USER MOD reduce.3.24.130724 H: found=0, std=0, add=905, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 907 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 29 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 113 LYS NZ :NH3+ -160:sc= 0 (180deg=-0.0776) USER MOD Set 2.1: A 103 GLN : amide:sc= -5.2! C(o=-13!,f=-20!) USER MOD Set 2.2: A 104 GLN : amide:sc= -7.89! C(o=-13!,f=-14!) USER MOD Set 3.1: A 62 THR OG1 : rot 180:sc= 0.946 USER MOD Set 3.2: A 64 THR OG1 : rot -68:sc= 1.03 USER MOD Single : A 8 SER OG : rot -129:sc= -3.92! USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= -0.133 USER MOD Single : A 30 LYS NZ :NH3+ -130:sc= -0.636 (180deg=-4.39!) USER MOD Single : A 31 LYS NZ :NH3+ -105:sc= -0.918 (180deg=-2.36!) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot -21:sc= 0.32 USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl -117:sc= -2.95! (180deg=-4.11!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 HIS : no HE2:sc= -0.458 K(o=-0.46,f=-1.4) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 GLN : amide:sc= -0.346 X(o=-0.35,f=0) USER MOD Single : A 82 TYR OH : rot 180:sc= -0.55 USER MOD Single : A 84 ASN :FLIP amide:sc= -4.43! F(o=-5.2,f=-4.4!) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 ASN :FLIP amide:sc= 0 F(o=-0.57,f=0) USER MOD Single : A 98 ASN : amide:sc= -0.597 X(o=-0.6,f=-0.14) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0.0727 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 SER OG : rot 91:sc= 0.124 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 14 N ARG A 2 7.330 4.113 -13.168 1.00 0.00 N ATOM 15 CA ARG A 2 7.668 4.345 -11.769 1.00 0.00 C ATOM 16 C ARG A 2 7.157 3.205 -10.893 1.00 0.00 C ATOM 17 O ARG A 2 6.638 2.211 -11.399 1.00 0.00 O ATOM 18 CB ARG A 2 7.088 5.683 -11.295 1.00 0.00 C ATOM 19 CG ARG A 2 5.642 5.911 -11.710 1.00 0.00 C ATOM 20 CD ARG A 2 5.542 6.514 -13.103 1.00 0.00 C ATOM 21 NE ARG A 2 5.811 7.952 -13.100 1.00 0.00 N ATOM 22 CZ ARG A 2 7.003 8.489 -13.354 1.00 0.00 C ATOM 23 NH1 ARG A 2 8.047 7.718 -13.632 1.00 0.00 N ATOM 24 NH2 ARG A 2 7.152 9.807 -13.327 1.00 0.00 N ATOM 0 HA ARG A 2 8.754 4.384 -11.681 1.00 0.00 H new ATOM 0 HB2 ARG A 2 7.156 5.732 -10.208 1.00 0.00 H new ATOM 0 HB3 ARG A 2 7.701 6.493 -11.690 1.00 0.00 H new ATOM 0 HG2 ARG A 2 5.103 4.964 -11.684 1.00 0.00 H new ATOM 0 HG3 ARG A 2 5.158 6.573 -10.992 1.00 0.00 H new ATOM 0 HD2 ARG A 2 6.249 6.015 -13.765 1.00 0.00 H new ATOM 0 HD3 ARG A 2 4.545 6.333 -13.505 1.00 0.00 H new ATOM 0 HE ARG A 2 5.037 8.583 -12.890 1.00 0.00 H new ATOM 0 HH11 ARG A 2 7.941 6.704 -13.653 1.00 0.00 H new ATOM 0 HH12 ARG A 2 8.955 8.140 -13.825 1.00 0.00 H new ATOM 0 HH21 ARG A 2 6.355 10.406 -13.112 1.00 0.00 H new ATOM 0 HH22 ARG A 2 8.064 10.221 -13.521 1.00 0.00 H new ATOM 38 N LEU A 3 7.308 3.353 -9.578 1.00 0.00 N ATOM 39 CA LEU A 3 6.862 2.334 -8.627 1.00 0.00 C ATOM 40 C LEU A 3 5.452 1.858 -8.953 1.00 0.00 C ATOM 41 O LEU A 3 4.474 2.458 -8.520 1.00 0.00 O ATOM 42 CB LEU A 3 6.893 2.895 -7.205 1.00 0.00 C ATOM 43 CG LEU A 3 7.077 1.861 -6.095 1.00 0.00 C ATOM 44 CD1 LEU A 3 8.289 0.987 -6.376 1.00 0.00 C ATOM 45 CD2 LEU A 3 7.212 2.554 -4.749 1.00 0.00 C ATOM 0 H LEU A 3 7.737 4.171 -9.145 1.00 0.00 H new ATOM 0 HA LEU A 3 7.541 1.485 -8.702 1.00 0.00 H new ATOM 0 HB2 LEU A 3 7.702 3.623 -7.138 1.00 0.00 H new ATOM 0 HB3 LEU A 3 5.963 3.434 -7.025 1.00 0.00 H new ATOM 0 HG LEU A 3 6.196 1.219 -6.066 1.00 0.00 H new ATOM 0 HD11 LEU A 3 8.404 0.257 -5.575 1.00 0.00 H new ATOM 0 HD12 LEU A 3 8.151 0.467 -7.324 1.00 0.00 H new ATOM 0 HD13 LEU A 3 9.182 1.610 -6.431 1.00 0.00 H new ATOM 0 HD21 LEU A 3 7.343 1.807 -3.966 1.00 0.00 H new ATOM 0 HD22 LEU A 3 8.077 3.217 -4.766 1.00 0.00 H new ATOM 0 HD23 LEU A 3 6.313 3.137 -4.548 1.00 0.00 H new ATOM 57 N GLU A 4 5.352 0.779 -9.719 1.00 0.00 N ATOM 58 CA GLU A 4 4.053 0.244 -10.094 1.00 0.00 C ATOM 59 C GLU A 4 4.043 -1.278 -10.043 1.00 0.00 C ATOM 60 O GLU A 4 5.093 -1.922 -10.019 1.00 0.00 O ATOM 61 CB GLU A 4 3.674 0.722 -11.496 1.00 0.00 C ATOM 62 CG GLU A 4 4.571 0.167 -12.591 1.00 0.00 C ATOM 63 CD GLU A 4 4.548 1.016 -13.848 1.00 0.00 C ATOM 64 OE1 GLU A 4 4.395 2.249 -13.729 1.00 0.00 O ATOM 65 OE2 GLU A 4 4.683 0.446 -14.952 1.00 0.00 O ATOM 0 H GLU A 4 6.149 0.262 -10.089 1.00 0.00 H new ATOM 0 HA GLU A 4 3.319 0.610 -9.376 1.00 0.00 H new ATOM 0 HB2 GLU A 4 2.643 0.435 -11.702 1.00 0.00 H new ATOM 0 HB3 GLU A 4 3.713 1.811 -11.523 1.00 0.00 H new ATOM 0 HG2 GLU A 4 5.594 0.101 -12.220 1.00 0.00 H new ATOM 0 HG3 GLU A 4 4.255 -0.847 -12.836 1.00 0.00 H new ATOM 72 N GLY A 5 2.844 -1.845 -10.027 1.00 0.00 N ATOM 73 CA GLY A 5 2.694 -3.286 -9.980 1.00 0.00 C ATOM 74 C GLY A 5 1.404 -3.692 -9.301 1.00 0.00 C ATOM 75 O GLY A 5 0.447 -2.919 -9.271 1.00 0.00 O ATOM 0 H GLY A 5 1.965 -1.327 -10.046 1.00 0.00 H new ATOM 0 HA2 GLY A 5 2.714 -3.687 -10.993 1.00 0.00 H new ATOM 0 HA3 GLY A 5 3.539 -3.723 -9.447 1.00 0.00 H new ATOM 79 N TRP A 6 1.372 -4.897 -8.747 1.00 0.00 N ATOM 80 CA TRP A 6 0.181 -5.376 -8.063 1.00 0.00 C ATOM 81 C TRP A 6 0.471 -5.676 -6.601 1.00 0.00 C ATOM 82 O TRP A 6 1.340 -6.485 -6.283 1.00 0.00 O ATOM 83 CB TRP A 6 -0.371 -6.627 -8.741 1.00 0.00 C ATOM 84 CG TRP A 6 -0.551 -6.453 -10.209 1.00 0.00 C ATOM 85 CD1 TRP A 6 0.429 -6.484 -11.146 1.00 0.00 C ATOM 86 CD2 TRP A 6 -1.776 -6.212 -10.909 1.00 0.00 C ATOM 87 NE1 TRP A 6 -0.102 -6.268 -12.390 1.00 0.00 N ATOM 88 CE2 TRP A 6 -1.456 -6.102 -12.274 1.00 0.00 C ATOM 89 CE3 TRP A 6 -3.110 -6.077 -10.516 1.00 0.00 C ATOM 90 CZ2 TRP A 6 -2.422 -5.864 -13.249 1.00 0.00 C ATOM 91 CZ3 TRP A 6 -4.069 -5.843 -11.484 1.00 0.00 C ATOM 92 CH2 TRP A 6 -3.720 -5.739 -12.837 1.00 0.00 C ATOM 0 H TRP A 6 2.151 -5.555 -8.758 1.00 0.00 H new ATOM 0 HA TRP A 6 -0.566 -4.584 -8.117 1.00 0.00 H new ATOM 0 HB2 TRP A 6 0.305 -7.462 -8.558 1.00 0.00 H new ATOM 0 HB3 TRP A 6 -1.329 -6.887 -8.290 1.00 0.00 H new ATOM 0 HD1 TRP A 6 1.476 -6.654 -10.941 1.00 0.00 H new ATOM 0 HE1 TRP A 6 0.426 -6.236 -13.262 1.00 0.00 H new ATOM 0 HE3 TRP A 6 -3.387 -6.154 -9.475 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 -2.156 -5.781 -14.292 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 -5.104 -5.739 -11.193 1.00 0.00 H new ATOM 0 HH2 TRP A 6 -4.492 -5.556 -13.570 1.00 0.00 H new ATOM 103 N LEU A 7 -0.279 -5.036 -5.719 1.00 0.00 N ATOM 104 CA LEU A 7 -0.124 -5.252 -4.290 1.00 0.00 C ATOM 105 C LEU A 7 -1.433 -5.762 -3.725 1.00 0.00 C ATOM 106 O LEU A 7 -2.504 -5.422 -4.220 1.00 0.00 O ATOM 107 CB LEU A 7 0.303 -3.972 -3.582 1.00 0.00 C ATOM 108 CG LEU A 7 1.679 -3.441 -3.984 1.00 0.00 C ATOM 109 CD1 LEU A 7 1.802 -1.973 -3.620 1.00 0.00 C ATOM 110 CD2 LEU A 7 2.779 -4.252 -3.313 1.00 0.00 C ATOM 0 H LEU A 7 -1.002 -4.361 -5.968 1.00 0.00 H new ATOM 0 HA LEU A 7 0.660 -5.991 -4.125 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -0.440 -3.200 -3.780 1.00 0.00 H new ATOM 0 HB3 LEU A 7 0.299 -4.150 -2.507 1.00 0.00 H new ATOM 0 HG LEU A 7 1.789 -3.541 -5.064 1.00 0.00 H new ATOM 0 HD11 LEU A 7 2.786 -1.607 -3.912 1.00 0.00 H new ATOM 0 HD12 LEU A 7 1.034 -1.403 -4.142 1.00 0.00 H new ATOM 0 HD13 LEU A 7 1.674 -1.853 -2.544 1.00 0.00 H new ATOM 0 HD21 LEU A 7 3.752 -3.861 -3.610 1.00 0.00 H new ATOM 0 HD22 LEU A 7 2.674 -4.181 -2.230 1.00 0.00 H new ATOM 0 HD23 LEU A 7 2.699 -5.295 -3.618 1.00 0.00 H new ATOM 122 N SER A 8 -1.344 -6.602 -2.713 1.00 0.00 N ATOM 123 CA SER A 8 -2.534 -7.197 -2.118 1.00 0.00 C ATOM 124 C SER A 8 -3.089 -6.361 -0.973 1.00 0.00 C ATOM 125 O SER A 8 -2.342 -5.745 -0.211 1.00 0.00 O ATOM 126 CB SER A 8 -2.233 -8.618 -1.631 1.00 0.00 C ATOM 127 OG SER A 8 -0.850 -8.912 -1.729 1.00 0.00 O ATOM 0 H SER A 8 -0.465 -6.890 -2.283 1.00 0.00 H new ATOM 0 HA SER A 8 -3.297 -7.232 -2.896 1.00 0.00 H new ATOM 0 HB2 SER A 8 -2.558 -8.727 -0.596 1.00 0.00 H new ATOM 0 HB3 SER A 8 -2.803 -9.336 -2.221 1.00 0.00 H new ATOM 0 HG SER A 8 -0.729 -9.762 -2.202 1.00 0.00 H new ATOM 133 N LEU A 9 -4.413 -6.358 -0.861 1.00 0.00 N ATOM 134 CA LEU A 9 -5.105 -5.618 0.183 1.00 0.00 C ATOM 135 C LEU A 9 -6.074 -6.537 0.921 1.00 0.00 C ATOM 136 O LEU A 9 -6.524 -7.542 0.372 1.00 0.00 O ATOM 137 CB LEU A 9 -5.864 -4.435 -0.422 1.00 0.00 C ATOM 138 CG LEU A 9 -4.998 -3.433 -1.187 1.00 0.00 C ATOM 139 CD1 LEU A 9 -4.837 -3.864 -2.637 1.00 0.00 C ATOM 140 CD2 LEU A 9 -5.599 -2.038 -1.108 1.00 0.00 C ATOM 0 H LEU A 9 -5.033 -6.867 -1.490 1.00 0.00 H new ATOM 0 HA LEU A 9 -4.368 -5.238 0.891 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -6.629 -4.820 -1.096 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -6.382 -3.907 0.379 1.00 0.00 H new ATOM 0 HG LEU A 9 -4.011 -3.408 -0.724 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -4.218 -3.139 -3.165 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -4.361 -4.844 -2.675 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -5.817 -3.919 -3.111 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -4.969 -1.339 -1.658 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -6.598 -2.047 -1.544 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -5.661 -1.727 -0.065 1.00 0.00 H new ATOM 152 N PRO A 10 -6.411 -6.210 2.179 1.00 0.00 N ATOM 153 CA PRO A 10 -7.329 -7.024 2.977 1.00 0.00 C ATOM 154 C PRO A 10 -8.711 -7.128 2.341 1.00 0.00 C ATOM 155 O PRO A 10 -9.540 -6.228 2.473 1.00 0.00 O ATOM 156 CB PRO A 10 -7.409 -6.286 4.319 1.00 0.00 C ATOM 157 CG PRO A 10 -6.923 -4.904 4.036 1.00 0.00 C ATOM 158 CD PRO A 10 -5.926 -5.035 2.920 1.00 0.00 C ATOM 0 HA PRO A 10 -6.978 -8.052 3.070 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -8.430 -6.274 4.701 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -6.792 -6.773 5.074 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -7.748 -4.252 3.748 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -6.463 -4.464 4.921 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -5.903 -4.144 2.293 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -4.915 -5.185 3.298 1.00 0.00 H new ATOM 166 N VAL A 11 -8.949 -8.238 1.650 1.00 0.00 N ATOM 167 CA VAL A 11 -10.226 -8.473 0.988 1.00 0.00 C ATOM 168 C VAL A 11 -11.235 -9.085 1.957 1.00 0.00 C ATOM 169 O VAL A 11 -10.897 -9.395 3.099 1.00 0.00 O ATOM 170 CB VAL A 11 -10.044 -9.396 -0.241 1.00 0.00 C ATOM 171 CG1 VAL A 11 -9.904 -10.855 0.174 1.00 0.00 C ATOM 172 CG2 VAL A 11 -11.192 -9.220 -1.225 1.00 0.00 C ATOM 0 H VAL A 11 -8.271 -8.991 1.534 1.00 0.00 H new ATOM 0 HA VAL A 11 -10.609 -7.511 0.649 1.00 0.00 H new ATOM 0 HB VAL A 11 -9.119 -9.105 -0.739 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -9.778 -11.475 -0.713 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -9.035 -10.967 0.822 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -10.799 -11.168 0.711 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -11.042 -9.879 -2.080 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -12.133 -9.470 -0.735 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -11.224 -8.185 -1.565 1.00 0.00 H new ATOM 319 N TRP A 20 -6.476 -11.837 0.345 1.00 0.00 N ATOM 320 CA TRP A 20 -5.618 -10.867 -0.324 1.00 0.00 C ATOM 321 C TRP A 20 -5.961 -10.752 -1.804 1.00 0.00 C ATOM 322 O TRP A 20 -6.204 -11.752 -2.479 1.00 0.00 O ATOM 323 CB TRP A 20 -4.145 -11.251 -0.172 1.00 0.00 C ATOM 324 CG TRP A 20 -3.685 -11.295 1.253 1.00 0.00 C ATOM 325 CD1 TRP A 20 -3.222 -12.384 1.935 1.00 0.00 C ATOM 326 CD2 TRP A 20 -3.641 -10.198 2.172 1.00 0.00 C ATOM 327 NE1 TRP A 20 -2.893 -12.030 3.222 1.00 0.00 N ATOM 328 CE2 TRP A 20 -3.141 -10.693 3.391 1.00 0.00 C ATOM 329 CE3 TRP A 20 -3.975 -8.843 2.081 1.00 0.00 C ATOM 330 CZ2 TRP A 20 -2.968 -9.881 4.511 1.00 0.00 C ATOM 331 CZ3 TRP A 20 -3.803 -8.040 3.193 1.00 0.00 C ATOM 332 CH2 TRP A 20 -3.303 -8.560 4.393 1.00 0.00 C ATOM 0 HA TRP A 20 -5.789 -9.901 0.151 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -3.983 -12.227 -0.629 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -3.532 -10.536 -0.722 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -3.128 -13.378 1.523 1.00 0.00 H new ATOM 0 HE1 TRP A 20 -2.524 -12.660 3.935 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -4.360 -8.432 1.160 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 -2.584 -10.280 5.438 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 -4.059 -6.992 3.135 1.00 0.00 H new ATOM 0 HH2 TRP A 20 -3.179 -7.905 5.243 1.00 0.00 H new ATOM 343 N VAL A 21 -5.966 -9.522 -2.299 1.00 0.00 N ATOM 344 CA VAL A 21 -6.262 -9.257 -3.703 1.00 0.00 C ATOM 345 C VAL A 21 -5.297 -8.216 -4.252 1.00 0.00 C ATOM 346 O VAL A 21 -5.332 -7.055 -3.842 1.00 0.00 O ATOM 347 CB VAL A 21 -7.711 -8.763 -3.890 1.00 0.00 C ATOM 348 CG1 VAL A 21 -7.940 -7.473 -3.116 1.00 0.00 C ATOM 349 CG2 VAL A 21 -8.025 -8.572 -5.366 1.00 0.00 C ATOM 0 H VAL A 21 -5.768 -8.687 -1.747 1.00 0.00 H new ATOM 0 HA VAL A 21 -6.145 -10.193 -4.249 1.00 0.00 H new ATOM 0 HB VAL A 21 -8.387 -9.521 -3.495 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -8.968 -7.140 -3.260 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -7.761 -7.648 -2.055 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -7.256 -6.705 -3.478 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -9.052 -8.223 -5.477 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -7.343 -7.835 -5.791 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -7.905 -9.521 -5.889 1.00 0.00 H new ATOM 359 N LYS A 22 -4.416 -8.629 -5.160 1.00 0.00 N ATOM 360 CA LYS A 22 -3.440 -7.714 -5.720 1.00 0.00 C ATOM 361 C LYS A 22 -4.072 -6.735 -6.707 1.00 0.00 C ATOM 362 O LYS A 22 -4.488 -7.116 -7.800 1.00 0.00 O ATOM 363 CB LYS A 22 -2.306 -8.484 -6.396 1.00 0.00 C ATOM 364 CG LYS A 22 -2.710 -9.152 -7.696 1.00 0.00 C ATOM 365 CD LYS A 22 -1.641 -10.111 -8.180 1.00 0.00 C ATOM 366 CE LYS A 22 -1.220 -9.775 -9.597 1.00 0.00 C ATOM 367 NZ LYS A 22 -0.570 -10.929 -10.278 1.00 0.00 N ATOM 0 H LYS A 22 -4.362 -9.583 -5.517 1.00 0.00 H new ATOM 0 HA LYS A 22 -3.034 -7.132 -4.892 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -1.480 -7.800 -6.591 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -1.934 -9.244 -5.708 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -3.647 -9.691 -7.554 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -2.891 -8.392 -8.456 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -0.776 -10.064 -7.518 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -2.018 -11.133 -8.140 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -2.093 -9.462 -10.169 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -0.531 -8.930 -9.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -0.299 -10.654 -11.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 0.278 -11.212 -9.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -1.235 -11.727 -10.319 1.00 0.00 H new ATOM 381 N LYS A 23 -4.113 -5.467 -6.319 1.00 0.00 N ATOM 382 CA LYS A 23 -4.653 -4.423 -7.173 1.00 0.00 C ATOM 383 C LYS A 23 -3.503 -3.650 -7.798 1.00 0.00 C ATOM 384 O LYS A 23 -2.453 -3.486 -7.179 1.00 0.00 O ATOM 385 CB LYS A 23 -5.552 -3.476 -6.376 1.00 0.00 C ATOM 386 CG LYS A 23 -6.707 -4.176 -5.677 1.00 0.00 C ATOM 387 CD LYS A 23 -7.933 -4.253 -6.572 1.00 0.00 C ATOM 388 CE LYS A 23 -9.207 -3.935 -5.805 1.00 0.00 C ATOM 389 NZ LYS A 23 -10.336 -4.813 -6.214 1.00 0.00 N ATOM 0 H LYS A 23 -3.777 -5.138 -5.414 1.00 0.00 H new ATOM 0 HA LYS A 23 -5.259 -4.881 -7.955 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -4.949 -2.957 -5.631 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -5.952 -2.717 -7.048 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -6.403 -5.182 -5.387 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -6.957 -3.642 -4.760 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -7.823 -3.554 -7.401 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -8.007 -5.251 -7.004 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -9.026 -4.051 -4.736 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -9.480 -2.893 -5.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -11.185 -4.564 -5.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -10.526 -4.684 -7.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -10.087 -5.806 -6.032 1.00 0.00 H new ATOM 403 N TYR A 24 -3.689 -3.192 -9.026 1.00 0.00 N ATOM 404 CA TYR A 24 -2.637 -2.459 -9.712 1.00 0.00 C ATOM 405 C TYR A 24 -2.370 -1.115 -9.052 1.00 0.00 C ATOM 406 O TYR A 24 -3.120 -0.156 -9.236 1.00 0.00 O ATOM 407 CB TYR A 24 -2.983 -2.260 -11.185 1.00 0.00 C ATOM 408 CG TYR A 24 -1.767 -2.275 -12.086 1.00 0.00 C ATOM 409 CD1 TYR A 24 -0.757 -3.213 -11.905 1.00 0.00 C ATOM 410 CD2 TYR A 24 -1.625 -1.348 -13.109 1.00 0.00 C ATOM 411 CE1 TYR A 24 0.359 -3.227 -12.720 1.00 0.00 C ATOM 412 CE2 TYR A 24 -0.511 -1.356 -13.929 1.00 0.00 C ATOM 413 CZ TYR A 24 0.476 -2.296 -13.729 1.00 0.00 C ATOM 414 OH TYR A 24 1.588 -2.306 -14.542 1.00 0.00 O ATOM 0 H TYR A 24 -4.548 -3.313 -9.563 1.00 0.00 H new ATOM 0 HA TYR A 24 -1.728 -3.057 -9.642 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -3.671 -3.044 -11.500 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -3.505 -1.311 -11.305 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -0.846 -3.943 -11.114 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -2.396 -0.609 -13.267 1.00 0.00 H new ATOM 0 HE1 TYR A 24 1.134 -3.963 -12.567 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -0.416 -0.629 -14.722 1.00 0.00 H new ATOM 0 HH TYR A 24 1.516 -1.586 -15.203 1.00 0.00 H new ATOM 424 N VAL A 25 -1.281 -1.051 -8.294 1.00 0.00 N ATOM 425 CA VAL A 25 -0.889 0.174 -7.615 1.00 0.00 C ATOM 426 C VAL A 25 0.264 0.840 -8.348 1.00 0.00 C ATOM 427 O VAL A 25 1.292 0.213 -8.607 1.00 0.00 O ATOM 428 CB VAL A 25 -0.462 -0.084 -6.156 1.00 0.00 C ATOM 429 CG1 VAL A 25 -0.352 1.228 -5.394 1.00 0.00 C ATOM 430 CG2 VAL A 25 -1.436 -1.028 -5.468 1.00 0.00 C ATOM 0 H VAL A 25 -0.653 -1.839 -8.135 1.00 0.00 H new ATOM 0 HA VAL A 25 -1.763 0.826 -7.612 1.00 0.00 H new ATOM 0 HB VAL A 25 0.519 -0.559 -6.164 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -0.050 1.028 -4.366 1.00 0.00 H new ATOM 0 HG12 VAL A 25 0.391 1.866 -5.873 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -1.318 1.732 -5.396 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -1.115 -1.196 -4.440 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -2.433 -0.587 -5.470 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -1.459 -1.979 -6.001 1.00 0.00 H new ATOM 440 N ILE A 26 0.093 2.111 -8.682 1.00 0.00 N ATOM 441 CA ILE A 26 1.129 2.854 -9.384 1.00 0.00 C ATOM 442 C ILE A 26 1.370 4.199 -8.714 1.00 0.00 C ATOM 443 O ILE A 26 0.494 5.062 -8.697 1.00 0.00 O ATOM 444 CB ILE A 26 0.757 3.077 -10.865 1.00 0.00 C ATOM 445 CG1 ILE A 26 0.141 1.808 -11.457 1.00 0.00 C ATOM 446 CG2 ILE A 26 1.983 3.496 -11.666 1.00 0.00 C ATOM 447 CD1 ILE A 26 -0.180 1.924 -12.933 1.00 0.00 C ATOM 0 H ILE A 26 -0.750 2.648 -8.479 1.00 0.00 H new ATOM 0 HA ILE A 26 2.042 2.259 -9.341 1.00 0.00 H new ATOM 0 HB ILE A 26 0.020 3.878 -10.919 1.00 0.00 H new ATOM 0 HG12 ILE A 26 0.829 0.976 -11.307 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -0.772 1.569 -10.912 1.00 0.00 H new ATOM 0 HG21 ILE A 26 1.702 3.649 -12.708 1.00 0.00 H new ATOM 0 HG22 ILE A 26 2.384 4.424 -11.258 1.00 0.00 H new ATOM 0 HG23 ILE A 26 2.741 2.715 -11.605 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -0.614 0.988 -13.286 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -0.892 2.735 -13.088 1.00 0.00 H new ATOM 0 HD13 ILE A 26 0.734 2.133 -13.489 1.00 0.00 H new ATOM 459 N VAL A 27 2.565 4.369 -8.162 1.00 0.00 N ATOM 460 CA VAL A 27 2.924 5.606 -7.487 1.00 0.00 C ATOM 461 C VAL A 27 3.529 6.604 -8.465 1.00 0.00 C ATOM 462 O VAL A 27 4.684 6.473 -8.868 1.00 0.00 O ATOM 463 CB VAL A 27 3.928 5.354 -6.348 1.00 0.00 C ATOM 464 CG1 VAL A 27 4.129 6.615 -5.522 1.00 0.00 C ATOM 465 CG2 VAL A 27 3.462 4.201 -5.471 1.00 0.00 C ATOM 0 H VAL A 27 3.302 3.664 -8.170 1.00 0.00 H new ATOM 0 HA VAL A 27 2.005 6.017 -7.068 1.00 0.00 H new ATOM 0 HB VAL A 27 4.887 5.081 -6.788 1.00 0.00 H new ATOM 0 HG11 VAL A 27 4.842 6.416 -4.722 1.00 0.00 H new ATOM 0 HG12 VAL A 27 4.513 7.411 -6.160 1.00 0.00 H new ATOM 0 HG13 VAL A 27 3.177 6.923 -5.091 1.00 0.00 H new ATOM 0 HG21 VAL A 27 4.184 4.037 -4.671 1.00 0.00 H new ATOM 0 HG22 VAL A 27 2.491 4.442 -5.039 1.00 0.00 H new ATOM 0 HG23 VAL A 27 3.377 3.297 -6.074 1.00 0.00 H new ATOM 475 N SER A 28 2.741 7.605 -8.839 1.00 0.00 N ATOM 476 CA SER A 28 3.199 8.630 -9.767 1.00 0.00 C ATOM 477 C SER A 28 3.928 9.743 -9.025 1.00 0.00 C ATOM 478 O SER A 28 3.763 9.910 -7.817 1.00 0.00 O ATOM 479 CB SER A 28 2.016 9.209 -10.548 1.00 0.00 C ATOM 480 OG SER A 28 2.366 10.432 -11.171 1.00 0.00 O ATOM 0 H SER A 28 1.782 7.728 -8.514 1.00 0.00 H new ATOM 0 HA SER A 28 3.894 8.168 -10.468 1.00 0.00 H new ATOM 0 HB2 SER A 28 1.689 8.493 -11.302 1.00 0.00 H new ATOM 0 HB3 SER A 28 1.174 9.368 -9.874 1.00 0.00 H new ATOM 0 HG SER A 28 1.594 10.780 -11.665 1.00 0.00 H new ATOM 486 N SER A 29 4.737 10.501 -9.756 1.00 0.00 N ATOM 487 CA SER A 29 5.495 11.600 -9.169 1.00 0.00 C ATOM 488 C SER A 29 4.586 12.546 -8.387 1.00 0.00 C ATOM 489 O SER A 29 3.759 13.249 -8.967 1.00 0.00 O ATOM 490 CB SER A 29 6.235 12.375 -10.261 1.00 0.00 C ATOM 491 OG SER A 29 7.533 11.847 -10.472 1.00 0.00 O ATOM 0 H SER A 29 4.885 10.375 -10.757 1.00 0.00 H new ATOM 0 HA SER A 29 6.219 11.173 -8.476 1.00 0.00 H new ATOM 0 HB2 SER A 29 5.666 12.332 -11.190 1.00 0.00 H new ATOM 0 HB3 SER A 29 6.308 13.426 -9.980 1.00 0.00 H new ATOM 0 HG SER A 29 7.984 12.359 -11.176 1.00 0.00 H new ATOM 497 N LYS A 30 4.751 12.556 -7.067 1.00 0.00 N ATOM 498 CA LYS A 30 3.954 13.416 -6.196 1.00 0.00 C ATOM 499 C LYS A 30 2.475 13.043 -6.243 1.00 0.00 C ATOM 500 O LYS A 30 1.606 13.908 -6.140 1.00 0.00 O ATOM 501 CB LYS A 30 4.134 14.884 -6.589 1.00 0.00 C ATOM 502 CG LYS A 30 5.559 15.388 -6.426 1.00 0.00 C ATOM 503 CD LYS A 30 5.859 15.765 -4.984 1.00 0.00 C ATOM 504 CE LYS A 30 7.180 15.178 -4.515 1.00 0.00 C ATOM 505 NZ LYS A 30 7.101 14.680 -3.114 1.00 0.00 N ATOM 0 H LYS A 30 5.432 11.976 -6.576 1.00 0.00 H new ATOM 0 HA LYS A 30 4.307 13.270 -5.175 1.00 0.00 H new ATOM 0 HB2 LYS A 30 3.828 15.013 -7.627 1.00 0.00 H new ATOM 0 HB3 LYS A 30 3.469 15.498 -5.982 1.00 0.00 H new ATOM 0 HG2 LYS A 30 6.257 14.618 -6.754 1.00 0.00 H new ATOM 0 HG3 LYS A 30 5.715 16.254 -7.069 1.00 0.00 H new ATOM 0 HD2 LYS A 30 5.889 16.851 -4.890 1.00 0.00 H new ATOM 0 HD3 LYS A 30 5.054 15.411 -4.340 1.00 0.00 H new ATOM 0 HE2 LYS A 30 7.468 14.360 -5.175 1.00 0.00 H new ATOM 0 HE3 LYS A 30 7.960 15.936 -4.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 7.897 15.062 -2.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 6.205 14.989 -2.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 7.146 13.641 -3.112 1.00 0.00 H new ATOM 519 N LYS A 31 2.195 11.751 -6.393 1.00 0.00 N ATOM 520 CA LYS A 31 0.816 11.274 -6.445 1.00 0.00 C ATOM 521 C LYS A 31 0.764 9.752 -6.524 1.00 0.00 C ATOM 522 O LYS A 31 1.460 9.138 -7.329 1.00 0.00 O ATOM 523 CB LYS A 31 0.091 11.883 -7.648 1.00 0.00 C ATOM 524 CG LYS A 31 -1.356 11.432 -7.780 1.00 0.00 C ATOM 525 CD LYS A 31 -2.273 12.590 -8.142 1.00 0.00 C ATOM 526 CE LYS A 31 -2.313 13.636 -7.039 1.00 0.00 C ATOM 527 NZ LYS A 31 -1.416 14.789 -7.332 1.00 0.00 N ATOM 0 H LYS A 31 2.900 11.019 -6.480 1.00 0.00 H new ATOM 0 HA LYS A 31 0.317 11.587 -5.528 1.00 0.00 H new ATOM 0 HB2 LYS A 31 0.118 12.970 -7.566 1.00 0.00 H new ATOM 0 HB3 LYS A 31 0.630 11.619 -8.558 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -1.428 10.658 -8.544 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -1.686 10.986 -6.842 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -1.931 13.050 -9.069 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -3.280 12.215 -8.325 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -3.335 13.994 -6.915 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -2.019 13.179 -6.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -0.565 14.726 -6.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -1.141 14.769 -8.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -1.915 15.678 -7.128 1.00 0.00 H new ATOM 541 N ILE A 32 -0.075 9.153 -5.686 1.00 0.00 N ATOM 542 CA ILE A 32 -0.233 7.703 -5.661 1.00 0.00 C ATOM 543 C ILE A 32 -1.512 7.297 -6.383 1.00 0.00 C ATOM 544 O ILE A 32 -2.594 7.788 -6.065 1.00 0.00 O ATOM 545 CB ILE A 32 -0.272 7.163 -4.218 1.00 0.00 C ATOM 546 CG1 ILE A 32 0.804 7.837 -3.365 1.00 0.00 C ATOM 547 CG2 ILE A 32 -0.089 5.652 -4.209 1.00 0.00 C ATOM 548 CD1 ILE A 32 0.788 7.402 -1.915 1.00 0.00 C ATOM 0 H ILE A 32 -0.658 9.651 -5.013 1.00 0.00 H new ATOM 0 HA ILE A 32 0.630 7.273 -6.169 1.00 0.00 H new ATOM 0 HB ILE A 32 -1.247 7.395 -3.790 1.00 0.00 H new ATOM 0 HG12 ILE A 32 1.783 7.618 -3.791 1.00 0.00 H new ATOM 0 HG13 ILE A 32 0.670 8.918 -3.413 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -0.119 5.288 -3.182 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -0.889 5.185 -4.783 1.00 0.00 H new ATOM 0 HG23 ILE A 32 0.873 5.399 -4.655 1.00 0.00 H new ATOM 0 HD11 ILE A 32 1.578 7.920 -1.371 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -0.178 7.646 -1.473 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.953 6.326 -1.856 1.00 0.00 H new ATOM 560 N LEU A 33 -1.382 6.410 -7.363 1.00 0.00 N ATOM 561 CA LEU A 33 -2.532 5.954 -8.135 1.00 0.00 C ATOM 562 C LEU A 33 -2.908 4.520 -7.778 1.00 0.00 C ATOM 563 O LEU A 33 -2.041 3.676 -7.555 1.00 0.00 O ATOM 564 CB LEU A 33 -2.238 6.059 -9.632 1.00 0.00 C ATOM 565 CG LEU A 33 -1.864 7.459 -10.121 1.00 0.00 C ATOM 566 CD1 LEU A 33 -0.874 7.377 -11.272 1.00 0.00 C ATOM 567 CD2 LEU A 33 -3.111 8.226 -10.540 1.00 0.00 C ATOM 0 H LEU A 33 -0.494 5.993 -7.641 1.00 0.00 H new ATOM 0 HA LEU A 33 -3.377 6.597 -7.887 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -1.424 5.376 -9.876 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -3.115 5.720 -10.184 1.00 0.00 H new ATOM 0 HG LEU A 33 -1.389 7.996 -9.300 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.620 8.383 -11.606 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.030 6.866 -10.939 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -1.321 6.823 -12.097 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -2.828 9.220 -10.885 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -3.613 7.691 -11.346 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -3.786 8.316 -9.689 1.00 0.00 H new ATOM 579 N PHE A 34 -4.210 4.255 -7.732 1.00 0.00 N ATOM 580 CA PHE A 34 -4.711 2.924 -7.408 1.00 0.00 C ATOM 581 C PHE A 34 -5.758 2.485 -8.424 1.00 0.00 C ATOM 582 O PHE A 34 -6.763 3.165 -8.631 1.00 0.00 O ATOM 583 CB PHE A 34 -5.308 2.907 -6.004 1.00 0.00 C ATOM 584 CG PHE A 34 -4.990 1.660 -5.228 1.00 0.00 C ATOM 585 CD1 PHE A 34 -5.745 0.512 -5.399 1.00 0.00 C ATOM 586 CD2 PHE A 34 -3.936 1.638 -4.330 1.00 0.00 C ATOM 587 CE1 PHE A 34 -5.456 -0.637 -4.686 1.00 0.00 C ATOM 588 CE2 PHE A 34 -3.642 0.494 -3.614 1.00 0.00 C ATOM 589 CZ PHE A 34 -4.401 -0.646 -3.793 1.00 0.00 C ATOM 0 H PHE A 34 -4.938 4.946 -7.915 1.00 0.00 H new ATOM 0 HA PHE A 34 -3.874 2.226 -7.444 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -4.940 3.772 -5.452 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -6.390 3.013 -6.078 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -6.569 0.514 -6.097 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -3.337 2.525 -4.188 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -6.053 -1.526 -4.827 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -2.819 0.491 -2.915 1.00 0.00 H new ATOM 0 HZ PHE A 34 -4.171 -1.542 -3.236 1.00 0.00 H new ATOM 599 N TYR A 35 -5.512 1.344 -9.051 1.00 0.00 N ATOM 600 CA TYR A 35 -6.426 0.803 -10.051 1.00 0.00 C ATOM 601 C TYR A 35 -6.828 -0.628 -9.707 1.00 0.00 C ATOM 602 O TYR A 35 -6.335 -1.206 -8.739 1.00 0.00 O ATOM 603 CB TYR A 35 -5.780 0.836 -11.438 1.00 0.00 C ATOM 604 CG TYR A 35 -5.526 2.232 -11.960 1.00 0.00 C ATOM 605 CD1 TYR A 35 -4.351 2.906 -11.651 1.00 0.00 C ATOM 606 CD2 TYR A 35 -6.459 2.875 -12.762 1.00 0.00 C ATOM 607 CE1 TYR A 35 -4.113 4.181 -12.128 1.00 0.00 C ATOM 608 CE2 TYR A 35 -6.230 4.150 -13.243 1.00 0.00 C ATOM 609 CZ TYR A 35 -5.055 4.798 -12.923 1.00 0.00 C ATOM 610 OH TYR A 35 -4.822 6.067 -13.401 1.00 0.00 O ATOM 0 H TYR A 35 -4.684 0.772 -8.885 1.00 0.00 H new ATOM 0 HA TYR A 35 -7.321 1.425 -10.056 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -4.835 0.294 -11.401 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -6.423 0.307 -12.141 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -3.611 2.426 -11.028 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -7.380 2.370 -13.014 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -3.194 4.691 -11.879 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -6.966 4.636 -13.866 1.00 0.00 H new ATOM 0 HH TYR A 35 -5.584 6.356 -13.946 1.00 0.00 H new ATOM 620 N ASP A 36 -7.725 -1.190 -10.510 1.00 0.00 N ATOM 621 CA ASP A 36 -8.193 -2.555 -10.297 1.00 0.00 C ATOM 622 C ASP A 36 -7.742 -3.471 -11.433 1.00 0.00 C ATOM 623 O ASP A 36 -7.656 -4.688 -11.262 1.00 0.00 O ATOM 624 CB ASP A 36 -9.718 -2.581 -10.183 1.00 0.00 C ATOM 625 CG ASP A 36 -10.396 -1.870 -11.338 1.00 0.00 C ATOM 626 OD1 ASP A 36 -10.366 -2.407 -12.465 1.00 0.00 O ATOM 627 OD2 ASP A 36 -10.956 -0.777 -11.117 1.00 0.00 O ATOM 0 H ASP A 36 -8.143 -0.722 -11.314 1.00 0.00 H new ATOM 0 HA ASP A 36 -7.758 -2.919 -9.366 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -10.059 -3.616 -10.146 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -10.018 -2.113 -9.245 1.00 0.00 H new ATOM 632 N SER A 37 -7.453 -2.881 -12.588 1.00 0.00 N ATOM 633 CA SER A 37 -7.010 -3.644 -13.748 1.00 0.00 C ATOM 634 C SER A 37 -6.321 -2.738 -14.763 1.00 0.00 C ATOM 635 O SER A 37 -6.224 -1.527 -14.562 1.00 0.00 O ATOM 636 CB SER A 37 -8.200 -4.348 -14.402 1.00 0.00 C ATOM 637 OG SER A 37 -8.921 -5.119 -13.455 1.00 0.00 O ATOM 0 H SER A 37 -7.518 -1.875 -12.745 1.00 0.00 H new ATOM 0 HA SER A 37 -6.293 -4.392 -13.410 1.00 0.00 H new ATOM 0 HB2 SER A 37 -8.862 -3.608 -14.852 1.00 0.00 H new ATOM 0 HB3 SER A 37 -7.847 -4.992 -15.207 1.00 0.00 H new ATOM 0 HG SER A 37 -8.346 -5.312 -12.685 1.00 0.00 H new ATOM 643 N GLU A 38 -5.846 -3.331 -15.853 1.00 0.00 N ATOM 644 CA GLU A 38 -5.165 -2.575 -16.899 1.00 0.00 C ATOM 645 C GLU A 38 -6.168 -1.822 -17.766 1.00 0.00 C ATOM 646 O GLU A 38 -5.876 -0.738 -18.271 1.00 0.00 O ATOM 647 CB GLU A 38 -4.323 -3.512 -17.769 1.00 0.00 C ATOM 648 CG GLU A 38 -3.438 -2.783 -18.767 1.00 0.00 C ATOM 649 CD GLU A 38 -2.641 -3.732 -19.640 1.00 0.00 C ATOM 650 OE1 GLU A 38 -1.871 -4.544 -19.086 1.00 0.00 O ATOM 651 OE2 GLU A 38 -2.787 -3.662 -20.879 1.00 0.00 O ATOM 0 H GLU A 38 -5.920 -4.332 -16.036 1.00 0.00 H new ATOM 0 HA GLU A 38 -4.509 -1.849 -16.419 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -3.697 -4.129 -17.124 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -4.987 -4.187 -18.310 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -4.057 -2.147 -19.399 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -2.753 -2.128 -18.229 1.00 0.00 H new ATOM 658 N GLN A 39 -7.350 -2.404 -17.937 1.00 0.00 N ATOM 659 CA GLN A 39 -8.398 -1.789 -18.744 1.00 0.00 C ATOM 660 C GLN A 39 -8.793 -0.429 -18.179 1.00 0.00 C ATOM 661 O GLN A 39 -8.808 0.572 -18.896 1.00 0.00 O ATOM 662 CB GLN A 39 -9.623 -2.702 -18.811 1.00 0.00 C ATOM 663 CG GLN A 39 -9.458 -3.872 -19.766 1.00 0.00 C ATOM 664 CD GLN A 39 -9.825 -5.200 -19.131 1.00 0.00 C ATOM 665 OE1 GLN A 39 -10.986 -5.609 -19.145 1.00 0.00 O ATOM 666 NE2 GLN A 39 -8.833 -5.882 -18.570 1.00 0.00 N ATOM 0 H GLN A 39 -7.607 -3.302 -17.527 1.00 0.00 H new ATOM 0 HA GLN A 39 -8.007 -1.644 -19.751 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -9.835 -3.086 -17.813 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -10.488 -2.114 -19.117 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -10.082 -3.709 -20.645 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -8.425 -3.912 -20.111 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -7.885 -5.506 -18.581 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -9.019 -6.782 -18.128 1.00 0.00 H new ATOM 675 N ASP A 40 -9.116 -0.399 -16.890 1.00 0.00 N ATOM 676 CA ASP A 40 -9.512 0.841 -16.230 1.00 0.00 C ATOM 677 C ASP A 40 -8.374 1.855 -16.248 1.00 0.00 C ATOM 678 O ASP A 40 -8.606 3.063 -16.289 1.00 0.00 O ATOM 679 CB ASP A 40 -9.940 0.562 -14.790 1.00 0.00 C ATOM 680 CG ASP A 40 -11.365 0.054 -14.698 1.00 0.00 C ATOM 681 OD1 ASP A 40 -11.730 -0.838 -15.491 1.00 0.00 O ATOM 682 OD2 ASP A 40 -12.117 0.550 -13.832 1.00 0.00 O ATOM 0 H ASP A 40 -9.111 -1.218 -16.282 1.00 0.00 H new ATOM 0 HA ASP A 40 -10.356 1.261 -16.777 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -9.266 -0.173 -14.350 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -9.844 1.475 -14.202 1.00 0.00 H new ATOM 687 N LYS A 41 -7.141 1.356 -16.220 1.00 0.00 N ATOM 688 CA LYS A 41 -5.968 2.220 -16.234 1.00 0.00 C ATOM 689 C LYS A 41 -5.915 3.047 -17.514 1.00 0.00 C ATOM 690 O LYS A 41 -5.737 4.266 -17.471 1.00 0.00 O ATOM 691 CB LYS A 41 -4.693 1.385 -16.097 1.00 0.00 C ATOM 692 CG LYS A 41 -3.622 2.043 -15.242 1.00 0.00 C ATOM 693 CD LYS A 41 -2.874 3.120 -16.015 1.00 0.00 C ATOM 694 CE LYS A 41 -1.475 2.662 -16.396 1.00 0.00 C ATOM 695 NZ LYS A 41 -0.527 3.806 -16.507 1.00 0.00 N ATOM 0 H LYS A 41 -6.930 0.359 -16.188 1.00 0.00 H new ATOM 0 HA LYS A 41 -6.040 2.902 -15.387 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -4.947 0.417 -15.664 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -4.286 1.193 -17.090 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -4.081 2.482 -14.356 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -2.917 1.287 -14.895 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -3.432 3.377 -16.916 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -2.810 4.025 -15.411 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -1.108 1.957 -15.650 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -1.514 2.129 -17.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 0.415 3.452 -16.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -0.863 4.466 -17.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -0.470 4.300 -15.593 1.00 0.00 H new ATOM 709 N GLU A 42 -6.071 2.378 -18.652 1.00 0.00 N ATOM 710 CA GLU A 42 -6.042 3.052 -19.945 1.00 0.00 C ATOM 711 C GLU A 42 -7.255 3.965 -20.115 1.00 0.00 C ATOM 712 O GLU A 42 -7.220 4.920 -20.891 1.00 0.00 O ATOM 713 CB GLU A 42 -6.001 2.025 -21.079 1.00 0.00 C ATOM 714 CG GLU A 42 -7.121 1.002 -21.014 1.00 0.00 C ATOM 715 CD GLU A 42 -7.192 0.135 -22.256 1.00 0.00 C ATOM 716 OE1 GLU A 42 -6.276 -0.689 -22.458 1.00 0.00 O ATOM 717 OE2 GLU A 42 -8.164 0.282 -23.027 1.00 0.00 O ATOM 0 H GLU A 42 -6.219 1.370 -18.705 1.00 0.00 H new ATOM 0 HA GLU A 42 -5.141 3.665 -19.984 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -6.053 2.548 -22.034 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -5.043 1.505 -21.052 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -6.978 0.367 -20.140 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -8.072 1.518 -20.881 1.00 0.00 H new ATOM 724 N GLN A 43 -8.326 3.666 -19.387 1.00 0.00 N ATOM 725 CA GLN A 43 -9.548 4.460 -19.460 1.00 0.00 C ATOM 726 C GLN A 43 -9.421 5.754 -18.655 1.00 0.00 C ATOM 727 O GLN A 43 -10.339 6.576 -18.643 1.00 0.00 O ATOM 728 CB GLN A 43 -10.740 3.644 -18.953 1.00 0.00 C ATOM 729 CG GLN A 43 -11.600 3.069 -20.065 1.00 0.00 C ATOM 730 CD GLN A 43 -12.968 3.719 -20.139 1.00 0.00 C ATOM 731 OE1 GLN A 43 -13.990 3.069 -19.917 1.00 0.00 O ATOM 732 NE2 GLN A 43 -12.995 5.010 -20.451 1.00 0.00 N ATOM 0 H GLN A 43 -8.373 2.879 -18.739 1.00 0.00 H new ATOM 0 HA GLN A 43 -9.711 4.726 -20.504 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -10.373 2.828 -18.330 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -11.359 4.277 -18.317 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -11.088 3.198 -21.019 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -11.719 1.997 -19.910 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -12.124 5.510 -20.627 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -13.887 5.501 -20.514 1.00 0.00 H new ATOM 741 N SER A 44 -8.286 5.933 -17.982 1.00 0.00 N ATOM 742 CA SER A 44 -8.054 7.129 -17.179 1.00 0.00 C ATOM 743 C SER A 44 -9.050 7.215 -16.027 1.00 0.00 C ATOM 744 O SER A 44 -9.487 8.302 -15.651 1.00 0.00 O ATOM 745 CB SER A 44 -8.150 8.384 -18.050 1.00 0.00 C ATOM 746 OG SER A 44 -6.881 8.749 -18.561 1.00 0.00 O ATOM 0 H SER A 44 -7.515 5.266 -17.978 1.00 0.00 H new ATOM 0 HA SER A 44 -7.049 7.064 -16.761 1.00 0.00 H new ATOM 0 HB2 SER A 44 -8.840 8.206 -18.875 1.00 0.00 H new ATOM 0 HB3 SER A 44 -8.560 9.207 -17.464 1.00 0.00 H new ATOM 0 HG SER A 44 -6.970 9.552 -19.115 1.00 0.00 H new ATOM 752 N ASN A 45 -9.405 6.062 -15.472 1.00 0.00 N ATOM 753 CA ASN A 45 -10.348 6.005 -14.361 1.00 0.00 C ATOM 754 C ASN A 45 -9.701 5.367 -13.134 1.00 0.00 C ATOM 755 O ASN A 45 -9.856 4.171 -12.889 1.00 0.00 O ATOM 756 CB ASN A 45 -11.599 5.219 -14.768 1.00 0.00 C ATOM 757 CG ASN A 45 -12.877 5.986 -14.492 1.00 0.00 C ATOM 758 OD1 ASN A 45 -13.575 5.720 -13.515 1.00 0.00 O ATOM 759 ND2 ASN A 45 -13.191 6.944 -15.357 1.00 0.00 N ATOM 0 H ASN A 45 -9.054 5.153 -15.773 1.00 0.00 H new ATOM 0 HA ASN A 45 -10.638 7.024 -14.105 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -11.545 4.979 -15.830 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -11.622 4.273 -14.228 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -14.040 7.493 -15.224 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -12.583 7.131 -16.154 1.00 0.00 H new ATOM 766 N PRO A 46 -8.962 6.163 -12.342 1.00 0.00 N ATOM 767 CA PRO A 46 -8.288 5.671 -11.136 1.00 0.00 C ATOM 768 C PRO A 46 -9.269 5.340 -10.017 1.00 0.00 C ATOM 769 O PRO A 46 -10.082 6.176 -9.622 1.00 0.00 O ATOM 770 CB PRO A 46 -7.388 6.839 -10.730 1.00 0.00 C ATOM 771 CG PRO A 46 -8.061 8.046 -11.284 1.00 0.00 C ATOM 772 CD PRO A 46 -8.723 7.602 -12.561 1.00 0.00 C ATOM 0 HA PRO A 46 -7.747 4.743 -11.322 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -7.288 6.904 -9.647 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -6.383 6.724 -11.136 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -8.794 8.441 -10.581 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -7.341 8.842 -11.474 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -9.654 8.141 -12.739 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -8.083 7.776 -13.426 1.00 0.00 H new ATOM 780 N TYR A 47 -9.186 4.115 -9.509 1.00 0.00 N ATOM 781 CA TYR A 47 -10.065 3.673 -8.432 1.00 0.00 C ATOM 782 C TYR A 47 -9.900 4.559 -7.202 1.00 0.00 C ATOM 783 O TYR A 47 -10.872 4.866 -6.511 1.00 0.00 O ATOM 784 CB TYR A 47 -9.769 2.216 -8.072 1.00 0.00 C ATOM 785 CG TYR A 47 -10.677 1.661 -6.996 1.00 0.00 C ATOM 786 CD1 TYR A 47 -10.541 2.057 -5.672 1.00 0.00 C ATOM 787 CD2 TYR A 47 -11.671 0.741 -7.307 1.00 0.00 C ATOM 788 CE1 TYR A 47 -11.368 1.553 -4.687 1.00 0.00 C ATOM 789 CE2 TYR A 47 -12.503 0.233 -6.327 1.00 0.00 C ATOM 790 CZ TYR A 47 -12.346 0.641 -5.019 1.00 0.00 C ATOM 791 OH TYR A 47 -13.172 0.136 -4.041 1.00 0.00 O ATOM 0 H TYR A 47 -8.519 3.411 -9.825 1.00 0.00 H new ATOM 0 HA TYR A 47 -11.096 3.751 -8.778 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -9.864 1.603 -8.968 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -8.734 2.136 -7.739 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -9.775 2.771 -5.408 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -11.795 0.418 -8.330 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -11.249 1.872 -3.662 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -13.272 -0.480 -6.584 1.00 0.00 H new ATOM 0 HH TYR A 47 -13.807 -0.494 -4.442 1.00 0.00 H new ATOM 801 N MET A 48 -8.664 4.968 -6.936 1.00 0.00 N ATOM 802 CA MET A 48 -8.373 5.821 -5.790 1.00 0.00 C ATOM 803 C MET A 48 -6.931 6.316 -5.832 1.00 0.00 C ATOM 804 O MET A 48 -6.014 5.558 -6.151 1.00 0.00 O ATOM 805 CB MET A 48 -8.625 5.061 -4.486 1.00 0.00 C ATOM 806 CG MET A 48 -8.578 5.943 -3.249 1.00 0.00 C ATOM 807 SD MET A 48 -8.303 5.004 -1.735 1.00 0.00 S ATOM 808 CE MET A 48 -6.636 4.408 -2.003 1.00 0.00 C ATOM 0 H MET A 48 -7.849 4.723 -7.498 1.00 0.00 H new ATOM 0 HA MET A 48 -9.036 6.685 -5.834 1.00 0.00 H new ATOM 0 HB2 MET A 48 -9.600 4.577 -4.540 1.00 0.00 H new ATOM 0 HB3 MET A 48 -7.882 4.270 -4.387 1.00 0.00 H new ATOM 0 HG2 MET A 48 -7.784 6.680 -3.364 1.00 0.00 H new ATOM 0 HG3 MET A 48 -9.515 6.494 -3.165 1.00 0.00 H new ATOM 0 HE1 MET A 48 -6.642 3.319 -2.050 1.00 0.00 H new ATOM 0 HE2 MET A 48 -6.252 4.809 -2.941 1.00 0.00 H new ATOM 0 HE3 MET A 48 -5.997 4.732 -1.181 1.00 0.00 H new ATOM 818 N VAL A 49 -6.734 7.591 -5.510 1.00 0.00 N ATOM 819 CA VAL A 49 -5.404 8.181 -5.513 1.00 0.00 C ATOM 820 C VAL A 49 -5.088 8.838 -4.174 1.00 0.00 C ATOM 821 O VAL A 49 -5.945 9.480 -3.568 1.00 0.00 O ATOM 822 CB VAL A 49 -5.250 9.233 -6.628 1.00 0.00 C ATOM 823 CG1 VAL A 49 -4.979 8.560 -7.965 1.00 0.00 C ATOM 824 CG2 VAL A 49 -6.482 10.122 -6.706 1.00 0.00 C ATOM 0 H VAL A 49 -7.480 8.234 -5.244 1.00 0.00 H new ATOM 0 HA VAL A 49 -4.705 7.365 -5.693 1.00 0.00 H new ATOM 0 HB VAL A 49 -4.395 9.865 -6.387 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -4.873 9.319 -8.740 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -4.060 7.978 -7.900 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -5.810 7.900 -8.215 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -6.351 10.857 -7.500 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -7.359 9.511 -6.919 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -6.620 10.636 -5.755 1.00 0.00 H new ATOM 834 N LEU A 50 -3.851 8.675 -3.721 1.00 0.00 N ATOM 835 CA LEU A 50 -3.417 9.256 -2.455 1.00 0.00 C ATOM 836 C LEU A 50 -2.318 10.288 -2.686 1.00 0.00 C ATOM 837 O LEU A 50 -1.548 10.186 -3.638 1.00 0.00 O ATOM 838 CB LEU A 50 -2.913 8.162 -1.512 1.00 0.00 C ATOM 839 CG LEU A 50 -3.744 6.875 -1.511 1.00 0.00 C ATOM 840 CD1 LEU A 50 -2.962 5.733 -2.141 1.00 0.00 C ATOM 841 CD2 LEU A 50 -4.169 6.513 -0.094 1.00 0.00 C ATOM 0 H LEU A 50 -3.130 8.145 -4.211 1.00 0.00 H new ATOM 0 HA LEU A 50 -4.273 9.752 -1.997 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -1.887 7.914 -1.783 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -2.887 8.561 -0.498 1.00 0.00 H new ATOM 0 HG LEU A 50 -4.641 7.046 -2.106 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.569 4.828 -2.131 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -2.709 5.989 -3.170 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -2.047 5.563 -1.574 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -4.758 5.596 -0.114 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -3.284 6.362 0.524 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -4.770 7.321 0.323 1.00 0.00 H new ATOM 853 N ASP A 51 -2.253 11.282 -1.809 1.00 0.00 N ATOM 854 CA ASP A 51 -1.248 12.332 -1.921 1.00 0.00 C ATOM 855 C ASP A 51 0.031 11.940 -1.189 1.00 0.00 C ATOM 856 O ASP A 51 0.031 11.765 0.030 1.00 0.00 O ATOM 857 CB ASP A 51 -1.789 13.647 -1.356 1.00 0.00 C ATOM 858 CG ASP A 51 -2.756 14.329 -2.304 1.00 0.00 C ATOM 859 OD1 ASP A 51 -3.890 13.826 -2.457 1.00 0.00 O ATOM 860 OD2 ASP A 51 -2.382 15.366 -2.891 1.00 0.00 O ATOM 0 H ASP A 51 -2.883 11.383 -1.013 1.00 0.00 H new ATOM 0 HA ASP A 51 -1.015 12.466 -2.977 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -2.290 13.453 -0.408 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -0.957 14.318 -1.145 1.00 0.00 H new ATOM 865 N ILE A 52 1.122 11.808 -1.939 1.00 0.00 N ATOM 866 CA ILE A 52 2.408 11.440 -1.359 1.00 0.00 C ATOM 867 C ILE A 52 2.803 12.410 -0.249 1.00 0.00 C ATOM 868 O ILE A 52 3.380 12.012 0.763 1.00 0.00 O ATOM 869 CB ILE A 52 3.519 11.407 -2.428 1.00 0.00 C ATOM 870 CG1 ILE A 52 3.152 10.422 -3.541 1.00 0.00 C ATOM 871 CG2 ILE A 52 4.858 11.037 -1.801 1.00 0.00 C ATOM 872 CD1 ILE A 52 4.245 10.233 -4.573 1.00 0.00 C ATOM 0 H ILE A 52 1.140 11.951 -2.949 1.00 0.00 H new ATOM 0 HA ILE A 52 2.296 10.440 -0.939 1.00 0.00 H new ATOM 0 HB ILE A 52 3.613 12.402 -2.863 1.00 0.00 H new ATOM 0 HG12 ILE A 52 2.915 9.456 -3.095 1.00 0.00 H new ATOM 0 HG13 ILE A 52 2.249 10.773 -4.041 1.00 0.00 H new ATOM 0 HG21 ILE A 52 5.628 11.019 -2.572 1.00 0.00 H new ATOM 0 HG22 ILE A 52 5.121 11.774 -1.042 1.00 0.00 H new ATOM 0 HG23 ILE A 52 4.784 10.052 -1.339 1.00 0.00 H new ATOM 0 HD11 ILE A 52 3.912 9.522 -5.329 1.00 0.00 H new ATOM 0 HD12 ILE A 52 4.467 11.189 -5.047 1.00 0.00 H new ATOM 0 HD13 ILE A 52 5.143 9.852 -4.086 1.00 0.00 H new ATOM 884 N ASP A 53 2.485 13.684 -0.448 1.00 0.00 N ATOM 885 CA ASP A 53 2.801 14.714 0.535 1.00 0.00 C ATOM 886 C ASP A 53 1.975 14.525 1.804 1.00 0.00 C ATOM 887 O ASP A 53 2.409 14.885 2.898 1.00 0.00 O ATOM 888 CB ASP A 53 2.548 16.102 -0.054 1.00 0.00 C ATOM 889 CG ASP A 53 2.885 17.218 0.916 1.00 0.00 C ATOM 890 OD1 ASP A 53 2.022 17.560 1.751 1.00 0.00 O ATOM 891 OD2 ASP A 53 4.014 17.749 0.840 1.00 0.00 O ATOM 0 H ASP A 53 2.008 14.029 -1.281 1.00 0.00 H new ATOM 0 HA ASP A 53 3.856 14.625 0.795 1.00 0.00 H new ATOM 0 HB2 ASP A 53 3.142 16.222 -0.960 1.00 0.00 H new ATOM 0 HB3 ASP A 53 1.501 16.183 -0.346 1.00 0.00 H new ATOM 896 N LYS A 54 0.783 13.957 1.649 1.00 0.00 N ATOM 897 CA LYS A 54 -0.104 13.719 2.782 1.00 0.00 C ATOM 898 C LYS A 54 0.432 12.601 3.673 1.00 0.00 C ATOM 899 O LYS A 54 0.104 12.532 4.857 1.00 0.00 O ATOM 900 CB LYS A 54 -1.509 13.365 2.291 1.00 0.00 C ATOM 901 CG LYS A 54 -2.399 14.577 2.070 1.00 0.00 C ATOM 902 CD LYS A 54 -3.848 14.275 2.415 1.00 0.00 C ATOM 903 CE LYS A 54 -4.807 15.038 1.516 1.00 0.00 C ATOM 904 NZ LYS A 54 -6.017 15.495 2.255 1.00 0.00 N ATOM 0 H LYS A 54 0.409 13.653 0.750 1.00 0.00 H new ATOM 0 HA LYS A 54 -0.151 14.635 3.371 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -1.429 12.808 1.357 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -1.983 12.704 3.017 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -2.044 15.407 2.681 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -2.330 14.895 1.030 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -4.030 13.205 2.318 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -4.037 14.537 3.456 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -4.295 15.900 1.089 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -5.109 14.402 0.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -6.645 16.011 1.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -6.520 14.671 2.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -5.732 16.123 3.033 1.00 0.00 H new ATOM 918 N LEU A 55 1.255 11.727 3.098 1.00 0.00 N ATOM 919 CA LEU A 55 1.831 10.615 3.847 1.00 0.00 C ATOM 920 C LEU A 55 2.530 11.109 5.109 1.00 0.00 C ATOM 921 O LEU A 55 3.337 12.037 5.060 1.00 0.00 O ATOM 922 CB LEU A 55 2.822 9.839 2.976 1.00 0.00 C ATOM 923 CG LEU A 55 2.264 9.316 1.651 1.00 0.00 C ATOM 924 CD1 LEU A 55 3.256 8.371 0.993 1.00 0.00 C ATOM 925 CD2 LEU A 55 0.929 8.619 1.867 1.00 0.00 C ATOM 0 H LEU A 55 1.537 11.768 2.119 1.00 0.00 H new ATOM 0 HA LEU A 55 1.017 9.952 4.139 1.00 0.00 H new ATOM 0 HB2 LEU A 55 3.674 10.484 2.762 1.00 0.00 H new ATOM 0 HB3 LEU A 55 3.199 8.993 3.551 1.00 0.00 H new ATOM 0 HG LEU A 55 2.103 10.166 0.988 1.00 0.00 H new ATOM 0 HD11 LEU A 55 2.843 8.008 0.052 1.00 0.00 H new ATOM 0 HD12 LEU A 55 4.189 8.900 0.800 1.00 0.00 H new ATOM 0 HD13 LEU A 55 3.448 7.526 1.655 1.00 0.00 H new ATOM 0 HD21 LEU A 55 0.550 8.255 0.912 1.00 0.00 H new ATOM 0 HD22 LEU A 55 1.063 7.779 2.548 1.00 0.00 H new ATOM 0 HD23 LEU A 55 0.216 9.323 2.296 1.00 0.00 H new ATOM 937 N PHE A 56 2.216 10.481 6.236 1.00 0.00 N ATOM 938 CA PHE A 56 2.817 10.856 7.510 1.00 0.00 C ATOM 939 C PHE A 56 4.041 10.000 7.804 1.00 0.00 C ATOM 940 O PHE A 56 5.007 10.467 8.408 1.00 0.00 O ATOM 941 CB PHE A 56 1.796 10.715 8.640 1.00 0.00 C ATOM 942 CG PHE A 56 0.898 11.909 8.787 1.00 0.00 C ATOM 943 CD1 PHE A 56 1.423 13.192 8.779 1.00 0.00 C ATOM 944 CD2 PHE A 56 -0.470 11.749 8.932 1.00 0.00 C ATOM 945 CE1 PHE A 56 0.599 14.292 8.914 1.00 0.00 C ATOM 946 CE2 PHE A 56 -1.299 12.845 9.066 1.00 0.00 C ATOM 947 CZ PHE A 56 -0.763 14.120 9.056 1.00 0.00 C ATOM 0 H PHE A 56 1.550 9.711 6.294 1.00 0.00 H new ATOM 0 HA PHE A 56 3.132 11.897 7.444 1.00 0.00 H new ATOM 0 HB2 PHE A 56 1.185 9.831 8.459 1.00 0.00 H new ATOM 0 HB3 PHE A 56 2.325 10.550 9.579 1.00 0.00 H new ATOM 0 HD1 PHE A 56 2.488 13.333 8.666 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -0.893 10.755 8.940 1.00 0.00 H new ATOM 0 HE1 PHE A 56 1.020 15.286 8.908 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -2.364 12.707 9.178 1.00 0.00 H new ATOM 0 HZ PHE A 56 -1.409 14.979 9.159 1.00 0.00 H new ATOM 957 N HIS A 57 3.997 8.744 7.372 1.00 0.00 N ATOM 958 CA HIS A 57 5.107 7.823 7.591 1.00 0.00 C ATOM 959 C HIS A 57 4.800 6.444 7.013 1.00 0.00 C ATOM 960 O HIS A 57 3.692 5.929 7.158 1.00 0.00 O ATOM 961 CB HIS A 57 5.415 7.706 9.087 1.00 0.00 C ATOM 962 CG HIS A 57 6.760 8.244 9.462 1.00 0.00 C ATOM 963 ND1 HIS A 57 6.938 9.466 10.074 1.00 0.00 N ATOM 964 CD2 HIS A 57 7.999 7.718 9.311 1.00 0.00 C ATOM 965 CE1 HIS A 57 8.226 9.670 10.281 1.00 0.00 C ATOM 966 NE2 HIS A 57 8.891 8.623 9.827 1.00 0.00 N ATOM 0 H HIS A 57 3.206 8.341 6.869 1.00 0.00 H new ATOM 0 HA HIS A 57 5.981 8.223 7.077 1.00 0.00 H new ATOM 0 HB2 HIS A 57 4.649 8.239 9.651 1.00 0.00 H new ATOM 0 HB3 HIS A 57 5.356 6.658 9.381 1.00 0.00 H new ATOM 0 HD1 HIS A 57 6.191 10.112 10.328 1.00 0.00 H new ATOM 0 HD2 HIS A 57 8.240 6.763 8.867 1.00 0.00 H new ATOM 0 HE1 HIS A 57 8.661 10.544 10.743 1.00 0.00 H new ATOM 975 N VAL A 58 5.795 5.852 6.361 1.00 0.00 N ATOM 976 CA VAL A 58 5.646 4.532 5.764 1.00 0.00 C ATOM 977 C VAL A 58 6.595 3.536 6.422 1.00 0.00 C ATOM 978 O VAL A 58 7.798 3.776 6.508 1.00 0.00 O ATOM 979 CB VAL A 58 5.921 4.565 4.248 1.00 0.00 C ATOM 980 CG1 VAL A 58 5.610 3.216 3.617 1.00 0.00 C ATOM 981 CG2 VAL A 58 5.115 5.673 3.585 1.00 0.00 C ATOM 0 H VAL A 58 6.717 6.269 6.233 1.00 0.00 H new ATOM 0 HA VAL A 58 4.615 4.218 5.927 1.00 0.00 H new ATOM 0 HB VAL A 58 6.980 4.774 4.093 1.00 0.00 H new ATOM 0 HG11 VAL A 58 5.811 3.260 2.547 1.00 0.00 H new ATOM 0 HG12 VAL A 58 6.236 2.448 4.072 1.00 0.00 H new ATOM 0 HG13 VAL A 58 4.560 2.972 3.780 1.00 0.00 H new ATOM 0 HG21 VAL A 58 5.321 5.682 2.515 1.00 0.00 H new ATOM 0 HG22 VAL A 58 4.052 5.497 3.748 1.00 0.00 H new ATOM 0 HG23 VAL A 58 5.394 6.634 4.017 1.00 0.00 H new ATOM 991 N ARG A 59 6.047 2.422 6.897 1.00 0.00 N ATOM 992 CA ARG A 59 6.853 1.400 7.556 1.00 0.00 C ATOM 993 C ARG A 59 6.173 0.035 7.495 1.00 0.00 C ATOM 994 O ARG A 59 4.952 -0.054 7.375 1.00 0.00 O ATOM 995 CB ARG A 59 7.111 1.790 9.013 1.00 0.00 C ATOM 996 CG ARG A 59 5.852 1.834 9.865 1.00 0.00 C ATOM 997 CD ARG A 59 6.124 1.361 11.286 1.00 0.00 C ATOM 998 NE ARG A 59 4.965 1.544 12.156 1.00 0.00 N ATOM 999 CZ ARG A 59 3.920 0.720 12.183 1.00 0.00 C ATOM 1000 NH1 ARG A 59 3.883 -0.342 11.387 1.00 0.00 N ATOM 1001 NH2 ARG A 59 2.909 0.957 13.009 1.00 0.00 N ATOM 0 H ARG A 59 5.052 2.204 6.838 1.00 0.00 H new ATOM 0 HA ARG A 59 7.804 1.330 7.028 1.00 0.00 H new ATOM 0 HB2 ARG A 59 7.812 1.079 9.452 1.00 0.00 H new ATOM 0 HB3 ARG A 59 7.591 2.768 9.039 1.00 0.00 H new ATOM 0 HG2 ARG A 59 5.462 2.852 9.887 1.00 0.00 H new ATOM 0 HG3 ARG A 59 5.083 1.208 9.413 1.00 0.00 H new ATOM 0 HD2 ARG A 59 6.402 0.307 11.270 1.00 0.00 H new ATOM 0 HD3 ARG A 59 6.973 1.909 11.694 1.00 0.00 H new ATOM 0 HE ARG A 59 4.956 2.351 12.780 1.00 0.00 H new ATOM 0 HH11 ARG A 59 4.658 -0.530 10.751 1.00 0.00 H new ATOM 0 HH12 ARG A 59 3.080 -0.970 11.412 1.00 0.00 H new ATOM 0 HH21 ARG A 59 2.932 1.771 13.623 1.00 0.00 H new ATOM 0 HH22 ARG A 59 2.108 0.325 13.029 1.00 0.00 H new ATOM 1015 N PRO A 60 6.961 -1.052 7.578 1.00 0.00 N ATOM 1016 CA PRO A 60 6.430 -2.418 7.533 1.00 0.00 C ATOM 1017 C PRO A 60 5.533 -2.731 8.725 1.00 0.00 C ATOM 1018 O PRO A 60 5.503 -1.986 9.704 1.00 0.00 O ATOM 1019 CB PRO A 60 7.687 -3.296 7.569 1.00 0.00 C ATOM 1020 CG PRO A 60 8.742 -2.432 8.168 1.00 0.00 C ATOM 1021 CD PRO A 60 8.428 -1.033 7.722 1.00 0.00 C ATOM 0 HA PRO A 60 5.806 -2.580 6.654 1.00 0.00 H new ATOM 0 HB2 PRO A 60 7.525 -4.193 8.166 1.00 0.00 H new ATOM 0 HB3 PRO A 60 7.967 -3.626 6.569 1.00 0.00 H new ATOM 0 HG2 PRO A 60 8.737 -2.506 9.255 1.00 0.00 H new ATOM 0 HG3 PRO A 60 9.733 -2.736 7.832 1.00 0.00 H new ATOM 0 HD2 PRO A 60 8.752 -0.294 8.454 1.00 0.00 H new ATOM 0 HD3 PRO A 60 8.923 -0.789 6.782 1.00 0.00 H new ATOM 1029 N VAL A 61 4.806 -3.841 8.637 1.00 0.00 N ATOM 1030 CA VAL A 61 3.910 -4.254 9.709 1.00 0.00 C ATOM 1031 C VAL A 61 4.443 -5.495 10.418 1.00 0.00 C ATOM 1032 O VAL A 61 5.450 -6.072 10.008 1.00 0.00 O ATOM 1033 CB VAL A 61 2.492 -4.543 9.181 1.00 0.00 C ATOM 1034 CG1 VAL A 61 1.881 -3.288 8.575 1.00 0.00 C ATOM 1035 CG2 VAL A 61 2.514 -5.676 8.166 1.00 0.00 C ATOM 0 H VAL A 61 4.821 -4.470 7.834 1.00 0.00 H new ATOM 0 HA VAL A 61 3.859 -3.427 10.417 1.00 0.00 H new ATOM 0 HB VAL A 61 1.872 -4.854 10.021 1.00 0.00 H new ATOM 0 HG11 VAL A 61 0.880 -3.512 8.207 1.00 0.00 H new ATOM 0 HG12 VAL A 61 1.823 -2.508 9.335 1.00 0.00 H new ATOM 0 HG13 VAL A 61 2.502 -2.944 7.748 1.00 0.00 H new ATOM 0 HG21 VAL A 61 1.502 -5.863 7.807 1.00 0.00 H new ATOM 0 HG22 VAL A 61 3.152 -5.400 7.326 1.00 0.00 H new ATOM 0 HG23 VAL A 61 2.904 -6.579 8.637 1.00 0.00 H new ATOM 1045 N THR A 62 3.759 -5.903 11.482 1.00 0.00 N ATOM 1046 CA THR A 62 4.163 -7.077 12.245 1.00 0.00 C ATOM 1047 C THR A 62 3.000 -8.054 12.391 1.00 0.00 C ATOM 1048 O THR A 62 1.916 -7.828 11.853 1.00 0.00 O ATOM 1049 CB THR A 62 4.675 -6.665 13.626 1.00 0.00 C ATOM 1050 OG1 THR A 62 3.689 -5.926 14.327 1.00 0.00 O ATOM 1051 CG2 THR A 62 5.929 -5.821 13.570 1.00 0.00 C ATOM 0 H THR A 62 2.923 -5.438 11.835 1.00 0.00 H new ATOM 0 HA THR A 62 4.968 -7.573 11.703 1.00 0.00 H new ATOM 0 HB THR A 62 4.907 -7.598 14.139 1.00 0.00 H new ATOM 0 HG1 THR A 62 4.035 -5.673 15.208 1.00 0.00 H new ATOM 0 HG21 THR A 62 6.239 -5.563 14.582 1.00 0.00 H new ATOM 0 HG22 THR A 62 6.724 -6.382 13.079 1.00 0.00 H new ATOM 0 HG23 THR A 62 5.729 -4.909 13.008 1.00 0.00 H new ATOM 1059 N GLN A 63 3.231 -9.138 13.123 1.00 0.00 N ATOM 1060 CA GLN A 63 2.201 -10.146 13.340 1.00 0.00 C ATOM 1061 C GLN A 63 0.993 -9.555 14.066 1.00 0.00 C ATOM 1062 O GLN A 63 -0.094 -10.130 14.044 1.00 0.00 O ATOM 1063 CB GLN A 63 2.765 -11.320 14.141 1.00 0.00 C ATOM 1064 CG GLN A 63 1.836 -12.522 14.193 1.00 0.00 C ATOM 1065 CD GLN A 63 2.138 -13.540 13.111 1.00 0.00 C ATOM 1066 OE1 GLN A 63 3.254 -14.052 13.019 1.00 0.00 O ATOM 1067 NE2 GLN A 63 1.143 -13.837 12.284 1.00 0.00 N ATOM 0 H GLN A 63 4.122 -9.341 13.576 1.00 0.00 H new ATOM 0 HA GLN A 63 1.873 -10.503 12.364 1.00 0.00 H new ATOM 0 HB2 GLN A 63 3.716 -11.625 13.703 1.00 0.00 H new ATOM 0 HB3 GLN A 63 2.974 -10.988 15.158 1.00 0.00 H new ATOM 0 HG2 GLN A 63 1.920 -12.999 15.169 1.00 0.00 H new ATOM 0 HG3 GLN A 63 0.805 -12.184 14.091 1.00 0.00 H new ATOM 0 HE21 GLN A 63 0.234 -13.388 12.398 1.00 0.00 H new ATOM 0 HE22 GLN A 63 1.287 -14.514 11.535 1.00 0.00 H new ATOM 1076 N THR A 64 1.191 -8.408 14.709 1.00 0.00 N ATOM 1077 CA THR A 64 0.114 -7.749 15.440 1.00 0.00 C ATOM 1078 C THR A 64 -0.834 -7.024 14.489 1.00 0.00 C ATOM 1079 O THR A 64 -2.010 -6.834 14.798 1.00 0.00 O ATOM 1080 CB THR A 64 0.691 -6.759 16.454 1.00 0.00 C ATOM 1081 OG1 THR A 64 1.443 -5.752 15.800 1.00 0.00 O ATOM 1082 CG2 THR A 64 1.590 -7.412 17.481 1.00 0.00 C ATOM 0 H THR A 64 2.085 -7.917 14.739 1.00 0.00 H new ATOM 0 HA THR A 64 -0.452 -8.516 15.968 1.00 0.00 H new ATOM 0 HB THR A 64 -0.172 -6.335 16.968 1.00 0.00 H new ATOM 0 HG1 THR A 64 2.254 -6.146 15.417 1.00 0.00 H new ATOM 0 HG21 THR A 64 1.966 -6.655 18.169 1.00 0.00 H new ATOM 0 HG22 THR A 64 1.024 -8.159 18.037 1.00 0.00 H new ATOM 0 HG23 THR A 64 2.429 -7.893 16.977 1.00 0.00 H new ATOM 1090 N ASP A 65 -0.316 -6.620 13.333 1.00 0.00 N ATOM 1091 CA ASP A 65 -1.120 -5.913 12.341 1.00 0.00 C ATOM 1092 C ASP A 65 -2.188 -6.827 11.747 1.00 0.00 C ATOM 1093 O ASP A 65 -3.262 -6.371 11.356 1.00 0.00 O ATOM 1094 CB ASP A 65 -0.227 -5.363 11.227 1.00 0.00 C ATOM 1095 CG ASP A 65 -0.798 -4.109 10.594 1.00 0.00 C ATOM 1096 OD1 ASP A 65 -1.764 -4.227 9.810 1.00 0.00 O ATOM 1097 OD2 ASP A 65 -0.278 -3.011 10.878 1.00 0.00 O ATOM 0 H ASP A 65 0.655 -6.770 13.060 1.00 0.00 H new ATOM 0 HA ASP A 65 -1.618 -5.083 12.843 1.00 0.00 H new ATOM 0 HB2 ASP A 65 0.761 -5.145 11.632 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -0.096 -6.126 10.460 1.00 0.00 H new ATOM 1102 N VAL A 66 -1.886 -8.119 11.681 1.00 0.00 N ATOM 1103 CA VAL A 66 -2.818 -9.096 11.133 1.00 0.00 C ATOM 1104 C VAL A 66 -2.949 -10.306 12.050 1.00 0.00 C ATOM 1105 O VAL A 66 -2.360 -10.346 13.129 1.00 0.00 O ATOM 1106 CB VAL A 66 -2.384 -9.573 9.731 1.00 0.00 C ATOM 1107 CG1 VAL A 66 -2.910 -8.631 8.659 1.00 0.00 C ATOM 1108 CG2 VAL A 66 -0.869 -9.696 9.646 1.00 0.00 C ATOM 0 H VAL A 66 -1.002 -8.514 12.001 1.00 0.00 H new ATOM 0 HA VAL A 66 -3.783 -8.596 11.053 1.00 0.00 H new ATOM 0 HB VAL A 66 -2.813 -10.560 9.559 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -2.594 -8.984 7.677 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -3.999 -8.604 8.701 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -2.515 -7.629 8.829 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -0.587 -10.034 8.649 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -0.414 -8.726 9.843 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -0.520 -10.417 10.385 1.00 0.00 H new ATOM 1118 N TYR A 67 -3.728 -11.289 11.613 1.00 0.00 N ATOM 1119 CA TYR A 67 -3.941 -12.504 12.393 1.00 0.00 C ATOM 1120 C TYR A 67 -4.041 -13.718 11.475 1.00 0.00 C ATOM 1121 O TYR A 67 -3.174 -14.591 11.487 1.00 0.00 O ATOM 1122 CB TYR A 67 -5.210 -12.387 13.247 1.00 0.00 C ATOM 1123 CG TYR A 67 -5.877 -11.028 13.181 1.00 0.00 C ATOM 1124 CD1 TYR A 67 -6.811 -10.742 12.194 1.00 0.00 C ATOM 1125 CD2 TYR A 67 -5.569 -10.036 14.102 1.00 0.00 C ATOM 1126 CE1 TYR A 67 -7.420 -9.503 12.127 1.00 0.00 C ATOM 1127 CE2 TYR A 67 -6.175 -8.795 14.043 1.00 0.00 C ATOM 1128 CZ TYR A 67 -7.099 -8.534 13.053 1.00 0.00 C ATOM 1129 OH TYR A 67 -7.703 -7.299 12.991 1.00 0.00 O ATOM 0 H TYR A 67 -4.223 -11.269 10.722 1.00 0.00 H new ATOM 0 HA TYR A 67 -3.086 -12.633 13.057 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -5.923 -13.146 12.925 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -4.958 -12.606 14.285 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -7.066 -11.499 11.467 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -4.844 -10.237 14.877 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -8.144 -9.295 11.353 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -5.926 -8.034 14.768 1.00 0.00 H new ATOM 0 HH TYR A 67 -7.366 -6.733 13.717 1.00 0.00 H new ATOM 1139 N ARG A 68 -5.104 -13.763 10.680 1.00 0.00 N ATOM 1140 CA ARG A 68 -5.317 -14.868 9.751 1.00 0.00 C ATOM 1141 C ARG A 68 -4.145 -14.999 8.779 1.00 0.00 C ATOM 1142 O ARG A 68 -3.908 -16.069 8.220 1.00 0.00 O ATOM 1143 CB ARG A 68 -6.627 -14.669 8.979 1.00 0.00 C ATOM 1144 CG ARG A 68 -6.556 -13.597 7.901 1.00 0.00 C ATOM 1145 CD ARG A 68 -6.429 -12.206 8.501 1.00 0.00 C ATOM 1146 NE ARG A 68 -6.556 -11.159 7.489 1.00 0.00 N ATOM 1147 CZ ARG A 68 -6.702 -9.868 7.774 1.00 0.00 C ATOM 1148 NH1 ARG A 68 -6.739 -9.459 9.036 1.00 0.00 N ATOM 1149 NH2 ARG A 68 -6.810 -8.981 6.794 1.00 0.00 N ATOM 0 H ARG A 68 -5.831 -13.048 10.660 1.00 0.00 H new ATOM 0 HA ARG A 68 -5.384 -15.790 10.329 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -6.912 -15.615 8.518 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -7.416 -14.408 9.684 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -5.704 -13.792 7.249 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -7.450 -13.645 7.280 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -7.196 -12.069 9.263 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -5.464 -12.113 9.000 1.00 0.00 H new ATOM 0 HE ARG A 68 -6.531 -11.434 6.507 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -6.655 -10.136 9.794 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -6.851 -8.468 9.248 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -6.781 -9.289 5.822 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -6.922 -7.991 7.012 1.00 0.00 H new ATOM 1163 N ALA A 69 -3.418 -13.901 8.583 1.00 0.00 N ATOM 1164 CA ALA A 69 -2.273 -13.891 7.681 1.00 0.00 C ATOM 1165 C ALA A 69 -1.254 -14.957 8.070 1.00 0.00 C ATOM 1166 O ALA A 69 -1.532 -15.822 8.901 1.00 0.00 O ATOM 1167 CB ALA A 69 -1.624 -12.515 7.673 1.00 0.00 C ATOM 0 H ALA A 69 -3.603 -13.007 9.038 1.00 0.00 H new ATOM 0 HA ALA A 69 -2.630 -14.121 6.677 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -0.770 -12.519 6.996 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -2.349 -11.773 7.338 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -1.288 -12.265 8.679 1.00 0.00 H new ATOM 1173 N ASP A 70 -0.074 -14.890 7.463 1.00 0.00 N ATOM 1174 CA ASP A 70 0.987 -15.850 7.746 1.00 0.00 C ATOM 1175 C ASP A 70 2.294 -15.134 8.070 1.00 0.00 C ATOM 1176 O ASP A 70 2.604 -14.095 7.488 1.00 0.00 O ATOM 1177 CB ASP A 70 1.187 -16.785 6.552 1.00 0.00 C ATOM 1178 CG ASP A 70 1.592 -18.183 6.977 1.00 0.00 C ATOM 1179 OD1 ASP A 70 2.239 -18.318 8.038 1.00 0.00 O ATOM 1180 OD2 ASP A 70 1.264 -19.143 6.249 1.00 0.00 O ATOM 0 H ASP A 70 0.172 -14.181 6.772 1.00 0.00 H new ATOM 0 HA ASP A 70 0.690 -16.438 8.614 1.00 0.00 H new ATOM 0 HB2 ASP A 70 0.264 -16.836 5.975 1.00 0.00 H new ATOM 0 HB3 ASP A 70 1.952 -16.372 5.894 1.00 0.00 H new ATOM 1185 N ALA A 71 3.056 -15.699 9.003 1.00 0.00 N ATOM 1186 CA ALA A 71 4.332 -15.118 9.410 1.00 0.00 C ATOM 1187 C ALA A 71 5.208 -14.792 8.204 1.00 0.00 C ATOM 1188 O ALA A 71 6.046 -13.892 8.258 1.00 0.00 O ATOM 1189 CB ALA A 71 5.062 -16.064 10.352 1.00 0.00 C ATOM 0 H ALA A 71 2.811 -16.560 9.492 1.00 0.00 H new ATOM 0 HA ALA A 71 4.124 -14.184 9.932 1.00 0.00 H new ATOM 0 HB1 ALA A 71 6.012 -15.620 10.649 1.00 0.00 H new ATOM 0 HB2 ALA A 71 4.451 -16.239 11.237 1.00 0.00 H new ATOM 0 HB3 ALA A 71 5.247 -17.011 9.845 1.00 0.00 H new ATOM 1195 N LYS A 72 5.012 -15.531 7.117 1.00 0.00 N ATOM 1196 CA LYS A 72 5.786 -15.318 5.898 1.00 0.00 C ATOM 1197 C LYS A 72 5.304 -14.075 5.155 1.00 0.00 C ATOM 1198 O LYS A 72 6.088 -13.387 4.504 1.00 0.00 O ATOM 1199 CB LYS A 72 5.686 -16.542 4.986 1.00 0.00 C ATOM 1200 CG LYS A 72 6.674 -17.644 5.337 1.00 0.00 C ATOM 1201 CD LYS A 72 6.544 -18.830 4.393 1.00 0.00 C ATOM 1202 CE LYS A 72 6.596 -20.153 5.142 1.00 0.00 C ATOM 1203 NZ LYS A 72 7.854 -20.900 4.863 1.00 0.00 N ATOM 0 H LYS A 72 4.325 -16.282 7.055 1.00 0.00 H new ATOM 0 HA LYS A 72 6.828 -15.167 6.181 1.00 0.00 H new ATOM 0 HB2 LYS A 72 4.674 -16.943 5.039 1.00 0.00 H new ATOM 0 HB3 LYS A 72 5.852 -16.231 3.955 1.00 0.00 H new ATOM 0 HG2 LYS A 72 7.690 -17.251 5.292 1.00 0.00 H new ATOM 0 HG3 LYS A 72 6.505 -17.973 6.362 1.00 0.00 H new ATOM 0 HD2 LYS A 72 5.604 -18.758 3.846 1.00 0.00 H new ATOM 0 HD3 LYS A 72 7.346 -18.798 3.655 1.00 0.00 H new ATOM 0 HE2 LYS A 72 6.514 -19.967 6.213 1.00 0.00 H new ATOM 0 HE3 LYS A 72 5.740 -20.765 4.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 7.851 -21.795 5.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 7.921 -21.100 3.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 8.671 -20.327 5.157 1.00 0.00 H new ATOM 1217 N GLU A 73 4.007 -13.798 5.256 1.00 0.00 N ATOM 1218 CA GLU A 73 3.419 -12.641 4.590 1.00 0.00 C ATOM 1219 C GLU A 73 3.680 -11.359 5.378 1.00 0.00 C ATOM 1220 O GLU A 73 3.800 -10.279 4.799 1.00 0.00 O ATOM 1221 CB GLU A 73 1.913 -12.843 4.411 1.00 0.00 C ATOM 1222 CG GLU A 73 1.544 -14.215 3.873 1.00 0.00 C ATOM 1223 CD GLU A 73 1.900 -14.383 2.408 1.00 0.00 C ATOM 1224 OE1 GLU A 73 2.900 -13.779 1.968 1.00 0.00 O ATOM 1225 OE2 GLU A 73 1.178 -15.120 1.703 1.00 0.00 O ATOM 0 H GLU A 73 3.344 -14.358 5.792 1.00 0.00 H new ATOM 0 HA GLU A 73 3.888 -12.543 3.611 1.00 0.00 H new ATOM 0 HB2 GLU A 73 1.418 -12.693 5.370 1.00 0.00 H new ATOM 0 HB3 GLU A 73 1.531 -12.081 3.732 1.00 0.00 H new ATOM 0 HG2 GLU A 73 2.056 -14.980 4.457 1.00 0.00 H new ATOM 0 HG3 GLU A 73 0.474 -14.377 4.004 1.00 0.00 H new ATOM 1232 N ILE A 74 3.762 -11.484 6.700 1.00 0.00 N ATOM 1233 CA ILE A 74 4.004 -10.332 7.565 1.00 0.00 C ATOM 1234 C ILE A 74 5.156 -9.467 7.047 1.00 0.00 C ATOM 1235 O ILE A 74 4.996 -8.259 6.871 1.00 0.00 O ATOM 1236 CB ILE A 74 4.305 -10.763 9.017 1.00 0.00 C ATOM 1237 CG1 ILE A 74 3.227 -11.722 9.528 1.00 0.00 C ATOM 1238 CG2 ILE A 74 4.405 -9.544 9.922 1.00 0.00 C ATOM 1239 CD1 ILE A 74 1.815 -11.207 9.346 1.00 0.00 C ATOM 0 H ILE A 74 3.665 -12.370 7.196 1.00 0.00 H new ATOM 0 HA ILE A 74 3.087 -9.742 7.554 1.00 0.00 H new ATOM 0 HB ILE A 74 5.262 -11.284 9.030 1.00 0.00 H new ATOM 0 HG12 ILE A 74 3.326 -12.675 9.008 1.00 0.00 H new ATOM 0 HG13 ILE A 74 3.399 -11.917 10.587 1.00 0.00 H new ATOM 0 HG21 ILE A 74 4.617 -9.864 10.942 1.00 0.00 H new ATOM 0 HG22 ILE A 74 5.207 -8.895 9.571 1.00 0.00 H new ATOM 0 HG23 ILE A 74 3.462 -8.998 9.902 1.00 0.00 H new ATOM 0 HD11 ILE A 74 1.107 -11.941 9.732 1.00 0.00 H new ATOM 0 HD12 ILE A 74 1.697 -10.269 9.889 1.00 0.00 H new ATOM 0 HD13 ILE A 74 1.623 -11.040 8.286 1.00 0.00 H new ATOM 1251 N PRO A 75 6.335 -10.066 6.792 1.00 0.00 N ATOM 1252 CA PRO A 75 7.498 -9.323 6.291 1.00 0.00 C ATOM 1253 C PRO A 75 7.285 -8.790 4.877 1.00 0.00 C ATOM 1254 O PRO A 75 8.023 -7.920 4.415 1.00 0.00 O ATOM 1255 CB PRO A 75 8.623 -10.361 6.305 1.00 0.00 C ATOM 1256 CG PRO A 75 7.930 -11.676 6.228 1.00 0.00 C ATOM 1257 CD PRO A 75 6.632 -11.500 6.966 1.00 0.00 C ATOM 0 HA PRO A 75 7.706 -8.442 6.899 1.00 0.00 H new ATOM 0 HB2 PRO A 75 9.300 -10.221 5.463 1.00 0.00 H new ATOM 0 HB3 PRO A 75 9.222 -10.282 7.212 1.00 0.00 H new ATOM 0 HG2 PRO A 75 7.754 -11.965 5.192 1.00 0.00 H new ATOM 0 HG3 PRO A 75 8.533 -12.463 6.681 1.00 0.00 H new ATOM 0 HD2 PRO A 75 5.844 -12.127 6.549 1.00 0.00 H new ATOM 0 HD3 PRO A 75 6.728 -11.766 8.019 1.00 0.00 H new ATOM 1265 N ARG A 76 6.271 -9.315 4.192 1.00 0.00 N ATOM 1266 CA ARG A 76 5.967 -8.886 2.830 1.00 0.00 C ATOM 1267 C ARG A 76 4.814 -7.882 2.807 1.00 0.00 C ATOM 1268 O ARG A 76 4.300 -7.543 1.741 1.00 0.00 O ATOM 1269 CB ARG A 76 5.614 -10.095 1.962 1.00 0.00 C ATOM 1270 CG ARG A 76 6.630 -11.222 2.045 1.00 0.00 C ATOM 1271 CD ARG A 76 6.624 -12.071 0.783 1.00 0.00 C ATOM 1272 NE ARG A 76 6.036 -13.388 1.011 1.00 0.00 N ATOM 1273 CZ ARG A 76 6.694 -14.414 1.546 1.00 0.00 C ATOM 1274 NH1 ARG A 76 7.961 -14.277 1.919 1.00 0.00 N ATOM 1275 NH2 ARG A 76 6.084 -15.579 1.712 1.00 0.00 N ATOM 0 H ARG A 76 5.648 -10.036 4.557 1.00 0.00 H new ATOM 0 HA ARG A 76 6.855 -8.397 2.429 1.00 0.00 H new ATOM 0 HB2 ARG A 76 4.638 -10.475 2.263 1.00 0.00 H new ATOM 0 HB3 ARG A 76 5.525 -9.773 0.924 1.00 0.00 H new ATOM 0 HG2 ARG A 76 7.625 -10.805 2.200 1.00 0.00 H new ATOM 0 HG3 ARG A 76 6.409 -11.850 2.908 1.00 0.00 H new ATOM 0 HD2 ARG A 76 6.065 -11.555 0.002 1.00 0.00 H new ATOM 0 HD3 ARG A 76 7.645 -12.188 0.420 1.00 0.00 H new ATOM 0 HE ARG A 76 5.062 -13.530 0.744 1.00 0.00 H new ATOM 0 HH11 ARG A 76 8.435 -13.382 1.796 1.00 0.00 H new ATOM 0 HH12 ARG A 76 8.460 -15.067 2.328 1.00 0.00 H new ATOM 0 HH21 ARG A 76 5.110 -15.690 1.430 1.00 0.00 H new ATOM 0 HH22 ARG A 76 6.589 -16.365 2.122 1.00 0.00 H new ATOM 1289 N ILE A 77 4.410 -7.411 3.984 1.00 0.00 N ATOM 1290 CA ILE A 77 3.317 -6.451 4.086 1.00 0.00 C ATOM 1291 C ILE A 77 3.798 -5.131 4.685 1.00 0.00 C ATOM 1292 O ILE A 77 4.426 -5.112 5.744 1.00 0.00 O ATOM 1293 CB ILE A 77 2.160 -7.009 4.942 1.00 0.00 C ATOM 1294 CG1 ILE A 77 1.614 -8.294 4.317 1.00 0.00 C ATOM 1295 CG2 ILE A 77 1.051 -5.975 5.090 1.00 0.00 C ATOM 1296 CD1 ILE A 77 0.973 -9.231 5.319 1.00 0.00 C ATOM 0 H ILE A 77 4.823 -7.678 4.878 1.00 0.00 H new ATOM 0 HA ILE A 77 2.954 -6.272 3.074 1.00 0.00 H new ATOM 0 HB ILE A 77 2.545 -7.239 5.936 1.00 0.00 H new ATOM 0 HG12 ILE A 77 0.880 -8.034 3.554 1.00 0.00 H new ATOM 0 HG13 ILE A 77 2.427 -8.816 3.812 1.00 0.00 H new ATOM 0 HG21 ILE A 77 0.246 -6.389 5.697 1.00 0.00 H new ATOM 0 HG22 ILE A 77 1.448 -5.083 5.574 1.00 0.00 H new ATOM 0 HG23 ILE A 77 0.665 -5.712 4.105 1.00 0.00 H new ATOM 0 HD11 ILE A 77 0.609 -10.120 4.804 1.00 0.00 H new ATOM 0 HD12 ILE A 77 1.709 -9.521 6.068 1.00 0.00 H new ATOM 0 HD13 ILE A 77 0.139 -8.727 5.807 1.00 0.00 H new ATOM 1308 N PHE A 78 3.494 -4.031 4.003 1.00 0.00 N ATOM 1309 CA PHE A 78 3.887 -2.708 4.472 1.00 0.00 C ATOM 1310 C PHE A 78 2.676 -1.786 4.569 1.00 0.00 C ATOM 1311 O PHE A 78 1.754 -1.871 3.758 1.00 0.00 O ATOM 1312 CB PHE A 78 4.945 -2.098 3.549 1.00 0.00 C ATOM 1313 CG PHE A 78 4.583 -2.142 2.089 1.00 0.00 C ATOM 1314 CD1 PHE A 78 4.552 -3.345 1.403 1.00 0.00 C ATOM 1315 CD2 PHE A 78 4.281 -0.975 1.403 1.00 0.00 C ATOM 1316 CE1 PHE A 78 4.226 -3.385 0.060 1.00 0.00 C ATOM 1317 CE2 PHE A 78 3.954 -1.009 0.061 1.00 0.00 C ATOM 1318 CZ PHE A 78 3.927 -2.215 -0.612 1.00 0.00 C ATOM 0 H PHE A 78 2.977 -4.030 3.124 1.00 0.00 H new ATOM 0 HA PHE A 78 4.318 -2.818 5.467 1.00 0.00 H new ATOM 0 HB2 PHE A 78 5.112 -1.061 3.840 1.00 0.00 H new ATOM 0 HB3 PHE A 78 5.887 -2.626 3.695 1.00 0.00 H new ATOM 0 HD1 PHE A 78 4.785 -4.262 1.923 1.00 0.00 H new ATOM 0 HD2 PHE A 78 4.302 -0.029 1.924 1.00 0.00 H new ATOM 0 HE1 PHE A 78 4.205 -4.330 -0.463 1.00 0.00 H new ATOM 0 HE2 PHE A 78 3.720 -0.093 -0.461 1.00 0.00 H new ATOM 0 HZ PHE A 78 3.673 -2.244 -1.661 1.00 0.00 H new ATOM 1328 N GLN A 79 2.680 -0.912 5.571 1.00 0.00 N ATOM 1329 CA GLN A 79 1.577 0.018 5.781 1.00 0.00 C ATOM 1330 C GLN A 79 2.011 1.460 5.533 1.00 0.00 C ATOM 1331 O GLN A 79 3.124 1.855 5.884 1.00 0.00 O ATOM 1332 CB GLN A 79 1.035 -0.125 7.205 1.00 0.00 C ATOM 1333 CG GLN A 79 -0.097 0.837 7.530 1.00 0.00 C ATOM 1334 CD GLN A 79 -0.461 0.832 9.001 1.00 0.00 C ATOM 1335 OE1 GLN A 79 -0.263 1.822 9.705 1.00 0.00 O ATOM 1336 NE2 GLN A 79 -0.997 -0.287 9.474 1.00 0.00 N ATOM 0 H GLN A 79 3.436 -0.829 6.251 1.00 0.00 H new ATOM 0 HA GLN A 79 0.791 -0.226 5.067 1.00 0.00 H new ATOM 0 HB2 GLN A 79 0.684 -1.147 7.349 1.00 0.00 H new ATOM 0 HB3 GLN A 79 1.849 0.035 7.912 1.00 0.00 H new ATOM 0 HG2 GLN A 79 0.192 1.846 7.234 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -0.975 0.571 6.941 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -1.143 -1.084 8.854 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -1.262 -0.350 10.457 1.00 0.00 H new ATOM 1345 N ILE A 80 1.121 2.242 4.928 1.00 0.00 N ATOM 1346 CA ILE A 80 1.404 3.643 4.632 1.00 0.00 C ATOM 1347 C ILE A 80 0.328 4.554 5.221 1.00 0.00 C ATOM 1348 O ILE A 80 -0.840 4.470 4.845 1.00 0.00 O ATOM 1349 CB ILE A 80 1.493 3.887 3.112 1.00 0.00 C ATOM 1350 CG1 ILE A 80 2.543 2.964 2.487 1.00 0.00 C ATOM 1351 CG2 ILE A 80 1.822 5.345 2.822 1.00 0.00 C ATOM 1352 CD1 ILE A 80 2.101 2.346 1.179 1.00 0.00 C ATOM 0 H ILE A 80 0.196 1.928 4.633 1.00 0.00 H new ATOM 0 HA ILE A 80 2.366 3.878 5.087 1.00 0.00 H new ATOM 0 HB ILE A 80 0.524 3.661 2.667 1.00 0.00 H new ATOM 0 HG12 ILE A 80 3.460 3.530 2.321 1.00 0.00 H new ATOM 0 HG13 ILE A 80 2.783 2.169 3.193 1.00 0.00 H new ATOM 0 HG21 ILE A 80 1.881 5.497 1.744 1.00 0.00 H new ATOM 0 HG22 ILE A 80 1.042 5.983 3.237 1.00 0.00 H new ATOM 0 HG23 ILE A 80 2.779 5.599 3.277 1.00 0.00 H new ATOM 0 HD11 ILE A 80 2.894 1.705 0.793 1.00 0.00 H new ATOM 0 HD12 ILE A 80 1.201 1.753 1.343 1.00 0.00 H new ATOM 0 HD13 ILE A 80 1.889 3.135 0.457 1.00 0.00 H new ATOM 1364 N LEU A 81 0.731 5.426 6.142 1.00 0.00 N ATOM 1365 CA LEU A 81 -0.203 6.352 6.774 1.00 0.00 C ATOM 1366 C LEU A 81 -0.336 7.634 5.959 1.00 0.00 C ATOM 1367 O LEU A 81 0.629 8.099 5.351 1.00 0.00 O ATOM 1368 CB LEU A 81 0.253 6.688 8.196 1.00 0.00 C ATOM 1369 CG LEU A 81 -0.604 7.730 8.920 1.00 0.00 C ATOM 1370 CD1 LEU A 81 -1.922 7.119 9.370 1.00 0.00 C ATOM 1371 CD2 LEU A 81 0.148 8.310 10.108 1.00 0.00 C ATOM 0 H LEU A 81 1.695 5.510 6.466 1.00 0.00 H new ATOM 0 HA LEU A 81 -1.177 5.865 6.818 1.00 0.00 H new ATOM 0 HB2 LEU A 81 0.259 5.771 8.786 1.00 0.00 H new ATOM 0 HB3 LEU A 81 1.281 7.049 8.156 1.00 0.00 H new ATOM 0 HG LEU A 81 -0.820 8.539 8.223 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -2.517 7.875 9.882 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -2.469 6.754 8.501 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -1.725 6.290 10.050 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -0.478 9.048 10.609 1.00 0.00 H new ATOM 0 HD22 LEU A 81 0.397 7.511 10.806 1.00 0.00 H new ATOM 0 HD23 LEU A 81 1.065 8.787 9.761 1.00 0.00 H new ATOM 1383 N TYR A 82 -1.537 8.200 5.954 1.00 0.00 N ATOM 1384 CA TYR A 82 -1.800 9.431 5.217 1.00 0.00 C ATOM 1385 C TYR A 82 -3.008 10.159 5.795 1.00 0.00 C ATOM 1386 O TYR A 82 -3.983 9.532 6.208 1.00 0.00 O ATOM 1387 CB TYR A 82 -2.034 9.127 3.737 1.00 0.00 C ATOM 1388 CG TYR A 82 -2.935 7.939 3.497 1.00 0.00 C ATOM 1389 CD1 TYR A 82 -2.484 6.645 3.720 1.00 0.00 C ATOM 1390 CD2 TYR A 82 -4.239 8.112 3.046 1.00 0.00 C ATOM 1391 CE1 TYR A 82 -3.306 5.557 3.502 1.00 0.00 C ATOM 1392 CE2 TYR A 82 -5.067 7.026 2.827 1.00 0.00 C ATOM 1393 CZ TYR A 82 -4.596 5.751 3.055 1.00 0.00 C ATOM 1394 OH TYR A 82 -5.416 4.668 2.838 1.00 0.00 O ATOM 0 H TYR A 82 -2.345 7.826 6.452 1.00 0.00 H new ATOM 0 HA TYR A 82 -0.927 10.076 5.312 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -2.469 10.005 3.259 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -1.073 8.946 3.256 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -1.474 6.487 4.069 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -4.611 9.110 2.864 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -2.940 4.557 3.681 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -6.078 7.176 2.479 1.00 0.00 H new ATOM 0 HH TYR A 82 -6.292 4.978 2.526 1.00 0.00 H new ATOM 1404 N ALA A 83 -2.936 11.484 5.823 1.00 0.00 N ATOM 1405 CA ALA A 83 -4.025 12.296 6.353 1.00 0.00 C ATOM 1406 C ALA A 83 -5.246 12.243 5.439 1.00 0.00 C ATOM 1407 O ALA A 83 -5.139 12.455 4.231 1.00 0.00 O ATOM 1408 CB ALA A 83 -3.568 13.733 6.539 1.00 0.00 C ATOM 0 H ALA A 83 -2.136 12.019 5.485 1.00 0.00 H new ATOM 0 HA ALA A 83 -4.311 11.887 7.322 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -4.391 14.328 6.935 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -2.731 13.761 7.237 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -3.254 14.142 5.579 1.00 0.00 H new ATOM 1414 N ASN A 84 -6.405 11.959 6.025 1.00 0.00 N ATOM 1415 CA ASN A 84 -7.646 11.881 5.262 1.00 0.00 C ATOM 1416 C ASN A 84 -8.556 13.064 5.583 1.00 0.00 C ATOM 1417 O ASN A 84 -9.129 13.682 4.685 1.00 0.00 O ATOM 1418 CB ASN A 84 -8.366 10.558 5.554 1.00 0.00 C ATOM 1419 CG ASN A 84 -9.096 10.563 6.885 1.00 0.00 C ATOM 1420 OD1 ASN A 84 -8.431 10.079 7.926 1.00 0.00 O flip ATOM 1421 ND2 ASN A 84 -10.244 10.996 6.974 1.00 0.00 N flip ATOM 0 H ASN A 84 -6.511 11.779 7.023 1.00 0.00 H new ATOM 0 HA ASN A 84 -7.399 11.920 4.201 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -9.079 10.354 4.755 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -7.639 9.746 5.547 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -10.718 11.359 6.147 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -10.722 10.992 7.875 1.00 0.00 H new ATOM 1428 N GLU A 85 -8.683 13.372 6.870 1.00 0.00 N ATOM 1429 CA GLU A 85 -9.520 14.480 7.314 1.00 0.00 C ATOM 1430 C GLU A 85 -8.689 15.532 8.039 1.00 0.00 C ATOM 1431 O GLU A 85 -8.910 16.732 7.879 1.00 0.00 O ATOM 1432 CB GLU A 85 -10.633 13.969 8.232 1.00 0.00 C ATOM 1433 CG GLU A 85 -11.883 13.529 7.487 1.00 0.00 C ATOM 1434 CD GLU A 85 -13.158 13.995 8.161 1.00 0.00 C ATOM 1435 OE1 GLU A 85 -13.377 15.222 8.236 1.00 0.00 O ATOM 1436 OE2 GLU A 85 -13.939 13.131 8.615 1.00 0.00 O ATOM 0 H GLU A 85 -8.216 12.869 7.624 1.00 0.00 H new ATOM 0 HA GLU A 85 -9.968 14.941 6.434 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -10.254 13.130 8.816 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -10.899 14.755 8.939 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -11.851 13.919 6.470 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -11.893 12.442 7.412 1.00 0.00 H new ATOM 1443 N GLY A 86 -7.728 15.071 8.835 1.00 0.00 N ATOM 1444 CA GLY A 86 -6.874 15.983 9.572 1.00 0.00 C ATOM 1445 C GLY A 86 -5.506 15.391 9.852 1.00 0.00 C ATOM 1446 O GLY A 86 -4.620 15.429 8.999 1.00 0.00 O ATOM 0 H GLY A 86 -7.526 14.082 8.982 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -6.759 16.907 9.006 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -7.354 16.245 10.515 1.00 0.00 H new ATOM 1450 N ILE A 87 -5.334 14.844 11.050 1.00 0.00 N ATOM 1451 CA ILE A 87 -4.063 14.245 11.441 1.00 0.00 C ATOM 1452 C ILE A 87 -4.281 12.915 12.155 1.00 0.00 C ATOM 1453 O ILE A 87 -3.933 11.856 11.636 1.00 0.00 O ATOM 1454 CB ILE A 87 -3.250 15.178 12.362 1.00 0.00 C ATOM 1455 CG1 ILE A 87 -3.436 16.639 11.947 1.00 0.00 C ATOM 1456 CG2 ILE A 87 -1.778 14.798 12.333 1.00 0.00 C ATOM 1457 CD1 ILE A 87 -4.574 17.333 12.665 1.00 0.00 C ATOM 0 H ILE A 87 -6.058 14.803 11.767 1.00 0.00 H new ATOM 0 HA ILE A 87 -3.501 14.080 10.522 1.00 0.00 H new ATOM 0 HB ILE A 87 -3.617 15.063 13.382 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -2.511 17.183 12.139 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -3.615 16.683 10.873 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -1.217 15.465 12.988 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -1.661 13.770 12.676 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -1.399 14.886 11.315 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -4.646 18.365 12.321 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -5.509 16.813 12.453 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -4.388 17.321 13.739 1.00 0.00 H new ATOM 1469 N SER A 88 -4.857 12.982 13.350 1.00 0.00 N ATOM 1470 CA SER A 88 -5.121 11.785 14.141 1.00 0.00 C ATOM 1471 C SER A 88 -6.058 10.835 13.401 1.00 0.00 C ATOM 1472 O SER A 88 -5.979 9.617 13.562 1.00 0.00 O ATOM 1473 CB SER A 88 -5.723 12.165 15.492 1.00 0.00 C ATOM 1474 OG SER A 88 -5.678 11.075 16.398 1.00 0.00 O ATOM 0 H SER A 88 -5.150 13.853 13.793 1.00 0.00 H new ATOM 0 HA SER A 88 -4.173 11.273 14.304 1.00 0.00 H new ATOM 0 HB2 SER A 88 -5.179 13.012 15.910 1.00 0.00 H new ATOM 0 HB3 SER A 88 -6.756 12.486 15.356 1.00 0.00 H new ATOM 0 HG SER A 88 -6.068 11.346 17.255 1.00 0.00 H new ATOM 1480 N SER A 89 -6.947 11.401 12.588 1.00 0.00 N ATOM 1481 CA SER A 89 -7.899 10.602 11.824 1.00 0.00 C ATOM 1482 C SER A 89 -7.217 9.915 10.642 1.00 0.00 C ATOM 1483 O SER A 89 -7.727 8.928 10.113 1.00 0.00 O ATOM 1484 CB SER A 89 -9.045 11.481 11.322 1.00 0.00 C ATOM 1485 OG SER A 89 -9.753 12.063 12.403 1.00 0.00 O ATOM 0 H SER A 89 -7.027 12.407 12.442 1.00 0.00 H new ATOM 0 HA SER A 89 -8.298 9.833 12.485 1.00 0.00 H new ATOM 0 HB2 SER A 89 -8.650 12.266 10.677 1.00 0.00 H new ATOM 0 HB3 SER A 89 -9.727 10.884 10.716 1.00 0.00 H new ATOM 0 HG SER A 89 -10.479 12.622 12.055 1.00 0.00 H new ATOM 1491 N ALA A 90 -6.063 10.448 10.235 1.00 0.00 N ATOM 1492 CA ALA A 90 -5.300 9.900 9.114 1.00 0.00 C ATOM 1493 C ALA A 90 -5.351 8.374 9.077 1.00 0.00 C ATOM 1494 O ALA A 90 -5.012 7.706 10.054 1.00 0.00 O ATOM 1495 CB ALA A 90 -3.857 10.371 9.189 1.00 0.00 C ATOM 0 H ALA A 90 -5.635 11.265 10.670 1.00 0.00 H new ATOM 0 HA ALA A 90 -5.758 10.265 8.195 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -3.296 9.958 8.351 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -3.827 11.460 9.145 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -3.412 10.033 10.125 1.00 0.00 H new ATOM 1501 N LYS A 91 -5.778 7.832 7.942 1.00 0.00 N ATOM 1502 CA LYS A 91 -5.874 6.388 7.771 1.00 0.00 C ATOM 1503 C LYS A 91 -4.604 5.834 7.135 1.00 0.00 C ATOM 1504 O LYS A 91 -3.706 6.588 6.765 1.00 0.00 O ATOM 1505 CB LYS A 91 -7.087 6.035 6.911 1.00 0.00 C ATOM 1506 CG LYS A 91 -8.391 6.625 7.426 1.00 0.00 C ATOM 1507 CD LYS A 91 -8.755 6.065 8.793 1.00 0.00 C ATOM 1508 CE LYS A 91 -9.914 5.083 8.708 1.00 0.00 C ATOM 1509 NZ LYS A 91 -9.523 3.722 9.167 1.00 0.00 N ATOM 0 H LYS A 91 -6.064 8.372 7.125 1.00 0.00 H new ATOM 0 HA LYS A 91 -5.994 5.935 8.755 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -6.915 6.387 5.894 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -7.183 4.950 6.861 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -8.301 7.710 7.488 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -9.193 6.411 6.719 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -7.887 5.567 9.225 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -9.020 6.883 9.463 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -10.743 5.447 9.315 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -10.271 5.031 7.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -10.340 3.083 9.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -8.749 3.364 8.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -9.207 3.767 10.157 1.00 0.00 H new ATOM 1523 N ASN A 92 -4.536 4.513 7.014 1.00 0.00 N ATOM 1524 CA ASN A 92 -3.372 3.862 6.424 1.00 0.00 C ATOM 1525 C ASN A 92 -3.784 2.886 5.328 1.00 0.00 C ATOM 1526 O ASN A 92 -4.962 2.556 5.185 1.00 0.00 O ATOM 1527 CB ASN A 92 -2.562 3.128 7.499 1.00 0.00 C ATOM 1528 CG ASN A 92 -3.431 2.570 8.612 1.00 0.00 C ATOM 1529 OD1 ASN A 92 -4.430 1.777 8.245 1.00 0.00 O flip ATOM 1530 ND2 ASN A 92 -3.203 2.848 9.790 1.00 0.00 N flip ATOM 0 H ASN A 92 -5.271 3.873 7.316 1.00 0.00 H new ATOM 0 HA ASN A 92 -2.749 4.638 5.978 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -2.006 2.313 7.035 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -1.829 3.812 7.925 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -2.424 3.462 10.028 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -3.793 2.464 10.528 1.00 0.00 H new ATOM 1537 N LEU A 93 -2.803 2.424 4.559 1.00 0.00 N ATOM 1538 CA LEU A 93 -3.056 1.484 3.475 1.00 0.00 C ATOM 1539 C LEU A 93 -2.147 0.265 3.595 1.00 0.00 C ATOM 1540 O LEU A 93 -0.923 0.385 3.541 1.00 0.00 O ATOM 1541 CB LEU A 93 -2.842 2.162 2.117 1.00 0.00 C ATOM 1542 CG LEU A 93 -3.994 1.999 1.124 1.00 0.00 C ATOM 1543 CD1 LEU A 93 -4.126 3.240 0.254 1.00 0.00 C ATOM 1544 CD2 LEU A 93 -3.782 0.762 0.264 1.00 0.00 C ATOM 0 H LEU A 93 -1.823 2.687 4.668 1.00 0.00 H new ATOM 0 HA LEU A 93 -4.093 1.155 3.547 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -2.672 3.226 2.282 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -1.934 1.760 1.666 1.00 0.00 H new ATOM 0 HG LEU A 93 -4.920 1.873 1.685 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -4.950 3.107 -0.447 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -4.322 4.107 0.885 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -3.200 3.396 -0.300 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -4.610 0.660 -0.437 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -2.848 0.859 -0.289 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -3.736 -0.121 0.902 1.00 0.00 H new ATOM 1556 N LEU A 94 -2.751 -0.907 3.755 1.00 0.00 N ATOM 1557 CA LEU A 94 -1.989 -2.143 3.878 1.00 0.00 C ATOM 1558 C LEU A 94 -1.810 -2.799 2.514 1.00 0.00 C ATOM 1559 O LEU A 94 -2.785 -3.101 1.828 1.00 0.00 O ATOM 1560 CB LEU A 94 -2.694 -3.106 4.835 1.00 0.00 C ATOM 1561 CG LEU A 94 -2.566 -2.756 6.320 1.00 0.00 C ATOM 1562 CD1 LEU A 94 -1.165 -3.061 6.822 1.00 0.00 C ATOM 1563 CD2 LEU A 94 -2.912 -1.292 6.552 1.00 0.00 C ATOM 0 H LEU A 94 -3.763 -1.027 3.802 1.00 0.00 H new ATOM 0 HA LEU A 94 -1.005 -1.902 4.280 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -3.752 -3.141 4.576 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -2.294 -4.108 4.678 1.00 0.00 H new ATOM 0 HG LEU A 94 -3.271 -3.370 6.881 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -1.094 -2.806 7.879 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -0.954 -4.122 6.690 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -0.440 -2.474 6.257 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -2.816 -1.059 7.613 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -2.231 -0.662 5.979 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -3.937 -1.105 6.231 1.00 0.00 H new ATOM 1575 N LEU A 95 -0.557 -3.011 2.125 1.00 0.00 N ATOM 1576 CA LEU A 95 -0.255 -3.623 0.840 1.00 0.00 C ATOM 1577 C LEU A 95 0.654 -4.836 1.006 1.00 0.00 C ATOM 1578 O LEU A 95 1.776 -4.722 1.500 1.00 0.00 O ATOM 1579 CB LEU A 95 0.401 -2.596 -0.084 1.00 0.00 C ATOM 1580 CG LEU A 95 -0.419 -1.326 -0.331 1.00 0.00 C ATOM 1581 CD1 LEU A 95 0.174 -0.531 -1.480 1.00 0.00 C ATOM 1582 CD2 LEU A 95 -1.873 -1.671 -0.620 1.00 0.00 C ATOM 0 H LEU A 95 0.263 -2.768 2.681 1.00 0.00 H new ATOM 0 HA LEU A 95 -1.191 -3.963 0.396 1.00 0.00 H new ATOM 0 HB2 LEU A 95 1.364 -2.311 0.340 1.00 0.00 H new ATOM 0 HB3 LEU A 95 0.604 -3.071 -1.044 1.00 0.00 H new ATOM 0 HG LEU A 95 -0.385 -0.715 0.571 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -0.419 0.369 -1.644 1.00 0.00 H new ATOM 0 HD12 LEU A 95 1.199 -0.251 -1.238 1.00 0.00 H new ATOM 0 HD13 LEU A 95 0.168 -1.139 -2.384 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -2.437 -0.754 -0.792 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -1.928 -2.303 -1.506 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -2.297 -2.203 0.232 1.00 0.00 H new ATOM 1594 N LEU A 96 0.160 -5.992 0.583 1.00 0.00 N ATOM 1595 CA LEU A 96 0.920 -7.233 0.673 1.00 0.00 C ATOM 1596 C LEU A 96 1.671 -7.493 -0.630 1.00 0.00 C ATOM 1597 O LEU A 96 1.103 -7.390 -1.716 1.00 0.00 O ATOM 1598 CB LEU A 96 -0.022 -8.401 0.997 1.00 0.00 C ATOM 1599 CG LEU A 96 0.542 -9.804 0.749 1.00 0.00 C ATOM 1600 CD1 LEU A 96 1.365 -10.266 1.942 1.00 0.00 C ATOM 1601 CD2 LEU A 96 -0.588 -10.785 0.467 1.00 0.00 C ATOM 0 H LEU A 96 -0.768 -6.097 0.172 1.00 0.00 H new ATOM 0 HA LEU A 96 1.652 -7.142 1.475 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -0.313 -8.328 2.045 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -0.930 -8.285 0.405 1.00 0.00 H new ATOM 0 HG LEU A 96 1.194 -9.767 -0.123 1.00 0.00 H new ATOM 0 HD11 LEU A 96 1.758 -11.264 1.748 1.00 0.00 H new ATOM 0 HD12 LEU A 96 2.193 -9.575 2.102 1.00 0.00 H new ATOM 0 HD13 LEU A 96 0.735 -10.290 2.831 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -0.173 -11.778 0.293 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -1.262 -10.819 1.323 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -1.139 -10.462 -0.416 1.00 0.00 H new ATOM 1613 N ALA A 97 2.952 -7.829 -0.513 1.00 0.00 N ATOM 1614 CA ALA A 97 3.777 -8.102 -1.683 1.00 0.00 C ATOM 1615 C ALA A 97 4.047 -9.596 -1.827 1.00 0.00 C ATOM 1616 O ALA A 97 4.264 -10.295 -0.837 1.00 0.00 O ATOM 1617 CB ALA A 97 5.086 -7.330 -1.597 1.00 0.00 C ATOM 0 H ALA A 97 3.440 -7.918 0.378 1.00 0.00 H new ATOM 0 HA ALA A 97 3.232 -7.772 -2.568 1.00 0.00 H new ATOM 0 HB1 ALA A 97 5.693 -7.543 -2.477 1.00 0.00 H new ATOM 0 HB2 ALA A 97 4.876 -6.261 -1.551 1.00 0.00 H new ATOM 0 HB3 ALA A 97 5.628 -7.632 -0.701 1.00 0.00 H new ATOM 1623 N ASN A 98 4.038 -10.079 -3.065 1.00 0.00 N ATOM 1624 CA ASN A 98 4.285 -11.491 -3.337 1.00 0.00 C ATOM 1625 C ASN A 98 5.634 -11.922 -2.772 1.00 0.00 C ATOM 1626 O ASN A 98 5.824 -13.079 -2.400 1.00 0.00 O ATOM 1627 CB ASN A 98 4.240 -11.764 -4.841 1.00 0.00 C ATOM 1628 CG ASN A 98 3.055 -11.100 -5.516 1.00 0.00 C ATOM 1629 OD1 ASN A 98 1.960 -11.660 -5.564 1.00 0.00 O ATOM 1630 ND2 ASN A 98 3.270 -9.900 -6.041 1.00 0.00 N ATOM 0 H ASN A 98 3.862 -9.514 -3.896 1.00 0.00 H new ATOM 0 HA ASN A 98 3.501 -12.070 -2.849 1.00 0.00 H new ATOM 0 HB2 ASN A 98 5.162 -11.407 -5.300 1.00 0.00 H new ATOM 0 HB3 ASN A 98 4.195 -12.840 -5.011 1.00 0.00 H new ATOM 0 HD21 ASN A 98 2.511 -9.404 -6.508 1.00 0.00 H new ATOM 0 HD22 ASN A 98 4.195 -9.474 -5.978 1.00 0.00 H new ATOM 1637 N SER A 99 6.570 -10.980 -2.710 1.00 0.00 N ATOM 1638 CA SER A 99 7.902 -11.259 -2.189 1.00 0.00 C ATOM 1639 C SER A 99 8.361 -10.144 -1.255 1.00 0.00 C ATOM 1640 O SER A 99 8.003 -8.981 -1.438 1.00 0.00 O ATOM 1641 CB SER A 99 8.900 -11.421 -3.336 1.00 0.00 C ATOM 1642 OG SER A 99 8.841 -12.725 -3.884 1.00 0.00 O ATOM 0 H SER A 99 6.430 -10.017 -3.014 1.00 0.00 H new ATOM 0 HA SER A 99 7.857 -12.190 -1.624 1.00 0.00 H new ATOM 0 HB2 SER A 99 8.687 -10.687 -4.113 1.00 0.00 H new ATOM 0 HB3 SER A 99 9.909 -11.220 -2.975 1.00 0.00 H new ATOM 0 HG SER A 99 9.488 -12.802 -4.616 1.00 0.00 H new ATOM 1648 N THR A 100 9.153 -10.508 -0.251 1.00 0.00 N ATOM 1649 CA THR A 100 9.659 -9.538 0.714 1.00 0.00 C ATOM 1650 C THR A 100 10.385 -8.396 0.010 1.00 0.00 C ATOM 1651 O THR A 100 10.166 -7.224 0.316 1.00 0.00 O ATOM 1652 CB THR A 100 10.606 -10.221 1.703 1.00 0.00 C ATOM 1653 OG1 THR A 100 10.251 -11.582 1.877 1.00 0.00 O ATOM 1654 CG2 THR A 100 10.616 -9.571 3.068 1.00 0.00 C ATOM 0 H THR A 100 9.458 -11.467 -0.085 1.00 0.00 H new ATOM 0 HA THR A 100 8.808 -9.126 1.256 1.00 0.00 H new ATOM 0 HB THR A 100 11.600 -10.124 1.266 1.00 0.00 H new ATOM 0 HG1 THR A 100 10.868 -12.003 2.511 1.00 0.00 H new ATOM 0 HG21 THR A 100 11.308 -10.104 3.720 1.00 0.00 H new ATOM 0 HG22 THR A 100 10.933 -8.532 2.974 1.00 0.00 H new ATOM 0 HG23 THR A 100 9.614 -9.607 3.495 1.00 0.00 H new ATOM 1662 N GLU A 101 11.252 -8.750 -0.934 1.00 0.00 N ATOM 1663 CA GLU A 101 12.020 -7.762 -1.686 1.00 0.00 C ATOM 1664 C GLU A 101 11.110 -6.697 -2.292 1.00 0.00 C ATOM 1665 O GLU A 101 11.433 -5.509 -2.279 1.00 0.00 O ATOM 1666 CB GLU A 101 12.825 -8.451 -2.788 1.00 0.00 C ATOM 1667 CG GLU A 101 13.685 -9.597 -2.285 1.00 0.00 C ATOM 1668 CD GLU A 101 14.874 -9.873 -3.183 1.00 0.00 C ATOM 1669 OE1 GLU A 101 14.697 -9.875 -4.420 1.00 0.00 O ATOM 1670 OE2 GLU A 101 15.984 -10.088 -2.651 1.00 0.00 O ATOM 0 H GLU A 101 11.441 -9.717 -1.197 1.00 0.00 H new ATOM 0 HA GLU A 101 12.703 -7.269 -0.994 1.00 0.00 H new ATOM 0 HB2 GLU A 101 12.139 -8.828 -3.546 1.00 0.00 H new ATOM 0 HB3 GLU A 101 13.464 -7.714 -3.275 1.00 0.00 H new ATOM 0 HG2 GLU A 101 14.039 -9.366 -1.280 1.00 0.00 H new ATOM 0 HG3 GLU A 101 13.075 -10.497 -2.209 1.00 0.00 H new ATOM 1677 N GLU A 102 9.969 -7.129 -2.824 1.00 0.00 N ATOM 1678 CA GLU A 102 9.013 -6.211 -3.434 1.00 0.00 C ATOM 1679 C GLU A 102 8.573 -5.144 -2.438 1.00 0.00 C ATOM 1680 O GLU A 102 8.429 -3.973 -2.789 1.00 0.00 O ATOM 1681 CB GLU A 102 7.793 -6.979 -3.947 1.00 0.00 C ATOM 1682 CG GLU A 102 6.900 -6.162 -4.864 1.00 0.00 C ATOM 1683 CD GLU A 102 7.639 -5.626 -6.074 1.00 0.00 C ATOM 1684 OE1 GLU A 102 8.352 -4.610 -5.933 1.00 0.00 O ATOM 1685 OE2 GLU A 102 7.505 -6.223 -7.163 1.00 0.00 O ATOM 0 H GLU A 102 9.685 -8.108 -2.845 1.00 0.00 H new ATOM 0 HA GLU A 102 9.504 -5.719 -4.274 1.00 0.00 H new ATOM 0 HB2 GLU A 102 8.132 -7.867 -4.481 1.00 0.00 H new ATOM 0 HB3 GLU A 102 7.207 -7.323 -3.095 1.00 0.00 H new ATOM 0 HG2 GLU A 102 6.066 -6.780 -5.197 1.00 0.00 H new ATOM 0 HG3 GLU A 102 6.476 -5.329 -4.304 1.00 0.00 H new ATOM 1692 N GLN A 103 8.361 -5.557 -1.194 1.00 0.00 N ATOM 1693 CA GLN A 103 7.938 -4.639 -0.144 1.00 0.00 C ATOM 1694 C GLN A 103 9.047 -3.643 0.193 1.00 0.00 C ATOM 1695 O GLN A 103 8.781 -2.470 0.452 1.00 0.00 O ATOM 1696 CB GLN A 103 7.531 -5.418 1.109 1.00 0.00 C ATOM 1697 CG GLN A 103 7.236 -4.537 2.312 1.00 0.00 C ATOM 1698 CD GLN A 103 8.422 -4.421 3.250 1.00 0.00 C ATOM 1699 OE1 GLN A 103 9.540 -4.139 2.825 1.00 0.00 O ATOM 1700 NE2 GLN A 103 8.180 -4.639 4.537 1.00 0.00 N ATOM 0 H GLN A 103 8.475 -6.523 -0.888 1.00 0.00 H new ATOM 0 HA GLN A 103 7.077 -4.080 -0.510 1.00 0.00 H new ATOM 0 HB2 GLN A 103 6.648 -6.015 0.883 1.00 0.00 H new ATOM 0 HB3 GLN A 103 8.329 -6.114 1.367 1.00 0.00 H new ATOM 0 HG2 GLN A 103 6.949 -3.543 1.969 1.00 0.00 H new ATOM 0 HG3 GLN A 103 6.384 -4.944 2.857 1.00 0.00 H new ATOM 0 HE21 GLN A 103 7.236 -4.871 4.846 1.00 0.00 H new ATOM 0 HE22 GLN A 103 8.938 -4.575 5.216 1.00 0.00 H new ATOM 1709 N GLN A 104 10.289 -4.119 0.187 1.00 0.00 N ATOM 1710 CA GLN A 104 11.432 -3.263 0.496 1.00 0.00 C ATOM 1711 C GLN A 104 11.519 -2.107 -0.493 1.00 0.00 C ATOM 1712 O GLN A 104 11.638 -0.945 -0.101 1.00 0.00 O ATOM 1713 CB GLN A 104 12.742 -4.058 0.469 1.00 0.00 C ATOM 1714 CG GLN A 104 12.626 -5.479 0.996 1.00 0.00 C ATOM 1715 CD GLN A 104 11.957 -5.551 2.355 1.00 0.00 C ATOM 1716 OE1 GLN A 104 11.949 -4.578 3.109 1.00 0.00 O ATOM 1717 NE2 GLN A 104 11.398 -6.712 2.673 1.00 0.00 N ATOM 0 H GLN A 104 10.530 -5.087 -0.027 1.00 0.00 H new ATOM 0 HA GLN A 104 11.284 -2.867 1.501 1.00 0.00 H new ATOM 0 HB2 GLN A 104 13.110 -4.093 -0.556 1.00 0.00 H new ATOM 0 HB3 GLN A 104 13.488 -3.525 1.058 1.00 0.00 H new ATOM 0 HG2 GLN A 104 12.059 -6.080 0.285 1.00 0.00 H new ATOM 0 HG3 GLN A 104 13.621 -5.919 1.063 1.00 0.00 H new ATOM 0 HE21 GLN A 104 11.430 -7.491 2.015 1.00 0.00 H new ATOM 0 HE22 GLN A 104 10.936 -6.826 3.575 1.00 0.00 H new ATOM 1726 N LYS A 105 11.465 -2.436 -1.779 1.00 0.00 N ATOM 1727 CA LYS A 105 11.544 -1.431 -2.830 1.00 0.00 C ATOM 1728 C LYS A 105 10.318 -0.523 -2.819 1.00 0.00 C ATOM 1729 O LYS A 105 10.440 0.698 -2.917 1.00 0.00 O ATOM 1730 CB LYS A 105 11.682 -2.103 -4.199 1.00 0.00 C ATOM 1731 CG LYS A 105 11.663 -1.126 -5.365 1.00 0.00 C ATOM 1732 CD LYS A 105 11.723 -1.850 -6.702 1.00 0.00 C ATOM 1733 CE LYS A 105 10.528 -1.507 -7.577 1.00 0.00 C ATOM 1734 NZ LYS A 105 10.832 -1.678 -9.025 1.00 0.00 N ATOM 0 H LYS A 105 11.367 -3.393 -2.118 1.00 0.00 H new ATOM 0 HA LYS A 105 12.425 -0.818 -2.640 1.00 0.00 H new ATOM 0 HB2 LYS A 105 12.614 -2.667 -4.225 1.00 0.00 H new ATOM 0 HB3 LYS A 105 10.871 -2.821 -4.325 1.00 0.00 H new ATOM 0 HG2 LYS A 105 10.758 -0.520 -5.319 1.00 0.00 H new ATOM 0 HG3 LYS A 105 12.508 -0.443 -5.282 1.00 0.00 H new ATOM 0 HD2 LYS A 105 12.644 -1.582 -7.221 1.00 0.00 H new ATOM 0 HD3 LYS A 105 11.754 -2.926 -6.533 1.00 0.00 H new ATOM 0 HE2 LYS A 105 9.685 -2.143 -7.306 1.00 0.00 H new ATOM 0 HE3 LYS A 105 10.224 -0.477 -7.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 9.992 -1.434 -9.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 11.620 -1.053 -9.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 11.097 -2.667 -9.210 1.00 0.00 H new ATOM 1748 N TRP A 106 9.135 -1.121 -2.712 1.00 0.00 N ATOM 1749 CA TRP A 106 7.897 -0.351 -2.704 1.00 0.00 C ATOM 1750 C TRP A 106 7.899 0.696 -1.595 1.00 0.00 C ATOM 1751 O TRP A 106 7.626 1.872 -1.834 1.00 0.00 O ATOM 1752 CB TRP A 106 6.691 -1.269 -2.534 1.00 0.00 C ATOM 1753 CG TRP A 106 5.979 -1.525 -3.820 1.00 0.00 C ATOM 1754 CD1 TRP A 106 6.238 -2.528 -4.698 1.00 0.00 C ATOM 1755 CD2 TRP A 106 4.908 -0.759 -4.386 1.00 0.00 C ATOM 1756 NE1 TRP A 106 5.380 -2.454 -5.769 1.00 0.00 N ATOM 1757 CE2 TRP A 106 4.557 -1.374 -5.603 1.00 0.00 C ATOM 1758 CE3 TRP A 106 4.205 0.379 -3.982 1.00 0.00 C ATOM 1759 CZ2 TRP A 106 3.539 -0.888 -6.415 1.00 0.00 C ATOM 1760 CZ3 TRP A 106 3.193 0.860 -4.795 1.00 0.00 C ATOM 1761 CH2 TRP A 106 2.869 0.225 -5.996 1.00 0.00 C ATOM 0 H TRP A 106 9.008 -2.130 -2.630 1.00 0.00 H new ATOM 0 HA TRP A 106 7.828 0.160 -3.664 1.00 0.00 H new ATOM 0 HB2 TRP A 106 7.018 -2.218 -2.109 1.00 0.00 H new ATOM 0 HB3 TRP A 106 5.997 -0.823 -1.821 1.00 0.00 H new ATOM 0 HD1 TRP A 106 7.007 -3.276 -4.573 1.00 0.00 H new ATOM 0 HE1 TRP A 106 5.360 -3.099 -6.559 1.00 0.00 H new ATOM 0 HE3 TRP A 106 4.447 0.874 -3.053 1.00 0.00 H new ATOM 0 HZ2 TRP A 106 3.287 -1.374 -7.346 1.00 0.00 H new ATOM 0 HZ3 TRP A 106 2.645 1.741 -4.496 1.00 0.00 H new ATOM 0 HH2 TRP A 106 2.072 0.623 -6.606 1.00 0.00 H new ATOM 1772 N VAL A 107 8.202 0.253 -0.381 1.00 0.00 N ATOM 1773 CA VAL A 107 8.233 1.135 0.779 1.00 0.00 C ATOM 1774 C VAL A 107 9.338 2.180 0.663 1.00 0.00 C ATOM 1775 O VAL A 107 9.109 3.365 0.901 1.00 0.00 O ATOM 1776 CB VAL A 107 8.434 0.329 2.078 1.00 0.00 C ATOM 1777 CG1 VAL A 107 8.401 1.244 3.295 1.00 0.00 C ATOM 1778 CG2 VAL A 107 7.381 -0.761 2.195 1.00 0.00 C ATOM 0 H VAL A 107 8.431 -0.719 -0.174 1.00 0.00 H new ATOM 0 HA VAL A 107 7.271 1.646 0.813 1.00 0.00 H new ATOM 0 HB VAL A 107 9.416 -0.143 2.039 1.00 0.00 H new ATOM 0 HG11 VAL A 107 8.545 0.652 4.199 1.00 0.00 H new ATOM 0 HG12 VAL A 107 9.197 1.984 3.215 1.00 0.00 H new ATOM 0 HG13 VAL A 107 7.437 1.751 3.343 1.00 0.00 H new ATOM 0 HG21 VAL A 107 7.537 -1.320 3.117 1.00 0.00 H new ATOM 0 HG22 VAL A 107 6.389 -0.309 2.208 1.00 0.00 H new ATOM 0 HG23 VAL A 107 7.460 -1.436 1.343 1.00 0.00 H new ATOM 1788 N SER A 108 10.537 1.733 0.307 1.00 0.00 N ATOM 1789 CA SER A 108 11.680 2.631 0.177 1.00 0.00 C ATOM 1790 C SER A 108 11.476 3.642 -0.951 1.00 0.00 C ATOM 1791 O SER A 108 11.897 4.794 -0.842 1.00 0.00 O ATOM 1792 CB SER A 108 12.957 1.825 -0.074 1.00 0.00 C ATOM 1793 OG SER A 108 13.386 1.168 1.106 1.00 0.00 O ATOM 0 H SER A 108 10.743 0.755 0.103 1.00 0.00 H new ATOM 0 HA SER A 108 11.775 3.183 1.112 1.00 0.00 H new ATOM 0 HB2 SER A 108 12.778 1.090 -0.859 1.00 0.00 H new ATOM 0 HB3 SER A 108 13.745 2.488 -0.432 1.00 0.00 H new ATOM 0 HG SER A 108 12.988 0.273 1.145 1.00 0.00 H new ATOM 1799 N ARG A 109 10.841 3.207 -2.032 1.00 0.00 N ATOM 1800 CA ARG A 109 10.597 4.084 -3.172 1.00 0.00 C ATOM 1801 C ARG A 109 9.476 5.078 -2.881 1.00 0.00 C ATOM 1802 O ARG A 109 9.650 6.287 -3.029 1.00 0.00 O ATOM 1803 CB ARG A 109 10.255 3.260 -4.413 1.00 0.00 C ATOM 1804 CG ARG A 109 11.476 2.792 -5.188 1.00 0.00 C ATOM 1805 CD ARG A 109 12.156 3.948 -5.903 1.00 0.00 C ATOM 1806 NE ARG A 109 11.532 4.237 -7.192 1.00 0.00 N ATOM 1807 CZ ARG A 109 11.558 3.406 -8.231 1.00 0.00 C ATOM 1808 NH1 ARG A 109 12.175 2.234 -8.137 1.00 0.00 N ATOM 1809 NH2 ARG A 109 10.962 3.745 -9.366 1.00 0.00 N ATOM 0 H ARG A 109 10.487 2.257 -2.144 1.00 0.00 H new ATOM 0 HA ARG A 109 11.511 4.649 -3.357 1.00 0.00 H new ATOM 0 HB2 ARG A 109 9.671 2.390 -4.112 1.00 0.00 H new ATOM 0 HB3 ARG A 109 9.623 3.856 -5.072 1.00 0.00 H new ATOM 0 HG2 ARG A 109 12.182 2.318 -4.506 1.00 0.00 H new ATOM 0 HG3 ARG A 109 11.179 2.036 -5.915 1.00 0.00 H new ATOM 0 HD2 ARG A 109 12.117 4.837 -5.274 1.00 0.00 H new ATOM 0 HD3 ARG A 109 13.209 3.711 -6.055 1.00 0.00 H new ATOM 0 HE ARG A 109 11.048 5.128 -7.302 1.00 0.00 H new ATOM 0 HH11 ARG A 109 12.632 1.967 -7.265 1.00 0.00 H new ATOM 0 HH12 ARG A 109 12.192 1.601 -8.937 1.00 0.00 H new ATOM 0 HH21 ARG A 109 10.484 4.643 -9.443 1.00 0.00 H new ATOM 0 HH22 ARG A 109 10.982 3.108 -10.162 1.00 0.00 H new ATOM 1823 N LEU A 110 8.322 4.558 -2.473 1.00 0.00 N ATOM 1824 CA LEU A 110 7.170 5.402 -2.173 1.00 0.00 C ATOM 1825 C LEU A 110 7.488 6.393 -1.055 1.00 0.00 C ATOM 1826 O LEU A 110 7.048 7.542 -1.093 1.00 0.00 O ATOM 1827 CB LEU A 110 5.964 4.538 -1.789 1.00 0.00 C ATOM 1828 CG LEU A 110 6.013 3.935 -0.383 1.00 0.00 C ATOM 1829 CD1 LEU A 110 5.492 4.930 0.643 1.00 0.00 C ATOM 1830 CD2 LEU A 110 5.212 2.642 -0.331 1.00 0.00 C ATOM 0 H LEU A 110 8.160 3.559 -2.343 1.00 0.00 H new ATOM 0 HA LEU A 110 6.927 5.972 -3.070 1.00 0.00 H new ATOM 0 HB2 LEU A 110 5.062 5.143 -1.876 1.00 0.00 H new ATOM 0 HB3 LEU A 110 5.874 3.727 -2.512 1.00 0.00 H new ATOM 0 HG LEU A 110 7.051 3.706 -0.141 1.00 0.00 H new ATOM 0 HD11 LEU A 110 5.534 4.484 1.637 1.00 0.00 H new ATOM 0 HD12 LEU A 110 6.107 5.830 0.623 1.00 0.00 H new ATOM 0 HD13 LEU A 110 4.460 5.191 0.406 1.00 0.00 H new ATOM 0 HD21 LEU A 110 5.257 2.226 0.676 1.00 0.00 H new ATOM 0 HD22 LEU A 110 4.174 2.846 -0.593 1.00 0.00 H new ATOM 0 HD23 LEU A 110 5.630 1.926 -1.038 1.00 0.00 H new ATOM 1842 N VAL A 111 8.254 5.946 -0.065 1.00 0.00 N ATOM 1843 CA VAL A 111 8.625 6.802 1.055 1.00 0.00 C ATOM 1844 C VAL A 111 9.636 7.858 0.623 1.00 0.00 C ATOM 1845 O VAL A 111 9.530 9.026 0.998 1.00 0.00 O ATOM 1846 CB VAL A 111 9.208 5.983 2.227 1.00 0.00 C ATOM 1847 CG1 VAL A 111 10.590 5.447 1.884 1.00 0.00 C ATOM 1848 CG2 VAL A 111 9.254 6.825 3.494 1.00 0.00 C ATOM 0 H VAL A 111 8.629 4.999 -0.016 1.00 0.00 H new ATOM 0 HA VAL A 111 7.714 7.295 1.394 1.00 0.00 H new ATOM 0 HB VAL A 111 8.553 5.130 2.404 1.00 0.00 H new ATOM 0 HG11 VAL A 111 10.977 4.874 2.726 1.00 0.00 H new ATOM 0 HG12 VAL A 111 10.523 4.803 1.007 1.00 0.00 H new ATOM 0 HG13 VAL A 111 11.261 6.280 1.672 1.00 0.00 H new ATOM 0 HG21 VAL A 111 9.667 6.232 4.310 1.00 0.00 H new ATOM 0 HG22 VAL A 111 9.882 7.700 3.327 1.00 0.00 H new ATOM 0 HG23 VAL A 111 8.245 7.147 3.754 1.00 0.00 H new ATOM 1858 N LYS A 112 10.614 7.439 -0.172 1.00 0.00 N ATOM 1859 CA LYS A 112 11.643 8.347 -0.662 1.00 0.00 C ATOM 1860 C LYS A 112 11.022 9.462 -1.496 1.00 0.00 C ATOM 1861 O LYS A 112 11.553 10.571 -1.562 1.00 0.00 O ATOM 1862 CB LYS A 112 12.675 7.583 -1.494 1.00 0.00 C ATOM 1863 CG LYS A 112 13.862 7.086 -0.685 1.00 0.00 C ATOM 1864 CD LYS A 112 15.100 6.929 -1.552 1.00 0.00 C ATOM 1865 CE LYS A 112 14.938 5.798 -2.555 1.00 0.00 C ATOM 1866 NZ LYS A 112 15.971 5.853 -3.626 1.00 0.00 N ATOM 0 H LYS A 112 10.716 6.475 -0.491 1.00 0.00 H new ATOM 0 HA LYS A 112 12.143 8.793 0.198 1.00 0.00 H new ATOM 0 HB2 LYS A 112 12.188 6.732 -1.969 1.00 0.00 H new ATOM 0 HB3 LYS A 112 13.036 8.230 -2.293 1.00 0.00 H new ATOM 0 HG2 LYS A 112 14.070 7.785 0.125 1.00 0.00 H new ATOM 0 HG3 LYS A 112 13.615 6.129 -0.225 1.00 0.00 H new ATOM 0 HD2 LYS A 112 15.295 7.861 -2.082 1.00 0.00 H new ATOM 0 HD3 LYS A 112 15.966 6.735 -0.920 1.00 0.00 H new ATOM 0 HE2 LYS A 112 15.003 4.841 -2.037 1.00 0.00 H new ATOM 0 HE3 LYS A 112 13.946 5.850 -3.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 15.826 5.065 -4.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 15.893 6.755 -4.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 16.917 5.777 -3.200 1.00 0.00 H new ATOM 1880 N LYS A 113 9.895 9.159 -2.133 1.00 0.00 N ATOM 1881 CA LYS A 113 9.198 10.136 -2.962 1.00 0.00 C ATOM 1882 C LYS A 113 8.495 11.186 -2.106 1.00 0.00 C ATOM 1883 O LYS A 113 8.165 12.271 -2.588 1.00 0.00 O ATOM 1884 CB LYS A 113 8.181 9.433 -3.864 1.00 0.00 C ATOM 1885 CG LYS A 113 8.793 8.832 -5.119 1.00 0.00 C ATOM 1886 CD LYS A 113 7.726 8.278 -6.049 1.00 0.00 C ATOM 1887 CE LYS A 113 7.302 9.305 -7.086 1.00 0.00 C ATOM 1888 NZ LYS A 113 7.887 9.016 -8.425 1.00 0.00 N ATOM 0 H LYS A 113 9.445 8.245 -2.091 1.00 0.00 H new ATOM 0 HA LYS A 113 9.940 10.642 -3.580 1.00 0.00 H new ATOM 0 HB2 LYS A 113 7.689 8.643 -3.296 1.00 0.00 H new ATOM 0 HB3 LYS A 113 7.409 10.147 -4.152 1.00 0.00 H new ATOM 0 HG2 LYS A 113 9.374 9.592 -5.642 1.00 0.00 H new ATOM 0 HG3 LYS A 113 9.485 8.036 -4.843 1.00 0.00 H new ATOM 0 HD2 LYS A 113 8.106 7.388 -6.551 1.00 0.00 H new ATOM 0 HD3 LYS A 113 6.859 7.969 -5.466 1.00 0.00 H new ATOM 0 HE2 LYS A 113 6.215 9.319 -7.160 1.00 0.00 H new ATOM 0 HE3 LYS A 113 7.612 10.298 -6.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 7.868 9.879 -9.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 8.870 8.695 -8.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 7.332 8.272 -8.893 1.00 0.00 H new ATOM 1902 N ILE A 114 8.268 10.862 -0.836 1.00 0.00 N ATOM 1903 CA ILE A 114 7.602 11.783 0.080 1.00 0.00 C ATOM 1904 C ILE A 114 8.355 13.111 0.167 1.00 0.00 C ATOM 1905 O ILE A 114 9.573 13.131 0.342 1.00 0.00 O ATOM 1906 CB ILE A 114 7.478 11.180 1.494 1.00 0.00 C ATOM 1907 CG1 ILE A 114 6.769 9.826 1.438 1.00 0.00 C ATOM 1908 CG2 ILE A 114 6.732 12.132 2.417 1.00 0.00 C ATOM 1909 CD1 ILE A 114 6.664 9.143 2.783 1.00 0.00 C ATOM 0 H ILE A 114 8.535 9.970 -0.418 1.00 0.00 H new ATOM 0 HA ILE A 114 6.603 11.960 -0.318 1.00 0.00 H new ATOM 0 HB ILE A 114 8.481 11.029 1.892 1.00 0.00 H new ATOM 0 HG12 ILE A 114 5.767 9.966 1.032 1.00 0.00 H new ATOM 0 HG13 ILE A 114 7.304 9.173 0.749 1.00 0.00 H new ATOM 0 HG21 ILE A 114 6.654 11.690 3.410 1.00 0.00 H new ATOM 0 HG22 ILE A 114 7.274 13.076 2.481 1.00 0.00 H new ATOM 0 HG23 ILE A 114 5.733 12.314 2.022 1.00 0.00 H new ATOM 0 HD11 ILE A 114 6.150 8.189 2.667 1.00 0.00 H new ATOM 0 HD12 ILE A 114 7.663 8.971 3.183 1.00 0.00 H new ATOM 0 HD13 ILE A 114 6.103 9.776 3.470 1.00 0.00 H new ATOM 1921 N PRO A 115 7.637 14.243 0.045 1.00 0.00 N ATOM 1922 CA PRO A 115 8.245 15.573 0.111 1.00 0.00 C ATOM 1923 C PRO A 115 8.559 15.997 1.542 1.00 0.00 C ATOM 1924 O PRO A 115 9.583 16.629 1.804 1.00 0.00 O ATOM 1925 CB PRO A 115 7.167 16.475 -0.485 1.00 0.00 C ATOM 1926 CG PRO A 115 5.885 15.792 -0.155 1.00 0.00 C ATOM 1927 CD PRO A 115 6.178 14.314 -0.168 1.00 0.00 C ATOM 0 HA PRO A 115 9.200 15.614 -0.413 1.00 0.00 H new ATOM 0 HB2 PRO A 115 7.205 17.476 -0.056 1.00 0.00 H new ATOM 0 HB3 PRO A 115 7.292 16.585 -1.562 1.00 0.00 H new ATOM 0 HG2 PRO A 115 5.517 16.107 0.821 1.00 0.00 H new ATOM 0 HG3 PRO A 115 5.113 16.042 -0.883 1.00 0.00 H new ATOM 0 HD2 PRO A 115 5.633 13.791 0.618 1.00 0.00 H new ATOM 0 HD3 PRO A 115 5.889 13.857 -1.114 1.00 0.00 H new