 1.057 -6.959 1.00 1.00 N ATOM 195 CA VAL A 15 -2.192 0.884 -6.088 1.00 1.00 C ATOM 196 C VAL A 15 -1.754 0.488 -4.675 1.00 1.00 C ATOM 197 O VAL A 15 -0.581 0.322 -4.405 1.00 1.00 O ATOM 198 CB VAL A 15 -2.996 -0.241 -6.738 1.00 1.00 C ATOM 199 CG1 VAL A 15 -3.897 0.338 -7.830 1.00 1.00 C ATOM 200 CG2 VAL A 15 -2.037 -1.261 -7.357 1.00 1.00 C ATOM 0 H VAL A 15 -0.222 0.422 -6.760 1.00 1.00 H new ATOM 0 HA VAL A 15 -2.778 1.799 -5.997 1.00 1.00 H new ATOM 0 HB VAL A 15 -3.611 -0.730 -5.982 1.00 1.00 H new ATOM 0 HG11 VAL A 15 -4.470 -0.465 -8.293 1.00 1.00 H new ATOM 0 HG12 VAL A 15 -4.580 1.064 -7.390 1.00 1.00 H new ATOM 0 HG13 VAL A 15 -3.283 0.828 -8.586 1.00 1.00 H new ATOM 0 HG21 VAL A 15 -2.610 -2.064 -7.821 1.00 1.00 H new ATOM 0 HG22 VAL A 15 -1.422 -0.771 -8.112 1.00 1.00 H new ATOM 0 HG23 VAL A 15 -1.395 -1.675 -6.580 1.00 1.00 H new ATOM 210 N TYR A 16 -2.683 0.330 -3.774 1.00 1.00 N ATOM 211 CA TYR A 16 -2.312 -0.063 -2.383 1.00 1.00 C ATOM 212 C TYR A 16 -2.942 -1.414 -2.039 1.00 1.00 C ATOM 213 O TYR A 16 -3.998 -1.757 -2.529 1.00 1.00 O ATOM 214 CB TYR A 16 -2.884 1.041 -1.493 1.00 1.00 C ATOM 215 CG TYR A 16 -3.134 2.277 -2.323 1.00 1.00 C ATOM 216 CD1 TYR A 16 -4.084 2.249 -3.351 1.00 1.00 C ATOM 217 CD2 TYR A 16 -2.417 3.451 -2.063 1.00 1.00 C ATOM 218 CE1 TYR A 16 -4.315 3.396 -4.121 1.00 1.00 C ATOM 219 CE2 TYR A 16 -2.648 4.597 -2.832 1.00 1.00 C ATOM 220 CZ TYR A 16 -3.598 4.570 -3.862 1.00 1.00 C ATOM 221 OH TYR A 16 -3.825 5.700 -4.621 1.00 1.00 O ATOM 0 H TYR A 16 -3.682 0.455 -3.939 1.00 1.00 H new ATOM 0 HA TYR A 16 -1.235 -0.169 -2.253 1.00 1.00 H new ATOM 0 HB2 TYR A 16 -3.813 0.706 -1.031 1.00 1.00 H new ATOM 0 HB3 TYR A 16 -2.189 1.267 -0.684 1.00 1.00 H new ATOM 0 HD1 TYR A 16 -4.638 1.344 -3.550 1.00 1.00 H new ATOM 0 HD2 TYR A 16 -1.685 3.472 -1.269 1.00 1.00 H new ATOM 0 HE1 TYR A 16 -5.047 3.375 -4.915 1.00 1.00 H new ATOM 0 HE2 TYR A 16 -2.094 5.502 -2.632 1.00 1.00 H new ATOM 0 HH TYR A 16 -4.788 5.878 -4.663 1.00 1.00 H new ATOM 231 N GLU A 17 -2.305 -2.187 -1.203 1.00 1.00 N ATOM 232 CA GLU A 17 -2.876 -3.515 -0.838 1.00 1.00 C ATOM 233 C GLU A 17 -2.967 -3.660 0.683 1.00 1.00 C ATOM 234 O GLU A 17 -1.970 -3.675 1.377 1.00 1.00 O ATOM 235 CB GLU A 17 -1.898 -4.539 -1.415 1.00 1.00 C ATOM 236 CG GLU A 17 -0.810 -3.815 -2.209 1.00 1.00 C ATOM 237 CD GLU A 17 -0.096 -4.812 -3.124 1.00 1.00 C ATOM 238 OE1 GLU A 17 -0.622 -5.092 -4.188 1.00 1.00 O ATOM 239 OE2 GLU A 17 0.966 -5.279 -2.745 1.00 1.00 O ATOM 0 H GLU A 17 -1.416 -1.958 -0.758 1.00 1.00 H new ATOM 0 HA GLU A 17 -3.885 -3.647 -1.227 1.00 1.00 H new ATOM 0 HB2 GLU A 17 -1.449 -5.122 -0.611 1.00 1.00 H new ATOM 0 HB3 GLU A 17 -2.428 -5.240 -2.060 1.00 1.00 H new ATOM 0 HG2 GLU A 17 -1.250 -3.013 -2.801 1.00 1.00 H new ATOM 0 HG3 GLU A 17 -0.095 -3.353 -1.528 1.00 1.00 H new ATOM 246 N PHE A 18 -4.157 -3.772 1.205 1.00 1.00 N ATOM 247 CA PHE A 18 -4.315 -3.924 2.680 1.00 1.00 C ATOM 248 C PHE A 18 -5.184 -5.144 2.991 1.00 1.00 C ATOM 249 O PHE A 18 -6.122 -5.446 2.281 1.00 1.00 O ATOM 250 CB PHE A 18 -5.011 -2.642 3.143 1.00 1.00 C ATOM 251 CG PHE A 18 -4.580 -1.486 2.274 1.00 1.00 C ATOM 252 CD1 PHE A 18 -3.264 -1.014 2.341 1.00 1.00 C ATOM 253 CD2 PHE A 18 -5.497 -0.884 1.405 1.00 1.00 C ATOM 254 CE1 PHE A 18 -2.865 0.062 1.537 1.00 1.00 C ATOM 255 CE2 PHE A 18 -5.099 0.191 0.603 1.00 1.00 C ATOM 256 CZ PHE A 18 -3.783 0.664 0.668 1.00 1.00 C ATOM 0 H PHE A 18 -5.028 -3.765 0.674 1.00 1.00 H new ATOM 0 HA PHE A 18 -3.360 -4.072 3.184 1.00 1.00 H new ATOM 0 HB2 PHE A 18 -6.093 -2.765 3.091 1.00 1.00 H new ATOM 0 HB3 PHE A 18 -4.763 -2.438 4.185 1.00 1.00 H new ATOM 0 HD1 PHE A 18 -2.557 -1.479 3.012 1.00 1.00 H new ATOM 0 HD2 PHE A 18 -6.512 -1.249 1.353 1.00 1.00 H new ATOM 0 HE1 PHE A 18 -1.850 0.427 1.588 1.00 1.00 H new ATOM 0 HE2 PHE A 18 -5.807 0.656 -0.067 1.00 1.00 H new ATOM 0 HZ PHE A 18 -3.476 1.493 0.048 1.00 1.00 H new ATOM 266 N ILE A 19 -4.883 -5.845 4.049 1.00 1.00 N ATOM 267 CA ILE A 19 -5.699 -7.041 4.403 1.00 1.00 C ATOM 268 C ILE A 19 -6.998 -6.604 5.081 1.00 1.00 C ATOM 269 O ILE A 19 -7.006 -5.724 5.919 1.00 1.00 O ATOM 270 CB ILE A 19 -4.829 -7.843 5.371 1.00 1.00 C ATOM 271 CG1 ILE A 19 -3.516 -8.222 4.679 1.00 1.00 C ATOM 272 CG2 ILE A 19 -5.568 -9.115 5.790 1.00 1.00 C ATOM 273 CD1 ILE A 19 -3.557 -9.698 4.280 1.00 1.00 C ATOM 0 H ILE A 19 -4.110 -5.642 4.682 1.00 1.00 H new ATOM 0 HA ILE A 19 -5.977 -7.629 3.528 1.00 1.00 H new ATOM 0 HB ILE A 19 -4.617 -7.240 6.254 1.00 1.00 H new ATOM 0 HG12 ILE A 19 -3.365 -7.600 3.797 1.00 1.00 H new ATOM 0 HG13 ILE A 19 -2.674 -8.038 5.347 1.00 1.00 H new ATOM 0 HG21 ILE A 19 -4.947 -9.686 6.480 1.00 1.00 H new ATOM 0 HG22 ILE A 19 -6.504 -8.847 6.281 1.00 1.00 H new ATOM 0 HG23 ILE A 19 -5.781 -9.719 4.908 1.00 1.00 H new ATOM 0 HD11 ILE A 19 -2.623 -9.968 3.788 1.00 1.00 H new ATOM 0 HD12 ILE A 19 -3.688 -10.312 5.171 1.00 1.00 H new ATOM 0 HD13 ILE A 19 -4.389 -9.867 3.597 1.00 1.00 H new ATOM 285 N HIS A 20 -8.096 -7.211 4.727 1.00 1.00 N ATOM 286 CA HIS A 20 -9.393 -6.826 5.355 1.00 1.00 C ATOM 287 C HIS A 20 -10.335 -8.031 5.396 1.00 1.00 C ATOM 288 O HIS A 20 -9.919 -9.147 5.639 1.00 1.00 O ATOM 289 CB HIS A 20 -9.960 -5.730 4.453 1.00 1.00 C ATOM 290 CG HIS A 20 -11.314 -5.313 4.958 1.00 1.00 C ATOM 291 ND1 HIS A 20 -12.478 -5.573 4.252 1.00 1.00 N ATOM 292 CD2 HIS A 20 -11.705 -4.658 6.100 1.00 1.00 C ATOM 293 CE1 HIS A 20 -13.505 -5.081 4.969 1.00 1.00 C ATOM 294 NE2 HIS A 20 -13.090 -4.512 6.104 1.00 1.00 N ATOM 0 H HIS A 20 -8.153 -7.955 4.032 1.00 1.00 H new ATOM 0 HA HIS A 20 -9.271 -6.483 6.382 1.00 1.00 H new ATOM 0 HB2 HIS A 20 -9.287 -4.873 4.437 1.00 1.00 H new ATOM 0 HB3 HIS A 20 -10.039 -6.093 3.428 1.00 1.00 H new ATOM 0 HD2 HIS A 20 -11.040 -4.309 6.876 1.00 1.00 H new ATOM 0 HE1 HIS A 20 -14.539 -5.139 4.664 1.00 1.00 H new ATOM 0 HE2 HIS A 20 -13.664 -4.066 6.820 1.00 1.00 H new ATOM 302 N SER A 21 -11.597 -7.819 5.148 1.00 1.00 N ATOM 303 CA SER A 21 -12.556 -8.959 5.161 1.00 1.00 C ATOM 304 C SER A 21 -12.228 -9.916 4.016 1.00 1.00 C ATOM 305 O SER A 21 -12.343 -11.120 4.141 1.00 1.00 O ATOM 306 CB SER A 21 -13.932 -8.326 4.959 1.00 1.00 C ATOM 307 OG SER A 21 -14.095 -7.256 5.879 1.00 1.00 O ATOM 0 H SER A 21 -12.005 -6.908 4.937 1.00 1.00 H new ATOM 0 HA SER A 21 -12.512 -9.534 6.086 1.00 1.00 H new ATOM 0 HB2 SER A 21 -14.031 -7.960 3.937 1.00 1.00 H new ATOM 0 HB3 SER A 21 -14.713 -9.071 5.108 1.00 1.00 H new ATOM 0 HG SER A 21 -14.622 -7.562 6.647 1.00 1.00 H new ATOM 313 N THR A 22 -11.801 -9.386 2.902 1.00 1.00 N ATOM 314 CA THR A 22 -11.444 -10.256 1.748 1.00 1.00 C ATOM 315 C THR A 22 -9.939 -10.519 1.760 1.00 1.00 C ATOM 316 O THR A 22 -9.372 -11.002 0.801 1.00 1.00 O ATOM 317 CB THR A 22 -11.842 -9.456 0.506 1.00 1.00 C ATOM 318 OG1 THR A 22 -11.290 -10.073 -0.649 1.00 1.00 O ATOM 319 CG2 THR A 22 -11.311 -8.027 0.626 1.00 1.00 C ATOM 0 H THR A 22 -11.684 -8.385 2.742 1.00 1.00 H new ATOM 0 HA THR A 22 -11.946 -11.223 1.778 1.00 1.00 H new ATOM 0 HB THR A 22 -12.928 -9.431 0.421 1.00 1.00 H new ATOM 0 HG1 THR A 22 -10.707 -10.812 -0.378 1.00 1.00 H new ATOM 0 HG21 THR A 22 -11.595 -7.458 -0.259 1.00 1.00 H new ATOM 0 HG22 THR A 22 -11.734 -7.555 1.512 1.00 1.00 H new ATOM 0 HG23 THR A 22 -10.224 -8.048 0.710 1.00 1.00 H new ATOM 327 N GLY A 23 -9.288 -10.188 2.841 1.00 1.00 N ATOM 328 CA GLY A 23 -7.817 -10.400 2.919 1.00 1.00 C ATOM 329 C GLY A 23 -7.106 -9.121 2.478 1.00 1.00 C ATOM 330 O GLY A 23 -7.260 -8.077 3.078 1.00 1.00 O ATOM 0 H GLY A 23 -9.712 -9.780 3.674 1.00 1.00 H new ATOM 0 HA2 GLY A 23 -7.528 -10.660 3.937 1.00 1.00 H new ATOM 0 HA3 GLY A 23 -7.522 -11.234 2.281 1.00 1.00 H new ATOM 334 N SER A 24 -6.334 -9.192 1.430 1.00 1.00 N ATOM 335 CA SER A 24 -5.614 -7.978 0.947 1.00 1.00 C ATOM 336 C SER A 24 -6.556 -7.090 0.129 1.00 1.00 C ATOM 337 O SER A 24 -7.308 -7.562 -0.700 1.00 1.00 O ATOM 338 CB SER A 24 -4.484 -8.511 0.068 1.00 1.00 C ATOM 339 OG SER A 24 -3.444 -7.544 0.004 1.00 1.00 O ATOM 0 H SER A 24 -6.169 -10.039 0.886 1.00 1.00 H new ATOM 0 HA SER A 24 -5.239 -7.368 1.769 1.00 1.00 H new ATOM 0 HB2 SER A 24 -4.102 -9.447 0.475 1.00 1.00 H new ATOM 0 HB3 SER A 24 -4.857 -8.728 -0.933 1.00 1.00 H new ATOM 0 HG SER A 24 -2.843 -7.759 -0.740 1.00 1.00 H new ATOM 345 N ILE A 25 -6.514 -5.806 0.355 1.00 1.00 N ATOM 346 CA ILE A 25 -7.401 -4.883 -0.409 1.00 1.00 C ATOM 347 C ILE A 25 -6.556 -3.949 -1.277 1.00 1.00 C ATOM 348 O ILE A 25 -5.658 -3.286 -0.798 1.00 1.00 O ATOM 349 CB ILE A 25 -8.156 -4.088 0.656 1.00 1.00 C ATOM 350 CG1 ILE A 25 -8.722 -5.050 1.704 1.00 1.00 C ATOM 351 CG2 ILE A 25 -9.304 -3.318 0.000 1.00 1.00 C ATOM 352 CD1 ILE A 25 -8.625 -6.486 1.184 1.00 1.00 C ATOM 0 H ILE A 25 -5.903 -5.355 1.036 1.00 1.00 H new ATOM 0 HA ILE A 25 -8.080 -5.415 -1.076 1.00 1.00 H new ATOM 0 HB ILE A 25 -7.475 -3.386 1.136 1.00 1.00 H new ATOM 0 HG12 ILE A 25 -8.170 -4.952 2.639 1.00 1.00 H new ATOM 0 HG13 ILE A 25 -9.761 -4.799 1.920 1.00 1.00 H new ATOM 0 HG21 ILE A 25 -9.843 -2.751 0.759 1.00 1.00 H new ATOM 0 HG22 ILE A 25 -8.903 -2.634 -0.747 1.00 1.00 H new ATOM 0 HG23 ILE A 25 -9.986 -4.020 -0.480 1.00 1.00 H new ATOM 0 HD11 ILE A 25 -9.028 -7.171 1.930 1.00 1.00 H new ATOM 0 HD12 ILE A 25 -9.197 -6.578 0.261 1.00 1.00 H new ATOM 0 HD13 ILE A 25 -7.581 -6.733 0.991 1.00 1.00 H new ATOM 364 N MET A 26 -6.830 -3.892 -2.551 1.00 1.00 N ATOM 365 CA MET A 26 -6.034 -2.999 -3.440 1.00 1.00 C ATOM 366 C MET A 26 -6.942 -1.983 -4.138 1.00 1.00 C ATOM 367 O MET A 26 -7.910 -2.336 -4.781 1.00 1.00 O ATOM 368 CB MET A 26 -5.391 -3.935 -4.464 1.00 1.00 C ATOM 369 CG MET A 26 -3.873 -3.939 -4.270 1.00 1.00 C ATOM 370 SD MET A 26 -3.058 -4.080 -5.880 1.00 1.00 S ATOM 371 CE MET A 26 -3.724 -5.701 -6.331 1.00 1.00 C ATOM 0 H MET A 26 -7.568 -4.423 -3.014 1.00 1.00 H new ATOM 0 HA MET A 26 -5.293 -2.424 -2.885 1.00 1.00 H new ATOM 0 HB2 MET A 26 -5.786 -4.944 -4.348 1.00 1.00 H new ATOM 0 HB3 MET A 26 -5.638 -3.610 -5.475 1.00 1.00 H new ATOM 0 HG2 MET A 26 -3.557 -3.023 -3.770 1.00 1.00 H new ATOM 0 HG3 MET A 26 -3.580 -4.770 -3.628 1.00 1.00 H new ATOM 0 HE1 MET A 26 -3.416 -5.951 -7.346 1.00 1.00 H new ATOM 0 HE2 MET A 26 -3.346 -6.455 -5.641 1.00 1.00 H new ATOM 0 HE3 MET A 26 -4.812 -5.675 -6.278 1.00 1.00 H new ATOM 381 N LYS A 27 -6.632 -0.721 -4.013 1.00 1.00 N ATOM 382 CA LYS A 27 -7.471 0.324 -4.666 1.00 1.00 C ATOM 383 C LYS A 27 -6.735 0.917 -5.870 1.00 1.00 C ATOM 384 O LYS A 27 -5.555 0.695 -6.060 1.00 1.00 O ATOM 385 CB LYS A 27 -7.687 1.389 -3.590 1.00 1.00 C ATOM 386 CG LYS A 27 -6.338 1.987 -3.185 1.00 1.00 C ATOM 387 CD LYS A 27 -6.567 3.189 -2.266 1.00 1.00 C ATOM 388 CE LYS A 27 -5.218 3.749 -1.809 1.00 1.00 C ATOM 389 NZ LYS A 27 -5.542 4.643 -0.662 1.00 1.00 N ATOM 0 H LYS A 27 -5.833 -0.368 -3.486 1.00 1.00 H new ATOM 0 HA LYS A 27 -8.414 -0.076 -5.037 1.00 1.00 H new ATOM 0 HB2 LYS A 27 -8.346 2.172 -3.966 1.00 1.00 H new ATOM 0 HB3 LYS A 27 -8.177 0.949 -2.721 1.00 1.00 H new ATOM 0 HG2 LYS A 27 -5.734 1.236 -2.676 1.00 1.00 H new ATOM 0 HG3 LYS A 27 -5.784 2.294 -4.072 1.00 1.00 H new ATOM 0 HD2 LYS A 27 -7.133 3.959 -2.791 1.00 1.00 H new ATOM 0 HD3 LYS A 27 -7.160 2.891 -1.402 1.00 1.00 H new ATOM 0 HE2 LYS A 27 -4.540 2.950 -1.508 1.00 1.00 H new ATOM 0 HE3 LYS A 27 -4.726 4.299 -2.612 1.00 1.00 H new ATOM 0 HZ1 LYS A 27 -4.666 5.066 -0.293 1.00 1.00 H new ATOM 0 HZ2 LYS A 27 -6.183 5.397 -0.980 1.00 1.00 H new ATOM 0 HZ3 LYS A 27 -6.003 4.091 0.089 1.00 1.00 H new ATOM 402 N ARG A 28 -7.421 1.671 -6.685 1.00 1.00 N ATOM 403 CA ARG A 28 -6.758 2.278 -7.876 1.00 1.00 C ATOM 404 C ARG A 28 -6.140 3.629 -7.506 1.00 1.00 C ATOM 405 O ARG A 28 -6.770 4.460 -6.883 1.00 1.00 O ATOM 406 CB ARG A 28 -7.877 2.463 -8.902 1.00 1.00 C ATOM 407 CG ARG A 28 -7.297 2.369 -10.314 1.00 1.00 C ATOM 408 CD ARG A 28 -8.434 2.403 -11.337 1.00 1.00 C ATOM 409 NE ARG A 28 -8.132 1.292 -12.282 1.00 1.00 N ATOM 410 CZ ARG A 28 -7.710 1.557 -13.488 1.00 1.00 C ATOM 411 NH1 ARG A 28 -7.555 2.797 -13.867 1.00 1.00 N ATOM 412 NH2 ARG A 28 -7.443 0.584 -14.314 1.00 1.00 N ATOM 0 H ARG A 28 -8.411 1.893 -6.579 1.00 1.00 H new ATOM 0 HA ARG A 28 -5.951 1.655 -8.261 1.00 1.00 H new ATOM 0 HB2 ARG A 28 -8.643 1.701 -8.761 1.00 1.00 H new ATOM 0 HB3 ARG A 28 -8.359 3.430 -8.759 1.00 1.00 H new ATOM 0 HG2 ARG A 28 -6.609 3.196 -10.492 1.00 1.00 H new ATOM 0 HG3 ARG A 28 -6.724 1.448 -10.422 1.00 1.00 H new ATOM 0 HD2 ARG A 28 -9.402 2.261 -10.857 1.00 1.00 H new ATOM 0 HD3 ARG A 28 -8.472 3.362 -11.854 1.00 1.00 H new ATOM 0 HE ARG A 28 -8.255 0.324 -11.986 1.00 1.00 H new ATOM 0 HH11 ARG A 28 -7.764 3.558 -13.220 1.00 1.00 H new ATOM 0 HH12 ARG A 28 -7.225 3.005 -14.810 1.00 1.00 H new ATOM 0 HH21 ARG A 28 -7.564 -0.384 -14.017 1.00 1.00 H new ATOM 0 HH22 ARG A 28 -7.113 0.791 -15.257 1.00 1.00 H new ATOM 425 N LYS A 29 -4.910 3.854 -7.884 1.00 1.00 N ATOM 426 CA LYS A 29 -4.254 5.151 -7.553 1.00 1.00 C ATOM 427 C LYS A 29 -4.981 6.306 -8.247 1.00 1.00 C ATOM 428 O LYS A 29 -5.099 7.389 -7.711 1.00 1.00 O ATOM 429 CB LYS A 29 -2.828 5.019 -8.085 1.00 1.00 C ATOM 430 CG LYS A 29 -2.144 6.389 -8.065 1.00 1.00 C ATOM 431 CD LYS A 29 -2.995 7.396 -8.840 1.00 1.00 C ATOM 432 CE LYS A 29 -2.091 8.477 -9.436 1.00 1.00 C ATOM 433 NZ LYS A 29 -2.979 9.656 -9.630 1.00 1.00 N ATOM 0 H LYS A 29 -4.332 3.196 -8.407 1.00 1.00 H new ATOM 0 HA LYS A 29 -4.273 5.362 -6.484 1.00 1.00 H new ATOM 0 HB2 LYS A 29 -2.266 4.312 -7.476 1.00 1.00 H new ATOM 0 HB3 LYS A 29 -2.843 4.623 -9.101 1.00 1.00 H new ATOM 0 HG2 LYS A 29 -2.010 6.725 -7.037 1.00 1.00 H new ATOM 0 HG3 LYS A 29 -1.151 6.318 -8.509 1.00 1.00 H new ATOM 0 HD2 LYS A 29 -3.545 6.889 -9.633 1.00 1.00 H new ATOM 0 HD3 LYS A 29 -3.734 7.849 -8.179 1.00 1.00 H new ATOM 0 HE2 LYS A 29 -1.263 8.712 -8.767 1.00 1.00 H new ATOM 0 HE3 LYS A 29 -1.655 8.151 -10.380 1.00 1.00 H new ATOM 0 HZ1 LYS A 29 -2.430 10.441 -10.036 1.00 1.00 H new ATOM 0 HZ2 LYS A 29 -3.754 9.404 -10.276 1.00 1.00 H new ATOM 0 HZ3 LYS A 29 -3.374 9.948 -8.713 1.00 1.00 H new ATOM 446 N LYS A 30 -5.472 6.081 -9.435 1.00 1.00 N ATOM 447 CA LYS A 30 -6.192 7.166 -10.161 1.00 1.00 C ATOM 448 C LYS A 30 -7.419 7.613 -9.362 1.00 1.00 C ATOM 449 O LYS A 30 -7.571 8.774 -9.036 1.00 1.00 O ATOM 450 CB LYS A 30 -6.617 6.539 -11.489 1.00 1.00 C ATOM 451 CG LYS A 30 -5.467 6.638 -12.493 1.00 1.00 C ATOM 452 CD LYS A 30 -5.892 7.517 -13.672 1.00 1.00 C ATOM 453 CE LYS A 30 -7.121 8.339 -13.279 1.00 1.00 C ATOM 454 NZ LYS A 30 -7.430 9.165 -14.479 1.00 1.00 N ATOM 0 H LYS A 30 -5.406 5.194 -9.934 1.00 1.00 H new ATOM 0 HA LYS A 30 -5.570 8.049 -10.307 1.00 1.00 H new ATOM 0 HB2 LYS A 30 -6.893 5.495 -11.338 1.00 1.00 H new ATOM 0 HB3 LYS A 30 -7.498 7.049 -11.878 1.00 1.00 H new ATOM 0 HG2 LYS A 30 -4.585 7.059 -12.011 1.00 1.00 H new ATOM 0 HG3 LYS A 30 -5.193 5.644 -12.847 1.00 1.00 H new ATOM 0 HD2 LYS A 30 -5.075 8.179 -13.959 1.00 1.00 H new ATOM 0 HD3 LYS A 30 -6.118 6.896 -14.539 1.00 1.00 H new ATOM 0 HE2 LYS A 30 -7.960 7.694 -13.017 1.00 1.00 H new ATOM 0 HE3 LYS A 30 -6.916 8.965 -12.411 1.00 1.00 H new ATOM 0 HZ1 LYS A 30 -8.263 9.758 -14.287 1.00 1.00 H new ATOM 0 HZ2 LYS A 30 -6.616 9.773 -14.701 1.00 1.00 H new ATOM 0 HZ3 LYS A 30 -7.627 8.542 -15.288 1.00 1.00 H new ATOM 467 N ASP A 31 -8.295 6.700 -9.044 1.00 1.00 N ATOM 468 CA ASP A 31 -9.511 7.072 -8.266 1.00 1.00 C ATOM 469 C ASP A 31 -9.496 6.382 -6.899 1.00 1.00 C ATOM 470 O ASP A 31 -10.454 6.442 -6.152 1.00 1.00 O ATOM 471 CB ASP A 31 -10.687 6.573 -9.107 1.00 1.00 C ATOM 472 CG ASP A 31 -11.678 5.832 -8.209 1.00 1.00 C ATOM 473 OD1 ASP A 31 -11.242 5.255 -7.227 1.00 1.00 O ATOM 474 OD2 ASP A 31 -12.858 5.853 -8.519 1.00 1.00 O ATOM 0 H ASP A 31 -8.222 5.713 -9.289 1.00 1.00 H new ATOM 0 HA ASP A 31 -9.570 8.144 -8.079 1.00 1.00 H new ATOM 0 HB2 ASP A 31 -11.181 7.413 -9.596 1.00 1.00 H new ATOM 0 HB3 ASP A 31 -10.329 5.911 -9.895 1.00 1.00 H new ATOM 479 N ASP A 32 -8.418 5.727 -6.565 1.00 1.00 N ATOM 480 CA ASP A 32 -8.343 5.036 -5.246 1.00 1.00 C ATOM 481 C ASP A 32 -9.668 4.330 -4.942 1.00 1.00 C ATOM 482 O ASP A 32 -10.374 4.686 -4.019 1.00 1.00 O ATOM 483 CB ASP A 32 -8.082 6.148 -4.231 1.00 1.00 C ATOM 484 CG ASP A 32 -7.151 7.194 -4.849 1.00 1.00 C ATOM 485 OD1 ASP A 32 -7.650 8.073 -5.532 1.00 1.00 O ATOM 486 OD2 ASP A 32 -5.955 7.098 -4.628 1.00 1.00 O ATOM 0 H ASP A 32 -7.586 5.640 -7.148 1.00 1.00 H new ATOM 0 HA ASP A 32 -7.565 4.273 -5.223 1.00 1.00 H new ATOM 0 HB2 ASP A 32 -9.022 6.612 -3.934 1.00 1.00 H new ATOM 0 HB3 ASP A 32 -7.633 5.733 -3.329 1.00 1.00 H new ATOM 491 N TRP A 33 -10.009 3.331 -5.709 1.00 1.00 N ATOM 492 CA TRP A 33 -11.287 2.603 -5.462 1.00 1.00 C ATOM 493 C TRP A 33 -11.068 1.489 -4.435 1.00 1.00 C ATOM 494 O TRP A 33 -9.960 1.040 -4.218 1.00 1.00 O ATOM 495 CB TRP A 33 -11.676 2.015 -6.819 1.00 1.00 C ATOM 496 CG TRP A 33 -11.244 2.945 -7.907 1.00 1.00 C ATOM 497 CD1 TRP A 33 -9.960 3.223 -8.228 1.00 1.00 C ATOM 498 CD2 TRP A 33 -12.072 3.721 -8.823 1.00 1.00 C ATOM 499 NE1 TRP A 33 -9.946 4.120 -9.281 1.00 1.00 N ATOM 500 CE2 TRP A 33 -11.224 4.457 -9.683 1.00 1.00 C ATOM 501 CE3 TRP A 33 -13.462 3.855 -8.988 1.00 1.00 C ATOM 502 CZ2 TRP A 33 -11.736 5.299 -10.671 1.00 1.00 C ATOM 503 CZ3 TRP A 33 -13.982 4.700 -9.982 1.00 1.00 C ATOM 504 CH2 TRP A 33 -13.121 5.421 -10.822 1.00 1.00 C ATOM 0 H TRP A 33 -9.459 2.987 -6.496 1.00 1.00 H new ATOM 0 HA TRP A 33 -12.065 3.254 -5.063 1.00 1.00 H new ATOM 0 HB2 TRP A 33 -11.208 1.040 -6.952 1.00 1.00 H new ATOM 0 HB3 TRP A 33 -12.754 1.860 -6.865 1.00 1.00 H new ATOM 0 HD1 TRP A 33 -9.088 2.812 -7.742 1.00 1.00 H new ATOM 0 HE1 TRP A 33 -9.096 4.488 -9.708 1.00 1.00 H new ATOM 0 HE3 TRP A 33 -14.134 3.305 -8.346 1.00 1.00 H new ATOM 0 HZ2 TRP A 33 -11.068 5.852 -11.314 1.00 1.00 H new ATOM 0 HZ3 TRP A 33 -15.051 4.795 -10.100 1.00 1.00 H new ATOM 0 HH2 TRP A 33 -13.527 6.069 -11.584 1.00 1.00 H new ATOM 515 N VAL A 34 -12.116 1.039 -3.801 1.00 1.00 N ATOM 516 CA VAL A 34 -11.967 -0.047 -2.789 1.00 1.00 C ATOM 517 C VAL A 34 -12.735 -1.294 -3.232 1.00 1.00 C ATOM 518 O VAL A 34 -13.776 -1.205 -3.854 1.00 1.00 O ATOM 519 CB VAL A 34 -12.565 0.525 -1.503 1.00 1.00 C ATOM 520 CG1 VAL A 34 -13.780 -0.308 -1.090 1.00 1.00 C ATOM 521 CG2 VAL A 34 -11.516 0.483 -0.391 1.00 1.00 C ATOM 0 H VAL A 34 -13.069 1.376 -3.939 1.00 1.00 H new ATOM 0 HA VAL A 34 -10.928 -0.347 -2.656 1.00 1.00 H new ATOM 0 HB VAL A 34 -12.873 1.557 -1.673 1.00 1.00 H new ATOM 0 HG11 VAL A 34 -14.206 0.100 -0.173 1.00 1.00 H new ATOM 0 HG12 VAL A 34 -14.528 -0.278 -1.882 1.00 1.00 H new ATOM 0 HG13 VAL A 34 -13.473 -1.340 -0.920 1.00 1.00 H new ATOM 0 HG21 VAL A 34 -11.941 0.891 0.526 1.00 1.00 H new ATOM 0 HG22 VAL A 34 -11.207 -0.548 -0.221 1.00 1.00 H new ATOM 0 HG23 VAL A 34 -10.650 1.077 -0.685 1.00 1.00 H new ATOM 531 N ASN A 35 -12.232 -2.456 -2.919 1.00 1.00 N ATOM 532 CA ASN A 35 -12.934 -3.708 -3.325 1.00 1.00 C ATOM 533 C ASN A 35 -14.285 -3.812 -2.612 1.00 1.00 C ATOM 534 O ASN A 35 -14.364 -4.206 -1.466 1.00 1.00 O ATOM 535 CB ASN A 35 -12.008 -4.842 -2.887 1.00 1.00 C ATOM 536 CG ASN A 35 -12.793 -6.154 -2.843 1.00 1.00 C ATOM 537 OD1 ASN A 35 -14.005 -6.154 -2.923 1.00 1.00 O ATOM 538 ND2 ASN A 35 -12.148 -7.282 -2.716 1.00 1.00 N ATOM 0 H ASN A 35 -11.365 -2.594 -2.400 1.00 1.00 H new ATOM 0 HA ASN A 35 -13.137 -3.739 -4.396 1.00 1.00 H new ATOM 0 HB2 ASN A 35 -11.171 -4.930 -3.579 1.00 1.00 H new ATOM 0 HB3 ASN A 35 -11.588 -4.624 -1.905 1.00 1.00 H new ATOM 0 HD21 ASN A 35 -12.662 -8.163 -2.684 1.00 1.00 H new ATOM 0 HD22 ASN A 35 -11.130 -7.283 -2.649 1.00 1.00 H new ATOM 545 N ALA A 36 -15.349 -3.462 -3.282 1.00 1.00 N ATOM 546 CA ALA A 36 -16.694 -3.542 -2.643 1.00 1.00 C ATOM 547 C ALA A 36 -16.760 -4.739 -1.691 1.00 1.00 C ATOM 548 O ALA A 36 -17.517 -4.743 -0.740 1.00 1.00 O ATOM 549 CB ALA A 36 -17.673 -3.727 -3.804 1.00 1.00 C ATOM 0 H ALA A 36 -15.345 -3.124 -4.244 1.00 1.00 H new ATOM 0 HA ALA A 36 -16.923 -2.655 -2.052 1.00 1.00 H new ATOM 0 HB1 ALA A 36 -18.689 -3.795 -3.416 1.00 1.00 H new ATOM 0 HB2 ALA A 36 -17.599 -2.876 -4.481 1.00 1.00 H new ATOM 0 HB3 ALA A 36 -17.429 -4.642 -4.343 1.00 1.00 H new ATOM 555 N THR A 37 -15.973 -5.754 -1.932 1.00 1.00 N ATOM 556 CA THR A 37 -16.001 -6.940 -1.029 1.00 1.00 C ATOM 557 C THR A 37 -15.627 -6.515 0.391 1.00 1.00 C ATOM 558 O THR A 37 -16.301 -6.844 1.347 1.00 1.00 O ATOM 559 CB THR A 37 -14.959 -7.905 -1.593 1.00 1.00 C ATOM 560 OG1 THR A 37 -15.193 -8.095 -2.982 1.00 1.00 O ATOM 561 CG2 THR A 37 -15.065 -9.247 -0.866 1.00 1.00 C ATOM 0 H THR A 37 -15.316 -5.813 -2.710 1.00 1.00 H new ATOM 0 HA THR A 37 -16.987 -7.401 -0.981 1.00 1.00 H new ATOM 0 HB THR A 37 -13.961 -7.492 -1.448 1.00 1.00 H new ATOM 0 HG1 THR A 37 -14.748 -7.384 -3.489 1.00 1.00 H new ATOM 0 HG21 THR A 37 -14.323 -9.937 -1.266 1.00 1.00 H new ATOM 0 HG22 THR A 37 -14.886 -9.099 0.199 1.00 1.00 H new ATOM 0 HG23 THR A 37 -16.062 -9.662 -1.012 1.00 1.00 H new ATOM 569 N HIS A 38 -14.568 -5.765 0.535 1.00 1.00 N ATOM 570 CA HIS A 38 -14.172 -5.302 1.894 1.00 1.00 C ATOM 571 C HIS A 38 -15.302 -4.451 2.472 1.00 1.00 C ATOM 572 O HIS A 38 -15.508 -4.392 3.668 1.00 1.00 O ATOM 573 CB HIS A 38 -12.913 -4.460 1.681 1.00 1.00 C ATOM 574 CG HIS A 38 -13.071 -3.135 2.375 1.00 1.00 C ATOM 575 ND1 HIS A 38 -11.983 -2.382 2.785 1.00 1.00 N ATOM 576 CD2 HIS A 38 -14.184 -2.417 2.738 1.00 1.00 C ATOM 577 CE1 HIS A 38 -12.459 -1.265 3.365 1.00 1.00 C ATOM 578 NE2 HIS A 38 -13.795 -1.236 3.363 1.00 1.00 N ATOM 0 H HIS A 38 -13.963 -5.455 -0.226 1.00 1.00 H new ATOM 0 HA HIS A 38 -13.984 -6.122 2.587 1.00 1.00 H new ATOM 0 HB2 HIS A 38 -12.041 -4.985 2.071 1.00 1.00 H new ATOM 0 HB3 HIS A 38 -12.742 -4.306 0.616 1.00 1.00 H new ATOM 0 HD1 HIS A 38 -11.000 -2.629 2.668 1.00 1.00 H new ATOM 0 HD2 HIS A 38 -15.205 -2.722 2.565 1.00 1.00 H new ATOM 0 HE1 HIS A 38 -11.837 -0.487 3.781 1.00 1.00 H new ATOM 586 N ILE A 39 -16.042 -3.802 1.616 1.00 1.00 N ATOM 587 CA ILE A 39 -17.177 -2.958 2.083 1.00 1.00 C ATOM 588 C ILE A 39 -18.453 -3.802 2.142 1.00 1.00 C ATOM 589 O ILE A 39 -19.123 -3.867 3.151 1.00 1.00 O ATOM 590 CB ILE A 39 -17.305 -1.862 1.027 1.00 1.00 C ATOM 591 CG1 ILE A 39 -16.466 -0.653 1.441 1.00 1.00 C ATOM 592 CG2 ILE A 39 -18.770 -1.445 0.892 1.00 1.00 C ATOM 593 CD1 ILE A 39 -15.274 -0.515 0.494 1.00 1.00 C ATOM 0 H ILE A 39 -15.908 -3.821 0.605 1.00 1.00 H new ATOM 0 HA ILE A 39 -17.017 -2.545 3.079 1.00 1.00 H new ATOM 0 HB ILE A 39 -16.948 -2.241 0.069 1.00 1.00 H new ATOM 0 HG12 ILE A 39 -17.073 0.252 1.413 1.00 1.00 H new ATOM 0 HG13 ILE A 39 -16.118 -0.772 2.467 1.00 1.00 H new ATOM 0 HG21 ILE A 39 -18.858 -0.663 0.138 1.00 1.00 H new ATOM 0 HG22 ILE A 39 -19.367 -2.306 0.593 1.00 1.00 H new ATOM 0 HG23 ILE A 39 -19.131 -1.068 1.849 1.00 1.00 H new ATOM 0 HD11 ILE A 39 -14.674 0.347 0.787 1.00 1.00 H new ATOM 0 HD12 ILE A 39 -14.663 -1.416 0.544 1.00 1.00 H new ATOM 0 HD13 ILE A 39 -15.634 -0.377 -0.526 1.00 1.00 H new ATOM 605 N LEU A 40 -18.782 -4.455 1.060 1.00 1.00 N ATOM 606 CA LEU A 40 -20.006 -5.306 1.044 1.00 1.00 C ATOM 607 C LEU A 40 -19.657 -6.734 1.468 1.00 1.00 C ATOM 608 O LEU A 40 -20.307 -7.319 2.312 1.00 1.00 O ATOM 609 CB LEU A 40 -20.489 -5.278 -0.408 1.00 1.00 C ATOM 610 CG LEU A 40 -21.773 -4.451 -0.502 1.00 1.00 C ATOM 611 CD1 LEU A 40 -22.868 -5.111 0.337 1.00 1.00 C ATOM 612 CD2 LEU A 40 -21.509 -3.040 0.026 1.00 1.00 C ATOM 0 H LEU A 40 -18.256 -4.436 0.186 1.00 1.00 H new ATOM 0 HA LEU A 40 -20.771 -4.947 1.733 1.00 1.00 H new ATOM 0 HB2 LEU A 40 -19.720 -4.849 -1.050 1.00 1.00 H new ATOM 0 HB3 LEU A 40 -20.671 -6.293 -0.762 1.00 1.00 H new ATOM 0 HG LEU A 40 -22.095 -4.397 -1.542 1.00 1.00 H new ATOM 0 HD11 LEU A 40 -23.783 -4.522 0.270 1.00 1.00 H new ATOM 0 HD12 LEU A 40 -23.056 -6.117 -0.037 1.00 1.00 H new ATOM 0 HD13 LEU A 40 -22.547 -5.165 1.377 1.00 1.00 H new ATOM 0 HD21 LEU A 40 -22.423 -2.450 -0.040 1.00 1.00 H new ATOM 0 HD22 LEU A 40 -21.187 -3.095 1.066 1.00 1.00 H new ATOM 0 HD23 LEU A 40 -20.728 -2.568 -0.571 1.00 1.00 H new ATOM 624 N LYS A 41 -18.628 -7.300 0.895 1.00 1.00 N ATOM 625 CA LYS A 41 -18.236 -8.689 1.274 1.00 1.00 C ATOM 626 C LYS A 41 -17.759 -8.715 2.727 1.00 1.00 C ATOM 627 O LYS A 41 -17.821 -9.727 3.396 1.00 1.00 O ATOM 628 CB LYS A 41 -17.092 -9.054 0.326 1.00 1.00 C ATOM 629 CG LYS A 41 -16.942 -10.575 0.269 1.00 1.00 C ATOM 630 CD LYS A 41 -15.588 -10.979 0.856 1.00 1.00 C ATOM 631 CE LYS A 41 -15.519 -12.502 0.982 1.00 1.00 C ATOM 632 NZ LYS A 41 -14.392 -12.761 1.919 1.00 1.00 N ATOM 0 H LYS A 41 -18.044 -6.862 0.183 1.00 1.00 H new ATOM 0 HA LYS A 41 -19.065 -9.392 1.195 1.00 1.00 H new ATOM 0 HB2 LYS A 41 -17.292 -8.660 -0.671 1.00 1.00 H new ATOM 0 HB3 LYS A 41 -16.163 -8.599 0.668 1.00 1.00 H new ATOM 0 HG2 LYS A 41 -17.748 -11.051 0.827 1.00 1.00 H new ATOM 0 HG3 LYS A 41 -17.020 -10.920 -0.762 1.00 1.00 H new ATOM 0 HD2 LYS A 41 -14.781 -10.620 0.217 1.00 1.00 H new ATOM 0 HD3 LYS A 41 -15.451 -10.516 1.833 1.00 1.00 H new ATOM 0 HE2 LYS A 41 -16.454 -12.909 1.367 1.00 1.00 H new ATOM 0 HE3 LYS A 41 -15.343 -12.970 0.014 1.00 1.00 H new ATOM 0 HZ1 LYS A 41 -13.675 -13.348 1.446 1.00 1.00 H new ATOM 0 HZ2 LYS A 41 -13.965 -11.857 2.207 1.00 1.00 H new ATOM 0 HZ3 LYS A 41 -14.747 -13.259 2.760 1.00 1.00 H new ATOM 645 N ALA A 42 -17.292 -7.602 3.220 1.00 1.00 N ATOM 646 CA ALA A 42 -16.817 -7.553 4.631 1.00 1.00 C ATOM 647 C ALA A 42 -18.017 -7.505 5.581 1.00 1.00 C ATOM 648 O ALA A 42 -17.919 -7.846 6.743 1.00 1.00 O ATOM 649 CB ALA A 42 -16.000 -6.264 4.731 1.00 1.00 C ATOM 0 H ALA A 42 -17.219 -6.724 2.707 1.00 1.00 H new ATOM 0 HA ALA A 42 -16.226 -8.428 4.903 1.00 1.00 H new ATOM 0 HB1 ALA A 42 -15.614 -6.156 5.745 1.00 1.00 H new ATOM 0 HB2 ALA A 42 -15.168 -6.305 4.028 1.00 1.00 H new ATOM 0 HB3 ALA A 42 -16.635 -5.411 4.491 1.00 1.00 H new ATOM 655 N ALA A 43 -19.150 -7.079 5.091 1.00 1.00 N ATOM 656 CA ALA A 43 -20.358 -7.005 5.962 1.00 1.00 C ATOM 657 C ALA A 43 -21.366 -8.091 5.575 1.00 1.00 C ATOM 658 O ALA A 43 -22.419 -8.210 6.168 1.00 1.00 O ATOM 659 CB ALA A 43 -20.943 -5.616 5.710 1.00 1.00 C ATOM 0 H ALA A 43 -19.291 -6.779 4.126 1.00 1.00 H new ATOM 0 HA ALA A 43 -20.116 -7.163 7.013 1.00 1.00 H new ATOM 0 HB1 ALA A 43 -21.839 -5.483 6.317 1.00 1.00 H new ATOM 0 HB2 ALA A 43 -20.207 -4.857 5.977 1.00 1.00 H new ATOM 0 HB3 ALA A 43 -21.201 -5.516 4.656 1.00 1.00 H new ATOM 665 N ASN A 44 -21.057 -8.884 4.584 1.00 1.00 N ATOM 666 CA ASN A 44 -22.008 -9.956 4.169 1.00 1.00 C ATOM 667 C ASN A 44 -21.249 -11.194 3.683 1.00 1.00 C ATOM 668 O ASN A 44 -21.826 -12.107 3.127 1.00 1.00 O ATOM 669 CB ASN A 44 -22.819 -9.345 3.029 1.00 1.00 C ATOM 670 CG ASN A 44 -22.902 -7.828 3.216 1.00 1.00 C ATOM 671 OD1 ASN A 44 -23.978 -7.278 3.339 1.00 1.00 O ATOM 672 ND2 ASN A 44 -21.803 -7.125 3.241 1.00 1.00 N ATOM 0 H ASN A 44 -20.192 -8.837 4.046 1.00 1.00 H new ATOM 0 HA ASN A 44 -22.640 -10.282 4.995 1.00 1.00 H new ATOM 0 HB2 ASN A 44 -22.354 -9.579 2.072 1.00 1.00 H new ATOM 0 HB3 ASN A 44 -23.820 -9.775 3.010 1.00 1.00 H new ATOM 0 HD21 ASN A 44 -21.847 -6.113 3.364 1.00 1.00 H new ATOM 0 HD22 ASN A 44 -20.900 -7.587 3.138 1.00 1.00 H new ATOM 679 N PHE A 45 -19.960 -11.236 3.889 1.00 1.00 N ATOM 680 CA PHE A 45 -19.174 -12.420 3.437 1.00 1.00 C ATOM 681 C PHE A 45 -19.282 -12.578 1.917 1.00 1.00 C ATOM 682 O PHE A 45 -20.194 -12.071 1.295 1.00 1.00 O ATOM 683 CB PHE A 45 -19.813 -13.615 4.146 1.00 1.00 C ATOM 684 CG PHE A 45 -18.733 -14.567 4.599 1.00 1.00 C ATOM 685 CD1 PHE A 45 -18.153 -14.418 5.864 1.00 1.00 C ATOM 686 CD2 PHE A 45 -18.312 -15.601 3.754 1.00 1.00 C ATOM 687 CE1 PHE A 45 -17.151 -15.301 6.284 1.00 1.00 C ATOM 688 CE2 PHE A 45 -17.311 -16.485 4.173 1.00 1.00 C ATOM 689 CZ PHE A 45 -16.730 -16.335 5.438 1.00 1.00 C ATOM 0 H PHE A 45 -19.419 -10.504 4.349 1.00 1.00 H new ATOM 0 HA PHE A 45 -18.114 -12.325 3.672 1.00 1.00 H new ATOM 0 HB2 PHE A 45 -20.395 -13.275 5.002 1.00 1.00 H new ATOM 0 HB3 PHE A 45 -20.503 -14.124 3.473 1.00 1.00 H new ATOM 0 HD1 PHE A 45 -18.479 -13.621 6.517 1.00 1.00 H new ATOM 0 HD2 PHE A 45 -18.760 -15.717 2.778 1.00 1.00 H new ATOM 0 HE1 PHE A 45 -16.703 -15.185 7.260 1.00 1.00 H new ATOM 0 HE2 PHE A 45 -16.987 -17.282 3.521 1.00 1.00 H new ATOM 0 HZ PHE A 45 -15.957 -17.017 5.762 1.00 1.00 H new ATOM 699 N ALA A 46 -18.356 -13.272 1.315 1.00 1.00 N ATOM 700 CA ALA A 46 -18.407 -13.455 -0.164 1.00 1.00 C ATOM 701 C ALA A 46 -19.246 -14.683 -0.526 1.00 1.00 C ATOM 702 O ALA A 46 -18.793 -15.808 -0.457 1.00 1.00 O ATOM 703 CB ALA A 46 -16.952 -13.651 -0.592 1.00 1.00 C ATOM 0 H ALA A 46 -17.567 -13.720 1.782 1.00 1.00 H new ATOM 0 HA ALA A 46 -18.868 -12.604 -0.665 1.00 1.00 H new ATOM 0 HB1 ALA A 46 -16.906 -13.793 -1.672 1.00 1.00 H new ATOM 0 HB2 ALA A 46 -16.370 -12.771 -0.316 1.00 1.00 H new ATOM 0 HB3 ALA A 46 -16.541 -14.529 -0.093 1.00 1.00 H new ATOM 709 N LYS A 47 -20.467 -14.461 -0.919 1.00 1.00 N ATOM 710 CA LYS A 47 -21.362 -15.589 -1.302 1.00 1.00 C ATOM 711 C LYS A 47 -22.276 -15.126 -2.434 1.00 1.00 C ATOM 712 O LYS A 47 -22.056 -14.086 -3.024 1.00 1.00 O ATOM 713 CB LYS A 47 -22.171 -15.906 -0.044 1.00 1.00 C ATOM 714 CG LYS A 47 -23.239 -16.951 -0.374 1.00 1.00 C ATOM 715 CD LYS A 47 -23.426 -17.887 0.822 1.00 1.00 C ATOM 716 CE LYS A 47 -22.753 -19.230 0.530 1.00 1.00 C ATOM 717 NZ LYS A 47 -22.581 -19.871 1.863 1.00 1.00 N ATOM 0 H LYS A 47 -20.889 -13.535 -0.992 1.00 1.00 H new ATOM 0 HA LYS A 47 -20.819 -16.468 -1.651 1.00 1.00 H new ATOM 0 HB2 LYS A 47 -21.512 -16.279 0.740 1.00 1.00 H new ATOM 0 HB3 LYS A 47 -22.640 -14.999 0.338 1.00 1.00 H new ATOM 0 HG2 LYS A 47 -24.181 -16.459 -0.615 1.00 1.00 H new ATOM 0 HG3 LYS A 47 -22.944 -17.523 -1.254 1.00 1.00 H new ATOM 0 HD2 LYS A 47 -22.996 -17.440 1.718 1.00 1.00 H new ATOM 0 HD3 LYS A 47 -24.488 -18.035 1.018 1.00 1.00 H new ATOM 0 HE2 LYS A 47 -23.367 -19.845 -0.128 1.00 1.00 H new ATOM 0 HE3 LYS A 47 -21.794 -19.091 0.032 1.00 1.00 H new ATOM 0 HZ1 LYS A 47 -22.125 -20.798 1.746 1.00 1.00 H new ATOM 0 HZ2 LYS A 47 -21.986 -19.266 2.465 1.00 1.00 H new ATOM 0 HZ3 LYS A 47 -23.511 -19.997 2.310 1.00 1.00 H new ATOM 730 N ALA A 48 -23.306 -15.863 -2.743 1.00 1.00 N ATOM 731 CA ALA A 48 -24.206 -15.408 -3.837 1.00 1.00 C ATOM 732 C ALA A 48 -24.615 -13.969 -3.542 1.00 1.00 C ATOM 733 O ALA A 48 -24.933 -13.202 -4.429 1.00 1.00 O ATOM 734 CB ALA A 48 -25.415 -16.342 -3.783 1.00 1.00 C ATOM 0 H ALA A 48 -23.560 -16.744 -2.295 1.00 1.00 H new ATOM 0 HA ALA A 48 -23.742 -15.436 -4.823 1.00 1.00 H new ATOM 0 HB1 ALA A 48 -26.124 -16.065 -4.564 1.00 1.00 H new ATOM 0 HB2 ALA A 48 -25.088 -17.370 -3.938 1.00 1.00 H new ATOM 0 HB3 ALA A 48 -25.897 -16.257 -2.809 1.00 1.00 H new ATOM 740 N LYS A 49 -24.566 -13.592 -2.295 1.00 1.00 N ATOM 741 CA LYS A 49 -24.904 -12.193 -1.925 1.00 1.00 C ATOM 742 C LYS A 49 -23.821 -11.258 -2.467 1.00 1.00 C ATOM 743 O LYS A 49 -24.102 -10.289 -3.145 1.00 1.00 O ATOM 744 CB LYS A 49 -24.918 -12.177 -0.396 1.00 1.00 C ATOM 745 CG LYS A 49 -26.328 -11.849 0.100 1.00 1.00 C ATOM 746 CD LYS A 49 -27.034 -13.139 0.522 1.00 1.00 C ATOM 747 CE LYS A 49 -27.569 -13.860 -0.718 1.00 1.00 C ATOM 748 NZ LYS A 49 -28.391 -14.981 -0.187 1.00 1.00 N ATOM 0 H LYS A 49 -24.305 -14.196 -1.515 1.00 1.00 H new ATOM 0 HA LYS A 49 -25.859 -11.863 -2.334 1.00 1.00 H new ATOM 0 HB2 LYS A 49 -24.601 -13.146 -0.009 1.00 1.00 H new ATOM 0 HB3 LYS A 49 -24.209 -11.438 -0.023 1.00 1.00 H new ATOM 0 HG2 LYS A 49 -26.277 -11.158 0.941 1.00 1.00 H new ATOM 0 HG3 LYS A 49 -26.895 -11.352 -0.687 1.00 1.00 H new ATOM 0 HD2 LYS A 49 -26.341 -13.785 1.060 1.00 1.00 H new ATOM 0 HD3 LYS A 49 -27.853 -12.911 1.204 1.00 1.00 H new ATOM 0 HE2 LYS A 49 -28.167 -13.191 -1.336 1.00 1.00 H new ATOM 0 HE3 LYS A 49 -26.755 -14.229 -1.342 1.00 1.00 H new ATOM 0 HZ1 LYS A 49 -28.792 -15.523 -0.979 1.00 1.00 H new ATOM 0 HZ2 LYS A 49 -27.794 -15.605 0.392 1.00 1.00 H new ATOM 0 HZ3 LYS A 49 -29.162 -14.600 0.397 1.00 1.00 H new ATOM 761 N ARG A 50 -22.576 -11.553 -2.181 1.00 1.00 N ATOM 762 CA ARG A 50 -21.471 -10.691 -2.684 1.00 1.00 C ATOM 763 C ARG A 50 -21.467 -10.688 -4.213 1.00 1.00 C ATOM 764 O ARG A 50 -21.032 -9.743 -4.839 1.00 1.00 O ATOM 765 CB ARG A 50 -20.191 -11.333 -2.145 1.00 1.00 C ATOM 766 CG ARG A 50 -19.622 -10.473 -1.016 1.00 1.00 C ATOM 767 CD ARG A 50 -19.514 -9.020 -1.484 1.00 1.00 C ATOM 768 NE ARG A 50 -20.221 -8.226 -0.440 1.00 1.00 N ATOM 769 CZ ARG A 50 -21.329 -8.676 0.083 1.00 1.00 C ATOM 770 NH1 ARG A 50 -21.819 -9.820 -0.309 1.00 1.00 N ATOM 771 NH2 ARG A 50 -21.947 -7.980 0.998 1.00 1.00 N ATOM 0 H ARG A 50 -22.282 -12.353 -1.621 1.00 1.00 H new ATOM 0 HA ARG A 50 -21.572 -9.655 -2.362 1.00 1.00 H new ATOM 0 HB2 ARG A 50 -20.402 -12.338 -1.779 1.00 1.00 H new ATOM 0 HB3 ARG A 50 -19.457 -11.433 -2.945 1.00 1.00 H new ATOM 0 HG2 ARG A 50 -20.264 -10.536 -0.138 1.00 1.00 H new ATOM 0 HG3 ARG A 50 -18.641 -10.845 -0.721 1.00 1.00 H new ATOM 0 HD2 ARG A 50 -18.473 -8.712 -1.577 1.00 1.00 H new ATOM 0 HD3 ARG A 50 -19.975 -8.885 -2.462 1.00 1.00 H new ATOM 0 HE ARG A 50 -19.839 -7.331 -0.134 1.00 1.00 H new ATOM 0 HH11 ARG A 50 -21.336 -10.363 -1.025 1.00 1.00 H new ATOM 0 HH12 ARG A 50 -22.685 -10.171 0.100 1.00 1.00 H new ATOM 0 HH21 ARG A 50 -21.564 -7.085 1.304 1.00 1.00 H new ATOM 0 HH22 ARG A 50 -22.813 -8.331 1.407 1.00 1.00 H new ATOM 784 N THR A 51 -21.958 -11.734 -4.818 1.00 1.00 N ATOM 785 CA THR A 51 -21.990 -11.781 -6.307 1.00 1.00 C ATOM 786 C THR A 51 -22.939 -10.704 -6.832 1.00 1.00 C ATOM 787 O THR A 51 -22.694 -10.086 -7.849 1.00 1.00 O ATOM 788 CB THR A 51 -22.511 -13.177 -6.653 1.00 1.00 C ATOM 789 OG1 THR A 51 -21.609 -14.155 -6.153 1.00 1.00 O ATOM 790 CG2 THR A 51 -22.629 -13.318 -8.171 1.00 1.00 C ATOM 0 H THR A 51 -22.337 -12.556 -4.348 1.00 1.00 H new ATOM 0 HA THR A 51 -21.013 -11.598 -6.754 1.00 1.00 H new ATOM 0 HB THR A 51 -23.492 -13.321 -6.200 1.00 1.00 H new ATOM 0 HG1 THR A 51 -21.716 -14.233 -5.182 1.00 1.00 H new ATOM 0 HG21 THR A 51 -23.000 -14.313 -8.416 1.00 1.00 H new ATOM 0 HG22 THR A 51 -23.321 -12.568 -8.553 1.00 1.00 H new ATOM 0 HG23 THR A 51 -21.650 -13.174 -8.627 1.00 1.00 H new ATOM 798 N ARG A 52 -24.018 -10.469 -6.137 1.00 1.00 N ATOM 799 CA ARG A 52 -24.979 -9.423 -6.588 1.00 1.00 C ATOM 800 C ARG A 52 -24.672 -8.104 -5.876 1.00 1.00 C ATOM 801 O ARG A 52 -24.357 -7.109 -6.497 1.00 1.00 O ATOM 802 CB ARG A 52 -26.358 -9.947 -6.183 1.00 1.00 C ATOM 803 CG ARG A 52 -27.117 -10.403 -7.431 1.00 1.00 C ATOM 804 CD ARG A 52 -26.525 -9.722 -8.667 1.00 1.00 C ATOM 805 NE ARG A 52 -25.305 -10.512 -8.992 1.00 1.00 N ATOM 806 CZ ARG A 52 -24.990 -10.744 -10.238 1.00 1.00 C ATOM 807 NH1 ARG A 52 -25.743 -10.281 -11.198 1.00 1.00 N ATOM 808 NH2 ARG A 52 -23.921 -11.438 -10.523 1.00 1.00 N ATOM 0 H ARG A 52 -24.275 -10.955 -5.278 1.00 1.00 H new ATOM 0 HA ARG A 52 -24.921 -9.234 -7.660 1.00 1.00 H new ATOM 0 HB2 ARG A 52 -26.253 -10.777 -5.485 1.00 1.00 H new ATOM 0 HB3 ARG A 52 -26.919 -9.167 -5.668 1.00 1.00 H new ATOM 0 HG2 ARG A 52 -27.052 -11.486 -7.533 1.00 1.00 H new ATOM 0 HG3 ARG A 52 -28.174 -10.155 -7.337 1.00 1.00 H new ATOM 0 HD2 ARG A 52 -27.231 -9.727 -9.497 1.00 1.00 H new ATOM 0 HD3 ARG A 52 -26.278 -8.680 -8.464 1.00 1.00 H new ATOM 0 HE ARG A 52 -24.715 -10.872 -8.241 1.00 1.00 H new ATOM 0 HH11 ARG A 52 -26.577 -9.738 -10.975 1.00 1.00 H new ATOM 0 HH12 ARG A 52 -25.497 -10.462 -12.171 1.00 1.00 H new ATOM 0 HH21 ARG A 52 -23.332 -11.799 -9.772 1.00 1.00 H new ATOM 0 HH22 ARG A 52 -23.675 -11.619 -11.496 1.00 1.00 H new ATOM 821 N ILE A 53 -24.764 -8.093 -4.574 1.00 1.00 N ATOM 822 CA ILE A 53 -24.479 -6.839 -3.820 1.00 1.00 C ATOM 823 C ILE A 53 -23.193 -6.193 -4.346 1.00 1.00 C ATOM 824 O ILE A 53 -23.134 -5.000 -4.569 1.00 1.00 O ATOM 825 CB ILE A 53 -24.303 -7.280 -2.367 1.00 1.00 C ATOM 826 CG1 ILE A 53 -25.680 -7.448 -1.719 1.00 1.00 C ATOM 827 CG2 ILE A 53 -23.507 -6.221 -1.604 1.00 1.00 C ATOM 828 CD1 ILE A 53 -25.775 -8.829 -1.070 1.00 1.00 C ATOM 0 H ILE A 53 -25.024 -8.896 -4.001 1.00 1.00 H new ATOM 0 HA ILE A 53 -25.274 -6.101 -3.926 1.00 1.00 H new ATOM 0 HB ILE A 53 -23.766 -8.228 -2.336 1.00 1.00 H new ATOM 0 HG12 ILE A 53 -25.838 -6.671 -0.971 1.00 1.00 H new ATOM 0 HG13 ILE A 53 -26.463 -7.333 -2.469 1.00 1.00 H new ATOM 0 HG21 ILE A 53 -23.382 -6.536 -0.568 1.00 1.00 H new ATOM 0 HG22 ILE A 53 -22.528 -6.098 -2.067 1.00 1.00 H new ATOM 0 HG23 ILE A 53 -24.043 -5.272 -1.632 1.00 1.00 H new ATOM 0 HD11 ILE A 53 -26.756 -8.948 -0.609 1.00 1.00 H new ATOM 0 HD12 ILE A 53 -25.636 -9.598 -1.829 1.00 1.00 H new ATOM 0 HD13 ILE A 53 -25.002 -8.927 -0.308 1.00 1.00 H new ATOM 840 N LEU A 54 -22.170 -6.974 -4.570 1.00 1.00 N ATOM 841 CA LEU A 54 -20.906 -6.395 -5.108 1.00 1.00 C ATOM 842 C LEU A 54 -21.137 -5.922 -6.545 1.00 1.00 C ATOM 843 O LEU A 54 -20.949 -4.766 -6.873 1.00 1.00 O ATOM 844 CB LEU A 54 -19.893 -7.541 -5.077 1.00 1.00 C ATOM 845 CG LEU A 54 -19.306 -7.668 -3.671 1.00 1.00 C ATOM 846 CD1 LEU A 54 -18.616 -9.025 -3.527 1.00 1.00 C ATOM 847 CD2 LEU A 54 -18.285 -6.551 -3.442 1.00 1.00 C ATOM 0 H LEU A 54 -22.155 -7.980 -4.405 1.00 1.00 H new ATOM 0 HA LEU A 54 -20.558 -5.538 -4.531 1.00 1.00 H new ATOM 0 HB2 LEU A 54 -20.376 -8.475 -5.366 1.00 1.00 H new ATOM 0 HB3 LEU A 54 -19.098 -7.356 -5.799 1.00 1.00 H new ATOM 0 HG LEU A 54 -20.106 -7.587 -2.935 1.00 1.00 H new ATOM 0 HD11 LEU A 54 -18.197 -9.116 -2.525 1.00 1.00 H new ATOM 0 HD12 LEU A 54 -19.342 -9.821 -3.691 1.00 1.00 H new ATOM 0 HD13 LEU A 54 -17.816 -9.106 -4.263 1.00 1.00 H new ATOM 0 HD21 LEU A 54 -17.866 -6.641 -2.440 1.00 1.00 H new ATOM 0 HD22 LEU A 54 -17.485 -6.632 -4.178 1.00 1.00 H new ATOM 0 HD23 LEU A 54 -18.776 -5.583 -3.545 1.00 1.00 H new ATOM 859 N GLU A 55 -21.548 -6.817 -7.400 1.00 1.00 N ATOM 860 CA GLU A 55 -21.801 -6.442 -8.821 1.00 1.00 C ATOM 861 C GLU A 55 -22.985 -5.476 -8.908 1.00 1.00 C ATOM 862 O GLU A 55 -22.904 -4.437 -9.532 1.00 1.00 O ATOM 863 CB GLU A 55 -22.130 -7.758 -9.526 1.00 1.00 C ATOM 864 CG GLU A 55 -23.604 -7.762 -9.940 1.00 1.00 C ATOM 865 CD GLU A 55 -23.707 -7.870 -11.462 1.00 1.00 C ATOM 866 OE1 GLU A 55 -22.849 -8.509 -12.050 1.00 1.00 O ATOM 867 OE2 GLU A 55 -24.643 -7.315 -12.013 1.00 1.00 O ATOM 0 H GLU A 55 -21.721 -7.797 -7.175 1.00 1.00 H new ATOM 0 HA GLU A 55 -20.946 -5.940 -9.275 1.00 1.00 H new ATOM 0 HB2 GLU A 55 -21.495 -7.881 -10.403 1.00 1.00 H new ATOM 0 HB3 GLU A 55 -21.925 -8.599 -8.863 1.00 1.00 H new ATOM 0 HG2 GLU A 55 -24.122 -8.598 -9.470 1.00 1.00 H new ATOM 0 HG3 GLU A 55 -24.092 -6.850 -9.596 1.00 1.00 H new ATOM 874 N LYS A 56 -24.082 -5.806 -8.282 1.00 1.00 N ATOM 875 CA LYS A 56 -25.266 -4.900 -8.328 1.00 1.00 C ATOM 876 C LYS A 56 -24.979 -3.623 -7.536 1.00 1.00 C ATOM 877 O LYS A 56 -25.423 -2.549 -7.889 1.00 1.00 O ATOM 878 CB LYS A 56 -26.399 -5.695 -7.678 1.00 1.00 C ATOM 879 CG LYS A 56 -26.947 -4.917 -6.479 1.00 1.00 C ATOM 880 CD LYS A 56 -26.600 -5.660 -5.187 1.00 1.00 C ATOM 881 CE LYS A 56 -27.845 -5.756 -4.303 1.00 1.00 C ATOM 882 NZ LYS A 56 -27.322 -5.813 -2.910 1.00 1.00 N ATOM 0 H LYS A 56 -24.210 -6.662 -7.742 1.00 1.00 H new ATOM 0 HA LYS A 56 -25.517 -4.595 -9.344 1.00 1.00 H new ATOM 0 HB2 LYS A 56 -27.194 -5.874 -8.402 1.00 1.00 H new ATOM 0 HB3 LYS A 56 -26.035 -6.671 -7.356 1.00 1.00 H new ATOM 0 HG2 LYS A 56 -26.523 -3.913 -6.459 1.00 1.00 H new ATOM 0 HG3 LYS A 56 -28.028 -4.805 -6.568 1.00 1.00 H new ATOM 0 HD2 LYS A 56 -26.227 -6.658 -5.418 1.00 1.00 H new ATOM 0 HD3 LYS A 56 -25.804 -5.137 -4.657 1.00 1.00 H new ATOM 0 HE2 LYS A 56 -28.498 -4.895 -4.445 1.00 1.00 H new ATOM 0 HE3 LYS A 56 -28.431 -6.643 -4.541 1.00 1.00 H new ATOM 0 HZ1 LYS A 56 -27.875 -5.173 -2.305 1.00 1.00 H new ATOM 0 HZ2 LYS A 56 -27.402 -6.785 -2.549 1.00 1.00 H new ATOM 0 HZ3 LYS A 56 -26.324 -5.521 -2.902 1.00 1.00 H new ATOM 895 N GLU A 57 -24.234 -3.732 -6.470 1.00 1.00 N ATOM 896 CA GLU A 57 -23.913 -2.523 -5.660 1.00 1.00 C ATOM 897 C GLU A 57 -22.613 -1.891 -6.161 1.00 1.00 C ATOM 898 O GLU A 57 -22.489 -0.685 -6.244 1.00 1.00 O ATOM 899 CB GLU A 57 -23.746 -3.036 -4.230 1.00 1.00 C ATOM 900 CG GLU A 57 -24.315 -2.009 -3.249 1.00 1.00 C ATOM 901 CD GLU A 57 -25.082 -2.732 -2.140 1.00 1.00 C ATOM 902 OE1 GLU A 57 -25.509 -3.850 -2.374 1.00 1.00 O ATOM 903 OE2 GLU A 57 -25.231 -2.154 -1.075 1.00 1.00 O ATOM 0 H GLU A 57 -23.834 -4.605 -6.125 1.00 1.00 H new ATOM 0 HA GLU A 57 -24.687 -1.759 -5.727 1.00 1.00 H new ATOM 0 HB2 GLU A 57 -24.260 -3.990 -4.112 1.00 1.00 H new ATOM 0 HB3 GLU A 57 -22.692 -3.213 -4.017 1.00 1.00 H new ATOM 0 HG2 GLU A 57 -23.508 -1.415 -2.820 1.00 1.00 H new ATOM 0 HG3 GLU A 57 -24.976 -1.318 -3.772 1.00 1.00 H new ATOM 910 N VAL A 58 -21.643 -2.697 -6.497 1.00 1.00 N ATOM 911 CA VAL A 58 -20.353 -2.143 -6.994 1.00 1.00 C ATOM 912 C VAL A 58 -20.325 -2.157 -8.526 1.00 1.00 C ATOM 913 O VAL A 58 -19.992 -1.173 -9.156 1.00 1.00 O ATOM 914 CB VAL A 58 -19.282 -3.073 -6.429 1.00 1.00 C ATOM 915 CG1 VAL A 58 -18.049 -2.257 -6.037 1.00 1.00 C ATOM 916 CG2 VAL A 58 -19.831 -3.790 -5.193 1.00 1.00 C ATOM 0 H VAL A 58 -21.689 -3.715 -6.449 1.00 1.00 H new ATOM 0 HA VAL A 58 -20.200 -1.109 -6.685 1.00 1.00 H new ATOM 0 HB VAL A 58 -19.005 -3.808 -7.185 1.00 1.00 H new ATOM 0 HG11 VAL A 58 -17.285 -2.922 -5.634 1.00 1.00 H new ATOM 0 HG12 VAL A 58 -17.657 -1.745 -6.916 1.00 1.00 H new ATOM 0 HG13 VAL A 58 -18.325 -1.521 -5.282 1.00 1.00 H new ATOM 0 HG21 VAL A 58 -19.067 -4.454 -4.789 1.00 1.00 H new ATOM 0 HG22 VAL A 58 -20.108 -3.054 -4.438 1.00 1.00 H new ATOM 0 HG23 VAL A 58 -20.709 -4.373 -5.471 1.00 1.00 H new ATOM 926 N LEU A 59 -20.670 -3.263 -9.129 1.00 1.00 N ATOM 927 CA LEU A 59 -20.657 -3.326 -10.620 1.00 1.00 C ATOM 928 C LEU A 59 -21.038 -1.963 -11.200 1.00 1.00 C ATOM 929 O LEU A 59 -20.399 -1.461 -12.104 1.00 1.00 O ATOM 930 CB LEU A 59 -21.707 -4.377 -10.985 1.00 1.00 C ATOM 931 CG LEU A 59 -21.434 -4.902 -12.394 1.00 1.00 C ATOM 932 CD1 LEU A 59 -22.745 -4.963 -13.180 1.00 1.00 C ATOM 933 CD2 LEU A 59 -20.458 -3.963 -13.108 1.00 1.00 C ATOM 0 H LEU A 59 -20.959 -4.120 -8.658 1.00 1.00 H new ATOM 0 HA LEU A 59 -19.675 -3.582 -11.017 1.00 1.00 H new ATOM 0 HB2 LEU A 59 -21.680 -5.198 -10.268 1.00 1.00 H new ATOM 0 HB3 LEU A 59 -22.705 -3.942 -10.934 1.00 1.00 H new ATOM 0 HG LEU A 59 -21.001 -5.900 -12.331 1.00 1.00 H new ATOM 0 HD11 LEU A 59 -22.550 -5.337 -14.185 1.00 1.00 H new ATOM 0 HD12 LEU A 59 -23.442 -5.630 -12.673 1.00 1.00 H new ATOM 0 HD13 LEU A 59 -23.178 -3.965 -13.243 1.00 1.00 H new ATOM 0 HD21 LEU A 59 -20.263 -4.337 -14.113 1.00 1.00 H new ATOM 0 HD22 LEU A 59 -20.893 -2.965 -13.170 1.00 1.00 H new ATOM 0 HD23 LEU A 59 -19.523 -3.917 -12.550 1.00 1.00 H new ATOM 945 N LYS A 60 -22.070 -1.356 -10.681 1.00 1.00 N ATOM 946 CA LYS A 60 -22.488 -0.022 -11.195 1.00 1.00 C ATOM 947 C LYS A 60 -21.787 1.082 -10.398 1.00 1.00 C ATOM 948 O LYS A 60 -21.540 2.162 -10.896 1.00 1.00 O ATOM 949 CB LYS A 60 -23.999 0.034 -10.974 1.00 1.00 C ATOM 950 CG LYS A 60 -24.678 0.586 -12.228 1.00 1.00 C ATOM 951 CD LYS A 60 -23.835 0.245 -13.458 1.00 1.00 C ATOM 952 CE LYS A 60 -24.747 0.096 -14.678 1.00 1.00 C ATOM 953 NZ LYS A 60 -23.822 0.011 -15.841 1.00 1.00 N ATOM 0 H LYS A 60 -22.642 -1.727 -9.922 1.00 1.00 H new ATOM 0 HA LYS A 60 -22.228 0.121 -12.244 1.00 1.00 H new ATOM 0 HB2 LYS A 60 -24.381 -0.962 -10.749 1.00 1.00 H new ATOM 0 HB3 LYS A 60 -24.229 0.665 -10.116 1.00 1.00 H new ATOM 0 HG2 LYS A 60 -25.677 0.162 -12.330 1.00 1.00 H new ATOM 0 HG3 LYS A 60 -24.797 1.666 -12.144 1.00 1.00 H new ATOM 0 HD2 LYS A 60 -23.098 1.028 -13.635 1.00 1.00 H new ATOM 0 HD3 LYS A 60 -23.283 -0.679 -13.289 1.00 1.00 H new ATOM 0 HE2 LYS A 60 -25.367 -0.797 -14.601 1.00 1.00 H new ATOM 0 HE3 LYS A 60 -25.423 0.946 -14.772 1.00 1.00 H new ATOM 0 HZ1 LYS A 60 -24.374 -0.093 -16.717 1.00 1.00 H new ATOM 0 HZ2 LYS A 60 -23.249 0.878 -15.893 1.00 1.00 H new ATOM 0 HZ3 LYS A 60 -23.196 -0.811 -15.727 1.00 1.00 H new ATOM 966 N GLU A 61 -21.469 0.814 -9.161 1.00 1.00 N ATOM 967 CA GLU A 61 -20.787 1.843 -8.325 1.00 1.00 C ATOM 968 C GLU A 61 -19.269 1.637 -8.359 1.00 1.00 C ATOM 969 O GLU A 61 -18.627 1.512 -7.336 1.00 1.00 O ATOM 970 CB GLU A 61 -21.325 1.625 -6.911 1.00 1.00 C ATOM 971 CG GLU A 61 -22.798 1.216 -6.982 1.00 1.00 C ATOM 972 CD GLU A 61 -23.645 2.426 -7.384 1.00 1.00 C ATOM 973 OE1 GLU A 61 -23.437 2.933 -8.474 1.00 1.00 O ATOM 974 OE2 GLU A 61 -24.486 2.822 -6.595 1.00 1.00 O ATOM 0 H GLU A 61 -21.652 -0.073 -8.693 1.00 1.00 H new ATOM 0 HA GLU A 61 -20.977 2.855 -8.683 1.00 1.00 H new ATOM 0 HB2 GLU A 61 -20.746 0.852 -6.405 1.00 1.00 H new ATOM 0 HB3 GLU A 61 -21.218 2.538 -6.325 1.00 1.00 H new ATOM 0 HG2 GLU A 61 -22.928 0.411 -7.705 1.00 1.00 H new ATOM 0 HG3 GLU A 61 -23.127 0.833 -6.016 1.00 1.00 H new ATOM 981 N THR A 62 -18.693 1.603 -9.529 1.00 1.00 N ATOM 982 CA THR A 62 -17.217 1.409 -9.628 1.00 1.00 C ATOM 983 C THR A 62 -16.840 -0.028 -9.260 1.00 1.00 C ATOM 984 O THR A 62 -15.950 -0.264 -8.466 1.00 1.00 O ATOM 985 CB THR A 62 -16.621 2.394 -8.620 1.00 1.00 C ATOM 986 OG1 THR A 62 -17.644 2.848 -7.744 1.00 1.00 O ATOM 987 CG2 THR A 62 -16.018 3.586 -9.365 1.00 1.00 C ATOM 0 H THR A 62 -19.179 1.701 -10.420 1.00 1.00 H new ATOM 0 HA THR A 62 -16.847 1.582 -10.639 1.00 1.00 H new ATOM 0 HB THR A 62 -15.841 1.898 -8.042 1.00 1.00 H new ATOM 0 HG1 THR A 62 -17.983 2.094 -7.218 1.00 1.00 H new ATOM 0 HG21 THR A 62 -15.594 4.287 -8.646 1.00 1.00 H new ATOM 0 HG22 THR A 62 -15.234 3.236 -10.037 1.00 1.00 H new ATOM 0 HG23 THR A 62 -16.796 4.085 -9.943 1.00 1.00 H new ATOM 995 N HIS A 63 -17.507 -0.992 -9.833 1.00 1.00 N ATOM 996 CA HIS A 63 -17.184 -2.414 -9.520 1.00 1.00 C ATOM 997 C HIS A 63 -16.514 -3.078 -10.727 1.00 1.00 C ATOM 998 O HIS A 63 -17.024 -3.040 -11.829 1.00 1.00 O ATOM 999 CB HIS A 63 -18.532 -3.071 -9.226 1.00 1.00 C ATOM 1000 CG HIS A 63 -18.443 -4.546 -9.504 1.00 1.00 C ATOM 1001 ND1 HIS A 63 -18.020 -5.043 -10.728 1.00 1.00 N ATOM 1002 CD2 HIS A 63 -18.719 -5.645 -8.729 1.00 1.00 C ATOM 1003 CE1 HIS A 63 -18.052 -6.386 -10.653 1.00 1.00 C ATOM 1004 NE2 HIS A 63 -18.472 -6.806 -9.457 1.00 1.00 N ATOM 0 H HIS A 63 -18.262 -0.857 -10.505 1.00 1.00 H new ATOM 0 HA HIS A 63 -16.495 -2.508 -8.681 1.00 1.00 H new ATOM 0 HB2 HIS A 63 -18.811 -2.903 -8.186 1.00 1.00 H new ATOM 0 HB3 HIS A 63 -19.310 -2.620 -9.842 1.00 1.00 H new ATOM 0 HD1 HIS A 63 -17.736 -4.491 -11.537 1.00 1.00 H new ATOM 0 HD2 HIS A 63 -19.074 -5.614 -7.709 1.00 1.00 H new ATOM 0 HE1 HIS A 63 -17.772 -7.044 -11.462 1.00 1.00 H new ATOM 1012 N GLU A 64 -15.373 -3.681 -10.530 1.00 1.00 N ATOM 1013 CA GLU A 64 -14.674 -4.338 -11.672 1.00 1.00 C ATOM 1014 C GLU A 64 -13.976 -5.620 -11.212 1.00 1.00 C ATOM 1015 O GLU A 64 -13.621 -5.765 -10.060 1.00 1.00 O ATOM 1016 CB GLU A 64 -13.640 -3.314 -12.139 1.00 1.00 C ATOM 1017 CG GLU A 64 -14.186 -2.544 -13.342 1.00 1.00 C ATOM 1018 CD GLU A 64 -15.161 -3.434 -14.117 1.00 1.00 C ATOM 1019 OE1 GLU A 64 -14.696 -4.320 -14.815 1.00 1.00 O ATOM 1020 OE2 GLU A 64 -16.354 -3.211 -14.001 1.00 1.00 O ATOM 0 H GLU A 64 -14.896 -3.747 -9.631 1.00 1.00 H new ATOM 0 HA GLU A 64 -15.366 -4.622 -12.465 1.00 1.00 H new ATOM 0 HB2 GLU A 64 -13.406 -2.624 -11.329 1.00 1.00 H new ATOM 0 HB3 GLU A 64 -12.711 -3.817 -12.408 1.00 1.00 H new ATOM 0 HG2 GLU A 64 -14.691 -1.637 -13.008 1.00 1.00 H new ATOM 0 HG3 GLU A 64 -13.367 -2.233 -13.990 1.00 1.00 H new ATOM 1027 N LYS A 65 -13.770 -6.546 -12.106 1.00 1.00 N ATOM 1028 CA LYS A 65 -13.084 -7.814 -11.723 1.00 1.00 C ATOM 1029 C LYS A 65 -11.586 -7.703 -12.022 1.00 1.00 C ATOM 1030 O LYS A 65 -11.186 -7.455 -13.142 1.00 1.00 O ATOM 1031 CB LYS A 65 -13.729 -8.893 -12.594 1.00 1.00 C ATOM 1032 CG LYS A 65 -13.238 -10.272 -12.149 1.00 1.00 C ATOM 1033 CD LYS A 65 -14.322 -11.314 -12.429 1.00 1.00 C ATOM 1034 CE LYS A 65 -14.184 -12.473 -11.438 1.00 1.00 C ATOM 1035 NZ LYS A 65 -13.740 -13.632 -12.261 1.00 1.00 N ATOM 0 H LYS A 65 -14.046 -6.481 -13.086 1.00 1.00 H new ATOM 0 HA LYS A 65 -13.184 -8.040 -10.661 1.00 1.00 H new ATOM 0 HB2 LYS A 65 -14.815 -8.839 -12.514 1.00 1.00 H new ATOM 0 HB3 LYS A 65 -13.478 -8.727 -13.642 1.00 1.00 H new ATOM 0 HG2 LYS A 65 -12.322 -10.533 -12.680 1.00 1.00 H new ATOM 0 HG3 LYS A 65 -12.997 -10.259 -11.086 1.00 1.00 H new ATOM 0 HD2 LYS A 65 -15.309 -10.861 -12.339 1.00 1.00 H new ATOM 0 HD3 LYS A 65 -14.232 -11.683 -13.451 1.00 1.00 H new ATOM 0 HE2 LYS A 65 -13.458 -12.241 -10.658 1.00 1.00 H new ATOM 0 HE3 LYS A 65 -15.131 -12.682 -10.940 1.00 1.00 H new ATOM 0 HZ1 LYS A 65 -13.623 -14.466 -11.651 1.00 1.00 H new ATOM 0 HZ2 LYS A 65 -14.453 -13.833 -12.990 1.00 1.00 H new ATOM 0 HZ3 LYS A 65 -12.833 -13.407 -12.717 1.00 1.00 H new ATOM 1048 N VAL A 66 -10.755 -7.876 -11.030 1.00 1.00 N ATOM 1049 CA VAL A 66 -9.286 -7.770 -11.267 1.00 1.00 C ATOM 1050 C VAL A 66 -8.707 -9.131 -11.660 1.00 1.00 C ATOM 1051 O VAL A 66 -8.915 -10.123 -10.991 1.00 1.00 O ATOM 1052 CB VAL A 66 -8.703 -7.306 -9.931 1.00 1.00 C ATOM 1053 CG1 VAL A 66 -8.713 -5.779 -9.871 1.00 1.00 C ATOM 1054 CG2 VAL A 66 -9.551 -7.866 -8.785 1.00 1.00 C ATOM 0 H VAL A 66 -11.028 -8.085 -10.070 1.00 1.00 H new ATOM 0 HA VAL A 66 -9.050 -7.082 -12.079 1.00 1.00 H new ATOM 0 HB VAL A 66 -7.678 -7.666 -9.837 1.00 1.00 H new ATOM 0 HG11 VAL A 66 -8.297 -5.450 -8.919 1.00 1.00 H new ATOM 0 HG12 VAL A 66 -8.112 -5.379 -10.687 1.00 1.00 H new ATOM 0 HG13 VAL A 66 -9.737 -5.418 -9.964 1.00 1.00 H new ATOM 0 HG21 VAL A 66 -9.137 -7.537 -7.832 1.00 1.00 H new ATOM 0 HG22 VAL A 66 -10.575 -7.505 -8.880 1.00 1.00 H new ATOM 0 HG23 VAL A 66 -9.545 -8.955 -8.826 1.00 1.00 H new ATOM 1064 N GLN A 67 -7.980 -9.182 -12.743 1.00 1.00 N ATOM 1065 CA GLN A 67 -7.384 -10.476 -13.183 1.00 1.00 C ATOM 1066 C GLN A 67 -5.989 -10.241 -13.770 1.00 1.00 C ATOM 1067 O GLN A 67 -5.660 -9.150 -14.192 1.00 1.00 O ATOM 1068 CB GLN A 67 -8.336 -11.006 -14.255 1.00 1.00 C ATOM 1069 CG GLN A 67 -9.585 -11.587 -13.589 1.00 1.00 C ATOM 1070 CD GLN A 67 -10.832 -11.091 -14.322 1.00 1.00 C ATOM 1071 OE1 GLN A 67 -11.373 -11.783 -15.160 1.00 1.00 O ATOM 1072 NE2 GLN A 67 -11.314 -9.911 -14.039 1.00 1.00 N ATOM 0 H GLN A 67 -7.773 -8.383 -13.342 1.00 1.00 H new ATOM 0 HA GLN A 67 -7.267 -11.180 -12.359 1.00 1.00 H new ATOM 0 HB2 GLN A 67 -8.615 -10.203 -14.937 1.00 1.00 H new ATOM 0 HB3 GLN A 67 -7.839 -11.772 -14.851 1.00 1.00 H new ATOM 0 HG2 GLN A 67 -9.548 -12.676 -13.609 1.00 1.00 H new ATOM 0 HG3 GLN A 67 -9.623 -11.289 -12.541 1.00 1.00 H new ATOM 0 HE21 GLN A 67 -10.859 -9.330 -13.335 1.00 1.00 H new ATOM 0 HE22 GLN A 67 -12.145 -9.570 -14.522 1.00 1.00 H new ATOM 1081 N GLY A 68 -5.168 -11.253 -13.799 1.00 1.00 N ATOM 1082 CA GLY A 68 -3.797 -11.084 -14.359 1.00 1.00 C ATOM 1083 C GLY A 68 -2.851 -10.600 -13.259 1.00 1.00 C ATOM 1084 O GLY A 68 -1.654 -10.508 -13.453 1.00 1.00 O ATOM 0 H GLY A 68 -5.386 -12.190 -13.459 1.00 1.00 H new ATOM 0 HA2 GLY A 68 -3.441 -12.029 -14.769 1.00 1.00 H new ATOM 0 HA3 GLY A 68 -3.814 -10.367 -15.180 1.00 1.00 H new ATOM 1088 N GLY A 69 -3.375 -10.290 -12.106 1.00 1.00 N ATOM 1089 CA GLY A 69 -2.505 -9.814 -10.994 1.00 1.00 C ATOM 1090 C GLY A 69 -2.603 -8.291 -10.880 1.00 1.00 C ATOM 1091 O GLY A 69 -1.877 -7.668 -10.132 1.00 1.00 O ATOM 0 H GLY A 69 -4.369 -10.346 -11.885 1.00 1.00 H new ATOM 0 HA2 GLY A 69 -2.809 -10.279 -10.056 1.00 1.00 H new ATOM 0 HA3 GLY A 69 -1.472 -10.109 -11.176 1.00 1.00 H new ATOM 1095 N PHE A 70 -3.497 -7.687 -11.614 1.00 1.00 N ATOM 1096 CA PHE A 70 -3.639 -6.204 -11.544 1.00 1.00 C ATOM 1097 C PHE A 70 -4.857 -5.831 -10.693 1.00 1.00 C ATOM 1098 O PHE A 70 -5.902 -5.486 -11.207 1.00 1.00 O ATOM 1099 CB PHE A 70 -3.838 -5.755 -12.992 1.00 1.00 C ATOM 1100 CG PHE A 70 -5.311 -5.570 -13.266 1.00 1.00 C ATOM 1101 CD1 PHE A 70 -5.953 -4.387 -12.880 1.00 1.00 C ATOM 1102 CD2 PHE A 70 -6.037 -6.582 -13.907 1.00 1.00 C ATOM 1103 CE1 PHE A 70 -7.318 -4.215 -13.135 1.00 1.00 C ATOM 1104 CE2 PHE A 70 -7.403 -6.410 -14.162 1.00 1.00 C ATOM 1105 CZ PHE A 70 -8.043 -5.227 -13.776 1.00 1.00 C ATOM 0 H PHE A 70 -4.135 -8.155 -12.258 1.00 1.00 H new ATOM 0 HA PHE A 70 -2.773 -5.727 -11.086 1.00 1.00 H new ATOM 0 HB2 PHE A 70 -3.304 -4.822 -13.171 1.00 1.00 H new ATOM 0 HB3 PHE A 70 -3.421 -6.496 -13.674 1.00 1.00 H new ATOM 0 HD1 PHE A 70 -5.394 -3.607 -12.385 1.00 1.00 H new ATOM 0 HD2 PHE A 70 -5.543 -7.495 -14.205 1.00 1.00 H new ATOM 0 HE1 PHE A 70 -7.812 -3.302 -12.838 1.00 1.00 H new ATOM 0 HE2 PHE A 70 -7.963 -7.190 -14.657 1.00 1.00 H new ATOM 0 HZ PHE A 70 -9.097 -5.094 -13.973 1.00 1.00 H new ATOM 1115 N GLY A 71 -4.729 -5.897 -9.396 1.00 1.00 N ATOM 1116 CA GLY A 71 -5.880 -5.546 -8.516 1.00 1.00 C ATOM 1117 C GLY A 71 -6.702 -6.802 -8.227 1.00 1.00 C ATOM 1118 O GLY A 71 -7.875 -6.730 -7.906 1.00 1.00 O ATOM 0 H GLY A 71 -3.879 -6.178 -8.908 1.00 1.00 H new ATOM 0 HA2 GLY A 71 -5.519 -5.112 -7.583 1.00 1.00 H new ATOM 0 HA3 GLY A 71 -6.504 -4.793 -8.998 1.00 1.00 H new ATOM 1122 N LYS A 72 -6.099 -7.955 -8.328 1.00 1.00 N ATOM 1123 CA LYS A 72 -6.856 -9.210 -8.061 1.00 1.00 C ATOM 1124 C LYS A 72 -7.118 -9.336 -6.564 1.00 1.00 C ATOM 1125 O LYS A 72 -7.889 -10.165 -6.123 1.00 1.00 O ATOM 1126 CB LYS A 72 -5.944 -10.338 -8.542 1.00 1.00 C ATOM 1127 CG LYS A 72 -6.164 -11.578 -7.673 1.00 1.00 C ATOM 1128 CD LYS A 72 -5.690 -11.293 -6.245 1.00 1.00 C ATOM 1129 CE LYS A 72 -4.668 -12.353 -5.826 1.00 1.00 C ATOM 1130 NZ LYS A 72 -4.385 -12.067 -4.393 1.00 1.00 N ATOM 0 H LYS A 72 -5.119 -8.082 -8.583 1.00 1.00 H new ATOM 0 HA LYS A 72 -7.822 -9.232 -8.566 1.00 1.00 H new ATOM 0 HB2 LYS A 72 -6.155 -10.570 -9.586 1.00 1.00 H new ATOM 0 HB3 LYS A 72 -4.901 -10.024 -8.490 1.00 1.00 H new ATOM 0 HG2 LYS A 72 -7.220 -11.850 -7.669 1.00 1.00 H new ATOM 0 HG3 LYS A 72 -5.618 -12.426 -8.086 1.00 1.00 H new ATOM 0 HD2 LYS A 72 -5.244 -10.300 -6.190 1.00 1.00 H new ATOM 0 HD3 LYS A 72 -6.538 -11.300 -5.561 1.00 1.00 H new ATOM 0 HE2 LYS A 72 -5.066 -13.359 -5.957 1.00 1.00 H new ATOM 0 HE3 LYS A 72 -3.762 -12.288 -6.428 1.00 1.00 H new ATOM 0 HZ1 LYS A 72 -3.744 -12.793 -4.014 1.00 1.00 H new ATOM 0 HZ2 LYS A 72 -3.938 -11.132 -4.307 1.00 1.00 H new ATOM 0 HZ3 LYS A 72 -5.275 -12.076 -3.855 1.00 1.00 H new ATOM 1143 N TYR A 73 -6.503 -8.496 -5.783 1.00 1.00 N ATOM 1144 CA TYR A 73 -6.738 -8.542 -4.317 1.00 1.00 C ATOM 1145 C TYR A 73 -8.019 -7.769 -4.001 1.00 1.00 C ATOM 1146 O TYR A 73 -8.686 -8.024 -3.017 1.00 1.00 O ATOM 1147 CB TYR A 73 -5.522 -7.855 -3.693 1.00 1.00 C ATOM 1148 CG TYR A 73 -4.590 -8.898 -3.124 1.00 1.00 C ATOM 1149 CD1 TYR A 73 -4.956 -10.250 -3.144 1.00 1.00 C ATOM 1150 CD2 TYR A 73 -3.360 -8.514 -2.577 1.00 1.00 C ATOM 1151 CE1 TYR A 73 -4.091 -11.216 -2.617 1.00 1.00 C ATOM 1152 CE2 TYR A 73 -2.496 -9.480 -2.050 1.00 1.00 C ATOM 1153 CZ TYR A 73 -2.862 -10.832 -2.069 1.00 1.00 C ATOM 1154 OH TYR A 73 -2.010 -11.785 -1.549 1.00 1.00 O ATOM 0 H TYR A 73 -5.848 -7.780 -6.097 1.00 1.00 H new ATOM 0 HA TYR A 73 -6.857 -9.556 -3.934 1.00 1.00 H new ATOM 0 HB2 TYR A 73 -5.003 -7.259 -4.444 1.00 1.00 H new ATOM 0 HB3 TYR A 73 -5.841 -7.170 -2.907 1.00 1.00 H new ATOM 0 HD1 TYR A 73 -5.905 -10.547 -3.566 1.00 1.00 H new ATOM 0 HD2 TYR A 73 -3.078 -7.472 -2.562 1.00 1.00 H new ATOM 0 HE1 TYR A 73 -4.372 -12.259 -2.633 1.00 1.00 H new ATOM 0 HE2 TYR A 73 -1.547 -9.183 -1.629 1.00 1.00 H new ATOM 0 HH TYR A 73 -1.200 -11.350 -1.210 1.00 1.00 H new ATOM 1164 N GLN A 74 -8.370 -6.828 -4.839 1.00 1.00 N ATOM 1165 CA GLN A 74 -9.612 -6.039 -4.597 1.00 1.00 C ATOM 1166 C GLN A 74 -10.786 -6.659 -5.360 1.00 1.00 C ATOM 1167 O GLN A 74 -11.869 -6.821 -4.833 1.00 1.00 O ATOM 1168 CB GLN A 74 -9.304 -4.641 -5.132 1.00 1.00 C ATOM 1169 CG GLN A 74 -8.625 -4.754 -6.498 1.00 1.00 C ATOM 1170 CD GLN A 74 -9.594 -4.297 -7.590 1.00 1.00 C ATOM 1171 OE1 GLN A 74 -9.237 -3.509 -8.443 1.00 1.00 O ATOM 1172 NE2 GLN A 74 -10.814 -4.761 -7.600 1.00 1.00 N ATOM 0 H GLN A 74 -7.850 -6.573 -5.679 1.00 1.00 H new ATOM 0 HA GLN A 74 -9.891 -6.019 -3.544 1.00 1.00 H new ATOM 0 HB2 GLN A 74 -10.224 -4.063 -5.218 1.00 1.00 H new ATOM 0 HB3 GLN A 74 -8.657 -4.108 -4.435 1.00 1.00 H new ATOM 0 HG2 GLN A 74 -7.723 -4.143 -6.519 1.00 1.00 H new ATOM 0 HG3 GLN A 74 -8.317 -5.784 -6.678 1.00 1.00 H new ATOM 0 HE21 GLN A 74 -11.114 -5.423 -6.884 1.00 1.00 H new ATOM 0 HE22 GLN A 74 -11.467 -4.462 -8.324 1.00 1.00 H new ATOM 1181 N GLY A 75 -10.583 -7.001 -6.604 1.00 1.00 N ATOM 1182 CA GLY A 75 -11.689 -7.603 -7.395 1.00 1.00 C ATOM 1183 C GLY A 75 -12.709 -6.516 -7.726 1.00 1.00 C ATOM 1184 O GLY A 75 -12.602 -5.834 -8.725 1.00 1.00 O ATOM 0 H GLY A 75 -9.701 -6.889 -7.104 1.00 1.00 H new ATOM 0 HA2 GLY A 75 -11.299 -8.046 -8.312 1.00 1.00 H new ATOM 0 HA3 GLY A 75 -12.163 -8.405 -6.830 1.00 1.00 H new ATOM 1188 N THR A 76 -13.693 -6.344 -6.888 1.00 1.00 N ATOM 1189 CA THR A 76 -14.718 -5.294 -7.147 1.00 1.00 C ATOM 1190 C THR A 76 -14.442 -4.071 -6.270 1.00 1.00 C ATOM 1191 O THR A 76 -15.163 -3.790 -5.333 1.00 1.00 O ATOM 1192 CB THR A 76 -16.052 -5.939 -6.767 1.00 1.00 C ATOM 1193 OG1 THR A 76 -15.897 -6.664 -5.554 1.00 1.00 O ATOM 1194 CG2 THR A 76 -16.495 -6.890 -7.880 1.00 1.00 C ATOM 0 H THR A 76 -13.832 -6.885 -6.035 1.00 1.00 H new ATOM 0 HA THR A 76 -14.714 -4.954 -8.183 1.00 1.00 H new ATOM 0 HB THR A 76 -16.807 -5.164 -6.633 1.00 1.00 H new ATOM 0 HG1 THR A 76 -15.706 -6.041 -4.822 1.00 1.00 H new ATOM 0 HG21 THR A 76 -17.446 -7.350 -7.609 1.00 1.00 H new ATOM 0 HG22 THR A 76 -16.613 -6.333 -8.809 1.00 1.00 H new ATOM 0 HG23 THR A 76 -15.742 -7.667 -8.016 1.00 1.00 H new ATOM 1202 N TRP A 77 -13.400 -3.343 -6.564 1.00 1.00 N ATOM 1203 CA TRP A 77 -13.074 -2.141 -5.745 1.00 1.00 C ATOM 1204 C TRP A 77 -14.018 -0.988 -6.090 1.00 1.00 C ATOM 1205 O TRP A 77 -14.659 -0.981 -7.121 1.00 1.00 O ATOM 1206 CB TRP A 77 -11.636 -1.779 -6.117 1.00 1.00 C ATOM 1207 CG TRP A 77 -11.431 -1.985 -7.582 1.00 1.00 C ATOM 1208 CD1 TRP A 77 -12.389 -2.377 -8.453 1.00 1.00 C ATOM 1209 CD2 TRP A 77 -10.212 -1.816 -8.363 1.00 1.00 C ATOM 1210 NE1 TRP A 77 -11.836 -2.460 -9.719 1.00 1.00 N ATOM 1211 CE2 TRP A 77 -10.496 -2.124 -9.714 1.00 1.00 C ATOM 1212 CE3 TRP A 77 -8.901 -1.429 -8.033 1.00 1.00 C ATOM 1213 CZ2 TRP A 77 -9.515 -2.051 -10.703 1.00 1.00 C ATOM 1214 CZ3 TRP A 77 -7.910 -1.355 -9.027 1.00 1.00 C ATOM 1215 CH2 TRP A 77 -8.217 -1.665 -10.359 1.00 1.00 C ATOM 0 H TRP A 77 -12.760 -3.528 -7.336 1.00 1.00 H new ATOM 0 HA TRP A 77 -13.184 -2.334 -4.678 1.00 1.00 H new ATOM 0 HB2 TRP A 77 -11.432 -0.741 -5.853 1.00 1.00 H new ATOM 0 HB3 TRP A 77 -10.937 -2.395 -5.551 1.00 1.00 H new ATOM 0 HD1 TRP A 77 -13.417 -2.590 -8.202 1.00 1.00 H new ATOM 0 HE1 TRP A 77 -12.354 -2.735 -10.553 1.00 1.00 H new ATOM 0 HE3 TRP A 77 -8.654 -1.187 -7.010 1.00 1.00 H new ATOM 0 HZ2 TRP A 77 -9.757 -2.291 -11.728 1.00 1.00 H new ATOM 0 HZ3 TRP A 77 -6.906 -1.057 -8.763 1.00 1.00 H new ATOM 0 HH2 TRP A 77 -7.451 -1.606 -11.118 1.00 1.00 H new ATOM 1226 N VAL A 78 -14.096 -0.010 -5.232 1.00 1.00 N ATOM 1227 CA VAL A 78 -14.985 1.154 -5.500 1.00 1.00 C ATOM 1228 C VAL A 78 -14.293 2.442 -5.045 1.00 1.00 C ATOM 1229 O VAL A 78 -13.372 2.402 -4.253 1.00 1.00 O ATOM 1230 CB VAL A 78 -16.241 0.895 -4.668 1.00 1.00 C ATOM 1231 CG1 VAL A 78 -17.426 0.631 -5.600 1.00 1.00 C ATOM 1232 CG2 VAL A 78 -16.016 -0.325 -3.773 1.00 1.00 C ATOM 0 H VAL A 78 -13.580 0.033 -4.353 1.00 1.00 H new ATOM 0 HA VAL A 78 -15.221 1.268 -6.558 1.00 1.00 H new ATOM 0 HB VAL A 78 -16.453 1.767 -4.049 1.00 1.00 H new ATOM 0 HG11 VAL A 78 -18.321 0.446 -5.007 1.00 1.00 H new ATOM 0 HG12 VAL A 78 -17.587 1.499 -6.239 1.00 1.00 H new ATOM 0 HG13 VAL A 78 -17.215 -0.241 -6.219 1.00 1.00 H new ATOM 0 HG21 VAL A 78 -16.911 -0.511 -3.179 1.00 1.00 H new ATOM 0 HG22 VAL A 78 -15.804 -1.197 -4.392 1.00 1.00 H new ATOM 0 HG23 VAL A 78 -15.172 -0.138 -3.109 1.00 1.00 H new ATOM 1242 N PRO A 79 -14.759 3.544 -5.562 1.00 1.00 N ATOM 1243 CA PRO A 79 -14.171 4.853 -5.197 1.00 1.00 C ATOM 1244 C PRO A 79 -14.053 4.970 -3.675 1.00 1.00 C ATOM 1245 O PRO A 79 -15.040 4.993 -2.968 1.00 1.00 O ATOM 1246 CB PRO A 79 -15.169 5.867 -5.750 1.00 1.00 C ATOM 1247 CG PRO A 79 -15.908 5.146 -6.835 1.00 1.00 C ATOM 1248 CD PRO A 79 -15.862 3.673 -6.516 1.00 1.00 C ATOM 0 HA PRO A 79 -13.167 5.001 -5.594 1.00 1.00 H new ATOM 0 HB2 PRO A 79 -15.851 6.212 -4.972 1.00 1.00 H new ATOM 0 HB3 PRO A 79 -14.659 6.748 -6.140 1.00 1.00 H new ATOM 0 HG2 PRO A 79 -16.940 5.494 -6.892 1.00 1.00 H new ATOM 0 HG3 PRO A 79 -15.451 5.342 -7.805 1.00 1.00 H new ATOM 0 HD2 PRO A 79 -16.803 3.330 -6.085 1.00 1.00 H new ATOM 0 HD3 PRO A 79 -15.685 3.077 -7.412 1.00 1.00 H new ATOM 1256 N LEU A 80 -12.853 5.040 -3.164 1.00 1.00 N ATOM 1257 CA LEU A 80 -12.679 5.150 -1.687 1.00 1.00 C ATOM 1258 C LEU A 80 -13.578 6.252 -1.125 1.00 1.00 C ATOM 1259 O LEU A 80 -14.104 6.140 -0.035 1.00 1.00 O ATOM 1260 CB LEU A 80 -11.205 5.506 -1.488 1.00 1.00 C ATOM 1261 CG LEU A 80 -11.078 7.001 -1.191 1.00 1.00 C ATOM 1262 CD1 LEU A 80 -9.662 7.306 -0.699 1.00 1.00 C ATOM 1263 CD2 LEU A 80 -11.354 7.799 -2.469 1.00 1.00 C ATOM 0 H LEU A 80 -11.988 5.026 -3.704 1.00 1.00 H new ATOM 0 HA LEU A 80 -12.950 4.229 -1.171 1.00 1.00 H new ATOM 0 HB2 LEU A 80 -10.787 4.924 -0.667 1.00 1.00 H new ATOM 0 HB3 LEU A 80 -10.634 5.252 -2.381 1.00 1.00 H new ATOM 0 HG LEU A 80 -11.798 7.281 -0.422 1.00 1.00 H new ATOM 0 HD11 LEU A 80 -9.572 8.371 -0.487 1.00 1.00 H new ATOM 0 HD12 LEU A 80 -9.462 6.738 0.209 1.00 1.00 H new ATOM 0 HD13 LEU A 80 -8.942 7.027 -1.468 1.00 1.00 H new ATOM 0 HD21 LEU A 80 -11.264 8.865 -2.259 1.00 1.00 H new ATOM 0 HD22 LEU A 80 -10.633 7.518 -3.236 1.00 1.00 H new ATOM 0 HD23 LEU A 80 -12.362 7.583 -2.822 1.00 1.00 H new ATOM 1275 N ASN A 81 -13.767 7.314 -1.862 1.00 1.00 N ATOM 1276 CA ASN A 81 -14.643 8.413 -1.365 1.00 1.00 C ATOM 1277 C ASN A 81 -16.059 7.880 -1.141 1.00 1.00 C ATOM 1278 O ASN A 81 -16.783 8.345 -0.283 1.00 1.00 O ATOM 1279 CB ASN A 81 -14.633 9.464 -2.476 1.00 1.00 C ATOM 1280 CG ASN A 81 -14.917 10.844 -1.876 1.00 1.00 C ATOM 1281 OD1 ASN A 81 -15.111 11.803 -2.596 1.00 1.00 O ATOM 1282 ND2 ASN A 81 -14.951 10.983 -0.579 1.00 1.00 N ATOM 0 H ASN A 81 -13.355 7.467 -2.782 1.00 1.00 H new ATOM 0 HA ASN A 81 -14.299 8.827 -0.417 1.00 1.00 H new ATOM 0 HB2 ASN A 81 -13.667 9.467 -2.980 1.00 1.00 H new ATOM 0 HB3 ASN A 81 -15.384 9.221 -3.228 1.00 1.00 H new ATOM 0 HD21 ASN A 81 -15.141 11.897 -0.169 1.00 1.00 H new ATOM 0 HD22 ASN A 81 -14.788 10.177 0.025 1.00 1.00 H new ATOM 1289 N ILE A 82 -16.449 6.897 -1.903 1.00 1.00 N ATOM 1290 CA ILE A 82 -17.811 6.316 -1.738 1.00 1.00 C ATOM 1291 C ILE A 82 -17.706 4.934 -1.089 1.00 1.00 C ATOM 1292 O ILE A 82 -18.573 4.514 -0.347 1.00 1.00 O ATOM 1293 CB ILE A 82 -18.369 6.203 -3.155 1.00 1.00 C ATOM 1294 CG1 ILE A 82 -19.854 5.840 -3.088 1.00 1.00 C ATOM 1295 CG2 ILE A 82 -17.612 5.114 -3.917 1.00 1.00 C ATOM 1296 CD1 ILE A 82 -20.445 5.855 -4.498 1.00 1.00 C ATOM 0 H ILE A 82 -15.882 6.469 -2.635 1.00 1.00 H new ATOM 0 HA ILE A 82 -18.452 6.925 -1.100 1.00 1.00 H new ATOM 0 HB ILE A 82 -18.249 7.156 -3.671 1.00 1.00 H new ATOM 0 HG12 ILE A 82 -19.979 4.854 -2.640 1.00 1.00 H new ATOM 0 HG13 ILE A 82 -20.384 6.549 -2.452 1.00 1.00 H new ATOM 0 HG21 ILE A 82 -18.011 5.034 -4.928 1.00 1.00 H new ATOM 0 HG22 ILE A 82 -16.554 5.371 -3.963 1.00 1.00 H new ATOM 0 HG23 ILE A 82 -17.732 4.160 -3.403 1.00 1.00 H new ATOM 0 HD11 ILE A 82 -21.503 5.597 -4.452 1.00 1.00 H new ATOM 0 HD12 ILE A 82 -20.333 6.850 -4.929 1.00 1.00 H new ATOM 0 HD13 ILE A 82 -19.921 5.129 -5.120 1.00 1.00 H new ATOM 1308 N ALA A 83 -16.641 4.227 -1.357 1.00 1.00 N ATOM 1309 CA ALA A 83 -16.473 2.876 -0.752 1.00 1.00 C ATOM 1310 C ALA A 83 -16.395 2.996 0.770 1.00 1.00 C ATOM 1311 O ALA A 83 -17.190 2.423 1.487 1.00 1.00 O ATOM 1312 CB ALA A 83 -15.156 2.347 -1.320 1.00 1.00 C ATOM 0 H ALA A 83 -15.881 4.527 -1.968 1.00 1.00 H new ATOM 0 HA ALA A 83 -17.306 2.210 -0.979 1.00 1.00 H new ATOM 0 HB1 ALA A 83 -14.961 1.352 -0.920 1.00 1.00 H new ATOM 0 HB2 ALA A 83 -15.223 2.295 -2.407 1.00 1.00 H new ATOM 0 HB3 ALA A 83 -14.343 3.017 -1.039 1.00 1.00 H new ATOM 1318 N LYS A 84 -15.445 3.739 1.271 1.00 1.00 N ATOM 1319 CA LYS A 84 -15.325 3.891 2.748 1.00 1.00 C ATOM 1320 C LYS A 84 -16.579 4.567 3.307 1.00 1.00 C ATOM 1321 O LYS A 84 -16.978 4.327 4.428 1.00 1.00 O ATOM 1322 CB LYS A 84 -14.098 4.778 2.959 1.00 1.00 C ATOM 1323 CG LYS A 84 -14.512 6.249 2.893 1.00 1.00 C ATOM 1324 CD LYS A 84 -13.354 7.082 2.340 1.00 1.00 C ATOM 1325 CE LYS A 84 -12.576 7.707 3.500 1.00 1.00 C ATOM 1326 NZ LYS A 84 -12.716 9.177 3.309 1.00 1.00 N ATOM 0 H LYS A 84 -14.750 4.245 0.723 1.00 1.00 H new ATOM 0 HA LYS A 84 -15.224 2.932 3.257 1.00 1.00 H new ATOM 0 HB2 LYS A 84 -13.641 4.561 3.925 1.00 1.00 H new ATOM 0 HB3 LYS A 84 -13.348 4.566 2.197 1.00 1.00 H new ATOM 0 HG2 LYS A 84 -15.391 6.362 2.258 1.00 1.00 H new ATOM 0 HG3 LYS A 84 -14.788 6.605 3.886 1.00 1.00 H new ATOM 0 HD2 LYS A 84 -12.694 6.454 1.742 1.00 1.00 H new ATOM 0 HD3 LYS A 84 -13.735 7.862 1.681 1.00 1.00 H new ATOM 0 HE2 LYS A 84 -12.982 7.393 4.462 1.00 1.00 H new ATOM 0 HE3 LYS A 84 -11.529 7.404 3.482 1.00 1.00 H new ATOM 0 HZ1 LYS A 84 -12.208 9.676 4.067 1.00 1.00 H new ATOM 0 HZ2 LYS A 84 -12.315 9.447 2.388 1.00 1.00 H new ATOM 0 HZ3 LYS A 84 -13.723 9.437 3.338 1.00 1.00 H new ATOM 1339 N GLN A 85 -17.210 5.405 2.531 1.00 1.00 N ATOM 1340 CA GLN A 85 -18.441 6.087 3.022 1.00 1.00 C ATOM 1341 C GLN A 85 -19.562 5.062 3.205 1.00 1.00 C ATOM 1342 O GLN A 85 -20.438 5.226 4.031 1.00 1.00 O ATOM 1343 CB GLN A 85 -18.801 7.094 1.932 1.00 1.00 C ATOM 1344 CG GLN A 85 -20.144 7.748 2.266 1.00 1.00 C ATOM 1345 CD GLN A 85 -20.737 8.372 1.001 1.00 1.00 C ATOM 1346 OE1 GLN A 85 -20.769 9.579 0.862 1.00 1.00 O ATOM 1347 NE2 GLN A 85 -21.210 7.595 0.065 1.00 1.00 N ATOM 0 H GLN A 85 -16.928 5.647 1.581 1.00 1.00 H new ATOM 0 HA GLN A 85 -18.292 6.575 3.985 1.00 1.00 H new ATOM 0 HB2 GLN A 85 -18.024 7.854 1.853 1.00 1.00 H new ATOM 0 HB3 GLN A 85 -18.858 6.595 0.965 1.00 1.00 H new ATOM 0 HG2 GLN A 85 -20.830 7.006 2.674 1.00 1.00 H new ATOM 0 HG3 GLN A 85 -20.008 8.512 3.032 1.00 1.00 H new ATOM 0 HE21 GLN A 85 -21.183 6.582 0.181 1.00 1.00 H new ATOM 0 HE22 GLN A 85 -21.606 8.001 -0.783 1.00 1.00 H new ATOM 1356 N LEU A 86 -19.531 4.000 2.450 1.00 1.00 N ATOM 1357 CA LEU A 86 -20.584 2.957 2.591 1.00 1.00 C ATOM 1358 C LEU A 86 -20.172 1.956 3.672 1.00 1.00 C ATOM 1359 O LEU A 86 -20.986 1.483 4.439 1.00 1.00 O ATOM 1360 CB LEU A 86 -20.662 2.278 1.228 1.00 1.00 C ATOM 1361 CG LEU A 86 -22.122 1.962 0.898 1.00 1.00 C ATOM 1362 CD1 LEU A 86 -22.460 2.501 -0.494 1.00 1.00 C ATOM 1363 CD2 LEU A 86 -22.332 0.447 0.921 1.00 1.00 C ATOM 0 H LEU A 86 -18.822 3.809 1.742 1.00 1.00 H new ATOM 0 HA LEU A 86 -21.548 3.373 2.885 1.00 1.00 H new ATOM 0 HB2 LEU A 86 -20.237 2.927 0.462 1.00 1.00 H new ATOM 0 HB3 LEU A 86 -20.072 1.361 1.232 1.00 1.00 H new ATOM 0 HG LEU A 86 -22.771 2.432 1.637 1.00 1.00 H new ATOM 0 HD11 LEU A 86 -23.500 2.276 -0.729 1.00 1.00 H new ATOM 0 HD12 LEU A 86 -22.309 3.580 -0.513 1.00 1.00 H new ATOM 0 HD13 LEU A 86 -21.811 2.031 -1.233 1.00 1.00 H new ATOM 0 HD21 LEU A 86 -23.372 0.220 0.686 1.00 1.00 H new ATOM 0 HD22 LEU A 86 -21.682 -0.022 0.182 1.00 1.00 H new ATOM 0 HD23 LEU A 86 -22.091 0.061 1.912 1.00 1.00 H new ATOM 1375 N ALA A 87 -18.908 1.637 3.740 1.00 1.00 N ATOM 1376 CA ALA A 87 -18.440 0.674 4.775 1.00 1.00 C ATOM 1377 C ALA A 87 -18.061 1.426 6.054 1.00 1.00 C ATOM 1378 O ALA A 87 -18.631 1.207 7.104 1.00 1.00 O ATOM 1379 CB ALA A 87 -17.212 0.001 4.163 1.00 1.00 C ATOM 0 H ALA A 87 -18.181 2.001 3.124 1.00 1.00 H new ATOM 0 HA ALA A 87 -19.207 -0.052 5.046 1.00 1.00 H new ATOM 0 HB1 ALA A 87 -16.807 -0.726 4.867 1.00 1.00 H new ATOM 0 HB2 ALA A 87 -17.497 -0.506 3.241 1.00 1.00 H new ATOM 0 HB3 ALA A 87 -16.456 0.755 3.944 1.00 1.00 H new ATOM 1385 N GLU A 88 -17.102 2.308 5.976 1.00 1.00 N ATOM 1386 CA GLU A 88 -16.684 3.068 7.183 1.00 1.00 C ATOM 1387 C GLU A 88 -17.869 3.279 8.120 1.00 1.00 C ATOM 1388 O GLU A 88 -17.705 3.448 9.312 1.00 1.00 O ATOM 1389 CB GLU A 88 -16.175 4.400 6.644 1.00 1.00 C ATOM 1390 CG GLU A 88 -17.223 5.488 6.888 1.00 1.00 C ATOM 1391 CD GLU A 88 -16.522 6.803 7.237 1.00 1.00 C ATOM 1392 OE1 GLU A 88 -16.174 6.977 8.394 1.00 1.00 O ATOM 1393 OE2 GLU A 88 -16.343 7.612 6.342 1.00 1.00 O ATOM 0 H GLU A 88 -16.589 2.534 5.124 1.00 1.00 H new ATOM 0 HA GLU A 88 -15.924 2.543 7.762 1.00 1.00 H new ATOM 0 HB2 GLU A 88 -15.238 4.667 7.133 1.00 1.00 H new ATOM 0 HB3 GLU A 88 -15.965 4.316 5.578 1.00 1.00 H new ATOM 0 HG2 GLU A 88 -17.841 5.618 6.000 1.00 1.00 H new ATOM 0 HG3 GLU A 88 -17.888 5.192 7.699 1.00 1.00 H new ATOM 1400 N LYS A 89 -19.065 3.248 7.603 1.00 1.00 N ATOM 1401 CA LYS A 89 -20.251 3.419 8.482 1.00 1.00 C ATOM 1402 C LYS A 89 -20.416 2.173 9.355 1.00 1.00 C ATOM 1403 O LYS A 89 -19.741 2.000 10.350 1.00 1.00 O ATOM 1404 CB LYS A 89 -21.437 3.574 7.531 1.00 1.00 C ATOM 1405 CG LYS A 89 -22.600 4.239 8.270 1.00 1.00 C ATOM 1406 CD LYS A 89 -23.920 3.857 7.598 1.00 1.00 C ATOM 1407 CE LYS A 89 -24.766 3.026 8.566 1.00 1.00 C ATOM 1408 NZ LYS A 89 -26.171 3.438 8.299 1.00 1.00 N ATOM 0 H LYS A 89 -19.271 3.112 6.613 1.00 1.00 H new ATOM 0 HA LYS A 89 -20.162 4.277 9.149 1.00 1.00 H new ATOM 0 HB2 LYS A 89 -21.149 4.175 6.668 1.00 1.00 H new ATOM 0 HB3 LYS A 89 -21.743 2.599 7.152 1.00 1.00 H new ATOM 0 HG2 LYS A 89 -22.608 3.926 9.314 1.00 1.00 H new ATOM 0 HG3 LYS A 89 -22.477 5.322 8.263 1.00 1.00 H new ATOM 0 HD2 LYS A 89 -24.463 4.755 7.303 1.00 1.00 H new ATOM 0 HD3 LYS A 89 -23.726 3.289 6.688 1.00 1.00 H new ATOM 0 HE2 LYS A 89 -24.628 1.958 8.394 1.00 1.00 H new ATOM 0 HE3 LYS A 89 -24.487 3.221 9.602 1.00 1.00 H new ATOM 0 HZ1 LYS A 89 -26.812 2.911 8.925 1.00 1.00 H new ATOM 0 HZ2 LYS A 89 -26.274 4.457 8.477 1.00 1.00 H new ATOM 0 HZ3 LYS A 89 -26.410 3.234 7.308 1.00 1.00 H new ATOM 1421 N PHE A 90 -21.305 1.300 8.972 1.00 1.00 N ATOM 1422 CA PHE A 90 -21.520 0.049 9.759 1.00 1.00 C ATOM 1423 C PHE A 90 -21.032 -1.167 8.963 1.00 1.00 C ATOM 1424 O PHE A 90 -21.189 -2.297 9.382 1.00 1.00 O ATOM 1425 CB PHE A 90 -23.032 -0.023 9.979 1.00 1.00 C ATOM 1426 CG PHE A 90 -23.493 1.206 10.725 1.00 1.00 C ATOM 1427 CD1 PHE A 90 -22.563 2.177 11.117 1.00 1.00 C ATOM 1428 CD2 PHE A 90 -24.850 1.376 11.022 1.00 1.00 C ATOM 1429 CE1 PHE A 90 -22.990 3.317 11.808 1.00 1.00 C ATOM 1430 CE2 PHE A 90 -25.278 2.516 11.712 1.00 1.00 C ATOM 1431 CZ PHE A 90 -24.348 3.487 12.106 1.00 1.00 C ATOM 0 H PHE A 90 -21.895 1.397 8.146 1.00 1.00 H new ATOM 0 HA PHE A 90 -20.971 0.052 10.701 1.00 1.00 H new ATOM 0 HB2 PHE A 90 -23.546 -0.094 9.021 1.00 1.00 H new ATOM 0 HB3 PHE A 90 -23.285 -0.920 10.544 1.00 1.00 H new ATOM 0 HD1 PHE A 90 -21.516 2.046 10.886 1.00 1.00 H new ATOM 0 HD2 PHE A 90 -25.567 0.627 10.719 1.00 1.00 H new ATOM 0 HE1 PHE A 90 -22.273 4.065 12.111 1.00 1.00 H new ATOM 0 HE2 PHE A 90 -26.325 2.647 11.941 1.00 1.00 H new ATOM 0 HZ PHE A 90 -24.678 4.366 12.639 1.00 1.00 H new ATOM 1441 N SER A 91 -20.460 -0.945 7.811 1.00 1.00 N ATOM 1442 CA SER A 91 -19.983 -2.085 6.979 1.00 1.00 C ATOM 1443 C SER A 91 -18.607 -2.575 7.446 1.00 1.00 C ATOM 1444 O SER A 91 -18.485 -3.620 8.053 1.00 1.00 O ATOM 1445 CB SER A 91 -19.894 -1.524 5.561 1.00 1.00 C ATOM 1446 OG SER A 91 -20.623 -0.305 5.494 1.00 1.00 O ATOM 0 H SER A 91 -20.302 -0.021 7.410 1.00 1.00 H new ATOM 0 HA SER A 91 -20.653 -2.942 7.048 1.00 1.00 H new ATOM 0 HB2 SER A 91 -18.852 -1.354 5.289 1.00 1.00 H new ATOM 0 HB3 SER A 91 -20.297 -2.242 4.847 1.00 1.00 H new ATOM 0 HG SER A 91 -20.879 -0.127 4.565 1.00 1.00 H new ATOM 1452 N VAL A 92 -17.571 -1.832 7.164 1.00 1.00 N ATOM 1453 CA VAL A 92 -16.206 -2.262 7.589 1.00 1.00 C ATOM 1454 C VAL A 92 -15.608 -1.238 8.556 1.00 1.00 C ATOM 1455 O VAL A 92 -14.520 -1.414 9.068 1.00 1.00 O ATOM 1456 CB VAL A 92 -15.389 -2.322 6.299 1.00 1.00 C ATOM 1457 CG1 VAL A 92 -15.322 -3.768 5.804 1.00 1.00 C ATOM 1458 CG2 VAL A 92 -16.057 -1.451 5.232 1.00 1.00 C ATOM 0 H VAL A 92 -17.610 -0.947 6.658 1.00 1.00 H new ATOM 0 HA VAL A 92 -16.218 -3.221 8.108 1.00 1.00 H new ATOM 0 HB VAL A 92 -14.381 -1.956 6.491 1.00 1.00 H new ATOM 0 HG11 VAL A 92 -14.739 -3.811 4.884 1.00 1.00 H new ATOM 0 HG12 VAL A 92 -14.848 -4.391 6.563 1.00 1.00 H new ATOM 0 HG13 VAL A 92 -16.331 -4.134 5.612 1.00 1.00 H new ATOM 0 HG21 VAL A 92 -15.475 -1.493 4.311 1.00 1.00 H new ATOM 0 HG22 VAL A 92 -17.065 -1.819 5.041 1.00 1.00 H new ATOM 0 HG23 VAL A 92 -16.107 -0.420 5.583 1.00 1.00 H new ATOM 1468 N TYR A 93 -16.312 -0.172 8.808 1.00 1.00 N ATOM 1469 CA TYR A 93 -15.791 0.867 9.741 1.00 1.00 C ATOM 1470 C TYR A 93 -14.871 0.233 10.788 1.00 1.00 C ATOM 1471 O TYR A 93 -13.969 0.866 11.299 1.00 1.00 O ATOM 1472 CB TYR A 93 -17.036 1.455 10.403 1.00 1.00 C ATOM 1473 CG TYR A 93 -16.624 2.392 11.513 1.00 1.00 C ATOM 1474 CD1 TYR A 93 -15.348 2.966 11.507 1.00 1.00 C ATOM 1475 CD2 TYR A 93 -17.519 2.686 12.549 1.00 1.00 C ATOM 1476 CE1 TYR A 93 -14.966 3.835 12.537 1.00 1.00 C ATOM 1477 CE2 TYR A 93 -17.137 3.555 13.579 1.00 1.00 C ATOM 1478 CZ TYR A 93 -15.860 4.129 13.572 1.00 1.00 C ATOM 1479 OH TYR A 93 -15.485 4.986 14.586 1.00 1.00 O ATOM 0 H TYR A 93 -17.229 0.027 8.408 1.00 1.00 H new ATOM 0 HA TYR A 93 -15.202 1.627 9.227 1.00 1.00 H new ATOM 0 HB2 TYR A 93 -17.634 1.990 9.665 1.00 1.00 H new ATOM 0 HB3 TYR A 93 -17.661 0.655 10.801 1.00 1.00 H new ATOM 0 HD1 TYR A 93 -14.658 2.739 10.708 1.00 1.00 H new ATOM 0 HD2 TYR A 93 -18.504 2.243 12.554 1.00 1.00 H new ATOM 0 HE1 TYR A 93 -13.981 4.278 12.532 1.00 1.00 H new ATOM 0 HE2 TYR A 93 -17.827 3.782 14.378 1.00 1.00 H new ATOM 0 HH TYR A 93 -16.224 5.083 15.223 1.00 1.00 H new ATOM 1489 N ASP A 94 -15.086 -1.013 11.109 1.00 1.00 N ATOM 1490 CA ASP A 94 -14.215 -1.680 12.118 1.00 1.00 C ATOM 1491 C ASP A 94 -12.994 -2.297 11.430 1.00 1.00 C ATOM 1492 O ASP A 94 -11.864 -1.943 11.710 1.00 1.00 O ATOM 1493 CB ASP A 94 -15.089 -2.771 12.738 1.00 1.00 C ATOM 1494 CG ASP A 94 -15.068 -4.013 11.843 1.00 1.00 C ATOM 1495 OD1 ASP A 94 -14.126 -4.780 11.951 1.00 1.00 O ATOM 1496 OD2 ASP A 94 -15.995 -4.175 11.067 1.00 1.00 O ATOM 0 H ASP A 94 -15.825 -1.597 10.718 1.00 1.00 H new ATOM 0 HA ASP A 94 -13.842 -0.983 12.869 1.00 1.00 H new ATOM 0 HB2 ASP A 94 -14.724 -3.021 13.734 1.00 1.00 H new ATOM 0 HB3 ASP A 94 -16.111 -2.411 12.854 1.00 1.00 H new ATOM 1501 N GLN A 95 -13.210 -3.209 10.522 1.00 1.00 N ATOM 1502 CA GLN A 95 -12.062 -3.838 9.813 1.00 1.00 C ATOM 1503 C GLN A 95 -11.236 -2.764 9.102 1.00 1.00 C ATOM 1504 O GLN A 95 -10.061 -2.933 8.849 1.00 1.00 O ATOM 1505 CB GLN A 95 -12.693 -4.790 8.797 1.00 1.00 C ATOM 1506 CG GLN A 95 -12.238 -6.221 9.087 1.00 1.00 C ATOM 1507 CD GLN A 95 -13.050 -6.789 10.254 1.00 1.00 C ATOM 1508 OE1 GLN A 95 -12.583 -6.821 11.376 1.00 1.00 O ATOM 1509 NE2 GLN A 95 -14.254 -7.239 10.037 1.00 1.00 N ATOM 0 H GLN A 95 -14.131 -3.545 10.241 1.00 1.00 H new ATOM 0 HA GLN A 95 -11.390 -4.361 10.494 1.00 1.00 H new ATOM 0 HB2 GLN A 95 -13.780 -4.725 8.848 1.00 1.00 H new ATOM 0 HB3 GLN A 95 -12.404 -4.503 7.786 1.00 1.00 H new ATOM 0 HG2 GLN A 95 -12.371 -6.842 8.201 1.00 1.00 H new ATOM 0 HG3 GLN A 95 -11.175 -6.234 9.329 1.00 1.00 H new ATOM 0 HE21 GLN A 95 -14.646 -7.212 9.096 1.00 1.00 H new ATOM 0 HE22 GLN A 95 -14.804 -7.618 10.808 1.00 1.00 H new ATOM 1518 N LEU A 96 -11.848 -1.657 8.781 1.00 1.00 N ATOM 1519 CA LEU A 96 -11.102 -0.568 8.088 1.00 1.00 C ATOM 1520 C LEU A 96 -10.394 0.323 9.111 1.00 1.00 C ATOM 1521 O LEU A 96 -10.192 1.500 8.888 1.00 1.00 O ATOM 1522 CB LEU A 96 -12.170 0.226 7.335 1.00 1.00 C ATOM 1523 CG LEU A 96 -13.339 -0.694 6.982 1.00 1.00 C ATOM 1524 CD1 LEU A 96 -14.659 0.040 7.221 1.00 1.00 C ATOM 1525 CD2 LEU A 96 -13.243 -1.097 5.509 1.00 1.00 C ATOM 0 H LEU A 96 -12.831 -1.459 8.968 1.00 1.00 H new ATOM 0 HA LEU A 96 -10.334 -0.955 7.419 1.00 1.00 H new ATOM 0 HB2 LEU A 96 -12.520 1.057 7.948 1.00 1.00 H new ATOM 0 HB3 LEU A 96 -11.746 0.656 6.428 1.00 1.00 H new ATOM 0 HG LEU A 96 -13.300 -1.585 7.609 1.00 1.00 H new ATOM 0 HD11 LEU A 96 -15.491 -0.617 6.969 1.00 1.00 H new ATOM 0 HD12 LEU A 96 -14.730 0.329 8.269 1.00 1.00 H new ATOM 0 HD13 LEU A 96 -14.698 0.932 6.595 1.00 1.00 H new ATOM 0 HD21 LEU A 96 -14.076 -1.753 5.256 1.00 1.00 H new ATOM 0 HD22 LEU A 96 -13.281 -0.205 4.884 1.00 1.00 H new ATOM 0 HD23 LEU A 96 -12.303 -1.621 5.336 1.00 1.00 H new ATOM 1537 N LYS A 97 -10.011 -0.228 10.232 1.00 1.00 N ATOM 1538 CA LYS A 97 -9.315 0.596 11.262 1.00 1.00 C ATOM 1539 C LYS A 97 -8.120 1.320 10.634 1.00 1.00 C ATOM 1540 O LYS A 97 -8.016 2.528 10.713 1.00 1.00 O ATOM 1541 CB LYS A 97 -8.841 -0.405 12.318 1.00 1.00 C ATOM 1542 CG LYS A 97 -7.429 -0.035 12.776 1.00 1.00 C ATOM 1543 CD LYS A 97 -7.236 -0.458 14.233 1.00 1.00 C ATOM 1544 CE LYS A 97 -7.470 0.745 15.149 1.00 1.00 C ATOM 1545 NZ LYS A 97 -6.250 1.584 14.998 1.00 1.00 N ATOM 0 H LYS A 97 -10.149 -1.208 10.478 1.00 1.00 H new ATOM 0 HA LYS A 97 -9.964 1.360 11.689 1.00 1.00 H new ATOM 0 HB2 LYS A 97 -9.523 -0.402 13.168 1.00 1.00 H new ATOM 0 HB3 LYS A 97 -8.848 -1.414 11.907 1.00 1.00 H new ATOM 0 HG2 LYS A 97 -6.690 -0.526 12.143 1.00 1.00 H new ATOM 0 HG3 LYS A 97 -7.272 1.039 12.675 1.00 1.00 H new ATOM 0 HD2 LYS A 97 -7.929 -1.260 14.485 1.00 1.00 H new ATOM 0 HD3 LYS A 97 -6.229 -0.849 14.379 1.00 1.00 H new ATOM 0 HE2 LYS A 97 -8.366 1.294 14.859 1.00 1.00 H new ATOM 0 HE3 LYS A 97 -7.609 0.432 16.184 1.00 1.00 H new ATOM 0 HZ1 LYS A 97 -6.500 2.586 15.124 1.00 1.00 H new ATOM 0 HZ2 LYS A 97 -5.549 1.309 15.715 1.00 1.00 H new ATOM 0 HZ3 LYS A 97 -5.848 1.444 14.049 1.00 1.00 H new ATOM 1558 N PRO A 98 -7.259 0.552 10.024 1.00 1.00 N ATOM 1559 CA PRO A 98 -6.060 1.129 9.368 1.00 1.00 C ATOM 1560 C PRO A 98 -6.481 1.988 8.172 1.00 1.00 C ATOM 1561 O PRO A 98 -6.218 3.176 8.122 1.00 1.00 O ATOM 1562 CB PRO A 98 -5.264 -0.092 8.908 1.00 1.00 C ATOM 1563 CG PRO A 98 -6.240 -1.228 8.895 1.00 1.00 C ATOM 1564 CD PRO A 98 -7.321 -0.905 9.892 1.00 1.00 C ATOM 0 HA PRO A 98 -5.480 1.775 10.027 1.00 1.00 H new ATOM 0 HB2 PRO A 98 -4.837 0.069 7.918 1.00 1.00 H new ATOM 0 HB3 PRO A 98 -4.434 -0.296 9.584 1.00 1.00 H new ATOM 0 HG2 PRO A 98 -6.663 -1.359 7.899 1.00 1.00 H new ATOM 0 HG3 PRO A 98 -5.744 -2.163 9.156 1.00 1.00 H new ATOM 0 HD2 PRO A 98 -8.299 -1.232 9.540 1.00 1.00 H new ATOM 0 HD3 PRO A 98 -7.144 -1.400 10.847 1.00 1.00 H new ATOM 1572 N LEU A 99 -7.146 1.398 7.213 1.00 1.00 N ATOM 1573 CA LEU A 99 -7.594 2.187 6.031 1.00 1.00 C ATOM 1574 C LEU A 99 -8.110 3.545 6.501 1.00 1.00 C ATOM 1575 O LEU A 99 -7.819 4.571 5.920 1.00 1.00 O ATOM 1576 CB LEU A 99 -8.723 1.365 5.407 1.00 1.00 C ATOM 1577 CG LEU A 99 -8.310 -0.106 5.343 1.00 1.00 C ATOM 1578 CD1 LEU A 99 -9.559 -0.985 5.260 1.00 1.00 C ATOM 1579 CD2 LEU A 99 -7.441 -0.337 4.105 1.00 1.00 C ATOM 0 H LEU A 99 -7.396 0.409 7.198 1.00 1.00 H new ATOM 0 HA LEU A 99 -6.793 2.370 5.315 1.00 1.00 H new ATOM 0 HB2 LEU A 99 -9.634 1.472 5.996 1.00 1.00 H new ATOM 0 HB3 LEU A 99 -8.946 1.735 4.406 1.00 1.00 H new ATOM 0 HG LEU A 99 -7.745 -0.364 6.239 1.00 1.00 H new ATOM 0 HD11 LEU A 99 -9.264 -2.033 5.214 1.00 1.00 H new ATOM 0 HD12 LEU A 99 -10.179 -0.821 6.141 1.00 1.00 H new ATOM 0 HD13 LEU A 99 -10.126 -0.728 4.365 1.00 1.00 H new ATOM 0 HD21 LEU A 99 -7.146 -1.385 4.058 1.00 1.00 H new ATOM 0 HD22 LEU A 99 -8.007 -0.079 3.210 1.00 1.00 H new ATOM 0 HD23 LEU A 99 -6.550 0.288 4.164 1.00 1.00 H new ATOM 1591 N PHE A 100 -8.862 3.556 7.568 1.00 1.00 N ATOM 1592 CA PHE A 100 -9.383 4.843 8.101 1.00 1.00 C ATOM 1593 C PHE A 100 -8.368 5.423 9.086 1.00 1.00 C ATOM 1594 O PHE A 100 -8.346 6.610 9.348 1.00 1.00 O ATOM 1595 CB PHE A 100 -10.686 4.482 8.814 1.00 1.00 C ATOM 1596 CG PHE A 100 -11.796 4.350 7.798 1.00 1.00 C ATOM 1597 CD1 PHE A 100 -11.817 5.183 6.673 1.00 1.00 C ATOM 1598 CD2 PHE A 100 -12.803 3.395 7.982 1.00 1.00 C ATOM 1599 CE1 PHE A 100 -12.846 5.061 5.732 1.00 1.00 C ATOM 1600 CE2 PHE A 100 -13.832 3.273 7.040 1.00 1.00 C ATOM 1601 CZ PHE A 100 -13.853 4.106 5.915 1.00 1.00 C ATOM 0 H PHE A 100 -9.138 2.726 8.093 1.00 1.00 H new ATOM 0 HA PHE A 100 -9.550 5.589 7.324 1.00 1.00 H new ATOM 0 HB2 PHE A 100 -10.567 3.547 9.361 1.00 1.00 H new ATOM 0 HB3 PHE A 100 -10.938 5.250 9.546 1.00 1.00 H new ATOM 0 HD1 PHE A 100 -11.040 5.919 6.531 1.00 1.00 H new ATOM 0 HD2 PHE A 100 -12.786 2.753 8.850 1.00 1.00 H new ATOM 0 HE1 PHE A 100 -12.863 5.704 4.864 1.00 1.00 H new ATOM 0 HE2 PHE A 100 -14.609 2.537 7.181 1.00 1.00 H new ATOM 0 HZ PHE A 100 -14.646 4.012 5.188 1.00 1.00 H new ATOM 1611 N ASP A 101 -7.520 4.588 9.626 1.00 1.00 N ATOM 1612 CA ASP A 101 -6.495 5.082 10.587 1.00 1.00 C ATOM 1613 C ASP A 101 -5.608 6.120 9.900 1.00 1.00 C ATOM 1614 O ASP A 101 -4.974 6.933 10.543 1.00 1.00 O ATOM 1615 CB ASP A 101 -5.681 3.845 10.971 1.00 1.00 C ATOM 1616 CG ASP A 101 -6.488 2.985 11.944 1.00 1.00 C ATOM 1617 OD1 ASP A 101 -7.585 3.390 12.294 1.00 1.00 O ATOM 1618 OD2 ASP A 101 -5.997 1.934 12.323 1.00 1.00 O ATOM 0 H ASP A 101 -7.494 3.585 9.442 1.00 1.00 H new ATOM 0 HA ASP A 101 -6.935 5.560 11.462 1.00 1.00 H new ATOM 0 HB2 ASP A 101 -5.433 3.269 10.080 1.00 1.00 H new ATOM 0 HB3 ASP A 101 -4.739 4.145 11.429 1.00 1.00 H new ATOM 1805 N LYS A 116 9.330 -1.053 7.296 1.00 1.00 N ATOM 1806 CA LYS A 116 9.836 -2.209 8.091 1.00 1.00 C ATOM 1807 C LYS A 116 9.806 -1.877 9.586 1.00 1.00 C ATOM 1808 O LYS A 116 10.806 -1.508 10.170 1.00 1.00 O ATOM 1809 CB LYS A 116 11.275 -2.416 7.616 1.00 1.00 C ATOM 1810 CG LYS A 116 11.358 -3.691 6.774 1.00 1.00 C ATOM 1811 CD LYS A 116 10.456 -3.550 5.545 1.00 1.00 C ATOM 1812 CE LYS A 116 9.187 -4.380 5.746 1.00 1.00 C ATOM 1813 NZ LYS A 116 8.490 -4.340 4.430 1.00 1.00 N ATOM 0 HA LYS A 116 9.228 -3.103 7.953 1.00 1.00 H new ATOM 0 HB2 LYS A 116 11.602 -1.558 7.029 1.00 1.00 H new ATOM 0 HB3 LYS A 116 11.945 -2.489 8.473 1.00 1.00 H new ATOM 0 HG2 LYS A 116 12.388 -3.869 6.464 1.00 1.00 H new ATOM 0 HG3 LYS A 116 11.051 -4.552 7.367 1.00 1.00 H new ATOM 0 HD2 LYS A 116 10.197 -2.503 5.389 1.00 1.00 H new ATOM 0 HD3 LYS A 116 10.985 -3.885 4.652 1.00 1.00 H new ATOM 0 HE2 LYS A 116 9.426 -5.403 6.035 1.00 1.00 H new ATOM 0 HE3 LYS A 116 8.563 -3.963 6.536 1.00 1.00 H new ATOM 0 HZ1 LYS A 116 7.608 -4.888 4.487 1.00 1.00 H new ATOM 0 HZ2 LYS A 116 8.269 -3.354 4.184 1.00 1.00 H new ATOM 0 HZ3 LYS A 116 9.105 -4.750 3.699 1.00 1.00 H new ATOM 1826 N HIS A 117 8.667 -2.005 10.209 1.00 1.00 N ATOM 1827 CA HIS A 117 8.574 -1.697 11.665 1.00 1.00 C ATOM 1828 C HIS A 117 7.956 -2.878 12.418 1.00 1.00 C ATOM 1829 O HIS A 117 7.197 -3.650 11.866 1.00 1.00 O ATOM 1830 CB HIS A 117 7.665 -0.471 11.752 1.00 1.00 C ATOM 1831 CG HIS A 117 6.480 -0.785 12.623 1.00 1.00 C ATOM 1832 ND1 HIS A 117 5.488 -1.669 12.231 1.00 1.00 N ATOM 1833 CD2 HIS A 117 6.114 -0.341 13.870 1.00 1.00 C ATOM 1834 CE1 HIS A 117 4.582 -1.730 13.223 1.00 1.00 C ATOM 1835 NE2 HIS A 117 4.915 -0.939 14.247 1.00 1.00 N ATOM 0 H HIS A 117 7.796 -2.309 9.773 1.00 1.00 H new ATOM 0 HA HIS A 117 9.551 -1.513 12.112 1.00 1.00 H new ATOM 0 HB2 HIS A 117 8.217 0.375 12.162 1.00 1.00 H new ATOM 0 HB3 HIS A 117 7.331 -0.182 10.756 1.00 1.00 H new ATOM 0 HD1 HIS A 117 5.451 -2.181 11.350 1.00 1.00 H new ATOM 0 HD2 HIS A 117 6.672 0.365 14.467 1.00 1.00 H new ATOM 0 HE1 HIS A 117 3.694 -2.344 13.195 1.00 1.00 H new ATOM 1843 N HIS A 118 8.277 -3.026 13.675 1.00 1.00 N ATOM 1844 CA HIS A 118 7.708 -4.158 14.462 1.00 1.00 C ATOM 1845 C HIS A 118 6.189 -4.220 14.279 1.00 1.00 C ATOM 1846 O HIS A 118 5.553 -3.239 13.950 1.00 1.00 O ATOM 1847 CB HIS A 118 8.061 -3.845 15.916 1.00 1.00 C ATOM 1848 CG HIS A 118 7.246 -2.672 16.389 1.00 1.00 C ATOM 1849 ND1 HIS A 118 6.150 -2.202 15.684 1.00 1.00 N ATOM 1850 CD2 HIS A 118 7.355 -1.865 17.495 1.00 1.00 C ATOM 1851 CE1 HIS A 118 5.646 -1.156 16.367 1.00 1.00 C ATOM 1852 NE2 HIS A 118 6.344 -0.910 17.479 1.00 1.00 N ATOM 0 H HIS A 118 8.908 -2.413 14.191 1.00 1.00 H new ATOM 0 HA HIS A 118 8.105 -5.122 14.144 1.00 1.00 H new ATOM 0 HB2 HIS A 118 7.865 -4.714 16.544 1.00 1.00 H new ATOM 0 HB3 HIS A 118 9.124 -3.621 16.003 1.00 1.00 H new ATOM 0 HD1 HIS A 118 5.790 -2.579 14.807 1.00 1.00 H new ATOM 0 HD2 HIS A 118 8.111 -1.958 18.261 1.00 1.00 H new ATOM 0 HE1 HIS A 118 4.784 -0.586 16.054 1.00 1.00 H new ATOM 1860 N HIS A 119 5.604 -5.366 14.492 1.00 1.00 N ATOM 1861 CA HIS A 119 4.126 -5.491 14.333 1.00 1.00 C ATOM 1862 C HIS A 119 3.419 -5.108 15.635 1.00 1.00 C ATOM 1863 O HIS A 119 3.330 -5.893 16.558 1.00 1.00 O ATOM 1864 CB HIS A 119 3.886 -6.965 14.005 1.00 1.00 C ATOM 1865 CG HIS A 119 2.904 -7.073 12.872 1.00 1.00 C ATOM 1866 ND1 HIS A 119 2.258 -8.261 12.566 1.00 1.00 N ATOM 1867 CD2 HIS A 119 2.448 -6.153 11.962 1.00 1.00 C ATOM 1868 CE1 HIS A 119 1.455 -8.025 11.512 1.00 1.00 C ATOM 1869 NE2 HIS A 119 1.533 -6.755 11.103 1.00 1.00 N ATOM 0 H HIS A 119 6.085 -6.222 14.769 1.00 1.00 H new ATOM 0 HA HIS A 119 3.737 -4.832 13.556 1.00 1.00 H new ATOM 0 HB2 HIS A 119 4.826 -7.446 13.733 1.00 1.00 H new ATOM 0 HB3 HIS A 119 3.504 -7.486 14.883 1.00 1.00 H new ATOM 0 HD2 HIS A 119 2.753 -5.118 11.919 1.00 1.00 H new ATOM 0 HE1 HIS A 119 0.824 -8.771 11.052 1.00 1.00 H new ATOM 0 HE2 HIS A 119 1.031 -6.321 10.329 1.00 1.00 H new ATOM 1877 N ALA A 120 2.916 -3.906 15.716 1.00 1.00 N ATOM 1878 CA ALA A 120 2.215 -3.474 16.959 1.00 1.00 C ATOM 1879 C ALA A 120 0.796 -4.049 16.994 1.00 1.00 C ATOM 1880 O ALA A 120 0.176 -4.257 15.970 1.00 1.00 O ATOM 1881 CB ALA A 120 2.174 -1.949 16.882 1.00 1.00 C ATOM 0 H ALA A 120 2.960 -3.205 14.976 1.00 1.00 H new ATOM 0 HA ALA A 120 2.720 -3.822 17.860 1.00 1.00 H new ATOM 0 HB1 ALA A 120 1.671 -1.554 17.765 1.00 1.00 H new ATOM 0 HB2 ALA A 120 3.191 -1.559 16.838 1.00 1.00 H new ATOM 0 HB3 ALA A 120 1.630 -1.644 15.988 1.00 1.00 H new ATOM 1887 N SER A 121 0.280 -4.308 18.163 1.00 1.00 N ATOM 1888 CA SER A 121 -1.098 -4.869 18.261 1.00 1.00 C ATOM 1889 C SER A 121 -2.057 -3.822 18.836 1.00 1.00 C ATOM 1890 O SER A 121 -1.758 -3.163 19.811 1.00 1.00 O ATOM 1891 CB SER A 121 -0.975 -6.060 19.209 1.00 1.00 C ATOM 1892 OG SER A 121 -0.555 -7.203 18.476 1.00 1.00 O ATOM 0 H SER A 121 0.752 -4.156 19.055 1.00 1.00 H new ATOM 0 HA SER A 121 -1.494 -5.162 17.288 1.00 1.00 H new ATOM 0 HB2 SER A 121 -0.259 -5.837 20.000 1.00 1.00 H new ATOM 0 HB3 SER A 121 -1.932 -6.255 19.692 1.00 1.00 H new ATOM 0 HG SER A 121 -0.474 -7.969 19.082 1.00 1.00 H new ATOM 1898 N LYS A 122 -3.207 -3.666 18.239 1.00 1.00 N ATOM 1899 CA LYS A 122 -4.182 -2.662 18.752 1.00 1.00 C ATOM 1900 C LYS A 122 -5.093 -3.299 19.804 1.00 1.00 C ATOM 1901 O LYS A 122 -5.269 -4.501 19.841 1.00 1.00 O ATOM 1902 CB LYS A 122 -4.994 -2.236 17.528 1.00 1.00 C ATOM 1903 CG LYS A 122 -4.045 -1.774 16.421 1.00 1.00 C ATOM 1904 CD LYS A 122 -2.770 -1.201 17.045 1.00 1.00 C ATOM 1905 CE LYS A 122 -1.810 -0.764 15.937 1.00 1.00 C ATOM 1906 NZ LYS A 122 -1.899 0.723 15.918 1.00 1.00 N ATOM 0 H LYS A 122 -3.513 -4.190 17.419 1.00 1.00 H new ATOM 0 HA LYS A 122 -3.689 -1.815 19.229 1.00 1.00 H new ATOM 0 HB2 LYS A 122 -5.603 -3.068 17.175 1.00 1.00 H new ATOM 0 HB3 LYS A 122 -5.678 -1.430 17.795 1.00 1.00 H new ATOM 0 HG2 LYS A 122 -3.798 -2.610 15.767 1.00 1.00 H new ATOM 0 HG3 LYS A 122 -4.531 -1.019 15.803 1.00 1.00 H new ATOM 0 HD2 LYS A 122 -3.015 -0.352 17.684 1.00 1.00 H new ATOM 0 HD3 LYS A 122 -2.294 -1.950 17.678 1.00 1.00 H new ATOM 0 HE2 LYS A 122 -0.792 -1.096 16.142 1.00 1.00 H new ATOM 0 HE3 LYS A 122 -2.097 -1.189 14.975 1.00 1.00 H new ATOM 0 HZ1 LYS A 122 -1.268 1.099 15.182 1.00 1.00 H new ATOM 0 HZ2 LYS A 122 -2.878 1.010 15.714 1.00 1.00 H new ATOM 0 HZ3 LYS A 122 -1.614 1.100 16.845 1.00 1.00 H new ATOM 1919 N VAL A 123 -5.674 -2.504 20.661 1.00 1.00 N ATOM 1920 CA VAL A 123 -6.573 -3.067 21.709 1.00 1.00 C ATOM 1921 C VAL A 123 -7.838 -3.642 21.067 1.00 1.00 C ATOM 1922 O VAL A 123 -8.374 -3.092 20.126 1.00 1.00 O ATOM 1923 CB VAL A 123 -6.920 -1.881 22.609 1.00 1.00 C ATOM 1924 CG1 VAL A 123 -8.234 -2.163 23.341 1.00 1.00 C ATOM 1925 CG2 VAL A 123 -5.802 -1.675 23.634 1.00 1.00 C ATOM 0 H VAL A 123 -5.565 -1.490 20.681 1.00 1.00 H new ATOM 0 HA VAL A 123 -6.103 -3.878 22.265 1.00 1.00 H new ATOM 0 HB VAL A 123 -7.027 -0.983 22.001 1.00 1.00 H new ATOM 0 HG11 VAL A 123 -8.482 -1.318 23.983 1.00 1.00 H new ATOM 0 HG12 VAL A 123 -9.031 -2.312 22.613 1.00 1.00 H new ATOM 0 HG13 VAL A 123 -8.126 -3.061 23.949 1.00 1.00 H new ATOM 0 HG21 VAL A 123 -6.048 -0.829 24.276 1.00 1.00 H new ATOM 0 HG22 VAL A 123 -5.696 -2.574 24.242 1.00 1.00 H new ATOM 0 HG23 VAL A 123 -4.865 -1.475 23.115 1.00 1.00 H new ATOM 1935 N ASP A 124 -8.318 -4.748 21.569 1.00 1.00 N ATOM 1936 CA ASP A 124 -9.548 -5.357 20.986 1.00 1.00 C ATOM 1937 C ASP A 124 -10.773 -4.502 21.323 1.00 1.00 C ATOM 1938 O ASP A 124 -10.615 -3.298 21.443 1.00 1.00 O ATOM 1939 CB ASP A 124 -9.658 -6.733 21.644 1.00 1.00 C ATOM 1940 CG ASP A 124 -10.678 -7.583 20.884 1.00 1.00 C ATOM 1941 OD1 ASP A 124 -10.341 -8.061 19.814 1.00 1.00 O ATOM 1942 OD2 ASP A 124 -11.778 -7.741 21.386 1.00 1.00 O ATOM 0 H ASP A 124 -7.913 -5.255 22.356 1.00 1.00 H new ATOM 0 HA ASP A 124 -9.499 -5.427 19.899 1.00 1.00 H new ATOM 0 HB2 ASP A 124 -8.686 -7.226 21.644 1.00 1.00 H new ATOM 0 HB3 ASP A 124 -9.962 -6.626 22.685 1.00 1.00 H new