USER MOD reduce.3.24.130724 H: found=0, std=0, add=877, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 877 hydrogens (5 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 96 TYR OH : rot 180:sc= 0.187 USER MOD Set 1.2: A 97 ASN : amide:sc= -6.64! C(o=-6.5!,f=-4.5!) USER MOD Set 2.1: A 81 LYS NZ :NH3+ -170:sc= -10.2! (180deg=-10.9!) USER MOD Set 2.2: A 93 TYR OH : rot 156:sc= -12.4! USER MOD Set 2.3: A 94 HIS : no HD1:sc= -36.7! C(o=-59!,f=-54!) USER MOD Set 3.1: A 92 GLN : amide:sc= -5.85! C(o=-16!,f=-11!) USER MOD Set 3.2: A 95 GLN : amide:sc= -9.77! C(o=-16!,f=-14!) USER MOD Set 4.1: A 62 LYS NZ :NH3+ 158:sc= -2.32! (180deg=-2.75!) USER MOD Set 4.2: A 64 TYR OH : rot -30:sc= -5.65! USER MOD Set 5.1: A 51 THR OG1 : rot 156:sc= 1.06 USER MOD Set 5.2: A 60 CYS SG : rot 12:sc= -4.46! USER MOD Set 6.1: A 39 SER OG : rot 128:sc= 0.115 USER MOD Set 6.2: A 44 THR OG1 : rot -154:sc= -2.6! USER MOD Set 6.3: A 46 THR OG1 : rot 95:sc= -0.659 USER MOD Set 6.4: A 65 HIS : no HE2:sc= -31.9! C(o=-35!,f=-42!) USER MOD Set 7.1: A 13 ASN : amide:sc= -36.7! C(o=-65!,f=-75!) USER MOD Set 7.2: A 35 MET CE :methyl -109:sc= -28.5! (180deg=-28.4!) USER MOD Set 8.1: A 4 ASN : amide:sc= -6.38! C(o=-11!,f=-9.8!) USER MOD Set 8.2: A 86 SER OG : rot 65:sc= -4.55! USER MOD Single : A 5 ASN : amide:sc= -2.32 K(o=-2.3,f=-0.88) USER MOD Single : A 8 THR OG1 : rot -87:sc= 1.03 USER MOD Single : A 9 TYR OH : rot 150:sc= -5.35! USER MOD Single : A 12 TYR OH : rot 180:sc= -3.13! USER MOD Single : A 14 LYS NZ :NH3+ 145:sc= 0.0354 (180deg=0) USER MOD Single : A 15 SER OG : rot 54:sc= 0.931 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ -129:sc= 0.509 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 150:sc= -6.15! USER MOD Single : A 30 LYS NZ :NH3+ -133:sc= -11.7! (180deg=-14.3!) USER MOD Single : A 41 THR OG1 : rot -164:sc= -6.43! USER MOD Single : A 45 TYR OH : rot -11:sc= -1.01 USER MOD Single : A 48 SER OG : rot 92:sc= -10.1! USER MOD Single : A 52 LYS NZ :NH3+ 161:sc= -0.199 (180deg=-0.811) USER MOD Single : A 56 SER OG : rot 180:sc= -2.66! USER MOD Single : A 58 ASN : amide:sc= -7.51! C(o=-7.5!,f=-6.2!) USER MOD Single : A 63 HIS : no HD1:sc= -5.68! C(o=-5.7!,f=-7.9!) USER MOD Single : A 67 LYS NZ :NH3+ -146:sc= -1.88! (180deg=-2.98!) USER MOD Single : A 69 THR OG1 : rot -114:sc= 0.127 USER MOD Single : A 70 ASN : amide:sc= -3.49! C(o=-3.5!,f=-5.9!) USER MOD Single : A 72 SER OG : rot 3:sc= 0.841! USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot 130:sc= -2.47! USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 103 THR OG1 : rot 0:sc= -6.86! USER MOD Single : A 107 TYR OH : rot -85:sc= 0.255 USER MOD Single : A 110 CYS SG : rot -38:sc= 0.666! USER MOD ----------------------------------------------------------------- HETATM 1 C ACE A 3 -14.179 7.551 2.441 1.00 0.00 C HETATM 2 O ACE A 3 -14.471 6.419 2.828 1.00 0.00 O HETATM 3 CH3 ACE A 3 -14.949 8.208 1.323 1.00 0.00 C HETATM 0 H1 ACE A 3 -15.401 9.131 1.686 1.00 0.00 H new HETATM 0 H2 ACE A 3 -14.272 8.434 0.499 1.00 0.00 H new HETATM 0 H3 ACE A 3 -15.731 7.534 0.975 1.00 0.00 H new ATOM 7 N ASN A 4 -13.185 8.261 2.965 1.00 0.00 N ATOM 8 CA ASN A 4 -12.362 7.738 4.050 1.00 0.00 C ATOM 9 C ASN A 4 -11.063 8.527 4.175 1.00 0.00 C ATOM 10 O ASN A 4 -10.714 9.312 3.294 1.00 0.00 O ATOM 11 CB ASN A 4 -12.053 6.258 3.817 1.00 0.00 C ATOM 12 CG ASN A 4 -11.084 5.701 4.842 1.00 0.00 C ATOM 13 OD1 ASN A 4 -9.973 5.293 4.504 1.00 0.00 O ATOM 14 ND2 ASN A 4 -11.502 5.682 6.102 1.00 0.00 N ATOM 0 H ASN A 4 -12.930 9.199 2.656 1.00 0.00 H new ATOM 0 HA ASN A 4 -12.921 7.843 4.980 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -12.981 5.686 3.850 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -11.635 6.130 2.819 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -10.894 5.319 6.836 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -12.431 6.031 6.336 1.00 0.00 H new ATOM 21 N ASN A 5 -10.350 8.313 5.276 1.00 0.00 N ATOM 22 CA ASN A 5 -9.089 9.005 5.516 1.00 0.00 C ATOM 23 C ASN A 5 -8.085 8.083 6.201 1.00 0.00 C ATOM 24 O ASN A 5 -8.463 7.094 6.829 1.00 0.00 O ATOM 25 CB ASN A 5 -9.321 10.250 6.374 1.00 0.00 C ATOM 26 CG ASN A 5 -10.196 11.274 5.678 1.00 0.00 C ATOM 27 OD1 ASN A 5 -9.722 12.326 5.251 1.00 0.00 O ATOM 28 ND2 ASN A 5 -11.484 10.970 5.562 1.00 0.00 N ATOM 0 H ASN A 5 -10.624 7.666 6.016 1.00 0.00 H new ATOM 0 HA ASN A 5 -8.680 9.307 4.552 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -9.786 9.958 7.316 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -8.361 10.703 6.620 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -12.122 11.621 5.104 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -11.835 10.086 5.931 1.00 0.00 H new ATOM 35 N LEU A 6 -6.804 8.412 6.072 1.00 0.00 N ATOM 36 CA LEU A 6 -5.745 7.613 6.677 1.00 0.00 C ATOM 37 C LEU A 6 -4.748 8.497 7.417 1.00 0.00 C ATOM 38 O LEU A 6 -4.841 8.676 8.631 1.00 0.00 O ATOM 39 CB LEU A 6 -5.021 6.791 5.610 1.00 0.00 C ATOM 40 CG LEU A 6 -5.739 6.696 4.263 1.00 0.00 C ATOM 41 CD1 LEU A 6 -4.800 6.157 3.195 1.00 0.00 C ATOM 42 CD2 LEU A 6 -6.973 5.816 4.380 1.00 0.00 C ATOM 0 H LEU A 6 -6.474 9.226 5.554 1.00 0.00 H new ATOM 0 HA LEU A 6 -6.205 6.936 7.396 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -4.034 7.224 5.448 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -4.867 5.782 5.994 1.00 0.00 H new ATOM 0 HG LEU A 6 -6.055 7.697 3.969 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -5.328 6.096 2.243 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -3.944 6.824 3.093 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -4.454 5.164 3.482 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -7.472 5.759 3.413 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -6.678 4.815 4.695 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -7.655 6.242 5.116 1.00 0.00 H new ATOM 54 N GLU A 7 -3.793 9.043 6.676 1.00 0.00 N ATOM 55 CA GLU A 7 -2.771 9.905 7.252 1.00 0.00 C ATOM 56 C GLU A 7 -2.523 9.567 8.714 1.00 0.00 C ATOM 57 O GLU A 7 -2.197 10.440 9.519 1.00 0.00 O ATOM 58 CB GLU A 7 -3.165 11.376 7.110 1.00 0.00 C ATOM 59 CG GLU A 7 -4.668 11.602 7.065 1.00 0.00 C ATOM 60 CD GLU A 7 -5.037 13.072 7.087 1.00 0.00 C ATOM 61 OE1 GLU A 7 -4.557 13.818 6.208 1.00 0.00 O ATOM 62 OE2 GLU A 7 -5.806 13.477 7.985 1.00 0.00 O ATOM 0 H GLU A 7 -3.705 8.903 5.669 1.00 0.00 H new ATOM 0 HA GLU A 7 -1.845 9.734 6.703 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -2.746 11.938 7.945 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -2.718 11.777 6.200 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -5.074 11.143 6.164 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -5.133 11.102 7.915 1.00 0.00 H new ATOM 69 N THR A 8 -2.682 8.296 9.052 1.00 0.00 N ATOM 70 CA THR A 8 -2.480 7.836 10.406 1.00 0.00 C ATOM 71 C THR A 8 -1.843 6.453 10.414 1.00 0.00 C ATOM 72 O THR A 8 -1.735 5.814 11.461 1.00 0.00 O ATOM 73 CB THR A 8 -3.818 7.804 11.127 1.00 0.00 C ATOM 74 OG1 THR A 8 -4.756 7.021 10.410 1.00 0.00 O ATOM 75 CG2 THR A 8 -4.418 9.178 11.322 1.00 0.00 C ATOM 0 H THR A 8 -2.953 7.564 8.396 1.00 0.00 H new ATOM 0 HA THR A 8 -1.805 8.521 10.920 1.00 0.00 H new ATOM 0 HB THR A 8 -3.612 7.370 12.106 1.00 0.00 H new ATOM 0 HG1 THR A 8 -5.208 7.580 9.744 1.00 0.00 H new ATOM 0 HG21 THR A 8 -5.372 9.088 11.842 1.00 0.00 H new ATOM 0 HG22 THR A 8 -3.738 9.791 11.914 1.00 0.00 H new ATOM 0 HG23 THR A 8 -4.577 9.647 10.351 1.00 0.00 H new ATOM 83 N TYR A 9 -1.435 5.988 9.237 1.00 0.00 N ATOM 84 CA TYR A 9 -0.824 4.674 9.109 1.00 0.00 C ATOM 85 C TYR A 9 0.650 4.764 8.768 1.00 0.00 C ATOM 86 O TYR A 9 1.073 5.613 7.985 1.00 0.00 O ATOM 87 CB TYR A 9 -1.544 3.872 8.037 1.00 0.00 C ATOM 88 CG TYR A 9 -3.020 3.818 8.296 1.00 0.00 C ATOM 89 CD1 TYR A 9 -3.545 2.880 9.167 1.00 0.00 C ATOM 90 CD2 TYR A 9 -3.886 4.724 7.696 1.00 0.00 C ATOM 91 CE1 TYR A 9 -4.893 2.835 9.437 1.00 0.00 C ATOM 92 CE2 TYR A 9 -5.240 4.683 7.958 1.00 0.00 C ATOM 93 CZ TYR A 9 -5.739 3.737 8.830 1.00 0.00 C ATOM 94 OH TYR A 9 -7.088 3.697 9.097 1.00 0.00 O ATOM 0 H TYR A 9 -1.517 6.503 8.360 1.00 0.00 H new ATOM 0 HA TYR A 9 -0.914 4.175 10.074 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -1.360 4.319 7.060 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -1.141 2.860 8.005 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -2.885 2.170 9.643 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -3.495 5.468 7.018 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -5.286 2.097 10.121 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -5.906 5.388 7.483 1.00 0.00 H new ATOM 0 HH TYR A 9 -7.464 4.598 9.017 1.00 0.00 H new ATOM 104 N GLU A 10 1.422 3.860 9.346 1.00 0.00 N ATOM 105 CA GLU A 10 2.846 3.807 9.089 1.00 0.00 C ATOM 106 C GLU A 10 3.091 3.668 7.596 1.00 0.00 C ATOM 107 O GLU A 10 4.208 3.852 7.120 1.00 0.00 O ATOM 108 CB GLU A 10 3.466 2.618 9.821 1.00 0.00 C ATOM 109 CG GLU A 10 4.588 1.948 9.047 1.00 0.00 C ATOM 110 CD GLU A 10 5.616 1.299 9.953 1.00 0.00 C ATOM 111 OE1 GLU A 10 6.413 2.037 10.569 1.00 0.00 O ATOM 112 OE2 GLU A 10 5.623 0.054 10.047 1.00 0.00 O ATOM 0 H GLU A 10 1.083 3.152 9.998 1.00 0.00 H new ATOM 0 HA GLU A 10 3.306 4.727 9.449 1.00 0.00 H new ATOM 0 HB2 GLU A 10 3.850 2.955 10.784 1.00 0.00 H new ATOM 0 HB3 GLU A 10 2.688 1.883 10.027 1.00 0.00 H new ATOM 0 HG2 GLU A 10 4.166 1.193 8.383 1.00 0.00 H new ATOM 0 HG3 GLU A 10 5.081 2.688 8.416 1.00 0.00 H new ATOM 119 N TRP A 11 2.039 3.300 6.869 1.00 0.00 N ATOM 120 CA TRP A 11 2.140 3.087 5.435 1.00 0.00 C ATOM 121 C TRP A 11 1.657 4.272 4.601 1.00 0.00 C ATOM 122 O TRP A 11 2.169 4.508 3.508 1.00 0.00 O ATOM 123 CB TRP A 11 1.328 1.857 5.054 1.00 0.00 C ATOM 124 CG TRP A 11 0.027 1.734 5.803 1.00 0.00 C ATOM 125 CD1 TRP A 11 -0.219 1.001 6.935 1.00 0.00 C ATOM 126 CD2 TRP A 11 -1.219 2.341 5.447 1.00 0.00 C ATOM 127 NE1 TRP A 11 -1.546 1.116 7.292 1.00 0.00 N ATOM 128 CE2 TRP A 11 -2.176 1.936 6.395 1.00 0.00 C ATOM 129 CE3 TRP A 11 -1.615 3.190 4.416 1.00 0.00 C ATOM 130 CZ2 TRP A 11 -3.505 2.351 6.334 1.00 0.00 C ATOM 131 CZ3 TRP A 11 -2.929 3.600 4.357 1.00 0.00 C ATOM 132 CH2 TRP A 11 -3.862 3.181 5.310 1.00 0.00 C ATOM 0 H TRP A 11 1.107 3.144 7.254 1.00 0.00 H new ATOM 0 HA TRP A 11 3.199 2.955 5.215 1.00 0.00 H new ATOM 0 HB2 TRP A 11 1.120 1.887 3.984 1.00 0.00 H new ATOM 0 HB3 TRP A 11 1.928 0.966 5.237 1.00 0.00 H new ATOM 0 HD1 TRP A 11 0.518 0.419 7.469 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -1.986 0.664 8.093 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -0.903 3.522 3.675 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -4.226 2.028 7.070 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -3.244 4.257 3.560 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -4.885 3.520 5.235 1.00 0.00 H new ATOM 143 N TYR A 12 0.644 4.986 5.075 1.00 0.00 N ATOM 144 CA TYR A 12 0.096 6.099 4.303 1.00 0.00 C ATOM 145 C TYR A 12 1.109 7.198 4.024 1.00 0.00 C ATOM 146 O TYR A 12 1.921 7.559 4.877 1.00 0.00 O ATOM 147 CB TYR A 12 -1.120 6.713 4.980 1.00 0.00 C ATOM 148 CG TYR A 12 -1.749 7.794 4.130 1.00 0.00 C ATOM 149 CD1 TYR A 12 -2.443 7.472 2.972 1.00 0.00 C ATOM 150 CD2 TYR A 12 -1.635 9.136 4.476 1.00 0.00 C ATOM 151 CE1 TYR A 12 -3.009 8.453 2.184 1.00 0.00 C ATOM 152 CE2 TYR A 12 -2.200 10.126 3.691 1.00 0.00 C ATOM 153 CZ TYR A 12 -2.887 9.778 2.549 1.00 0.00 C ATOM 154 OH TYR A 12 -3.451 10.758 1.764 1.00 0.00 O ATOM 0 H TYR A 12 0.190 4.821 5.974 1.00 0.00 H new ATOM 0 HA TYR A 12 -0.196 5.659 3.350 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -1.856 5.934 5.181 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -0.827 7.132 5.943 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -2.542 6.436 2.683 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -1.097 9.410 5.371 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -3.545 8.185 1.286 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -2.103 11.164 3.972 1.00 0.00 H new ATOM 0 HH TYR A 12 -3.275 11.637 2.161 1.00 0.00 H new ATOM 164 N ASN A 13 1.026 7.731 2.809 1.00 0.00 N ATOM 165 CA ASN A 13 1.889 8.801 2.355 1.00 0.00 C ATOM 166 C ASN A 13 1.039 9.926 1.771 1.00 0.00 C ATOM 167 O ASN A 13 0.514 9.807 0.664 1.00 0.00 O ATOM 168 CB ASN A 13 2.838 8.248 1.308 1.00 0.00 C ATOM 169 CG ASN A 13 3.266 6.843 1.637 1.00 0.00 C ATOM 170 OD1 ASN A 13 3.061 5.912 0.859 1.00 0.00 O ATOM 171 ND2 ASN A 13 3.870 6.688 2.799 1.00 0.00 N ATOM 0 H ASN A 13 0.349 7.425 2.110 1.00 0.00 H new ATOM 0 HA ASN A 13 2.467 9.203 3.187 1.00 0.00 H new ATOM 0 HB2 ASN A 13 2.353 8.262 0.332 1.00 0.00 H new ATOM 0 HB3 ASN A 13 3.716 8.890 1.237 1.00 0.00 H new ATOM 0 HD21 ASN A 13 4.191 5.764 3.088 1.00 0.00 H new ATOM 0 HD22 ASN A 13 4.016 7.492 3.409 1.00 0.00 H new ATOM 178 N LYS A 14 0.878 11.001 2.533 1.00 0.00 N ATOM 179 CA LYS A 14 0.062 12.125 2.112 1.00 0.00 C ATOM 180 C LYS A 14 0.624 12.823 0.870 1.00 0.00 C ATOM 181 O LYS A 14 0.273 12.473 -0.257 1.00 0.00 O ATOM 182 CB LYS A 14 -0.072 13.105 3.273 1.00 0.00 C ATOM 183 CG LYS A 14 -0.031 12.436 4.638 1.00 0.00 C ATOM 184 CD LYS A 14 -0.637 13.323 5.715 1.00 0.00 C ATOM 185 CE LYS A 14 -1.447 14.460 5.114 1.00 0.00 C ATOM 186 NZ LYS A 14 -1.832 15.470 6.137 1.00 0.00 N ATOM 0 H LYS A 14 1.307 11.115 3.452 1.00 0.00 H new ATOM 0 HA LYS A 14 -0.921 11.747 1.831 1.00 0.00 H new ATOM 0 HB2 LYS A 14 0.731 13.840 3.213 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -1.011 13.650 3.172 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -0.573 11.491 4.597 1.00 0.00 H new ATOM 0 HG3 LYS A 14 1.001 12.201 4.898 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -1.276 12.724 6.364 1.00 0.00 H new ATOM 0 HD3 LYS A 14 0.157 13.732 6.340 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -0.867 14.943 4.328 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -2.345 14.058 4.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -1.825 16.418 5.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -2.786 15.258 6.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -1.154 15.441 6.925 1.00 0.00 H new ATOM 200 N SER A 15 1.480 13.823 1.076 1.00 0.00 N ATOM 201 CA SER A 15 2.065 14.575 -0.033 1.00 0.00 C ATOM 202 C SER A 15 3.036 13.721 -0.845 1.00 0.00 C ATOM 203 O SER A 15 3.748 14.229 -1.711 1.00 0.00 O ATOM 204 CB SER A 15 2.784 15.818 0.493 1.00 0.00 C ATOM 205 OG SER A 15 4.104 15.899 -0.017 1.00 0.00 O ATOM 0 H SER A 15 1.784 14.131 2.000 1.00 0.00 H new ATOM 0 HA SER A 15 1.250 14.876 -0.692 1.00 0.00 H new ATOM 0 HB2 SER A 15 2.226 16.711 0.211 1.00 0.00 H new ATOM 0 HB3 SER A 15 2.813 15.791 1.582 1.00 0.00 H new ATOM 0 HG SER A 15 4.081 15.843 -0.995 1.00 0.00 H new ATOM 211 N ILE A 16 3.070 12.429 -0.553 1.00 0.00 N ATOM 212 CA ILE A 16 3.957 11.506 -1.238 1.00 0.00 C ATOM 213 C ILE A 16 3.679 11.416 -2.733 1.00 0.00 C ATOM 214 O ILE A 16 2.633 11.847 -3.219 1.00 0.00 O ATOM 215 CB ILE A 16 3.826 10.100 -0.645 1.00 0.00 C ATOM 216 CG1 ILE A 16 5.135 9.683 -0.007 1.00 0.00 C ATOM 217 CG2 ILE A 16 3.414 9.102 -1.716 1.00 0.00 C ATOM 218 CD1 ILE A 16 5.338 8.186 0.004 1.00 0.00 C ATOM 0 H ILE A 16 2.486 11.995 0.162 1.00 0.00 H new ATOM 0 HA ILE A 16 4.965 11.897 -1.098 1.00 0.00 H new ATOM 0 HB ILE A 16 3.050 10.115 0.121 1.00 0.00 H new ATOM 0 HG12 ILE A 16 5.960 10.152 -0.544 1.00 0.00 H new ATOM 0 HG13 ILE A 16 5.168 10.056 1.017 1.00 0.00 H new ATOM 0 HG21 ILE A 16 3.327 8.109 -1.274 1.00 0.00 H new ATOM 0 HG22 ILE A 16 2.453 9.397 -2.138 1.00 0.00 H new ATOM 0 HG23 ILE A 16 4.166 9.083 -2.504 1.00 0.00 H new ATOM 0 HD11 ILE A 16 6.293 7.952 0.474 1.00 0.00 H new ATOM 0 HD12 ILE A 16 4.532 7.714 0.565 1.00 0.00 H new ATOM 0 HD13 ILE A 16 5.335 7.811 -1.019 1.00 0.00 H new ATOM 230 N SER A 17 4.630 10.818 -3.444 1.00 0.00 N ATOM 231 CA SER A 17 4.522 10.616 -4.882 1.00 0.00 C ATOM 232 C SER A 17 4.718 9.138 -5.209 1.00 0.00 C ATOM 233 O SER A 17 4.693 8.291 -4.315 1.00 0.00 O ATOM 234 CB SER A 17 5.560 11.462 -5.622 1.00 0.00 C ATOM 235 OG SER A 17 4.978 12.646 -6.141 1.00 0.00 O ATOM 0 H SER A 17 5.495 10.461 -3.039 1.00 0.00 H new ATOM 0 HA SER A 17 3.530 10.928 -5.208 1.00 0.00 H new ATOM 0 HB2 SER A 17 6.373 11.720 -4.944 1.00 0.00 H new ATOM 0 HB3 SER A 17 5.995 10.880 -6.435 1.00 0.00 H new ATOM 0 HG SER A 17 5.662 13.170 -6.608 1.00 0.00 H new ATOM 241 N ARG A 18 4.919 8.828 -6.484 1.00 0.00 N ATOM 242 CA ARG A 18 5.126 7.446 -6.905 1.00 0.00 C ATOM 243 C ARG A 18 6.520 6.961 -6.520 1.00 0.00 C ATOM 244 O ARG A 18 6.672 5.938 -5.852 1.00 0.00 O ATOM 245 CB ARG A 18 4.925 7.311 -8.416 1.00 0.00 C ATOM 246 CG ARG A 18 5.022 8.629 -9.164 1.00 0.00 C ATOM 247 CD ARG A 18 4.659 8.462 -10.630 1.00 0.00 C ATOM 248 NE ARG A 18 5.016 7.139 -11.135 1.00 0.00 N ATOM 249 CZ ARG A 18 6.260 6.775 -11.428 1.00 0.00 C ATOM 250 NH1 ARG A 18 7.260 7.630 -11.264 1.00 0.00 N ATOM 251 NH2 ARG A 18 6.506 5.553 -11.883 1.00 0.00 N ATOM 0 H ARG A 18 4.943 9.510 -7.242 1.00 0.00 H new ATOM 0 HA ARG A 18 4.391 6.825 -6.393 1.00 0.00 H new ATOM 0 HB2 ARG A 18 5.671 6.622 -8.813 1.00 0.00 H new ATOM 0 HB3 ARG A 18 3.948 6.867 -8.606 1.00 0.00 H new ATOM 0 HG2 ARG A 18 4.357 9.360 -8.704 1.00 0.00 H new ATOM 0 HG3 ARG A 18 6.035 9.023 -9.081 1.00 0.00 H new ATOM 0 HD2 ARG A 18 3.589 8.623 -10.759 1.00 0.00 H new ATOM 0 HD3 ARG A 18 5.169 9.224 -11.219 1.00 0.00 H new ATOM 0 HE ARG A 18 4.270 6.457 -11.270 1.00 0.00 H new ATOM 0 HH11 ARG A 18 7.075 8.569 -10.912 1.00 0.00 H new ATOM 0 HH12 ARG A 18 8.214 7.348 -11.490 1.00 0.00 H new ATOM 0 HH21 ARG A 18 5.740 4.892 -12.008 1.00 0.00 H new ATOM 0 HH22 ARG A 18 7.461 5.275 -12.107 1.00 0.00 H new ATOM 265 N ASP A 19 7.536 7.697 -6.957 1.00 0.00 N ATOM 266 CA ASP A 19 8.923 7.344 -6.672 1.00 0.00 C ATOM 267 C ASP A 19 9.289 7.620 -5.215 1.00 0.00 C ATOM 268 O ASP A 19 10.182 6.978 -4.661 1.00 0.00 O ATOM 269 CB ASP A 19 9.862 8.123 -7.591 1.00 0.00 C ATOM 270 CG ASP A 19 10.153 7.384 -8.882 1.00 0.00 C ATOM 271 OD1 ASP A 19 9.373 7.543 -9.845 1.00 0.00 O ATOM 272 OD2 ASP A 19 11.159 6.646 -8.930 1.00 0.00 O ATOM 0 H ASP A 19 7.425 8.545 -7.512 1.00 0.00 H new ATOM 0 HA ASP A 19 9.033 6.275 -6.852 1.00 0.00 H new ATOM 0 HB2 ASP A 19 9.419 9.092 -7.822 1.00 0.00 H new ATOM 0 HB3 ASP A 19 10.798 8.318 -7.068 1.00 0.00 H new ATOM 277 N LYS A 20 8.610 8.584 -4.605 1.00 0.00 N ATOM 278 CA LYS A 20 8.880 8.948 -3.220 1.00 0.00 C ATOM 279 C LYS A 20 8.738 7.747 -2.291 1.00 0.00 C ATOM 280 O LYS A 20 9.603 7.497 -1.443 1.00 0.00 O ATOM 281 CB LYS A 20 7.936 10.066 -2.775 1.00 0.00 C ATOM 282 CG LYS A 20 8.401 10.795 -1.525 1.00 0.00 C ATOM 283 CD LYS A 20 8.160 9.963 -0.277 1.00 0.00 C ATOM 284 CE LYS A 20 7.509 10.786 0.824 1.00 0.00 C ATOM 285 NZ LYS A 20 8.518 11.393 1.734 1.00 0.00 N ATOM 0 H LYS A 20 7.869 9.127 -5.048 1.00 0.00 H new ATOM 0 HA LYS A 20 9.910 9.300 -3.162 1.00 0.00 H new ATOM 0 HB2 LYS A 20 7.831 10.786 -3.587 1.00 0.00 H new ATOM 0 HB3 LYS A 20 6.948 9.644 -2.593 1.00 0.00 H new ATOM 0 HG2 LYS A 20 9.463 11.026 -1.611 1.00 0.00 H new ATOM 0 HG3 LYS A 20 7.874 11.745 -1.438 1.00 0.00 H new ATOM 0 HD2 LYS A 20 7.523 9.113 -0.522 1.00 0.00 H new ATOM 0 HD3 LYS A 20 9.107 9.559 0.081 1.00 0.00 H new ATOM 0 HE2 LYS A 20 6.902 11.574 0.378 1.00 0.00 H new ATOM 0 HE3 LYS A 20 6.835 10.152 1.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 8.271 11.175 2.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 9.458 11.004 1.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 8.531 12.424 1.600 1.00 0.00 H new ATOM 299 N ALA A 21 7.653 6.996 -2.463 1.00 0.00 N ATOM 300 CA ALA A 21 7.410 5.822 -1.642 1.00 0.00 C ATOM 301 C ALA A 21 8.539 4.822 -1.832 1.00 0.00 C ATOM 302 O ALA A 21 9.195 4.407 -0.877 1.00 0.00 O ATOM 303 CB ALA A 21 6.055 5.210 -1.967 1.00 0.00 C ATOM 0 H ALA A 21 6.933 7.182 -3.161 1.00 0.00 H new ATOM 0 HA ALA A 21 7.387 6.115 -0.592 1.00 0.00 H new ATOM 0 HB1 ALA A 21 5.893 4.332 -1.341 1.00 0.00 H new ATOM 0 HB2 ALA A 21 5.270 5.942 -1.776 1.00 0.00 H new ATOM 0 HB3 ALA A 21 6.030 4.917 -3.017 1.00 0.00 H new ATOM 309 N GLU A 22 8.795 4.472 -3.079 1.00 0.00 N ATOM 310 CA GLU A 22 9.877 3.562 -3.390 1.00 0.00 C ATOM 311 C GLU A 22 11.170 4.118 -2.812 1.00 0.00 C ATOM 312 O GLU A 22 11.931 3.410 -2.142 1.00 0.00 O ATOM 313 CB GLU A 22 9.987 3.406 -4.902 1.00 0.00 C ATOM 314 CG GLU A 22 10.127 4.729 -5.633 1.00 0.00 C ATOM 315 CD GLU A 22 10.320 4.554 -7.127 1.00 0.00 C ATOM 316 OE1 GLU A 22 9.355 4.145 -7.805 1.00 0.00 O ATOM 317 OE2 GLU A 22 11.435 4.826 -7.617 1.00 0.00 O ATOM 0 H GLU A 22 8.270 4.803 -3.888 1.00 0.00 H new ATOM 0 HA GLU A 22 9.685 2.582 -2.953 1.00 0.00 H new ATOM 0 HB2 GLU A 22 10.847 2.778 -5.134 1.00 0.00 H new ATOM 0 HB3 GLU A 22 9.103 2.886 -5.272 1.00 0.00 H new ATOM 0 HG2 GLU A 22 9.238 5.334 -5.454 1.00 0.00 H new ATOM 0 HG3 GLU A 22 10.975 5.278 -5.223 1.00 0.00 H new ATOM 324 N LYS A 23 11.389 5.412 -3.046 1.00 0.00 N ATOM 325 CA LYS A 23 12.563 6.087 -2.524 1.00 0.00 C ATOM 326 C LYS A 23 12.624 5.888 -1.019 1.00 0.00 C ATOM 327 O LYS A 23 13.635 5.437 -0.483 1.00 0.00 O ATOM 328 CB LYS A 23 12.523 7.579 -2.863 1.00 0.00 C ATOM 329 CG LYS A 23 12.291 8.472 -1.656 1.00 0.00 C ATOM 330 CD LYS A 23 12.823 9.876 -1.890 1.00 0.00 C ATOM 331 CE LYS A 23 12.343 10.840 -0.818 1.00 0.00 C ATOM 332 NZ LYS A 23 12.538 12.261 -1.221 1.00 0.00 N ATOM 0 H LYS A 23 10.767 6.007 -3.593 1.00 0.00 H new ATOM 0 HA LYS A 23 13.455 5.662 -2.984 1.00 0.00 H new ATOM 0 HB2 LYS A 23 13.463 7.860 -3.337 1.00 0.00 H new ATOM 0 HB3 LYS A 23 11.733 7.756 -3.592 1.00 0.00 H new ATOM 0 HG2 LYS A 23 11.224 8.518 -1.436 1.00 0.00 H new ATOM 0 HG3 LYS A 23 12.778 8.038 -0.783 1.00 0.00 H new ATOM 0 HD2 LYS A 23 13.913 9.856 -1.901 1.00 0.00 H new ATOM 0 HD3 LYS A 23 12.501 10.230 -2.869 1.00 0.00 H new ATOM 0 HE2 LYS A 23 11.287 10.662 -0.616 1.00 0.00 H new ATOM 0 HE3 LYS A 23 12.882 10.649 0.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 12.198 12.887 -0.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 13.549 12.439 -1.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 12.003 12.451 -2.093 1.00 0.00 H new ATOM 346 N LEU A 24 11.520 6.201 -0.340 1.00 0.00 N ATOM 347 CA LEU A 24 11.459 6.018 1.104 1.00 0.00 C ATOM 348 C LEU A 24 11.684 4.553 1.445 1.00 0.00 C ATOM 349 O LEU A 24 12.478 4.226 2.328 1.00 0.00 O ATOM 350 CB LEU A 24 10.117 6.480 1.668 1.00 0.00 C ATOM 351 CG LEU A 24 8.915 6.263 0.753 1.00 0.00 C ATOM 352 CD1 LEU A 24 8.270 4.906 1.015 1.00 0.00 C ATOM 353 CD2 LEU A 24 7.917 7.395 0.938 1.00 0.00 C ATOM 0 H LEU A 24 10.670 6.576 -0.761 1.00 0.00 H new ATOM 0 HA LEU A 24 12.242 6.626 1.556 1.00 0.00 H new ATOM 0 HB2 LEU A 24 9.937 5.957 2.607 1.00 0.00 H new ATOM 0 HB3 LEU A 24 10.187 7.542 1.903 1.00 0.00 H new ATOM 0 HG LEU A 24 9.253 6.267 -0.283 1.00 0.00 H new ATOM 0 HD11 LEU A 24 7.416 4.775 0.351 1.00 0.00 H new ATOM 0 HD12 LEU A 24 8.998 4.116 0.831 1.00 0.00 H new ATOM 0 HD13 LEU A 24 7.935 4.856 2.051 1.00 0.00 H new ATOM 0 HD21 LEU A 24 7.061 7.236 0.283 1.00 0.00 H new ATOM 0 HD22 LEU A 24 7.581 7.418 1.975 1.00 0.00 H new ATOM 0 HD23 LEU A 24 8.393 8.344 0.689 1.00 0.00 H new ATOM 365 N LEU A 25 10.993 3.666 0.728 1.00 0.00 N ATOM 366 CA LEU A 25 11.149 2.236 0.959 1.00 0.00 C ATOM 367 C LEU A 25 12.614 1.854 0.808 1.00 0.00 C ATOM 368 O LEU A 25 13.158 1.093 1.606 1.00 0.00 O ATOM 369 CB LEU A 25 10.310 1.416 -0.024 1.00 0.00 C ATOM 370 CG LEU A 25 8.826 1.792 -0.120 1.00 0.00 C ATOM 371 CD1 LEU A 25 8.335 1.625 -1.547 1.00 0.00 C ATOM 372 CD2 LEU A 25 7.994 0.945 0.829 1.00 0.00 C ATOM 0 H LEU A 25 10.330 3.911 -0.007 1.00 0.00 H new ATOM 0 HA LEU A 25 10.804 2.017 1.969 1.00 0.00 H new ATOM 0 HB2 LEU A 25 10.753 1.511 -1.015 1.00 0.00 H new ATOM 0 HB3 LEU A 25 10.380 0.365 0.258 1.00 0.00 H new ATOM 0 HG LEU A 25 8.715 2.837 0.170 1.00 0.00 H new ATOM 0 HD11 LEU A 25 7.280 1.895 -1.603 1.00 0.00 H new ATOM 0 HD12 LEU A 25 8.911 2.273 -2.208 1.00 0.00 H new ATOM 0 HD13 LEU A 25 8.461 0.587 -1.856 1.00 0.00 H new ATOM 0 HD21 LEU A 25 6.945 1.228 0.745 1.00 0.00 H new ATOM 0 HD22 LEU A 25 8.107 -0.108 0.571 1.00 0.00 H new ATOM 0 HD23 LEU A 25 8.332 1.107 1.853 1.00 0.00 H new ATOM 384 N LEU A 26 13.245 2.394 -0.230 1.00 0.00 N ATOM 385 CA LEU A 26 14.651 2.116 -0.498 1.00 0.00 C ATOM 386 C LEU A 26 15.510 2.362 0.740 1.00 0.00 C ATOM 387 O LEU A 26 16.482 1.646 0.981 1.00 0.00 O ATOM 388 CB LEU A 26 15.148 2.990 -1.648 1.00 0.00 C ATOM 389 CG LEU A 26 14.880 2.434 -3.049 1.00 0.00 C ATOM 390 CD1 LEU A 26 13.763 1.403 -3.008 1.00 0.00 C ATOM 391 CD2 LEU A 26 14.534 3.559 -4.010 1.00 0.00 C ATOM 0 H LEU A 26 12.805 3.026 -0.899 1.00 0.00 H new ATOM 0 HA LEU A 26 14.738 1.065 -0.773 1.00 0.00 H new ATOM 0 HB2 LEU A 26 14.679 3.971 -1.567 1.00 0.00 H new ATOM 0 HB3 LEU A 26 16.222 3.139 -1.533 1.00 0.00 H new ATOM 0 HG LEU A 26 15.786 1.944 -3.405 1.00 0.00 H new ATOM 0 HD11 LEU A 26 13.586 1.018 -4.012 1.00 0.00 H new ATOM 0 HD12 LEU A 26 14.049 0.582 -2.350 1.00 0.00 H new ATOM 0 HD13 LEU A 26 12.852 1.868 -2.632 1.00 0.00 H new ATOM 0 HD21 LEU A 26 14.347 3.146 -5.001 1.00 0.00 H new ATOM 0 HD22 LEU A 26 13.642 4.077 -3.658 1.00 0.00 H new ATOM 0 HD23 LEU A 26 15.365 4.262 -4.061 1.00 0.00 H new ATOM 403 N ASP A 27 15.152 3.380 1.519 1.00 0.00 N ATOM 404 CA ASP A 27 15.905 3.714 2.725 1.00 0.00 C ATOM 405 C ASP A 27 15.670 2.683 3.826 1.00 0.00 C ATOM 406 O ASP A 27 16.619 2.167 4.416 1.00 0.00 O ATOM 407 CB ASP A 27 15.514 5.106 3.224 1.00 0.00 C ATOM 408 CG ASP A 27 16.296 6.207 2.535 1.00 0.00 C ATOM 409 OD1 ASP A 27 17.498 6.362 2.840 1.00 0.00 O ATOM 410 OD2 ASP A 27 15.708 6.916 1.691 1.00 0.00 O ATOM 0 H ASP A 27 14.350 3.984 1.338 1.00 0.00 H new ATOM 0 HA ASP A 27 16.965 3.707 2.471 1.00 0.00 H new ATOM 0 HB2 ASP A 27 14.448 5.262 3.058 1.00 0.00 H new ATOM 0 HB3 ASP A 27 15.681 5.164 4.300 1.00 0.00 H new ATOM 415 N THR A 28 14.404 2.379 4.092 1.00 0.00 N ATOM 416 CA THR A 28 14.056 1.399 5.117 1.00 0.00 C ATOM 417 C THR A 28 13.911 0.014 4.495 1.00 0.00 C ATOM 418 O THR A 28 14.567 -0.941 4.913 1.00 0.00 O ATOM 419 CB THR A 28 12.771 1.810 5.839 1.00 0.00 C ATOM 420 OG1 THR A 28 12.616 1.074 7.038 1.00 0.00 O ATOM 421 CG2 THR A 28 11.518 1.614 5.014 1.00 0.00 C ATOM 0 H THR A 28 13.604 2.795 3.615 1.00 0.00 H new ATOM 0 HA THR A 28 14.859 1.362 5.853 1.00 0.00 H new ATOM 0 HB THR A 28 12.885 2.876 6.036 1.00 0.00 H new ATOM 0 HG1 THR A 28 12.130 1.616 7.694 1.00 0.00 H new ATOM 0 HG21 THR A 28 10.649 1.927 5.592 1.00 0.00 H new ATOM 0 HG22 THR A 28 11.584 2.212 4.105 1.00 0.00 H new ATOM 0 HG23 THR A 28 11.418 0.561 4.749 1.00 0.00 H new ATOM 429 N GLY A 29 13.065 -0.076 3.477 1.00 0.00 N ATOM 430 CA GLY A 29 12.860 -1.329 2.778 1.00 0.00 C ATOM 431 C GLY A 29 11.953 -2.309 3.502 1.00 0.00 C ATOM 432 O GLY A 29 10.943 -2.741 2.954 1.00 0.00 O ATOM 0 H GLY A 29 12.513 0.704 3.121 1.00 0.00 H new ATOM 0 HA2 GLY A 29 12.437 -1.118 1.796 1.00 0.00 H new ATOM 0 HA3 GLY A 29 13.828 -1.802 2.613 1.00 0.00 H new ATOM 436 N LYS A 30 12.327 -2.689 4.719 1.00 0.00 N ATOM 437 CA LYS A 30 11.547 -3.661 5.488 1.00 0.00 C ATOM 438 C LYS A 30 10.824 -4.629 4.558 1.00 0.00 C ATOM 439 O LYS A 30 9.890 -4.249 3.853 1.00 0.00 O ATOM 440 CB LYS A 30 10.528 -2.972 6.399 1.00 0.00 C ATOM 441 CG LYS A 30 11.066 -1.739 7.103 1.00 0.00 C ATOM 442 CD LYS A 30 11.010 -0.509 6.217 1.00 0.00 C ATOM 443 CE LYS A 30 9.867 -0.582 5.217 1.00 0.00 C ATOM 444 NZ LYS A 30 8.545 -0.356 5.862 1.00 0.00 N ATOM 0 H LYS A 30 13.160 -2.343 5.195 1.00 0.00 H new ATOM 0 HA LYS A 30 12.249 -4.214 6.112 1.00 0.00 H new ATOM 0 HB2 LYS A 30 9.658 -2.689 5.806 1.00 0.00 H new ATOM 0 HB3 LYS A 30 10.185 -3.685 7.148 1.00 0.00 H new ATOM 0 HG2 LYS A 30 10.489 -1.559 8.010 1.00 0.00 H new ATOM 0 HG3 LYS A 30 12.096 -1.918 7.411 1.00 0.00 H new ATOM 0 HD2 LYS A 30 10.894 0.380 6.837 1.00 0.00 H new ATOM 0 HD3 LYS A 30 11.954 -0.403 5.682 1.00 0.00 H new ATOM 0 HE2 LYS A 30 10.021 0.162 4.436 1.00 0.00 H new ATOM 0 HE3 LYS A 30 9.871 -1.558 4.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 7.874 -1.083 5.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 8.649 -0.411 6.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 8.187 0.585 5.600 1.00 0.00 H new ATOM 458 N GLU A 31 11.261 -5.884 4.560 1.00 0.00 N ATOM 459 CA GLU A 31 10.654 -6.901 3.710 1.00 0.00 C ATOM 460 C GLU A 31 9.158 -6.666 3.602 1.00 0.00 C ATOM 461 O GLU A 31 8.422 -6.794 4.580 1.00 0.00 O ATOM 462 CB GLU A 31 10.927 -8.298 4.271 1.00 0.00 C ATOM 463 CG GLU A 31 10.353 -9.419 3.420 1.00 0.00 C ATOM 464 CD GLU A 31 10.683 -10.795 3.966 1.00 0.00 C ATOM 465 OE1 GLU A 31 11.803 -11.282 3.708 1.00 0.00 O ATOM 466 OE2 GLU A 31 9.821 -11.384 4.651 1.00 0.00 O ATOM 0 H GLU A 31 12.031 -6.220 5.139 1.00 0.00 H new ATOM 0 HA GLU A 31 11.096 -6.832 2.716 1.00 0.00 H new ATOM 0 HB2 GLU A 31 12.004 -8.439 4.364 1.00 0.00 H new ATOM 0 HB3 GLU A 31 10.509 -8.365 5.275 1.00 0.00 H new ATOM 0 HG2 GLU A 31 9.271 -9.306 3.360 1.00 0.00 H new ATOM 0 HG3 GLU A 31 10.739 -9.333 2.404 1.00 0.00 H new ATOM 473 N GLY A 32 8.721 -6.290 2.408 1.00 0.00 N ATOM 474 CA GLY A 32 7.323 -6.006 2.194 1.00 0.00 C ATOM 475 C GLY A 32 6.988 -4.606 2.652 1.00 0.00 C ATOM 476 O GLY A 32 5.869 -4.332 3.085 1.00 0.00 O ATOM 0 H GLY A 32 9.313 -6.178 1.585 1.00 0.00 H new ATOM 0 HA2 GLY A 32 7.082 -6.116 1.137 1.00 0.00 H new ATOM 0 HA3 GLY A 32 6.713 -6.728 2.737 1.00 0.00 H new ATOM 480 N ALA A 33 7.974 -3.716 2.555 1.00 0.00 N ATOM 481 CA ALA A 33 7.792 -2.330 2.961 1.00 0.00 C ATOM 482 C ALA A 33 6.498 -1.781 2.372 1.00 0.00 C ATOM 483 O ALA A 33 6.389 -1.611 1.159 1.00 0.00 O ATOM 484 CB ALA A 33 8.980 -1.501 2.508 1.00 0.00 C ATOM 0 H ALA A 33 8.905 -3.933 2.199 1.00 0.00 H new ATOM 0 HA ALA A 33 7.726 -2.278 4.048 1.00 0.00 H new ATOM 0 HB1 ALA A 33 8.838 -0.465 2.814 1.00 0.00 H new ATOM 0 HB2 ALA A 33 9.891 -1.892 2.961 1.00 0.00 H new ATOM 0 HB3 ALA A 33 9.065 -1.550 1.422 1.00 0.00 H new ATOM 490 N PHE A 34 5.509 -1.526 3.224 1.00 0.00 N ATOM 491 CA PHE A 34 4.222 -1.026 2.748 1.00 0.00 C ATOM 492 C PHE A 34 4.001 0.444 3.078 1.00 0.00 C ATOM 493 O PHE A 34 4.114 0.855 4.223 1.00 0.00 O ATOM 494 CB PHE A 34 3.078 -1.834 3.352 1.00 0.00 C ATOM 495 CG PHE A 34 1.756 -1.143 3.200 1.00 0.00 C ATOM 496 CD1 PHE A 34 1.235 -0.915 1.945 1.00 0.00 C ATOM 497 CD2 PHE A 34 1.042 -0.705 4.299 1.00 0.00 C ATOM 498 CE1 PHE A 34 0.030 -0.264 1.787 1.00 0.00 C ATOM 499 CE2 PHE A 34 -0.152 -0.056 4.146 1.00 0.00 C ATOM 500 CZ PHE A 34 -0.663 0.169 2.893 1.00 0.00 C ATOM 0 H PHE A 34 5.571 -1.655 4.234 1.00 0.00 H new ATOM 0 HA PHE A 34 4.238 -1.134 1.663 1.00 0.00 H new ATOM 0 HB2 PHE A 34 3.033 -2.812 2.872 1.00 0.00 H new ATOM 0 HB3 PHE A 34 3.276 -2.007 4.410 1.00 0.00 H new ATOM 0 HD1 PHE A 34 1.778 -1.251 1.074 1.00 0.00 H new ATOM 0 HD2 PHE A 34 1.432 -0.877 5.291 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -0.368 -0.095 0.798 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -0.695 0.281 5.016 1.00 0.00 H new ATOM 0 HZ PHE A 34 -1.605 0.684 2.776 1.00 0.00 H new ATOM 510 N MET A 35 3.646 1.227 2.071 1.00 0.00 N ATOM 511 CA MET A 35 3.368 2.642 2.282 1.00 0.00 C ATOM 512 C MET A 35 2.360 3.148 1.253 1.00 0.00 C ATOM 513 O MET A 35 2.595 3.068 0.050 1.00 0.00 O ATOM 514 CB MET A 35 4.662 3.451 2.240 1.00 0.00 C ATOM 515 CG MET A 35 4.906 4.170 0.929 1.00 0.00 C ATOM 516 SD MET A 35 5.673 5.772 1.168 1.00 0.00 S ATOM 517 CE MET A 35 6.298 5.548 2.824 1.00 0.00 C ATOM 0 H MET A 35 3.544 0.912 1.106 1.00 0.00 H new ATOM 0 HA MET A 35 2.926 2.770 3.270 1.00 0.00 H new ATOM 0 HB2 MET A 35 4.644 4.185 3.046 1.00 0.00 H new ATOM 0 HB3 MET A 35 5.501 2.783 2.436 1.00 0.00 H new ATOM 0 HG2 MET A 35 5.543 3.556 0.293 1.00 0.00 H new ATOM 0 HG3 MET A 35 3.959 4.297 0.405 1.00 0.00 H new ATOM 0 HE1 MET A 35 5.718 6.157 3.517 1.00 0.00 H new ATOM 0 HE2 MET A 35 6.214 4.498 3.106 1.00 0.00 H new ATOM 0 HE3 MET A 35 7.344 5.851 2.862 1.00 0.00 H new ATOM 527 N VAL A 36 1.224 3.652 1.735 1.00 0.00 N ATOM 528 CA VAL A 36 0.171 4.147 0.854 1.00 0.00 C ATOM 529 C VAL A 36 0.408 5.590 0.439 1.00 0.00 C ATOM 530 O VAL A 36 1.018 6.370 1.165 1.00 0.00 O ATOM 531 CB VAL A 36 -1.225 4.041 1.493 1.00 0.00 C ATOM 532 CG1 VAL A 36 -2.289 4.555 0.536 1.00 0.00 C ATOM 533 CG2 VAL A 36 -1.515 2.607 1.897 1.00 0.00 C ATOM 0 H VAL A 36 1.011 3.727 2.730 1.00 0.00 H new ATOM 0 HA VAL A 36 0.206 3.507 -0.028 1.00 0.00 H new ATOM 0 HB VAL A 36 -1.244 4.661 2.390 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -3.270 4.473 1.004 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -2.088 5.599 0.295 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -2.273 3.962 -0.379 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -2.506 2.549 2.347 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -1.479 1.966 1.016 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.769 2.274 2.618 1.00 0.00 H new ATOM 543 N ARG A 37 -0.085 5.927 -0.740 1.00 0.00 N ATOM 544 CA ARG A 37 0.054 7.263 -1.286 1.00 0.00 C ATOM 545 C ARG A 37 -1.252 7.700 -1.937 1.00 0.00 C ATOM 546 O ARG A 37 -1.715 7.087 -2.898 1.00 0.00 O ATOM 547 CB ARG A 37 1.194 7.288 -2.305 1.00 0.00 C ATOM 548 CG ARG A 37 2.328 6.347 -1.962 1.00 0.00 C ATOM 549 CD ARG A 37 1.880 4.908 -2.087 1.00 0.00 C ATOM 550 NE ARG A 37 2.674 4.165 -3.063 1.00 0.00 N ATOM 551 CZ ARG A 37 3.023 4.638 -4.256 1.00 0.00 C ATOM 552 NH1 ARG A 37 2.647 5.850 -4.639 1.00 0.00 N ATOM 553 NH2 ARG A 37 3.747 3.890 -5.074 1.00 0.00 N ATOM 0 H ARG A 37 -0.593 5.281 -1.345 1.00 0.00 H new ATOM 0 HA ARG A 37 0.288 7.958 -0.480 1.00 0.00 H new ATOM 0 HB2 ARG A 37 0.799 7.027 -3.287 1.00 0.00 H new ATOM 0 HB3 ARG A 37 1.584 8.303 -2.378 1.00 0.00 H new ATOM 0 HG2 ARG A 37 3.173 6.530 -2.626 1.00 0.00 H new ATOM 0 HG3 ARG A 37 2.673 6.539 -0.946 1.00 0.00 H new ATOM 0 HD2 ARG A 37 1.954 4.421 -1.115 1.00 0.00 H new ATOM 0 HD3 ARG A 37 0.830 4.880 -2.379 1.00 0.00 H new ATOM 0 HE ARG A 37 2.980 3.224 -2.814 1.00 0.00 H new ATOM 0 HH11 ARG A 37 2.084 6.430 -4.017 1.00 0.00 H new ATOM 0 HH12 ARG A 37 2.920 6.203 -5.556 1.00 0.00 H new ATOM 0 HH21 ARG A 37 4.035 2.954 -4.789 1.00 0.00 H new ATOM 0 HH22 ARG A 37 4.016 4.250 -5.990 1.00 0.00 H new ATOM 567 N ASP A 38 -1.851 8.751 -1.392 1.00 0.00 N ATOM 568 CA ASP A 38 -3.116 9.258 -1.904 1.00 0.00 C ATOM 569 C ASP A 38 -3.087 9.414 -3.419 1.00 0.00 C ATOM 570 O ASP A 38 -2.044 9.697 -4.008 1.00 0.00 O ATOM 571 CB ASP A 38 -3.461 10.595 -1.244 1.00 0.00 C ATOM 572 CG ASP A 38 -4.801 11.136 -1.703 1.00 0.00 C ATOM 573 OD1 ASP A 38 -5.829 10.764 -1.100 1.00 0.00 O ATOM 574 OD2 ASP A 38 -4.822 11.932 -2.666 1.00 0.00 O ATOM 0 H ASP A 38 -1.480 9.269 -0.595 1.00 0.00 H new ATOM 0 HA ASP A 38 -3.887 8.528 -1.658 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -3.474 10.470 -0.161 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -2.681 11.322 -1.472 1.00 0.00 H new ATOM 579 N SER A 39 -4.246 9.222 -4.040 1.00 0.00 N ATOM 580 CA SER A 39 -4.371 9.333 -5.487 1.00 0.00 C ATOM 581 C SER A 39 -5.827 9.538 -5.889 1.00 0.00 C ATOM 582 O SER A 39 -6.611 8.589 -5.917 1.00 0.00 O ATOM 583 CB SER A 39 -3.822 8.076 -6.158 1.00 0.00 C ATOM 584 OG SER A 39 -2.626 8.353 -6.865 1.00 0.00 O ATOM 0 H SER A 39 -5.115 8.988 -3.560 1.00 0.00 H new ATOM 0 HA SER A 39 -3.795 10.198 -5.815 1.00 0.00 H new ATOM 0 HB2 SER A 39 -3.633 7.311 -5.404 1.00 0.00 H new ATOM 0 HB3 SER A 39 -4.567 7.671 -6.843 1.00 0.00 H new ATOM 0 HG SER A 39 -1.930 7.720 -6.591 1.00 0.00 H new ATOM 590 N ARG A 40 -6.185 10.780 -6.202 1.00 0.00 N ATOM 591 CA ARG A 40 -7.550 11.099 -6.604 1.00 0.00 C ATOM 592 C ARG A 40 -8.280 9.845 -7.074 1.00 0.00 C ATOM 593 O ARG A 40 -9.011 9.217 -6.308 1.00 0.00 O ATOM 594 CB ARG A 40 -7.544 12.148 -7.717 1.00 0.00 C ATOM 595 CG ARG A 40 -8.875 12.275 -8.440 1.00 0.00 C ATOM 596 CD ARG A 40 -8.682 12.657 -9.898 1.00 0.00 C ATOM 597 NE ARG A 40 -9.863 13.311 -10.454 1.00 0.00 N ATOM 598 CZ ARG A 40 -10.318 14.487 -10.036 1.00 0.00 C ATOM 599 NH1 ARG A 40 -9.692 15.134 -9.062 1.00 0.00 N ATOM 600 NH2 ARG A 40 -11.399 15.018 -10.591 1.00 0.00 N ATOM 0 H ARG A 40 -5.551 11.579 -6.185 1.00 0.00 H new ATOM 0 HA ARG A 40 -8.075 11.503 -5.739 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -7.277 13.115 -7.292 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -6.770 11.893 -8.441 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -9.415 11.330 -8.379 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -9.489 13.026 -7.944 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -7.823 13.322 -9.988 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -8.455 11.764 -10.480 1.00 0.00 H new ATOM 0 HE ARG A 40 -10.367 12.839 -11.205 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -8.860 14.729 -8.633 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -10.042 16.037 -8.742 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -11.883 14.523 -11.340 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -11.747 15.921 -10.268 1.00 0.00 H new ATOM 614 N THR A 41 -8.071 9.483 -8.336 1.00 0.00 N ATOM 615 CA THR A 41 -8.703 8.303 -8.911 1.00 0.00 C ATOM 616 C THR A 41 -10.099 8.098 -8.325 1.00 0.00 C ATOM 617 O THR A 41 -10.638 8.988 -7.668 1.00 0.00 O ATOM 618 CB THR A 41 -7.825 7.074 -8.660 1.00 0.00 C ATOM 619 OG1 THR A 41 -7.873 6.188 -9.763 1.00 0.00 O ATOM 620 CG2 THR A 41 -8.213 6.296 -7.422 1.00 0.00 C ATOM 0 H THR A 41 -7.467 9.992 -8.981 1.00 0.00 H new ATOM 0 HA THR A 41 -8.810 8.448 -9.986 1.00 0.00 H new ATOM 0 HB THR A 41 -6.819 7.467 -8.515 1.00 0.00 H new ATOM 0 HG1 THR A 41 -7.525 5.312 -9.495 1.00 0.00 H new ATOM 0 HG21 THR A 41 -7.549 5.440 -7.307 1.00 0.00 H new ATOM 0 HG22 THR A 41 -8.129 6.940 -6.547 1.00 0.00 H new ATOM 0 HG23 THR A 41 -9.241 5.947 -7.519 1.00 0.00 H new ATOM 628 N PRO A 42 -10.711 6.925 -8.559 1.00 0.00 N ATOM 629 CA PRO A 42 -12.053 6.620 -8.053 1.00 0.00 C ATOM 630 C PRO A 42 -12.240 7.012 -6.587 1.00 0.00 C ATOM 631 O PRO A 42 -13.331 6.868 -6.035 1.00 0.00 O ATOM 632 CB PRO A 42 -12.147 5.106 -8.223 1.00 0.00 C ATOM 633 CG PRO A 42 -11.286 4.815 -9.402 1.00 0.00 C ATOM 634 CD PRO A 42 -10.153 5.805 -9.342 1.00 0.00 C ATOM 0 HA PRO A 42 -12.825 7.177 -8.583 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -11.794 4.583 -7.334 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -13.176 4.788 -8.393 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -10.912 3.792 -9.369 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -11.847 4.920 -10.331 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -9.273 5.378 -8.860 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -9.847 6.125 -10.338 1.00 0.00 H new ATOM 642 N GLY A 43 -11.176 7.508 -5.959 1.00 0.00 N ATOM 643 CA GLY A 43 -11.264 7.907 -4.566 1.00 0.00 C ATOM 644 C GLY A 43 -10.441 7.023 -3.653 1.00 0.00 C ATOM 645 O GLY A 43 -10.658 7.002 -2.441 1.00 0.00 O ATOM 0 H GLY A 43 -10.260 7.640 -6.388 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -10.928 8.939 -4.466 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -12.307 7.879 -4.249 1.00 0.00 H new ATOM 649 N THR A 44 -9.508 6.277 -4.232 1.00 0.00 N ATOM 650 CA THR A 44 -8.672 5.373 -3.454 1.00 0.00 C ATOM 651 C THR A 44 -7.304 5.965 -3.147 1.00 0.00 C ATOM 652 O THR A 44 -7.051 7.151 -3.363 1.00 0.00 O ATOM 653 CB THR A 44 -8.479 4.055 -4.196 1.00 0.00 C ATOM 654 OG1 THR A 44 -7.120 3.655 -4.152 1.00 0.00 O ATOM 655 CG2 THR A 44 -8.887 4.112 -5.651 1.00 0.00 C ATOM 0 H THR A 44 -9.312 6.280 -5.233 1.00 0.00 H new ATOM 0 HA THR A 44 -9.192 5.206 -2.511 1.00 0.00 H new ATOM 0 HB THR A 44 -9.126 3.342 -3.685 1.00 0.00 H new ATOM 0 HG1 THR A 44 -6.920 3.090 -4.927 1.00 0.00 H new ATOM 0 HG21 THR A 44 -8.722 3.139 -6.114 1.00 0.00 H new ATOM 0 HG22 THR A 44 -9.943 4.373 -5.723 1.00 0.00 H new ATOM 0 HG23 THR A 44 -8.291 4.865 -6.167 1.00 0.00 H new ATOM 663 N TYR A 45 -6.428 5.104 -2.641 1.00 0.00 N ATOM 664 CA TYR A 45 -5.068 5.479 -2.290 1.00 0.00 C ATOM 665 C TYR A 45 -4.065 4.539 -2.951 1.00 0.00 C ATOM 666 O TYR A 45 -4.405 3.430 -3.363 1.00 0.00 O ATOM 667 CB TYR A 45 -4.878 5.447 -0.776 1.00 0.00 C ATOM 668 CG TYR A 45 -5.924 6.222 -0.015 1.00 0.00 C ATOM 669 CD1 TYR A 45 -7.213 5.729 0.119 1.00 0.00 C ATOM 670 CD2 TYR A 45 -5.621 7.441 0.573 1.00 0.00 C ATOM 671 CE1 TYR A 45 -8.175 6.427 0.818 1.00 0.00 C ATOM 672 CE2 TYR A 45 -6.579 8.150 1.275 1.00 0.00 C ATOM 673 CZ TYR A 45 -7.853 7.637 1.395 1.00 0.00 C ATOM 674 OH TYR A 45 -8.810 8.338 2.094 1.00 0.00 O ATOM 0 H TYR A 45 -6.644 4.123 -2.463 1.00 0.00 H new ATOM 0 HA TYR A 45 -4.894 6.493 -2.649 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -4.891 4.410 -0.439 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -3.894 5.849 -0.534 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -7.468 4.781 -0.332 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -4.623 7.842 0.481 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -9.174 6.028 0.913 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -6.331 9.099 1.726 1.00 0.00 H new ATOM 0 HH TYR A 45 -9.689 7.931 1.943 1.00 0.00 H new ATOM 684 N THR A 46 -2.825 4.987 -3.055 1.00 0.00 N ATOM 685 CA THR A 46 -1.776 4.181 -3.661 1.00 0.00 C ATOM 686 C THR A 46 -0.997 3.431 -2.585 1.00 0.00 C ATOM 687 O THR A 46 -0.714 3.986 -1.528 1.00 0.00 O ATOM 688 CB THR A 46 -0.845 5.074 -4.474 1.00 0.00 C ATOM 689 OG1 THR A 46 -1.591 5.962 -5.288 1.00 0.00 O ATOM 690 CG2 THR A 46 0.079 4.292 -5.375 1.00 0.00 C ATOM 0 H THR A 46 -2.519 5.904 -2.728 1.00 0.00 H new ATOM 0 HA THR A 46 -2.229 3.447 -4.328 1.00 0.00 H new ATOM 0 HB THR A 46 -0.246 5.619 -3.745 1.00 0.00 H new ATOM 0 HG1 THR A 46 -1.704 6.816 -4.822 1.00 0.00 H new ATOM 0 HG21 THR A 46 0.717 4.981 -5.928 1.00 0.00 H new ATOM 0 HG22 THR A 46 0.699 3.628 -4.772 1.00 0.00 H new ATOM 0 HG23 THR A 46 -0.510 3.701 -6.076 1.00 0.00 H new ATOM 698 N VAL A 47 -0.660 2.166 -2.839 1.00 0.00 N ATOM 699 CA VAL A 47 0.072 1.382 -1.855 1.00 0.00 C ATOM 700 C VAL A 47 1.487 1.066 -2.310 1.00 0.00 C ATOM 701 O VAL A 47 1.703 0.240 -3.195 1.00 0.00 O ATOM 702 CB VAL A 47 -0.632 0.058 -1.525 1.00 0.00 C ATOM 703 CG1 VAL A 47 0.329 -0.865 -0.791 1.00 0.00 C ATOM 704 CG2 VAL A 47 -1.892 0.313 -0.710 1.00 0.00 C ATOM 0 H VAL A 47 -0.880 1.672 -3.704 1.00 0.00 H new ATOM 0 HA VAL A 47 0.107 2.006 -0.962 1.00 0.00 H new ATOM 0 HB VAL A 47 -0.935 -0.430 -2.451 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -0.174 -1.804 -0.558 1.00 0.00 H new ATOM 0 HG12 VAL A 47 1.195 -1.064 -1.422 1.00 0.00 H new ATOM 0 HG13 VAL A 47 0.655 -0.389 0.134 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -2.378 -0.636 -0.485 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -1.628 0.815 0.221 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -2.574 0.943 -1.281 1.00 0.00 H new ATOM 714 N SER A 48 2.447 1.714 -1.672 1.00 0.00 N ATOM 715 CA SER A 48 3.855 1.495 -1.978 1.00 0.00 C ATOM 716 C SER A 48 4.372 0.279 -1.218 1.00 0.00 C ATOM 717 O SER A 48 4.493 0.314 0.010 1.00 0.00 O ATOM 718 CB SER A 48 4.690 2.719 -1.590 1.00 0.00 C ATOM 719 OG SER A 48 6.048 2.367 -1.408 1.00 0.00 O ATOM 0 H SER A 48 2.278 2.399 -0.936 1.00 0.00 H new ATOM 0 HA SER A 48 3.946 1.326 -3.051 1.00 0.00 H new ATOM 0 HB2 SER A 48 4.608 3.480 -2.366 1.00 0.00 H new ATOM 0 HB3 SER A 48 4.297 3.156 -0.672 1.00 0.00 H new ATOM 0 HG SER A 48 6.533 2.486 -2.251 1.00 0.00 H new ATOM 725 N VAL A 49 4.682 -0.792 -1.944 1.00 0.00 N ATOM 726 CA VAL A 49 5.196 -2.004 -1.322 1.00 0.00 C ATOM 727 C VAL A 49 6.638 -2.242 -1.750 1.00 0.00 C ATOM 728 O VAL A 49 6.953 -2.239 -2.942 1.00 0.00 O ATOM 729 CB VAL A 49 4.337 -3.230 -1.669 1.00 0.00 C ATOM 730 CG1 VAL A 49 2.863 -2.915 -1.465 1.00 0.00 C ATOM 731 CG2 VAL A 49 4.603 -3.689 -3.093 1.00 0.00 C ATOM 0 H VAL A 49 4.586 -0.843 -2.958 1.00 0.00 H new ATOM 0 HA VAL A 49 5.156 -1.863 -0.242 1.00 0.00 H new ATOM 0 HB VAL A 49 4.610 -4.046 -0.999 1.00 0.00 H new ATOM 0 HG11 VAL A 49 2.266 -3.792 -1.714 1.00 0.00 H new ATOM 0 HG12 VAL A 49 2.690 -2.642 -0.424 1.00 0.00 H new ATOM 0 HG13 VAL A 49 2.576 -2.085 -2.110 1.00 0.00 H new ATOM 0 HG21 VAL A 49 3.984 -4.558 -3.317 1.00 0.00 H new ATOM 0 HG22 VAL A 49 4.361 -2.883 -3.786 1.00 0.00 H new ATOM 0 HG23 VAL A 49 5.655 -3.956 -3.199 1.00 0.00 H new ATOM 741 N PHE A 50 7.520 -2.411 -0.771 1.00 0.00 N ATOM 742 CA PHE A 50 8.938 -2.607 -1.049 1.00 0.00 C ATOM 743 C PHE A 50 9.454 -3.944 -0.514 1.00 0.00 C ATOM 744 O PHE A 50 9.165 -4.333 0.623 1.00 0.00 O ATOM 745 CB PHE A 50 9.724 -1.444 -0.456 1.00 0.00 C ATOM 746 CG PHE A 50 11.185 -1.712 -0.286 1.00 0.00 C ATOM 747 CD1 PHE A 50 11.632 -2.700 0.577 1.00 0.00 C ATOM 748 CD2 PHE A 50 12.116 -0.964 -0.986 1.00 0.00 C ATOM 749 CE1 PHE A 50 12.979 -2.933 0.734 1.00 0.00 C ATOM 750 CE2 PHE A 50 13.466 -1.195 -0.832 1.00 0.00 C ATOM 751 CZ PHE A 50 13.898 -2.180 0.029 1.00 0.00 C ATOM 0 H PHE A 50 7.279 -2.416 0.220 1.00 0.00 H new ATOM 0 HA PHE A 50 9.077 -2.634 -2.130 1.00 0.00 H new ATOM 0 HB2 PHE A 50 9.599 -0.572 -1.097 1.00 0.00 H new ATOM 0 HB3 PHE A 50 9.298 -1.190 0.515 1.00 0.00 H new ATOM 0 HD1 PHE A 50 10.918 -3.292 1.130 1.00 0.00 H new ATOM 0 HD2 PHE A 50 11.781 -0.190 -1.661 1.00 0.00 H new ATOM 0 HE1 PHE A 50 13.318 -3.705 1.409 1.00 0.00 H new ATOM 0 HE2 PHE A 50 14.183 -0.606 -1.384 1.00 0.00 H new ATOM 0 HZ PHE A 50 14.955 -2.363 0.153 1.00 0.00 H new ATOM 761 N THR A 51 10.213 -4.638 -1.368 1.00 0.00 N ATOM 762 CA THR A 51 10.783 -5.947 -1.042 1.00 0.00 C ATOM 763 C THR A 51 12.282 -5.881 -0.781 1.00 0.00 C ATOM 764 O THR A 51 13.020 -5.202 -1.494 1.00 0.00 O ATOM 765 CB THR A 51 10.553 -6.939 -2.179 1.00 0.00 C ATOM 766 OG1 THR A 51 9.184 -7.281 -2.292 1.00 0.00 O ATOM 767 CG2 THR A 51 11.344 -8.218 -2.009 1.00 0.00 C ATOM 0 H THR A 51 10.449 -4.308 -2.304 1.00 0.00 H new ATOM 0 HA THR A 51 10.276 -6.275 -0.134 1.00 0.00 H new ATOM 0 HB THR A 51 10.894 -6.432 -3.082 1.00 0.00 H new ATOM 0 HG1 THR A 51 8.995 -7.577 -3.207 1.00 0.00 H new ATOM 0 HG21 THR A 51 11.141 -8.885 -2.847 1.00 0.00 H new ATOM 0 HG22 THR A 51 12.409 -7.986 -1.980 1.00 0.00 H new ATOM 0 HG23 THR A 51 11.053 -8.705 -1.078 1.00 0.00 H new ATOM 775 N LYS A 52 12.728 -6.622 0.227 1.00 0.00 N ATOM 776 CA LYS A 52 14.144 -6.682 0.560 1.00 0.00 C ATOM 777 C LYS A 52 14.894 -7.461 -0.503 1.00 0.00 C ATOM 778 O LYS A 52 14.297 -8.227 -1.258 1.00 0.00 O ATOM 779 CB LYS A 52 14.341 -7.344 1.920 1.00 0.00 C ATOM 780 CG LYS A 52 13.383 -6.822 2.964 1.00 0.00 C ATOM 781 CD LYS A 52 12.933 -5.414 2.615 1.00 0.00 C ATOM 782 CE LYS A 52 13.724 -4.383 3.403 1.00 0.00 C ATOM 783 NZ LYS A 52 15.177 -4.708 3.438 1.00 0.00 N ATOM 0 H LYS A 52 12.129 -7.189 0.827 1.00 0.00 H new ATOM 0 HA LYS A 52 14.535 -5.666 0.603 1.00 0.00 H new ATOM 0 HB2 LYS A 52 14.210 -8.421 1.818 1.00 0.00 H new ATOM 0 HB3 LYS A 52 15.365 -7.178 2.256 1.00 0.00 H new ATOM 0 HG2 LYS A 52 12.517 -7.480 3.033 1.00 0.00 H new ATOM 0 HG3 LYS A 52 13.864 -6.825 3.942 1.00 0.00 H new ATOM 0 HD2 LYS A 52 13.063 -5.240 1.547 1.00 0.00 H new ATOM 0 HD3 LYS A 52 11.870 -5.304 2.828 1.00 0.00 H new ATOM 0 HE2 LYS A 52 13.583 -3.398 2.957 1.00 0.00 H new ATOM 0 HE3 LYS A 52 13.339 -4.330 4.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 15.717 -3.856 3.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 15.350 -5.449 4.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 15.480 -5.047 2.503 1.00 0.00 H new ATOM 797 N ALA A 53 16.200 -7.266 -0.564 1.00 0.00 N ATOM 798 CA ALA A 53 17.011 -7.959 -1.547 1.00 0.00 C ATOM 799 C ALA A 53 18.241 -7.137 -1.919 1.00 0.00 C ATOM 800 O ALA A 53 18.129 -5.980 -2.322 1.00 0.00 O ATOM 801 CB ALA A 53 16.163 -8.264 -2.773 1.00 0.00 C ATOM 0 H ALA A 53 16.717 -6.638 0.051 1.00 0.00 H new ATOM 0 HA ALA A 53 17.367 -8.896 -1.120 1.00 0.00 H new ATOM 0 HB1 ALA A 53 16.769 -8.785 -3.514 1.00 0.00 H new ATOM 0 HB2 ALA A 53 15.321 -8.894 -2.486 1.00 0.00 H new ATOM 0 HB3 ALA A 53 15.791 -7.332 -3.199 1.00 0.00 H new ATOM 807 N ILE A 54 19.416 -7.742 -1.770 1.00 0.00 N ATOM 808 CA ILE A 54 20.670 -7.068 -2.082 1.00 0.00 C ATOM 809 C ILE A 54 20.489 -6.046 -3.199 1.00 0.00 C ATOM 810 O ILE A 54 19.577 -6.161 -4.018 1.00 0.00 O ATOM 811 CB ILE A 54 21.762 -8.074 -2.493 1.00 0.00 C ATOM 812 CG1 ILE A 54 21.370 -8.784 -3.790 1.00 0.00 C ATOM 813 CG2 ILE A 54 21.999 -9.084 -1.381 1.00 0.00 C ATOM 814 CD1 ILE A 54 21.047 -10.251 -3.603 1.00 0.00 C ATOM 0 H ILE A 54 19.525 -8.699 -1.435 1.00 0.00 H new ATOM 0 HA ILE A 54 20.983 -6.553 -1.174 1.00 0.00 H new ATOM 0 HB ILE A 54 22.690 -7.529 -2.665 1.00 0.00 H new ATOM 0 HG12 ILE A 54 20.504 -8.282 -4.222 1.00 0.00 H new ATOM 0 HG13 ILE A 54 22.185 -8.688 -4.508 1.00 0.00 H new ATOM 0 HG21 ILE A 54 22.773 -9.787 -1.687 1.00 0.00 H new ATOM 0 HG22 ILE A 54 22.319 -8.563 -0.478 1.00 0.00 H new ATOM 0 HG23 ILE A 54 21.075 -9.626 -1.179 1.00 0.00 H new ATOM 0 HD11 ILE A 54 20.778 -10.690 -4.564 1.00 0.00 H new ATOM 0 HD12 ILE A 54 21.919 -10.767 -3.200 1.00 0.00 H new ATOM 0 HD13 ILE A 54 20.212 -10.354 -2.910 1.00 0.00 H new ATOM 826 N ILE A 55 21.366 -5.046 -3.225 1.00 0.00 N ATOM 827 CA ILE A 55 21.306 -4.002 -4.242 1.00 0.00 C ATOM 828 C ILE A 55 21.665 -4.552 -5.617 1.00 0.00 C ATOM 829 O ILE A 55 21.128 -4.110 -6.633 1.00 0.00 O ATOM 830 CB ILE A 55 22.256 -2.836 -3.906 1.00 0.00 C ATOM 831 CG1 ILE A 55 23.713 -3.292 -4.005 1.00 0.00 C ATOM 832 CG2 ILE A 55 21.958 -2.291 -2.518 1.00 0.00 C ATOM 833 CD1 ILE A 55 24.330 -3.052 -5.365 1.00 0.00 C ATOM 0 H ILE A 55 22.126 -4.937 -2.553 1.00 0.00 H new ATOM 0 HA ILE A 55 20.280 -3.634 -4.257 1.00 0.00 H new ATOM 0 HB ILE A 55 22.095 -2.037 -4.629 1.00 0.00 H new ATOM 0 HG12 ILE A 55 24.301 -2.769 -3.251 1.00 0.00 H new ATOM 0 HG13 ILE A 55 23.769 -4.355 -3.772 1.00 0.00 H new ATOM 0 HG21 ILE A 55 22.638 -1.468 -2.296 1.00 0.00 H new ATOM 0 HG22 ILE A 55 20.930 -1.932 -2.481 1.00 0.00 H new ATOM 0 HG23 ILE A 55 22.093 -3.082 -1.780 1.00 0.00 H new ATOM 0 HD11 ILE A 55 25.363 -3.399 -5.362 1.00 0.00 H new ATOM 0 HD12 ILE A 55 23.766 -3.597 -6.122 1.00 0.00 H new ATOM 0 HD13 ILE A 55 24.306 -1.986 -5.592 1.00 0.00 H new ATOM 845 N SER A 56 22.575 -5.520 -5.643 1.00 0.00 N ATOM 846 CA SER A 56 23.004 -6.131 -6.895 1.00 0.00 C ATOM 847 C SER A 56 21.805 -6.466 -7.774 1.00 0.00 C ATOM 848 O SER A 56 21.944 -6.672 -8.978 1.00 0.00 O ATOM 849 CB SER A 56 23.818 -7.396 -6.617 1.00 0.00 C ATOM 850 OG SER A 56 22.970 -8.497 -6.338 1.00 0.00 O ATOM 0 H SER A 56 23.029 -5.898 -4.812 1.00 0.00 H new ATOM 0 HA SER A 56 23.631 -5.414 -7.425 1.00 0.00 H new ATOM 0 HB2 SER A 56 24.445 -7.625 -7.478 1.00 0.00 H new ATOM 0 HB3 SER A 56 24.486 -7.224 -5.773 1.00 0.00 H new ATOM 0 HG SER A 56 23.514 -9.294 -6.165 1.00 0.00 H new ATOM 856 N GLU A 57 20.628 -6.520 -7.156 1.00 0.00 N ATOM 857 CA GLU A 57 19.392 -6.830 -7.869 1.00 0.00 C ATOM 858 C GLU A 57 18.620 -7.933 -7.155 1.00 0.00 C ATOM 859 O GLU A 57 19.145 -9.023 -6.930 1.00 0.00 O ATOM 860 CB GLU A 57 19.691 -7.256 -9.309 1.00 0.00 C ATOM 861 CG GLU A 57 20.510 -8.533 -9.407 1.00 0.00 C ATOM 862 CD GLU A 57 19.653 -9.782 -9.334 1.00 0.00 C ATOM 863 OE1 GLU A 57 18.418 -9.663 -9.478 1.00 0.00 O ATOM 864 OE2 GLU A 57 20.217 -10.877 -9.135 1.00 0.00 O ATOM 0 H GLU A 57 20.504 -6.352 -6.158 1.00 0.00 H new ATOM 0 HA GLU A 57 18.781 -5.928 -7.888 1.00 0.00 H new ATOM 0 HB2 GLU A 57 18.750 -7.396 -9.841 1.00 0.00 H new ATOM 0 HB3 GLU A 57 20.226 -6.451 -9.814 1.00 0.00 H new ATOM 0 HG2 GLU A 57 21.066 -8.533 -10.344 1.00 0.00 H new ATOM 0 HG3 GLU A 57 21.244 -8.553 -8.601 1.00 0.00 H new ATOM 871 N ASN A 58 17.371 -7.644 -6.803 1.00 0.00 N ATOM 872 CA ASN A 58 16.527 -8.615 -6.118 1.00 0.00 C ATOM 873 C ASN A 58 15.387 -7.925 -5.367 1.00 0.00 C ATOM 874 O ASN A 58 14.252 -8.403 -5.380 1.00 0.00 O ATOM 875 CB ASN A 58 17.362 -9.467 -5.158 1.00 0.00 C ATOM 876 CG ASN A 58 16.518 -10.459 -4.382 1.00 0.00 C ATOM 877 OD1 ASN A 58 16.934 -10.964 -3.340 1.00 0.00 O ATOM 878 ND2 ASN A 58 15.324 -10.745 -4.889 1.00 0.00 N ATOM 0 H ASN A 58 16.922 -6.746 -6.981 1.00 0.00 H new ATOM 0 HA ASN A 58 16.086 -9.267 -6.872 1.00 0.00 H new ATOM 0 HB2 ASN A 58 18.123 -10.005 -5.723 1.00 0.00 H new ATOM 0 HB3 ASN A 58 17.885 -8.815 -4.459 1.00 0.00 H new ATOM 0 HD21 ASN A 58 14.712 -11.407 -4.411 1.00 0.00 H new ATOM 0 HD22 ASN A 58 15.019 -10.303 -5.756 1.00 0.00 H new ATOM 885 N PRO A 59 15.662 -6.783 -4.708 1.00 0.00 N ATOM 886 CA PRO A 59 14.637 -6.039 -3.970 1.00 0.00 C ATOM 887 C PRO A 59 13.628 -5.411 -4.916 1.00 0.00 C ATOM 888 O PRO A 59 13.984 -4.977 -6.012 1.00 0.00 O ATOM 889 CB PRO A 59 15.431 -4.969 -3.224 1.00 0.00 C ATOM 890 CG PRO A 59 16.675 -4.787 -4.025 1.00 0.00 C ATOM 891 CD PRO A 59 16.980 -6.126 -4.645 1.00 0.00 C ATOM 0 HA PRO A 59 14.056 -6.674 -3.302 1.00 0.00 H new ATOM 0 HB2 PRO A 59 14.868 -4.038 -3.151 1.00 0.00 H new ATOM 0 HB3 PRO A 59 15.659 -5.284 -2.206 1.00 0.00 H new ATOM 0 HG2 PRO A 59 16.535 -4.026 -4.793 1.00 0.00 H new ATOM 0 HG3 PRO A 59 17.499 -4.455 -3.393 1.00 0.00 H new ATOM 0 HD2 PRO A 59 17.423 -6.019 -5.635 1.00 0.00 H new ATOM 0 HD3 PRO A 59 17.685 -6.697 -4.041 1.00 0.00 H new ATOM 899 N CYS A 60 12.365 -5.390 -4.512 1.00 0.00 N ATOM 900 CA CYS A 60 11.324 -4.837 -5.375 1.00 0.00 C ATOM 901 C CYS A 60 10.369 -3.904 -4.641 1.00 0.00 C ATOM 902 O CYS A 60 9.946 -4.182 -3.520 1.00 0.00 O ATOM 903 CB CYS A 60 10.530 -5.972 -6.024 1.00 0.00 C ATOM 904 SG CYS A 60 9.394 -6.814 -4.898 1.00 0.00 S ATOM 0 H CYS A 60 12.038 -5.741 -3.612 1.00 0.00 H new ATOM 0 HA CYS A 60 11.831 -4.242 -6.134 1.00 0.00 H new ATOM 0 HB2 CYS A 60 9.962 -5.570 -6.863 1.00 0.00 H new ATOM 0 HB3 CYS A 60 11.228 -6.703 -6.432 1.00 0.00 H new ATOM 0 HG CYS A 60 9.281 -6.126 -3.801 1.00 0.00 H new ATOM 910 N ILE A 61 9.992 -2.821 -5.314 1.00 0.00 N ATOM 911 CA ILE A 61 9.038 -1.869 -4.765 1.00 0.00 C ATOM 912 C ILE A 61 7.839 -1.763 -5.690 1.00 0.00 C ATOM 913 O ILE A 61 7.938 -1.213 -6.787 1.00 0.00 O ATOM 914 CB ILE A 61 9.623 -0.459 -4.583 1.00 0.00 C ATOM 915 CG1 ILE A 61 10.774 -0.473 -3.579 1.00 0.00 C ATOM 916 CG2 ILE A 61 8.524 0.488 -4.121 1.00 0.00 C ATOM 917 CD1 ILE A 61 11.907 -1.394 -3.972 1.00 0.00 C ATOM 0 H ILE A 61 10.336 -2.582 -6.244 1.00 0.00 H new ATOM 0 HA ILE A 61 8.759 -2.246 -3.781 1.00 0.00 H new ATOM 0 HB ILE A 61 10.019 -0.114 -5.538 1.00 0.00 H new ATOM 0 HG12 ILE A 61 11.161 0.540 -3.469 1.00 0.00 H new ATOM 0 HG13 ILE A 61 10.392 -0.776 -2.604 1.00 0.00 H new ATOM 0 HG21 ILE A 61 8.937 1.489 -3.991 1.00 0.00 H new ATOM 0 HG22 ILE A 61 7.731 0.517 -4.868 1.00 0.00 H new ATOM 0 HG23 ILE A 61 8.117 0.138 -3.173 1.00 0.00 H new ATOM 0 HD11 ILE A 61 12.689 -1.353 -3.214 1.00 0.00 H new ATOM 0 HD12 ILE A 61 11.534 -2.415 -4.054 1.00 0.00 H new ATOM 0 HD13 ILE A 61 12.316 -1.079 -4.932 1.00 0.00 H new ATOM 929 N LYS A 62 6.713 -2.300 -5.257 1.00 0.00 N ATOM 930 CA LYS A 62 5.507 -2.266 -6.069 1.00 0.00 C ATOM 931 C LYS A 62 4.501 -1.272 -5.519 1.00 0.00 C ATOM 932 O LYS A 62 4.192 -1.277 -4.326 1.00 0.00 O ATOM 933 CB LYS A 62 4.874 -3.655 -6.146 1.00 0.00 C ATOM 934 CG LYS A 62 5.876 -4.765 -6.403 1.00 0.00 C ATOM 935 CD LYS A 62 5.443 -5.650 -7.562 1.00 0.00 C ATOM 936 CE LYS A 62 4.686 -4.858 -8.617 1.00 0.00 C ATOM 937 NZ LYS A 62 3.211 -4.965 -8.440 1.00 0.00 N ATOM 0 H LYS A 62 6.607 -2.762 -4.354 1.00 0.00 H new ATOM 0 HA LYS A 62 5.792 -1.947 -7.071 1.00 0.00 H new ATOM 0 HB2 LYS A 62 4.350 -3.859 -5.212 1.00 0.00 H new ATOM 0 HB3 LYS A 62 4.126 -3.661 -6.939 1.00 0.00 H new ATOM 0 HG2 LYS A 62 6.853 -4.332 -6.620 1.00 0.00 H new ATOM 0 HG3 LYS A 62 5.988 -5.371 -5.504 1.00 0.00 H new ATOM 0 HD2 LYS A 62 6.320 -6.114 -8.014 1.00 0.00 H new ATOM 0 HD3 LYS A 62 4.812 -6.457 -7.189 1.00 0.00 H new ATOM 0 HE2 LYS A 62 4.983 -3.810 -8.567 1.00 0.00 H new ATOM 0 HE3 LYS A 62 4.960 -5.219 -9.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 2.746 -4.158 -8.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 2.873 -5.851 -8.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 2.982 -4.960 -7.426 1.00 0.00 H new ATOM 951 N HIS A 63 3.976 -0.429 -6.398 1.00 0.00 N ATOM 952 CA HIS A 63 2.989 0.551 -5.998 1.00 0.00 C ATOM 953 C HIS A 63 1.592 0.007 -6.275 1.00 0.00 C ATOM 954 O HIS A 63 1.147 -0.018 -7.423 1.00 0.00 O ATOM 955 CB HIS A 63 3.187 1.856 -6.769 1.00 0.00 C ATOM 956 CG HIS A 63 4.620 2.221 -7.005 1.00 0.00 C ATOM 957 ND1 HIS A 63 5.547 2.398 -6.002 1.00 0.00 N ATOM 958 CD2 HIS A 63 5.275 2.467 -8.168 1.00 0.00 C ATOM 959 CE1 HIS A 63 6.707 2.746 -6.574 1.00 0.00 C ATOM 960 NE2 HIS A 63 6.597 2.800 -7.886 1.00 0.00 N ATOM 0 H HIS A 63 4.219 -0.408 -7.388 1.00 0.00 H new ATOM 0 HA HIS A 63 3.105 0.751 -4.933 1.00 0.00 H new ATOM 0 HB2 HIS A 63 2.681 1.776 -7.731 1.00 0.00 H new ATOM 0 HB3 HIS A 63 2.704 2.665 -6.221 1.00 0.00 H new ATOM 0 HD2 HIS A 63 4.840 2.413 -9.155 1.00 0.00 H new ATOM 0 HE1 HIS A 63 7.616 2.955 -6.030 1.00 0.00 H new ATOM 0 HE2 HIS A 63 7.329 3.037 -8.556 1.00 0.00 H new ATOM 968 N TYR A 64 0.905 -0.434 -5.232 1.00 0.00 N ATOM 969 CA TYR A 64 -0.436 -0.982 -5.387 1.00 0.00 C ATOM 970 C TYR A 64 -1.498 0.051 -5.079 1.00 0.00 C ATOM 971 O TYR A 64 -1.639 0.481 -3.936 1.00 0.00 O ATOM 972 CB TYR A 64 -0.630 -2.172 -4.460 1.00 0.00 C ATOM 973 CG TYR A 64 0.458 -3.194 -4.580 1.00 0.00 C ATOM 974 CD1 TYR A 64 0.748 -3.784 -5.796 1.00 0.00 C ATOM 975 CD2 TYR A 64 1.193 -3.564 -3.472 1.00 0.00 C ATOM 976 CE1 TYR A 64 1.748 -4.723 -5.907 1.00 0.00 C ATOM 977 CE2 TYR A 64 2.197 -4.503 -3.569 1.00 0.00 C ATOM 978 CZ TYR A 64 2.471 -5.082 -4.790 1.00 0.00 C ATOM 979 OH TYR A 64 3.471 -6.020 -4.896 1.00 0.00 O ATOM 0 H TYR A 64 1.251 -0.424 -4.273 1.00 0.00 H new ATOM 0 HA TYR A 64 -0.539 -1.294 -6.426 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -0.676 -1.819 -3.430 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -1.588 -2.643 -4.679 1.00 0.00 H new ATOM 0 HD1 TYR A 64 0.181 -3.504 -6.672 1.00 0.00 H new ATOM 0 HD2 TYR A 64 0.978 -3.111 -2.515 1.00 0.00 H new ATOM 0 HE1 TYR A 64 1.965 -5.176 -6.863 1.00 0.00 H new ATOM 0 HE2 TYR A 64 2.765 -4.783 -2.695 1.00 0.00 H new ATOM 0 HH TYR A 64 3.253 -6.651 -5.613 1.00 0.00 H new ATOM 989 N HIS A 65 -2.272 0.430 -6.083 1.00 0.00 N ATOM 990 CA HIS A 65 -3.330 1.385 -5.850 1.00 0.00 C ATOM 991 C HIS A 65 -4.566 0.673 -5.358 1.00 0.00 C ATOM 992 O HIS A 65 -4.916 -0.399 -5.852 1.00 0.00 O ATOM 993 CB HIS A 65 -3.667 2.204 -7.088 1.00 0.00 C ATOM 994 CG HIS A 65 -4.024 3.594 -6.720 1.00 0.00 C ATOM 995 ND1 HIS A 65 -3.879 4.077 -5.449 1.00 0.00 N ATOM 996 CD2 HIS A 65 -4.519 4.611 -7.459 1.00 0.00 C ATOM 997 CE1 HIS A 65 -4.276 5.344 -5.443 1.00 0.00 C ATOM 998 NE2 HIS A 65 -4.678 5.726 -6.641 1.00 0.00 N ATOM 0 H HIS A 65 -2.188 0.098 -7.044 1.00 0.00 H new ATOM 0 HA HIS A 65 -2.970 2.081 -5.092 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -2.815 2.211 -7.768 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -4.497 1.740 -7.621 1.00 0.00 H new ATOM 0 HD1 HIS A 65 -3.527 3.555 -4.646 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -4.753 4.566 -8.512 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -4.271 5.980 -4.570 1.00 0.00 H new ATOM 1006 N ILE A 66 -5.227 1.266 -4.383 1.00 0.00 N ATOM 1007 CA ILE A 66 -6.426 0.661 -3.837 1.00 0.00 C ATOM 1008 C ILE A 66 -7.600 0.887 -4.770 1.00 0.00 C ATOM 1009 O ILE A 66 -8.153 1.979 -4.836 1.00 0.00 O ATOM 1010 CB ILE A 66 -6.760 1.224 -2.442 1.00 0.00 C ATOM 1011 CG1 ILE A 66 -5.609 2.089 -1.941 1.00 0.00 C ATOM 1012 CG2 ILE A 66 -7.042 0.094 -1.465 1.00 0.00 C ATOM 1013 CD1 ILE A 66 -4.264 1.397 -1.997 1.00 0.00 C ATOM 0 H ILE A 66 -4.959 2.154 -3.958 1.00 0.00 H new ATOM 0 HA ILE A 66 -6.238 -0.408 -3.738 1.00 0.00 H new ATOM 0 HB ILE A 66 -7.656 1.841 -2.517 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -5.564 3.001 -2.537 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -5.812 2.389 -0.913 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -7.276 0.510 -0.485 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -7.889 -0.493 -1.822 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -6.164 -0.547 -1.387 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -3.492 2.071 -1.626 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -4.290 0.500 -1.379 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -4.039 1.121 -3.027 1.00 0.00 H new ATOM 1025 N LYS A 67 -7.993 -0.158 -5.477 1.00 0.00 N ATOM 1026 CA LYS A 67 -9.116 -0.061 -6.384 1.00 0.00 C ATOM 1027 C LYS A 67 -10.391 0.049 -5.570 1.00 0.00 C ATOM 1028 O LYS A 67 -10.464 -0.496 -4.467 1.00 0.00 O ATOM 1029 CB LYS A 67 -9.171 -1.275 -7.310 1.00 0.00 C ATOM 1030 CG LYS A 67 -10.199 -1.143 -8.421 1.00 0.00 C ATOM 1031 CD LYS A 67 -9.678 -0.286 -9.564 1.00 0.00 C ATOM 1032 CE LYS A 67 -9.455 1.152 -9.126 1.00 0.00 C ATOM 1033 NZ LYS A 67 -8.028 1.416 -8.793 1.00 0.00 N ATOM 0 H LYS A 67 -7.552 -1.077 -5.439 1.00 0.00 H new ATOM 0 HA LYS A 67 -9.003 0.824 -7.010 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -8.187 -1.429 -7.753 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -9.398 -2.163 -6.719 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -10.460 -2.133 -8.796 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -11.113 -0.703 -8.022 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -8.742 -0.703 -9.936 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -10.388 -0.310 -10.391 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -9.773 1.827 -9.920 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -10.076 1.367 -8.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -7.975 2.105 -8.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -7.570 0.529 -8.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -7.542 1.799 -9.629 1.00 0.00 H new ATOM 1047 N GLU A 68 -11.379 0.759 -6.107 1.00 0.00 N ATOM 1048 CA GLU A 68 -12.649 0.955 -5.415 1.00 0.00 C ATOM 1049 C GLU A 68 -13.786 0.281 -6.177 1.00 0.00 C ATOM 1050 O GLU A 68 -13.862 0.374 -7.402 1.00 0.00 O ATOM 1051 CB GLU A 68 -12.937 2.457 -5.276 1.00 0.00 C ATOM 1052 CG GLU A 68 -12.199 3.122 -4.125 1.00 0.00 C ATOM 1053 CD GLU A 68 -13.076 4.093 -3.358 1.00 0.00 C ATOM 1054 OE1 GLU A 68 -14.313 3.922 -3.381 1.00 0.00 O ATOM 1055 OE2 GLU A 68 -12.525 5.024 -2.734 1.00 0.00 O ATOM 0 H GLU A 68 -11.324 1.209 -7.021 1.00 0.00 H new ATOM 0 HA GLU A 68 -12.579 0.504 -4.425 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -12.665 2.957 -6.206 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -14.009 2.600 -5.139 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -11.829 2.356 -3.444 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -11.329 3.652 -4.513 1.00 0.00 H new ATOM 1062 N THR A 69 -14.666 -0.403 -5.448 1.00 0.00 N ATOM 1063 CA THR A 69 -15.788 -1.094 -6.069 1.00 0.00 C ATOM 1064 C THR A 69 -17.063 -0.897 -5.257 1.00 0.00 C ATOM 1065 O THR A 69 -17.013 -0.534 -4.081 1.00 0.00 O ATOM 1066 CB THR A 69 -15.481 -2.586 -6.203 1.00 0.00 C ATOM 1067 OG1 THR A 69 -16.561 -3.266 -6.818 1.00 0.00 O ATOM 1068 CG2 THR A 69 -15.208 -3.263 -4.877 1.00 0.00 C ATOM 0 H THR A 69 -14.622 -0.492 -4.433 1.00 0.00 H new ATOM 0 HA THR A 69 -15.941 -0.670 -7.061 1.00 0.00 H new ATOM 0 HB THR A 69 -14.579 -2.642 -6.813 1.00 0.00 H new ATOM 0 HG1 THR A 69 -16.962 -3.890 -6.177 1.00 0.00 H new ATOM 0 HG21 THR A 69 -14.998 -4.319 -5.044 1.00 0.00 H new ATOM 0 HG22 THR A 69 -14.349 -2.793 -4.399 1.00 0.00 H new ATOM 0 HG23 THR A 69 -16.081 -3.165 -4.232 1.00 0.00 H new ATOM 1076 N ASN A 70 -18.205 -1.144 -5.890 1.00 0.00 N ATOM 1077 CA ASN A 70 -19.493 -0.999 -5.223 1.00 0.00 C ATOM 1078 C ASN A 70 -19.789 -2.216 -4.354 1.00 0.00 C ATOM 1079 O ASN A 70 -20.945 -2.604 -4.186 1.00 0.00 O ATOM 1080 CB ASN A 70 -20.607 -0.808 -6.253 1.00 0.00 C ATOM 1081 CG ASN A 70 -21.988 -0.932 -5.641 1.00 0.00 C ATOM 1082 OD1 ASN A 70 -22.156 -0.804 -4.429 1.00 0.00 O ATOM 1083 ND2 ASN A 70 -22.986 -1.183 -6.481 1.00 0.00 N ATOM 0 H ASN A 70 -18.265 -1.445 -6.863 1.00 0.00 H new ATOM 0 HA ASN A 70 -19.448 -0.118 -4.583 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -20.505 0.173 -6.717 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -20.496 -1.548 -7.045 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -23.938 -1.277 -6.128 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -22.800 -1.281 -7.479 1.00 0.00 H new ATOM 1090 N ASP A 71 -18.736 -2.817 -3.806 1.00 0.00 N ATOM 1091 CA ASP A 71 -18.884 -3.991 -2.958 1.00 0.00 C ATOM 1092 C ASP A 71 -19.355 -3.598 -1.569 1.00 0.00 C ATOM 1093 O ASP A 71 -19.384 -4.411 -0.645 1.00 0.00 O ATOM 1094 CB ASP A 71 -17.562 -4.747 -2.867 1.00 0.00 C ATOM 1095 CG ASP A 71 -17.232 -5.493 -4.145 1.00 0.00 C ATOM 1096 OD1 ASP A 71 -18.021 -5.398 -5.109 1.00 0.00 O ATOM 1097 OD2 ASP A 71 -16.184 -6.171 -4.183 1.00 0.00 O ATOM 0 H ASP A 71 -17.772 -2.509 -3.935 1.00 0.00 H new ATOM 0 HA ASP A 71 -19.635 -4.642 -3.406 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -16.760 -4.044 -2.643 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -17.607 -5.454 -2.039 1.00 0.00 H new ATOM 1102 N SER A 72 -19.721 -2.340 -1.444 1.00 0.00 N ATOM 1103 CA SER A 72 -20.200 -1.791 -0.181 1.00 0.00 C ATOM 1104 C SER A 72 -20.725 -2.896 0.732 1.00 0.00 C ATOM 1105 O SER A 72 -21.700 -3.572 0.406 1.00 0.00 O ATOM 1106 CB SER A 72 -21.300 -0.759 -0.434 1.00 0.00 C ATOM 1107 OG SER A 72 -22.528 -1.390 -0.756 1.00 0.00 O ATOM 0 H SER A 72 -19.697 -1.666 -2.209 1.00 0.00 H new ATOM 0 HA SER A 72 -19.360 -1.304 0.315 1.00 0.00 H new ATOM 0 HB2 SER A 72 -21.429 -0.136 0.451 1.00 0.00 H new ATOM 0 HB3 SER A 72 -21.003 -0.098 -1.248 1.00 0.00 H new ATOM 0 HG SER A 72 -22.420 -2.363 -0.704 1.00 0.00 H new ATOM 1113 N PRO A 73 -20.078 -3.091 1.890 1.00 0.00 N ATOM 1114 CA PRO A 73 -18.913 -2.295 2.294 1.00 0.00 C ATOM 1115 C PRO A 73 -17.775 -2.390 1.284 1.00 0.00 C ATOM 1116 O PRO A 73 -17.385 -1.392 0.676 1.00 0.00 O ATOM 1117 CB PRO A 73 -18.493 -2.917 3.631 1.00 0.00 C ATOM 1118 CG PRO A 73 -19.706 -3.630 4.124 1.00 0.00 C ATOM 1119 CD PRO A 73 -20.431 -4.103 2.897 1.00 0.00 C ATOM 0 HA PRO A 73 -19.151 -1.234 2.363 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -17.657 -3.604 3.501 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -18.170 -2.152 4.338 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -19.433 -4.469 4.764 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -20.335 -2.967 4.718 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -20.108 -5.100 2.597 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -21.508 -4.152 3.059 1.00 0.00 H new ATOM 1127 N LYS A 74 -17.246 -3.597 1.110 1.00 0.00 N ATOM 1128 CA LYS A 74 -16.153 -3.825 0.171 1.00 0.00 C ATOM 1129 C LYS A 74 -16.198 -2.825 -0.971 1.00 0.00 C ATOM 1130 O LYS A 74 -17.250 -2.576 -1.558 1.00 0.00 O ATOM 1131 CB LYS A 74 -16.211 -5.251 -0.377 1.00 0.00 C ATOM 1132 CG LYS A 74 -15.345 -6.234 0.393 1.00 0.00 C ATOM 1133 CD LYS A 74 -16.177 -7.098 1.325 1.00 0.00 C ATOM 1134 CE LYS A 74 -16.803 -8.271 0.588 1.00 0.00 C ATOM 1135 NZ LYS A 74 -17.676 -9.084 1.477 1.00 0.00 N ATOM 0 H LYS A 74 -17.556 -4.432 1.607 1.00 0.00 H new ATOM 0 HA LYS A 74 -15.214 -3.689 0.708 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -17.244 -5.597 -0.357 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -15.897 -5.243 -1.421 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -14.804 -6.870 -0.308 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -14.599 -5.688 0.970 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -15.550 -7.469 2.135 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -16.961 -6.493 1.780 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -17.387 -7.900 -0.254 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -16.016 -8.903 0.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -18.083 -9.873 0.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -17.113 -9.459 2.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -18.442 -8.488 1.850 1.00 0.00 H new ATOM 1149 N ARG A 75 -15.045 -2.254 -1.279 1.00 0.00 N ATOM 1150 CA ARG A 75 -14.941 -1.281 -2.350 1.00 0.00 C ATOM 1151 C ARG A 75 -13.503 -1.152 -2.827 1.00 0.00 C ATOM 1152 O ARG A 75 -13.228 -1.202 -4.025 1.00 0.00 O ATOM 1153 CB ARG A 75 -15.442 0.083 -1.880 1.00 0.00 C ATOM 1154 CG ARG A 75 -15.399 0.261 -0.373 1.00 0.00 C ATOM 1155 CD ARG A 75 -16.514 1.172 0.112 1.00 0.00 C ATOM 1156 NE ARG A 75 -17.650 1.184 -0.804 1.00 0.00 N ATOM 1157 CZ ARG A 75 -18.352 2.274 -1.094 1.00 0.00 C ATOM 1158 NH1 ARG A 75 -18.035 3.436 -0.541 1.00 0.00 N ATOM 1159 NH2 ARG A 75 -19.372 2.203 -1.938 1.00 0.00 N ATOM 0 H ARG A 75 -14.166 -2.449 -0.800 1.00 0.00 H new ATOM 0 HA ARG A 75 -15.559 -1.629 -3.178 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -14.840 0.862 -2.347 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -16.467 0.223 -2.225 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -15.485 -0.711 0.112 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -14.435 0.678 -0.082 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -16.847 0.845 1.097 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -16.130 2.186 0.226 1.00 0.00 H new ATOM 0 HE ARG A 75 -17.920 0.306 -1.247 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -17.251 3.495 0.109 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -18.575 4.272 -0.765 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -19.619 1.311 -2.366 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -19.910 3.041 -2.160 1.00 0.00 H new ATOM 1173 N TYR A 76 -12.590 -0.952 -1.886 1.00 0.00 N ATOM 1174 CA TYR A 76 -11.190 -0.773 -2.223 1.00 0.00 C ATOM 1175 C TYR A 76 -10.421 -2.088 -2.203 1.00 0.00 C ATOM 1176 O TYR A 76 -10.701 -2.977 -1.401 1.00 0.00 O ATOM 1177 CB TYR A 76 -10.556 0.222 -1.260 1.00 0.00 C ATOM 1178 CG TYR A 76 -11.479 1.363 -0.935 1.00 0.00 C ATOM 1179 CD1 TYR A 76 -12.668 1.517 -1.629 1.00 0.00 C ATOM 1180 CD2 TYR A 76 -11.175 2.273 0.063 1.00 0.00 C ATOM 1181 CE1 TYR A 76 -13.532 2.544 -1.343 1.00 0.00 C ATOM 1182 CE2 TYR A 76 -12.037 3.311 0.361 1.00 0.00 C ATOM 1183 CZ TYR A 76 -13.217 3.443 -0.345 1.00 0.00 C ATOM 1184 OH TYR A 76 -14.079 4.475 -0.054 1.00 0.00 O ATOM 0 H TYR A 76 -12.796 -0.910 -0.888 1.00 0.00 H new ATOM 0 HA TYR A 76 -11.139 -0.387 -3.241 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -10.278 -0.292 -0.340 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -9.637 0.613 -1.697 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -12.920 0.815 -2.410 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -10.253 2.170 0.615 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -14.454 2.648 -1.896 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -11.790 4.015 1.142 1.00 0.00 H new ATOM 0 HH TYR A 76 -13.708 5.016 0.674 1.00 0.00 H new ATOM 1194 N TYR A 77 -9.438 -2.182 -3.092 1.00 0.00 N ATOM 1195 CA TYR A 77 -8.586 -3.374 -3.199 1.00 0.00 C ATOM 1196 C TYR A 77 -7.355 -3.080 -4.054 1.00 0.00 C ATOM 1197 O TYR A 77 -7.239 -2.002 -4.628 1.00 0.00 O ATOM 1198 CB TYR A 77 -9.362 -4.561 -3.780 1.00 0.00 C ATOM 1199 CG TYR A 77 -9.747 -4.399 -5.230 1.00 0.00 C ATOM 1200 CD1 TYR A 77 -10.747 -3.509 -5.598 1.00 0.00 C ATOM 1201 CD2 TYR A 77 -9.117 -5.138 -6.230 1.00 0.00 C ATOM 1202 CE1 TYR A 77 -11.114 -3.353 -6.919 1.00 0.00 C ATOM 1203 CE2 TYR A 77 -9.480 -4.983 -7.556 1.00 0.00 C ATOM 1204 CZ TYR A 77 -10.477 -4.090 -7.894 1.00 0.00 C ATOM 1205 OH TYR A 77 -10.840 -3.940 -9.214 1.00 0.00 O ATOM 0 H TYR A 77 -9.206 -1.444 -3.756 1.00 0.00 H new ATOM 0 HA TYR A 77 -8.261 -3.640 -2.193 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -8.758 -5.462 -3.675 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -10.266 -4.713 -3.191 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -11.247 -2.928 -4.837 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -8.338 -5.838 -5.967 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -11.896 -2.658 -7.187 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -8.985 -5.559 -8.324 1.00 0.00 H new ATOM 0 HH TYR A 77 -10.039 -3.793 -9.759 1.00 0.00 H new ATOM 1215 N VAL A 78 -6.433 -4.036 -4.142 1.00 0.00 N ATOM 1216 CA VAL A 78 -5.224 -3.844 -4.940 1.00 0.00 C ATOM 1217 C VAL A 78 -4.761 -5.150 -5.560 1.00 0.00 C ATOM 1218 O VAL A 78 -3.646 -5.606 -5.307 1.00 0.00 O ATOM 1219 CB VAL A 78 -4.065 -3.258 -4.113 1.00 0.00 C ATOM 1220 CG1 VAL A 78 -4.430 -1.891 -3.563 1.00 0.00 C ATOM 1221 CG2 VAL A 78 -3.668 -4.207 -2.993 1.00 0.00 C ATOM 0 H VAL A 78 -6.498 -4.941 -3.677 1.00 0.00 H new ATOM 0 HA VAL A 78 -5.491 -3.135 -5.723 1.00 0.00 H new ATOM 0 HB VAL A 78 -3.206 -3.136 -4.772 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -3.595 -1.498 -2.982 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -4.649 -1.213 -4.388 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -5.308 -1.979 -2.923 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -2.848 -3.773 -2.422 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.522 -4.371 -2.335 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -3.350 -5.159 -3.418 1.00 0.00 H new ATOM 1231 N ALA A 79 -5.619 -5.748 -6.372 1.00 0.00 N ATOM 1232 CA ALA A 79 -5.286 -7.003 -7.022 1.00 0.00 C ATOM 1233 C ALA A 79 -6.546 -7.747 -7.456 1.00 0.00 C ATOM 1234 O ALA A 79 -6.583 -8.976 -7.422 1.00 0.00 O ATOM 1235 CB ALA A 79 -4.453 -7.874 -6.082 1.00 0.00 C ATOM 0 H ALA A 79 -6.546 -5.386 -6.595 1.00 0.00 H new ATOM 0 HA ALA A 79 -4.701 -6.782 -7.915 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -4.208 -8.813 -6.578 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -3.533 -7.351 -5.821 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -5.023 -8.080 -5.176 1.00 0.00 H new ATOM 1241 N GLU A 80 -7.586 -7.006 -7.854 1.00 0.00 N ATOM 1242 CA GLU A 80 -8.833 -7.646 -8.265 1.00 0.00 C ATOM 1243 C GLU A 80 -8.931 -8.971 -7.544 1.00 0.00 C ATOM 1244 O GLU A 80 -9.333 -9.990 -8.104 1.00 0.00 O ATOM 1245 CB GLU A 80 -8.867 -7.856 -9.781 1.00 0.00 C ATOM 1246 CG GLU A 80 -9.465 -6.685 -10.543 1.00 0.00 C ATOM 1247 CD GLU A 80 -8.480 -6.054 -11.509 1.00 0.00 C ATOM 1248 OE1 GLU A 80 -7.336 -6.547 -11.597 1.00 0.00 O ATOM 1249 OE2 GLU A 80 -8.853 -5.066 -12.176 1.00 0.00 O ATOM 0 H GLU A 80 -7.588 -5.987 -7.899 1.00 0.00 H new ATOM 0 HA GLU A 80 -9.680 -7.010 -8.009 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -7.852 -8.031 -10.138 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -9.442 -8.755 -10.002 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -10.342 -7.025 -11.094 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -9.807 -5.931 -9.834 1.00 0.00 H new ATOM 1256 N LYS A 81 -8.499 -8.932 -6.295 1.00 0.00 N ATOM 1257 CA LYS A 81 -8.454 -10.098 -5.444 1.00 0.00 C ATOM 1258 C LYS A 81 -9.340 -9.909 -4.211 1.00 0.00 C ATOM 1259 O LYS A 81 -10.322 -10.628 -4.031 1.00 0.00 O ATOM 1260 CB LYS A 81 -6.990 -10.327 -5.091 1.00 0.00 C ATOM 1261 CG LYS A 81 -6.638 -10.133 -3.638 1.00 0.00 C ATOM 1262 CD LYS A 81 -5.502 -9.132 -3.496 1.00 0.00 C ATOM 1263 CE LYS A 81 -4.156 -9.825 -3.400 1.00 0.00 C ATOM 1264 NZ LYS A 81 -3.316 -9.247 -2.318 1.00 0.00 N ATOM 0 H LYS A 81 -8.168 -8.080 -5.843 1.00 0.00 H new ATOM 0 HA LYS A 81 -8.850 -10.979 -5.950 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -6.718 -11.342 -5.381 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -6.379 -9.650 -5.689 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -7.512 -9.781 -3.090 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -6.348 -11.087 -3.197 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -5.503 -8.455 -4.351 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -5.662 -8.522 -2.607 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -4.307 -10.889 -3.215 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -3.633 -9.738 -4.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -2.350 -9.624 -2.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -3.291 -8.212 -2.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -3.719 -9.500 -1.393 1.00 0.00 H new ATOM 1278 N TYR A 82 -9.020 -8.912 -3.388 1.00 0.00 N ATOM 1279 CA TYR A 82 -9.828 -8.609 -2.208 1.00 0.00 C ATOM 1280 C TYR A 82 -10.460 -7.239 -2.384 1.00 0.00 C ATOM 1281 O TYR A 82 -10.344 -6.627 -3.444 1.00 0.00 O ATOM 1282 CB TYR A 82 -9.005 -8.603 -0.911 1.00 0.00 C ATOM 1283 CG TYR A 82 -8.067 -9.773 -0.736 1.00 0.00 C ATOM 1284 CD1 TYR A 82 -6.807 -9.743 -1.292 1.00 0.00 C ATOM 1285 CD2 TYR A 82 -8.437 -10.894 -0.005 1.00 0.00 C ATOM 1286 CE1 TYR A 82 -5.926 -10.791 -1.139 1.00 0.00 C ATOM 1287 CE2 TYR A 82 -7.565 -11.954 0.159 1.00 0.00 C ATOM 1288 CZ TYR A 82 -6.308 -11.898 -0.411 1.00 0.00 C ATOM 1289 OH TYR A 82 -5.435 -12.949 -0.252 1.00 0.00 O ATOM 0 H TYR A 82 -8.212 -8.303 -3.515 1.00 0.00 H new ATOM 0 HA TYR A 82 -10.581 -9.392 -2.120 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -8.422 -7.683 -0.874 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -9.692 -8.579 -0.065 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -6.503 -8.877 -1.861 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -9.419 -10.938 0.442 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -4.944 -10.746 -1.586 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -7.865 -12.821 0.729 1.00 0.00 H new ATOM 0 HH TYR A 82 -5.859 -13.648 0.288 1.00 0.00 H new ATOM 1299 N VAL A 83 -11.103 -6.754 -1.337 1.00 0.00 N ATOM 1300 CA VAL A 83 -11.724 -5.441 -1.369 1.00 0.00 C ATOM 1301 C VAL A 83 -12.135 -5.018 0.032 1.00 0.00 C ATOM 1302 O VAL A 83 -12.437 -5.858 0.880 1.00 0.00 O ATOM 1303 CB VAL A 83 -12.943 -5.393 -2.309 1.00 0.00 C ATOM 1304 CG1 VAL A 83 -13.284 -3.952 -2.648 1.00 0.00 C ATOM 1305 CG2 VAL A 83 -12.675 -6.192 -3.577 1.00 0.00 C ATOM 0 H VAL A 83 -11.209 -7.250 -0.452 1.00 0.00 H new ATOM 0 HA VAL A 83 -10.981 -4.745 -1.759 1.00 0.00 H new ATOM 0 HB VAL A 83 -13.794 -5.843 -1.798 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -14.147 -3.929 -3.313 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -13.517 -3.408 -1.733 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -12.433 -3.483 -3.142 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -13.548 -6.146 -4.228 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -11.813 -5.773 -4.096 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -12.472 -7.231 -3.316 1.00 0.00 H new ATOM 1315 N PHE A 84 -12.127 -3.716 0.280 1.00 0.00 N ATOM 1316 CA PHE A 84 -12.482 -3.200 1.593 1.00 0.00 C ATOM 1317 C PHE A 84 -13.046 -1.789 1.498 1.00 0.00 C ATOM 1318 O PHE A 84 -12.889 -1.113 0.482 1.00 0.00 O ATOM 1319 CB PHE A 84 -11.256 -3.232 2.505 1.00 0.00 C ATOM 1320 CG PHE A 84 -10.533 -4.548 2.452 1.00 0.00 C ATOM 1321 CD1 PHE A 84 -9.728 -4.869 1.371 1.00 0.00 C ATOM 1322 CD2 PHE A 84 -10.672 -5.470 3.477 1.00 0.00 C ATOM 1323 CE1 PHE A 84 -9.074 -6.085 1.312 1.00 0.00 C ATOM 1324 CE2 PHE A 84 -10.023 -6.689 3.421 1.00 0.00 C ATOM 1325 CZ PHE A 84 -9.224 -6.996 2.339 1.00 0.00 C ATOM 0 H PHE A 84 -11.880 -3.002 -0.406 1.00 0.00 H new ATOM 0 HA PHE A 84 -13.260 -3.835 2.017 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -10.572 -2.434 2.217 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -11.565 -3.032 3.531 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -9.610 -4.160 0.565 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -11.294 -5.234 4.328 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -8.447 -6.322 0.465 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -10.141 -7.401 4.224 1.00 0.00 H new ATOM 0 HZ PHE A 84 -8.716 -7.948 2.295 1.00 0.00 H new ATOM 1335 N ASP A 85 -13.707 -1.358 2.562 1.00 0.00 N ATOM 1336 CA ASP A 85 -14.304 -0.031 2.602 1.00 0.00 C ATOM 1337 C ASP A 85 -13.317 0.988 3.157 1.00 0.00 C ATOM 1338 O ASP A 85 -13.712 2.036 3.666 1.00 0.00 O ATOM 1339 CB ASP A 85 -15.575 -0.044 3.452 1.00 0.00 C ATOM 1340 CG ASP A 85 -16.443 1.175 3.212 1.00 0.00 C ATOM 1341 OD1 ASP A 85 -15.912 2.304 3.272 1.00 0.00 O ATOM 1342 OD2 ASP A 85 -17.656 1.002 2.967 1.00 0.00 O ATOM 0 H ASP A 85 -13.844 -1.908 3.410 1.00 0.00 H new ATOM 0 HA ASP A 85 -14.563 0.256 1.583 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -16.148 -0.944 3.230 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -15.303 -0.091 4.507 1.00 0.00 H new ATOM 1347 N SER A 86 -12.032 0.671 3.053 1.00 0.00 N ATOM 1348 CA SER A 86 -10.991 1.560 3.546 1.00 0.00 C ATOM 1349 C SER A 86 -9.611 0.927 3.406 1.00 0.00 C ATOM 1350 O SER A 86 -9.419 -0.271 3.662 1.00 0.00 O ATOM 1351 CB SER A 86 -11.252 1.925 5.006 1.00 0.00 C ATOM 1352 OG SER A 86 -11.601 3.292 5.137 1.00 0.00 O ATOM 0 H SER A 86 -11.688 -0.193 2.633 1.00 0.00 H new ATOM 0 HA SER A 86 -11.013 2.467 2.941 1.00 0.00 H new ATOM 0 HB2 SER A 86 -12.054 1.302 5.402 1.00 0.00 H new ATOM 0 HB3 SER A 86 -10.363 1.715 5.601 1.00 0.00 H new ATOM 0 HG SER A 86 -12.454 3.457 4.683 1.00 0.00 H new ATOM 1358 N ILE A 87 -8.648 1.741 2.998 1.00 0.00 N ATOM 1359 CA ILE A 87 -7.288 1.273 2.825 1.00 0.00 C ATOM 1360 C ILE A 87 -6.763 0.647 4.107 1.00 0.00 C ATOM 1361 O ILE A 87 -6.153 -0.412 4.075 1.00 0.00 O ATOM 1362 CB ILE A 87 -6.343 2.406 2.394 1.00 0.00 C ATOM 1363 CG1 ILE A 87 -6.222 2.443 0.873 1.00 0.00 C ATOM 1364 CG2 ILE A 87 -4.973 2.215 3.023 1.00 0.00 C ATOM 1365 CD1 ILE A 87 -7.524 2.728 0.158 1.00 0.00 C ATOM 0 H ILE A 87 -8.787 2.728 2.782 1.00 0.00 H new ATOM 0 HA ILE A 87 -7.313 0.522 2.035 1.00 0.00 H new ATOM 0 HB ILE A 87 -6.757 3.355 2.736 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -5.493 3.204 0.595 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -5.831 1.486 0.527 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -4.313 3.024 2.710 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -5.067 2.223 4.109 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -4.555 1.261 2.702 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -7.353 2.737 -0.919 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -8.251 1.954 0.403 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -7.907 3.698 0.473 1.00 0.00 H new ATOM 1377 N PRO A 88 -7.001 1.285 5.264 1.00 0.00 N ATOM 1378 CA PRO A 88 -6.537 0.748 6.541 1.00 0.00 C ATOM 1379 C PRO A 88 -6.996 -0.689 6.716 1.00 0.00 C ATOM 1380 O PRO A 88 -6.195 -1.575 7.013 1.00 0.00 O ATOM 1381 CB PRO A 88 -7.183 1.662 7.580 1.00 0.00 C ATOM 1382 CG PRO A 88 -7.480 2.930 6.849 1.00 0.00 C ATOM 1383 CD PRO A 88 -7.738 2.547 5.416 1.00 0.00 C ATOM 0 HA PRO A 88 -5.450 0.727 6.623 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -8.092 1.218 7.985 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -6.513 1.839 8.421 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -8.347 3.431 7.279 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -6.643 3.624 6.920 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -8.802 2.417 5.220 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -7.377 3.309 4.725 1.00 0.00 H new ATOM 1391 N LEU A 89 -8.280 -0.927 6.475 1.00 0.00 N ATOM 1392 CA LEU A 89 -8.820 -2.276 6.546 1.00 0.00 C ATOM 1393 C LEU A 89 -8.182 -3.079 5.429 1.00 0.00 C ATOM 1394 O LEU A 89 -7.585 -4.144 5.651 1.00 0.00 O ATOM 1395 CB LEU A 89 -10.348 -2.280 6.389 1.00 0.00 C ATOM 1396 CG LEU A 89 -10.956 -1.003 5.803 1.00 0.00 C ATOM 1397 CD1 LEU A 89 -12.118 -1.341 4.883 1.00 0.00 C ATOM 1398 CD2 LEU A 89 -11.403 -0.068 6.914 1.00 0.00 C ATOM 0 H LEU A 89 -8.961 -0.208 6.231 1.00 0.00 H new ATOM 0 HA LEU A 89 -8.597 -2.710 7.521 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -10.628 -3.119 5.752 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -10.795 -2.458 7.367 1.00 0.00 H new ATOM 0 HG LEU A 89 -10.192 -0.494 5.215 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -12.538 -0.422 4.475 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -11.765 -1.972 4.067 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -12.885 -1.872 5.446 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -11.833 0.834 6.479 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -12.152 -0.566 7.530 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -10.546 0.200 7.531 1.00 0.00 H new ATOM 1410 N LEU A 90 -8.278 -2.519 4.224 1.00 0.00 N ATOM 1411 CA LEU A 90 -7.684 -3.130 3.052 1.00 0.00 C ATOM 1412 C LEU A 90 -6.203 -3.381 3.313 1.00 0.00 C ATOM 1413 O LEU A 90 -5.636 -4.382 2.879 1.00 0.00 O ATOM 1414 CB LEU A 90 -7.875 -2.216 1.843 1.00 0.00 C ATOM 1415 CG LEU A 90 -7.296 -2.740 0.531 1.00 0.00 C ATOM 1416 CD1 LEU A 90 -8.156 -2.291 -0.637 1.00 0.00 C ATOM 1417 CD2 LEU A 90 -5.861 -2.267 0.355 1.00 0.00 C ATOM 0 H LEU A 90 -8.764 -1.641 4.041 1.00 0.00 H new ATOM 0 HA LEU A 90 -8.170 -4.083 2.842 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -8.942 -2.041 1.706 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -7.419 -1.251 2.062 1.00 0.00 H new ATOM 0 HG LEU A 90 -7.293 -3.830 0.560 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -7.733 -2.671 -1.567 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -9.168 -2.678 -0.514 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -8.185 -1.202 -0.670 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -5.464 -2.650 -0.585 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -5.836 -1.177 0.342 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -5.253 -2.634 1.182 1.00 0.00 H new ATOM 1429 N ILE A 91 -5.588 -2.470 4.058 1.00 0.00 N ATOM 1430 CA ILE A 91 -4.189 -2.604 4.420 1.00 0.00 C ATOM 1431 C ILE A 91 -4.067 -3.566 5.587 1.00 0.00 C ATOM 1432 O ILE A 91 -3.200 -4.441 5.608 1.00 0.00 O ATOM 1433 CB ILE A 91 -3.544 -1.254 4.800 1.00 0.00 C ATOM 1434 CG1 ILE A 91 -3.707 -0.247 3.667 1.00 0.00 C ATOM 1435 CG2 ILE A 91 -2.068 -1.448 5.115 1.00 0.00 C ATOM 1436 CD1 ILE A 91 -3.069 -0.700 2.379 1.00 0.00 C ATOM 0 H ILE A 91 -6.040 -1.631 4.422 1.00 0.00 H new ATOM 0 HA ILE A 91 -3.658 -2.983 3.547 1.00 0.00 H new ATOM 0 HB ILE A 91 -4.048 -0.867 5.686 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -4.769 -0.069 3.497 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -3.268 0.704 3.968 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -1.624 -0.489 5.382 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -1.962 -2.141 5.949 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -1.559 -1.853 4.240 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -3.219 0.059 1.612 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -2.001 -0.851 2.536 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -3.525 -1.636 2.057 1.00 0.00 H new ATOM 1448 N GLN A 92 -4.966 -3.405 6.555 1.00 0.00 N ATOM 1449 CA GLN A 92 -4.989 -4.268 7.723 1.00 0.00 C ATOM 1450 C GLN A 92 -5.045 -5.716 7.278 1.00 0.00 C ATOM 1451 O GLN A 92 -4.324 -6.566 7.800 1.00 0.00 O ATOM 1452 CB GLN A 92 -6.192 -3.939 8.610 1.00 0.00 C ATOM 1453 CG GLN A 92 -5.967 -2.742 9.520 1.00 0.00 C ATOM 1454 CD GLN A 92 -4.497 -2.438 9.733 1.00 0.00 C ATOM 1455 OE1 GLN A 92 -3.974 -2.587 10.836 1.00 0.00 O ATOM 1456 NE2 GLN A 92 -3.823 -2.008 8.672 1.00 0.00 N ATOM 0 H GLN A 92 -5.687 -2.683 6.549 1.00 0.00 H new ATOM 0 HA GLN A 92 -4.082 -4.104 8.305 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -7.058 -3.746 7.977 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -6.432 -4.809 9.221 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -6.456 -1.868 9.091 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -6.439 -2.930 10.485 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -4.298 -1.899 7.776 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -2.831 -1.787 8.754 1.00 0.00 H new ATOM 1465 N TYR A 93 -5.895 -5.993 6.290 1.00 0.00 N ATOM 1466 CA TYR A 93 -6.015 -7.347 5.770 1.00 0.00 C ATOM 1467 C TYR A 93 -4.771 -7.720 4.964 1.00 0.00 C ATOM 1468 O TYR A 93 -4.328 -8.867 4.989 1.00 0.00 O ATOM 1469 CB TYR A 93 -7.262 -7.494 4.899 1.00 0.00 C ATOM 1470 CG TYR A 93 -6.953 -7.544 3.424 1.00 0.00 C ATOM 1471 CD1 TYR A 93 -6.794 -6.373 2.701 1.00 0.00 C ATOM 1472 CD2 TYR A 93 -6.815 -8.755 2.755 1.00 0.00 C ATOM 1473 CE1 TYR A 93 -6.507 -6.399 1.352 1.00 0.00 C ATOM 1474 CE2 TYR A 93 -6.525 -8.790 1.405 1.00 0.00 C ATOM 1475 CZ TYR A 93 -6.373 -7.610 0.710 1.00 0.00 C ATOM 1476 OH TYR A 93 -6.087 -7.640 -0.633 1.00 0.00 O ATOM 0 H TYR A 93 -6.501 -5.306 5.841 1.00 0.00 H new ATOM 0 HA TYR A 93 -6.107 -8.024 6.619 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -7.791 -8.403 5.184 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -7.935 -6.659 5.095 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -6.897 -5.422 3.203 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -6.936 -9.681 3.298 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -6.388 -5.476 0.803 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -6.418 -9.737 0.897 1.00 0.00 H new ATOM 0 HH TYR A 93 -5.657 -8.492 -0.857 1.00 0.00 H new ATOM 1486 N HIS A 94 -4.194 -6.746 4.260 1.00 0.00 N ATOM 1487 CA HIS A 94 -3.003 -6.991 3.476 1.00 0.00 C ATOM 1488 C HIS A 94 -1.826 -7.283 4.397 1.00 0.00 C ATOM 1489 O HIS A 94 -1.019 -8.168 4.133 1.00 0.00 O ATOM 1490 CB HIS A 94 -2.704 -5.775 2.621 1.00 0.00 C ATOM 1491 CG HIS A 94 -3.419 -5.720 1.317 1.00 0.00 C ATOM 1492 ND1 HIS A 94 -3.513 -6.784 0.454 1.00 0.00 N ATOM 1493 CD2 HIS A 94 -4.068 -4.693 0.727 1.00 0.00 C ATOM 1494 CE1 HIS A 94 -4.190 -6.414 -0.617 1.00 0.00 C ATOM 1495 NE2 HIS A 94 -4.540 -5.149 -0.477 1.00 0.00 N ATOM 0 H HIS A 94 -4.537 -5.786 4.222 1.00 0.00 H new ATOM 0 HA HIS A 94 -3.166 -7.854 2.831 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -2.954 -4.880 3.191 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -1.631 -5.741 2.430 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -4.192 -3.698 1.129 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -4.419 -7.041 -1.466 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -5.073 -4.601 -1.152 1.00 0.00 H new ATOM 1504 N GLN A 95 -1.743 -6.524 5.483 1.00 0.00 N ATOM 1505 CA GLN A 95 -0.668 -6.683 6.457 1.00 0.00 C ATOM 1506 C GLN A 95 -0.627 -8.097 7.029 1.00 0.00 C ATOM 1507 O GLN A 95 0.432 -8.720 7.089 1.00 0.00 O ATOM 1508 CB GLN A 95 -0.845 -5.679 7.596 1.00 0.00 C ATOM 1509 CG GLN A 95 -1.186 -4.275 7.123 1.00 0.00 C ATOM 1510 CD GLN A 95 -0.240 -3.227 7.676 1.00 0.00 C ATOM 1511 OE1 GLN A 95 0.914 -3.520 7.992 1.00 0.00 O ATOM 1512 NE2 GLN A 95 -0.724 -1.997 7.796 1.00 0.00 N ATOM 0 H GLN A 95 -2.411 -5.788 5.713 1.00 0.00 H new ATOM 0 HA GLN A 95 0.274 -6.499 5.941 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -1.634 -6.031 8.260 1.00 0.00 H new ATOM 0 HB3 GLN A 95 0.073 -5.643 8.183 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -1.158 -4.246 6.034 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -2.206 -4.033 7.422 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -1.686 -1.799 7.522 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -0.134 -1.250 8.162 1.00 0.00 H new ATOM 1521 N TYR A 96 -1.780 -8.588 7.467 1.00 0.00 N ATOM 1522 CA TYR A 96 -1.869 -9.914 8.057 1.00 0.00 C ATOM 1523 C TYR A 96 -2.665 -10.874 7.183 1.00 0.00 C ATOM 1524 O TYR A 96 -2.298 -12.040 7.041 1.00 0.00 O ATOM 1525 CB TYR A 96 -2.501 -9.810 9.434 1.00 0.00 C ATOM 1526 CG TYR A 96 -3.912 -10.312 9.481 1.00 0.00 C ATOM 1527 CD1 TYR A 96 -4.167 -11.668 9.496 1.00 0.00 C ATOM 1528 CD2 TYR A 96 -4.981 -9.432 9.514 1.00 0.00 C ATOM 1529 CE1 TYR A 96 -5.460 -12.148 9.544 1.00 0.00 C ATOM 1530 CE2 TYR A 96 -6.279 -9.898 9.564 1.00 0.00 C ATOM 1531 CZ TYR A 96 -6.515 -11.258 9.579 1.00 0.00 C ATOM 1532 OH TYR A 96 -7.807 -11.730 9.628 1.00 0.00 O ATOM 0 H TYR A 96 -2.666 -8.085 7.424 1.00 0.00 H new ATOM 0 HA TYR A 96 -0.860 -10.317 8.141 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -1.899 -10.375 10.146 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -2.483 -8.769 9.756 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -3.342 -12.364 9.470 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -4.796 -8.368 9.500 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -5.645 -13.212 9.554 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -7.105 -9.203 9.591 1.00 0.00 H new ATOM 0 HH TYR A 96 -8.431 -10.974 9.648 1.00 0.00 H new ATOM 1542 N ASN A 97 -3.754 -10.389 6.602 1.00 0.00 N ATOM 1543 CA ASN A 97 -4.584 -11.229 5.752 1.00 0.00 C ATOM 1544 C ASN A 97 -3.847 -11.598 4.468 1.00 0.00 C ATOM 1545 O ASN A 97 -2.978 -10.858 4.006 1.00 0.00 O ATOM 1546 CB ASN A 97 -5.902 -10.528 5.416 1.00 0.00 C ATOM 1547 CG ASN A 97 -7.095 -11.225 6.033 1.00 0.00 C ATOM 1548 OD1 ASN A 97 -8.194 -11.214 5.479 1.00 0.00 O ATOM 1549 ND2 ASN A 97 -6.879 -11.836 7.189 1.00 0.00 N ATOM 0 H ASN A 97 -4.080 -9.428 6.703 1.00 0.00 H new ATOM 0 HA ASN A 97 -4.805 -12.144 6.302 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -5.863 -9.497 5.769 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -6.026 -10.490 4.334 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -7.642 -12.325 7.658 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -5.950 -11.818 7.610 1.00 0.00 H new ATOM 1556 N GLY A 98 -4.200 -12.745 3.898 1.00 0.00 N ATOM 1557 CA GLY A 98 -3.562 -13.192 2.672 1.00 0.00 C ATOM 1558 C GLY A 98 -2.855 -12.067 1.942 1.00 0.00 C ATOM 1559 O GLY A 98 -1.716 -12.223 1.501 1.00 0.00 O ATOM 0 H GLY A 98 -4.916 -13.373 4.262 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -2.843 -13.977 2.906 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -4.312 -13.632 2.015 1.00 0.00 H new ATOM 1563 N GLY A 99 -3.531 -10.930 1.813 1.00 0.00 N ATOM 1564 CA GLY A 99 -2.946 -9.790 1.132 1.00 0.00 C ATOM 1565 C GLY A 99 -1.833 -10.185 0.180 1.00 0.00 C ATOM 1566 O GLY A 99 -0.669 -9.858 0.407 1.00 0.00 O ATOM 0 H GLY A 99 -4.475 -10.778 2.169 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -3.724 -9.265 0.577 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -2.555 -9.091 1.872 1.00 0.00 H new ATOM 1570 N GLY A 100 -2.193 -10.890 -0.888 1.00 0.00 N ATOM 1571 CA GLY A 100 -1.208 -11.318 -1.863 1.00 0.00 C ATOM 1572 C GLY A 100 -0.094 -10.305 -2.059 1.00 0.00 C ATOM 1573 O GLY A 100 1.003 -10.660 -2.489 1.00 0.00 O ATOM 0 H GLY A 100 -3.151 -11.173 -1.095 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -0.777 -12.267 -1.545 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -1.703 -11.496 -2.818 1.00 0.00 H new ATOM 1577 N LEU A 101 -0.373 -9.042 -1.744 1.00 0.00 N ATOM 1578 CA LEU A 101 0.621 -7.984 -1.891 1.00 0.00 C ATOM 1579 C LEU A 101 2.031 -8.552 -1.738 1.00 0.00 C ATOM 1580 O LEU A 101 2.222 -9.572 -1.077 1.00 0.00 O ATOM 1581 CB LEU A 101 0.375 -6.881 -0.855 1.00 0.00 C ATOM 1582 CG LEU A 101 -0.354 -5.649 -1.387 1.00 0.00 C ATOM 1583 CD1 LEU A 101 -1.794 -5.995 -1.751 1.00 0.00 C ATOM 1584 CD2 LEU A 101 -0.305 -4.533 -0.353 1.00 0.00 C ATOM 0 H LEU A 101 -1.275 -8.728 -1.387 1.00 0.00 H new ATOM 0 HA LEU A 101 0.529 -7.555 -2.889 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -0.203 -7.299 -0.031 1.00 0.00 H new ATOM 0 HB3 LEU A 101 1.335 -6.568 -0.444 1.00 0.00 H new ATOM 0 HG LEU A 101 0.145 -5.304 -2.293 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -2.298 -5.105 -2.128 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -1.799 -6.768 -2.519 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -2.315 -6.359 -0.866 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -0.827 -3.657 -0.738 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -0.787 -4.867 0.566 1.00 0.00 H new ATOM 0 HD23 LEU A 101 0.733 -4.275 -0.145 1.00 0.00 H new ATOM 1596 N VAL A 102 3.015 -7.894 -2.355 1.00 0.00 N ATOM 1597 CA VAL A 102 4.400 -8.356 -2.277 1.00 0.00 C ATOM 1598 C VAL A 102 4.570 -9.328 -1.122 1.00 0.00 C ATOM 1599 O VAL A 102 5.192 -10.381 -1.258 1.00 0.00 O ATOM 1600 CB VAL A 102 5.389 -7.192 -2.081 1.00 0.00 C ATOM 1601 CG1 VAL A 102 5.752 -6.561 -3.416 1.00 0.00 C ATOM 1602 CG2 VAL A 102 4.817 -6.158 -1.124 1.00 0.00 C ATOM 0 H VAL A 102 2.880 -7.048 -2.909 1.00 0.00 H new ATOM 0 HA VAL A 102 4.619 -8.847 -3.225 1.00 0.00 H new ATOM 0 HB VAL A 102 6.303 -7.590 -1.640 1.00 0.00 H new ATOM 0 HG11 VAL A 102 6.452 -5.741 -3.253 1.00 0.00 H new ATOM 0 HG12 VAL A 102 6.214 -7.310 -4.059 1.00 0.00 H new ATOM 0 HG13 VAL A 102 4.851 -6.179 -3.895 1.00 0.00 H new ATOM 0 HG21 VAL A 102 5.531 -5.344 -0.999 1.00 0.00 H new ATOM 0 HG22 VAL A 102 3.885 -5.764 -1.529 1.00 0.00 H new ATOM 0 HG23 VAL A 102 4.625 -6.624 -0.157 1.00 0.00 H new ATOM 1612 N THR A 103 4.000 -8.960 0.017 1.00 0.00 N ATOM 1613 CA THR A 103 4.068 -9.784 1.212 1.00 0.00 C ATOM 1614 C THR A 103 2.926 -9.425 2.146 1.00 0.00 C ATOM 1615 O THR A 103 3.046 -9.532 3.367 1.00 0.00 O ATOM 1616 CB THR A 103 5.410 -9.591 1.919 1.00 0.00 C ATOM 1617 OG1 THR A 103 5.605 -8.231 2.260 1.00 0.00 O ATOM 1618 CG2 THR A 103 6.594 -10.030 1.085 1.00 0.00 C ATOM 0 H THR A 103 3.482 -8.089 0.137 1.00 0.00 H new ATOM 0 HA THR A 103 3.979 -10.832 0.924 1.00 0.00 H new ATOM 0 HB THR A 103 5.361 -10.218 2.809 1.00 0.00 H new ATOM 0 HG1 THR A 103 4.832 -7.706 1.965 1.00 0.00 H new ATOM 0 HG21 THR A 103 7.514 -9.866 1.645 1.00 0.00 H new ATOM 0 HG22 THR A 103 6.498 -11.089 0.846 1.00 0.00 H new ATOM 0 HG23 THR A 103 6.623 -9.451 0.162 1.00 0.00 H new ATOM 1626 N ARG A 104 1.818 -8.987 1.559 1.00 0.00 N ATOM 1627 CA ARG A 104 0.651 -8.597 2.332 1.00 0.00 C ATOM 1628 C ARG A 104 1.046 -7.577 3.393 1.00 0.00 C ATOM 1629 O ARG A 104 1.228 -7.925 4.560 1.00 0.00 O ATOM 1630 CB ARG A 104 0.016 -9.825 2.989 1.00 0.00 C ATOM 1631 CG ARG A 104 0.511 -11.147 2.425 1.00 0.00 C ATOM 1632 CD ARG A 104 0.215 -12.300 3.370 1.00 0.00 C ATOM 1633 NE ARG A 104 1.416 -12.767 4.055 1.00 0.00 N ATOM 1634 CZ ARG A 104 1.449 -13.101 5.341 1.00 0.00 C ATOM 1635 NH1 ARG A 104 0.350 -13.020 6.078 1.00 0.00 N ATOM 1636 NH2 ARG A 104 2.582 -13.515 5.892 1.00 0.00 N ATOM 0 H ARG A 104 1.706 -8.894 0.549 1.00 0.00 H new ATOM 0 HA ARG A 104 -0.080 -8.144 1.662 1.00 0.00 H new ATOM 0 HB2 ARG A 104 0.219 -9.799 4.060 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -1.066 -9.771 2.868 1.00 0.00 H new ATOM 0 HG2 ARG A 104 0.036 -11.333 1.462 1.00 0.00 H new ATOM 0 HG3 ARG A 104 1.585 -11.088 2.246 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -0.523 -11.984 4.107 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -0.226 -13.124 2.810 1.00 0.00 H new ATOM 0 HE ARG A 104 2.279 -12.841 3.516 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -0.523 -12.701 5.658 1.00 0.00 H new ATOM 0 HH12 ARG A 104 0.378 -13.277 7.065 1.00 0.00 H new ATOM 0 HH21 ARG A 104 3.430 -13.577 5.329 1.00 0.00 H new ATOM 0 HH22 ARG A 104 2.605 -13.771 6.879 1.00 0.00 H new ATOM 1650 N LEU A 105 1.193 -6.320 2.984 1.00 0.00 N ATOM 1651 CA LEU A 105 1.584 -5.270 3.915 1.00 0.00 C ATOM 1652 C LEU A 105 2.442 -5.831 5.035 1.00 0.00 C ATOM 1653 O LEU A 105 2.073 -5.776 6.208 1.00 0.00 O ATOM 1654 CB LEU A 105 0.357 -4.555 4.481 1.00 0.00 C ATOM 1655 CG LEU A 105 -0.214 -3.468 3.578 1.00 0.00 C ATOM 1656 CD1 LEU A 105 0.534 -3.414 2.271 1.00 0.00 C ATOM 1657 CD2 LEU A 105 -1.674 -3.678 3.322 1.00 0.00 C ATOM 0 H LEU A 105 1.049 -6.007 2.024 1.00 0.00 H new ATOM 0 HA LEU A 105 2.177 -4.540 3.365 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -0.421 -5.294 4.675 1.00 0.00 H new ATOM 0 HB3 LEU A 105 0.622 -4.111 5.440 1.00 0.00 H new ATOM 0 HG LEU A 105 -0.093 -2.517 4.097 1.00 0.00 H new ATOM 0 HD11 LEU A 105 0.110 -2.632 1.641 1.00 0.00 H new ATOM 0 HD12 LEU A 105 1.585 -3.197 2.462 1.00 0.00 H new ATOM 0 HD13 LEU A 105 0.448 -4.375 1.763 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -2.048 -2.885 2.675 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -1.823 -4.643 2.837 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -2.216 -3.660 4.268 1.00 0.00 H new ATOM 1669 N ARG A 106 3.598 -6.366 4.659 1.00 0.00 N ATOM 1670 CA ARG A 106 4.520 -6.934 5.627 1.00 0.00 C ATOM 1671 C ARG A 106 4.952 -5.878 6.637 1.00 0.00 C ATOM 1672 O ARG A 106 5.162 -6.183 7.811 1.00 0.00 O ATOM 1673 CB ARG A 106 5.746 -7.515 4.922 1.00 0.00 C ATOM 1674 CG ARG A 106 6.723 -8.197 5.866 1.00 0.00 C ATOM 1675 CD ARG A 106 7.385 -9.398 5.209 1.00 0.00 C ATOM 1676 NE ARG A 106 8.594 -9.812 5.917 1.00 0.00 N ATOM 1677 CZ ARG A 106 8.595 -10.262 7.168 1.00 0.00 C ATOM 1678 NH1 ARG A 106 7.457 -10.357 7.842 1.00 0.00 N ATOM 1679 NH2 ARG A 106 9.735 -10.619 7.744 1.00 0.00 N ATOM 0 H ARG A 106 3.916 -6.417 3.691 1.00 0.00 H new ATOM 0 HA ARG A 106 4.006 -7.736 6.157 1.00 0.00 H new ATOM 0 HB2 ARG A 106 5.417 -8.234 4.171 1.00 0.00 H new ATOM 0 HB3 ARG A 106 6.263 -6.715 4.392 1.00 0.00 H new ATOM 0 HG2 ARG A 106 7.487 -7.485 6.178 1.00 0.00 H new ATOM 0 HG3 ARG A 106 6.198 -8.517 6.766 1.00 0.00 H new ATOM 0 HD2 ARG A 106 6.680 -10.229 5.179 1.00 0.00 H new ATOM 0 HD3 ARG A 106 7.635 -9.154 4.176 1.00 0.00 H new ATOM 0 HE ARG A 106 9.485 -9.753 5.425 1.00 0.00 H new ATOM 0 HH11 ARG A 106 6.579 -10.085 7.401 1.00 0.00 H new ATOM 0 HH12 ARG A 106 7.460 -10.703 8.802 1.00 0.00 H new ATOM 0 HH21 ARG A 106 10.612 -10.548 7.227 1.00 0.00 H new ATOM 0 HH22 ARG A 106 9.735 -10.964 8.704 1.00 0.00 H new ATOM 1693 N TYR A 107 5.084 -4.634 6.179 1.00 0.00 N ATOM 1694 CA TYR A 107 5.491 -3.553 7.066 1.00 0.00 C ATOM 1695 C TYR A 107 5.291 -2.181 6.429 1.00 0.00 C ATOM 1696 O TYR A 107 6.132 -1.716 5.657 1.00 0.00 O ATOM 1697 CB TYR A 107 6.957 -3.718 7.467 1.00 0.00 C ATOM 1698 CG TYR A 107 7.418 -2.697 8.483 1.00 0.00 C ATOM 1699 CD1 TYR A 107 6.875 -2.672 9.761 1.00 0.00 C ATOM 1700 CD2 TYR A 107 8.391 -1.757 8.165 1.00 0.00 C ATOM 1701 CE1 TYR A 107 7.286 -1.738 10.693 1.00 0.00 C ATOM 1702 CE2 TYR A 107 8.809 -0.821 9.093 1.00 0.00 C ATOM 1703 CZ TYR A 107 8.253 -0.817 10.354 1.00 0.00 C ATOM 1704 OH TYR A 107 8.665 0.114 11.281 1.00 0.00 O ATOM 0 H TYR A 107 4.917 -4.355 5.212 1.00 0.00 H new ATOM 0 HA TYR A 107 4.856 -3.610 7.950 1.00 0.00 H new ATOM 0 HB2 TYR A 107 7.105 -4.718 7.875 1.00 0.00 H new ATOM 0 HB3 TYR A 107 7.581 -3.641 6.576 1.00 0.00 H new ATOM 0 HD1 TYR A 107 6.119 -3.394 10.031 1.00 0.00 H new ATOM 0 HD2 TYR A 107 8.828 -1.758 7.177 1.00 0.00 H new ATOM 0 HE1 TYR A 107 6.852 -1.730 11.682 1.00 0.00 H new ATOM 0 HE2 TYR A 107 9.567 -0.097 8.831 1.00 0.00 H new ATOM 0 HH TYR A 107 8.057 0.882 11.266 1.00 0.00 H new ATOM 1714 N PRO A 108 4.181 -1.503 6.756 1.00 0.00 N ATOM 1715 CA PRO A 108 3.893 -0.171 6.230 1.00 0.00 C ATOM 1716 C PRO A 108 5.063 0.791 6.461 1.00 0.00 C ATOM 1717 O PRO A 108 5.772 0.683 7.461 1.00 0.00 O ATOM 1718 CB PRO A 108 2.654 0.275 7.022 1.00 0.00 C ATOM 1719 CG PRO A 108 2.552 -0.675 8.166 1.00 0.00 C ATOM 1720 CD PRO A 108 3.123 -1.964 7.664 1.00 0.00 C ATOM 0 HA PRO A 108 3.731 -0.178 5.152 1.00 0.00 H new ATOM 0 HB2 PRO A 108 2.760 1.302 7.372 1.00 0.00 H new ATOM 0 HB3 PRO A 108 1.758 0.241 6.402 1.00 0.00 H new ATOM 0 HG2 PRO A 108 3.106 -0.310 9.031 1.00 0.00 H new ATOM 0 HG3 PRO A 108 1.516 -0.800 8.481 1.00 0.00 H new ATOM 0 HD2 PRO A 108 3.520 -2.576 8.474 1.00 0.00 H new ATOM 0 HD3 PRO A 108 2.376 -2.566 7.146 1.00 0.00 H new ATOM 1728 N VAL A 109 5.269 1.719 5.530 1.00 0.00 N ATOM 1729 CA VAL A 109 6.357 2.683 5.634 1.00 0.00 C ATOM 1730 C VAL A 109 5.835 4.114 5.578 1.00 0.00 C ATOM 1731 O VAL A 109 4.812 4.387 4.950 1.00 0.00 O ATOM 1732 CB VAL A 109 7.392 2.488 4.510 1.00 0.00 C ATOM 1733 CG1 VAL A 109 8.796 2.403 5.087 1.00 0.00 C ATOM 1734 CG2 VAL A 109 7.069 1.248 3.688 1.00 0.00 C ATOM 0 H VAL A 109 4.694 1.822 4.694 1.00 0.00 H new ATOM 0 HA VAL A 109 6.837 2.510 6.597 1.00 0.00 H new ATOM 0 HB VAL A 109 7.346 3.353 3.848 1.00 0.00 H new ATOM 0 HG11 VAL A 109 9.514 2.265 4.278 1.00 0.00 H new ATOM 0 HG12 VAL A 109 9.025 3.324 5.623 1.00 0.00 H new ATOM 0 HG13 VAL A 109 8.857 1.559 5.774 1.00 0.00 H new ATOM 0 HG21 VAL A 109 7.813 1.130 2.900 1.00 0.00 H new ATOM 0 HG22 VAL A 109 7.082 0.370 4.334 1.00 0.00 H new ATOM 0 HG23 VAL A 109 6.081 1.355 3.241 1.00 0.00 H new ATOM 1744 N CYS A 110 6.542 5.024 6.239 1.00 0.00 N ATOM 1745 CA CYS A 110 6.147 6.425 6.265 1.00 0.00 C ATOM 1746 C CYS A 110 7.335 7.331 5.955 1.00 0.00 C ATOM 1747 O CYS A 110 8.072 7.735 6.855 1.00 0.00 O ATOM 1748 CB CYS A 110 5.556 6.786 7.629 1.00 0.00 C ATOM 1749 SG CYS A 110 5.865 8.493 8.139 1.00 0.00 S ATOM 0 H CYS A 110 7.391 4.815 6.764 1.00 0.00 H new ATOM 0 HA CYS A 110 5.388 6.577 5.498 1.00 0.00 H new ATOM 0 HB2 CYS A 110 4.480 6.615 7.603 1.00 0.00 H new ATOM 0 HB3 CYS A 110 5.968 6.113 8.381 1.00 0.00 H new ATOM 0 HG CYS A 110 7.065 8.842 7.782 1.00 0.00 H new ATOM 1755 N GLY A 111 7.512 7.647 4.678 1.00 0.00 N ATOM 1756 CA GLY A 111 8.611 8.502 4.271 1.00 0.00 C ATOM 1757 C GLY A 111 8.596 9.842 4.979 1.00 0.00 C ATOM 1758 O GLY A 111 9.491 10.144 5.769 1.00 0.00 O ATOM 0 H GLY A 111 6.914 7.326 3.917 1.00 0.00 H new ATOM 0 HA2 GLY A 111 9.555 7.997 4.476 1.00 0.00 H new ATOM 0 HA3 GLY A 111 8.562 8.663 3.194 1.00 0.00 H new HETATM 1762 N NH2 A 112 7.583 10.656 4.703 1.00 0.00 N TER 1765 NH2 A 112