USER MOD reduce.3.24.130724 H: found=0, std=0, add=1045, rem=0, adj=44 USER MOD reduce.3.24.130724 removed 1045 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 108 LYS NZ :NH3+ 136:sc= -0.604 (180deg=-0.21) USER MOD Set 1.2: A 112 ASN : amide:sc= -1.41 K(o=-2,f=-1.2!) USER MOD Set 2.1: A 53 LYS NZ :NH3+ -163:sc= -2.18! (180deg=-5.47!) USER MOD Set 2.2: A 107 GLN : amide:sc= -3.62! C(o=-5.8!,f=-19!) USER MOD Set 3.1: A 94 ASN : amide:sc= 1.14 K(o=2.6,f=-1.4!) USER MOD Set 3.2: A 102 CYS SG : rot -107:sc= 1.48 USER MOD Set 4.1: A 99 THR OG1 : rot 180:sc= 0 USER MOD Set 4.2: A 101 THR OG1 : rot 180:sc= 0 USER MOD Set 5.1: A 86 CYS SG : rot 180:sc= -0.573 USER MOD Set 5.2: A 87 THR OG1 : rot -120:sc= -0.598 USER MOD Set 6.1: A 48 SER OG : rot -42:sc= 1.13 USER MOD Set 6.2: A 49 CYS SG : rot 161:sc= -4.43! USER MOD Set 7.1: A 42 ASN : amide:sc= -3.68! K(o=-11!,f=-6.8) USER MOD Set 7.2: A 82 ASN : amide:sc= -6.92! C(o=-11!,f=-6.8!) USER MOD Set 8.1: A 16 SER OG : rot 135:sc= 0.693 USER MOD Set 8.2: A 19 ASN : amide:sc= -1.01 K(o=-0.31,f=-5.6!) USER MOD Single : A 6 SER OG : rot -38:sc= -0.0395 USER MOD Single : A 7 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 11 LYS NZ :NH3+ -135:sc= -1.71 (180deg=-3.3!) USER MOD Single : A 12 LYS NZ :NH3+ -121:sc= 0.207 (180deg=-0.241) USER MOD Single : A 22 ASN : amide:sc= -3.41! K(o=-3.4!,f=-2.4) USER MOD Single : A 23 HIS : no HE2:sc= -3.05 K(o=-3.1,f=-4.9!) USER MOD Single : A 25 CYS SG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 173:sc= -1.47 (180deg=-1.53) USER MOD Single : A 35 LYS NZ :NH3+ -115:sc= -0.144 (180deg=-1.06) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 0:sc= 1.08 USER MOD Single : A 54 LYS NZ :NH3+ -149:sc= -0.207 (180deg=-1.02) USER MOD Single : A 56 LYS NZ :NH3+ 160:sc= -0.131 (180deg=-0.774) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ -110:sc= -1.83 (180deg=-4.37!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 TYR OH : rot 150:sc= -0.118 USER MOD Single : A 70 ASN : amide:sc= -2.02! C(o=-2!,f=-3.8!) USER MOD Single : A 74 SER OG : rot 148:sc= -0.0992 USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 167:sc= -0.759! (180deg=-0.94!) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot 68:sc= 0.167 USER MOD Single : A 92 SER OG : rot -61:sc= 0.691 USER MOD Single : A 95 MET CE :methyl -151:sc= -1.57 (180deg=-3.07) USER MOD Single : A 109 LYS NZ :NH3+ 163:sc= 0.764 (180deg=0.232!) USER MOD Single : A 114 MET CE :methyl -152:sc= -0.782 (180deg=-2.77) USER MOD Single : A 116 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.11) USER MOD Single : A 118 SER OG : rot -42:sc= -0.813 USER MOD Single : A 119 TYR OH : rot -143:sc= -3.71! USER MOD Single : A 124 LYS NZ :NH3+ -130:sc= 0 (180deg=-0.105) USER MOD Single : A 125 SER OG : rot -74:sc= -0.876 USER MOD Single : A 128 TYR OH : rot 180:sc= 0 USER MOD Single : A 132 THR OG1 : rot -171:sc= -0.518 USER MOD ----------------------------------------------------------------- ATOM 17 N SER A 6 -12.163 1.381 -12.213 1.00 15.43 N ATOM 18 CA SER A 6 -13.618 1.557 -11.956 1.00 14.66 C ATOM 19 C SER A 6 -13.819 2.284 -10.624 1.00 13.40 C ATOM 20 O SER A 6 -12.964 2.268 -9.761 1.00 12.58 O ATOM 21 CB SER A 6 -14.286 0.182 -11.894 1.00 15.49 C ATOM 22 OG SER A 6 -13.844 -0.503 -10.728 1.00 15.97 O ATOM 0 HA SER A 6 -14.063 2.146 -12.758 1.00 14.66 H new ATOM 0 HB2 SER A 6 -15.370 0.292 -11.876 1.00 15.49 H new ATOM 0 HB3 SER A 6 -14.039 -0.396 -12.785 1.00 15.49 H new ATOM 0 HG SER A 6 -12.893 -0.317 -10.580 1.00 15.97 H new ATOM 28 N GLN A 7 -14.945 2.919 -10.445 1.00 13.37 N ATOM 29 CA GLN A 7 -15.196 3.639 -9.168 1.00 12.23 C ATOM 30 C GLN A 7 -15.394 2.626 -8.038 1.00 11.36 C ATOM 31 O GLN A 7 -15.239 2.937 -6.874 1.00 10.97 O ATOM 32 CB GLN A 7 -16.437 4.521 -9.295 1.00 13.19 C ATOM 33 CG GLN A 7 -16.107 5.740 -10.162 1.00 13.36 C ATOM 34 CD GLN A 7 -17.345 6.626 -10.294 1.00 13.61 C ATOM 35 OE1 GLN A 7 -18.459 6.148 -10.251 1.00 13.82 O ATOM 36 NE2 GLN A 7 -17.194 7.912 -10.457 1.00 13.77 N ATOM 0 H GLN A 7 -15.701 2.969 -11.128 1.00 13.37 H new ATOM 0 HA GLN A 7 -14.337 4.271 -8.942 1.00 12.23 H new ATOM 0 HB2 GLN A 7 -17.255 3.955 -9.740 1.00 13.19 H new ATOM 0 HB3 GLN A 7 -16.771 4.842 -8.308 1.00 13.19 H new ATOM 0 HG2 GLN A 7 -15.289 6.305 -9.716 1.00 13.36 H new ATOM 0 HG3 GLN A 7 -15.771 5.418 -11.148 1.00 13.36 H new ATOM 0 HE21 GLN A 7 -16.258 8.315 -10.493 1.00 13.77 H new ATOM 0 HE22 GLN A 7 -18.012 8.514 -10.548 1.00 13.77 H new ATOM 45 N GLU A 8 -15.751 1.420 -8.370 1.00 13.01 N ATOM 46 CA GLU A 8 -15.962 0.394 -7.314 1.00 12.24 C ATOM 47 C GLU A 8 -14.616 0.007 -6.683 1.00 11.73 C ATOM 48 O GLU A 8 -14.527 -0.223 -5.496 1.00 11.71 O ATOM 49 CB GLU A 8 -16.616 -0.856 -7.926 1.00 13.27 C ATOM 50 CG GLU A 8 -18.064 -0.554 -8.348 1.00 13.55 C ATOM 51 CD GLU A 8 -18.903 -0.161 -7.129 1.00 14.55 C ATOM 52 OE1 GLU A 8 -18.767 -0.810 -6.105 1.00 15.06 O ATOM 53 OE2 GLU A 8 -19.670 0.782 -7.242 1.00 14.92 O ATOM 0 H GLU A 8 -15.906 1.100 -9.326 1.00 13.01 H new ATOM 0 HA GLU A 8 -16.615 0.807 -6.546 1.00 12.24 H new ATOM 0 HB2 GLU A 8 -16.041 -1.189 -8.790 1.00 13.27 H new ATOM 0 HB3 GLU A 8 -16.604 -1.671 -7.202 1.00 13.27 H new ATOM 0 HG2 GLU A 8 -18.075 0.253 -9.081 1.00 13.55 H new ATOM 0 HG3 GLU A 8 -18.499 -1.429 -8.830 1.00 13.55 H new ATOM 60 N GLU A 9 -13.577 -0.096 -7.472 1.00 11.46 N ATOM 61 CA GLU A 9 -12.250 -0.506 -6.911 1.00 11.12 C ATOM 62 C GLU A 9 -11.637 0.612 -6.057 1.00 10.28 C ATOM 63 O GLU A 9 -11.147 0.373 -4.972 1.00 10.32 O ATOM 64 CB GLU A 9 -11.297 -0.830 -8.062 1.00 12.40 C ATOM 65 CG GLU A 9 -11.743 -2.116 -8.769 1.00 13.24 C ATOM 66 CD GLU A 9 -11.576 -3.310 -7.825 1.00 14.08 C ATOM 67 OE1 GLU A 9 -10.690 -3.262 -6.988 1.00 14.26 O ATOM 68 OE2 GLU A 9 -12.340 -4.252 -7.954 1.00 14.68 O ATOM 0 H GLU A 9 -13.588 0.085 -8.476 1.00 11.46 H new ATOM 0 HA GLU A 9 -12.401 -1.381 -6.279 1.00 11.12 H new ATOM 0 HB2 GLU A 9 -11.278 -0.003 -8.772 1.00 12.40 H new ATOM 0 HB3 GLU A 9 -10.282 -0.948 -7.682 1.00 12.40 H new ATOM 0 HG2 GLU A 9 -12.784 -2.029 -9.080 1.00 13.24 H new ATOM 0 HG3 GLU A 9 -11.152 -2.269 -9.672 1.00 13.24 H new ATOM 75 N VAL A 10 -11.654 1.827 -6.529 1.00 9.75 N ATOM 76 CA VAL A 10 -11.066 2.942 -5.727 1.00 9.10 C ATOM 77 C VAL A 10 -11.845 3.097 -4.415 1.00 7.91 C ATOM 78 O VAL A 10 -11.279 3.391 -3.383 1.00 7.70 O ATOM 79 CB VAL A 10 -11.136 4.248 -6.522 1.00 10.81 C ATOM 80 CG1 VAL A 10 -10.301 4.121 -7.799 1.00 11.69 C ATOM 81 CG2 VAL A 10 -12.592 4.539 -6.890 1.00 11.17 C ATOM 0 H VAL A 10 -12.047 2.098 -7.430 1.00 9.75 H new ATOM 0 HA VAL A 10 -10.023 2.713 -5.506 1.00 9.10 H new ATOM 0 HB VAL A 10 -10.742 5.063 -5.915 1.00 10.81 H new ATOM 0 HG11 VAL A 10 -10.353 5.053 -8.362 1.00 11.69 H new ATOM 0 HG12 VAL A 10 -9.264 3.914 -7.536 1.00 11.69 H new ATOM 0 HG13 VAL A 10 -10.691 3.306 -8.409 1.00 11.69 H new ATOM 0 HG21 VAL A 10 -12.645 5.469 -7.456 1.00 11.17 H new ATOM 0 HG22 VAL A 10 -12.984 3.722 -7.496 1.00 11.17 H new ATOM 0 HG23 VAL A 10 -13.185 4.634 -5.980 1.00 11.17 H new ATOM 91 N LYS A 11 -13.135 2.896 -4.440 1.00 7.38 N ATOM 92 CA LYS A 11 -13.932 3.028 -3.184 1.00 6.32 C ATOM 93 C LYS A 11 -13.403 2.026 -2.162 1.00 5.68 C ATOM 94 O LYS A 11 -13.310 2.311 -0.984 1.00 5.93 O ATOM 95 CB LYS A 11 -15.414 2.731 -3.468 1.00 8.26 C ATOM 96 CG LYS A 11 -16.085 3.925 -4.206 1.00 8.64 C ATOM 97 CD LYS A 11 -16.998 4.729 -3.256 1.00 9.23 C ATOM 98 CE LYS A 11 -16.160 5.556 -2.268 1.00 9.91 C ATOM 99 NZ LYS A 11 -15.723 4.694 -1.131 1.00 10.51 N ATOM 0 H LYS A 11 -13.671 2.647 -5.272 1.00 7.38 H new ATOM 0 HA LYS A 11 -13.842 4.044 -2.799 1.00 6.32 H new ATOM 0 HB2 LYS A 11 -15.499 1.829 -4.074 1.00 8.26 H new ATOM 0 HB3 LYS A 11 -15.937 2.536 -2.531 1.00 8.26 H new ATOM 0 HG2 LYS A 11 -15.316 4.580 -4.616 1.00 8.64 H new ATOM 0 HG3 LYS A 11 -16.669 3.553 -5.048 1.00 8.64 H new ATOM 0 HD2 LYS A 11 -17.643 5.390 -3.836 1.00 9.23 H new ATOM 0 HD3 LYS A 11 -17.650 4.049 -2.707 1.00 9.23 H new ATOM 0 HE2 LYS A 11 -15.290 5.973 -2.775 1.00 9.91 H new ATOM 0 HE3 LYS A 11 -16.745 6.397 -1.895 1.00 9.91 H new ATOM 0 HZ1 LYS A 11 -15.868 5.201 -0.235 1.00 10.51 H new ATOM 0 HZ2 LYS A 11 -16.281 3.816 -1.126 1.00 10.51 H new ATOM 0 HZ3 LYS A 11 -14.715 4.463 -1.238 1.00 10.51 H new ATOM 113 N LYS A 12 -13.058 0.855 -2.606 1.00 5.08 N ATOM 114 CA LYS A 12 -12.535 -0.166 -1.664 1.00 4.72 C ATOM 115 C LYS A 12 -11.278 0.384 -1.006 1.00 4.34 C ATOM 116 O LYS A 12 -11.011 0.133 0.151 1.00 4.65 O ATOM 117 CB LYS A 12 -12.189 -1.445 -2.422 1.00 6.91 C ATOM 118 CG LYS A 12 -13.477 -2.104 -2.908 1.00 7.86 C ATOM 119 CD LYS A 12 -13.142 -3.385 -3.668 1.00 8.86 C ATOM 120 CE LYS A 12 -14.434 -4.026 -4.175 1.00 9.89 C ATOM 121 NZ LYS A 12 -15.021 -3.171 -5.246 1.00 10.82 N ATOM 0 H LYS A 12 -13.115 0.560 -3.581 1.00 5.08 H new ATOM 0 HA LYS A 12 -13.290 -0.394 -0.911 1.00 4.72 H new ATOM 0 HB2 LYS A 12 -11.541 -1.216 -3.268 1.00 6.91 H new ATOM 0 HB3 LYS A 12 -11.639 -2.128 -1.775 1.00 6.91 H new ATOM 0 HG2 LYS A 12 -14.124 -2.331 -2.060 1.00 7.86 H new ATOM 0 HG3 LYS A 12 -14.026 -1.419 -3.554 1.00 7.86 H new ATOM 0 HD2 LYS A 12 -12.481 -3.162 -4.505 1.00 8.86 H new ATOM 0 HD3 LYS A 12 -12.610 -4.079 -3.017 1.00 8.86 H new ATOM 0 HE2 LYS A 12 -14.231 -5.025 -4.562 1.00 9.89 H new ATOM 0 HE3 LYS A 12 -15.143 -4.140 -3.355 1.00 9.89 H new ATOM 0 HZ1 LYS A 12 -15.978 -2.873 -4.967 1.00 10.82 H new ATOM 0 HZ2 LYS A 12 -14.424 -2.331 -5.386 1.00 10.82 H new ATOM 0 HZ3 LYS A 12 -15.071 -3.711 -6.133 1.00 10.82 H new ATOM 135 N TRP A 13 -10.504 1.147 -1.732 1.00 4.15 N ATOM 136 CA TRP A 13 -9.272 1.720 -1.130 1.00 3.58 C ATOM 137 C TRP A 13 -9.686 2.570 0.065 1.00 2.38 C ATOM 138 O TRP A 13 -8.970 2.704 1.021 1.00 2.83 O ATOM 139 CB TRP A 13 -8.537 2.603 -2.140 1.00 4.70 C ATOM 140 CG TRP A 13 -8.186 1.824 -3.374 1.00 4.98 C ATOM 141 CD1 TRP A 13 -8.389 0.497 -3.561 1.00 5.43 C ATOM 142 CD2 TRP A 13 -7.571 2.319 -4.599 1.00 5.21 C ATOM 143 NE1 TRP A 13 -7.934 0.150 -4.824 1.00 5.86 N ATOM 144 CE2 TRP A 13 -7.422 1.241 -5.500 1.00 5.70 C ATOM 145 CE3 TRP A 13 -7.131 3.591 -5.007 1.00 5.35 C ATOM 146 CZ2 TRP A 13 -6.857 1.420 -6.765 1.00 6.20 C ATOM 147 CZ3 TRP A 13 -6.562 3.774 -6.277 1.00 5.91 C ATOM 148 CH2 TRP A 13 -6.425 2.690 -7.155 1.00 6.26 C ATOM 0 H TRP A 13 -10.672 1.395 -2.707 1.00 4.15 H new ATOM 0 HA TRP A 13 -8.604 0.913 -0.827 1.00 3.58 H new ATOM 0 HB2 TRP A 13 -9.162 3.455 -2.408 1.00 4.70 H new ATOM 0 HB3 TRP A 13 -7.630 3.003 -1.687 1.00 4.70 H new ATOM 0 HD1 TRP A 13 -8.832 -0.179 -2.844 1.00 5.43 H new ATOM 0 HE1 TRP A 13 -7.973 -0.795 -5.207 1.00 5.86 H new ATOM 0 HE3 TRP A 13 -7.232 4.433 -4.338 1.00 5.35 H new ATOM 0 HZ2 TRP A 13 -6.755 0.581 -7.438 1.00 6.20 H new ATOM 0 HZ3 TRP A 13 -6.228 4.755 -6.579 1.00 5.91 H new ATOM 0 HH2 TRP A 13 -5.986 2.836 -8.131 1.00 6.26 H new ATOM 159 N ALA A 14 -10.849 3.142 0.025 1.00 0.01 N ATOM 160 CA ALA A 14 -11.300 3.967 1.175 1.00 0.01 C ATOM 161 C ALA A 14 -11.861 3.038 2.253 1.00 0.01 C ATOM 162 O ALA A 14 -12.165 3.454 3.352 1.00 0.01 O ATOM 163 CB ALA A 14 -12.393 4.928 0.704 1.00 0.00 C ATOM 0 H ALA A 14 -11.508 3.076 -0.751 1.00 0.01 H new ATOM 0 HA ALA A 14 -10.466 4.540 1.580 1.00 0.01 H new ATOM 0 HB1 ALA A 14 -12.729 5.537 1.544 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -11.996 5.575 -0.078 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -13.234 4.357 0.310 1.00 0.00 H new ATOM 169 N GLU A 15 -12.015 1.774 1.935 1.00 0.01 N ATOM 170 CA GLU A 15 -12.577 0.807 2.927 1.00 0.01 C ATOM 171 C GLU A 15 -11.467 0.064 3.686 1.00 0.01 C ATOM 172 O GLU A 15 -11.689 -0.411 4.780 1.00 0.01 O ATOM 173 CB GLU A 15 -13.448 -0.213 2.191 1.00 0.01 C ATOM 174 CG GLU A 15 -14.657 0.498 1.579 1.00 0.01 C ATOM 175 CD GLU A 15 -15.589 0.974 2.695 1.00 0.01 C ATOM 176 OE1 GLU A 15 -15.558 0.378 3.761 1.00 0.01 O ATOM 177 OE2 GLU A 15 -16.315 1.927 2.469 1.00 0.01 O ATOM 0 H GLU A 15 -11.775 1.371 1.029 1.00 0.01 H new ATOM 0 HA GLU A 15 -13.167 1.368 3.652 1.00 0.01 H new ATOM 0 HB2 GLU A 15 -12.869 -0.706 1.410 1.00 0.01 H new ATOM 0 HB3 GLU A 15 -13.779 -0.989 2.881 1.00 0.01 H new ATOM 0 HG2 GLU A 15 -14.328 1.346 0.979 1.00 0.01 H new ATOM 0 HG3 GLU A 15 -15.189 -0.178 0.910 1.00 0.01 H new ATOM 184 N SER A 16 -10.284 -0.062 3.133 1.00 0.01 N ATOM 185 CA SER A 16 -9.215 -0.804 3.877 1.00 0.01 C ATOM 186 C SER A 16 -7.856 -0.678 3.175 1.00 0.00 C ATOM 187 O SER A 16 -7.755 -0.749 1.967 1.00 0.00 O ATOM 188 CB SER A 16 -9.599 -2.283 3.956 1.00 0.01 C ATOM 189 OG SER A 16 -9.869 -2.770 2.647 1.00 0.01 O ATOM 0 H SER A 16 -10.015 0.307 2.221 1.00 0.01 H new ATOM 0 HA SER A 16 -9.128 -0.373 4.875 1.00 0.01 H new ATOM 0 HB2 SER A 16 -8.791 -2.856 4.410 1.00 0.01 H new ATOM 0 HB3 SER A 16 -10.476 -2.409 4.591 1.00 0.01 H new ATOM 0 HG SER A 16 -9.431 -3.638 2.524 1.00 0.01 H new ATOM 195 N LEU A 17 -6.811 -0.505 3.947 1.00 0.00 N ATOM 196 CA LEU A 17 -5.433 -0.380 3.377 1.00 0.00 C ATOM 197 C LEU A 17 -5.063 -1.637 2.590 1.00 0.01 C ATOM 198 O LEU A 17 -4.495 -1.562 1.521 1.00 0.00 O ATOM 199 CB LEU A 17 -4.443 -0.169 4.528 1.00 0.01 C ATOM 200 CG LEU A 17 -2.993 -0.145 4.013 1.00 0.00 C ATOM 201 CD1 LEU A 17 -2.833 0.922 2.922 1.00 0.01 C ATOM 202 CD2 LEU A 17 -2.051 0.180 5.183 1.00 0.00 C ATOM 0 H LEU A 17 -6.856 -0.444 4.964 1.00 0.00 H new ATOM 0 HA LEU A 17 -5.397 0.469 2.695 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -4.667 0.768 5.037 1.00 0.01 H new ATOM 0 HB3 LEU A 17 -4.558 -0.966 5.262 1.00 0.01 H new ATOM 0 HG LEU A 17 -2.747 -1.120 3.592 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.802 0.928 2.567 1.00 0.01 H new ATOM 0 HD12 LEU A 17 -3.502 0.696 2.091 1.00 0.01 H new ATOM 0 HD13 LEU A 17 -3.081 1.901 3.332 1.00 0.01 H new ATOM 0 HD21 LEU A 17 -1.021 0.199 4.826 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -2.309 1.154 5.598 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -2.154 -0.582 5.955 1.00 0.00 H new ATOM 214 N GLU A 18 -5.365 -2.792 3.111 1.00 0.01 N ATOM 215 CA GLU A 18 -5.009 -4.044 2.392 1.00 0.00 C ATOM 216 C GLU A 18 -5.584 -4.013 0.973 1.00 0.00 C ATOM 217 O GLU A 18 -4.949 -4.440 0.032 1.00 0.01 O ATOM 218 CB GLU A 18 -5.602 -5.243 3.136 1.00 0.01 C ATOM 219 CG GLU A 18 -4.922 -5.393 4.498 1.00 0.01 C ATOM 220 CD GLU A 18 -5.435 -4.312 5.452 1.00 0.00 C ATOM 221 OE1 GLU A 18 -6.397 -3.647 5.104 1.00 0.01 O ATOM 222 OE2 GLU A 18 -4.861 -4.172 6.518 1.00 0.01 O ATOM 0 H GLU A 18 -5.843 -2.923 4.003 1.00 0.01 H new ATOM 0 HA GLU A 18 -3.923 -4.129 2.345 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -6.675 -5.107 3.268 1.00 0.01 H new ATOM 0 HB3 GLU A 18 -5.466 -6.151 2.549 1.00 0.01 H new ATOM 0 HG2 GLU A 18 -5.125 -6.381 4.910 1.00 0.01 H new ATOM 0 HG3 GLU A 18 -3.841 -5.310 4.387 1.00 0.01 H new ATOM 229 N ASN A 19 -6.780 -3.521 0.810 1.00 0.01 N ATOM 230 CA ASN A 19 -7.381 -3.480 -0.556 1.00 0.00 C ATOM 231 C ASN A 19 -6.522 -2.602 -1.475 1.00 0.00 C ATOM 232 O ASN A 19 -6.234 -2.965 -2.598 1.00 0.01 O ATOM 233 CB ASN A 19 -8.806 -2.917 -0.470 1.00 0.01 C ATOM 234 CG ASN A 19 -9.759 -4.011 0.021 1.00 0.01 C ATOM 235 OD1 ASN A 19 -9.523 -4.628 1.040 1.00 0.01 O ATOM 236 ND2 ASN A 19 -10.835 -4.279 -0.667 1.00 0.01 N ATOM 0 H ASN A 19 -7.366 -3.147 1.557 1.00 0.01 H new ATOM 0 HA ASN A 19 -7.419 -4.489 -0.967 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -8.832 -2.066 0.210 1.00 0.01 H new ATOM 0 HB3 ASN A 19 -9.125 -2.554 -1.447 1.00 0.01 H new ATOM 0 HD21 ASN A 19 -11.476 -5.006 -0.349 1.00 0.01 H new ATOM 0 HD22 ASN A 19 -11.035 -3.762 -1.523 1.00 0.01 H new ATOM 243 N LEU A 20 -6.089 -1.464 -1.006 1.00 0.00 N ATOM 244 CA LEU A 20 -5.231 -0.588 -1.857 1.00 0.01 C ATOM 245 C LEU A 20 -3.964 -1.364 -2.223 1.00 0.01 C ATOM 246 O LEU A 20 -3.553 -1.417 -3.365 1.00 0.00 O ATOM 247 CB LEU A 20 -4.857 0.677 -1.068 1.00 0.00 C ATOM 248 CG LEU A 20 -3.941 1.604 -1.893 1.00 0.01 C ATOM 249 CD1 LEU A 20 -4.689 2.140 -3.116 1.00 0.01 C ATOM 250 CD2 LEU A 20 -3.511 2.781 -1.009 1.00 0.01 C ATOM 0 H LEU A 20 -6.291 -1.103 -0.074 1.00 0.00 H new ATOM 0 HA LEU A 20 -5.764 -0.297 -2.763 1.00 0.01 H new ATOM 0 HB2 LEU A 20 -5.763 1.214 -0.788 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.354 0.395 -0.143 1.00 0.00 H new ATOM 0 HG LEU A 20 -3.070 1.043 -2.232 1.00 0.01 H new ATOM 0 HD11 LEU A 20 -4.030 2.793 -3.688 1.00 0.01 H new ATOM 0 HD12 LEU A 20 -5.007 1.306 -3.742 1.00 0.01 H new ATOM 0 HD13 LEU A 20 -5.563 2.703 -2.790 1.00 0.01 H new ATOM 0 HD21 LEU A 20 -2.862 3.446 -1.579 1.00 0.01 H new ATOM 0 HD22 LEU A 20 -4.393 3.330 -0.679 1.00 0.01 H new ATOM 0 HD23 LEU A 20 -2.972 2.405 -0.140 1.00 0.01 H new ATOM 262 N ILE A 21 -3.349 -1.955 -1.240 1.00 0.01 N ATOM 263 CA ILE A 21 -2.098 -2.732 -1.467 1.00 0.00 C ATOM 264 C ILE A 21 -2.392 -4.066 -2.175 1.00 0.00 C ATOM 265 O ILE A 21 -1.578 -4.569 -2.923 1.00 0.00 O ATOM 266 CB ILE A 21 -1.453 -3.013 -0.107 1.00 0.00 C ATOM 267 CG1 ILE A 21 -1.051 -1.686 0.543 1.00 0.00 C ATOM 268 CG2 ILE A 21 -0.215 -3.892 -0.289 1.00 0.00 C ATOM 269 CD1 ILE A 21 -0.635 -1.923 1.997 1.00 0.01 C ATOM 0 H ILE A 21 -3.665 -1.933 -0.270 1.00 0.01 H new ATOM 0 HA ILE A 21 -1.430 -2.152 -2.103 1.00 0.00 H new ATOM 0 HB ILE A 21 -2.166 -3.534 0.532 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -0.228 -1.234 -0.011 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -1.884 -0.985 0.504 1.00 0.00 H new ATOM 0 HG21 ILE A 21 0.238 -4.088 0.683 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -0.504 -4.836 -0.751 1.00 0.00 H new ATOM 0 HG23 ILE A 21 0.504 -3.380 -0.928 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -0.350 -0.975 2.453 1.00 0.01 H new ATOM 0 HD12 ILE A 21 -1.470 -2.355 2.549 1.00 0.01 H new ATOM 0 HD13 ILE A 21 0.212 -2.608 2.026 1.00 0.01 H new ATOM 281 N ASN A 22 -3.522 -4.669 -1.912 1.00 0.00 N ATOM 282 CA ASN A 22 -3.827 -5.998 -2.536 1.00 0.01 C ATOM 283 C ASN A 22 -4.541 -5.838 -3.884 1.00 0.01 C ATOM 284 O ASN A 22 -4.858 -6.814 -4.537 1.00 0.01 O ATOM 285 CB ASN A 22 -4.720 -6.798 -1.587 1.00 0.01 C ATOM 286 CG ASN A 22 -3.990 -7.002 -0.259 1.00 0.01 C ATOM 287 OD1 ASN A 22 -4.594 -7.375 0.729 1.00 0.01 O ATOM 288 ND2 ASN A 22 -2.708 -6.763 -0.188 1.00 0.01 N ATOM 0 H ASN A 22 -4.247 -4.303 -1.295 1.00 0.00 H new ATOM 0 HA ASN A 22 -2.885 -6.518 -2.712 1.00 0.01 H new ATOM 0 HB2 ASN A 22 -5.659 -6.270 -1.422 1.00 0.01 H new ATOM 0 HB3 ASN A 22 -4.970 -7.762 -2.030 1.00 0.01 H new ATOM 0 HD21 ASN A 22 -2.214 -6.889 0.695 1.00 0.01 H new ATOM 0 HD22 ASN A 22 -2.201 -6.450 -1.016 1.00 0.01 H new ATOM 295 N HIS A 23 -4.794 -4.633 -4.321 1.00 0.01 N ATOM 296 CA HIS A 23 -5.481 -4.444 -5.637 1.00 0.01 C ATOM 297 C HIS A 23 -4.418 -4.278 -6.730 1.00 0.01 C ATOM 298 O HIS A 23 -3.435 -3.593 -6.553 1.00 0.01 O ATOM 299 CB HIS A 23 -6.373 -3.201 -5.581 1.00 0.00 C ATOM 300 CG HIS A 23 -7.065 -3.021 -6.903 1.00 0.01 C ATOM 301 ND1 HIS A 23 -7.504 -1.783 -7.340 1.00 0.01 N ATOM 302 CD2 HIS A 23 -7.394 -3.908 -7.897 1.00 0.01 C ATOM 303 CE1 HIS A 23 -8.064 -1.956 -8.550 1.00 0.01 C ATOM 304 NE2 HIS A 23 -8.025 -3.233 -8.937 1.00 0.01 N ATOM 0 H HIS A 23 -4.557 -3.773 -3.827 1.00 0.01 H new ATOM 0 HA HIS A 23 -6.103 -5.311 -5.859 1.00 0.01 H new ATOM 0 HB2 HIS A 23 -7.109 -3.304 -4.784 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -5.774 -2.320 -5.349 1.00 0.00 H new ATOM 0 HD1 HIS A 23 -7.418 -0.900 -6.836 1.00 0.01 H new ATOM 0 HD2 HIS A 23 -7.194 -4.969 -7.875 1.00 0.01 H new ATOM 0 HE1 HIS A 23 -8.493 -1.158 -9.138 1.00 0.01 H new ATOM 312 N GLU A 24 -4.602 -4.920 -7.852 1.00 0.01 N ATOM 313 CA GLU A 24 -3.592 -4.826 -8.949 1.00 0.01 C ATOM 314 C GLU A 24 -3.413 -3.371 -9.376 1.00 0.01 C ATOM 315 O GLU A 24 -2.309 -2.919 -9.628 1.00 0.01 O ATOM 316 CB GLU A 24 -4.080 -5.657 -10.143 1.00 0.01 C ATOM 317 CG GLU A 24 -3.067 -5.590 -11.296 1.00 0.01 C ATOM 318 CD GLU A 24 -1.736 -6.202 -10.854 1.00 0.01 C ATOM 319 OE1 GLU A 24 -1.739 -6.947 -9.889 1.00 0.01 O ATOM 320 OE2 GLU A 24 -0.737 -5.920 -11.495 1.00 0.00 O ATOM 0 H GLU A 24 -5.410 -5.507 -8.058 1.00 0.01 H new ATOM 0 HA GLU A 24 -2.634 -5.207 -8.595 1.00 0.01 H new ATOM 0 HB2 GLU A 24 -4.224 -6.693 -9.838 1.00 0.01 H new ATOM 0 HB3 GLU A 24 -5.048 -5.287 -10.480 1.00 0.01 H new ATOM 0 HG2 GLU A 24 -3.454 -6.125 -12.163 1.00 0.01 H new ATOM 0 HG3 GLU A 24 -2.918 -4.554 -11.601 1.00 0.01 H new ATOM 327 N CYS A 25 -4.473 -2.615 -9.453 1.00 0.01 N ATOM 328 CA CYS A 25 -4.315 -1.195 -9.862 1.00 0.01 C ATOM 329 C CYS A 25 -3.893 -0.393 -8.643 1.00 0.01 C ATOM 330 O CYS A 25 -3.080 0.507 -8.731 1.00 0.00 O ATOM 331 CB CYS A 25 -5.631 -0.650 -10.413 1.00 0.01 C ATOM 332 SG CYS A 25 -5.273 0.815 -11.409 1.00 0.00 S ATOM 0 H CYS A 25 -5.427 -2.914 -9.253 1.00 0.01 H new ATOM 0 HA CYS A 25 -3.561 -1.118 -10.645 1.00 0.01 H new ATOM 0 HB2 CYS A 25 -6.131 -1.407 -11.018 1.00 0.01 H new ATOM 0 HB3 CYS A 25 -6.308 -0.397 -9.597 1.00 0.01 H new ATOM 0 HG CYS A 25 -6.382 1.294 -11.890 1.00 0.00 H new ATOM 338 N GLY A 26 -4.403 -0.730 -7.493 1.00 0.01 N ATOM 339 CA GLY A 26 -3.978 0.005 -6.283 1.00 0.01 C ATOM 340 C GLY A 26 -2.468 -0.158 -6.173 1.00 0.01 C ATOM 341 O GLY A 26 -1.758 0.780 -5.898 1.00 0.01 O ATOM 0 H GLY A 26 -5.086 -1.473 -7.344 1.00 0.01 H new ATOM 0 HA2 GLY A 26 -4.248 1.058 -6.356 1.00 0.01 H new ATOM 0 HA3 GLY A 26 -4.475 -0.390 -5.397 1.00 0.01 H new ATOM 345 N LEU A 27 -1.974 -1.345 -6.425 1.00 0.01 N ATOM 346 CA LEU A 27 -0.502 -1.572 -6.364 1.00 0.00 C ATOM 347 C LEU A 27 0.207 -0.627 -7.340 1.00 0.00 C ATOM 348 O LEU A 27 1.214 -0.030 -7.014 1.00 0.00 O ATOM 349 CB LEU A 27 -0.182 -3.023 -6.742 1.00 0.00 C ATOM 350 CG LEU A 27 -0.528 -3.965 -5.574 1.00 0.00 C ATOM 351 CD1 LEU A 27 -0.421 -5.422 -6.046 1.00 0.00 C ATOM 352 CD2 LEU A 27 0.431 -3.726 -4.382 1.00 0.01 C ATOM 0 H LEU A 27 -2.529 -2.165 -6.670 1.00 0.01 H new ATOM 0 HA LEU A 27 -0.155 -1.377 -5.349 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -0.747 -3.309 -7.629 1.00 0.00 H new ATOM 0 HB3 LEU A 27 0.874 -3.117 -6.994 1.00 0.00 H new ATOM 0 HG LEU A 27 -1.547 -3.761 -5.244 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -0.666 -6.091 -5.221 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -1.117 -5.590 -6.868 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.596 -5.621 -6.385 1.00 0.00 H new ATOM 0 HD21 LEU A 27 0.172 -4.400 -3.566 1.00 0.01 H new ATOM 0 HD22 LEU A 27 1.457 -3.915 -4.697 1.00 0.01 H new ATOM 0 HD23 LEU A 27 0.340 -2.694 -4.043 1.00 0.01 H new ATOM 364 N ALA A 28 -0.298 -0.485 -8.537 1.00 0.00 N ATOM 365 CA ALA A 28 0.372 0.421 -9.516 1.00 0.00 C ATOM 366 C ALA A 28 0.374 1.860 -8.988 1.00 0.01 C ATOM 367 O ALA A 28 1.408 2.495 -8.883 1.00 0.00 O ATOM 368 CB ALA A 28 -0.375 0.374 -10.850 1.00 0.00 C ATOM 0 H ALA A 28 -1.138 -0.953 -8.877 1.00 0.00 H new ATOM 0 HA ALA A 28 1.401 0.090 -9.657 1.00 0.00 H new ATOM 0 HB1 ALA A 28 0.114 1.036 -11.565 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -0.368 -0.646 -11.235 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -1.405 0.698 -10.702 1.00 0.00 H new ATOM 374 N ALA A 29 -0.775 2.378 -8.663 1.00 0.00 N ATOM 375 CA ALA A 29 -0.855 3.777 -8.149 1.00 0.01 C ATOM 376 C ALA A 29 -0.196 3.861 -6.775 1.00 0.00 C ATOM 377 O ALA A 29 0.433 4.841 -6.430 1.00 0.00 O ATOM 378 CB ALA A 29 -2.328 4.190 -8.029 1.00 0.01 C ATOM 0 H ALA A 29 -1.669 1.892 -8.731 1.00 0.00 H new ATOM 0 HA ALA A 29 -0.339 4.444 -8.839 1.00 0.01 H new ATOM 0 HB1 ALA A 29 -2.390 5.211 -7.654 1.00 0.01 H new ATOM 0 HB2 ALA A 29 -2.803 4.134 -9.009 1.00 0.01 H new ATOM 0 HB3 ALA A 29 -2.839 3.518 -7.339 1.00 0.01 H new ATOM 384 N PHE A 30 -0.355 2.843 -5.984 1.00 0.00 N ATOM 385 CA PHE A 30 0.232 2.850 -4.620 1.00 0.00 C ATOM 386 C PHE A 30 1.759 2.999 -4.683 1.00 0.00 C ATOM 387 O PHE A 30 2.333 3.864 -4.052 1.00 0.00 O ATOM 388 CB PHE A 30 -0.127 1.518 -3.971 1.00 0.00 C ATOM 389 CG PHE A 30 0.598 1.328 -2.679 1.00 0.00 C ATOM 390 CD1 PHE A 30 1.860 0.737 -2.675 1.00 0.00 C ATOM 391 CD2 PHE A 30 -0.005 1.716 -1.489 1.00 0.00 C ATOM 392 CE1 PHE A 30 2.525 0.538 -1.470 1.00 0.00 C ATOM 393 CE2 PHE A 30 0.653 1.513 -0.286 1.00 0.00 C ATOM 394 CZ PHE A 30 1.924 0.922 -0.273 1.00 0.00 C ATOM 0 H PHE A 30 -0.872 1.998 -6.226 1.00 0.00 H new ATOM 0 HA PHE A 30 -0.159 3.690 -4.046 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -1.202 1.475 -3.796 1.00 0.00 H new ATOM 0 HB3 PHE A 30 0.119 0.702 -4.651 1.00 0.00 H new ATOM 0 HD1 PHE A 30 2.320 0.435 -3.604 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -0.983 2.174 -1.501 1.00 0.00 H new ATOM 0 HE1 PHE A 30 3.506 0.086 -1.462 1.00 0.00 H new ATOM 0 HE2 PHE A 30 0.186 1.810 0.641 1.00 0.00 H new ATOM 0 HZ PHE A 30 2.437 0.764 0.664 1.00 0.00 H new ATOM 404 N LYS A 31 2.421 2.159 -5.429 1.00 0.00 N ATOM 405 CA LYS A 31 3.907 2.250 -5.517 1.00 0.00 C ATOM 406 C LYS A 31 4.330 3.609 -6.089 1.00 0.00 C ATOM 407 O LYS A 31 5.306 4.195 -5.665 1.00 0.00 O ATOM 408 CB LYS A 31 4.426 1.148 -6.440 1.00 0.00 C ATOM 409 CG LYS A 31 4.238 -0.215 -5.777 1.00 0.00 C ATOM 410 CD LYS A 31 4.763 -1.304 -6.715 1.00 0.00 C ATOM 411 CE LYS A 31 4.585 -2.681 -6.070 1.00 0.01 C ATOM 412 NZ LYS A 31 3.190 -3.150 -6.290 1.00 0.00 N ATOM 0 H LYS A 31 1.998 1.413 -5.982 1.00 0.00 H new ATOM 0 HA LYS A 31 4.323 2.137 -4.516 1.00 0.00 H new ATOM 0 HB2 LYS A 31 3.893 1.177 -7.391 1.00 0.00 H new ATOM 0 HB3 LYS A 31 5.481 1.313 -6.661 1.00 0.00 H new ATOM 0 HG2 LYS A 31 4.771 -0.248 -4.827 1.00 0.00 H new ATOM 0 HG3 LYS A 31 3.184 -0.384 -5.557 1.00 0.00 H new ATOM 0 HD2 LYS A 31 4.229 -1.266 -7.664 1.00 0.00 H new ATOM 0 HD3 LYS A 31 5.816 -1.130 -6.935 1.00 0.00 H new ATOM 0 HE2 LYS A 31 5.292 -3.391 -6.500 1.00 0.01 H new ATOM 0 HE3 LYS A 31 4.798 -2.626 -5.003 1.00 0.01 H new ATOM 0 HZ1 LYS A 31 3.097 -4.131 -5.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 2.532 -2.543 -5.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 2.964 -3.104 -7.304 1.00 0.00 H new ATOM 426 N ALA A 32 3.625 4.095 -7.071 1.00 0.00 N ATOM 427 CA ALA A 32 4.008 5.394 -7.697 1.00 0.00 C ATOM 428 C ALA A 32 3.782 6.568 -6.735 1.00 0.01 C ATOM 429 O ALA A 32 4.653 7.392 -6.543 1.00 0.00 O ATOM 430 CB ALA A 32 3.170 5.604 -8.959 1.00 0.00 C ATOM 0 H ALA A 32 2.798 3.649 -7.469 1.00 0.00 H new ATOM 0 HA ALA A 32 5.069 5.359 -7.944 1.00 0.00 H new ATOM 0 HB1 ALA A 32 3.443 6.551 -9.424 1.00 0.00 H new ATOM 0 HB2 ALA A 32 3.356 4.790 -9.659 1.00 0.00 H new ATOM 0 HB3 ALA A 32 2.113 5.621 -8.695 1.00 0.00 H new ATOM 436 N PHE A 33 2.619 6.676 -6.159 1.00 0.00 N ATOM 437 CA PHE A 33 2.354 7.824 -5.243 1.00 0.00 C ATOM 438 C PHE A 33 3.330 7.832 -4.064 1.00 0.00 C ATOM 439 O PHE A 33 3.904 8.850 -3.734 1.00 0.00 O ATOM 440 CB PHE A 33 0.929 7.755 -4.710 1.00 0.00 C ATOM 441 CG PHE A 33 0.630 9.040 -3.983 1.00 0.00 C ATOM 442 CD1 PHE A 33 0.165 10.147 -4.697 1.00 0.00 C ATOM 443 CD2 PHE A 33 0.833 9.131 -2.603 1.00 0.00 C ATOM 444 CE1 PHE A 33 -0.096 11.349 -4.033 1.00 0.01 C ATOM 445 CE2 PHE A 33 0.570 10.332 -1.936 1.00 0.00 C ATOM 446 CZ PHE A 33 0.106 11.442 -2.653 1.00 0.00 C ATOM 0 H PHE A 33 1.843 6.025 -6.280 1.00 0.00 H new ATOM 0 HA PHE A 33 2.490 8.741 -5.817 1.00 0.00 H new ATOM 0 HB2 PHE A 33 0.224 7.610 -5.529 1.00 0.00 H new ATOM 0 HB3 PHE A 33 0.816 6.904 -4.038 1.00 0.00 H new ATOM 0 HD1 PHE A 33 0.007 10.074 -5.763 1.00 0.00 H new ATOM 0 HD2 PHE A 33 1.193 8.275 -2.052 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -0.453 12.205 -4.586 1.00 0.01 H new ATOM 0 HE2 PHE A 33 0.725 10.403 -0.869 1.00 0.00 H new ATOM 0 HZ PHE A 33 -0.096 12.370 -2.139 1.00 0.00 H new ATOM 456 N LEU A 34 3.515 6.719 -3.413 1.00 0.00 N ATOM 457 CA LEU A 34 4.445 6.701 -2.247 1.00 0.00 C ATOM 458 C LEU A 34 5.837 7.105 -2.714 1.00 0.00 C ATOM 459 O LEU A 34 6.542 7.823 -2.033 1.00 0.00 O ATOM 460 CB LEU A 34 4.513 5.302 -1.628 1.00 0.00 C ATOM 461 CG LEU A 34 3.172 4.896 -0.999 1.00 0.00 C ATOM 462 CD1 LEU A 34 3.379 3.592 -0.235 1.00 0.00 C ATOM 463 CD2 LEU A 34 2.661 5.970 -0.021 1.00 0.00 C ATOM 0 H LEU A 34 3.069 5.829 -3.633 1.00 0.00 H new ATOM 0 HA LEU A 34 4.077 7.400 -1.496 1.00 0.00 H new ATOM 0 HB2 LEU A 34 4.790 4.578 -2.394 1.00 0.00 H new ATOM 0 HB3 LEU A 34 5.294 5.277 -0.868 1.00 0.00 H new ATOM 0 HG LEU A 34 2.433 4.779 -1.792 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.438 3.284 0.221 1.00 0.00 H new ATOM 0 HD12 LEU A 34 3.720 2.818 -0.922 1.00 0.00 H new ATOM 0 HD13 LEU A 34 4.127 3.741 0.543 1.00 0.00 H new ATOM 0 HD21 LEU A 34 1.710 5.651 0.406 1.00 0.00 H new ATOM 0 HD22 LEU A 34 3.389 6.110 0.778 1.00 0.00 H new ATOM 0 HD23 LEU A 34 2.522 6.911 -0.554 1.00 0.00 H new ATOM 475 N LYS A 35 6.238 6.668 -3.870 1.00 0.00 N ATOM 476 CA LYS A 35 7.583 7.057 -4.360 1.00 0.00 C ATOM 477 C LYS A 35 7.644 8.584 -4.355 1.00 0.01 C ATOM 478 O LYS A 35 8.636 9.181 -3.987 1.00 0.00 O ATOM 479 CB LYS A 35 7.782 6.522 -5.779 1.00 0.00 C ATOM 480 CG LYS A 35 9.247 6.681 -6.191 1.00 0.00 C ATOM 481 CD LYS A 35 9.442 6.104 -7.594 1.00 0.00 C ATOM 482 CE LYS A 35 10.934 6.049 -7.933 1.00 0.00 C ATOM 483 NZ LYS A 35 11.638 5.166 -6.958 1.00 0.01 N ATOM 0 H LYS A 35 5.699 6.065 -4.491 1.00 0.00 H new ATOM 0 HA LYS A 35 8.368 6.644 -3.727 1.00 0.00 H new ATOM 0 HB2 LYS A 35 7.493 5.472 -5.826 1.00 0.00 H new ATOM 0 HB3 LYS A 35 7.138 7.061 -6.474 1.00 0.00 H new ATOM 0 HG2 LYS A 35 9.529 7.734 -6.176 1.00 0.00 H new ATOM 0 HG3 LYS A 35 9.895 6.167 -5.481 1.00 0.00 H new ATOM 0 HD2 LYS A 35 9.011 5.104 -7.649 1.00 0.00 H new ATOM 0 HD3 LYS A 35 8.917 6.718 -8.325 1.00 0.00 H new ATOM 0 HE2 LYS A 35 11.073 5.672 -8.946 1.00 0.00 H new ATOM 0 HE3 LYS A 35 11.361 7.052 -7.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 12.306 5.732 -6.397 1.00 0.01 H new ATOM 0 HZ2 LYS A 35 10.942 4.724 -6.324 1.00 0.01 H new ATOM 0 HZ3 LYS A 35 12.157 4.426 -7.472 1.00 0.01 H new ATOM 497 N SER A 36 6.564 9.214 -4.732 1.00 0.00 N ATOM 498 CA SER A 36 6.521 10.700 -4.721 1.00 0.00 C ATOM 499 C SER A 36 6.619 11.177 -3.269 1.00 0.00 C ATOM 500 O SER A 36 6.938 12.318 -2.997 1.00 0.00 O ATOM 501 CB SER A 36 5.197 11.176 -5.323 1.00 0.00 C ATOM 502 OG SER A 36 4.966 10.493 -6.548 1.00 0.00 O ATOM 0 H SER A 36 5.707 8.759 -5.048 1.00 0.00 H new ATOM 0 HA SER A 36 7.347 11.103 -5.307 1.00 0.00 H new ATOM 0 HB2 SER A 36 4.379 10.987 -4.628 1.00 0.00 H new ATOM 0 HB3 SER A 36 5.228 12.252 -5.493 1.00 0.00 H new ATOM 0 HG SER A 36 4.118 10.794 -6.936 1.00 0.00 H new ATOM 508 N GLU A 37 6.336 10.301 -2.331 1.00 0.00 N ATOM 509 CA GLU A 37 6.396 10.679 -0.882 1.00 0.00 C ATOM 510 C GLU A 37 7.638 10.053 -0.242 1.00 0.00 C ATOM 511 O GLU A 37 7.805 10.083 0.959 1.00 0.00 O ATOM 512 CB GLU A 37 5.150 10.152 -0.166 1.00 0.00 C ATOM 513 CG GLU A 37 3.894 10.759 -0.795 1.00 0.00 C ATOM 514 CD GLU A 37 3.906 12.278 -0.613 1.00 0.01 C ATOM 515 OE1 GLU A 37 3.937 12.718 0.525 1.00 0.00 O ATOM 516 OE2 GLU A 37 3.891 12.975 -1.614 1.00 0.00 O ATOM 0 H GLU A 37 6.064 9.334 -2.510 1.00 0.00 H new ATOM 0 HA GLU A 37 6.442 11.764 -0.794 1.00 0.00 H new ATOM 0 HB2 GLU A 37 5.113 9.065 -0.234 1.00 0.00 H new ATOM 0 HB3 GLU A 37 5.195 10.403 0.894 1.00 0.00 H new ATOM 0 HG2 GLU A 37 3.851 10.511 -1.856 1.00 0.00 H new ATOM 0 HG3 GLU A 37 3.003 10.335 -0.332 1.00 0.00 H new ATOM 523 N TYR A 38 8.504 9.489 -1.040 1.00 0.00 N ATOM 524 CA TYR A 38 9.747 8.865 -0.499 1.00 0.00 C ATOM 525 C TYR A 38 9.392 7.785 0.518 1.00 0.00 C ATOM 526 O TYR A 38 10.179 7.444 1.379 1.00 0.00 O ATOM 527 CB TYR A 38 10.608 9.942 0.155 1.00 0.00 C ATOM 528 CG TYR A 38 10.953 10.965 -0.891 1.00 0.00 C ATOM 529 CD1 TYR A 38 12.098 10.805 -1.674 1.00 0.00 C ATOM 530 CD2 TYR A 38 10.112 12.067 -1.091 1.00 0.00 C ATOM 531 CE1 TYR A 38 12.407 11.747 -2.660 1.00 0.00 C ATOM 532 CE2 TYR A 38 10.420 13.009 -2.077 1.00 0.00 C ATOM 533 CZ TYR A 38 11.569 12.850 -2.862 1.00 0.01 C ATOM 534 OH TYR A 38 11.872 13.777 -3.836 1.00 0.00 O ATOM 0 H TYR A 38 8.403 9.433 -2.053 1.00 0.00 H new ATOM 0 HA TYR A 38 10.304 8.403 -1.314 1.00 0.00 H new ATOM 0 HB2 TYR A 38 10.071 10.409 0.981 1.00 0.00 H new ATOM 0 HB3 TYR A 38 11.515 9.503 0.572 1.00 0.00 H new ATOM 0 HD1 TYR A 38 12.745 9.954 -1.518 1.00 0.00 H new ATOM 0 HD2 TYR A 38 9.227 12.189 -0.484 1.00 0.00 H new ATOM 0 HE1 TYR A 38 13.292 11.624 -3.266 1.00 0.00 H new ATOM 0 HE2 TYR A 38 9.772 13.859 -2.233 1.00 0.00 H new ATOM 0 HH TYR A 38 11.187 14.478 -3.845 1.00 0.00 H new ATOM 544 N SER A 39 8.217 7.228 0.410 1.00 0.00 N ATOM 545 CA SER A 39 7.797 6.149 1.348 1.00 0.00 C ATOM 546 C SER A 39 7.976 4.803 0.645 1.00 0.00 C ATOM 547 O SER A 39 7.413 3.802 1.040 1.00 0.00 O ATOM 548 CB SER A 39 6.328 6.355 1.731 1.00 0.00 C ATOM 549 OG SER A 39 6.249 7.308 2.782 1.00 0.00 O ATOM 0 H SER A 39 7.523 7.477 -0.295 1.00 0.00 H new ATOM 0 HA SER A 39 8.402 6.172 2.255 1.00 0.00 H new ATOM 0 HB2 SER A 39 5.759 6.700 0.867 1.00 0.00 H new ATOM 0 HB3 SER A 39 5.886 5.410 2.047 1.00 0.00 H new ATOM 0 HG SER A 39 5.311 7.445 3.030 1.00 0.00 H new ATOM 555 N GLU A 40 8.761 4.775 -0.401 1.00 0.00 N ATOM 556 CA GLU A 40 8.976 3.497 -1.133 1.00 0.00 C ATOM 557 C GLU A 40 9.777 2.543 -0.250 1.00 0.00 C ATOM 558 O GLU A 40 9.759 1.345 -0.430 1.00 0.00 O ATOM 559 CB GLU A 40 9.737 3.761 -2.433 1.00 0.00 C ATOM 560 CG GLU A 40 11.071 4.445 -2.125 1.00 0.00 C ATOM 561 CD GLU A 40 11.819 4.707 -3.434 1.00 0.00 C ATOM 562 OE1 GLU A 40 11.409 4.161 -4.446 1.00 0.00 O ATOM 563 OE2 GLU A 40 12.788 5.447 -3.404 1.00 0.00 O ATOM 0 H GLU A 40 9.260 5.581 -0.777 1.00 0.00 H new ATOM 0 HA GLU A 40 8.012 3.050 -1.375 1.00 0.00 H new ATOM 0 HB2 GLU A 40 9.912 2.823 -2.959 1.00 0.00 H new ATOM 0 HB3 GLU A 40 9.140 4.390 -3.093 1.00 0.00 H new ATOM 0 HG2 GLU A 40 10.899 5.383 -1.597 1.00 0.00 H new ATOM 0 HG3 GLU A 40 11.672 3.816 -1.469 1.00 0.00 H new ATOM 570 N GLU A 41 10.472 3.054 0.717 1.00 0.00 N ATOM 571 CA GLU A 41 11.240 2.152 1.605 1.00 0.00 C ATOM 572 C GLU A 41 10.246 1.232 2.315 1.00 0.00 C ATOM 573 O GLU A 41 10.516 0.076 2.574 1.00 0.00 O ATOM 574 CB GLU A 41 12.019 2.983 2.629 1.00 0.00 C ATOM 575 CG GLU A 41 11.046 3.719 3.556 1.00 0.00 C ATOM 576 CD GLU A 41 11.833 4.670 4.456 1.00 0.00 C ATOM 577 OE1 GLU A 41 13.048 4.579 4.455 1.00 0.00 O ATOM 578 OE2 GLU A 41 11.207 5.470 5.130 1.00 0.00 O ATOM 0 H GLU A 41 10.542 4.049 0.931 1.00 0.00 H new ATOM 0 HA GLU A 41 11.952 1.559 1.030 1.00 0.00 H new ATOM 0 HB2 GLU A 41 12.672 2.335 3.214 1.00 0.00 H new ATOM 0 HB3 GLU A 41 12.659 3.701 2.116 1.00 0.00 H new ATOM 0 HG2 GLU A 41 10.316 4.276 2.969 1.00 0.00 H new ATOM 0 HG3 GLU A 41 10.489 3.003 4.161 1.00 0.00 H new ATOM 585 N ASN A 42 9.092 1.757 2.634 1.00 0.00 N ATOM 586 CA ASN A 42 8.054 0.952 3.335 1.00 0.00 C ATOM 587 C ASN A 42 7.634 -0.258 2.490 1.00 0.00 C ATOM 588 O ASN A 42 7.493 -1.350 3.003 1.00 0.00 O ATOM 589 CB ASN A 42 6.830 1.833 3.595 1.00 0.00 C ATOM 590 CG ASN A 42 7.164 2.880 4.661 1.00 0.00 C ATOM 591 OD1 ASN A 42 6.690 3.997 4.596 1.00 0.00 O ATOM 592 ND2 ASN A 42 7.968 2.569 5.643 1.00 0.00 N ATOM 0 H ASN A 42 8.824 2.721 2.435 1.00 0.00 H new ATOM 0 HA ASN A 42 8.470 0.590 4.275 1.00 0.00 H new ATOM 0 HB2 ASN A 42 6.522 2.325 2.673 1.00 0.00 H new ATOM 0 HB3 ASN A 42 5.992 1.219 3.925 1.00 0.00 H new ATOM 0 HD21 ASN A 42 8.197 3.264 6.354 1.00 0.00 H new ATOM 0 HD22 ASN A 42 8.366 1.632 5.699 1.00 0.00 H new ATOM 599 N ILE A 43 7.415 -0.089 1.207 1.00 0.00 N ATOM 600 CA ILE A 43 6.991 -1.266 0.390 1.00 0.00 C ATOM 601 C ILE A 43 8.163 -2.240 0.256 1.00 0.00 C ATOM 602 O ILE A 43 7.989 -3.439 0.351 1.00 0.00 O ATOM 603 CB ILE A 43 6.454 -0.825 -0.994 1.00 0.00 C ATOM 604 CG1 ILE A 43 5.832 -2.035 -1.724 1.00 0.00 C ATOM 605 CG2 ILE A 43 7.559 -0.219 -1.867 1.00 0.00 C ATOM 606 CD1 ILE A 43 4.434 -2.371 -1.163 1.00 0.00 C ATOM 0 H ILE A 43 7.509 0.792 0.701 1.00 0.00 H new ATOM 0 HA ILE A 43 6.171 -1.774 0.897 1.00 0.00 H new ATOM 0 HB ILE A 43 5.697 -0.059 -0.825 1.00 0.00 H new ATOM 0 HG12 ILE A 43 5.756 -1.820 -2.790 1.00 0.00 H new ATOM 0 HG13 ILE A 43 6.486 -2.901 -1.619 1.00 0.00 H new ATOM 0 HG21 ILE A 43 7.141 0.077 -2.829 1.00 0.00 H new ATOM 0 HG22 ILE A 43 7.978 0.655 -1.369 1.00 0.00 H new ATOM 0 HG23 ILE A 43 8.344 -0.958 -2.025 1.00 0.00 H new ATOM 0 HD11 ILE A 43 4.023 -3.227 -1.698 1.00 0.00 H new ATOM 0 HD12 ILE A 43 4.515 -2.611 -0.103 1.00 0.00 H new ATOM 0 HD13 ILE A 43 3.775 -1.513 -1.291 1.00 0.00 H new ATOM 618 N ASP A 44 9.360 -1.751 0.068 1.00 0.00 N ATOM 619 CA ASP A 44 10.514 -2.683 -0.032 1.00 0.00 C ATOM 620 C ASP A 44 10.611 -3.438 1.292 1.00 0.00 C ATOM 621 O ASP A 44 10.822 -4.633 1.333 1.00 0.00 O ATOM 622 CB ASP A 44 11.803 -1.897 -0.278 1.00 0.00 C ATOM 623 CG ASP A 44 11.787 -1.310 -1.691 1.00 0.00 C ATOM 624 OD1 ASP A 44 11.005 -1.784 -2.499 1.00 0.00 O ATOM 625 OD2 ASP A 44 12.561 -0.403 -1.943 1.00 0.00 O ATOM 0 H ASP A 44 9.584 -0.760 -0.019 1.00 0.00 H new ATOM 0 HA ASP A 44 10.375 -3.376 -0.861 1.00 0.00 H new ATOM 0 HB2 ASP A 44 11.899 -1.098 0.457 1.00 0.00 H new ATOM 0 HB3 ASP A 44 12.667 -2.549 -0.155 1.00 0.00 H new ATOM 630 N PHE A 45 10.421 -2.738 2.376 1.00 0.00 N ATOM 631 CA PHE A 45 10.457 -3.385 3.713 1.00 0.00 C ATOM 632 C PHE A 45 9.285 -4.363 3.807 1.00 0.00 C ATOM 633 O PHE A 45 9.413 -5.466 4.302 1.00 0.00 O ATOM 634 CB PHE A 45 10.327 -2.299 4.786 1.00 0.00 C ATOM 635 CG PHE A 45 10.257 -2.914 6.164 1.00 0.00 C ATOM 636 CD1 PHE A 45 11.431 -3.259 6.845 1.00 0.00 C ATOM 637 CD2 PHE A 45 9.012 -3.127 6.769 1.00 0.00 C ATOM 638 CE1 PHE A 45 11.361 -3.820 8.127 1.00 0.00 C ATOM 639 CE2 PHE A 45 8.940 -3.685 8.051 1.00 0.00 C ATOM 640 CZ PHE A 45 10.115 -4.032 8.730 1.00 0.00 C ATOM 0 H PHE A 45 10.240 -1.734 2.390 1.00 0.00 H new ATOM 0 HA PHE A 45 11.393 -3.924 3.861 1.00 0.00 H new ATOM 0 HB2 PHE A 45 11.178 -1.620 4.728 1.00 0.00 H new ATOM 0 HB3 PHE A 45 9.432 -1.705 4.602 1.00 0.00 H new ATOM 0 HD1 PHE A 45 12.392 -3.092 6.381 1.00 0.00 H new ATOM 0 HD2 PHE A 45 8.106 -2.860 6.246 1.00 0.00 H new ATOM 0 HE1 PHE A 45 12.267 -4.089 8.650 1.00 0.00 H new ATOM 0 HE2 PHE A 45 7.979 -3.848 8.516 1.00 0.00 H new ATOM 0 HZ PHE A 45 10.060 -4.463 9.719 1.00 0.00 H new ATOM 650 N TRP A 46 8.143 -3.957 3.327 1.00 0.00 N ATOM 651 CA TRP A 46 6.946 -4.841 3.370 1.00 0.00 C ATOM 652 C TRP A 46 7.204 -6.110 2.553 1.00 0.00 C ATOM 653 O TRP A 46 6.894 -7.202 2.978 1.00 0.00 O ATOM 654 CB TRP A 46 5.747 -4.097 2.781 1.00 0.00 C ATOM 655 CG TRP A 46 4.509 -4.918 2.951 1.00 0.00 C ATOM 656 CD1 TRP A 46 3.828 -5.063 4.111 1.00 0.00 C ATOM 657 CD2 TRP A 46 3.788 -5.695 1.952 1.00 0.00 C ATOM 658 NE1 TRP A 46 2.737 -5.882 3.887 1.00 0.00 N ATOM 659 CE2 TRP A 46 2.669 -6.298 2.574 1.00 0.00 C ATOM 660 CE3 TRP A 46 3.994 -5.937 0.581 1.00 0.01 C ATOM 661 CZ2 TRP A 46 1.786 -7.109 1.863 1.00 0.00 C ATOM 662 CZ3 TRP A 46 3.106 -6.754 -0.138 1.00 0.00 C ATOM 663 CH2 TRP A 46 2.004 -7.336 0.502 1.00 0.00 C ATOM 0 H TRP A 46 7.987 -3.042 2.903 1.00 0.00 H new ATOM 0 HA TRP A 46 6.740 -5.116 4.405 1.00 0.00 H new ATOM 0 HB2 TRP A 46 5.626 -3.133 3.276 1.00 0.00 H new ATOM 0 HB3 TRP A 46 5.917 -3.893 1.724 1.00 0.00 H new ATOM 0 HD1 TRP A 46 4.093 -4.613 5.056 1.00 0.00 H new ATOM 0 HE1 TRP A 46 2.064 -6.147 4.606 1.00 0.00 H new ATOM 0 HE3 TRP A 46 4.840 -5.492 0.079 1.00 0.01 H new ATOM 0 HZ2 TRP A 46 0.939 -7.559 2.361 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 3.274 -6.934 -1.190 1.00 0.00 H new ATOM 0 HH2 TRP A 46 1.323 -7.960 -0.057 1.00 0.00 H new ATOM 674 N ILE A 47 7.764 -5.976 1.378 1.00 0.00 N ATOM 675 CA ILE A 47 8.022 -7.186 0.541 1.00 0.00 C ATOM 676 C ILE A 47 8.952 -8.125 1.298 1.00 0.00 C ATOM 677 O ILE A 47 8.729 -9.319 1.362 1.00 0.00 O ATOM 678 CB ILE A 47 8.685 -6.771 -0.779 1.00 0.00 C ATOM 679 CG1 ILE A 47 7.681 -5.997 -1.637 1.00 0.00 C ATOM 680 CG2 ILE A 47 9.145 -8.021 -1.539 1.00 0.00 C ATOM 681 CD1 ILE A 47 8.413 -5.351 -2.817 1.00 0.00 C ATOM 0 H ILE A 47 8.052 -5.089 0.965 1.00 0.00 H new ATOM 0 HA ILE A 47 7.079 -7.689 0.327 1.00 0.00 H new ATOM 0 HB ILE A 47 9.546 -6.137 -0.565 1.00 0.00 H new ATOM 0 HG12 ILE A 47 6.903 -6.668 -2.001 1.00 0.00 H new ATOM 0 HG13 ILE A 47 7.187 -5.232 -1.038 1.00 0.00 H new ATOM 0 HG21 ILE A 47 9.616 -7.724 -2.476 1.00 0.00 H new ATOM 0 HG22 ILE A 47 9.862 -8.573 -0.931 1.00 0.00 H new ATOM 0 HG23 ILE A 47 8.284 -8.656 -1.750 1.00 0.00 H new ATOM 0 HD11 ILE A 47 7.700 -4.799 -3.430 1.00 0.00 H new ATOM 0 HD12 ILE A 47 9.175 -4.667 -2.442 1.00 0.00 H new ATOM 0 HD13 ILE A 47 8.886 -6.126 -3.420 1.00 0.00 H new ATOM 693 N SER A 48 9.990 -7.602 1.875 1.00 0.00 N ATOM 694 CA SER A 48 10.923 -8.473 2.626 1.00 0.00 C ATOM 695 C SER A 48 10.193 -9.039 3.844 1.00 0.00 C ATOM 696 O SER A 48 10.343 -10.195 4.191 1.00 0.00 O ATOM 697 CB SER A 48 12.123 -7.651 3.080 1.00 0.00 C ATOM 698 OG SER A 48 11.703 -6.700 4.050 1.00 0.00 O ATOM 0 H SER A 48 10.232 -6.611 1.859 1.00 0.00 H new ATOM 0 HA SER A 48 11.268 -9.290 1.992 1.00 0.00 H new ATOM 0 HB2 SER A 48 12.887 -8.304 3.502 1.00 0.00 H new ATOM 0 HB3 SER A 48 12.573 -7.143 2.227 1.00 0.00 H new ATOM 0 HG SER A 48 10.855 -6.298 3.768 1.00 0.00 H new ATOM 704 N CYS A 49 9.393 -8.233 4.492 1.00 0.00 N ATOM 705 CA CYS A 49 8.646 -8.723 5.682 1.00 0.00 C ATOM 706 C CYS A 49 7.576 -9.723 5.245 1.00 0.00 C ATOM 707 O CYS A 49 7.276 -10.664 5.949 1.00 0.01 O ATOM 708 CB CYS A 49 7.990 -7.547 6.402 1.00 0.00 C ATOM 709 SG CYS A 49 9.274 -6.376 6.908 1.00 0.01 S ATOM 0 H CYS A 49 9.226 -7.257 4.247 1.00 0.00 H new ATOM 0 HA CYS A 49 9.341 -9.216 6.362 1.00 0.00 H new ATOM 0 HB2 CYS A 49 7.271 -7.057 5.745 1.00 0.00 H new ATOM 0 HB3 CYS A 49 7.437 -7.899 7.273 1.00 0.00 H new ATOM 0 HG CYS A 49 8.736 -5.216 7.142 1.00 0.01 H new ATOM 715 N GLU A 50 6.999 -9.546 4.089 1.00 0.00 N ATOM 716 CA GLU A 50 5.959 -10.518 3.650 1.00 0.00 C ATOM 717 C GLU A 50 6.596 -11.903 3.580 1.00 0.01 C ATOM 718 O GLU A 50 6.044 -12.869 4.062 1.00 0.00 O ATOM 719 CB GLU A 50 5.415 -10.125 2.271 1.00 0.01 C ATOM 720 CG GLU A 50 4.404 -8.984 2.423 1.00 0.00 C ATOM 721 CD GLU A 50 3.115 -9.527 3.037 1.00 0.01 C ATOM 722 OE1 GLU A 50 2.540 -10.434 2.456 1.00 0.00 O ATOM 723 OE2 GLU A 50 2.725 -9.031 4.082 1.00 0.01 O ATOM 0 H GLU A 50 7.197 -8.785 3.439 1.00 0.00 H new ATOM 0 HA GLU A 50 5.130 -10.519 4.358 1.00 0.00 H new ATOM 0 HB2 GLU A 50 6.233 -9.815 1.621 1.00 0.01 H new ATOM 0 HB3 GLU A 50 4.940 -10.984 1.798 1.00 0.01 H new ATOM 0 HG2 GLU A 50 4.818 -8.198 3.055 1.00 0.00 H new ATOM 0 HG3 GLU A 50 4.196 -8.535 1.452 1.00 0.00 H new ATOM 730 N GLU A 51 7.769 -12.006 3.019 1.00 0.01 N ATOM 731 CA GLU A 51 8.436 -13.335 2.968 1.00 0.00 C ATOM 732 C GLU A 51 8.632 -13.811 4.408 1.00 0.01 C ATOM 733 O GLU A 51 8.455 -14.967 4.727 1.00 0.00 O ATOM 734 CB GLU A 51 9.801 -13.205 2.282 1.00 0.00 C ATOM 735 CG GLU A 51 9.625 -13.125 0.760 1.00 0.00 C ATOM 736 CD GLU A 51 8.983 -11.790 0.381 1.00 0.00 C ATOM 737 OE1 GLU A 51 7.805 -11.622 0.645 1.00 0.01 O ATOM 738 OE2 GLU A 51 9.684 -10.957 -0.174 1.00 0.00 O ATOM 0 H GLU A 51 8.289 -11.236 2.598 1.00 0.01 H new ATOM 0 HA GLU A 51 7.829 -14.045 2.406 1.00 0.00 H new ATOM 0 HB2 GLU A 51 10.314 -12.314 2.643 1.00 0.00 H new ATOM 0 HB3 GLU A 51 10.428 -14.059 2.538 1.00 0.00 H new ATOM 0 HG2 GLU A 51 10.592 -13.227 0.267 1.00 0.00 H new ATOM 0 HG3 GLU A 51 9.002 -13.950 0.413 1.00 0.00 H new ATOM 745 N TYR A 52 8.990 -12.909 5.275 1.00 0.00 N ATOM 746 CA TYR A 52 9.199 -13.267 6.702 1.00 0.01 C ATOM 747 C TYR A 52 7.878 -13.752 7.302 1.00 0.01 C ATOM 748 O TYR A 52 7.830 -14.716 8.040 1.00 0.01 O ATOM 749 CB TYR A 52 9.664 -12.020 7.453 1.00 0.00 C ATOM 750 CG TYR A 52 10.134 -12.400 8.833 1.00 0.01 C ATOM 751 CD1 TYR A 52 9.203 -12.641 9.850 1.00 0.00 C ATOM 752 CD2 TYR A 52 11.501 -12.513 9.093 1.00 0.01 C ATOM 753 CE1 TYR A 52 9.644 -12.991 11.129 1.00 0.01 C ATOM 754 CE2 TYR A 52 11.943 -12.864 10.370 1.00 0.00 C ATOM 755 CZ TYR A 52 11.015 -13.104 11.390 1.00 0.01 C ATOM 756 OH TYR A 52 11.450 -13.450 12.652 1.00 0.01 O ATOM 0 H TYR A 52 9.149 -11.926 5.052 1.00 0.00 H new ATOM 0 HA TYR A 52 9.946 -14.057 6.784 1.00 0.01 H new ATOM 0 HB2 TYR A 52 10.471 -11.534 6.905 1.00 0.00 H new ATOM 0 HB3 TYR A 52 8.848 -11.301 7.522 1.00 0.00 H new ATOM 0 HD1 TYR A 52 8.146 -12.557 9.647 1.00 0.00 H new ATOM 0 HD2 TYR A 52 12.217 -12.329 8.306 1.00 0.01 H new ATOM 0 HE1 TYR A 52 8.927 -13.174 11.916 1.00 0.01 H new ATOM 0 HE2 TYR A 52 13.001 -12.950 10.571 1.00 0.00 H new ATOM 0 HH TYR A 52 10.677 -13.585 13.239 1.00 0.01 H new ATOM 766 N LYS A 53 6.807 -13.072 6.995 1.00 0.01 N ATOM 767 CA LYS A 53 5.478 -13.458 7.548 1.00 0.01 C ATOM 768 C LYS A 53 4.999 -14.770 6.928 1.00 0.01 C ATOM 769 O LYS A 53 4.148 -15.446 7.470 1.00 0.01 O ATOM 770 CB LYS A 53 4.467 -12.356 7.236 1.00 0.01 C ATOM 771 CG LYS A 53 4.828 -11.103 8.032 1.00 0.00 C ATOM 772 CD LYS A 53 3.819 -9.994 7.726 1.00 0.00 C ATOM 773 CE LYS A 53 4.242 -8.687 8.417 1.00 0.01 C ATOM 774 NZ LYS A 53 5.057 -7.876 7.470 1.00 0.00 N ATOM 0 H LYS A 53 6.796 -12.259 6.379 1.00 0.01 H new ATOM 0 HA LYS A 53 5.570 -13.592 8.626 1.00 0.01 H new ATOM 0 HB2 LYS A 53 4.469 -12.136 6.168 1.00 0.01 H new ATOM 0 HB3 LYS A 53 3.460 -12.686 7.492 1.00 0.01 H new ATOM 0 HG2 LYS A 53 4.828 -11.325 9.099 1.00 0.00 H new ATOM 0 HG3 LYS A 53 5.835 -10.774 7.775 1.00 0.00 H new ATOM 0 HD2 LYS A 53 3.752 -9.840 6.649 1.00 0.00 H new ATOM 0 HD3 LYS A 53 2.827 -10.290 8.067 1.00 0.00 H new ATOM 0 HE2 LYS A 53 3.362 -8.126 8.731 1.00 0.01 H new ATOM 0 HE3 LYS A 53 4.818 -8.906 9.316 1.00 0.01 H new ATOM 0 HZ1 LYS A 53 5.580 -7.148 7.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 5.730 -8.494 6.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 4.431 -7.418 6.777 1.00 0.00 H new ATOM 788 N LYS A 54 5.522 -15.136 5.787 1.00 0.00 N ATOM 789 CA LYS A 54 5.073 -16.402 5.134 1.00 0.01 C ATOM 790 C LYS A 54 5.993 -17.549 5.553 1.00 0.01 C ATOM 791 O LYS A 54 5.600 -18.698 5.559 1.00 0.01 O ATOM 792 CB LYS A 54 5.122 -16.218 3.618 1.00 0.01 C ATOM 793 CG LYS A 54 4.038 -15.222 3.200 1.00 0.01 C ATOM 794 CD LYS A 54 4.074 -15.025 1.682 1.00 0.00 C ATOM 795 CE LYS A 54 2.988 -14.026 1.276 1.00 0.01 C ATOM 796 NZ LYS A 54 1.690 -14.423 1.891 1.00 0.01 N ATOM 0 H LYS A 54 6.238 -14.615 5.280 1.00 0.00 H new ATOM 0 HA LYS A 54 4.054 -16.640 5.440 1.00 0.01 H new ATOM 0 HB2 LYS A 54 6.104 -15.855 3.315 1.00 0.01 H new ATOM 0 HB3 LYS A 54 4.967 -17.174 3.118 1.00 0.01 H new ATOM 0 HG2 LYS A 54 3.058 -15.588 3.506 1.00 0.01 H new ATOM 0 HG3 LYS A 54 4.194 -14.268 3.704 1.00 0.01 H new ATOM 0 HD2 LYS A 54 5.054 -14.660 1.374 1.00 0.00 H new ATOM 0 HD3 LYS A 54 3.916 -15.977 1.176 1.00 0.00 H new ATOM 0 HE2 LYS A 54 3.264 -13.022 1.599 1.00 0.01 H new ATOM 0 HE3 LYS A 54 2.894 -13.997 0.190 1.00 0.01 H new ATOM 0 HZ1 LYS A 54 0.908 -14.135 1.269 1.00 0.01 H new ATOM 0 HZ2 LYS A 54 1.668 -15.455 2.019 1.00 0.01 H new ATOM 0 HZ3 LYS A 54 1.587 -13.957 2.815 1.00 0.01 H new ATOM 810 N ILE A 55 7.204 -17.249 5.940 1.00 0.01 N ATOM 811 CA ILE A 55 8.118 -18.330 6.393 1.00 0.01 C ATOM 812 C ILE A 55 7.642 -18.809 7.764 1.00 0.00 C ATOM 813 O ILE A 55 7.615 -18.055 8.716 1.00 0.01 O ATOM 814 CB ILE A 55 9.554 -17.795 6.490 1.00 0.01 C ATOM 815 CG1 ILE A 55 10.112 -17.579 5.080 1.00 0.01 C ATOM 816 CG2 ILE A 55 10.440 -18.797 7.234 1.00 0.00 C ATOM 817 CD1 ILE A 55 11.372 -16.718 5.160 1.00 0.01 C ATOM 0 H ILE A 55 7.596 -16.307 5.961 1.00 0.01 H new ATOM 0 HA ILE A 55 8.108 -19.156 5.682 1.00 0.01 H new ATOM 0 HB ILE A 55 9.545 -16.851 7.035 1.00 0.01 H new ATOM 0 HG12 ILE A 55 10.343 -18.539 4.617 1.00 0.01 H new ATOM 0 HG13 ILE A 55 9.365 -17.093 4.452 1.00 0.01 H new ATOM 0 HG21 ILE A 55 11.456 -18.408 7.297 1.00 0.00 H new ATOM 0 HG22 ILE A 55 10.048 -18.953 8.239 1.00 0.00 H new ATOM 0 HG23 ILE A 55 10.448 -19.745 6.696 1.00 0.00 H new ATOM 0 HD11 ILE A 55 11.771 -16.563 4.158 1.00 0.01 H new ATOM 0 HD12 ILE A 55 11.126 -15.754 5.606 1.00 0.01 H new ATOM 0 HD13 ILE A 55 12.119 -17.222 5.774 1.00 0.01 H new ATOM 829 N LYS A 56 7.258 -20.053 7.873 1.00 0.01 N ATOM 830 CA LYS A 56 6.770 -20.577 9.187 1.00 0.01 C ATOM 831 C LYS A 56 7.901 -21.320 9.891 1.00 0.01 C ATOM 832 O LYS A 56 7.738 -21.828 10.981 1.00 0.01 O ATOM 833 CB LYS A 56 5.606 -21.534 8.944 1.00 0.01 C ATOM 834 CG LYS A 56 4.396 -20.741 8.449 1.00 0.01 C ATOM 835 CD LYS A 56 3.224 -21.690 8.206 1.00 0.00 C ATOM 836 CE LYS A 56 2.015 -20.895 7.711 1.00 0.00 C ATOM 837 NZ LYS A 56 2.390 -20.122 6.492 1.00 0.00 N ATOM 0 H LYS A 56 7.260 -20.731 7.111 1.00 0.01 H new ATOM 0 HA LYS A 56 6.439 -19.748 9.812 1.00 0.01 H new ATOM 0 HB2 LYS A 56 5.887 -22.288 8.209 1.00 0.01 H new ATOM 0 HB3 LYS A 56 5.357 -22.063 9.864 1.00 0.01 H new ATOM 0 HG2 LYS A 56 4.119 -19.986 9.184 1.00 0.01 H new ATOM 0 HG3 LYS A 56 4.646 -20.213 7.529 1.00 0.01 H new ATOM 0 HD2 LYS A 56 3.501 -22.446 7.471 1.00 0.00 H new ATOM 0 HD3 LYS A 56 2.973 -22.218 9.126 1.00 0.00 H new ATOM 0 HE2 LYS A 56 1.190 -21.571 7.486 1.00 0.00 H new ATOM 0 HE3 LYS A 56 1.668 -20.217 8.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 1.530 -19.863 5.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 2.899 -19.259 6.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 3.003 -20.705 5.886 1.00 0.00 H new ATOM 851 N SER A 57 9.052 -21.381 9.278 1.00 0.00 N ATOM 852 CA SER A 57 10.206 -22.083 9.911 1.00 0.01 C ATOM 853 C SER A 57 11.052 -21.051 10.684 1.00 0.01 C ATOM 854 O SER A 57 11.657 -20.195 10.070 1.00 0.00 O ATOM 855 CB SER A 57 11.069 -22.701 8.810 1.00 0.01 C ATOM 856 OG SER A 57 10.330 -23.722 8.155 1.00 0.01 O ATOM 0 H SER A 57 9.244 -20.974 8.363 1.00 0.00 H new ATOM 0 HA SER A 57 9.848 -22.858 10.589 1.00 0.01 H new ATOM 0 HB2 SER A 57 11.369 -21.936 8.094 1.00 0.01 H new ATOM 0 HB3 SER A 57 11.983 -23.114 9.237 1.00 0.01 H new ATOM 0 HG SER A 57 10.879 -24.120 7.447 1.00 0.01 H new ATOM 862 N PRO A 58 11.110 -21.092 12.006 1.00 0.00 N ATOM 863 CA PRO A 58 11.918 -20.085 12.747 1.00 0.01 C ATOM 864 C PRO A 58 13.421 -20.273 12.511 1.00 0.00 C ATOM 865 O PRO A 58 14.235 -19.504 12.978 1.00 0.00 O ATOM 866 CB PRO A 58 11.536 -20.352 14.215 1.00 0.01 C ATOM 867 CG PRO A 58 10.764 -21.684 14.280 1.00 0.01 C ATOM 868 CD PRO A 58 10.406 -22.109 12.844 1.00 0.01 C ATOM 0 HA PRO A 58 11.718 -19.061 12.430 1.00 0.01 H new ATOM 0 HB2 PRO A 58 12.430 -20.401 14.837 1.00 0.01 H new ATOM 0 HB3 PRO A 58 10.922 -19.538 14.602 1.00 0.01 H new ATOM 0 HG2 PRO A 58 11.370 -22.451 14.762 1.00 0.01 H new ATOM 0 HG3 PRO A 58 9.860 -21.570 14.878 1.00 0.01 H new ATOM 0 HD2 PRO A 58 10.750 -23.120 12.625 1.00 0.01 H new ATOM 0 HD3 PRO A 58 9.329 -22.095 12.676 1.00 0.01 H new ATOM 876 N SER A 59 13.791 -21.293 11.789 1.00 0.01 N ATOM 877 CA SER A 59 15.237 -21.532 11.525 1.00 0.01 C ATOM 878 C SER A 59 15.684 -20.706 10.317 1.00 0.01 C ATOM 879 O SER A 59 16.835 -20.336 10.202 1.00 0.01 O ATOM 880 CB SER A 59 15.458 -23.014 11.226 1.00 0.01 C ATOM 881 OG SER A 59 14.701 -23.376 10.080 1.00 0.01 O ATOM 0 H SER A 59 13.155 -21.972 11.370 1.00 0.01 H new ATOM 0 HA SER A 59 15.816 -21.240 12.401 1.00 0.01 H new ATOM 0 HB2 SER A 59 16.517 -23.209 11.054 1.00 0.01 H new ATOM 0 HB3 SER A 59 15.157 -23.619 12.081 1.00 0.01 H new ATOM 0 HG SER A 59 14.840 -24.326 9.882 1.00 0.01 H new ATOM 887 N LYS A 60 14.787 -20.417 9.409 1.00 0.00 N ATOM 888 CA LYS A 60 15.174 -19.623 8.206 1.00 0.00 C ATOM 889 C LYS A 60 14.959 -18.129 8.470 1.00 0.01 C ATOM 890 O LYS A 60 15.493 -17.284 7.781 1.00 0.01 O ATOM 891 CB LYS A 60 14.310 -20.043 7.015 1.00 0.01 C ATOM 892 CG LYS A 60 14.694 -21.453 6.567 1.00 0.01 C ATOM 893 CD LYS A 60 13.824 -21.861 5.376 1.00 0.01 C ATOM 894 CE LYS A 60 14.202 -23.271 4.921 1.00 0.01 C ATOM 895 NZ LYS A 60 13.434 -23.620 3.693 1.00 0.01 N ATOM 0 H LYS A 60 13.807 -20.696 9.449 1.00 0.00 H new ATOM 0 HA LYS A 60 16.226 -19.807 7.988 1.00 0.00 H new ATOM 0 HB2 LYS A 60 13.256 -20.014 7.291 1.00 0.01 H new ATOM 0 HB3 LYS A 60 14.444 -19.341 6.192 1.00 0.01 H new ATOM 0 HG2 LYS A 60 15.748 -21.484 6.290 1.00 0.01 H new ATOM 0 HG3 LYS A 60 14.559 -22.157 7.388 1.00 0.01 H new ATOM 0 HD2 LYS A 60 12.771 -21.828 5.655 1.00 0.01 H new ATOM 0 HD3 LYS A 60 13.959 -21.155 4.556 1.00 0.01 H new ATOM 0 HE2 LYS A 60 15.272 -23.325 4.721 1.00 0.01 H new ATOM 0 HE3 LYS A 60 13.989 -23.989 5.713 1.00 0.01 H new ATOM 0 HZ1 LYS A 60 13.691 -24.579 3.384 1.00 0.01 H new ATOM 0 HZ2 LYS A 60 12.415 -23.584 3.899 1.00 0.01 H new ATOM 0 HZ3 LYS A 60 13.659 -22.941 2.938 1.00 0.01 H new ATOM 909 N LEU A 61 14.180 -17.794 9.462 1.00 0.01 N ATOM 910 CA LEU A 61 13.936 -16.351 9.761 1.00 0.01 C ATOM 911 C LEU A 61 15.259 -15.663 10.104 1.00 0.01 C ATOM 912 O LEU A 61 15.502 -14.536 9.723 1.00 0.01 O ATOM 913 CB LEU A 61 12.978 -16.216 10.950 1.00 0.01 C ATOM 914 CG LEU A 61 11.612 -16.843 10.632 1.00 0.00 C ATOM 915 CD1 LEU A 61 10.675 -16.645 11.833 1.00 0.01 C ATOM 916 CD2 LEU A 61 10.991 -16.191 9.381 1.00 0.01 C ATOM 0 H LEU A 61 13.703 -18.453 10.077 1.00 0.01 H new ATOM 0 HA LEU A 61 13.493 -15.881 8.883 1.00 0.01 H new ATOM 0 HB2 LEU A 61 13.409 -16.701 11.826 1.00 0.01 H new ATOM 0 HB3 LEU A 61 12.849 -15.163 11.200 1.00 0.01 H new ATOM 0 HG LEU A 61 11.749 -17.906 10.436 1.00 0.00 H new ATOM 0 HD11 LEU A 61 9.704 -17.088 11.613 1.00 0.01 H new ATOM 0 HD12 LEU A 61 11.103 -17.127 12.712 1.00 0.01 H new ATOM 0 HD13 LEU A 61 10.552 -15.579 12.027 1.00 0.01 H new ATOM 0 HD21 LEU A 61 10.024 -16.650 9.174 1.00 0.01 H new ATOM 0 HD22 LEU A 61 10.856 -15.124 9.556 1.00 0.01 H new ATOM 0 HD23 LEU A 61 11.653 -16.338 8.528 1.00 0.01 H new ATOM 928 N SER A 62 16.107 -16.322 10.841 1.00 0.00 N ATOM 929 CA SER A 62 17.406 -15.699 11.227 1.00 0.01 C ATOM 930 C SER A 62 18.157 -15.157 9.986 1.00 0.01 C ATOM 931 O SER A 62 18.365 -13.964 9.877 1.00 0.01 O ATOM 932 CB SER A 62 18.257 -16.736 11.980 1.00 0.01 C ATOM 933 OG SER A 62 18.087 -16.543 13.378 1.00 0.01 O ATOM 0 H SER A 62 15.958 -17.267 11.194 1.00 0.00 H new ATOM 0 HA SER A 62 17.214 -14.849 11.881 1.00 0.01 H new ATOM 0 HB2 SER A 62 17.957 -17.746 11.700 1.00 0.01 H new ATOM 0 HB3 SER A 62 19.308 -16.629 11.710 1.00 0.01 H new ATOM 0 HG SER A 62 18.624 -17.201 13.867 1.00 0.01 H new ATOM 939 N PRO A 63 18.574 -16.002 9.064 1.00 0.00 N ATOM 940 CA PRO A 63 19.315 -15.527 7.858 1.00 0.00 C ATOM 941 C PRO A 63 18.716 -14.260 7.220 1.00 0.01 C ATOM 942 O PRO A 63 19.401 -13.274 7.032 1.00 0.00 O ATOM 943 CB PRO A 63 19.214 -16.740 6.908 1.00 0.01 C ATOM 944 CG PRO A 63 18.589 -17.916 7.686 1.00 0.01 C ATOM 945 CD PRO A 63 18.358 -17.472 9.141 1.00 0.01 C ATOM 0 HA PRO A 63 20.335 -15.226 8.096 1.00 0.00 H new ATOM 0 HB2 PRO A 63 18.603 -16.492 6.040 1.00 0.01 H new ATOM 0 HB3 PRO A 63 20.201 -17.013 6.536 1.00 0.01 H new ATOM 0 HG2 PRO A 63 17.647 -18.215 7.227 1.00 0.01 H new ATOM 0 HG3 PRO A 63 19.248 -18.784 7.655 1.00 0.01 H new ATOM 0 HD2 PRO A 63 17.354 -17.718 9.486 1.00 0.01 H new ATOM 0 HD3 PRO A 63 19.057 -17.950 9.828 1.00 0.01 H new ATOM 953 N LYS A 64 17.460 -14.282 6.862 1.00 0.01 N ATOM 954 CA LYS A 64 16.857 -13.080 6.215 1.00 0.01 C ATOM 955 C LYS A 64 16.713 -11.947 7.235 1.00 0.00 C ATOM 956 O LYS A 64 16.814 -10.786 6.895 1.00 0.00 O ATOM 957 CB LYS A 64 15.484 -13.434 5.629 1.00 0.00 C ATOM 958 CG LYS A 64 14.478 -13.676 6.755 1.00 0.01 C ATOM 959 CD LYS A 64 13.192 -14.274 6.178 1.00 0.01 C ATOM 960 CE LYS A 64 12.544 -13.288 5.194 1.00 0.01 C ATOM 961 NZ LYS A 64 13.189 -13.418 3.856 1.00 0.00 N ATOM 0 H LYS A 64 16.829 -15.074 6.988 1.00 0.01 H new ATOM 0 HA LYS A 64 17.513 -12.748 5.410 1.00 0.01 H new ATOM 0 HB2 LYS A 64 15.135 -12.626 4.987 1.00 0.00 H new ATOM 0 HB3 LYS A 64 15.565 -14.324 5.006 1.00 0.00 H new ATOM 0 HG2 LYS A 64 14.904 -14.351 7.497 1.00 0.01 H new ATOM 0 HG3 LYS A 64 14.257 -12.739 7.266 1.00 0.01 H new ATOM 0 HD2 LYS A 64 13.414 -15.213 5.670 1.00 0.01 H new ATOM 0 HD3 LYS A 64 12.496 -14.505 6.984 1.00 0.01 H new ATOM 0 HE2 LYS A 64 11.475 -13.488 5.114 1.00 0.01 H new ATOM 0 HE3 LYS A 64 12.651 -12.268 5.563 1.00 0.01 H new ATOM 0 HZ1 LYS A 64 13.755 -12.568 3.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 13.806 -14.255 3.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 12.456 -13.522 3.126 1.00 0.00 H new ATOM 975 N ALA A 65 16.482 -12.259 8.481 1.00 0.00 N ATOM 976 CA ALA A 65 16.340 -11.171 9.486 1.00 0.01 C ATOM 977 C ALA A 65 17.626 -10.340 9.504 1.00 0.01 C ATOM 978 O ALA A 65 17.590 -9.125 9.493 1.00 0.01 O ATOM 979 CB ALA A 65 16.106 -11.778 10.870 1.00 0.01 C ATOM 0 H ALA A 65 16.387 -13.208 8.842 1.00 0.00 H new ATOM 0 HA ALA A 65 15.493 -10.537 9.225 1.00 0.01 H new ATOM 0 HB1 ALA A 65 16.002 -10.980 11.605 1.00 0.01 H new ATOM 0 HB2 ALA A 65 15.196 -12.378 10.855 1.00 0.01 H new ATOM 0 HB3 ALA A 65 16.953 -12.410 11.138 1.00 0.01 H new ATOM 985 N LYS A 66 18.760 -10.987 9.528 1.00 0.01 N ATOM 986 CA LYS A 66 20.046 -10.237 9.546 1.00 0.00 C ATOM 987 C LYS A 66 20.165 -9.379 8.285 1.00 0.01 C ATOM 988 O LYS A 66 20.531 -8.225 8.343 1.00 0.01 O ATOM 989 CB LYS A 66 21.214 -11.223 9.598 1.00 0.01 C ATOM 990 CG LYS A 66 21.207 -11.952 10.943 1.00 0.01 C ATOM 991 CD LYS A 66 22.375 -12.939 10.994 1.00 0.01 C ATOM 992 CE LYS A 66 22.368 -13.669 12.338 1.00 0.00 C ATOM 993 NZ LYS A 66 23.544 -14.582 12.413 1.00 0.00 N ATOM 0 H LYS A 66 18.850 -12.003 9.536 1.00 0.01 H new ATOM 0 HA LYS A 66 20.070 -9.593 10.425 1.00 0.00 H new ATOM 0 HB2 LYS A 66 21.134 -11.942 8.782 1.00 0.01 H new ATOM 0 HB3 LYS A 66 22.157 -10.693 9.464 1.00 0.01 H new ATOM 0 HG2 LYS A 66 21.288 -11.234 11.759 1.00 0.01 H new ATOM 0 HG3 LYS A 66 20.264 -12.481 11.077 1.00 0.01 H new ATOM 0 HD2 LYS A 66 22.294 -13.657 10.178 1.00 0.01 H new ATOM 0 HD3 LYS A 66 23.318 -12.410 10.861 1.00 0.01 H new ATOM 0 HE2 LYS A 66 22.400 -12.949 13.155 1.00 0.00 H new ATOM 0 HE3 LYS A 66 21.445 -14.237 12.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 23.540 -15.079 13.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 23.494 -15.277 11.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 24.420 -14.028 12.324 1.00 0.00 H new ATOM 1007 N LYS A 67 19.856 -9.933 7.143 1.00 0.00 N ATOM 1008 CA LYS A 67 19.954 -9.141 5.883 1.00 0.00 C ATOM 1009 C LYS A 67 18.981 -7.967 5.950 1.00 0.01 C ATOM 1010 O LYS A 67 19.324 -6.843 5.645 1.00 0.01 O ATOM 1011 CB LYS A 67 19.591 -10.032 4.692 1.00 0.00 C ATOM 1012 CG LYS A 67 20.694 -11.069 4.473 1.00 0.01 C ATOM 1013 CD LYS A 67 20.332 -11.956 3.281 1.00 0.00 C ATOM 1014 CE LYS A 67 21.435 -12.993 3.065 1.00 0.00 C ATOM 1015 NZ LYS A 67 21.016 -13.954 2.006 1.00 0.01 N ATOM 0 H LYS A 67 19.541 -10.896 7.028 1.00 0.00 H new ATOM 0 HA LYS A 67 20.972 -8.769 5.763 1.00 0.00 H new ATOM 0 HB2 LYS A 67 18.639 -10.531 4.875 1.00 0.00 H new ATOM 0 HB3 LYS A 67 19.465 -9.425 3.796 1.00 0.00 H new ATOM 0 HG2 LYS A 67 21.646 -10.570 4.292 1.00 0.01 H new ATOM 0 HG3 LYS A 67 20.818 -11.678 5.368 1.00 0.01 H new ATOM 0 HD2 LYS A 67 19.379 -12.454 3.461 1.00 0.00 H new ATOM 0 HD3 LYS A 67 20.209 -11.348 2.385 1.00 0.00 H new ATOM 0 HE2 LYS A 67 22.362 -12.498 2.775 1.00 0.00 H new ATOM 0 HE3 LYS A 67 21.635 -13.525 3.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 21.767 -14.659 1.860 1.00 0.01 H new ATOM 0 HZ2 LYS A 67 20.142 -14.435 2.300 1.00 0.01 H new ATOM 0 HZ3 LYS A 67 20.846 -13.440 1.118 1.00 0.01 H new ATOM 1029 N ILE A 68 17.769 -8.221 6.352 1.00 0.01 N ATOM 1030 CA ILE A 68 16.770 -7.123 6.445 1.00 0.00 C ATOM 1031 C ILE A 68 17.159 -6.189 7.584 1.00 0.01 C ATOM 1032 O ILE A 68 17.177 -4.983 7.434 1.00 0.00 O ATOM 1033 CB ILE A 68 15.392 -7.721 6.715 1.00 0.01 C ATOM 1034 CG1 ILE A 68 15.018 -8.640 5.555 1.00 0.00 C ATOM 1035 CG2 ILE A 68 14.351 -6.604 6.837 1.00 0.00 C ATOM 1036 CD1 ILE A 68 13.764 -9.438 5.915 1.00 0.00 C ATOM 0 H ILE A 68 17.426 -9.143 6.621 1.00 0.01 H new ATOM 0 HA ILE A 68 16.744 -6.563 5.510 1.00 0.00 H new ATOM 0 HB ILE A 68 15.416 -8.285 7.647 1.00 0.01 H new ATOM 0 HG12 ILE A 68 14.841 -8.052 4.655 1.00 0.00 H new ATOM 0 HG13 ILE A 68 15.842 -9.319 5.335 1.00 0.00 H new ATOM 0 HG21 ILE A 68 13.371 -7.040 7.030 1.00 0.00 H new ATOM 0 HG22 ILE A 68 14.622 -5.942 7.660 1.00 0.00 H new ATOM 0 HG23 ILE A 68 14.319 -6.034 5.909 1.00 0.00 H new ATOM 0 HD11 ILE A 68 13.499 -10.093 5.085 1.00 0.00 H new ATOM 0 HD12 ILE A 68 13.957 -10.038 6.804 1.00 0.00 H new ATOM 0 HD13 ILE A 68 12.940 -8.752 6.113 1.00 0.00 H new ATOM 1048 N TYR A 69 17.470 -6.737 8.723 1.00 0.00 N ATOM 1049 CA TYR A 69 17.861 -5.883 9.872 1.00 0.01 C ATOM 1050 C TYR A 69 19.107 -5.081 9.507 1.00 0.00 C ATOM 1051 O TYR A 69 19.192 -3.891 9.729 1.00 0.01 O ATOM 1052 CB TYR A 69 18.174 -6.764 11.077 1.00 0.01 C ATOM 1053 CG TYR A 69 18.570 -5.895 12.245 1.00 0.01 C ATOM 1054 CD1 TYR A 69 19.909 -5.531 12.428 1.00 0.01 C ATOM 1055 CD2 TYR A 69 17.598 -5.461 13.150 1.00 0.00 C ATOM 1056 CE1 TYR A 69 20.275 -4.731 13.517 1.00 0.01 C ATOM 1057 CE2 TYR A 69 17.961 -4.662 14.237 1.00 0.01 C ATOM 1058 CZ TYR A 69 19.299 -4.296 14.421 1.00 0.01 C ATOM 1059 OH TYR A 69 19.659 -3.508 15.496 1.00 0.01 O ATOM 0 H TYR A 69 17.470 -7.740 8.907 1.00 0.00 H new ATOM 0 HA TYR A 69 17.042 -5.205 10.113 1.00 0.01 H new ATOM 0 HB2 TYR A 69 17.303 -7.366 11.337 1.00 0.01 H new ATOM 0 HB3 TYR A 69 18.980 -7.457 10.835 1.00 0.01 H new ATOM 0 HD1 TYR A 69 20.660 -5.867 11.729 1.00 0.01 H new ATOM 0 HD2 TYR A 69 16.565 -5.743 13.009 1.00 0.00 H new ATOM 0 HE1 TYR A 69 21.308 -4.450 13.659 1.00 0.01 H new ATOM 0 HE2 TYR A 69 17.209 -4.327 14.936 1.00 0.01 H new ATOM 0 HH TYR A 69 18.913 -2.919 15.734 1.00 0.01 H new ATOM 1069 N ASN A 70 20.082 -5.745 8.956 1.00 0.01 N ATOM 1070 CA ASN A 70 21.346 -5.063 8.576 1.00 0.00 C ATOM 1071 C ASN A 70 21.061 -3.971 7.545 1.00 0.00 C ATOM 1072 O ASN A 70 21.652 -2.916 7.561 1.00 0.01 O ATOM 1073 CB ASN A 70 22.308 -6.085 7.970 1.00 0.00 C ATOM 1074 CG ASN A 70 22.797 -7.031 9.070 1.00 0.01 C ATOM 1075 OD1 ASN A 70 22.752 -6.697 10.237 1.00 0.01 O ATOM 1076 ND2 ASN A 70 23.260 -8.208 8.746 1.00 0.01 N ATOM 0 H ASN A 70 20.056 -6.744 8.751 1.00 0.01 H new ATOM 0 HA ASN A 70 21.790 -4.613 9.464 1.00 0.00 H new ATOM 0 HB2 ASN A 70 21.808 -6.650 7.183 1.00 0.00 H new ATOM 0 HB3 ASN A 70 23.154 -5.576 7.509 1.00 0.00 H new ATOM 0 HD21 ASN A 70 23.584 -8.846 9.473 1.00 0.01 H new ATOM 0 HD22 ASN A 70 23.298 -8.489 7.766 1.00 0.01 H new ATOM 1083 N GLU A 71 20.191 -4.236 6.619 1.00 0.00 N ATOM 1084 CA GLU A 71 19.895 -3.228 5.563 1.00 0.00 C ATOM 1085 C GLU A 71 18.922 -2.141 6.058 1.00 0.00 C ATOM 1086 O GLU A 71 19.252 -0.971 6.095 1.00 0.00 O ATOM 1087 CB GLU A 71 19.279 -3.947 4.359 1.00 0.00 C ATOM 1088 CG GLU A 71 18.998 -2.940 3.238 1.00 0.00 C ATOM 1089 CD GLU A 71 18.477 -3.679 2.004 1.00 0.00 C ATOM 1090 OE1 GLU A 71 18.397 -4.895 2.057 1.00 0.00 O ATOM 1091 OE2 GLU A 71 18.165 -3.017 1.029 1.00 0.00 O ATOM 0 H GLU A 71 19.668 -5.109 6.544 1.00 0.00 H new ATOM 0 HA GLU A 71 20.828 -2.736 5.290 1.00 0.00 H new ATOM 0 HB2 GLU A 71 19.957 -4.722 4.002 1.00 0.00 H new ATOM 0 HB3 GLU A 71 18.354 -4.443 4.654 1.00 0.00 H new ATOM 0 HG2 GLU A 71 18.265 -2.205 3.571 1.00 0.00 H new ATOM 0 HG3 GLU A 71 19.908 -2.393 2.990 1.00 0.00 H new ATOM 1098 N PHE A 72 17.706 -2.509 6.361 1.00 0.00 N ATOM 1099 CA PHE A 72 16.679 -1.494 6.767 1.00 0.00 C ATOM 1100 C PHE A 72 16.796 -1.029 8.226 1.00 0.00 C ATOM 1101 O PHE A 72 16.454 0.094 8.536 1.00 0.00 O ATOM 1102 CB PHE A 72 15.293 -2.106 6.570 1.00 0.00 C ATOM 1103 CG PHE A 72 15.056 -2.353 5.101 1.00 0.00 C ATOM 1104 CD1 PHE A 72 15.435 -3.573 4.528 1.00 0.00 C ATOM 1105 CD2 PHE A 72 14.465 -1.361 4.308 1.00 0.00 C ATOM 1106 CE1 PHE A 72 15.220 -3.802 3.165 1.00 0.00 C ATOM 1107 CE2 PHE A 72 14.251 -1.590 2.945 1.00 0.00 C ATOM 1108 CZ PHE A 72 14.630 -2.810 2.373 1.00 0.00 C ATOM 0 H PHE A 72 17.374 -3.473 6.346 1.00 0.00 H new ATOM 0 HA PHE A 72 16.845 -0.616 6.143 1.00 0.00 H new ATOM 0 HB2 PHE A 72 15.215 -3.041 7.124 1.00 0.00 H new ATOM 0 HB3 PHE A 72 14.529 -1.437 6.965 1.00 0.00 H new ATOM 0 HD1 PHE A 72 15.893 -4.337 5.138 1.00 0.00 H new ATOM 0 HD2 PHE A 72 14.175 -0.419 4.749 1.00 0.00 H new ATOM 0 HE1 PHE A 72 15.509 -4.744 2.724 1.00 0.00 H new ATOM 0 HE2 PHE A 72 13.794 -0.826 2.334 1.00 0.00 H new ATOM 0 HZ PHE A 72 14.467 -2.986 1.320 1.00 0.00 H new ATOM 1118 N ILE A 73 17.208 -1.872 9.140 1.00 0.00 N ATOM 1119 CA ILE A 73 17.252 -1.439 10.581 1.00 0.00 C ATOM 1120 C ILE A 73 18.648 -0.971 11.007 1.00 0.00 C ATOM 1121 O ILE A 73 18.808 -0.414 12.075 1.00 0.01 O ATOM 1122 CB ILE A 73 16.842 -2.615 11.464 1.00 0.00 C ATOM 1123 CG1 ILE A 73 15.469 -3.148 11.008 1.00 0.00 C ATOM 1124 CG2 ILE A 73 16.781 -2.173 12.934 1.00 0.00 C ATOM 1125 CD1 ILE A 73 14.386 -2.059 11.107 1.00 0.00 C ATOM 0 H ILE A 73 17.513 -2.829 8.960 1.00 0.00 H new ATOM 0 HA ILE A 73 16.567 -0.598 10.694 1.00 0.00 H new ATOM 0 HB ILE A 73 17.581 -3.411 11.372 1.00 0.00 H new ATOM 0 HG12 ILE A 73 15.538 -3.503 9.980 1.00 0.00 H new ATOM 0 HG13 ILE A 73 15.186 -4.003 11.622 1.00 0.00 H new ATOM 0 HG21 ILE A 73 16.488 -3.018 13.556 1.00 0.00 H new ATOM 0 HG22 ILE A 73 17.762 -1.815 13.247 1.00 0.00 H new ATOM 0 HG23 ILE A 73 16.050 -1.372 13.043 1.00 0.00 H new ATOM 0 HD11 ILE A 73 13.430 -2.466 10.778 1.00 0.00 H new ATOM 0 HD12 ILE A 73 14.302 -1.723 12.140 1.00 0.00 H new ATOM 0 HD13 ILE A 73 14.659 -1.216 10.472 1.00 0.00 H new ATOM 1137 N SER A 74 19.660 -1.176 10.214 1.00 0.01 N ATOM 1138 CA SER A 74 21.012 -0.714 10.647 1.00 0.00 C ATOM 1139 C SER A 74 20.972 0.797 10.872 1.00 0.00 C ATOM 1140 O SER A 74 20.531 1.546 10.026 1.00 0.01 O ATOM 1141 CB SER A 74 22.052 -1.038 9.574 1.00 0.00 C ATOM 1142 OG SER A 74 22.431 -2.401 9.693 1.00 0.01 O ATOM 0 H SER A 74 19.616 -1.633 9.303 1.00 0.01 H new ATOM 0 HA SER A 74 21.287 -1.225 11.570 1.00 0.00 H new ATOM 0 HB2 SER A 74 21.642 -0.847 8.582 1.00 0.00 H new ATOM 0 HB3 SER A 74 22.924 -0.394 9.688 1.00 0.00 H new ATOM 0 HG SER A 74 22.654 -2.757 8.808 1.00 0.01 H new ATOM 1148 N VAL A 75 21.445 1.251 11.998 1.00 0.01 N ATOM 1149 CA VAL A 75 21.443 2.713 12.261 1.00 0.01 C ATOM 1150 C VAL A 75 22.274 3.405 11.180 1.00 0.00 C ATOM 1151 O VAL A 75 22.159 4.594 10.953 1.00 0.00 O ATOM 1152 CB VAL A 75 22.029 2.987 13.651 1.00 0.00 C ATOM 1153 CG1 VAL A 75 21.128 2.340 14.709 1.00 0.01 C ATOM 1154 CG2 VAL A 75 23.446 2.398 13.750 1.00 0.00 C ATOM 0 H VAL A 75 21.832 0.674 12.745 1.00 0.01 H new ATOM 0 HA VAL A 75 20.425 3.101 12.236 1.00 0.01 H new ATOM 0 HB VAL A 75 22.082 4.063 13.817 1.00 0.00 H new ATOM 0 HG11 VAL A 75 21.538 2.530 15.701 1.00 0.01 H new ATOM 0 HG12 VAL A 75 20.126 2.764 14.643 1.00 0.01 H new ATOM 0 HG13 VAL A 75 21.079 1.265 14.537 1.00 0.01 H new ATOM 0 HG21 VAL A 75 23.855 2.597 14.741 1.00 0.00 H new ATOM 0 HG22 VAL A 75 23.405 1.321 13.584 1.00 0.00 H new ATOM 0 HG23 VAL A 75 24.084 2.857 12.995 1.00 0.00 H new ATOM 1164 N GLN A 76 23.099 2.655 10.492 1.00 0.01 N ATOM 1165 CA GLN A 76 23.932 3.237 9.396 1.00 0.01 C ATOM 1166 C GLN A 76 23.251 2.953 8.058 1.00 0.01 C ATOM 1167 O GLN A 76 23.753 3.300 7.007 1.00 0.01 O ATOM 1168 CB GLN A 76 25.312 2.583 9.400 1.00 0.00 C ATOM 1169 CG GLN A 76 26.102 3.048 10.624 1.00 0.01 C ATOM 1170 CD GLN A 76 27.466 2.359 10.640 1.00 0.01 C ATOM 1171 OE1 GLN A 76 28.301 2.618 9.797 1.00 0.01 O ATOM 1172 NE2 GLN A 76 27.729 1.484 11.572 1.00 0.01 N ATOM 0 H GLN A 76 23.232 1.655 10.645 1.00 0.01 H new ATOM 0 HA GLN A 76 24.038 4.311 9.546 1.00 0.01 H new ATOM 0 HB2 GLN A 76 25.210 1.498 9.412 1.00 0.00 H new ATOM 0 HB3 GLN A 76 25.850 2.842 8.488 1.00 0.00 H new ATOM 0 HG2 GLN A 76 26.229 4.130 10.599 1.00 0.01 H new ATOM 0 HG3 GLN A 76 25.553 2.813 11.536 1.00 0.01 H new ATOM 0 HE21 GLN A 76 27.028 1.267 12.280 1.00 0.01 H new ATOM 0 HE22 GLN A 76 28.636 1.018 11.592 1.00 0.01 H new ATOM 1181 N ALA A 77 22.109 2.320 8.090 1.00 0.01 N ATOM 1182 CA ALA A 77 21.387 2.007 6.822 1.00 0.00 C ATOM 1183 C ALA A 77 21.335 3.259 5.945 1.00 0.01 C ATOM 1184 O ALA A 77 21.110 4.354 6.418 1.00 0.00 O ATOM 1185 CB ALA A 77 19.960 1.551 7.146 1.00 0.00 C ATOM 0 H ALA A 77 21.644 2.005 8.941 1.00 0.01 H new ATOM 0 HA ALA A 77 21.911 1.212 6.291 1.00 0.00 H new ATOM 0 HB1 ALA A 77 19.432 1.322 6.220 1.00 0.00 H new ATOM 0 HB2 ALA A 77 19.996 0.660 7.773 1.00 0.00 H new ATOM 0 HB3 ALA A 77 19.435 2.346 7.676 1.00 0.00 H new ATOM 1191 N THR A 78 21.549 3.104 4.668 1.00 0.01 N ATOM 1192 CA THR A 78 21.520 4.282 3.758 1.00 0.01 C ATOM 1193 C THR A 78 20.082 4.793 3.627 1.00 0.01 C ATOM 1194 O THR A 78 19.850 5.924 3.251 1.00 0.00 O ATOM 1195 CB THR A 78 22.050 3.871 2.384 1.00 0.00 C ATOM 1196 OG1 THR A 78 21.145 2.956 1.783 1.00 0.01 O ATOM 1197 CG2 THR A 78 23.421 3.210 2.542 1.00 0.01 C ATOM 0 H THR A 78 21.743 2.211 4.215 1.00 0.01 H new ATOM 0 HA THR A 78 22.146 5.076 4.166 1.00 0.01 H new ATOM 0 HB THR A 78 22.146 4.753 1.751 1.00 0.00 H new ATOM 0 HG1 THR A 78 21.483 2.693 0.901 1.00 0.01 H new ATOM 0 HG21 THR A 78 23.799 2.917 1.562 1.00 0.01 H new ATOM 0 HG22 THR A 78 24.114 3.915 3.002 1.00 0.01 H new ATOM 0 HG23 THR A 78 23.328 2.327 3.174 1.00 0.01 H new ATOM 1205 N LYS A 79 19.118 3.967 3.944 1.00 0.00 N ATOM 1206 CA LYS A 79 17.686 4.387 3.853 1.00 0.00 C ATOM 1207 C LYS A 79 16.960 3.915 5.112 1.00 0.00 C ATOM 1208 O LYS A 79 16.386 2.847 5.157 1.00 0.00 O ATOM 1209 CB LYS A 79 17.042 3.770 2.605 1.00 0.00 C ATOM 1210 CG LYS A 79 17.502 2.319 2.435 1.00 0.00 C ATOM 1211 CD LYS A 79 16.847 1.727 1.185 1.00 0.01 C ATOM 1212 CE LYS A 79 17.287 0.274 1.018 1.00 0.00 C ATOM 1213 NZ LYS A 79 16.637 -0.563 2.065 1.00 0.00 N ATOM 0 H LYS A 79 19.263 3.010 4.265 1.00 0.00 H new ATOM 0 HA LYS A 79 17.617 5.472 3.775 1.00 0.00 H new ATOM 0 HB2 LYS A 79 15.956 3.807 2.691 1.00 0.00 H new ATOM 0 HB3 LYS A 79 17.312 4.350 1.723 1.00 0.00 H new ATOM 0 HG2 LYS A 79 18.588 2.277 2.346 1.00 0.00 H new ATOM 0 HG3 LYS A 79 17.231 1.734 3.314 1.00 0.00 H new ATOM 0 HD2 LYS A 79 15.762 1.782 1.270 1.00 0.01 H new ATOM 0 HD3 LYS A 79 17.128 2.306 0.305 1.00 0.01 H new ATOM 0 HE2 LYS A 79 17.015 -0.088 0.027 1.00 0.00 H new ATOM 0 HE3 LYS A 79 18.371 0.199 1.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 16.753 -1.569 1.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 17.080 -0.372 2.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 15.624 -0.334 2.113 1.00 0.00 H new ATOM 1227 N GLU A 80 16.993 4.709 6.140 1.00 0.00 N ATOM 1228 CA GLU A 80 16.323 4.316 7.408 1.00 0.00 C ATOM 1229 C GLU A 80 14.815 4.244 7.208 1.00 0.00 C ATOM 1230 O GLU A 80 14.236 4.988 6.443 1.00 0.00 O ATOM 1231 CB GLU A 80 16.640 5.344 8.498 1.00 0.00 C ATOM 1232 CG GLU A 80 18.046 5.095 9.039 1.00 0.00 C ATOM 1233 CD GLU A 80 18.043 3.842 9.916 1.00 0.01 C ATOM 1234 OE1 GLU A 80 16.965 3.352 10.212 1.00 0.00 O ATOM 1235 OE2 GLU A 80 19.117 3.397 10.281 1.00 0.01 O ATOM 0 H GLU A 80 17.457 5.617 6.158 1.00 0.00 H new ATOM 0 HA GLU A 80 16.690 3.335 7.709 1.00 0.00 H new ATOM 0 HB2 GLU A 80 16.568 6.353 8.093 1.00 0.00 H new ATOM 0 HB3 GLU A 80 15.910 5.272 9.304 1.00 0.00 H new ATOM 0 HG2 GLU A 80 18.748 4.972 8.214 1.00 0.00 H new ATOM 0 HG3 GLU A 80 18.382 5.956 9.618 1.00 0.00 H new ATOM 1242 N VAL A 81 14.180 3.355 7.918 1.00 0.00 N ATOM 1243 CA VAL A 81 12.699 3.209 7.820 1.00 0.00 C ATOM 1244 C VAL A 81 12.079 3.849 9.057 1.00 0.00 C ATOM 1245 O VAL A 81 12.618 3.769 10.143 1.00 0.00 O ATOM 1246 CB VAL A 81 12.326 1.724 7.773 1.00 0.00 C ATOM 1247 CG1 VAL A 81 12.609 1.166 6.377 1.00 0.00 C ATOM 1248 CG2 VAL A 81 13.161 0.959 8.803 1.00 0.00 C ATOM 0 H VAL A 81 14.630 2.714 8.572 1.00 0.00 H new ATOM 0 HA VAL A 81 12.332 3.692 6.914 1.00 0.00 H new ATOM 0 HB VAL A 81 11.266 1.610 8.000 1.00 0.00 H new ATOM 0 HG11 VAL A 81 12.343 0.109 6.347 1.00 0.00 H new ATOM 0 HG12 VAL A 81 12.018 1.711 5.641 1.00 0.00 H new ATOM 0 HG13 VAL A 81 13.668 1.280 6.148 1.00 0.00 H new ATOM 0 HG21 VAL A 81 12.898 -0.098 8.772 1.00 0.00 H new ATOM 0 HG22 VAL A 81 14.220 1.076 8.572 1.00 0.00 H new ATOM 0 HG23 VAL A 81 12.961 1.354 9.799 1.00 0.00 H new ATOM 1258 N ASN A 82 10.962 4.500 8.910 1.00 0.00 N ATOM 1259 CA ASN A 82 10.336 5.155 10.087 1.00 0.00 C ATOM 1260 C ASN A 82 9.723 4.096 11.004 1.00 0.00 C ATOM 1261 O ASN A 82 8.720 3.485 10.694 1.00 0.00 O ATOM 1262 CB ASN A 82 9.257 6.128 9.605 1.00 0.00 C ATOM 1263 CG ASN A 82 8.505 5.506 8.430 1.00 0.00 C ATOM 1264 OD1 ASN A 82 8.187 4.333 8.448 1.00 0.00 O ATOM 1265 ND2 ASN A 82 8.207 6.245 7.398 1.00 0.00 N ATOM 0 H ASN A 82 10.458 4.606 8.030 1.00 0.00 H new ATOM 0 HA ASN A 82 11.092 5.705 10.648 1.00 0.00 H new ATOM 0 HB2 ASN A 82 8.565 6.353 10.417 1.00 0.00 H new ATOM 0 HB3 ASN A 82 9.711 7.072 9.303 1.00 0.00 H new ATOM 0 HD21 ASN A 82 7.708 5.839 6.607 1.00 0.00 H new ATOM 0 HD22 ASN A 82 8.473 7.229 7.382 1.00 0.00 H new ATOM 1272 N LEU A 83 10.327 3.888 12.143 1.00 0.00 N ATOM 1273 CA LEU A 83 9.814 2.886 13.122 1.00 0.00 C ATOM 1274 C LEU A 83 10.033 3.439 14.531 1.00 0.00 C ATOM 1275 O LEU A 83 10.815 4.348 14.732 1.00 0.00 O ATOM 1276 CB LEU A 83 10.571 1.558 12.967 1.00 0.01 C ATOM 1277 CG LEU A 83 10.192 0.870 11.643 1.00 0.00 C ATOM 1278 CD1 LEU A 83 11.139 -0.311 11.402 1.00 0.00 C ATOM 1279 CD2 LEU A 83 8.740 0.354 11.703 1.00 0.00 C ATOM 0 H LEU A 83 11.170 4.379 12.442 1.00 0.00 H new ATOM 0 HA LEU A 83 8.754 2.703 12.944 1.00 0.00 H new ATOM 0 HB2 LEU A 83 11.645 1.740 12.994 1.00 0.01 H new ATOM 0 HB3 LEU A 83 10.338 0.900 13.805 1.00 0.01 H new ATOM 0 HG LEU A 83 10.277 1.591 10.830 1.00 0.00 H new ATOM 0 HD11 LEU A 83 10.876 -0.803 10.466 1.00 0.00 H new ATOM 0 HD12 LEU A 83 12.165 0.051 11.346 1.00 0.00 H new ATOM 0 HD13 LEU A 83 11.050 -1.022 12.223 1.00 0.00 H new ATOM 0 HD21 LEU A 83 8.487 -0.130 10.760 1.00 0.00 H new ATOM 0 HD22 LEU A 83 8.642 -0.364 12.517 1.00 0.00 H new ATOM 0 HD23 LEU A 83 8.063 1.191 11.875 1.00 0.00 H new ATOM 1291 N ASP A 84 9.345 2.916 15.502 1.00 0.01 N ATOM 1292 CA ASP A 84 9.511 3.431 16.887 1.00 0.00 C ATOM 1293 C ASP A 84 10.887 3.035 17.422 1.00 0.00 C ATOM 1294 O ASP A 84 11.523 2.124 16.927 1.00 0.00 O ATOM 1295 CB ASP A 84 8.429 2.838 17.786 1.00 0.00 C ATOM 1296 CG ASP A 84 7.066 3.407 17.387 1.00 0.01 C ATOM 1297 OD1 ASP A 84 7.044 4.469 16.785 1.00 0.00 O ATOM 1298 OD2 ASP A 84 6.070 2.772 17.690 1.00 0.01 O ATOM 0 H ASP A 84 8.675 2.154 15.398 1.00 0.01 H new ATOM 0 HA ASP A 84 9.424 4.517 16.879 1.00 0.00 H new ATOM 0 HB2 ASP A 84 8.422 1.752 17.696 1.00 0.00 H new ATOM 0 HB3 ASP A 84 8.641 3.070 18.830 1.00 0.00 H new ATOM 1303 N SER A 85 11.352 3.722 18.428 1.00 0.00 N ATOM 1304 CA SER A 85 12.688 3.406 19.007 1.00 0.01 C ATOM 1305 C SER A 85 12.689 1.980 19.555 1.00 0.01 C ATOM 1306 O SER A 85 13.669 1.270 19.459 1.00 0.00 O ATOM 1307 CB SER A 85 12.991 4.384 20.143 1.00 0.01 C ATOM 1308 OG SER A 85 13.052 5.705 19.624 1.00 0.00 O ATOM 0 H SER A 85 10.860 4.494 18.877 1.00 0.00 H new ATOM 0 HA SER A 85 13.448 3.495 18.231 1.00 0.01 H new ATOM 0 HB2 SER A 85 12.219 4.318 20.910 1.00 0.01 H new ATOM 0 HB3 SER A 85 13.937 4.124 20.619 1.00 0.01 H new ATOM 0 HG SER A 85 13.244 6.333 20.351 1.00 0.00 H new ATOM 1314 N CYS A 86 11.604 1.558 20.140 1.00 0.01 N ATOM 1315 CA CYS A 86 11.553 0.184 20.707 1.00 0.01 C ATOM 1316 C CYS A 86 11.314 -0.832 19.589 1.00 0.00 C ATOM 1317 O CYS A 86 11.810 -1.941 19.636 1.00 0.01 O ATOM 1318 CB CYS A 86 10.411 0.099 21.718 1.00 0.01 C ATOM 1319 SG CYS A 86 8.840 0.431 20.883 1.00 0.01 S ATOM 0 H CYS A 86 10.750 2.106 20.250 1.00 0.01 H new ATOM 0 HA CYS A 86 12.501 -0.038 21.198 1.00 0.01 H new ATOM 0 HB2 CYS A 86 10.390 -0.890 22.176 1.00 0.01 H new ATOM 0 HB3 CYS A 86 10.568 0.819 22.521 1.00 0.01 H new ATOM 0 HG CYS A 86 7.868 0.357 21.742 1.00 0.01 H new ATOM 1325 N THR A 87 10.562 -0.473 18.588 1.00 0.00 N ATOM 1326 CA THR A 87 10.300 -1.438 17.483 1.00 0.00 C ATOM 1327 C THR A 87 11.619 -1.849 16.819 1.00 0.00 C ATOM 1328 O THR A 87 11.883 -3.020 16.634 1.00 0.01 O ATOM 1329 CB THR A 87 9.374 -0.797 16.444 1.00 0.00 C ATOM 1330 OG1 THR A 87 8.142 -0.453 17.062 1.00 0.00 O ATOM 1331 CG2 THR A 87 9.119 -1.783 15.302 1.00 0.00 C ATOM 0 H THR A 87 10.119 0.440 18.486 1.00 0.00 H new ATOM 0 HA THR A 87 9.819 -2.326 17.894 1.00 0.00 H new ATOM 0 HB THR A 87 9.844 0.101 16.043 1.00 0.00 H new ATOM 0 HG1 THR A 87 7.409 -0.928 16.618 1.00 0.00 H new ATOM 0 HG21 THR A 87 8.460 -1.324 14.565 1.00 0.00 H new ATOM 0 HG22 THR A 87 10.066 -2.045 14.829 1.00 0.00 H new ATOM 0 HG23 THR A 87 8.649 -2.684 15.697 1.00 0.00 H new ATOM 1339 N ARG A 88 12.456 -0.910 16.458 1.00 0.01 N ATOM 1340 CA ARG A 88 13.746 -1.294 15.813 1.00 0.00 C ATOM 1341 C ARG A 88 14.569 -2.117 16.801 1.00 0.00 C ATOM 1342 O ARG A 88 15.059 -3.185 16.486 1.00 0.01 O ATOM 1343 CB ARG A 88 14.533 -0.043 15.419 1.00 0.00 C ATOM 1344 CG ARG A 88 13.733 0.759 14.393 1.00 0.00 C ATOM 1345 CD ARG A 88 14.626 1.838 13.772 1.00 0.00 C ATOM 1346 NE ARG A 88 15.327 2.615 14.850 1.00 0.01 N ATOM 1347 CZ ARG A 88 14.671 3.246 15.787 1.00 0.00 C ATOM 1348 NH1 ARG A 88 13.372 3.355 15.732 1.00 0.00 N ATOM 1349 NH2 ARG A 88 15.328 3.816 16.761 1.00 0.01 N ATOM 0 H ARG A 88 12.305 0.091 16.580 1.00 0.01 H new ATOM 0 HA ARG A 88 13.540 -1.879 14.917 1.00 0.00 H new ATOM 0 HB2 ARG A 88 14.731 0.568 16.300 1.00 0.00 H new ATOM 0 HB3 ARG A 88 15.500 -0.325 15.003 1.00 0.00 H new ATOM 0 HG2 ARG A 88 13.352 0.096 13.616 1.00 0.00 H new ATOM 0 HG3 ARG A 88 12.868 1.219 14.871 1.00 0.00 H new ATOM 0 HD2 ARG A 88 15.359 1.377 13.110 1.00 0.00 H new ATOM 0 HD3 ARG A 88 14.024 2.511 13.161 1.00 0.00 H new ATOM 0 HE ARG A 88 16.346 2.651 14.850 1.00 0.01 H new ATOM 0 HH11 ARG A 88 12.858 2.945 14.952 1.00 0.00 H new ATOM 0 HH12 ARG A 88 12.870 3.850 16.469 1.00 0.00 H new ATOM 0 HH21 ARG A 88 16.346 3.767 16.787 1.00 0.01 H new ATOM 0 HH22 ARG A 88 14.823 4.311 17.496 1.00 0.01 H new ATOM 1363 N GLU A 89 14.711 -1.627 17.998 1.00 0.01 N ATOM 1364 CA GLU A 89 15.487 -2.369 19.025 1.00 0.01 C ATOM 1365 C GLU A 89 14.831 -3.729 19.257 1.00 0.01 C ATOM 1366 O GLU A 89 15.492 -4.734 19.426 1.00 0.00 O ATOM 1367 CB GLU A 89 15.493 -1.575 20.332 1.00 0.01 C ATOM 1368 CG GLU A 89 16.286 -0.281 20.138 1.00 0.01 C ATOM 1369 CD GLU A 89 16.296 0.515 21.445 1.00 0.01 C ATOM 1370 OE1 GLU A 89 15.565 0.143 22.348 1.00 0.01 O ATOM 1371 OE2 GLU A 89 17.035 1.483 21.520 1.00 0.01 O ATOM 0 H GLU A 89 14.320 -0.738 18.311 1.00 0.01 H new ATOM 0 HA GLU A 89 16.513 -2.508 18.684 1.00 0.01 H new ATOM 0 HB2 GLU A 89 14.472 -1.346 20.636 1.00 0.01 H new ATOM 0 HB3 GLU A 89 15.937 -2.170 21.130 1.00 0.01 H new ATOM 0 HG2 GLU A 89 17.307 -0.510 19.832 1.00 0.01 H new ATOM 0 HG3 GLU A 89 15.841 0.314 19.341 1.00 0.01 H new ATOM 1378 N GLU A 90 13.528 -3.762 19.270 1.00 0.00 N ATOM 1379 CA GLU A 90 12.812 -5.046 19.498 1.00 0.01 C ATOM 1380 C GLU A 90 13.199 -6.040 18.404 1.00 0.01 C ATOM 1381 O GLU A 90 13.390 -7.213 18.663 1.00 0.01 O ATOM 1382 CB GLU A 90 11.302 -4.793 19.459 1.00 0.01 C ATOM 1383 CG GLU A 90 10.540 -6.101 19.698 1.00 0.00 C ATOM 1384 CD GLU A 90 9.037 -5.823 19.661 1.00 0.01 C ATOM 1385 OE1 GLU A 90 8.671 -4.659 19.641 1.00 0.01 O ATOM 1386 OE2 GLU A 90 8.279 -6.777 19.663 1.00 0.00 O ATOM 0 H GLU A 90 12.926 -2.950 19.132 1.00 0.00 H new ATOM 0 HA GLU A 90 13.085 -5.456 20.470 1.00 0.01 H new ATOM 0 HB2 GLU A 90 11.029 -4.060 20.219 1.00 0.01 H new ATOM 0 HB3 GLU A 90 11.021 -4.371 18.494 1.00 0.01 H new ATOM 0 HG2 GLU A 90 10.805 -6.834 18.936 1.00 0.00 H new ATOM 0 HG3 GLU A 90 10.819 -6.527 20.662 1.00 0.00 H new ATOM 1393 N THR A 91 13.321 -5.596 17.182 1.00 0.01 N ATOM 1394 CA THR A 91 13.703 -6.541 16.102 1.00 0.01 C ATOM 1395 C THR A 91 15.090 -7.108 16.429 1.00 0.01 C ATOM 1396 O THR A 91 15.335 -8.291 16.296 1.00 0.01 O ATOM 1397 CB THR A 91 13.741 -5.803 14.760 1.00 0.01 C ATOM 1398 OG1 THR A 91 12.455 -5.255 14.494 1.00 0.00 O ATOM 1399 CG2 THR A 91 14.107 -6.779 13.637 1.00 0.01 C ATOM 0 H THR A 91 13.174 -4.630 16.890 1.00 0.01 H new ATOM 0 HA THR A 91 12.976 -7.350 16.032 1.00 0.01 H new ATOM 0 HB THR A 91 14.487 -5.010 14.807 1.00 0.01 H new ATOM 0 HG1 THR A 91 12.268 -4.535 15.131 1.00 0.00 H new ATOM 0 HG21 THR A 91 14.132 -6.247 12.686 1.00 0.01 H new ATOM 0 HG22 THR A 91 15.087 -7.212 13.836 1.00 0.01 H new ATOM 0 HG23 THR A 91 13.362 -7.574 13.589 1.00 0.01 H new ATOM 1407 N SER A 92 15.996 -6.272 16.872 1.00 0.01 N ATOM 1408 CA SER A 92 17.361 -6.768 17.220 1.00 0.01 C ATOM 1409 C SER A 92 17.244 -7.801 18.340 1.00 0.01 C ATOM 1410 O SER A 92 17.923 -8.807 18.349 1.00 0.00 O ATOM 1411 CB SER A 92 18.230 -5.606 17.703 1.00 0.01 C ATOM 1412 OG SER A 92 17.771 -5.170 18.977 1.00 0.01 O ATOM 0 H SER A 92 15.849 -5.272 17.007 1.00 0.01 H new ATOM 0 HA SER A 92 17.818 -7.218 16.338 1.00 0.01 H new ATOM 0 HB2 SER A 92 19.272 -5.919 17.767 1.00 0.01 H new ATOM 0 HB3 SER A 92 18.188 -4.784 16.988 1.00 0.01 H new ATOM 0 HG SER A 92 16.843 -4.865 18.903 1.00 0.01 H new ATOM 1418 N ARG A 93 16.385 -7.550 19.285 1.00 0.01 N ATOM 1419 CA ARG A 93 16.207 -8.500 20.416 1.00 0.01 C ATOM 1420 C ARG A 93 15.660 -9.829 19.888 1.00 0.01 C ATOM 1421 O ARG A 93 16.047 -10.891 20.329 1.00 0.01 O ATOM 1422 CB ARG A 93 15.218 -7.904 21.421 1.00 0.00 C ATOM 1423 CG ARG A 93 15.868 -6.713 22.127 1.00 0.01 C ATOM 1424 CD ARG A 93 14.884 -6.114 23.133 1.00 0.01 C ATOM 1425 NE ARG A 93 15.483 -4.895 23.745 1.00 0.00 N ATOM 1426 CZ ARG A 93 14.731 -4.055 24.400 1.00 0.01 C ATOM 1427 NH1 ARG A 93 13.453 -4.285 24.523 1.00 0.00 N ATOM 1428 NH2 ARG A 93 15.255 -2.985 24.933 1.00 0.01 N ATOM 0 H ARG A 93 15.793 -6.720 19.323 1.00 0.01 H new ATOM 0 HA ARG A 93 17.167 -8.674 20.903 1.00 0.01 H new ATOM 0 HB2 ARG A 93 14.310 -7.586 20.909 1.00 0.00 H new ATOM 0 HB3 ARG A 93 14.925 -8.658 22.151 1.00 0.00 H new ATOM 0 HG2 ARG A 93 16.777 -7.032 22.637 1.00 0.01 H new ATOM 0 HG3 ARG A 93 16.160 -5.959 21.396 1.00 0.01 H new ATOM 0 HD2 ARG A 93 13.947 -5.862 22.636 1.00 0.01 H new ATOM 0 HD3 ARG A 93 14.648 -6.844 23.907 1.00 0.01 H new ATOM 0 HE ARG A 93 16.483 -4.717 23.651 1.00 0.00 H new ATOM 0 HH11 ARG A 93 13.043 -5.121 24.107 1.00 0.00 H new ATOM 0 HH12 ARG A 93 12.864 -3.629 25.035 1.00 0.00 H new ATOM 0 HH21 ARG A 93 16.254 -2.805 24.837 1.00 0.01 H new ATOM 0 HH22 ARG A 93 14.665 -2.329 25.445 1.00 0.01 H new ATOM 1442 N ASN A 94 14.752 -9.771 18.954 1.00 0.01 N ATOM 1443 CA ASN A 94 14.162 -11.023 18.403 1.00 0.01 C ATOM 1444 C ASN A 94 15.244 -11.837 17.683 1.00 0.01 C ATOM 1445 O ASN A 94 15.061 -13.002 17.392 1.00 0.01 O ATOM 1446 CB ASN A 94 13.048 -10.667 17.416 1.00 0.01 C ATOM 1447 CG ASN A 94 11.865 -10.071 18.181 1.00 0.01 C ATOM 1448 OD1 ASN A 94 11.731 -10.278 19.369 1.00 0.00 O ATOM 1449 ND2 ASN A 94 11.000 -9.329 17.545 1.00 0.01 N ATOM 0 H ASN A 94 14.392 -8.908 18.547 1.00 0.01 H new ATOM 0 HA ASN A 94 13.752 -11.618 19.219 1.00 0.01 H new ATOM 0 HB2 ASN A 94 13.415 -9.954 16.678 1.00 0.01 H new ATOM 0 HB3 ASN A 94 12.732 -11.556 16.870 1.00 0.01 H new ATOM 0 HD21 ASN A 94 10.210 -8.922 18.047 1.00 0.01 H new ATOM 0 HD22 ASN A 94 11.114 -9.156 16.546 1.00 0.01 H new ATOM 1456 N MET A 95 16.368 -11.239 17.396 1.00 0.01 N ATOM 1457 CA MET A 95 17.450 -11.992 16.695 1.00 0.01 C ATOM 1458 C MET A 95 17.866 -13.183 17.554 1.00 0.01 C ATOM 1459 O MET A 95 18.159 -14.248 17.051 1.00 0.01 O ATOM 1460 CB MET A 95 18.654 -11.080 16.458 1.00 0.01 C ATOM 1461 CG MET A 95 18.255 -9.959 15.499 1.00 0.01 C ATOM 1462 SD MET A 95 17.918 -10.664 13.863 1.00 0.01 S ATOM 1463 CE MET A 95 18.695 -9.369 12.869 1.00 0.01 C ATOM 0 H MET A 95 16.585 -10.267 17.615 1.00 0.01 H new ATOM 0 HA MET A 95 17.082 -12.344 15.731 1.00 0.01 H new ATOM 0 HB2 MET A 95 18.999 -10.661 17.403 1.00 0.01 H new ATOM 0 HB3 MET A 95 19.483 -11.653 16.042 1.00 0.01 H new ATOM 0 HG2 MET A 95 17.372 -9.441 15.874 1.00 0.01 H new ATOM 0 HG3 MET A 95 19.054 -9.220 15.432 1.00 0.01 H new ATOM 0 HE1 MET A 95 18.196 -9.304 11.902 1.00 0.01 H new ATOM 0 HE2 MET A 95 18.610 -8.413 13.386 1.00 0.01 H new ATOM 0 HE3 MET A 95 19.748 -9.608 12.719 1.00 0.01 H new ATOM 1473 N LEU A 96 17.892 -13.018 18.844 1.00 0.01 N ATOM 1474 CA LEU A 96 18.276 -14.153 19.725 1.00 0.01 C ATOM 1475 C LEU A 96 17.226 -15.253 19.573 1.00 0.01 C ATOM 1476 O LEU A 96 17.530 -16.430 19.585 1.00 0.01 O ATOM 1477 CB LEU A 96 18.325 -13.677 21.180 1.00 0.01 C ATOM 1478 CG LEU A 96 19.582 -12.827 21.409 1.00 0.01 C ATOM 1479 CD1 LEU A 96 19.458 -11.484 20.674 1.00 0.01 C ATOM 1480 CD2 LEU A 96 19.744 -12.573 22.907 1.00 0.01 C ATOM 0 H LEU A 96 17.665 -12.149 19.327 1.00 0.01 H new ATOM 0 HA LEU A 96 19.259 -14.534 19.447 1.00 0.01 H new ATOM 0 HB2 LEU A 96 17.434 -13.094 21.411 1.00 0.01 H new ATOM 0 HB3 LEU A 96 18.328 -14.535 21.853 1.00 0.01 H new ATOM 0 HG LEU A 96 20.451 -13.360 21.023 1.00 0.01 H new ATOM 0 HD11 LEU A 96 20.357 -10.891 20.845 1.00 0.01 H new ATOM 0 HD12 LEU A 96 19.340 -11.664 19.605 1.00 0.01 H new ATOM 0 HD13 LEU A 96 18.589 -10.943 21.049 1.00 0.01 H new ATOM 0 HD21 LEU A 96 20.635 -11.969 23.079 1.00 0.01 H new ATOM 0 HD22 LEU A 96 18.869 -12.043 23.283 1.00 0.01 H new ATOM 0 HD23 LEU A 96 19.844 -13.525 23.429 1.00 0.01 H new ATOM 1492 N GLU A 97 15.988 -14.868 19.414 1.00 0.01 N ATOM 1493 CA GLU A 97 14.885 -15.861 19.239 1.00 0.01 C ATOM 1494 C GLU A 97 13.899 -15.311 18.199 1.00 0.01 C ATOM 1495 O GLU A 97 12.868 -14.773 18.549 1.00 0.01 O ATOM 1496 CB GLU A 97 14.147 -16.049 20.571 1.00 0.01 C ATOM 1497 CG GLU A 97 15.074 -16.715 21.590 1.00 0.01 C ATOM 1498 CD GLU A 97 15.394 -18.141 21.136 1.00 0.01 C ATOM 1499 OE1 GLU A 97 14.468 -18.929 21.026 1.00 0.01 O ATOM 1500 OE2 GLU A 97 16.558 -18.420 20.903 1.00 0.01 O ATOM 0 H GLU A 97 15.689 -13.893 19.398 1.00 0.01 H new ATOM 0 HA GLU A 97 15.294 -16.817 18.912 1.00 0.01 H new ATOM 0 HB2 GLU A 97 13.810 -15.084 20.949 1.00 0.01 H new ATOM 0 HB3 GLU A 97 13.258 -16.661 20.421 1.00 0.01 H new ATOM 0 HG2 GLU A 97 15.994 -16.139 21.691 1.00 0.01 H new ATOM 0 HG3 GLU A 97 14.600 -16.733 22.571 1.00 0.01 H new ATOM 1507 N PRO A 98 14.213 -15.421 16.926 1.00 0.01 N ATOM 1508 CA PRO A 98 13.313 -14.889 15.866 1.00 0.01 C ATOM 1509 C PRO A 98 11.921 -15.536 15.908 1.00 0.01 C ATOM 1510 O PRO A 98 11.783 -16.741 15.831 1.00 0.01 O ATOM 1511 CB PRO A 98 14.072 -15.234 14.568 1.00 0.00 C ATOM 1512 CG PRO A 98 15.475 -15.742 14.953 1.00 0.01 C ATOM 1513 CD PRO A 98 15.467 -16.075 16.456 1.00 0.01 C ATOM 0 HA PRO A 98 13.111 -13.823 15.975 1.00 0.01 H new ATOM 0 HB2 PRO A 98 13.534 -15.995 14.003 1.00 0.00 H new ATOM 0 HB3 PRO A 98 14.148 -14.356 13.927 1.00 0.00 H new ATOM 0 HG2 PRO A 98 15.734 -16.625 14.369 1.00 0.01 H new ATOM 0 HG3 PRO A 98 16.227 -14.984 14.735 1.00 0.01 H new ATOM 0 HD2 PRO A 98 15.454 -17.150 16.633 1.00 0.01 H new ATOM 0 HD3 PRO A 98 16.346 -15.679 16.964 1.00 0.01 H new ATOM 1521 N THR A 99 10.894 -14.733 16.028 1.00 0.01 N ATOM 1522 CA THR A 99 9.497 -15.266 16.074 1.00 0.01 C ATOM 1523 C THR A 99 8.763 -14.824 14.810 1.00 0.01 C ATOM 1524 O THR A 99 9.224 -13.963 14.091 1.00 0.01 O ATOM 1525 CB THR A 99 8.774 -14.697 17.298 1.00 0.00 C ATOM 1526 OG1 THR A 99 8.728 -13.280 17.201 1.00 0.01 O ATOM 1527 CG2 THR A 99 9.521 -15.098 18.571 1.00 0.00 C ATOM 0 H THR A 99 10.965 -13.718 16.097 1.00 0.01 H new ATOM 0 HA THR A 99 9.517 -16.354 16.137 1.00 0.01 H new ATOM 0 HB THR A 99 7.760 -15.094 17.337 1.00 0.00 H new ATOM 0 HG1 THR A 99 8.264 -12.913 17.983 1.00 0.01 H new ATOM 0 HG21 THR A 99 9.004 -14.691 19.440 1.00 0.00 H new ATOM 0 HG22 THR A 99 9.556 -16.185 18.645 1.00 0.00 H new ATOM 0 HG23 THR A 99 10.537 -14.704 18.536 1.00 0.00 H new ATOM 1535 N ILE A 100 7.631 -15.404 14.529 1.00 0.00 N ATOM 1536 CA ILE A 100 6.885 -15.010 13.304 1.00 0.01 C ATOM 1537 C ILE A 100 6.265 -13.621 13.506 1.00 0.01 C ATOM 1538 O ILE A 100 5.955 -12.926 12.559 1.00 0.01 O ATOM 1539 CB ILE A 100 5.783 -16.039 13.026 1.00 0.00 C ATOM 1540 CG1 ILE A 100 5.170 -15.785 11.637 1.00 0.01 C ATOM 1541 CG2 ILE A 100 4.687 -15.922 14.094 1.00 0.01 C ATOM 1542 CD1 ILE A 100 6.172 -16.141 10.526 1.00 0.01 C ATOM 0 H ILE A 100 7.191 -16.132 15.093 1.00 0.00 H new ATOM 0 HA ILE A 100 7.567 -14.976 12.454 1.00 0.01 H new ATOM 0 HB ILE A 100 6.215 -17.040 13.054 1.00 0.00 H new ATOM 0 HG12 ILE A 100 4.264 -16.379 11.520 1.00 0.01 H new ATOM 0 HG13 ILE A 100 4.879 -14.738 11.549 1.00 0.01 H new ATOM 0 HG21 ILE A 100 3.905 -16.654 13.894 1.00 0.01 H new ATOM 0 HG22 ILE A 100 5.117 -16.109 15.078 1.00 0.01 H new ATOM 0 HG23 ILE A 100 4.260 -14.919 14.069 1.00 0.01 H new ATOM 0 HD11 ILE A 100 5.718 -15.954 9.553 1.00 0.01 H new ATOM 0 HD12 ILE A 100 7.067 -15.528 10.633 1.00 0.01 H new ATOM 0 HD13 ILE A 100 6.442 -17.194 10.604 1.00 0.01 H new ATOM 1554 N THR A 101 6.081 -13.213 14.734 1.00 0.00 N ATOM 1555 CA THR A 101 5.477 -11.870 14.998 1.00 0.01 C ATOM 1556 C THR A 101 6.586 -10.833 15.169 1.00 0.01 C ATOM 1557 O THR A 101 6.344 -9.705 15.549 1.00 0.01 O ATOM 1558 CB THR A 101 4.635 -11.933 16.274 1.00 0.01 C ATOM 1559 OG1 THR A 101 5.450 -12.355 17.358 1.00 0.00 O ATOM 1560 CG2 THR A 101 3.484 -12.921 16.077 1.00 0.01 C ATOM 0 H THR A 101 6.322 -13.750 15.567 1.00 0.00 H new ATOM 0 HA THR A 101 4.844 -11.586 14.157 1.00 0.01 H new ATOM 0 HB THR A 101 4.228 -10.946 16.492 1.00 0.01 H new ATOM 0 HG1 THR A 101 4.912 -12.394 18.176 1.00 0.00 H new ATOM 0 HG21 THR A 101 2.884 -12.966 16.986 1.00 0.01 H new ATOM 0 HG22 THR A 101 2.860 -12.592 15.246 1.00 0.01 H new ATOM 0 HG23 THR A 101 3.887 -13.910 15.859 1.00 0.01 H new ATOM 1568 N CYS A 102 7.802 -11.207 14.891 1.00 0.00 N ATOM 1569 CA CYS A 102 8.931 -10.246 15.033 1.00 0.00 C ATOM 1570 C CYS A 102 8.722 -9.051 14.095 1.00 0.01 C ATOM 1571 O CYS A 102 8.913 -7.914 14.477 1.00 0.01 O ATOM 1572 CB CYS A 102 10.244 -10.947 14.676 1.00 0.00 C ATOM 1573 SG CYS A 102 11.568 -9.719 14.547 1.00 0.01 S ATOM 0 H CYS A 102 8.064 -12.139 14.571 1.00 0.00 H new ATOM 0 HA CYS A 102 8.971 -9.891 16.063 1.00 0.00 H new ATOM 0 HB2 CYS A 102 10.492 -11.687 15.437 1.00 0.00 H new ATOM 0 HB3 CYS A 102 10.138 -11.483 13.733 1.00 0.00 H new ATOM 0 HG CYS A 102 11.878 -9.545 13.297 1.00 0.01 H new ATOM 1579 N PHE A 103 8.345 -9.296 12.862 1.00 0.00 N ATOM 1580 CA PHE A 103 8.141 -8.166 11.898 1.00 0.01 C ATOM 1581 C PHE A 103 6.660 -7.775 11.838 1.00 0.01 C ATOM 1582 O PHE A 103 6.314 -6.740 11.304 1.00 0.00 O ATOM 1583 CB PHE A 103 8.612 -8.597 10.505 1.00 0.00 C ATOM 1584 CG PHE A 103 10.123 -8.657 10.480 1.00 0.00 C ATOM 1585 CD1 PHE A 103 10.789 -9.729 11.081 1.00 0.01 C ATOM 1586 CD2 PHE A 103 10.858 -7.642 9.853 1.00 0.00 C ATOM 1587 CE1 PHE A 103 12.187 -9.790 11.057 1.00 0.01 C ATOM 1588 CE2 PHE A 103 12.256 -7.702 9.830 1.00 0.01 C ATOM 1589 CZ PHE A 103 12.920 -8.775 10.432 1.00 0.00 C ATOM 0 H PHE A 103 8.170 -10.226 12.482 1.00 0.00 H new ATOM 0 HA PHE A 103 8.718 -7.305 12.235 1.00 0.01 H new ATOM 0 HB2 PHE A 103 8.194 -9.572 10.254 1.00 0.00 H new ATOM 0 HB3 PHE A 103 8.253 -7.893 9.754 1.00 0.00 H new ATOM 0 HD1 PHE A 103 10.224 -10.512 11.565 1.00 0.01 H new ATOM 0 HD2 PHE A 103 10.345 -6.813 9.387 1.00 0.00 H new ATOM 0 HE1 PHE A 103 12.700 -10.620 11.521 1.00 0.01 H new ATOM 0 HE2 PHE A 103 12.822 -6.919 9.347 1.00 0.01 H new ATOM 0 HZ PHE A 103 13.999 -8.821 10.415 1.00 0.00 H new ATOM 1599 N ASP A 104 5.780 -8.573 12.388 1.00 0.01 N ATOM 1600 CA ASP A 104 4.335 -8.199 12.350 1.00 0.01 C ATOM 1601 C ASP A 104 4.158 -6.867 13.070 1.00 0.00 C ATOM 1602 O ASP A 104 3.412 -6.008 12.642 1.00 0.01 O ATOM 1603 CB ASP A 104 3.492 -9.266 13.054 1.00 0.01 C ATOM 1604 CG ASP A 104 3.478 -10.540 12.212 1.00 0.01 C ATOM 1605 OD1 ASP A 104 3.919 -10.478 11.077 1.00 0.01 O ATOM 1606 OD2 ASP A 104 3.019 -11.554 12.711 1.00 0.00 O ATOM 0 H ASP A 104 5.995 -9.454 12.855 1.00 0.01 H new ATOM 0 HA ASP A 104 4.009 -8.119 11.313 1.00 0.01 H new ATOM 0 HB2 ASP A 104 3.902 -9.475 14.042 1.00 0.01 H new ATOM 0 HB3 ASP A 104 2.475 -8.903 13.201 1.00 0.01 H new ATOM 1611 N GLU A 105 4.852 -6.687 14.158 1.00 0.00 N ATOM 1612 CA GLU A 105 4.741 -5.411 14.909 1.00 0.00 C ATOM 1613 C GLU A 105 5.274 -4.282 14.030 1.00 0.00 C ATOM 1614 O GLU A 105 4.743 -3.192 14.015 1.00 0.01 O ATOM 1615 CB GLU A 105 5.559 -5.499 16.199 1.00 0.00 C ATOM 1616 CG GLU A 105 5.378 -4.213 17.009 1.00 0.00 C ATOM 1617 CD GLU A 105 6.193 -4.304 18.301 1.00 0.01 C ATOM 1618 OE1 GLU A 105 6.681 -5.382 18.596 1.00 0.01 O ATOM 1619 OE2 GLU A 105 6.311 -3.294 18.975 1.00 0.00 O ATOM 0 H GLU A 105 5.493 -7.372 14.559 1.00 0.00 H new ATOM 0 HA GLU A 105 3.700 -5.218 15.168 1.00 0.00 H new ATOM 0 HB2 GLU A 105 5.239 -6.359 16.787 1.00 0.00 H new ATOM 0 HB3 GLU A 105 6.613 -5.648 15.964 1.00 0.00 H new ATOM 0 HG2 GLU A 105 5.701 -3.353 16.423 1.00 0.00 H new ATOM 0 HG3 GLU A 105 4.324 -4.062 17.241 1.00 0.00 H new ATOM 1626 N ALA A 106 6.324 -4.537 13.298 1.00 0.00 N ATOM 1627 CA ALA A 106 6.893 -3.478 12.422 1.00 0.00 C ATOM 1628 C ALA A 106 5.901 -3.164 11.301 1.00 0.00 C ATOM 1629 O ALA A 106 5.643 -2.018 10.998 1.00 0.00 O ATOM 1630 CB ALA A 106 8.208 -3.971 11.816 1.00 0.00 C ATOM 0 H ALA A 106 6.811 -5.433 13.270 1.00 0.00 H new ATOM 0 HA ALA A 106 7.079 -2.578 13.008 1.00 0.00 H new ATOM 0 HB1 ALA A 106 8.626 -3.196 11.174 1.00 0.00 H new ATOM 0 HB2 ALA A 106 8.914 -4.200 12.615 1.00 0.00 H new ATOM 0 HB3 ALA A 106 8.023 -4.869 11.227 1.00 0.00 H new ATOM 1636 N GLN A 107 5.331 -4.168 10.689 1.00 0.00 N ATOM 1637 CA GLN A 107 4.350 -3.902 9.600 1.00 0.00 C ATOM 1638 C GLN A 107 3.190 -3.089 10.167 1.00 0.00 C ATOM 1639 O GLN A 107 2.691 -2.176 9.539 1.00 0.00 O ATOM 1640 CB GLN A 107 3.821 -5.222 9.039 1.00 0.00 C ATOM 1641 CG GLN A 107 2.812 -4.925 7.927 1.00 0.00 C ATOM 1642 CD GLN A 107 2.457 -6.217 7.191 1.00 0.00 C ATOM 1643 OE1 GLN A 107 3.100 -6.575 6.223 1.00 0.00 O ATOM 1644 NE2 GLN A 107 1.461 -6.946 7.618 1.00 0.00 N ATOM 0 H GLN A 107 5.501 -5.152 10.895 1.00 0.00 H new ATOM 0 HA GLN A 107 4.838 -3.347 8.799 1.00 0.00 H new ATOM 0 HB2 GLN A 107 4.644 -5.822 8.650 1.00 0.00 H new ATOM 0 HB3 GLN A 107 3.348 -5.804 9.830 1.00 0.00 H new ATOM 0 HG2 GLN A 107 1.912 -4.478 8.350 1.00 0.00 H new ATOM 0 HG3 GLN A 107 3.230 -4.201 7.228 1.00 0.00 H new ATOM 0 HE21 GLN A 107 0.921 -6.646 8.430 1.00 0.00 H new ATOM 0 HE22 GLN A 107 1.223 -7.815 7.140 1.00 0.00 H new ATOM 1653 N LYS A 108 2.762 -3.406 11.356 1.00 0.00 N ATOM 1654 CA LYS A 108 1.645 -2.644 11.971 1.00 0.00 C ATOM 1655 C LYS A 108 2.069 -1.180 12.082 1.00 0.00 C ATOM 1656 O LYS A 108 1.304 -0.276 11.814 1.00 0.00 O ATOM 1657 CB LYS A 108 1.352 -3.208 13.363 1.00 0.00 C ATOM 1658 CG LYS A 108 0.203 -2.435 14.015 1.00 0.00 C ATOM 1659 CD LYS A 108 -0.071 -3.016 15.403 1.00 0.01 C ATOM 1660 CE LYS A 108 -1.133 -2.172 16.110 1.00 0.00 C ATOM 1661 NZ LYS A 108 -0.538 -0.873 16.532 1.00 0.00 N ATOM 0 H LYS A 108 3.139 -4.161 11.928 1.00 0.00 H new ATOM 0 HA LYS A 108 0.745 -2.726 11.361 1.00 0.00 H new ATOM 0 HB2 LYS A 108 1.093 -4.264 13.288 1.00 0.00 H new ATOM 0 HB3 LYS A 108 2.244 -3.142 13.986 1.00 0.00 H new ATOM 0 HG2 LYS A 108 0.459 -1.378 14.094 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -0.692 -2.501 13.397 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -0.410 -4.048 15.316 1.00 0.01 H new ATOM 0 HD3 LYS A 108 0.847 -3.031 15.990 1.00 0.01 H new ATOM 0 HE2 LYS A 108 -1.977 -1.997 15.443 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -1.518 -2.706 16.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -1.197 -0.100 16.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -0.359 -0.890 17.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 0.358 -0.721 16.026 1.00 0.00 H new ATOM 1675 N LYS A 109 3.293 -0.943 12.470 1.00 0.01 N ATOM 1676 CA LYS A 109 3.773 0.457 12.586 1.00 0.00 C ATOM 1677 C LYS A 109 3.838 1.075 11.188 1.00 0.00 C ATOM 1678 O LYS A 109 3.473 2.218 10.991 1.00 0.00 O ATOM 1679 CB LYS A 109 5.159 0.478 13.244 1.00 0.00 C ATOM 1680 CG LYS A 109 5.069 -0.080 14.675 1.00 0.00 C ATOM 1681 CD LYS A 109 4.443 0.950 15.623 1.00 0.01 C ATOM 1682 CE LYS A 109 4.618 0.479 17.067 1.00 0.00 C ATOM 1683 NZ LYS A 109 4.039 1.494 17.992 1.00 0.01 N ATOM 0 H LYS A 109 3.978 -1.660 12.711 1.00 0.01 H new ATOM 0 HA LYS A 109 3.088 1.035 13.206 1.00 0.00 H new ATOM 0 HB2 LYS A 109 5.859 -0.116 12.656 1.00 0.00 H new ATOM 0 HB3 LYS A 109 5.545 1.497 13.266 1.00 0.00 H new ATOM 0 HG2 LYS A 109 4.473 -0.993 14.677 1.00 0.00 H new ATOM 0 HG3 LYS A 109 6.064 -0.349 15.029 1.00 0.00 H new ATOM 0 HD2 LYS A 109 4.916 1.922 15.486 1.00 0.01 H new ATOM 0 HD3 LYS A 109 3.385 1.075 15.395 1.00 0.01 H new ATOM 0 HE2 LYS A 109 4.125 -0.483 17.210 1.00 0.00 H new ATOM 0 HE3 LYS A 109 5.675 0.331 17.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 3.893 1.067 18.929 1.00 0.01 H new ATOM 0 HZ2 LYS A 109 4.692 2.299 18.077 1.00 0.01 H new ATOM 0 HZ3 LYS A 109 3.128 1.826 17.617 1.00 0.01 H new ATOM 1697 N ILE A 110 4.277 0.328 10.203 1.00 0.00 N ATOM 1698 CA ILE A 110 4.327 0.895 8.825 1.00 0.00 C ATOM 1699 C ILE A 110 2.888 1.112 8.344 1.00 0.00 C ATOM 1700 O ILE A 110 2.560 2.142 7.796 1.00 0.00 O ATOM 1701 CB ILE A 110 5.039 -0.086 7.878 1.00 0.00 C ATOM 1702 CG1 ILE A 110 6.505 -0.287 8.306 1.00 0.00 C ATOM 1703 CG2 ILE A 110 4.995 0.448 6.442 1.00 0.00 C ATOM 1704 CD1 ILE A 110 7.253 1.055 8.374 1.00 0.00 C ATOM 0 H ILE A 110 4.598 -0.636 10.294 1.00 0.00 H new ATOM 0 HA ILE A 110 4.875 1.837 8.831 1.00 0.00 H new ATOM 0 HB ILE A 110 4.523 -1.045 7.927 1.00 0.00 H new ATOM 0 HG12 ILE A 110 6.539 -0.775 9.280 1.00 0.00 H new ATOM 0 HG13 ILE A 110 7.005 -0.950 7.600 1.00 0.00 H new ATOM 0 HG21 ILE A 110 5.501 -0.252 5.778 1.00 0.00 H new ATOM 0 HG22 ILE A 110 3.958 0.561 6.128 1.00 0.00 H new ATOM 0 HG23 ILE A 110 5.495 1.416 6.398 1.00 0.00 H new ATOM 0 HD11 ILE A 110 8.285 0.881 8.679 1.00 0.00 H new ATOM 0 HD12 ILE A 110 7.239 1.529 7.393 1.00 0.00 H new ATOM 0 HD13 ILE A 110 6.766 1.707 9.099 1.00 0.00 H new ATOM 1716 N PHE A 111 2.028 0.144 8.555 1.00 0.00 N ATOM 1717 CA PHE A 111 0.606 0.286 8.121 1.00 0.00 C ATOM 1718 C PHE A 111 -0.030 1.495 8.826 1.00 0.00 C ATOM 1719 O PHE A 111 -0.690 2.308 8.212 1.00 0.00 O ATOM 1720 CB PHE A 111 -0.168 -1.010 8.487 1.00 0.00 C ATOM 1721 CG PHE A 111 -0.323 -1.900 7.269 1.00 0.00 C ATOM 1722 CD1 PHE A 111 0.754 -2.088 6.396 1.00 0.00 C ATOM 1723 CD2 PHE A 111 -1.550 -2.526 7.009 1.00 0.00 C ATOM 1724 CE1 PHE A 111 0.602 -2.897 5.263 1.00 0.00 C ATOM 1725 CE2 PHE A 111 -1.699 -3.334 5.879 1.00 0.00 C ATOM 1726 CZ PHE A 111 -0.628 -3.519 5.006 1.00 0.00 C ATOM 0 H PHE A 111 2.253 -0.740 9.011 1.00 0.00 H new ATOM 0 HA PHE A 111 0.562 0.442 7.043 1.00 0.00 H new ATOM 0 HB2 PHE A 111 0.363 -1.548 9.272 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -1.150 -0.754 8.884 1.00 0.00 H new ATOM 0 HD1 PHE A 111 1.702 -1.610 6.596 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -2.382 -2.383 7.683 1.00 0.00 H new ATOM 0 HE1 PHE A 111 1.432 -3.042 4.587 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -2.645 -3.816 5.682 1.00 0.00 H new ATOM 0 HZ PHE A 111 -0.746 -4.142 4.131 1.00 0.00 H new ATOM 1736 N ASN A 112 0.147 1.611 10.112 1.00 0.00 N ATOM 1737 CA ASN A 112 -0.462 2.758 10.844 1.00 0.00 C ATOM 1738 C ASN A 112 0.108 4.074 10.313 1.00 0.00 C ATOM 1739 O ASN A 112 -0.600 5.045 10.135 1.00 0.00 O ATOM 1740 CB ASN A 112 -0.124 2.644 12.329 1.00 0.00 C ATOM 1741 CG ASN A 112 -0.839 1.438 12.932 1.00 0.00 C ATOM 1742 OD1 ASN A 112 -1.807 0.951 12.384 1.00 0.01 O ATOM 1743 ND2 ASN A 112 -0.398 0.931 14.050 1.00 0.00 N ATOM 0 H ASN A 112 0.685 0.964 10.688 1.00 0.00 H new ATOM 0 HA ASN A 112 -1.542 2.740 10.700 1.00 0.00 H new ATOM 0 HB2 ASN A 112 0.953 2.542 12.459 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -0.423 3.553 12.850 1.00 0.00 H new ATOM 0 HD21 ASN A 112 -0.866 0.125 14.464 1.00 0.00 H new ATOM 0 HD22 ASN A 112 0.415 1.340 14.510 1.00 0.00 H new ATOM 1750 N LEU A 113 1.389 4.117 10.075 1.00 0.00 N ATOM 1751 CA LEU A 113 2.020 5.373 9.577 1.00 0.00 C ATOM 1752 C LEU A 113 1.435 5.763 8.220 1.00 0.00 C ATOM 1753 O LEU A 113 0.895 6.838 8.050 1.00 0.00 O ATOM 1754 CB LEU A 113 3.527 5.133 9.430 1.00 0.00 C ATOM 1755 CG LEU A 113 4.234 6.396 8.918 1.00 0.00 C ATOM 1756 CD1 LEU A 113 4.080 7.540 9.932 1.00 0.00 C ATOM 1757 CD2 LEU A 113 5.719 6.081 8.720 1.00 0.00 C ATOM 0 H LEU A 113 2.029 3.334 10.204 1.00 0.00 H new ATOM 0 HA LEU A 113 1.828 6.181 10.283 1.00 0.00 H new ATOM 0 HB2 LEU A 113 3.948 4.840 10.392 1.00 0.00 H new ATOM 0 HB3 LEU A 113 3.703 4.308 8.740 1.00 0.00 H new ATOM 0 HG LEU A 113 3.787 6.706 7.974 1.00 0.00 H new ATOM 0 HD11 LEU A 113 4.586 8.430 9.557 1.00 0.00 H new ATOM 0 HD12 LEU A 113 3.022 7.758 10.077 1.00 0.00 H new ATOM 0 HD13 LEU A 113 4.523 7.245 10.883 1.00 0.00 H new ATOM 0 HD21 LEU A 113 6.234 6.970 8.356 1.00 0.00 H new ATOM 0 HD22 LEU A 113 6.155 5.772 9.670 1.00 0.00 H new ATOM 0 HD23 LEU A 113 5.826 5.276 7.993 1.00 0.00 H new ATOM 1769 N MET A 114 1.548 4.901 7.251 1.00 0.00 N ATOM 1770 CA MET A 114 1.014 5.220 5.898 1.00 0.00 C ATOM 1771 C MET A 114 -0.511 5.334 5.954 1.00 0.00 C ATOM 1772 O MET A 114 -1.100 6.208 5.352 1.00 0.00 O ATOM 1773 CB MET A 114 1.413 4.092 4.941 1.00 0.00 C ATOM 1774 CG MET A 114 0.743 2.789 5.386 1.00 0.00 C ATOM 1775 SD MET A 114 1.633 1.377 4.683 1.00 0.00 S ATOM 1776 CE MET A 114 1.177 1.638 2.953 1.00 0.00 C ATOM 0 H MET A 114 1.989 3.985 7.337 1.00 0.00 H new ATOM 0 HA MET A 114 1.423 6.169 5.551 1.00 0.00 H new ATOM 0 HB2 MET A 114 1.112 4.340 3.923 1.00 0.00 H new ATOM 0 HB3 MET A 114 2.496 3.973 4.933 1.00 0.00 H new ATOM 0 HG2 MET A 114 0.739 2.724 6.474 1.00 0.00 H new ATOM 0 HG3 MET A 114 -0.297 2.774 5.062 1.00 0.00 H new ATOM 0 HE1 MET A 114 1.176 0.682 2.429 1.00 0.00 H new ATOM 0 HE2 MET A 114 0.183 2.081 2.902 1.00 0.00 H new ATOM 0 HE3 MET A 114 1.897 2.308 2.484 1.00 0.00 H new ATOM 1786 N GLU A 115 -1.153 4.449 6.662 1.00 0.00 N ATOM 1787 CA GLU A 115 -2.639 4.495 6.745 1.00 0.00 C ATOM 1788 C GLU A 115 -3.094 5.830 7.344 1.00 0.00 C ATOM 1789 O GLU A 115 -4.073 6.408 6.927 1.00 0.00 O ATOM 1790 CB GLU A 115 -3.127 3.342 7.627 1.00 0.00 C ATOM 1791 CG GLU A 115 -4.654 3.356 7.706 1.00 0.01 C ATOM 1792 CD GLU A 115 -5.125 2.202 8.587 1.00 0.00 C ATOM 1793 OE1 GLU A 115 -4.303 1.367 8.925 1.00 0.01 O ATOM 1794 OE2 GLU A 115 -6.301 2.172 8.911 1.00 0.00 O ATOM 0 H GLU A 115 -0.712 3.694 7.188 1.00 0.00 H new ATOM 0 HA GLU A 115 -3.059 4.399 5.744 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -2.784 2.391 7.220 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -2.702 3.432 8.627 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -5.000 4.305 8.115 1.00 0.01 H new ATOM 0 HG3 GLU A 115 -5.082 3.264 6.708 1.00 0.01 H new ATOM 1801 N LYS A 116 -2.417 6.319 8.330 1.00 0.01 N ATOM 1802 CA LYS A 116 -2.849 7.604 8.939 1.00 0.00 C ATOM 1803 C LYS A 116 -2.554 8.775 7.993 1.00 0.01 C ATOM 1804 O LYS A 116 -3.321 9.714 7.912 1.00 0.00 O ATOM 1805 CB LYS A 116 -2.119 7.809 10.270 1.00 0.00 C ATOM 1806 CG LYS A 116 -2.590 6.762 11.295 1.00 0.00 C ATOM 1807 CD LYS A 116 -3.933 7.171 11.917 1.00 0.00 C ATOM 1808 CE LYS A 116 -4.289 6.186 13.033 1.00 0.00 C ATOM 1809 NZ LYS A 116 -4.683 4.882 12.427 1.00 0.00 N ATOM 0 H LYS A 116 -1.588 5.893 8.743 1.00 0.01 H new ATOM 0 HA LYS A 116 -3.924 7.568 9.116 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -1.043 7.725 10.121 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -2.311 8.813 10.649 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -2.690 5.791 10.810 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -1.840 6.651 12.078 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -3.870 8.184 12.315 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -4.714 7.176 11.156 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -3.437 6.049 13.699 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -5.105 6.582 13.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -5.102 4.272 13.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -5.380 5.046 11.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -3.843 4.417 12.027 1.00 0.00 H new ATOM 1823 N ASP A 117 -1.434 8.750 7.306 1.00 0.00 N ATOM 1824 CA ASP A 117 -1.077 9.893 6.397 1.00 0.00 C ATOM 1825 C ASP A 117 -1.210 9.526 4.911 1.00 0.00 C ATOM 1826 O ASP A 117 -1.786 10.266 4.143 1.00 0.00 O ATOM 1827 CB ASP A 117 0.372 10.294 6.669 1.00 0.00 C ATOM 1828 CG ASP A 117 0.488 10.869 8.081 1.00 0.00 C ATOM 1829 OD1 ASP A 117 -0.533 11.247 8.631 1.00 0.00 O ATOM 1830 OD2 ASP A 117 1.596 10.922 8.588 1.00 0.00 O ATOM 0 H ASP A 117 -0.753 7.991 7.334 1.00 0.00 H new ATOM 0 HA ASP A 117 -1.769 10.710 6.602 1.00 0.00 H new ATOM 0 HB2 ASP A 117 1.026 9.428 6.563 1.00 0.00 H new ATOM 0 HB3 ASP A 117 0.699 11.032 5.937 1.00 0.00 H new ATOM 1835 N SER A 118 -0.655 8.424 4.479 1.00 0.00 N ATOM 1836 CA SER A 118 -0.737 8.086 3.022 1.00 0.00 C ATOM 1837 C SER A 118 -2.193 7.953 2.580 1.00 0.00 C ATOM 1838 O SER A 118 -2.584 8.464 1.549 1.00 0.01 O ATOM 1839 CB SER A 118 -0.006 6.774 2.743 1.00 0.00 C ATOM 1840 OG SER A 118 -0.851 5.682 3.076 1.00 0.00 O ATOM 0 H SER A 118 -0.155 7.751 5.060 1.00 0.00 H new ATOM 0 HA SER A 118 -0.266 8.893 2.461 1.00 0.00 H new ATOM 0 HB2 SER A 118 0.279 6.720 1.692 1.00 0.00 H new ATOM 0 HB3 SER A 118 0.914 6.727 3.326 1.00 0.00 H new ATOM 0 HG SER A 118 -1.318 5.874 3.916 1.00 0.00 H new ATOM 1846 N TYR A 119 -2.999 7.272 3.340 1.00 0.01 N ATOM 1847 CA TYR A 119 -4.424 7.113 2.941 1.00 0.00 C ATOM 1848 C TYR A 119 -5.057 8.494 2.797 1.00 0.01 C ATOM 1849 O TYR A 119 -5.737 8.776 1.832 1.00 0.01 O ATOM 1850 CB TYR A 119 -5.152 6.271 4.013 1.00 0.00 C ATOM 1851 CG TYR A 119 -5.700 4.993 3.415 1.00 0.00 C ATOM 1852 CD1 TYR A 119 -4.875 4.173 2.633 1.00 0.01 C ATOM 1853 CD2 TYR A 119 -7.030 4.637 3.636 1.00 0.01 C ATOM 1854 CE1 TYR A 119 -5.385 2.999 2.077 1.00 0.01 C ATOM 1855 CE2 TYR A 119 -7.539 3.460 3.081 1.00 0.01 C ATOM 1856 CZ TYR A 119 -6.714 2.643 2.302 1.00 0.00 C ATOM 1857 OH TYR A 119 -7.213 1.481 1.753 1.00 0.00 O ATOM 0 H TYR A 119 -2.736 6.820 4.216 1.00 0.01 H new ATOM 0 HA TYR A 119 -4.503 6.598 1.984 1.00 0.00 H new ATOM 0 HB2 TYR A 119 -4.463 6.032 4.823 1.00 0.00 H new ATOM 0 HB3 TYR A 119 -5.965 6.852 4.447 1.00 0.00 H new ATOM 0 HD1 TYR A 119 -3.845 4.450 2.461 1.00 0.01 H new ATOM 0 HD2 TYR A 119 -7.666 5.271 4.236 1.00 0.01 H new ATOM 0 HE1 TYR A 119 -4.751 2.367 1.473 1.00 0.01 H new ATOM 0 HE2 TYR A 119 -8.568 3.182 3.253 1.00 0.01 H new ATOM 0 HH TYR A 119 -8.143 1.622 1.478 1.00 0.00 H new ATOM 1867 N ARG A 120 -4.827 9.361 3.733 1.00 0.00 N ATOM 1868 CA ARG A 120 -5.406 10.719 3.616 1.00 0.01 C ATOM 1869 C ARG A 120 -4.860 11.359 2.339 1.00 0.00 C ATOM 1870 O ARG A 120 -5.567 12.039 1.619 1.00 0.00 O ATOM 1871 CB ARG A 120 -5.031 11.552 4.844 1.00 0.00 C ATOM 1872 CG ARG A 120 -5.790 11.002 6.057 1.00 0.01 C ATOM 1873 CD ARG A 120 -5.450 11.805 7.325 1.00 0.00 C ATOM 1874 NE ARG A 120 -5.566 10.918 8.531 1.00 0.01 N ATOM 1875 CZ ARG A 120 -6.604 10.134 8.707 1.00 0.00 C ATOM 1876 NH1 ARG A 120 -7.665 10.253 7.958 1.00 0.00 N ATOM 1877 NH2 ARG A 120 -6.600 9.267 9.681 1.00 0.01 N ATOM 0 H ARG A 120 -4.267 9.191 4.569 1.00 0.00 H new ATOM 0 HA ARG A 120 -6.494 10.669 3.565 1.00 0.01 H new ATOM 0 HB2 ARG A 120 -3.956 11.507 5.018 1.00 0.00 H new ATOM 0 HB3 ARG A 120 -5.284 12.600 4.682 1.00 0.00 H new ATOM 0 HG2 ARG A 120 -6.863 11.046 5.870 1.00 0.01 H new ATOM 0 HG3 ARG A 120 -5.535 9.953 6.206 1.00 0.01 H new ATOM 0 HD2 ARG A 120 -4.439 12.207 7.253 1.00 0.00 H new ATOM 0 HD3 ARG A 120 -6.125 12.655 7.421 1.00 0.00 H new ATOM 0 HE ARG A 120 -4.822 10.925 9.229 1.00 0.01 H new ATOM 0 HH11 ARG A 120 -7.695 10.962 7.225 1.00 0.00 H new ATOM 0 HH12 ARG A 120 -8.465 9.637 8.105 1.00 0.00 H new ATOM 0 HH21 ARG A 120 -5.793 9.201 10.301 1.00 0.01 H new ATOM 0 HH22 ARG A 120 -7.404 8.655 9.823 1.00 0.01 H new ATOM 1891 N ARG A 121 -3.606 11.127 2.044 1.00 0.00 N ATOM 1892 CA ARG A 121 -3.010 11.704 0.804 1.00 0.01 C ATOM 1893 C ARG A 121 -3.607 11.001 -0.424 1.00 0.01 C ATOM 1894 O ARG A 121 -3.901 11.625 -1.424 1.00 0.01 O ATOM 1895 CB ARG A 121 -1.496 11.478 0.811 1.00 0.01 C ATOM 1896 CG ARG A 121 -0.840 12.355 1.880 1.00 0.00 C ATOM 1897 CD ARG A 121 0.670 12.115 1.871 1.00 0.00 C ATOM 1898 NE ARG A 121 1.311 12.925 2.947 1.00 0.01 N ATOM 1899 CZ ARG A 121 2.549 12.694 3.290 1.00 0.01 C ATOM 1900 NH1 ARG A 121 3.239 11.773 2.673 1.00 0.00 N ATOM 1901 NH2 ARG A 121 3.100 13.387 4.249 1.00 0.01 N ATOM 0 H ARG A 121 -2.971 10.563 2.609 1.00 0.00 H new ATOM 0 HA ARG A 121 -3.226 12.772 0.765 1.00 0.01 H new ATOM 0 HB2 ARG A 121 -1.278 10.428 1.006 1.00 0.01 H new ATOM 0 HB3 ARG A 121 -1.081 11.713 -0.169 1.00 0.01 H new ATOM 0 HG2 ARG A 121 -1.054 13.406 1.687 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -1.251 12.121 2.862 1.00 0.00 H new ATOM 0 HD2 ARG A 121 0.881 11.057 2.024 1.00 0.00 H new ATOM 0 HD3 ARG A 121 1.086 12.386 0.901 1.00 0.00 H new ATOM 0 HE ARG A 121 0.781 13.660 3.415 1.00 0.01 H new ATOM 0 HH11 ARG A 121 2.811 11.233 1.921 1.00 0.00 H new ATOM 0 HH12 ARG A 121 4.206 11.594 2.943 1.00 0.00 H new ATOM 0 HH21 ARG A 121 2.563 14.109 4.730 1.00 0.01 H new ATOM 0 HH22 ARG A 121 4.067 13.207 4.517 1.00 0.01 H new ATOM 1915 N PHE A 122 -3.797 9.706 -0.355 1.00 0.01 N ATOM 1916 CA PHE A 122 -4.377 8.973 -1.524 1.00 0.01 C ATOM 1917 C PHE A 122 -5.762 9.529 -1.843 1.00 0.01 C ATOM 1918 O PHE A 122 -6.072 9.830 -2.973 1.00 0.01 O ATOM 1919 CB PHE A 122 -4.488 7.476 -1.186 1.00 0.00 C ATOM 1920 CG PHE A 122 -3.177 6.796 -1.487 1.00 0.01 C ATOM 1921 CD1 PHE A 122 -2.767 6.693 -2.813 1.00 0.00 C ATOM 1922 CD2 PHE A 122 -2.371 6.289 -0.461 1.00 0.01 C ATOM 1923 CE1 PHE A 122 -1.553 6.080 -3.125 1.00 0.00 C ATOM 1924 CE2 PHE A 122 -1.152 5.681 -0.769 1.00 0.01 C ATOM 1925 CZ PHE A 122 -0.741 5.573 -2.100 1.00 0.00 C ATOM 0 H PHE A 122 -3.577 9.127 0.456 1.00 0.01 H new ATOM 0 HA PHE A 122 -3.729 9.103 -2.391 1.00 0.01 H new ATOM 0 HB2 PHE A 122 -4.744 7.347 -0.134 1.00 0.00 H new ATOM 0 HB3 PHE A 122 -5.289 7.019 -1.767 1.00 0.00 H new ATOM 0 HD1 PHE A 122 -3.390 7.088 -3.602 1.00 0.00 H new ATOM 0 HD2 PHE A 122 -2.691 6.368 0.567 1.00 0.01 H new ATOM 0 HE1 PHE A 122 -1.239 5.996 -4.155 1.00 0.00 H new ATOM 0 HE2 PHE A 122 -0.527 5.294 0.022 1.00 0.01 H new ATOM 0 HZ PHE A 122 0.200 5.100 -2.339 1.00 0.00 H new ATOM 1935 N LEU A 123 -6.593 9.670 -0.862 1.00 0.00 N ATOM 1936 CA LEU A 123 -7.954 10.212 -1.123 1.00 0.00 C ATOM 1937 C LEU A 123 -7.811 11.612 -1.717 1.00 0.01 C ATOM 1938 O LEU A 123 -8.530 11.991 -2.619 1.00 0.00 O ATOM 1939 CB LEU A 123 -8.750 10.278 0.185 1.00 0.00 C ATOM 1940 CG LEU A 123 -8.952 8.862 0.746 1.00 0.01 C ATOM 1941 CD1 LEU A 123 -9.643 8.955 2.109 1.00 0.00 C ATOM 1942 CD2 LEU A 123 -9.815 8.025 -0.221 1.00 0.01 C ATOM 0 H LEU A 123 -6.395 9.435 0.111 1.00 0.00 H new ATOM 0 HA LEU A 123 -8.486 9.564 -1.820 1.00 0.00 H new ATOM 0 HB2 LEU A 123 -8.221 10.895 0.912 1.00 0.00 H new ATOM 0 HB3 LEU A 123 -9.717 10.750 0.009 1.00 0.00 H new ATOM 0 HG LEU A 123 -7.982 8.377 0.858 1.00 0.01 H new ATOM 0 HD11 LEU A 123 -9.789 7.953 2.512 1.00 0.00 H new ATOM 0 HD12 LEU A 123 -9.022 9.534 2.793 1.00 0.00 H new ATOM 0 HD13 LEU A 123 -10.610 9.444 1.994 1.00 0.00 H new ATOM 0 HD21 LEU A 123 -9.951 7.024 0.187 1.00 0.01 H new ATOM 0 HD22 LEU A 123 -10.787 8.501 -0.346 1.00 0.01 H new ATOM 0 HD23 LEU A 123 -9.317 7.958 -1.188 1.00 0.01 H new ATOM 1954 N LYS A 124 -6.885 12.381 -1.215 1.00 0.01 N ATOM 1955 CA LYS A 124 -6.685 13.762 -1.744 1.00 0.01 C ATOM 1956 C LYS A 124 -5.718 13.736 -2.933 1.00 0.01 C ATOM 1957 O LYS A 124 -5.458 14.751 -3.548 1.00 0.01 O ATOM 1958 CB LYS A 124 -6.091 14.638 -0.642 1.00 0.01 C ATOM 1959 CG LYS A 124 -7.056 14.706 0.541 1.00 0.01 C ATOM 1960 CD LYS A 124 -6.450 15.586 1.635 1.00 0.01 C ATOM 1961 CE LYS A 124 -7.408 15.661 2.824 1.00 0.01 C ATOM 1962 NZ LYS A 124 -7.363 14.384 3.589 1.00 0.01 N ATOM 0 H LYS A 124 -6.255 12.113 -0.459 1.00 0.01 H new ATOM 0 HA LYS A 124 -7.645 14.162 -2.069 1.00 0.01 H new ATOM 0 HB2 LYS A 124 -5.133 14.232 -0.319 1.00 0.01 H new ATOM 0 HB3 LYS A 124 -5.899 15.640 -1.025 1.00 0.01 H new ATOM 0 HG2 LYS A 124 -8.015 15.113 0.220 1.00 0.01 H new ATOM 0 HG3 LYS A 124 -7.247 13.705 0.927 1.00 0.01 H new ATOM 0 HD2 LYS A 124 -5.491 15.178 1.954 1.00 0.01 H new ATOM 0 HD3 LYS A 124 -6.258 16.586 1.246 1.00 0.01 H new ATOM 0 HE2 LYS A 124 -7.134 16.494 3.472 1.00 0.01 H new ATOM 0 HE3 LYS A 124 -8.423 15.850 2.474 1.00 0.01 H new ATOM 0 HZ1 LYS A 124 -8.331 14.038 3.744 1.00 0.01 H new ATOM 0 HZ2 LYS A 124 -6.824 13.676 3.051 1.00 0.01 H new ATOM 0 HZ3 LYS A 124 -6.902 14.545 4.507 1.00 0.01 H new ATOM 1976 N SER A 125 -5.175 12.595 -3.260 1.00 0.00 N ATOM 1977 CA SER A 125 -4.224 12.536 -4.406 1.00 0.01 C ATOM 1978 C SER A 125 -4.959 12.851 -5.707 1.00 0.01 C ATOM 1979 O SER A 125 -6.097 12.470 -5.901 1.00 0.01 O ATOM 1980 CB SER A 125 -3.601 11.144 -4.502 1.00 0.01 C ATOM 1981 OG SER A 125 -2.706 10.951 -3.413 1.00 0.01 O ATOM 0 H SER A 125 -5.347 11.708 -2.787 1.00 0.00 H new ATOM 0 HA SER A 125 -3.436 13.272 -4.245 1.00 0.01 H new ATOM 0 HB2 SER A 125 -4.381 10.383 -4.486 1.00 0.01 H new ATOM 0 HB3 SER A 125 -3.070 11.036 -5.447 1.00 0.01 H new ATOM 0 HG SER A 125 -1.888 11.469 -3.566 1.00 0.01 H new ATOM 1987 N ARG A 126 -4.308 13.537 -6.601 1.00 0.01 N ATOM 1988 CA ARG A 126 -4.948 13.880 -7.899 1.00 0.01 C ATOM 1989 C ARG A 126 -5.324 12.591 -8.631 1.00 0.00 C ATOM 1990 O ARG A 126 -6.371 12.497 -9.238 1.00 0.00 O ATOM 1991 CB ARG A 126 -3.969 14.692 -8.752 1.00 0.01 C ATOM 1992 CG ARG A 126 -3.640 16.029 -8.064 1.00 0.01 C ATOM 1993 CD ARG A 126 -4.878 16.939 -8.018 1.00 0.01 C ATOM 1994 NE ARG A 126 -5.614 16.866 -9.309 1.00 0.00 N ATOM 1995 CZ ARG A 126 -6.855 17.265 -9.373 1.00 0.01 C ATOM 1996 NH1 ARG A 126 -7.448 17.722 -8.304 1.00 0.01 N ATOM 1997 NH2 ARG A 126 -7.500 17.202 -10.504 1.00 0.01 N ATOM 0 H ARG A 126 -3.353 13.877 -6.488 1.00 0.01 H new ATOM 0 HA ARG A 126 -5.846 14.472 -7.721 1.00 0.01 H new ATOM 0 HB2 ARG A 126 -3.054 14.121 -8.909 1.00 0.01 H new ATOM 0 HB3 ARG A 126 -4.401 14.878 -9.735 1.00 0.01 H new ATOM 0 HG2 ARG A 126 -3.282 15.843 -7.051 1.00 0.01 H new ATOM 0 HG3 ARG A 126 -2.834 16.530 -8.600 1.00 0.01 H new ATOM 0 HD2 ARG A 126 -5.532 16.636 -7.200 1.00 0.01 H new ATOM 0 HD3 ARG A 126 -4.576 17.967 -7.820 1.00 0.01 H new ATOM 0 HE ARG A 126 -5.150 16.505 -10.142 1.00 0.00 H new ATOM 0 HH11 ARG A 126 -6.942 17.767 -7.420 1.00 0.01 H new ATOM 0 HH12 ARG A 126 -8.418 18.034 -8.353 1.00 0.01 H new ATOM 0 HH21 ARG A 126 -7.035 16.841 -11.337 1.00 0.01 H new ATOM 0 HH22 ARG A 126 -8.470 17.513 -10.556 1.00 0.01 H new ATOM 2011 N PHE A 127 -4.481 11.594 -8.580 1.00 0.01 N ATOM 2012 CA PHE A 127 -4.805 10.318 -9.276 1.00 0.01 C ATOM 2013 C PHE A 127 -6.107 9.760 -8.705 1.00 0.01 C ATOM 2014 O PHE A 127 -7.015 9.414 -9.431 1.00 0.00 O ATOM 2015 CB PHE A 127 -3.678 9.307 -9.045 1.00 0.01 C ATOM 2016 CG PHE A 127 -2.467 9.705 -9.849 1.00 0.00 C ATOM 2017 CD1 PHE A 127 -2.384 9.359 -11.202 1.00 0.01 C ATOM 2018 CD2 PHE A 127 -1.427 10.418 -9.242 1.00 0.00 C ATOM 2019 CE1 PHE A 127 -1.260 9.728 -11.949 1.00 0.01 C ATOM 2020 CE2 PHE A 127 -0.303 10.788 -9.989 1.00 0.00 C ATOM 2021 CZ PHE A 127 -0.218 10.442 -11.343 1.00 0.00 C ATOM 0 H PHE A 127 -3.587 11.609 -8.089 1.00 0.01 H new ATOM 0 HA PHE A 127 -4.914 10.500 -10.345 1.00 0.01 H new ATOM 0 HB2 PHE A 127 -3.425 9.265 -7.985 1.00 0.01 H new ATOM 0 HB3 PHE A 127 -4.007 8.309 -9.334 1.00 0.01 H new ATOM 0 HD1 PHE A 127 -3.187 8.808 -11.669 1.00 0.01 H new ATOM 0 HD2 PHE A 127 -1.492 10.683 -8.197 1.00 0.00 H new ATOM 0 HE1 PHE A 127 -1.196 9.462 -12.994 1.00 0.01 H new ATOM 0 HE2 PHE A 127 0.499 11.340 -9.521 1.00 0.00 H new ATOM 0 HZ PHE A 127 0.650 10.725 -11.920 1.00 0.00 H new ATOM 2031 N TYR A 128 -6.213 9.684 -7.410 1.00 0.01 N ATOM 2032 CA TYR A 128 -7.466 9.165 -6.801 1.00 0.01 C ATOM 2033 C TYR A 128 -8.626 10.061 -7.231 1.00 0.01 C ATOM 2034 O TYR A 128 -9.651 9.597 -7.685 1.00 0.00 O ATOM 2035 CB TYR A 128 -7.338 9.193 -5.278 1.00 0.00 C ATOM 2036 CG TYR A 128 -8.583 8.617 -4.651 1.00 0.01 C ATOM 2037 CD1 TYR A 128 -8.708 7.232 -4.495 1.00 0.01 C ATOM 2038 CD2 TYR A 128 -9.609 9.464 -4.217 1.00 0.00 C ATOM 2039 CE1 TYR A 128 -9.858 6.692 -3.907 1.00 0.01 C ATOM 2040 CE2 TYR A 128 -10.761 8.924 -3.628 1.00 0.01 C ATOM 2041 CZ TYR A 128 -10.885 7.538 -3.473 1.00 0.01 C ATOM 2042 OH TYR A 128 -12.017 7.005 -2.892 1.00 0.01 O ATOM 0 H TYR A 128 -5.487 9.958 -6.748 1.00 0.01 H new ATOM 0 HA TYR A 128 -7.645 8.141 -7.129 1.00 0.01 H new ATOM 0 HB2 TYR A 128 -6.464 8.620 -4.967 1.00 0.00 H new ATOM 0 HB3 TYR A 128 -7.187 10.217 -4.935 1.00 0.00 H new ATOM 0 HD1 TYR A 128 -7.916 6.578 -4.829 1.00 0.01 H new ATOM 0 HD2 TYR A 128 -9.513 10.533 -4.336 1.00 0.00 H new ATOM 0 HE1 TYR A 128 -9.953 5.623 -3.788 1.00 0.01 H new ATOM 0 HE2 TYR A 128 -11.553 9.577 -3.294 1.00 0.01 H new ATOM 0 HH TYR A 128 -12.631 7.729 -2.647 1.00 0.01 H new ATOM 2052 N LEU A 129 -8.461 11.348 -7.094 1.00 0.01 N ATOM 2053 CA LEU A 129 -9.544 12.287 -7.496 1.00 0.01 C ATOM 2054 C LEU A 129 -9.831 12.110 -8.986 1.00 0.01 C ATOM 2055 O LEU A 129 -10.969 12.065 -9.409 1.00 0.01 O ATOM 2056 CB LEU A 129 -9.087 13.729 -7.246 1.00 0.01 C ATOM 2057 CG LEU A 129 -8.977 14.003 -5.739 1.00 0.01 C ATOM 2058 CD1 LEU A 129 -8.244 15.331 -5.531 1.00 0.01 C ATOM 2059 CD2 LEU A 129 -10.376 14.089 -5.096 1.00 0.01 C ATOM 0 H LEU A 129 -7.621 11.790 -6.720 1.00 0.01 H new ATOM 0 HA LEU A 129 -10.442 12.079 -6.915 1.00 0.01 H new ATOM 0 HB2 LEU A 129 -8.122 13.899 -7.724 1.00 0.01 H new ATOM 0 HB3 LEU A 129 -9.794 14.425 -7.698 1.00 0.01 H new ATOM 0 HG LEU A 129 -8.429 13.186 -5.269 1.00 0.01 H new ATOM 0 HD11 LEU A 129 -8.160 15.537 -4.464 1.00 0.01 H new ATOM 0 HD12 LEU A 129 -7.248 15.269 -5.969 1.00 0.01 H new ATOM 0 HD13 LEU A 129 -8.802 16.134 -6.012 1.00 0.01 H new ATOM 0 HD21 LEU A 129 -10.274 14.284 -4.028 1.00 0.01 H new ATOM 0 HD22 LEU A 129 -10.941 14.898 -5.560 1.00 0.01 H new ATOM 0 HD23 LEU A 129 -10.903 13.147 -5.244 1.00 0.01 H new ATOM 2071 N ASP A 130 -8.803 12.001 -9.786 1.00 0.56 N ATOM 2072 CA ASP A 130 -9.014 11.823 -11.247 1.00 0.91 C ATOM 2073 C ASP A 130 -9.811 10.540 -11.478 1.00 1.05 C ATOM 2074 O ASP A 130 -10.804 10.528 -12.177 1.00 1.91 O ATOM 2075 CB ASP A 130 -7.656 11.731 -11.943 1.00 2.23 C ATOM 2076 CG ASP A 130 -7.014 13.120 -11.998 1.00 3.00 C ATOM 2077 OD1 ASP A 130 -7.746 14.085 -12.150 1.00 3.36 O ATOM 2078 OD2 ASP A 130 -5.801 13.195 -11.884 1.00 3.77 O ATOM 0 H ASP A 130 -7.828 12.028 -9.488 1.00 0.56 H new ATOM 0 HA ASP A 130 -9.566 12.670 -11.655 1.00 0.91 H new ATOM 0 HB2 ASP A 130 -7.007 11.040 -11.406 1.00 2.23 H new ATOM 0 HB3 ASP A 130 -7.778 11.335 -12.951 1.00 2.23 H new ATOM 2083 N LEU A 131 -9.402 9.462 -10.872 1.00 1.16 N ATOM 2084 CA LEU A 131 -10.156 8.191 -11.030 1.00 1.68 C ATOM 2085 C LEU A 131 -11.488 8.330 -10.293 1.00 2.00 C ATOM 2086 O LEU A 131 -12.516 7.858 -10.737 1.00 2.21 O ATOM 2087 CB LEU A 131 -9.362 7.036 -10.414 1.00 2.07 C ATOM 2088 CG LEU A 131 -8.007 6.886 -11.115 1.00 2.94 C ATOM 2089 CD1 LEU A 131 -7.175 5.833 -10.375 1.00 3.87 C ATOM 2090 CD2 LEU A 131 -8.215 6.449 -12.577 1.00 3.54 C ATOM 0 H LEU A 131 -8.578 9.407 -10.274 1.00 1.16 H new ATOM 0 HA LEU A 131 -10.321 7.986 -12.088 1.00 1.68 H new ATOM 0 HB2 LEU A 131 -9.210 7.217 -9.350 1.00 2.07 H new ATOM 0 HB3 LEU A 131 -9.929 6.109 -10.502 1.00 2.07 H new ATOM 0 HG LEU A 131 -7.485 7.843 -11.105 1.00 2.94 H new ATOM 0 HD11 LEU A 131 -6.209 5.720 -10.868 1.00 3.87 H new ATOM 0 HD12 LEU A 131 -7.021 6.150 -9.343 1.00 3.87 H new ATOM 0 HD13 LEU A 131 -7.702 4.879 -10.387 1.00 3.87 H new ATOM 0 HD21 LEU A 131 -7.247 6.345 -13.067 1.00 3.54 H new ATOM 0 HD22 LEU A 131 -8.738 5.493 -12.600 1.00 3.54 H new ATOM 0 HD23 LEU A 131 -8.808 7.199 -13.100 1.00 3.54 H new ATOM 2102 N THR A 132 -11.459 8.967 -9.151 1.00 2.68 N ATOM 2103 CA THR A 132 -12.697 9.144 -8.333 1.00 3.30 C ATOM 2104 C THR A 132 -13.255 10.555 -8.519 1.00 3.72 C ATOM 2105 O THR A 132 -13.249 11.355 -7.604 1.00 3.94 O ATOM 2106 CB THR A 132 -12.347 8.946 -6.849 1.00 3.80 C ATOM 2107 OG1 THR A 132 -11.608 10.071 -6.397 1.00 4.04 O ATOM 2108 CG2 THR A 132 -11.498 7.674 -6.643 1.00 4.63 C ATOM 0 H THR A 132 -10.618 9.378 -8.745 1.00 2.68 H new ATOM 0 HA THR A 132 -13.442 8.415 -8.652 1.00 3.30 H new ATOM 0 HB THR A 132 -13.274 8.840 -6.285 1.00 3.80 H new ATOM 0 HG1 THR A 132 -11.262 9.895 -5.497 1.00 4.04 H new ATOM 0 HG21 THR A 132 -11.265 7.559 -5.584 1.00 4.63 H new ATOM 0 HG22 THR A 132 -12.057 6.804 -6.988 1.00 4.63 H new ATOM 0 HG23 THR A 132 -10.572 7.759 -7.211 1.00 4.63 H new