USER MOD reduce.3.24.130724 H: found=0, std=0, add=1057, rem=0, adj=41 USER MOD reduce.3.24.130724 removed 1055 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 102 HIS : no HE2:sc= 0.598 K(o=2.4,f=-2.5!) USER MOD Set 1.2: A 106 TYR OH : rot -12:sc= 1.83 USER MOD Set 2.1: A -5 TYR OH : rot 180:sc= 0.587 USER MOD Set 2.2: A 100 LYS NZ :NH3+ 144:sc= 0.642 (180deg=0) USER MOD Set 3.1: A 77 GLN : amide:sc= 0.756 K(o=2,f=0.51) USER MOD Set 3.2: A 79 HIS : no HE2:sc= 0.954 K(o=2,f=-2.9) USER MOD Set 3.3: A 98 SER OG : rot 180:sc= 0.27 USER MOD Set 4.1: A 66 TYR OH : rot 14:sc= 1.14 USER MOD Set 4.2: A 70 LYS NZ :NH3+ 172:sc= 1.31 (180deg=1.18) USER MOD Single : A 0 MET CE :methyl 165:sc= 0 (180deg=-0.354) USER MOD Single : A 6 ASN : amide:sc= 0.756 K(o=0.76,f=0) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 12 MET CE :methyl 177:sc= 0 (180deg=-0.0149) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.00084 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= 0.712 K(o=0.71,f=-0.063) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= 0.0266 K(o=0.027,f=-2.7!) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.0185 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 1.09 (180deg=1.09) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ -139:sc= 2.01 (180deg=0.337) USER MOD Single : A 46 SER OG : rot 66:sc= 0.531 USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 51 LYS NZ :NH3+ -175:sc= 1.2 (180deg=1.08) USER MOD Single : A 53 THR OG1 : rot 41:sc=0.000794 USER MOD Single : A 54 TYR OH : rot 152:sc= 0.0669 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.103 USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ -175:sc= 1.97 (180deg=1.95) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= -0.0124 X(o=-0.012,f=-0.43) USER MOD Single : A 68 MET CE :methyl -168:sc= -0.0519 (180deg=-0.669) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 GLN : amide:sc= 0.913 K(o=0.91,f=-5.8!) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 CYS SG : rot 180:sc= -0.0344 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A -11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A -11 MET N :NH3+ -110:sc= 0.0717 (180deg=-0.00026) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 MET CE :methyl -179:sc= -0.0958 (180deg=-0.0982) USER MOD Single : A 109 MET CE :methyl -124:sc= -0.0472 (180deg=-0.488) USER MOD Single : A 111 SER OG : rot 77:sc= 0.434 USER MOD Single : A 112 MET CE :methyl -167:sc= -0.195 (180deg=-0.741) USER MOD Single : A 113 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 GLN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 117 GLN : amide:sc= -0.183 K(o=-0.18,f=-1.9) USER MOD Single : A 118 MET CE :methyl -176:sc= 0 (180deg=-0.0193) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A -11 1.664 -3.062 21.766 1.00 0.00 N ATOM 2 CA MET A -11 2.517 -3.210 20.555 1.00 0.00 C ATOM 3 C MET A -11 1.689 -3.066 19.272 1.00 0.00 C ATOM 4 O MET A -11 0.490 -3.360 19.298 1.00 0.00 O ATOM 5 CB MET A -11 3.292 -4.545 20.544 1.00 0.00 C ATOM 6 CG MET A -11 4.339 -4.647 21.662 1.00 0.00 C ATOM 7 SD MET A -11 5.572 -3.311 21.670 1.00 0.00 S ATOM 8 CE MET A -11 6.620 -3.878 23.038 1.00 0.00 C ATOM 0 H1 MET A -11 1.891 -2.167 22.243 1.00 0.00 H new ATOM 0 H2 MET A -11 0.662 -3.061 21.487 1.00 0.00 H new ATOM 0 H3 MET A -11 1.842 -3.855 22.415 1.00 0.00 H new ATOM 0 HA MET A -11 3.250 -2.404 20.591 1.00 0.00 H new ATOM 0 HB2 MET A -11 2.585 -5.369 20.641 1.00 0.00 H new ATOM 0 HB3 MET A -11 3.787 -4.662 19.580 1.00 0.00 H new ATOM 0 HG2 MET A -11 3.825 -4.655 22.623 1.00 0.00 H new ATOM 0 HG3 MET A -11 4.858 -5.601 21.570 1.00 0.00 H new ATOM 0 HE1 MET A -11 7.437 -3.172 23.187 1.00 0.00 H new ATOM 0 HE2 MET A -11 6.025 -3.942 23.949 1.00 0.00 H new ATOM 0 HE3 MET A -11 7.028 -4.861 22.801 1.00 0.00 H new ATOM 20 N PRO A -10 2.285 -2.624 18.143 1.00 0.00 N ATOM 21 CA PRO A -10 1.585 -2.472 16.864 1.00 0.00 C ATOM 22 C PRO A -10 0.986 -3.780 16.321 1.00 0.00 C ATOM 23 O PRO A -10 1.592 -4.851 16.427 1.00 0.00 O ATOM 24 CB PRO A -10 2.610 -1.882 15.885 1.00 0.00 C ATOM 25 CG PRO A -10 3.608 -1.178 16.803 1.00 0.00 C ATOM 26 CD PRO A -10 3.640 -2.095 18.024 1.00 0.00 C ATOM 0 HA PRO A -10 0.722 -1.821 16.999 1.00 0.00 H new ATOM 0 HB2 PRO A -10 3.090 -2.658 15.289 1.00 0.00 H new ATOM 0 HB3 PRO A -10 2.145 -1.186 15.187 1.00 0.00 H new ATOM 0 HG2 PRO A -10 4.590 -1.086 16.339 1.00 0.00 H new ATOM 0 HG3 PRO A -10 3.281 -0.171 17.061 1.00 0.00 H new ATOM 0 HD2 PRO A -10 4.366 -2.898 17.894 1.00 0.00 H new ATOM 0 HD3 PRO A -10 3.928 -1.546 18.921 1.00 0.00 H new ATOM 34 N ARG A -9 -0.201 -3.679 15.710 1.00 0.00 N ATOM 35 CA ARG A -9 -0.996 -4.793 15.149 1.00 0.00 C ATOM 36 C ARG A -9 -1.133 -4.765 13.620 1.00 0.00 C ATOM 37 O ARG A -9 -1.393 -5.806 13.018 1.00 0.00 O ATOM 38 CB ARG A -9 -2.376 -4.803 15.833 1.00 0.00 C ATOM 39 CG ARG A -9 -2.310 -5.210 17.316 1.00 0.00 C ATOM 40 CD ARG A -9 -3.629 -4.924 18.047 1.00 0.00 C ATOM 41 NE ARG A -9 -3.835 -3.472 18.251 1.00 0.00 N ATOM 42 CZ ARG A -9 -4.931 -2.767 18.030 1.00 0.00 C ATOM 43 NH1 ARG A -9 -6.027 -3.282 17.555 1.00 0.00 N ATOM 44 NH2 ARG A -9 -4.962 -1.493 18.281 1.00 0.00 N ATOM 0 H ARG A -9 -0.661 -2.777 15.584 1.00 0.00 H new ATOM 0 HA ARG A -9 -0.456 -5.716 15.357 1.00 0.00 H new ATOM 0 HB2 ARG A -9 -2.822 -3.811 15.754 1.00 0.00 H new ATOM 0 HB3 ARG A -9 -3.033 -5.491 15.302 1.00 0.00 H new ATOM 0 HG2 ARG A -9 -2.076 -6.272 17.391 1.00 0.00 H new ATOM 0 HG3 ARG A -9 -1.499 -4.670 17.805 1.00 0.00 H new ATOM 0 HD2 ARG A -9 -4.460 -5.333 17.472 1.00 0.00 H new ATOM 0 HD3 ARG A -9 -3.628 -5.431 19.012 1.00 0.00 H new ATOM 0 HE ARG A -9 -3.032 -2.952 18.606 1.00 0.00 H new ATOM 0 HH11 ARG A -9 -6.069 -4.277 17.334 1.00 0.00 H new ATOM 0 HH12 ARG A -9 -6.844 -2.691 17.404 1.00 0.00 H new ATOM 0 HH21 ARG A -9 -4.135 -1.026 18.653 1.00 0.00 H new ATOM 0 HH22 ARG A -9 -5.814 -0.959 18.106 1.00 0.00 H new ATOM 58 N PHE A -8 -0.922 -3.607 12.985 1.00 0.00 N ATOM 59 CA PHE A -8 -1.002 -3.447 11.525 1.00 0.00 C ATOM 60 C PHE A -8 -0.139 -4.397 10.682 1.00 0.00 C ATOM 61 O PHE A -8 -0.625 -5.044 9.753 1.00 0.00 O ATOM 62 CB PHE A -8 -0.823 -1.975 11.112 1.00 0.00 C ATOM 63 CG PHE A -8 -0.528 -1.766 9.633 1.00 0.00 C ATOM 64 CD1 PHE A -8 -1.586 -1.690 8.709 1.00 0.00 C ATOM 65 CD2 PHE A -8 0.803 -1.700 9.173 1.00 0.00 C ATOM 66 CE1 PHE A -8 -1.317 -1.556 7.335 1.00 0.00 C ATOM 67 CE2 PHE A -8 1.071 -1.573 7.797 1.00 0.00 C ATOM 68 CZ PHE A -8 0.011 -1.500 6.879 1.00 0.00 C ATOM 0 H PHE A -8 -0.688 -2.743 13.474 1.00 0.00 H new ATOM 0 HA PHE A -8 -2.016 -3.764 11.282 1.00 0.00 H new ATOM 0 HB2 PHE A -8 -1.728 -1.426 11.370 1.00 0.00 H new ATOM 0 HB3 PHE A -8 -0.011 -1.543 11.696 1.00 0.00 H new ATOM 0 HD1 PHE A -8 -2.608 -1.735 9.056 1.00 0.00 H new ATOM 0 HD2 PHE A -8 1.619 -1.747 9.878 1.00 0.00 H new ATOM 0 HE1 PHE A -8 -2.132 -1.496 6.629 1.00 0.00 H new ATOM 0 HE2 PHE A -8 2.092 -1.532 7.447 1.00 0.00 H new ATOM 0 HZ PHE A -8 0.216 -1.401 5.823 1.00 0.00 H new ATOM 78 N TRP A -7 1.152 -4.492 11.021 1.00 0.00 N ATOM 79 CA TRP A -7 2.132 -5.199 10.193 1.00 0.00 C ATOM 80 C TRP A -7 1.922 -6.717 10.152 1.00 0.00 C ATOM 81 O TRP A -7 2.162 -7.332 9.119 1.00 0.00 O ATOM 82 CB TRP A -7 3.551 -4.811 10.618 1.00 0.00 C ATOM 83 CG TRP A -7 4.655 -5.479 9.852 1.00 0.00 C ATOM 84 CD1 TRP A -7 5.299 -6.607 10.231 1.00 0.00 C ATOM 85 CD2 TRP A -7 5.075 -5.238 8.469 1.00 0.00 C ATOM 86 NE1 TRP A -7 6.168 -7.009 9.236 1.00 0.00 N ATOM 87 CE2 TRP A -7 6.058 -6.212 8.116 1.00 0.00 C ATOM 88 CE3 TRP A -7 4.726 -4.295 7.475 1.00 0.00 C ATOM 89 CZ2 TRP A -7 6.680 -6.237 6.858 1.00 0.00 C ATOM 90 CZ3 TRP A -7 5.351 -4.306 6.212 1.00 0.00 C ATOM 91 CH2 TRP A -7 6.322 -5.273 5.901 1.00 0.00 C ATOM 0 H TRP A -7 1.543 -4.084 11.870 1.00 0.00 H new ATOM 0 HA TRP A -7 1.980 -4.878 9.163 1.00 0.00 H new ATOM 0 HB2 TRP A -7 3.661 -3.731 10.515 1.00 0.00 H new ATOM 0 HB3 TRP A -7 3.672 -5.044 11.676 1.00 0.00 H new ATOM 0 HD1 TRP A -7 5.155 -7.117 11.172 1.00 0.00 H new ATOM 0 HE1 TRP A -7 6.811 -7.797 9.319 1.00 0.00 H new ATOM 0 HE3 TRP A -7 3.969 -3.555 7.687 1.00 0.00 H new ATOM 0 HZ2 TRP A -7 7.423 -6.987 6.629 1.00 0.00 H new ATOM 0 HZ3 TRP A -7 5.081 -3.564 5.476 1.00 0.00 H new ATOM 0 HH2 TRP A -7 6.792 -5.275 4.929 1.00 0.00 H new ATOM 102 N GLU A -6 1.392 -7.328 11.216 1.00 0.00 N ATOM 103 CA GLU A -6 1.021 -8.755 11.206 1.00 0.00 C ATOM 104 C GLU A -6 -0.097 -9.043 10.187 1.00 0.00 C ATOM 105 O GLU A -6 -0.024 -10.026 9.446 1.00 0.00 O ATOM 106 CB GLU A -6 0.599 -9.214 12.611 1.00 0.00 C ATOM 107 CG GLU A -6 1.748 -9.117 13.630 1.00 0.00 C ATOM 108 CD GLU A -6 1.428 -9.766 14.995 1.00 0.00 C ATOM 109 OE1 GLU A -6 0.267 -10.164 15.260 1.00 0.00 O ATOM 110 OE2 GLU A -6 2.359 -9.882 15.830 1.00 0.00 O ATOM 0 H GLU A -6 1.208 -6.857 12.102 1.00 0.00 H new ATOM 0 HA GLU A -6 1.901 -9.322 10.902 1.00 0.00 H new ATOM 0 HB2 GLU A -6 -0.238 -8.606 12.953 1.00 0.00 H new ATOM 0 HB3 GLU A -6 0.246 -10.244 12.563 1.00 0.00 H new ATOM 0 HG2 GLU A -6 2.634 -9.593 13.211 1.00 0.00 H new ATOM 0 HG3 GLU A -6 1.995 -8.067 13.787 1.00 0.00 H new ATOM 117 N TYR A -5 -1.094 -8.153 10.091 1.00 0.00 N ATOM 118 CA TYR A -5 -2.082 -8.166 9.010 1.00 0.00 C ATOM 119 C TYR A -5 -1.536 -7.899 7.604 1.00 0.00 C ATOM 120 O TYR A -5 -1.898 -8.578 6.643 1.00 0.00 O ATOM 121 CB TYR A -5 -3.296 -7.284 9.338 1.00 0.00 C ATOM 122 CG TYR A -5 -4.344 -7.955 10.200 1.00 0.00 C ATOM 123 CD1 TYR A -5 -5.223 -8.878 9.605 1.00 0.00 C ATOM 124 CD2 TYR A -5 -4.453 -7.657 11.573 1.00 0.00 C ATOM 125 CE1 TYR A -5 -6.215 -9.507 10.379 1.00 0.00 C ATOM 126 CE2 TYR A -5 -5.455 -8.276 12.349 1.00 0.00 C ATOM 127 CZ TYR A -5 -6.343 -9.200 11.752 1.00 0.00 C ATOM 128 OH TYR A -5 -7.322 -9.800 12.485 1.00 0.00 O ATOM 0 H TYR A -5 -1.236 -7.401 10.766 1.00 0.00 H new ATOM 0 HA TYR A -5 -2.412 -9.204 8.964 1.00 0.00 H new ATOM 0 HB2 TYR A -5 -2.949 -6.384 9.845 1.00 0.00 H new ATOM 0 HB3 TYR A -5 -3.761 -6.965 8.405 1.00 0.00 H new ATOM 0 HD1 TYR A -5 -5.136 -9.104 8.553 1.00 0.00 H new ATOM 0 HD2 TYR A -5 -3.771 -6.956 12.030 1.00 0.00 H new ATOM 0 HE1 TYR A -5 -6.880 -10.226 9.923 1.00 0.00 H new ATOM 0 HE2 TYR A -5 -5.544 -8.044 13.400 1.00 0.00 H new ATOM 0 HH TYR A -5 -7.277 -9.484 13.412 1.00 0.00 H new ATOM 138 N TRP A -4 -0.631 -6.927 7.482 1.00 0.00 N ATOM 139 CA TRP A -4 -0.052 -6.528 6.199 1.00 0.00 C ATOM 140 C TRP A -4 0.909 -7.593 5.638 1.00 0.00 C ATOM 141 O TRP A -4 0.913 -7.860 4.436 1.00 0.00 O ATOM 142 CB TRP A -4 0.650 -5.181 6.389 1.00 0.00 C ATOM 143 CG TRP A -4 1.019 -4.538 5.098 1.00 0.00 C ATOM 144 CD1 TRP A -4 2.172 -4.745 4.425 1.00 0.00 C ATOM 145 CD2 TRP A -4 0.126 -3.863 4.159 1.00 0.00 C ATOM 146 NE1 TRP A -4 2.084 -4.157 3.180 1.00 0.00 N ATOM 147 CE2 TRP A -4 0.836 -3.630 2.946 1.00 0.00 C ATOM 148 CE3 TRP A -4 -1.220 -3.441 4.204 1.00 0.00 C ATOM 149 CZ2 TRP A -4 0.251 -3.009 1.836 1.00 0.00 C ATOM 150 CZ3 TRP A -4 -1.824 -2.823 3.092 1.00 0.00 C ATOM 151 CH2 TRP A -4 -1.093 -2.603 1.911 1.00 0.00 C ATOM 0 H TRP A -4 -0.277 -6.392 8.275 1.00 0.00 H new ATOM 0 HA TRP A -4 -0.848 -6.430 5.461 1.00 0.00 H new ATOM 0 HB2 TRP A -4 -0.002 -4.512 6.950 1.00 0.00 H new ATOM 0 HB3 TRP A -4 1.549 -5.326 6.988 1.00 0.00 H new ATOM 0 HD1 TRP A -4 3.028 -5.285 4.802 1.00 0.00 H new ATOM 0 HE1 TRP A -4 2.854 -4.118 2.512 1.00 0.00 H new ATOM 0 HE3 TRP A -4 -1.796 -3.594 5.105 1.00 0.00 H new ATOM 0 HZ2 TRP A -4 0.824 -2.844 0.935 1.00 0.00 H new ATOM 0 HZ3 TRP A -4 -2.858 -2.515 3.147 1.00 0.00 H new ATOM 0 HH2 TRP A -4 -1.562 -2.124 1.065 1.00 0.00 H new ATOM 162 N LEU A -3 1.673 -8.276 6.496 1.00 0.00 N ATOM 163 CA LEU A -3 2.570 -9.370 6.111 1.00 0.00 C ATOM 164 C LEU A -3 1.808 -10.586 5.545 1.00 0.00 C ATOM 165 O LEU A -3 2.286 -11.262 4.632 1.00 0.00 O ATOM 166 CB LEU A -3 3.413 -9.747 7.346 1.00 0.00 C ATOM 167 CG LEU A -3 4.597 -10.678 7.037 1.00 0.00 C ATOM 168 CD1 LEU A -3 5.742 -9.895 6.389 1.00 0.00 C ATOM 169 CD2 LEU A -3 5.123 -11.299 8.332 1.00 0.00 C ATOM 0 H LEU A -3 1.686 -8.080 7.497 1.00 0.00 H new ATOM 0 HA LEU A -3 3.220 -9.037 5.302 1.00 0.00 H new ATOM 0 HB2 LEU A -3 3.792 -8.835 7.806 1.00 0.00 H new ATOM 0 HB3 LEU A -3 2.767 -10.229 8.080 1.00 0.00 H new ATOM 0 HG LEU A -3 4.246 -11.453 6.356 1.00 0.00 H new ATOM 0 HD11 LEU A -3 6.571 -10.571 6.178 1.00 0.00 H new ATOM 0 HD12 LEU A -3 5.394 -9.445 5.459 1.00 0.00 H new ATOM 0 HD13 LEU A -3 6.077 -9.111 7.068 1.00 0.00 H new ATOM 0 HD21 LEU A -3 5.962 -11.957 8.105 1.00 0.00 H new ATOM 0 HD22 LEU A -3 5.454 -10.509 9.006 1.00 0.00 H new ATOM 0 HD23 LEU A -3 4.329 -11.874 8.809 1.00 0.00 H new ATOM 181 N ARG A -2 0.587 -10.831 6.043 1.00 0.00 N ATOM 182 CA ARG A -2 -0.301 -11.922 5.610 1.00 0.00 C ATOM 183 C ARG A -2 -0.730 -11.757 4.147 1.00 0.00 C ATOM 184 O ARG A -2 -0.908 -12.756 3.452 1.00 0.00 O ATOM 185 CB ARG A -2 -1.511 -11.938 6.567 1.00 0.00 C ATOM 186 CG ARG A -2 -2.424 -13.167 6.482 1.00 0.00 C ATOM 187 CD ARG A -2 -1.806 -14.418 7.114 1.00 0.00 C ATOM 188 NE ARG A -2 -2.781 -15.527 7.119 1.00 0.00 N ATOM 189 CZ ARG A -2 -2.537 -16.807 6.901 1.00 0.00 C ATOM 190 NH1 ARG A -2 -1.332 -17.287 6.803 1.00 0.00 N ATOM 191 NH2 ARG A -2 -3.514 -17.651 6.748 1.00 0.00 N ATOM 0 H ARG A -2 0.177 -10.258 6.781 1.00 0.00 H new ATOM 0 HA ARG A -2 0.223 -12.876 5.655 1.00 0.00 H new ATOM 0 HB2 ARG A -2 -1.141 -11.856 7.589 1.00 0.00 H new ATOM 0 HB3 ARG A -2 -2.113 -11.050 6.374 1.00 0.00 H new ATOM 0 HG2 ARG A -2 -3.369 -12.945 6.978 1.00 0.00 H new ATOM 0 HG3 ARG A -2 -2.653 -13.371 5.436 1.00 0.00 H new ATOM 0 HD2 ARG A -2 -0.915 -14.711 6.559 1.00 0.00 H new ATOM 0 HD3 ARG A -2 -1.489 -14.199 8.134 1.00 0.00 H new ATOM 0 HE ARG A -2 -3.751 -15.277 7.312 1.00 0.00 H new ATOM 0 HH11 ARG A -2 -0.527 -16.667 6.895 1.00 0.00 H new ATOM 0 HH12 ARG A -2 -1.192 -18.283 6.634 1.00 0.00 H new ATOM 0 HH21 ARG A -2 -4.480 -17.327 6.796 1.00 0.00 H new ATOM 0 HH22 ARG A -2 -3.314 -18.637 6.580 1.00 0.00 H new ATOM 205 N LEU A -1 -0.839 -10.514 3.661 1.00 0.00 N ATOM 206 CA LEU A -1 -1.097 -10.205 2.251 1.00 0.00 C ATOM 207 C LEU A -1 0.064 -10.645 1.349 1.00 0.00 C ATOM 208 O LEU A -1 -0.158 -11.385 0.392 1.00 0.00 O ATOM 209 CB LEU A -1 -1.327 -8.697 2.055 1.00 0.00 C ATOM 210 CG LEU A -1 -2.584 -8.099 2.703 1.00 0.00 C ATOM 211 CD1 LEU A -1 -2.546 -6.591 2.473 1.00 0.00 C ATOM 212 CD2 LEU A -1 -3.871 -8.646 2.083 1.00 0.00 C ATOM 0 H LEU A -1 -0.749 -9.683 4.246 1.00 0.00 H new ATOM 0 HA LEU A -1 -1.993 -10.758 1.969 1.00 0.00 H new ATOM 0 HB2 LEU A -1 -0.458 -8.167 2.446 1.00 0.00 H new ATOM 0 HB3 LEU A -1 -1.368 -8.496 0.985 1.00 0.00 H new ATOM 0 HG LEU A -1 -2.586 -8.360 3.761 1.00 0.00 H new ATOM 0 HD11 LEU A -1 -3.427 -6.132 2.922 1.00 0.00 H new ATOM 0 HD12 LEU A -1 -1.648 -6.176 2.930 1.00 0.00 H new ATOM 0 HD13 LEU A -1 -2.536 -6.386 1.402 1.00 0.00 H new ATOM 0 HD21 LEU A -1 -4.732 -8.194 2.574 1.00 0.00 H new ATOM 0 HD22 LEU A -1 -3.893 -8.407 1.020 1.00 0.00 H new ATOM 0 HD23 LEU A -1 -3.906 -9.728 2.213 1.00 0.00 H new ATOM 224 N MET A 0 1.294 -10.207 1.640 1.00 0.00 N ATOM 225 CA MET A 0 2.444 -10.455 0.755 1.00 0.00 C ATOM 226 C MET A 0 2.840 -11.941 0.699 1.00 0.00 C ATOM 227 O MET A 0 3.331 -12.411 -0.325 1.00 0.00 O ATOM 228 CB MET A 0 3.628 -9.555 1.149 1.00 0.00 C ATOM 229 CG MET A 0 4.288 -9.903 2.490 1.00 0.00 C ATOM 230 SD MET A 0 5.961 -9.245 2.719 1.00 0.00 S ATOM 231 CE MET A 0 5.594 -7.484 2.653 1.00 0.00 C ATOM 0 H MET A 0 1.522 -9.678 2.482 1.00 0.00 H new ATOM 0 HA MET A 0 2.141 -10.193 -0.259 1.00 0.00 H new ATOM 0 HB2 MET A 0 4.383 -9.609 0.365 1.00 0.00 H new ATOM 0 HB3 MET A 0 3.283 -8.522 1.188 1.00 0.00 H new ATOM 0 HG2 MET A 0 3.655 -9.531 3.296 1.00 0.00 H new ATOM 0 HG3 MET A 0 4.325 -10.988 2.588 1.00 0.00 H new ATOM 0 HE1 MET A 0 6.445 -6.920 3.036 1.00 0.00 H new ATOM 0 HE2 MET A 0 5.400 -7.191 1.621 1.00 0.00 H new ATOM 0 HE3 MET A 0 4.715 -7.272 3.262 1.00 0.00 H new ATOM 241 N GLU A 1 2.604 -12.693 1.776 1.00 0.00 N ATOM 242 CA GLU A 1 2.797 -14.151 1.821 1.00 0.00 C ATOM 243 C GLU A 1 1.665 -14.956 1.144 1.00 0.00 C ATOM 244 O GLU A 1 1.831 -16.151 0.883 1.00 0.00 O ATOM 245 CB GLU A 1 3.006 -14.582 3.286 1.00 0.00 C ATOM 246 CG GLU A 1 4.339 -14.081 3.883 1.00 0.00 C ATOM 247 CD GLU A 1 5.603 -14.587 3.150 1.00 0.00 C ATOM 248 OE1 GLU A 1 5.562 -15.635 2.463 1.00 0.00 O ATOM 249 OE2 GLU A 1 6.663 -13.923 3.247 1.00 0.00 O ATOM 0 H GLU A 1 2.268 -12.304 2.657 1.00 0.00 H new ATOM 0 HA GLU A 1 3.685 -14.383 1.233 1.00 0.00 H new ATOM 0 HB2 GLU A 1 2.181 -14.205 3.890 1.00 0.00 H new ATOM 0 HB3 GLU A 1 2.975 -15.670 3.346 1.00 0.00 H new ATOM 0 HG2 GLU A 1 4.340 -12.991 3.872 1.00 0.00 H new ATOM 0 HG3 GLU A 1 4.393 -14.389 4.927 1.00 0.00 H new ATOM 256 N GLY A 2 0.529 -14.316 0.844 1.00 0.00 N ATOM 257 CA GLY A 2 -0.634 -14.899 0.165 1.00 0.00 C ATOM 258 C GLY A 2 -0.586 -14.774 -1.365 1.00 0.00 C ATOM 259 O GLY A 2 0.406 -15.127 -2.007 1.00 0.00 O ATOM 0 H GLY A 2 0.389 -13.333 1.079 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -0.708 -15.953 0.432 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -1.538 -14.413 0.532 1.00 0.00 H new ATOM 263 N GLY A 3 -1.680 -14.285 -1.959 1.00 0.00 N ATOM 264 CA GLY A 3 -1.799 -13.991 -3.396 1.00 0.00 C ATOM 265 C GLY A 3 -2.082 -15.194 -4.310 1.00 0.00 C ATOM 266 O GLY A 3 -2.045 -15.048 -5.534 1.00 0.00 O ATOM 0 H GLY A 3 -2.533 -14.076 -1.440 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -2.597 -13.261 -3.532 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -0.875 -13.518 -3.727 1.00 0.00 H new ATOM 270 N GLY A 4 -2.354 -16.378 -3.746 1.00 0.00 N ATOM 271 CA GLY A 4 -2.670 -17.598 -4.504 1.00 0.00 C ATOM 272 C GLY A 4 -4.055 -17.585 -5.170 1.00 0.00 C ATOM 273 O GLY A 4 -4.956 -16.840 -4.780 1.00 0.00 O ATOM 0 H GLY A 4 -2.361 -16.518 -2.736 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -1.911 -17.741 -5.273 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -2.610 -18.455 -3.833 1.00 0.00 H new ATOM 277 N GLU A 5 -4.232 -18.438 -6.182 1.00 0.00 N ATOM 278 CA GLU A 5 -5.396 -18.427 -7.087 1.00 0.00 C ATOM 279 C GLU A 5 -6.738 -18.839 -6.451 1.00 0.00 C ATOM 280 O GLU A 5 -7.783 -18.581 -7.048 1.00 0.00 O ATOM 281 CB GLU A 5 -5.094 -19.285 -8.331 1.00 0.00 C ATOM 282 CG GLU A 5 -4.961 -20.791 -8.042 1.00 0.00 C ATOM 283 CD GLU A 5 -4.547 -21.626 -9.276 1.00 0.00 C ATOM 284 OE1 GLU A 5 -4.462 -21.097 -10.412 1.00 0.00 O ATOM 285 OE2 GLU A 5 -4.300 -22.846 -9.110 1.00 0.00 O ATOM 0 H GLU A 5 -3.560 -19.172 -6.404 1.00 0.00 H new ATOM 0 HA GLU A 5 -5.540 -17.382 -7.362 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -5.888 -19.136 -9.063 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -4.169 -18.931 -8.787 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -4.224 -20.937 -7.252 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -5.912 -21.165 -7.664 1.00 0.00 H new ATOM 292 N ASN A 6 -6.754 -19.434 -5.250 1.00 0.00 N ATOM 293 CA ASN A 6 -7.987 -19.883 -4.581 1.00 0.00 C ATOM 294 C ASN A 6 -9.030 -18.770 -4.364 1.00 0.00 C ATOM 295 O ASN A 6 -10.232 -19.036 -4.396 1.00 0.00 O ATOM 296 CB ASN A 6 -7.644 -20.559 -3.243 1.00 0.00 C ATOM 297 CG ASN A 6 -7.079 -21.954 -3.424 1.00 0.00 C ATOM 298 OD1 ASN A 6 -5.903 -22.141 -3.706 1.00 0.00 O ATOM 299 ND2 ASN A 6 -7.883 -22.977 -3.241 1.00 0.00 N ATOM 0 H ASN A 6 -5.908 -19.619 -4.711 1.00 0.00 H new ATOM 0 HA ASN A 6 -8.453 -20.598 -5.259 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -6.922 -19.945 -2.704 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -8.541 -20.611 -2.626 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -7.527 -23.928 -3.334 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -8.863 -22.820 -3.006 1.00 0.00 H new ATOM 306 N LEU A 7 -8.589 -17.519 -4.187 1.00 0.00 N ATOM 307 CA LEU A 7 -9.481 -16.355 -4.073 1.00 0.00 C ATOM 308 C LEU A 7 -10.218 -16.033 -5.385 1.00 0.00 C ATOM 309 O LEU A 7 -11.279 -15.409 -5.342 1.00 0.00 O ATOM 310 CB LEU A 7 -8.661 -15.138 -3.609 1.00 0.00 C ATOM 311 CG LEU A 7 -8.154 -15.253 -2.161 1.00 0.00 C ATOM 312 CD1 LEU A 7 -7.108 -14.173 -1.903 1.00 0.00 C ATOM 313 CD2 LEU A 7 -9.275 -15.081 -1.134 1.00 0.00 C ATOM 0 H LEU A 7 -7.599 -17.283 -4.118 1.00 0.00 H new ATOM 0 HA LEU A 7 -10.251 -16.598 -3.340 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -7.808 -15.010 -4.275 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -9.274 -14.241 -3.700 1.00 0.00 H new ATOM 0 HG LEU A 7 -7.734 -16.252 -2.048 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -6.748 -14.253 -0.877 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -6.273 -14.303 -2.592 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -7.554 -13.190 -2.055 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -8.864 -15.171 -0.128 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -9.730 -14.098 -1.253 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -10.030 -15.852 -1.288 1.00 0.00 H new ATOM 325 N TYR A 8 -9.684 -16.461 -6.531 1.00 0.00 N ATOM 326 CA TYR A 8 -10.249 -16.244 -7.867 1.00 0.00 C ATOM 327 C TYR A 8 -10.884 -17.477 -8.534 1.00 0.00 C ATOM 328 O TYR A 8 -11.770 -17.340 -9.380 1.00 0.00 O ATOM 329 CB TYR A 8 -9.194 -15.574 -8.757 1.00 0.00 C ATOM 330 CG TYR A 8 -8.849 -14.158 -8.330 1.00 0.00 C ATOM 331 CD1 TYR A 8 -9.708 -13.086 -8.648 1.00 0.00 C ATOM 332 CD2 TYR A 8 -7.674 -13.918 -7.587 1.00 0.00 C ATOM 333 CE1 TYR A 8 -9.387 -11.777 -8.236 1.00 0.00 C ATOM 334 CE2 TYR A 8 -7.349 -12.611 -7.175 1.00 0.00 C ATOM 335 CZ TYR A 8 -8.204 -11.535 -7.504 1.00 0.00 C ATOM 336 OH TYR A 8 -7.893 -10.269 -7.115 1.00 0.00 O ATOM 0 H TYR A 8 -8.812 -16.989 -6.556 1.00 0.00 H new ATOM 0 HA TYR A 8 -11.104 -15.581 -7.734 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -8.287 -16.178 -8.749 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -9.556 -15.557 -9.785 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -10.613 -13.268 -9.208 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -7.021 -14.740 -7.333 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -10.047 -10.958 -8.481 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -6.447 -12.431 -6.608 1.00 0.00 H new ATOM 0 HH TYR A 8 -7.047 -10.277 -6.620 1.00 0.00 H new ATOM 346 N PHE A 9 -10.451 -18.676 -8.127 1.00 0.00 N ATOM 347 CA PHE A 9 -10.855 -19.974 -8.674 1.00 0.00 C ATOM 348 C PHE A 9 -11.174 -21.054 -7.627 1.00 0.00 C ATOM 349 O PHE A 9 -10.349 -21.334 -6.757 1.00 0.00 O ATOM 350 CB PHE A 9 -9.817 -20.465 -9.696 1.00 0.00 C ATOM 351 CG PHE A 9 -9.774 -19.669 -10.988 1.00 0.00 C ATOM 352 CD1 PHE A 9 -10.686 -19.942 -12.026 1.00 0.00 C ATOM 353 CD2 PHE A 9 -8.819 -18.647 -11.150 1.00 0.00 C ATOM 354 CE1 PHE A 9 -10.641 -19.197 -13.219 1.00 0.00 C ATOM 355 CE2 PHE A 9 -8.774 -17.902 -12.343 1.00 0.00 C ATOM 356 CZ PHE A 9 -9.686 -18.178 -13.377 1.00 0.00 C ATOM 0 H PHE A 9 -9.775 -18.771 -7.369 1.00 0.00 H new ATOM 0 HA PHE A 9 -11.808 -19.800 -9.173 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -8.830 -20.436 -9.234 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -10.027 -21.508 -9.934 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -11.421 -20.724 -11.906 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -8.119 -18.434 -10.356 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -11.341 -19.408 -14.014 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -8.040 -17.119 -12.464 1.00 0.00 H new ATOM 0 HZ PHE A 9 -9.653 -17.607 -14.293 1.00 0.00 H new ATOM 366 N GLN A 10 -12.354 -21.678 -7.731 1.00 0.00 N ATOM 367 CA GLN A 10 -12.874 -22.795 -6.911 1.00 0.00 C ATOM 368 C GLN A 10 -13.038 -22.567 -5.388 1.00 0.00 C ATOM 369 O GLN A 10 -13.848 -23.261 -4.765 1.00 0.00 O ATOM 370 CB GLN A 10 -12.098 -24.093 -7.207 1.00 0.00 C ATOM 371 CG GLN A 10 -12.224 -24.539 -8.677 1.00 0.00 C ATOM 372 CD GLN A 10 -11.607 -25.910 -8.965 1.00 0.00 C ATOM 373 OE1 GLN A 10 -10.983 -26.557 -8.131 1.00 0.00 O ATOM 374 NE2 GLN A 10 -11.757 -26.416 -10.172 1.00 0.00 N ATOM 0 H GLN A 10 -13.027 -21.398 -8.444 1.00 0.00 H new ATOM 0 HA GLN A 10 -13.910 -22.877 -7.239 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -11.045 -23.945 -6.965 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -12.466 -24.888 -6.558 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -13.279 -24.562 -8.950 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -11.746 -23.795 -9.314 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -12.272 -25.896 -10.882 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -11.358 -27.328 -10.396 1.00 0.00 H new ATOM 383 N GLY A 11 -12.342 -21.605 -4.769 1.00 0.00 N ATOM 384 CA GLY A 11 -12.461 -21.290 -3.341 1.00 0.00 C ATOM 385 C GLY A 11 -11.897 -22.394 -2.437 1.00 0.00 C ATOM 386 O GLY A 11 -10.688 -22.640 -2.430 1.00 0.00 O ATOM 0 H GLY A 11 -11.669 -21.014 -5.256 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -11.938 -20.356 -3.135 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -13.511 -21.128 -3.096 1.00 0.00 H new ATOM 390 N MET A 12 -12.788 -23.044 -1.679 1.00 0.00 N ATOM 391 CA MET A 12 -12.559 -24.106 -0.681 1.00 0.00 C ATOM 392 C MET A 12 -11.745 -23.697 0.564 1.00 0.00 C ATOM 393 O MET A 12 -12.199 -23.939 1.687 1.00 0.00 O ATOM 394 CB MET A 12 -12.024 -25.378 -1.366 1.00 0.00 C ATOM 395 CG MET A 12 -11.853 -26.550 -0.390 1.00 0.00 C ATOM 396 SD MET A 12 -11.436 -28.139 -1.165 1.00 0.00 S ATOM 397 CE MET A 12 -9.751 -27.794 -1.747 1.00 0.00 C ATOM 0 H MET A 12 -13.781 -22.822 -1.752 1.00 0.00 H new ATOM 0 HA MET A 12 -13.538 -24.323 -0.254 1.00 0.00 H new ATOM 0 HB2 MET A 12 -12.707 -25.671 -2.163 1.00 0.00 H new ATOM 0 HB3 MET A 12 -11.065 -25.157 -1.834 1.00 0.00 H new ATOM 0 HG2 MET A 12 -11.072 -26.296 0.326 1.00 0.00 H new ATOM 0 HG3 MET A 12 -12.777 -26.670 0.176 1.00 0.00 H new ATOM 0 HE1 MET A 12 -9.332 -28.692 -2.201 1.00 0.00 H new ATOM 0 HE2 MET A 12 -9.778 -26.993 -2.486 1.00 0.00 H new ATOM 0 HE3 MET A 12 -9.130 -27.490 -0.904 1.00 0.00 H new ATOM 407 N SER A 13 -10.585 -23.056 0.390 1.00 0.00 N ATOM 408 CA SER A 13 -9.666 -22.654 1.470 1.00 0.00 C ATOM 409 C SER A 13 -8.892 -21.373 1.137 1.00 0.00 C ATOM 410 O SER A 13 -8.735 -21.002 -0.029 1.00 0.00 O ATOM 411 CB SER A 13 -8.641 -23.762 1.767 1.00 0.00 C ATOM 412 OG SER A 13 -9.254 -24.978 2.172 1.00 0.00 O ATOM 0 H SER A 13 -10.245 -22.792 -0.535 1.00 0.00 H new ATOM 0 HA SER A 13 -10.296 -22.473 2.341 1.00 0.00 H new ATOM 0 HB2 SER A 13 -8.038 -23.942 0.877 1.00 0.00 H new ATOM 0 HB3 SER A 13 -7.962 -23.423 2.549 1.00 0.00 H new ATOM 0 HG SER A 13 -8.563 -25.650 2.347 1.00 0.00 H new ATOM 418 N VAL A 14 -8.357 -20.718 2.172 1.00 0.00 N ATOM 419 CA VAL A 14 -7.416 -19.589 2.052 1.00 0.00 C ATOM 420 C VAL A 14 -6.104 -20.021 1.370 1.00 0.00 C ATOM 421 O VAL A 14 -5.553 -21.055 1.762 1.00 0.00 O ATOM 422 CB VAL A 14 -7.138 -18.942 3.429 1.00 0.00 C ATOM 423 CG1 VAL A 14 -6.417 -17.593 3.318 1.00 0.00 C ATOM 424 CG2 VAL A 14 -8.429 -18.716 4.229 1.00 0.00 C ATOM 0 H VAL A 14 -8.568 -20.960 3.140 1.00 0.00 H new ATOM 0 HA VAL A 14 -7.887 -18.837 1.419 1.00 0.00 H new ATOM 0 HB VAL A 14 -6.494 -19.654 3.946 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -6.249 -17.187 4.316 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -5.459 -17.733 2.817 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -7.030 -16.899 2.743 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -8.187 -18.260 5.189 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -9.092 -18.056 3.670 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -8.925 -19.672 4.396 1.00 0.00 H new ATOM 434 N PRO A 15 -5.563 -19.273 0.384 1.00 0.00 N ATOM 435 CA PRO A 15 -4.311 -19.642 -0.291 1.00 0.00 C ATOM 436 C PRO A 15 -3.085 -19.609 0.640 1.00 0.00 C ATOM 437 O PRO A 15 -2.137 -20.372 0.449 1.00 0.00 O ATOM 438 CB PRO A 15 -4.163 -18.638 -1.438 1.00 0.00 C ATOM 439 CG PRO A 15 -4.963 -17.419 -0.979 1.00 0.00 C ATOM 440 CD PRO A 15 -6.110 -18.051 -0.195 1.00 0.00 C ATOM 0 HA PRO A 15 -4.356 -20.673 -0.641 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -3.117 -18.385 -1.612 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -4.553 -19.041 -2.372 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -4.365 -16.752 -0.357 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -5.324 -16.830 -1.822 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -6.472 -17.377 0.582 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -6.956 -18.270 -0.846 1.00 0.00 H new ATOM 448 N THR A 16 -3.103 -18.742 1.657 1.00 0.00 N ATOM 449 CA THR A 16 -2.058 -18.552 2.677 1.00 0.00 C ATOM 450 C THR A 16 -1.903 -19.657 3.735 1.00 0.00 C ATOM 451 O THR A 16 -2.018 -19.423 4.941 1.00 0.00 O ATOM 452 CB THR A 16 -2.060 -17.125 3.262 1.00 0.00 C ATOM 453 OG1 THR A 16 -2.636 -16.195 2.367 1.00 0.00 O ATOM 454 CG2 THR A 16 -0.644 -16.656 3.590 1.00 0.00 C ATOM 0 H THR A 16 -3.894 -18.114 1.802 1.00 0.00 H new ATOM 0 HA THR A 16 -1.135 -18.669 2.110 1.00 0.00 H new ATOM 0 HB THR A 16 -2.655 -17.170 4.174 1.00 0.00 H new ATOM 0 HG1 THR A 16 -2.623 -15.302 2.770 1.00 0.00 H new ATOM 0 HG21 THR A 16 -0.681 -15.647 4.000 1.00 0.00 H new ATOM 0 HG22 THR A 16 -0.198 -17.329 4.322 1.00 0.00 H new ATOM 0 HG23 THR A 16 -0.041 -16.657 2.682 1.00 0.00 H new ATOM 462 N ASP A 17 -1.689 -20.890 3.282 1.00 0.00 N ATOM 463 CA ASP A 17 -1.645 -22.110 4.102 1.00 0.00 C ATOM 464 C ASP A 17 -0.562 -23.104 3.624 1.00 0.00 C ATOM 465 O ASP A 17 -0.170 -23.099 2.453 1.00 0.00 O ATOM 466 CB ASP A 17 -3.057 -22.730 4.146 1.00 0.00 C ATOM 467 CG ASP A 17 -3.158 -24.026 4.972 1.00 0.00 C ATOM 468 OD1 ASP A 17 -2.479 -24.136 6.022 1.00 0.00 O ATOM 469 OD2 ASP A 17 -3.946 -24.925 4.591 1.00 0.00 O ATOM 0 H ASP A 17 -1.534 -21.080 2.292 1.00 0.00 H new ATOM 0 HA ASP A 17 -1.349 -21.849 5.118 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -3.750 -21.996 4.558 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -3.381 -22.937 3.126 1.00 0.00 H new ATOM 474 N GLY A 18 -0.051 -23.949 4.527 1.00 0.00 N ATOM 475 CA GLY A 18 1.002 -24.940 4.256 1.00 0.00 C ATOM 476 C GLY A 18 2.425 -24.371 4.105 1.00 0.00 C ATOM 477 O GLY A 18 3.345 -25.112 3.749 1.00 0.00 O ATOM 0 H GLY A 18 -0.367 -23.964 5.497 1.00 0.00 H new ATOM 0 HA2 GLY A 18 1.006 -25.671 5.065 1.00 0.00 H new ATOM 0 HA3 GLY A 18 0.745 -25.477 3.343 1.00 0.00 H new ATOM 481 N ALA A 19 2.620 -23.072 4.359 1.00 0.00 N ATOM 482 CA ALA A 19 3.915 -22.391 4.276 1.00 0.00 C ATOM 483 C ALA A 19 4.906 -22.830 5.379 1.00 0.00 C ATOM 484 O ALA A 19 4.507 -23.241 6.474 1.00 0.00 O ATOM 485 CB ALA A 19 3.666 -20.876 4.314 1.00 0.00 C ATOM 0 H ALA A 19 1.860 -22.450 4.635 1.00 0.00 H new ATOM 0 HA ALA A 19 4.393 -22.672 3.338 1.00 0.00 H new ATOM 0 HB1 ALA A 19 4.618 -20.349 4.253 1.00 0.00 H new ATOM 0 HB2 ALA A 19 3.038 -20.589 3.470 1.00 0.00 H new ATOM 0 HB3 ALA A 19 3.165 -20.613 5.245 1.00 0.00 H new ATOM 491 N VAL A 20 6.208 -22.707 5.101 1.00 0.00 N ATOM 492 CA VAL A 20 7.299 -22.975 6.061 1.00 0.00 C ATOM 493 C VAL A 20 7.327 -21.974 7.225 1.00 0.00 C ATOM 494 O VAL A 20 7.099 -20.777 7.024 1.00 0.00 O ATOM 495 CB VAL A 20 8.683 -23.069 5.375 1.00 0.00 C ATOM 496 CG1 VAL A 20 9.726 -23.730 6.286 1.00 0.00 C ATOM 497 CG2 VAL A 20 8.648 -23.868 4.062 1.00 0.00 C ATOM 0 H VAL A 20 6.546 -22.413 4.185 1.00 0.00 H new ATOM 0 HA VAL A 20 7.078 -23.954 6.485 1.00 0.00 H new ATOM 0 HB VAL A 20 8.959 -22.036 5.163 1.00 0.00 H new ATOM 0 HG11 VAL A 20 10.684 -23.777 5.768 1.00 0.00 H new ATOM 0 HG12 VAL A 20 9.835 -23.144 7.199 1.00 0.00 H new ATOM 0 HG13 VAL A 20 9.401 -24.739 6.539 1.00 0.00 H new ATOM 0 HG21 VAL A 20 9.647 -23.899 3.628 1.00 0.00 H new ATOM 0 HG22 VAL A 20 8.308 -24.884 4.263 1.00 0.00 H new ATOM 0 HG23 VAL A 20 7.963 -23.388 3.362 1.00 0.00 H new ATOM 507 N THR A 21 7.625 -22.445 8.441 1.00 0.00 N ATOM 508 CA THR A 21 7.851 -21.587 9.621 1.00 0.00 C ATOM 509 C THR A 21 9.063 -20.645 9.525 1.00 0.00 C ATOM 510 O THR A 21 9.985 -20.870 8.732 1.00 0.00 O ATOM 511 CB THR A 21 7.756 -22.334 10.968 1.00 0.00 C ATOM 512 OG1 THR A 21 9.018 -22.824 11.359 1.00 0.00 O ATOM 513 CG2 THR A 21 6.786 -23.520 10.973 1.00 0.00 C ATOM 0 H THR A 21 7.718 -23.441 8.641 1.00 0.00 H new ATOM 0 HA THR A 21 6.996 -20.912 9.604 1.00 0.00 H new ATOM 0 HB THR A 21 7.376 -21.585 11.663 1.00 0.00 H new ATOM 0 HG1 THR A 21 8.936 -23.293 12.216 1.00 0.00 H new ATOM 0 HG21 THR A 21 6.784 -23.984 11.959 1.00 0.00 H new ATOM 0 HG22 THR A 21 5.782 -23.170 10.735 1.00 0.00 H new ATOM 0 HG23 THR A 21 7.101 -24.251 10.228 1.00 0.00 H new ATOM 521 N THR A 22 9.051 -19.551 10.294 1.00 0.00 N ATOM 522 CA THR A 22 10.041 -18.461 10.179 1.00 0.00 C ATOM 523 C THR A 22 11.510 -18.847 10.400 1.00 0.00 C ATOM 524 O THR A 22 11.839 -19.654 11.276 1.00 0.00 O ATOM 525 CB THR A 22 9.640 -17.159 10.906 1.00 0.00 C ATOM 526 OG1 THR A 22 10.128 -17.148 12.232 1.00 0.00 O ATOM 527 CG2 THR A 22 8.130 -16.907 10.972 1.00 0.00 C ATOM 0 H THR A 22 8.352 -19.391 11.020 1.00 0.00 H new ATOM 0 HA THR A 22 9.999 -18.236 9.113 1.00 0.00 H new ATOM 0 HB THR A 22 10.088 -16.368 10.304 1.00 0.00 H new ATOM 0 HG1 THR A 22 9.863 -16.313 12.671 1.00 0.00 H new ATOM 0 HG21 THR A 22 7.940 -15.972 11.499 1.00 0.00 H new ATOM 0 HG22 THR A 22 7.727 -16.842 9.961 1.00 0.00 H new ATOM 0 HG23 THR A 22 7.647 -17.727 11.503 1.00 0.00 H new ATOM 535 N SER A 23 12.399 -18.277 9.577 1.00 0.00 N ATOM 536 CA SER A 23 13.868 -18.426 9.618 1.00 0.00 C ATOM 537 C SER A 23 14.441 -19.854 9.476 1.00 0.00 C ATOM 538 O SER A 23 15.650 -20.040 9.634 1.00 0.00 O ATOM 539 CB SER A 23 14.449 -17.688 10.836 1.00 0.00 C ATOM 540 OG SER A 23 14.201 -16.292 10.730 1.00 0.00 O ATOM 0 H SER A 23 12.100 -17.663 8.819 1.00 0.00 H new ATOM 0 HA SER A 23 14.206 -17.954 8.695 1.00 0.00 H new ATOM 0 HB2 SER A 23 14.002 -18.075 11.752 1.00 0.00 H new ATOM 0 HB3 SER A 23 15.522 -17.870 10.903 1.00 0.00 H new ATOM 0 HG SER A 23 14.574 -15.833 11.512 1.00 0.00 H new ATOM 546 N GLN A 24 13.619 -20.867 9.165 1.00 0.00 N ATOM 547 CA GLN A 24 14.085 -22.246 8.945 1.00 0.00 C ATOM 548 C GLN A 24 14.741 -22.391 7.561 1.00 0.00 C ATOM 549 O GLN A 24 15.908 -22.771 7.446 1.00 0.00 O ATOM 550 CB GLN A 24 12.930 -23.249 9.132 1.00 0.00 C ATOM 551 CG GLN A 24 12.194 -23.125 10.476 1.00 0.00 C ATOM 552 CD GLN A 24 13.123 -23.072 11.689 1.00 0.00 C ATOM 553 OE1 GLN A 24 13.852 -24.008 11.994 1.00 0.00 O ATOM 554 NE2 GLN A 24 13.151 -21.974 12.416 1.00 0.00 N ATOM 0 H GLN A 24 12.611 -20.754 9.059 1.00 0.00 H new ATOM 0 HA GLN A 24 14.845 -22.474 9.692 1.00 0.00 H new ATOM 0 HB2 GLN A 24 12.211 -23.112 8.324 1.00 0.00 H new ATOM 0 HB3 GLN A 24 13.325 -24.261 9.040 1.00 0.00 H new ATOM 0 HG2 GLN A 24 11.580 -22.224 10.461 1.00 0.00 H new ATOM 0 HG3 GLN A 24 11.516 -23.971 10.587 1.00 0.00 H new ATOM 0 HE21 GLN A 24 12.550 -21.187 12.174 1.00 0.00 H new ATOM 0 HE22 GLN A 24 13.774 -21.911 13.221 1.00 0.00 H new ATOM 563 N ILE A 25 13.992 -22.039 6.512 1.00 0.00 N ATOM 564 CA ILE A 25 14.458 -21.877 5.133 1.00 0.00 C ATOM 565 C ILE A 25 15.199 -20.534 4.930 1.00 0.00 C ATOM 566 O ILE A 25 15.001 -19.604 5.724 1.00 0.00 O ATOM 567 CB ILE A 25 13.253 -22.115 4.183 1.00 0.00 C ATOM 568 CG1 ILE A 25 13.391 -23.433 3.406 1.00 0.00 C ATOM 569 CG2 ILE A 25 12.878 -20.958 3.241 1.00 0.00 C ATOM 570 CD1 ILE A 25 13.451 -24.696 4.278 1.00 0.00 C ATOM 0 H ILE A 25 12.994 -21.850 6.607 1.00 0.00 H new ATOM 0 HA ILE A 25 15.216 -22.621 4.888 1.00 0.00 H new ATOM 0 HB ILE A 25 12.409 -22.179 4.870 1.00 0.00 H new ATOM 0 HG12 ILE A 25 12.549 -23.523 2.720 1.00 0.00 H new ATOM 0 HG13 ILE A 25 14.294 -23.386 2.798 1.00 0.00 H new ATOM 0 HG21 ILE A 25 12.023 -21.248 2.631 1.00 0.00 H new ATOM 0 HG22 ILE A 25 12.621 -20.078 3.830 1.00 0.00 H new ATOM 0 HG23 ILE A 25 13.724 -20.727 2.594 1.00 0.00 H new ATOM 0 HD11 ILE A 25 13.548 -25.574 3.640 1.00 0.00 H new ATOM 0 HD12 ILE A 25 14.310 -24.636 4.946 1.00 0.00 H new ATOM 0 HD13 ILE A 25 12.537 -24.775 4.867 1.00 0.00 H new ATOM 582 N PRO A 26 16.047 -20.403 3.889 1.00 0.00 N ATOM 583 CA PRO A 26 16.808 -19.182 3.604 1.00 0.00 C ATOM 584 C PRO A 26 15.927 -17.936 3.412 1.00 0.00 C ATOM 585 O PRO A 26 14.825 -18.010 2.862 1.00 0.00 O ATOM 586 CB PRO A 26 17.632 -19.488 2.347 1.00 0.00 C ATOM 587 CG PRO A 26 17.775 -21.009 2.381 1.00 0.00 C ATOM 588 CD PRO A 26 16.431 -21.450 2.953 1.00 0.00 C ATOM 0 HA PRO A 26 17.438 -18.930 4.457 1.00 0.00 H new ATOM 0 HB2 PRO A 26 17.125 -19.152 1.442 1.00 0.00 H new ATOM 0 HB3 PRO A 26 18.602 -18.992 2.372 1.00 0.00 H new ATOM 0 HG2 PRO A 26 17.950 -21.423 1.388 1.00 0.00 H new ATOM 0 HG3 PRO A 26 18.608 -21.325 3.009 1.00 0.00 H new ATOM 0 HD2 PRO A 26 15.687 -21.564 2.165 1.00 0.00 H new ATOM 0 HD3 PRO A 26 16.515 -22.414 3.455 1.00 0.00 H new ATOM 596 N ALA A 27 16.428 -16.775 3.844 1.00 0.00 N ATOM 597 CA ALA A 27 15.707 -15.497 3.779 1.00 0.00 C ATOM 598 C ALA A 27 15.585 -14.910 2.353 1.00 0.00 C ATOM 599 O ALA A 27 14.734 -14.049 2.110 1.00 0.00 O ATOM 600 CB ALA A 27 16.414 -14.513 4.721 1.00 0.00 C ATOM 0 H ALA A 27 17.358 -16.694 4.255 1.00 0.00 H new ATOM 0 HA ALA A 27 14.678 -15.675 4.090 1.00 0.00 H new ATOM 0 HB1 ALA A 27 15.901 -13.552 4.695 1.00 0.00 H new ATOM 0 HB2 ALA A 27 16.397 -14.906 5.737 1.00 0.00 H new ATOM 0 HB3 ALA A 27 17.447 -14.381 4.401 1.00 0.00 H new ATOM 606 N SER A 28 16.426 -15.352 1.412 1.00 0.00 N ATOM 607 CA SER A 28 16.426 -14.907 0.011 1.00 0.00 C ATOM 608 C SER A 28 15.229 -15.432 -0.800 1.00 0.00 C ATOM 609 O SER A 28 14.774 -16.566 -0.629 1.00 0.00 O ATOM 610 CB SER A 28 17.756 -15.275 -0.663 1.00 0.00 C ATOM 611 OG SER A 28 18.039 -16.663 -0.545 1.00 0.00 O ATOM 0 H SER A 28 17.146 -16.048 1.607 1.00 0.00 H new ATOM 0 HA SER A 28 16.318 -13.822 0.027 1.00 0.00 H new ATOM 0 HB2 SER A 28 17.718 -15.000 -1.717 1.00 0.00 H new ATOM 0 HB3 SER A 28 18.564 -14.699 -0.212 1.00 0.00 H new ATOM 0 HG SER A 28 18.891 -16.862 -0.986 1.00 0.00 H new ATOM 617 N GLU A 29 14.721 -14.595 -1.708 1.00 0.00 N ATOM 618 CA GLU A 29 13.617 -14.892 -2.638 1.00 0.00 C ATOM 619 C GLU A 29 13.659 -13.959 -3.864 1.00 0.00 C ATOM 620 O GLU A 29 14.266 -12.883 -3.816 1.00 0.00 O ATOM 621 CB GLU A 29 12.252 -14.804 -1.921 1.00 0.00 C ATOM 622 CG GLU A 29 11.938 -13.435 -1.289 1.00 0.00 C ATOM 623 CD GLU A 29 10.579 -13.396 -0.559 1.00 0.00 C ATOM 624 OE1 GLU A 29 9.714 -14.282 -0.759 1.00 0.00 O ATOM 625 OE2 GLU A 29 10.343 -12.447 0.228 1.00 0.00 O ATOM 0 H GLU A 29 15.081 -13.648 -1.824 1.00 0.00 H new ATOM 0 HA GLU A 29 13.744 -15.915 -2.993 1.00 0.00 H new ATOM 0 HB2 GLU A 29 11.466 -15.046 -2.636 1.00 0.00 H new ATOM 0 HB3 GLU A 29 12.218 -15.564 -1.141 1.00 0.00 H new ATOM 0 HG2 GLU A 29 12.729 -13.178 -0.584 1.00 0.00 H new ATOM 0 HG3 GLU A 29 11.946 -12.673 -2.068 1.00 0.00 H new ATOM 632 N GLN A 30 13.011 -14.358 -4.964 1.00 0.00 N ATOM 633 CA GLN A 30 12.919 -13.577 -6.206 1.00 0.00 C ATOM 634 C GLN A 30 11.607 -13.872 -6.959 1.00 0.00 C ATOM 635 O GLN A 30 11.129 -15.007 -6.969 1.00 0.00 O ATOM 636 CB GLN A 30 14.165 -13.855 -7.076 1.00 0.00 C ATOM 637 CG GLN A 30 14.261 -12.984 -8.340 1.00 0.00 C ATOM 638 CD GLN A 30 14.357 -11.495 -8.013 1.00 0.00 C ATOM 639 OE1 GLN A 30 13.361 -10.795 -7.893 1.00 0.00 O ATOM 640 NE2 GLN A 30 15.525 -10.997 -7.667 1.00 0.00 N ATOM 0 H GLN A 30 12.524 -15.253 -5.018 1.00 0.00 H new ATOM 0 HA GLN A 30 12.898 -12.515 -5.963 1.00 0.00 H new ATOM 0 HB2 GLN A 30 15.058 -13.697 -6.472 1.00 0.00 H new ATOM 0 HB3 GLN A 30 14.161 -14.904 -7.371 1.00 0.00 H new ATOM 0 HG2 GLN A 30 15.135 -13.283 -8.919 1.00 0.00 H new ATOM 0 HG3 GLN A 30 13.387 -13.160 -8.967 1.00 0.00 H new ATOM 0 HE21 GLN A 30 16.368 -11.563 -7.759 1.00 0.00 H new ATOM 0 HE22 GLN A 30 15.587 -10.045 -7.307 1.00 0.00 H new ATOM 649 N GLU A 31 11.030 -12.851 -7.597 1.00 0.00 N ATOM 650 CA GLU A 31 9.748 -12.898 -8.323 1.00 0.00 C ATOM 651 C GLU A 31 9.744 -11.970 -9.556 1.00 0.00 C ATOM 652 O GLU A 31 10.635 -11.137 -9.730 1.00 0.00 O ATOM 653 CB GLU A 31 8.584 -12.530 -7.372 1.00 0.00 C ATOM 654 CG GLU A 31 8.220 -13.592 -6.321 1.00 0.00 C ATOM 655 CD GLU A 31 7.695 -14.924 -6.904 1.00 0.00 C ATOM 656 OE1 GLU A 31 7.383 -15.008 -8.118 1.00 0.00 O ATOM 657 OE2 GLU A 31 7.551 -15.901 -6.127 1.00 0.00 O ATOM 0 H GLU A 31 11.458 -11.926 -7.626 1.00 0.00 H new ATOM 0 HA GLU A 31 9.613 -13.918 -8.684 1.00 0.00 H new ATOM 0 HB2 GLU A 31 8.841 -11.606 -6.854 1.00 0.00 H new ATOM 0 HB3 GLU A 31 7.699 -12.323 -7.974 1.00 0.00 H new ATOM 0 HG2 GLU A 31 9.101 -13.799 -5.713 1.00 0.00 H new ATOM 0 HG3 GLU A 31 7.463 -13.179 -5.654 1.00 0.00 H new ATOM 664 N THR A 32 8.735 -12.099 -10.422 1.00 0.00 N ATOM 665 CA THR A 32 8.538 -11.228 -11.596 1.00 0.00 C ATOM 666 C THR A 32 8.389 -9.730 -11.305 1.00 0.00 C ATOM 667 O THR A 32 7.643 -9.342 -10.401 1.00 0.00 O ATOM 668 CB THR A 32 7.422 -11.726 -12.539 1.00 0.00 C ATOM 669 OG1 THR A 32 7.266 -13.132 -12.461 1.00 0.00 O ATOM 670 CG2 THR A 32 7.678 -11.363 -14.003 1.00 0.00 C ATOM 0 H THR A 32 8.019 -12.820 -10.331 1.00 0.00 H new ATOM 0 HA THR A 32 9.492 -11.317 -12.117 1.00 0.00 H new ATOM 0 HB THR A 32 6.516 -11.224 -12.201 1.00 0.00 H new ATOM 0 HG1 THR A 32 6.551 -13.416 -13.068 1.00 0.00 H new ATOM 0 HG21 THR A 32 6.861 -11.739 -14.619 1.00 0.00 H new ATOM 0 HG22 THR A 32 7.740 -10.279 -14.104 1.00 0.00 H new ATOM 0 HG23 THR A 32 8.616 -11.812 -14.331 1.00 0.00 H new ATOM 678 N LEU A 33 9.072 -8.877 -12.077 1.00 0.00 N ATOM 679 CA LEU A 33 8.937 -7.416 -12.003 1.00 0.00 C ATOM 680 C LEU A 33 7.621 -6.943 -12.649 1.00 0.00 C ATOM 681 O LEU A 33 7.227 -7.430 -13.712 1.00 0.00 O ATOM 682 CB LEU A 33 10.153 -6.732 -12.659 1.00 0.00 C ATOM 683 CG LEU A 33 11.513 -7.052 -12.007 1.00 0.00 C ATOM 684 CD1 LEU A 33 12.640 -6.456 -12.850 1.00 0.00 C ATOM 685 CD2 LEU A 33 11.630 -6.486 -10.589 1.00 0.00 C ATOM 0 H LEU A 33 9.743 -9.185 -12.780 1.00 0.00 H new ATOM 0 HA LEU A 33 8.906 -7.130 -10.952 1.00 0.00 H new ATOM 0 HB2 LEU A 33 10.193 -7.025 -13.708 1.00 0.00 H new ATOM 0 HB3 LEU A 33 10.001 -5.653 -12.634 1.00 0.00 H new ATOM 0 HG LEU A 33 11.590 -8.138 -11.953 1.00 0.00 H new ATOM 0 HD11 LEU A 33 13.600 -6.684 -12.387 1.00 0.00 H new ATOM 0 HD12 LEU A 33 12.610 -6.884 -13.852 1.00 0.00 H new ATOM 0 HD13 LEU A 33 12.515 -5.375 -12.913 1.00 0.00 H new ATOM 0 HD21 LEU A 33 12.606 -6.739 -10.175 1.00 0.00 H new ATOM 0 HD22 LEU A 33 11.519 -5.402 -10.620 1.00 0.00 H new ATOM 0 HD23 LEU A 33 10.848 -6.913 -9.961 1.00 0.00 H new ATOM 697 N VAL A 34 6.952 -5.980 -12.009 1.00 0.00 N ATOM 698 CA VAL A 34 5.596 -5.504 -12.364 1.00 0.00 C ATOM 699 C VAL A 34 5.533 -4.162 -13.097 1.00 0.00 C ATOM 700 O VAL A 34 4.557 -3.890 -13.794 1.00 0.00 O ATOM 701 CB VAL A 34 4.655 -5.502 -11.137 1.00 0.00 C ATOM 702 CG1 VAL A 34 4.854 -6.725 -10.238 1.00 0.00 C ATOM 703 CG2 VAL A 34 4.805 -4.256 -10.249 1.00 0.00 C ATOM 0 H VAL A 34 7.343 -5.490 -11.204 1.00 0.00 H new ATOM 0 HA VAL A 34 5.246 -6.235 -13.092 1.00 0.00 H new ATOM 0 HB VAL A 34 3.659 -5.514 -11.579 1.00 0.00 H new ATOM 0 HG11 VAL A 34 4.168 -6.671 -9.393 1.00 0.00 H new ATOM 0 HG12 VAL A 34 4.656 -7.632 -10.809 1.00 0.00 H new ATOM 0 HG13 VAL A 34 5.880 -6.744 -9.871 1.00 0.00 H new ATOM 0 HG21 VAL A 34 4.114 -4.323 -9.408 1.00 0.00 H new ATOM 0 HG22 VAL A 34 5.827 -4.197 -9.875 1.00 0.00 H new ATOM 0 HG23 VAL A 34 4.580 -3.364 -10.833 1.00 0.00 H new ATOM 713 N ARG A 35 6.563 -3.326 -12.904 1.00 0.00 N ATOM 714 CA ARG A 35 6.658 -1.905 -13.301 1.00 0.00 C ATOM 715 C ARG A 35 5.384 -1.118 -12.906 1.00 0.00 C ATOM 716 O ARG A 35 4.506 -0.900 -13.745 1.00 0.00 O ATOM 717 CB ARG A 35 7.032 -1.786 -14.798 1.00 0.00 C ATOM 718 CG ARG A 35 7.696 -0.449 -15.192 1.00 0.00 C ATOM 719 CD ARG A 35 6.874 0.816 -14.910 1.00 0.00 C ATOM 720 NE ARG A 35 7.561 2.025 -15.403 1.00 0.00 N ATOM 721 CZ ARG A 35 7.568 3.227 -14.849 1.00 0.00 C ATOM 722 NH1 ARG A 35 6.886 3.521 -13.778 1.00 0.00 N ATOM 723 NH2 ARG A 35 8.276 4.181 -15.382 1.00 0.00 N ATOM 0 H ARG A 35 7.412 -3.642 -12.435 1.00 0.00 H new ATOM 0 HA ARG A 35 7.468 -1.433 -12.744 1.00 0.00 H new ATOM 0 HB2 ARG A 35 7.708 -2.602 -15.056 1.00 0.00 H new ATOM 0 HB3 ARG A 35 6.130 -1.918 -15.396 1.00 0.00 H new ATOM 0 HG2 ARG A 35 8.646 -0.367 -14.663 1.00 0.00 H new ATOM 0 HG3 ARG A 35 7.926 -0.480 -16.257 1.00 0.00 H new ATOM 0 HD2 ARG A 35 5.897 0.731 -15.386 1.00 0.00 H new ATOM 0 HD3 ARG A 35 6.699 0.907 -13.838 1.00 0.00 H new ATOM 0 HE ARG A 35 8.091 1.923 -16.269 1.00 0.00 H new ATOM 0 HH11 ARG A 35 6.312 2.808 -13.327 1.00 0.00 H new ATOM 0 HH12 ARG A 35 6.926 4.464 -13.391 1.00 0.00 H new ATOM 0 HH21 ARG A 35 8.823 4.001 -16.224 1.00 0.00 H new ATOM 0 HH22 ARG A 35 8.284 5.109 -14.958 1.00 0.00 H new ATOM 737 N PRO A 36 5.258 -0.683 -11.637 1.00 0.00 N ATOM 738 CA PRO A 36 4.084 0.059 -11.182 1.00 0.00 C ATOM 739 C PRO A 36 3.977 1.454 -11.819 1.00 0.00 C ATOM 740 O PRO A 36 4.964 2.024 -12.301 1.00 0.00 O ATOM 741 CB PRO A 36 4.196 0.121 -9.657 1.00 0.00 C ATOM 742 CG PRO A 36 5.687 -0.025 -9.374 1.00 0.00 C ATOM 743 CD PRO A 36 6.227 -0.828 -10.557 1.00 0.00 C ATOM 0 HA PRO A 36 3.166 -0.442 -11.490 1.00 0.00 H new ATOM 0 HB2 PRO A 36 3.809 1.064 -9.269 1.00 0.00 H new ATOM 0 HB3 PRO A 36 3.623 -0.677 -9.185 1.00 0.00 H new ATOM 0 HG2 PRO A 36 6.174 0.948 -9.300 1.00 0.00 H new ATOM 0 HG3 PRO A 36 5.863 -0.542 -8.431 1.00 0.00 H new ATOM 0 HD2 PRO A 36 7.206 -0.457 -10.862 1.00 0.00 H new ATOM 0 HD3 PRO A 36 6.353 -1.877 -10.288 1.00 0.00 H new ATOM 751 N LYS A 37 2.763 2.012 -11.796 1.00 0.00 N ATOM 752 CA LYS A 37 2.432 3.382 -12.225 1.00 0.00 C ATOM 753 C LYS A 37 3.257 4.438 -11.465 1.00 0.00 C ATOM 754 O LYS A 37 3.553 4.237 -10.284 1.00 0.00 O ATOM 755 CB LYS A 37 0.903 3.587 -12.096 1.00 0.00 C ATOM 756 CG LYS A 37 0.169 3.070 -13.351 1.00 0.00 C ATOM 757 CD LYS A 37 -1.273 2.564 -13.156 1.00 0.00 C ATOM 758 CE LYS A 37 -2.191 3.440 -12.289 1.00 0.00 C ATOM 759 NZ LYS A 37 -3.613 3.037 -12.457 1.00 0.00 N ATOM 0 H LYS A 37 1.945 1.502 -11.464 1.00 0.00 H new ATOM 0 HA LYS A 37 2.706 3.517 -13.271 1.00 0.00 H new ATOM 0 HB2 LYS A 37 0.535 3.063 -11.214 1.00 0.00 H new ATOM 0 HB3 LYS A 37 0.685 4.645 -11.953 1.00 0.00 H new ATOM 0 HG2 LYS A 37 0.150 3.873 -14.088 1.00 0.00 H new ATOM 0 HG3 LYS A 37 0.758 2.259 -13.779 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -1.733 2.454 -14.138 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -1.229 1.570 -12.712 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -1.904 3.351 -11.241 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -2.069 4.487 -12.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -4.217 3.640 -11.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -3.889 3.145 -13.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -3.728 2.044 -12.171 1.00 0.00 H new ATOM 773 N PRO A 38 3.631 5.569 -12.097 1.00 0.00 N ATOM 774 CA PRO A 38 4.561 6.546 -11.513 1.00 0.00 C ATOM 775 C PRO A 38 4.042 7.183 -10.214 1.00 0.00 C ATOM 776 O PRO A 38 4.827 7.480 -9.311 1.00 0.00 O ATOM 777 CB PRO A 38 4.796 7.590 -12.612 1.00 0.00 C ATOM 778 CG PRO A 38 3.556 7.482 -13.500 1.00 0.00 C ATOM 779 CD PRO A 38 3.225 5.993 -13.430 1.00 0.00 C ATOM 0 HA PRO A 38 5.487 6.058 -11.209 1.00 0.00 H new ATOM 0 HB2 PRO A 38 4.901 8.591 -12.195 1.00 0.00 H new ATOM 0 HB3 PRO A 38 5.707 7.381 -13.172 1.00 0.00 H new ATOM 0 HG2 PRO A 38 2.737 8.097 -13.129 1.00 0.00 H new ATOM 0 HG3 PRO A 38 3.759 7.805 -14.521 1.00 0.00 H new ATOM 0 HD2 PRO A 38 2.161 5.819 -13.591 1.00 0.00 H new ATOM 0 HD3 PRO A 38 3.759 5.435 -14.199 1.00 0.00 H new ATOM 787 N LEU A 39 2.720 7.336 -10.082 1.00 0.00 N ATOM 788 CA LEU A 39 2.069 7.863 -8.879 1.00 0.00 C ATOM 789 C LEU A 39 2.227 6.909 -7.673 1.00 0.00 C ATOM 790 O LEU A 39 2.466 7.371 -6.556 1.00 0.00 O ATOM 791 CB LEU A 39 0.607 8.200 -9.261 1.00 0.00 C ATOM 792 CG LEU A 39 -0.226 9.092 -8.316 1.00 0.00 C ATOM 793 CD1 LEU A 39 -0.840 8.334 -7.145 1.00 0.00 C ATOM 794 CD2 LEU A 39 0.551 10.301 -7.791 1.00 0.00 C ATOM 0 H LEU A 39 2.061 7.093 -10.822 1.00 0.00 H new ATOM 0 HA LEU A 39 2.549 8.778 -8.533 1.00 0.00 H new ATOM 0 HB2 LEU A 39 0.625 8.682 -10.238 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.072 7.258 -9.380 1.00 0.00 H new ATOM 0 HG LEU A 39 -1.039 9.452 -8.946 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -1.411 9.024 -6.524 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -1.501 7.554 -7.523 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.048 7.881 -6.549 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -0.090 10.888 -7.133 1.00 0.00 H new ATOM 0 HD22 LEU A 39 1.425 9.959 -7.236 1.00 0.00 H new ATOM 0 HD23 LEU A 39 0.872 10.919 -8.629 1.00 0.00 H new ATOM 806 N LEU A 40 2.200 5.586 -7.901 1.00 0.00 N ATOM 807 CA LEU A 40 2.549 4.584 -6.886 1.00 0.00 C ATOM 808 C LEU A 40 4.050 4.557 -6.608 1.00 0.00 C ATOM 809 O LEU A 40 4.455 4.567 -5.450 1.00 0.00 O ATOM 810 CB LEU A 40 2.051 3.189 -7.310 1.00 0.00 C ATOM 811 CG LEU A 40 2.401 2.076 -6.297 1.00 0.00 C ATOM 812 CD1 LEU A 40 1.860 2.362 -4.896 1.00 0.00 C ATOM 813 CD2 LEU A 40 1.799 0.746 -6.735 1.00 0.00 C ATOM 0 H LEU A 40 1.934 5.182 -8.799 1.00 0.00 H new ATOM 0 HA LEU A 40 2.050 4.868 -5.959 1.00 0.00 H new ATOM 0 HB2 LEU A 40 0.970 3.222 -7.442 1.00 0.00 H new ATOM 0 HB3 LEU A 40 2.483 2.937 -8.279 1.00 0.00 H new ATOM 0 HG LEU A 40 3.490 2.037 -6.267 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.136 1.547 -4.226 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.284 3.295 -4.526 1.00 0.00 H new ATOM 0 HD13 LEU A 40 0.774 2.447 -4.936 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.056 -0.026 -6.010 1.00 0.00 H new ATOM 0 HD22 LEU A 40 0.715 0.840 -6.796 1.00 0.00 H new ATOM 0 HD23 LEU A 40 2.195 0.472 -7.713 1.00 0.00 H new ATOM 825 N LEU A 41 4.880 4.563 -7.653 1.00 0.00 N ATOM 826 CA LEU A 41 6.339 4.561 -7.514 1.00 0.00 C ATOM 827 C LEU A 41 6.824 5.709 -6.611 1.00 0.00 C ATOM 828 O LEU A 41 7.674 5.487 -5.754 1.00 0.00 O ATOM 829 CB LEU A 41 6.969 4.589 -8.916 1.00 0.00 C ATOM 830 CG LEU A 41 8.501 4.743 -8.935 1.00 0.00 C ATOM 831 CD1 LEU A 41 9.225 3.627 -8.178 1.00 0.00 C ATOM 832 CD2 LEU A 41 8.998 4.735 -10.379 1.00 0.00 C ATOM 0 H LEU A 41 4.560 4.569 -8.621 1.00 0.00 H new ATOM 0 HA LEU A 41 6.662 3.648 -7.013 1.00 0.00 H new ATOM 0 HB2 LEU A 41 6.704 3.668 -9.436 1.00 0.00 H new ATOM 0 HB3 LEU A 41 6.529 5.411 -9.480 1.00 0.00 H new ATOM 0 HG LEU A 41 8.723 5.688 -8.438 1.00 0.00 H new ATOM 0 HD11 LEU A 41 10.301 3.792 -8.228 1.00 0.00 H new ATOM 0 HD12 LEU A 41 8.906 3.628 -7.136 1.00 0.00 H new ATOM 0 HD13 LEU A 41 8.984 2.665 -8.630 1.00 0.00 H new ATOM 0 HD21 LEU A 41 10.082 4.844 -10.391 1.00 0.00 H new ATOM 0 HD22 LEU A 41 8.723 3.793 -10.853 1.00 0.00 H new ATOM 0 HD23 LEU A 41 8.544 5.562 -10.925 1.00 0.00 H new ATOM 844 N LYS A 42 6.232 6.904 -6.721 1.00 0.00 N ATOM 845 CA LYS A 42 6.515 8.058 -5.847 1.00 0.00 C ATOM 846 C LYS A 42 6.185 7.822 -4.365 1.00 0.00 C ATOM 847 O LYS A 42 6.913 8.299 -3.495 1.00 0.00 O ATOM 848 CB LYS A 42 5.732 9.263 -6.394 1.00 0.00 C ATOM 849 CG LYS A 42 5.996 10.564 -5.615 1.00 0.00 C ATOM 850 CD LYS A 42 5.317 11.788 -6.243 1.00 0.00 C ATOM 851 CE LYS A 42 3.785 11.697 -6.196 1.00 0.00 C ATOM 852 NZ LYS A 42 3.152 12.934 -6.727 1.00 0.00 N ATOM 0 H LYS A 42 5.529 7.104 -7.432 1.00 0.00 H new ATOM 0 HA LYS A 42 7.590 8.237 -5.866 1.00 0.00 H new ATOM 0 HB2 LYS A 42 5.996 9.414 -7.441 1.00 0.00 H new ATOM 0 HB3 LYS A 42 4.666 9.039 -6.363 1.00 0.00 H new ATOM 0 HG2 LYS A 42 5.643 10.445 -4.591 1.00 0.00 H new ATOM 0 HG3 LYS A 42 7.071 10.738 -5.564 1.00 0.00 H new ATOM 0 HD2 LYS A 42 5.641 12.688 -5.720 1.00 0.00 H new ATOM 0 HD3 LYS A 42 5.641 11.888 -7.279 1.00 0.00 H new ATOM 0 HE2 LYS A 42 3.452 10.837 -6.778 1.00 0.00 H new ATOM 0 HE3 LYS A 42 3.460 11.532 -5.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 2.117 12.841 -6.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 3.452 13.750 -6.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 3.444 13.077 -7.715 1.00 0.00 H new ATOM 866 N LEU A 43 5.139 7.053 -4.058 1.00 0.00 N ATOM 867 CA LEU A 43 4.863 6.598 -2.686 1.00 0.00 C ATOM 868 C LEU A 43 6.009 5.715 -2.159 1.00 0.00 C ATOM 869 O LEU A 43 6.437 5.875 -1.016 1.00 0.00 O ATOM 870 CB LEU A 43 3.482 5.912 -2.633 1.00 0.00 C ATOM 871 CG LEU A 43 3.035 5.476 -1.223 1.00 0.00 C ATOM 872 CD1 LEU A 43 1.510 5.428 -1.152 1.00 0.00 C ATOM 873 CD2 LEU A 43 3.530 4.073 -0.847 1.00 0.00 C ATOM 0 H LEU A 43 4.460 6.727 -4.746 1.00 0.00 H new ATOM 0 HA LEU A 43 4.819 7.455 -2.014 1.00 0.00 H new ATOM 0 HB2 LEU A 43 2.736 6.594 -3.041 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.501 5.036 -3.281 1.00 0.00 H new ATOM 0 HG LEU A 43 3.461 6.207 -0.536 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.202 5.119 -0.153 1.00 0.00 H new ATOM 0 HD12 LEU A 43 1.104 6.417 -1.368 1.00 0.00 H new ATOM 0 HD13 LEU A 43 1.134 4.714 -1.885 1.00 0.00 H new ATOM 0 HD21 LEU A 43 3.184 3.822 0.156 1.00 0.00 H new ATOM 0 HD22 LEU A 43 3.138 3.346 -1.559 1.00 0.00 H new ATOM 0 HD23 LEU A 43 4.620 4.053 -0.871 1.00 0.00 H new ATOM 885 N LEU A 44 6.575 4.852 -3.011 1.00 0.00 N ATOM 886 CA LEU A 44 7.793 4.094 -2.695 1.00 0.00 C ATOM 887 C LEU A 44 9.013 5.035 -2.543 1.00 0.00 C ATOM 888 O LEU A 44 9.786 4.899 -1.594 1.00 0.00 O ATOM 889 CB LEU A 44 8.046 2.958 -3.719 1.00 0.00 C ATOM 890 CG LEU A 44 6.818 2.244 -4.323 1.00 0.00 C ATOM 891 CD1 LEU A 44 7.261 1.196 -5.346 1.00 0.00 C ATOM 892 CD2 LEU A 44 5.946 1.539 -3.284 1.00 0.00 C ATOM 0 H LEU A 44 6.201 4.659 -3.940 1.00 0.00 H new ATOM 0 HA LEU A 44 7.642 3.609 -1.731 1.00 0.00 H new ATOM 0 HB2 LEU A 44 8.630 3.372 -4.541 1.00 0.00 H new ATOM 0 HB3 LEU A 44 8.667 2.204 -3.235 1.00 0.00 H new ATOM 0 HG LEU A 44 6.225 3.032 -4.787 1.00 0.00 H new ATOM 0 HD11 LEU A 44 6.384 0.701 -5.763 1.00 0.00 H new ATOM 0 HD12 LEU A 44 7.818 1.682 -6.147 1.00 0.00 H new ATOM 0 HD13 LEU A 44 7.897 0.457 -4.858 1.00 0.00 H new ATOM 0 HD21 LEU A 44 5.103 1.060 -3.781 1.00 0.00 H new ATOM 0 HD22 LEU A 44 6.537 0.785 -2.764 1.00 0.00 H new ATOM 0 HD23 LEU A 44 5.576 2.269 -2.564 1.00 0.00 H new ATOM 904 N LYS A 45 9.170 6.051 -3.409 1.00 0.00 N ATOM 905 CA LYS A 45 10.236 7.073 -3.285 1.00 0.00 C ATOM 906 C LYS A 45 10.164 7.856 -1.970 1.00 0.00 C ATOM 907 O LYS A 45 11.204 8.202 -1.410 1.00 0.00 O ATOM 908 CB LYS A 45 10.231 8.078 -4.458 1.00 0.00 C ATOM 909 CG LYS A 45 10.380 7.527 -5.888 1.00 0.00 C ATOM 910 CD LYS A 45 11.400 6.399 -6.002 1.00 0.00 C ATOM 911 CE LYS A 45 12.002 6.304 -7.409 1.00 0.00 C ATOM 912 NZ LYS A 45 13.049 5.253 -7.472 1.00 0.00 N ATOM 0 H LYS A 45 8.563 6.191 -4.217 1.00 0.00 H new ATOM 0 HA LYS A 45 11.165 6.503 -3.303 1.00 0.00 H new ATOM 0 HB2 LYS A 45 9.297 8.638 -4.413 1.00 0.00 H new ATOM 0 HB3 LYS A 45 11.039 8.790 -4.290 1.00 0.00 H new ATOM 0 HG2 LYS A 45 9.411 7.166 -6.233 1.00 0.00 H new ATOM 0 HG3 LYS A 45 10.673 8.339 -6.553 1.00 0.00 H new ATOM 0 HD2 LYS A 45 12.198 6.558 -5.277 1.00 0.00 H new ATOM 0 HD3 LYS A 45 10.923 5.453 -5.748 1.00 0.00 H new ATOM 0 HE2 LYS A 45 11.216 6.082 -8.130 1.00 0.00 H new ATOM 0 HE3 LYS A 45 12.430 7.266 -7.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 13.850 5.595 -8.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 13.377 5.031 -6.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 12.655 4.396 -7.909 1.00 0.00 H new ATOM 926 N SER A 46 8.961 8.069 -1.435 1.00 0.00 N ATOM 927 CA SER A 46 8.727 8.723 -0.133 1.00 0.00 C ATOM 928 C SER A 46 9.272 7.922 1.066 1.00 0.00 C ATOM 929 O SER A 46 9.436 8.479 2.152 1.00 0.00 O ATOM 930 CB SER A 46 7.232 9.002 0.064 1.00 0.00 C ATOM 931 OG SER A 46 6.744 9.850 -0.964 1.00 0.00 O ATOM 0 H SER A 46 8.098 7.788 -1.900 1.00 0.00 H new ATOM 0 HA SER A 46 9.283 9.660 -0.162 1.00 0.00 H new ATOM 0 HB2 SER A 46 6.678 8.063 0.063 1.00 0.00 H new ATOM 0 HB3 SER A 46 7.068 9.468 1.036 1.00 0.00 H new ATOM 0 HG SER A 46 6.782 9.379 -1.822 1.00 0.00 H new ATOM 937 N VAL A 47 9.604 6.640 0.861 1.00 0.00 N ATOM 938 CA VAL A 47 10.326 5.760 1.806 1.00 0.00 C ATOM 939 C VAL A 47 11.675 5.263 1.240 1.00 0.00 C ATOM 940 O VAL A 47 12.223 4.263 1.707 1.00 0.00 O ATOM 941 CB VAL A 47 9.422 4.618 2.320 1.00 0.00 C ATOM 942 CG1 VAL A 47 8.212 5.165 3.081 1.00 0.00 C ATOM 943 CG2 VAL A 47 8.910 3.702 1.203 1.00 0.00 C ATOM 0 H VAL A 47 9.368 6.160 -0.008 1.00 0.00 H new ATOM 0 HA VAL A 47 10.585 6.363 2.676 1.00 0.00 H new ATOM 0 HB VAL A 47 10.056 4.031 2.984 1.00 0.00 H new ATOM 0 HG11 VAL A 47 7.596 4.336 3.429 1.00 0.00 H new ATOM 0 HG12 VAL A 47 8.553 5.748 3.936 1.00 0.00 H new ATOM 0 HG13 VAL A 47 7.624 5.801 2.420 1.00 0.00 H new ATOM 0 HG21 VAL A 47 8.281 2.922 1.632 1.00 0.00 H new ATOM 0 HG22 VAL A 47 8.327 4.287 0.491 1.00 0.00 H new ATOM 0 HG23 VAL A 47 9.757 3.245 0.690 1.00 0.00 H new ATOM 953 N GLY A 48 12.247 5.980 0.264 1.00 0.00 N ATOM 954 CA GLY A 48 13.621 5.782 -0.221 1.00 0.00 C ATOM 955 C GLY A 48 13.836 4.646 -1.231 1.00 0.00 C ATOM 956 O GLY A 48 14.957 4.143 -1.344 1.00 0.00 O ATOM 0 H GLY A 48 11.757 6.731 -0.222 1.00 0.00 H new ATOM 0 HA2 GLY A 48 13.959 6.712 -0.678 1.00 0.00 H new ATOM 0 HA3 GLY A 48 14.263 5.598 0.640 1.00 0.00 H new ATOM 960 N ALA A 49 12.798 4.221 -1.958 1.00 0.00 N ATOM 961 CA ALA A 49 12.872 3.144 -2.948 1.00 0.00 C ATOM 962 C ALA A 49 13.846 3.473 -4.108 1.00 0.00 C ATOM 963 O ALA A 49 13.678 4.472 -4.815 1.00 0.00 O ATOM 964 CB ALA A 49 11.436 2.893 -3.414 1.00 0.00 C ATOM 0 H ALA A 49 11.865 4.624 -1.873 1.00 0.00 H new ATOM 0 HA ALA A 49 13.289 2.237 -2.511 1.00 0.00 H new ATOM 0 HB1 ALA A 49 11.429 2.096 -4.157 1.00 0.00 H new ATOM 0 HB2 ALA A 49 10.823 2.600 -2.562 1.00 0.00 H new ATOM 0 HB3 ALA A 49 11.032 3.804 -3.856 1.00 0.00 H new ATOM 970 N GLN A 50 14.886 2.654 -4.304 1.00 0.00 N ATOM 971 CA GLN A 50 16.005 2.944 -5.217 1.00 0.00 C ATOM 972 C GLN A 50 15.680 2.725 -6.710 1.00 0.00 C ATOM 973 O GLN A 50 15.895 3.620 -7.533 1.00 0.00 O ATOM 974 CB GLN A 50 17.224 2.114 -4.766 1.00 0.00 C ATOM 975 CG GLN A 50 18.475 2.343 -5.635 1.00 0.00 C ATOM 976 CD GLN A 50 19.738 1.675 -5.080 1.00 0.00 C ATOM 977 OE1 GLN A 50 19.730 0.913 -4.120 1.00 0.00 O ATOM 978 NE2 GLN A 50 20.886 1.932 -5.673 1.00 0.00 N ATOM 0 H GLN A 50 14.978 1.757 -3.827 1.00 0.00 H new ATOM 0 HA GLN A 50 16.223 4.010 -5.150 1.00 0.00 H new ATOM 0 HB2 GLN A 50 17.460 2.361 -3.731 1.00 0.00 H new ATOM 0 HB3 GLN A 50 16.963 1.056 -4.790 1.00 0.00 H new ATOM 0 HG2 GLN A 50 18.284 1.963 -6.639 1.00 0.00 H new ATOM 0 HG3 GLN A 50 18.652 3.415 -5.728 1.00 0.00 H new ATOM 0 HE21 GLN A 50 20.916 2.563 -6.474 1.00 0.00 H new ATOM 0 HE22 GLN A 50 21.744 1.500 -5.331 1.00 0.00 H new ATOM 987 N LYS A 51 15.156 1.544 -7.059 1.00 0.00 N ATOM 988 CA LYS A 51 14.786 1.117 -8.425 1.00 0.00 C ATOM 989 C LYS A 51 13.532 1.835 -8.953 1.00 0.00 C ATOM 990 O LYS A 51 12.838 2.542 -8.217 1.00 0.00 O ATOM 991 CB LYS A 51 14.535 -0.411 -8.449 1.00 0.00 C ATOM 992 CG LYS A 51 15.631 -1.280 -7.808 1.00 0.00 C ATOM 993 CD LYS A 51 15.340 -2.785 -7.962 1.00 0.00 C ATOM 994 CE LYS A 51 14.104 -3.231 -7.164 1.00 0.00 C ATOM 995 NZ LYS A 51 13.758 -4.650 -7.423 1.00 0.00 N ATOM 0 H LYS A 51 14.967 0.820 -6.366 1.00 0.00 H new ATOM 0 HA LYS A 51 15.621 1.382 -9.074 1.00 0.00 H new ATOM 0 HB2 LYS A 51 13.593 -0.613 -7.939 1.00 0.00 H new ATOM 0 HB3 LYS A 51 14.410 -0.723 -9.486 1.00 0.00 H new ATOM 0 HG2 LYS A 51 16.592 -1.048 -8.267 1.00 0.00 H new ATOM 0 HG3 LYS A 51 15.716 -1.034 -6.750 1.00 0.00 H new ATOM 0 HD2 LYS A 51 15.190 -3.017 -9.017 1.00 0.00 H new ATOM 0 HD3 LYS A 51 16.208 -3.355 -7.630 1.00 0.00 H new ATOM 0 HE2 LYS A 51 14.290 -3.092 -6.099 1.00 0.00 H new ATOM 0 HE3 LYS A 51 13.256 -2.598 -7.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 12.872 -4.886 -6.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 13.638 -4.797 -8.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 14.522 -5.263 -7.073 1.00 0.00 H new ATOM 1009 N ASP A 52 13.214 1.605 -10.226 1.00 0.00 N ATOM 1010 CA ASP A 52 11.954 1.975 -10.895 1.00 0.00 C ATOM 1011 C ASP A 52 11.057 0.788 -11.319 1.00 0.00 C ATOM 1012 O ASP A 52 9.981 0.971 -11.895 1.00 0.00 O ATOM 1013 CB ASP A 52 12.179 3.008 -12.016 1.00 0.00 C ATOM 1014 CG ASP A 52 13.303 2.680 -13.019 1.00 0.00 C ATOM 1015 OD1 ASP A 52 13.805 1.531 -13.063 1.00 0.00 O ATOM 1016 OD2 ASP A 52 13.680 3.590 -13.797 1.00 0.00 O ATOM 0 H ASP A 52 13.859 1.130 -10.858 1.00 0.00 H new ATOM 0 HA ASP A 52 11.361 2.465 -10.123 1.00 0.00 H new ATOM 0 HB2 ASP A 52 11.247 3.123 -12.569 1.00 0.00 H new ATOM 0 HB3 ASP A 52 12.398 3.972 -11.557 1.00 0.00 H new ATOM 1021 N THR A 53 11.483 -0.436 -10.994 1.00 0.00 N ATOM 1022 CA THR A 53 10.784 -1.708 -11.263 1.00 0.00 C ATOM 1023 C THR A 53 10.896 -2.553 -9.993 1.00 0.00 C ATOM 1024 O THR A 53 11.967 -2.656 -9.390 1.00 0.00 O ATOM 1025 CB THR A 53 11.461 -2.517 -12.388 1.00 0.00 C ATOM 1026 OG1 THR A 53 12.874 -2.426 -12.365 1.00 0.00 O ATOM 1027 CG2 THR A 53 10.993 -2.053 -13.764 1.00 0.00 C ATOM 0 H THR A 53 12.370 -0.580 -10.511 1.00 0.00 H new ATOM 0 HA THR A 53 9.759 -1.484 -11.557 1.00 0.00 H new ATOM 0 HB THR A 53 11.169 -3.551 -12.207 1.00 0.00 H new ATOM 0 HG1 THR A 53 13.190 -2.473 -11.438 1.00 0.00 H new ATOM 0 HG21 THR A 53 11.489 -2.643 -14.535 1.00 0.00 H new ATOM 0 HG22 THR A 53 9.914 -2.184 -13.845 1.00 0.00 H new ATOM 0 HG23 THR A 53 11.242 -1.000 -13.897 1.00 0.00 H new ATOM 1035 N TYR A 54 9.791 -3.203 -9.619 1.00 0.00 N ATOM 1036 CA TYR A 54 9.631 -3.958 -8.372 1.00 0.00 C ATOM 1037 C TYR A 54 8.791 -5.230 -8.502 1.00 0.00 C ATOM 1038 O TYR A 54 7.977 -5.321 -9.420 1.00 0.00 O ATOM 1039 CB TYR A 54 9.032 -3.041 -7.295 1.00 0.00 C ATOM 1040 CG TYR A 54 9.955 -1.937 -6.838 1.00 0.00 C ATOM 1041 CD1 TYR A 54 11.005 -2.226 -5.948 1.00 0.00 C ATOM 1042 CD2 TYR A 54 9.791 -0.632 -7.344 1.00 0.00 C ATOM 1043 CE1 TYR A 54 11.911 -1.220 -5.577 1.00 0.00 C ATOM 1044 CE2 TYR A 54 10.697 0.376 -6.974 1.00 0.00 C ATOM 1045 CZ TYR A 54 11.757 0.077 -6.096 1.00 0.00 C ATOM 1046 OH TYR A 54 12.673 1.023 -5.794 1.00 0.00 O ATOM 0 H TYR A 54 8.951 -3.219 -10.198 1.00 0.00 H new ATOM 0 HA TYR A 54 10.629 -4.295 -8.091 1.00 0.00 H new ATOM 0 HB2 TYR A 54 8.115 -2.596 -7.682 1.00 0.00 H new ATOM 0 HB3 TYR A 54 8.753 -3.646 -6.433 1.00 0.00 H new ATOM 0 HD1 TYR A 54 11.114 -3.224 -5.549 1.00 0.00 H new ATOM 0 HD2 TYR A 54 8.973 -0.408 -8.013 1.00 0.00 H new ATOM 0 HE1 TYR A 54 12.721 -1.441 -4.897 1.00 0.00 H new ATOM 0 HE2 TYR A 54 10.581 1.377 -7.362 1.00 0.00 H new ATOM 0 HH TYR A 54 12.714 1.682 -6.518 1.00 0.00 H new ATOM 1056 N THR A 55 8.963 -6.198 -7.602 1.00 0.00 N ATOM 1057 CA THR A 55 8.036 -7.339 -7.443 1.00 0.00 C ATOM 1058 C THR A 55 6.776 -6.998 -6.639 1.00 0.00 C ATOM 1059 O THR A 55 6.785 -6.025 -5.885 1.00 0.00 O ATOM 1060 CB THR A 55 8.709 -8.622 -6.923 1.00 0.00 C ATOM 1061 OG1 THR A 55 8.683 -8.646 -5.511 1.00 0.00 O ATOM 1062 CG2 THR A 55 10.157 -8.814 -7.364 1.00 0.00 C ATOM 0 H THR A 55 9.751 -6.221 -6.955 1.00 0.00 H new ATOM 0 HA THR A 55 7.710 -7.555 -8.460 1.00 0.00 H new ATOM 0 HB THR A 55 8.129 -9.434 -7.361 1.00 0.00 H new ATOM 0 HG1 THR A 55 9.112 -9.467 -5.190 1.00 0.00 H new ATOM 0 HG21 THR A 55 10.544 -9.744 -6.948 1.00 0.00 H new ATOM 0 HG22 THR A 55 10.203 -8.856 -8.452 1.00 0.00 H new ATOM 0 HG23 THR A 55 10.760 -7.979 -7.007 1.00 0.00 H new ATOM 1070 N MET A 56 5.704 -7.800 -6.710 1.00 0.00 N ATOM 1071 CA MET A 56 4.545 -7.617 -5.811 1.00 0.00 C ATOM 1072 C MET A 56 4.931 -7.648 -4.321 1.00 0.00 C ATOM 1073 O MET A 56 4.406 -6.859 -3.534 1.00 0.00 O ATOM 1074 CB MET A 56 3.448 -8.665 -6.083 1.00 0.00 C ATOM 1075 CG MET A 56 2.527 -8.256 -7.235 1.00 0.00 C ATOM 1076 SD MET A 56 1.554 -6.753 -6.912 1.00 0.00 S ATOM 1077 CE MET A 56 0.907 -6.442 -8.573 1.00 0.00 C ATOM 0 H MET A 56 5.611 -8.573 -7.369 1.00 0.00 H new ATOM 0 HA MET A 56 4.155 -6.623 -6.032 1.00 0.00 H new ATOM 0 HB2 MET A 56 3.913 -9.623 -6.315 1.00 0.00 H new ATOM 0 HB3 MET A 56 2.855 -8.809 -5.180 1.00 0.00 H new ATOM 0 HG2 MET A 56 3.130 -8.100 -8.130 1.00 0.00 H new ATOM 0 HG3 MET A 56 1.845 -9.078 -7.450 1.00 0.00 H new ATOM 0 HE1 MET A 56 0.283 -5.549 -8.559 1.00 0.00 H new ATOM 0 HE2 MET A 56 1.736 -6.294 -9.265 1.00 0.00 H new ATOM 0 HE3 MET A 56 0.312 -7.296 -8.897 1.00 0.00 H new ATOM 1087 N LYS A 57 5.892 -8.506 -3.941 1.00 0.00 N ATOM 1088 CA LYS A 57 6.428 -8.607 -2.575 1.00 0.00 C ATOM 1089 C LYS A 57 7.120 -7.304 -2.162 1.00 0.00 C ATOM 1090 O LYS A 57 6.883 -6.798 -1.068 1.00 0.00 O ATOM 1091 CB LYS A 57 7.419 -9.790 -2.517 1.00 0.00 C ATOM 1092 CG LYS A 57 7.568 -10.383 -1.108 1.00 0.00 C ATOM 1093 CD LYS A 57 6.474 -11.427 -0.841 1.00 0.00 C ATOM 1094 CE LYS A 57 6.512 -12.019 0.573 1.00 0.00 C ATOM 1095 NZ LYS A 57 7.652 -12.934 0.811 1.00 0.00 N ATOM 0 H LYS A 57 6.327 -9.163 -4.589 1.00 0.00 H new ATOM 0 HA LYS A 57 5.609 -8.779 -1.877 1.00 0.00 H new ATOM 0 HB2 LYS A 57 7.084 -10.571 -3.200 1.00 0.00 H new ATOM 0 HB3 LYS A 57 8.395 -9.456 -2.869 1.00 0.00 H new ATOM 0 HG2 LYS A 57 8.550 -10.843 -1.004 1.00 0.00 H new ATOM 0 HG3 LYS A 57 7.508 -9.588 -0.365 1.00 0.00 H new ATOM 0 HD2 LYS A 57 5.499 -10.968 -1.006 1.00 0.00 H new ATOM 0 HD3 LYS A 57 6.572 -12.235 -1.566 1.00 0.00 H new ATOM 0 HE2 LYS A 57 6.556 -11.205 1.296 1.00 0.00 H new ATOM 0 HE3 LYS A 57 5.582 -12.558 0.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 7.564 -13.359 1.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 7.650 -13.685 0.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 8.543 -12.401 0.752 1.00 0.00 H new ATOM 1109 N GLU A 58 7.935 -6.739 -3.054 1.00 0.00 N ATOM 1110 CA GLU A 58 8.665 -5.484 -2.836 1.00 0.00 C ATOM 1111 C GLU A 58 7.748 -4.251 -2.767 1.00 0.00 C ATOM 1112 O GLU A 58 7.920 -3.413 -1.880 1.00 0.00 O ATOM 1113 CB GLU A 58 9.709 -5.295 -3.945 1.00 0.00 C ATOM 1114 CG GLU A 58 10.873 -6.294 -3.859 1.00 0.00 C ATOM 1115 CD GLU A 58 11.860 -6.163 -5.036 1.00 0.00 C ATOM 1116 OE1 GLU A 58 11.496 -5.620 -6.107 1.00 0.00 O ATOM 1117 OE2 GLU A 58 13.032 -6.587 -4.898 1.00 0.00 O ATOM 0 H GLU A 58 8.112 -7.149 -3.971 1.00 0.00 H new ATOM 0 HA GLU A 58 9.151 -5.566 -1.864 1.00 0.00 H new ATOM 0 HB2 GLU A 58 9.222 -5.398 -4.915 1.00 0.00 H new ATOM 0 HB3 GLU A 58 10.105 -4.281 -3.893 1.00 0.00 H new ATOM 0 HG2 GLU A 58 11.409 -6.141 -2.922 1.00 0.00 H new ATOM 0 HG3 GLU A 58 10.475 -7.308 -3.836 1.00 0.00 H new ATOM 1124 N VAL A 59 6.748 -4.145 -3.655 1.00 0.00 N ATOM 1125 CA VAL A 59 5.764 -3.046 -3.629 1.00 0.00 C ATOM 1126 C VAL A 59 4.935 -3.099 -2.342 1.00 0.00 C ATOM 1127 O VAL A 59 4.843 -2.088 -1.646 1.00 0.00 O ATOM 1128 CB VAL A 59 4.849 -3.048 -4.871 1.00 0.00 C ATOM 1129 CG1 VAL A 59 3.836 -1.901 -4.836 1.00 0.00 C ATOM 1130 CG2 VAL A 59 5.634 -2.865 -6.176 1.00 0.00 C ATOM 0 H VAL A 59 6.597 -4.815 -4.409 1.00 0.00 H new ATOM 0 HA VAL A 59 6.324 -2.111 -3.650 1.00 0.00 H new ATOM 0 HB VAL A 59 4.354 -4.019 -4.846 1.00 0.00 H new ATOM 0 HG11 VAL A 59 3.212 -1.939 -5.729 1.00 0.00 H new ATOM 0 HG12 VAL A 59 3.208 -1.997 -3.950 1.00 0.00 H new ATOM 0 HG13 VAL A 59 4.365 -0.949 -4.804 1.00 0.00 H new ATOM 0 HG21 VAL A 59 4.944 -2.874 -7.020 1.00 0.00 H new ATOM 0 HG22 VAL A 59 6.165 -1.913 -6.151 1.00 0.00 H new ATOM 0 HG23 VAL A 59 6.352 -3.678 -6.286 1.00 0.00 H new ATOM 1140 N LEU A 60 4.380 -4.265 -1.978 1.00 0.00 N ATOM 1141 CA LEU A 60 3.678 -4.449 -0.701 1.00 0.00 C ATOM 1142 C LEU A 60 4.587 -4.142 0.500 1.00 0.00 C ATOM 1143 O LEU A 60 4.139 -3.465 1.424 1.00 0.00 O ATOM 1144 CB LEU A 60 3.106 -5.877 -0.598 1.00 0.00 C ATOM 1145 CG LEU A 60 1.880 -6.137 -1.496 1.00 0.00 C ATOM 1146 CD1 LEU A 60 1.552 -7.630 -1.506 1.00 0.00 C ATOM 1147 CD2 LEU A 60 0.632 -5.401 -1.000 1.00 0.00 C ATOM 0 H LEU A 60 4.405 -5.103 -2.559 1.00 0.00 H new ATOM 0 HA LEU A 60 2.852 -3.738 -0.676 1.00 0.00 H new ATOM 0 HB2 LEU A 60 3.889 -6.589 -0.858 1.00 0.00 H new ATOM 0 HB3 LEU A 60 2.830 -6.071 0.438 1.00 0.00 H new ATOM 0 HG LEU A 60 2.139 -5.775 -2.491 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.685 -7.808 -2.142 1.00 0.00 H new ATOM 0 HD12 LEU A 60 2.405 -8.187 -1.892 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.331 -7.961 -0.491 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -0.205 -5.615 -1.665 1.00 0.00 H new ATOM 0 HD22 LEU A 60 0.389 -5.735 0.009 1.00 0.00 H new ATOM 0 HD23 LEU A 60 0.822 -4.328 -0.990 1.00 0.00 H new ATOM 1159 N PHE A 61 5.857 -4.561 0.489 1.00 0.00 N ATOM 1160 CA PHE A 61 6.839 -4.152 1.499 1.00 0.00 C ATOM 1161 C PHE A 61 6.976 -2.638 1.706 1.00 0.00 C ATOM 1162 O PHE A 61 6.705 -2.126 2.793 1.00 0.00 O ATOM 1163 CB PHE A 61 8.180 -4.889 1.334 1.00 0.00 C ATOM 1164 CG PHE A 61 9.346 -4.265 2.081 1.00 0.00 C ATOM 1165 CD1 PHE A 61 9.599 -4.626 3.419 1.00 0.00 C ATOM 1166 CD2 PHE A 61 10.169 -3.311 1.449 1.00 0.00 C ATOM 1167 CE1 PHE A 61 10.660 -4.029 4.124 1.00 0.00 C ATOM 1168 CE2 PHE A 61 11.226 -2.711 2.156 1.00 0.00 C ATOM 1169 CZ PHE A 61 11.472 -3.069 3.493 1.00 0.00 C ATOM 0 H PHE A 61 6.233 -5.192 -0.219 1.00 0.00 H new ATOM 0 HA PHE A 61 6.420 -4.482 2.450 1.00 0.00 H new ATOM 0 HB2 PHE A 61 8.058 -5.917 1.674 1.00 0.00 H new ATOM 0 HB3 PHE A 61 8.427 -4.931 0.273 1.00 0.00 H new ATOM 0 HD1 PHE A 61 8.977 -5.363 3.905 1.00 0.00 H new ATOM 0 HD2 PHE A 61 9.987 -3.040 0.419 1.00 0.00 H new ATOM 0 HE1 PHE A 61 10.851 -4.308 5.150 1.00 0.00 H new ATOM 0 HE2 PHE A 61 11.850 -1.974 1.671 1.00 0.00 H new ATOM 0 HZ PHE A 61 12.284 -2.607 4.035 1.00 0.00 H new ATOM 1179 N TYR A 62 7.320 -1.911 0.641 1.00 0.00 N ATOM 1180 CA TYR A 62 7.415 -0.452 0.668 1.00 0.00 C ATOM 1181 C TYR A 62 6.131 0.307 1.024 1.00 0.00 C ATOM 1182 O TYR A 62 6.169 1.278 1.780 1.00 0.00 O ATOM 1183 CB TYR A 62 8.054 0.075 -0.620 1.00 0.00 C ATOM 1184 CG TYR A 62 9.557 -0.084 -0.741 1.00 0.00 C ATOM 1185 CD1 TYR A 62 10.421 0.548 0.175 1.00 0.00 C ATOM 1186 CD2 TYR A 62 10.094 -0.822 -1.812 1.00 0.00 C ATOM 1187 CE1 TYR A 62 11.816 0.466 0.009 1.00 0.00 C ATOM 1188 CE2 TYR A 62 11.486 -0.918 -1.974 1.00 0.00 C ATOM 1189 CZ TYR A 62 12.354 -0.268 -1.071 1.00 0.00 C ATOM 1190 OH TYR A 62 13.703 -0.348 -1.251 1.00 0.00 O ATOM 0 H TYR A 62 7.541 -2.320 -0.267 1.00 0.00 H new ATOM 0 HA TYR A 62 8.069 -0.238 1.514 1.00 0.00 H new ATOM 0 HB2 TYR A 62 7.588 -0.432 -1.465 1.00 0.00 H new ATOM 0 HB3 TYR A 62 7.814 1.134 -0.712 1.00 0.00 H new ATOM 0 HD1 TYR A 62 10.011 1.098 1.009 1.00 0.00 H new ATOM 0 HD2 TYR A 62 9.435 -1.316 -2.511 1.00 0.00 H new ATOM 0 HE1 TYR A 62 12.474 0.963 0.706 1.00 0.00 H new ATOM 0 HE2 TYR A 62 11.894 -1.492 -2.793 1.00 0.00 H new ATOM 0 HH TYR A 62 13.896 -0.894 -2.042 1.00 0.00 H new ATOM 1200 N LEU A 63 4.982 -0.165 0.534 1.00 0.00 N ATOM 1201 CA LEU A 63 3.667 0.384 0.852 1.00 0.00 C ATOM 1202 C LEU A 63 3.316 0.195 2.338 1.00 0.00 C ATOM 1203 O LEU A 63 2.897 1.147 2.995 1.00 0.00 O ATOM 1204 CB LEU A 63 2.645 -0.257 -0.103 1.00 0.00 C ATOM 1205 CG LEU A 63 1.180 0.132 0.153 1.00 0.00 C ATOM 1206 CD1 LEU A 63 0.962 1.640 0.094 1.00 0.00 C ATOM 1207 CD2 LEU A 63 0.290 -0.498 -0.917 1.00 0.00 C ATOM 0 H LEU A 63 4.942 -0.956 -0.108 1.00 0.00 H new ATOM 0 HA LEU A 63 3.657 1.464 0.702 1.00 0.00 H new ATOM 0 HB2 LEU A 63 2.904 0.018 -1.125 1.00 0.00 H new ATOM 0 HB3 LEU A 63 2.735 -1.341 -0.032 1.00 0.00 H new ATOM 0 HG LEU A 63 0.929 -0.225 1.152 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -0.088 1.863 0.281 1.00 0.00 H new ATOM 0 HD12 LEU A 63 1.577 2.126 0.851 1.00 0.00 H new ATOM 0 HD13 LEU A 63 1.241 2.010 -0.893 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -0.749 -0.222 -0.735 1.00 0.00 H new ATOM 0 HD22 LEU A 63 0.594 -0.139 -1.900 1.00 0.00 H new ATOM 0 HD23 LEU A 63 0.389 -1.583 -0.880 1.00 0.00 H new ATOM 1219 N GLY A 64 3.565 -0.990 2.904 1.00 0.00 N ATOM 1220 CA GLY A 64 3.381 -1.246 4.336 1.00 0.00 C ATOM 1221 C GLY A 64 4.314 -0.404 5.213 1.00 0.00 C ATOM 1222 O GLY A 64 3.869 0.182 6.200 1.00 0.00 O ATOM 0 H GLY A 64 3.900 -1.800 2.382 1.00 0.00 H new ATOM 0 HA2 GLY A 64 2.346 -1.037 4.608 1.00 0.00 H new ATOM 0 HA3 GLY A 64 3.556 -2.303 4.537 1.00 0.00 H new ATOM 1226 N GLN A 65 5.584 -0.257 4.818 1.00 0.00 N ATOM 1227 CA GLN A 65 6.533 0.659 5.465 1.00 0.00 C ATOM 1228 C GLN A 65 6.081 2.129 5.399 1.00 0.00 C ATOM 1229 O GLN A 65 6.238 2.863 6.378 1.00 0.00 O ATOM 1230 CB GLN A 65 7.933 0.491 4.847 1.00 0.00 C ATOM 1231 CG GLN A 65 8.605 -0.854 5.192 1.00 0.00 C ATOM 1232 CD GLN A 65 9.035 -0.994 6.652 1.00 0.00 C ATOM 1233 OE1 GLN A 65 9.193 -0.036 7.398 1.00 0.00 O ATOM 1234 NE2 GLN A 65 9.245 -2.205 7.123 1.00 0.00 N ATOM 0 H GLN A 65 5.986 -0.773 4.035 1.00 0.00 H new ATOM 0 HA GLN A 65 6.569 0.393 6.522 1.00 0.00 H new ATOM 0 HB2 GLN A 65 7.856 0.581 3.763 1.00 0.00 H new ATOM 0 HB3 GLN A 65 8.572 1.305 5.190 1.00 0.00 H new ATOM 0 HG2 GLN A 65 7.915 -1.662 4.951 1.00 0.00 H new ATOM 0 HG3 GLN A 65 9.480 -0.982 4.555 1.00 0.00 H new ATOM 0 HE21 GLN A 65 9.119 -3.016 6.518 1.00 0.00 H new ATOM 0 HE22 GLN A 65 9.534 -2.332 8.093 1.00 0.00 H new ATOM 1243 N TYR A 66 5.458 2.555 4.292 1.00 0.00 N ATOM 1244 CA TYR A 66 4.856 3.880 4.164 1.00 0.00 C ATOM 1245 C TYR A 66 3.674 4.107 5.110 1.00 0.00 C ATOM 1246 O TYR A 66 3.664 5.067 5.879 1.00 0.00 O ATOM 1247 CB TYR A 66 4.555 4.205 2.692 1.00 0.00 C ATOM 1248 CG TYR A 66 3.763 5.479 2.446 1.00 0.00 C ATOM 1249 CD1 TYR A 66 2.353 5.481 2.506 1.00 0.00 C ATOM 1250 CD2 TYR A 66 4.449 6.662 2.106 1.00 0.00 C ATOM 1251 CE1 TYR A 66 1.636 6.661 2.227 1.00 0.00 C ATOM 1252 CE2 TYR A 66 3.735 7.839 1.815 1.00 0.00 C ATOM 1253 CZ TYR A 66 2.326 7.839 1.867 1.00 0.00 C ATOM 1254 OH TYR A 66 1.647 8.981 1.581 1.00 0.00 O ATOM 0 H TYR A 66 5.359 1.981 3.455 1.00 0.00 H new ATOM 0 HA TYR A 66 5.595 4.608 4.499 1.00 0.00 H new ATOM 0 HB2 TYR A 66 5.501 4.278 2.155 1.00 0.00 H new ATOM 0 HB3 TYR A 66 4.006 3.369 2.259 1.00 0.00 H new ATOM 0 HD1 TYR A 66 1.823 4.577 2.766 1.00 0.00 H new ATOM 0 HD2 TYR A 66 5.528 6.665 2.069 1.00 0.00 H new ATOM 0 HE1 TYR A 66 0.558 6.665 2.289 1.00 0.00 H new ATOM 0 HE2 TYR A 66 4.266 8.742 1.552 1.00 0.00 H new ATOM 0 HH TYR A 66 0.718 8.893 1.880 1.00 0.00 H new ATOM 1264 N ILE A 67 2.729 3.162 5.134 1.00 0.00 N ATOM 1265 CA ILE A 67 1.556 3.184 6.020 1.00 0.00 C ATOM 1266 C ILE A 67 1.972 3.216 7.501 1.00 0.00 C ATOM 1267 O ILE A 67 1.392 3.978 8.280 1.00 0.00 O ATOM 1268 CB ILE A 67 0.625 1.990 5.698 1.00 0.00 C ATOM 1269 CG1 ILE A 67 0.037 2.116 4.272 1.00 0.00 C ATOM 1270 CG2 ILE A 67 -0.521 1.892 6.722 1.00 0.00 C ATOM 1271 CD1 ILE A 67 -0.455 0.784 3.689 1.00 0.00 C ATOM 0 H ILE A 67 2.757 2.343 4.527 1.00 0.00 H new ATOM 0 HA ILE A 67 0.997 4.102 5.838 1.00 0.00 H new ATOM 0 HB ILE A 67 1.226 1.082 5.754 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -0.793 2.823 4.292 1.00 0.00 H new ATOM 0 HG13 ILE A 67 0.796 2.534 3.611 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -1.160 1.045 6.473 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -0.106 1.752 7.720 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -1.109 2.809 6.699 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -0.854 0.950 2.688 1.00 0.00 H new ATOM 0 HD12 ILE A 67 0.376 0.081 3.637 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -1.237 0.374 4.328 1.00 0.00 H new ATOM 1283 N MET A 68 3.013 2.460 7.877 1.00 0.00 N ATOM 1284 CA MET A 68 3.611 2.499 9.217 1.00 0.00 C ATOM 1285 C MET A 68 4.236 3.850 9.567 1.00 0.00 C ATOM 1286 O MET A 68 3.853 4.448 10.571 1.00 0.00 O ATOM 1287 CB MET A 68 4.645 1.381 9.404 1.00 0.00 C ATOM 1288 CG MET A 68 3.965 0.025 9.608 1.00 0.00 C ATOM 1289 SD MET A 68 5.064 -1.308 10.153 1.00 0.00 S ATOM 1290 CE MET A 68 6.122 -1.463 8.695 1.00 0.00 C ATOM 0 H MET A 68 3.468 1.796 7.251 1.00 0.00 H new ATOM 0 HA MET A 68 2.782 2.342 9.907 1.00 0.00 H new ATOM 0 HB2 MET A 68 5.297 1.336 8.532 1.00 0.00 H new ATOM 0 HB3 MET A 68 5.277 1.607 10.263 1.00 0.00 H new ATOM 0 HG2 MET A 68 3.168 0.142 10.343 1.00 0.00 H new ATOM 0 HG3 MET A 68 3.494 -0.273 8.671 1.00 0.00 H new ATOM 0 HE1 MET A 68 6.715 -2.374 8.771 1.00 0.00 H new ATOM 0 HE2 MET A 68 5.503 -1.507 7.799 1.00 0.00 H new ATOM 0 HE3 MET A 68 6.787 -0.601 8.635 1.00 0.00 H new ATOM 1300 N THR A 69 5.168 4.363 8.756 1.00 0.00 N ATOM 1301 CA THR A 69 5.832 5.649 9.037 1.00 0.00 C ATOM 1302 C THR A 69 4.913 6.876 9.020 1.00 0.00 C ATOM 1303 O THR A 69 5.082 7.809 9.810 1.00 0.00 O ATOM 1304 CB THR A 69 7.119 5.819 8.211 1.00 0.00 C ATOM 1305 OG1 THR A 69 7.988 6.710 8.877 1.00 0.00 O ATOM 1306 CG2 THR A 69 6.883 6.364 6.804 1.00 0.00 C ATOM 0 H THR A 69 5.482 3.910 7.898 1.00 0.00 H new ATOM 0 HA THR A 69 6.134 5.594 10.083 1.00 0.00 H new ATOM 0 HB THR A 69 7.546 4.821 8.112 1.00 0.00 H new ATOM 0 HG1 THR A 69 8.809 6.819 8.353 1.00 0.00 H new ATOM 0 HG21 THR A 69 7.837 6.456 6.285 1.00 0.00 H new ATOM 0 HG22 THR A 69 6.234 5.682 6.254 1.00 0.00 H new ATOM 0 HG23 THR A 69 6.409 7.344 6.868 1.00 0.00 H new ATOM 1314 N LYS A 70 3.865 6.838 8.191 1.00 0.00 N ATOM 1315 CA LYS A 70 2.787 7.842 8.124 1.00 0.00 C ATOM 1316 C LYS A 70 1.696 7.672 9.201 1.00 0.00 C ATOM 1317 O LYS A 70 0.907 8.595 9.402 1.00 0.00 O ATOM 1318 CB LYS A 70 2.175 7.785 6.714 1.00 0.00 C ATOM 1319 CG LYS A 70 3.138 8.178 5.577 1.00 0.00 C ATOM 1320 CD LYS A 70 3.122 9.665 5.199 1.00 0.00 C ATOM 1321 CE LYS A 70 1.755 10.052 4.619 1.00 0.00 C ATOM 1322 NZ LYS A 70 1.827 11.266 3.770 1.00 0.00 N ATOM 0 H LYS A 70 3.735 6.080 7.521 1.00 0.00 H new ATOM 0 HA LYS A 70 3.228 8.818 8.328 1.00 0.00 H new ATOM 0 HB2 LYS A 70 1.812 6.774 6.531 1.00 0.00 H new ATOM 0 HB3 LYS A 70 1.308 8.445 6.682 1.00 0.00 H new ATOM 0 HG2 LYS A 70 4.152 7.904 5.869 1.00 0.00 H new ATOM 0 HG3 LYS A 70 2.891 7.591 4.692 1.00 0.00 H new ATOM 0 HD2 LYS A 70 3.337 10.273 6.078 1.00 0.00 H new ATOM 0 HD3 LYS A 70 3.906 9.870 4.470 1.00 0.00 H new ATOM 0 HE2 LYS A 70 1.365 9.222 4.030 1.00 0.00 H new ATOM 0 HE3 LYS A 70 1.052 10.223 5.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 0.914 11.411 3.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 2.043 12.092 4.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 2.575 11.147 3.057 1.00 0.00 H new ATOM 1336 N ARG A 71 1.636 6.512 9.879 1.00 0.00 N ATOM 1337 CA ARG A 71 0.615 6.120 10.876 1.00 0.00 C ATOM 1338 C ARG A 71 -0.833 6.271 10.368 1.00 0.00 C ATOM 1339 O ARG A 71 -1.690 6.841 11.043 1.00 0.00 O ATOM 1340 CB ARG A 71 0.860 6.783 12.254 1.00 0.00 C ATOM 1341 CG ARG A 71 2.099 6.293 13.024 1.00 0.00 C ATOM 1342 CD ARG A 71 3.411 6.978 12.621 1.00 0.00 C ATOM 1343 NE ARG A 71 4.512 6.572 13.516 1.00 0.00 N ATOM 1344 CZ ARG A 71 5.804 6.804 13.360 1.00 0.00 C ATOM 1345 NH1 ARG A 71 6.289 7.432 12.328 1.00 0.00 N ATOM 1346 NH2 ARG A 71 6.653 6.404 14.263 1.00 0.00 N ATOM 0 H ARG A 71 2.334 5.781 9.741 1.00 0.00 H new ATOM 0 HA ARG A 71 0.738 5.048 11.030 1.00 0.00 H new ATOM 0 HB2 ARG A 71 0.949 7.859 12.107 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -0.019 6.618 12.876 1.00 0.00 H new ATOM 0 HG2 ARG A 71 1.934 6.450 14.090 1.00 0.00 H new ATOM 0 HG3 ARG A 71 2.204 5.219 12.873 1.00 0.00 H new ATOM 0 HD2 ARG A 71 3.660 6.720 11.592 1.00 0.00 H new ATOM 0 HD3 ARG A 71 3.287 8.060 12.657 1.00 0.00 H new ATOM 0 HE ARG A 71 4.245 6.052 14.352 1.00 0.00 H new ATOM 0 HH11 ARG A 71 5.664 7.769 11.596 1.00 0.00 H new ATOM 0 HH12 ARG A 71 7.294 7.587 12.252 1.00 0.00 H new ATOM 0 HH21 ARG A 71 6.321 5.911 15.092 1.00 0.00 H new ATOM 0 HH22 ARG A 71 7.650 6.584 14.141 1.00 0.00 H new ATOM 1360 N LEU A 72 -1.104 5.787 9.149 1.00 0.00 N ATOM 1361 CA LEU A 72 -2.420 5.931 8.493 1.00 0.00 C ATOM 1362 C LEU A 72 -3.501 4.978 9.032 1.00 0.00 C ATOM 1363 O LEU A 72 -4.680 5.153 8.729 1.00 0.00 O ATOM 1364 CB LEU A 72 -2.287 5.785 6.964 1.00 0.00 C ATOM 1365 CG LEU A 72 -1.293 6.757 6.314 1.00 0.00 C ATOM 1366 CD1 LEU A 72 -1.155 6.475 4.823 1.00 0.00 C ATOM 1367 CD2 LEU A 72 -1.720 8.209 6.496 1.00 0.00 C ATOM 0 H LEU A 72 -0.419 5.283 8.585 1.00 0.00 H new ATOM 0 HA LEU A 72 -2.760 6.937 8.738 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -1.980 4.765 6.735 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -3.268 5.932 6.511 1.00 0.00 H new ATOM 0 HG LEU A 72 -0.336 6.604 6.812 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -0.445 7.176 4.384 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -0.796 5.456 4.677 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -2.125 6.590 4.340 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -0.990 8.865 6.022 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -2.697 8.361 6.037 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -1.779 8.440 7.560 1.00 0.00 H new ATOM 1379 N TYR A 73 -3.127 3.969 9.820 1.00 0.00 N ATOM 1380 CA TYR A 73 -4.077 3.076 10.492 1.00 0.00 C ATOM 1381 C TYR A 73 -4.957 3.687 11.599 1.00 0.00 C ATOM 1382 O TYR A 73 -4.532 4.622 12.283 1.00 0.00 O ATOM 1383 CB TYR A 73 -3.412 1.760 10.917 1.00 0.00 C ATOM 1384 CG TYR A 73 -2.048 1.914 11.569 1.00 0.00 C ATOM 1385 CD1 TYR A 73 -1.944 2.478 12.856 1.00 0.00 C ATOM 1386 CD2 TYR A 73 -0.887 1.492 10.894 1.00 0.00 C ATOM 1387 CE1 TYR A 73 -0.683 2.622 13.467 1.00 0.00 C ATOM 1388 CE2 TYR A 73 0.372 1.616 11.511 1.00 0.00 C ATOM 1389 CZ TYR A 73 0.480 2.187 12.797 1.00 0.00 C ATOM 1390 OH TYR A 73 1.693 2.318 13.401 1.00 0.00 O ATOM 0 H TYR A 73 -2.151 3.745 10.012 1.00 0.00 H new ATOM 0 HA TYR A 73 -4.813 2.863 9.716 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -4.074 1.243 11.611 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -3.309 1.122 10.039 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -2.834 2.801 13.376 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -0.962 1.073 9.902 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -0.606 3.066 14.449 1.00 0.00 H new ATOM 0 HE2 TYR A 73 1.259 1.273 10.998 1.00 0.00 H new ATOM 0 HH TYR A 73 2.392 1.970 12.809 1.00 0.00 H new ATOM 1400 N ASP A 74 -6.163 3.152 11.820 1.00 0.00 N ATOM 1401 CA ASP A 74 -6.972 3.491 13.002 1.00 0.00 C ATOM 1402 C ASP A 74 -6.306 3.052 14.319 1.00 0.00 C ATOM 1403 O ASP A 74 -5.933 1.887 14.454 1.00 0.00 O ATOM 1404 CB ASP A 74 -8.424 2.998 12.861 1.00 0.00 C ATOM 1405 CG ASP A 74 -9.262 3.003 14.148 1.00 0.00 C ATOM 1406 OD1 ASP A 74 -9.045 3.858 15.037 1.00 0.00 O ATOM 1407 OD2 ASP A 74 -10.172 2.153 14.261 1.00 0.00 O ATOM 0 H ASP A 74 -6.604 2.479 11.194 1.00 0.00 H new ATOM 0 HA ASP A 74 -7.023 4.579 13.053 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -8.928 3.619 12.120 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -8.406 1.982 12.466 1.00 0.00 H new ATOM 1412 N GLU A 75 -6.162 3.945 15.302 1.00 0.00 N ATOM 1413 CA GLU A 75 -5.568 3.613 16.607 1.00 0.00 C ATOM 1414 C GLU A 75 -6.313 2.481 17.345 1.00 0.00 C ATOM 1415 O GLU A 75 -5.679 1.702 18.063 1.00 0.00 O ATOM 1416 CB GLU A 75 -5.461 4.879 17.478 1.00 0.00 C ATOM 1417 CG GLU A 75 -6.808 5.521 17.857 1.00 0.00 C ATOM 1418 CD GLU A 75 -6.668 6.839 18.654 1.00 0.00 C ATOM 1419 OE1 GLU A 75 -5.544 7.224 19.064 1.00 0.00 O ATOM 1420 OE2 GLU A 75 -7.706 7.507 18.889 1.00 0.00 O ATOM 0 H GLU A 75 -6.453 4.919 15.219 1.00 0.00 H new ATOM 0 HA GLU A 75 -4.566 3.228 16.415 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -4.924 4.628 18.393 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -4.860 5.617 16.948 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -7.376 5.716 16.947 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -7.386 4.810 18.447 1.00 0.00 H new ATOM 1427 N LYS A 76 -7.633 2.346 17.136 1.00 0.00 N ATOM 1428 CA LYS A 76 -8.444 1.231 17.653 1.00 0.00 C ATOM 1429 C LYS A 76 -8.286 -0.015 16.776 1.00 0.00 C ATOM 1430 O LYS A 76 -7.654 -0.979 17.214 1.00 0.00 O ATOM 1431 CB LYS A 76 -9.920 1.646 17.831 1.00 0.00 C ATOM 1432 CG LYS A 76 -10.144 2.907 18.690 1.00 0.00 C ATOM 1433 CD LYS A 76 -9.564 2.854 20.113 1.00 0.00 C ATOM 1434 CE LYS A 76 -10.179 1.723 20.947 1.00 0.00 C ATOM 1435 NZ LYS A 76 -9.680 1.740 22.347 1.00 0.00 N ATOM 0 H LYS A 76 -8.175 3.019 16.594 1.00 0.00 H new ATOM 0 HA LYS A 76 -8.073 0.970 18.644 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -10.356 1.814 16.846 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -10.463 0.816 18.283 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -9.708 3.760 18.171 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -11.216 3.091 18.761 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -8.484 2.717 20.059 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -9.740 3.807 20.611 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -11.265 1.819 20.946 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -9.944 0.763 20.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -10.117 0.962 22.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -8.647 1.623 22.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -9.927 2.647 22.793 1.00 0.00 H new ATOM 1449 N GLN A 77 -8.791 0.000 15.539 1.00 0.00 N ATOM 1450 CA GLN A 77 -8.687 -1.117 14.597 1.00 0.00 C ATOM 1451 C GLN A 77 -7.501 -0.912 13.645 1.00 0.00 C ATOM 1452 O GLN A 77 -7.663 -0.425 12.527 1.00 0.00 O ATOM 1453 CB GLN A 77 -10.009 -1.299 13.825 1.00 0.00 C ATOM 1454 CG GLN A 77 -11.242 -1.571 14.702 1.00 0.00 C ATOM 1455 CD GLN A 77 -11.039 -2.680 15.734 1.00 0.00 C ATOM 1456 OE1 GLN A 77 -10.970 -2.446 16.933 1.00 0.00 O ATOM 1457 NE2 GLN A 77 -10.771 -3.901 15.317 1.00 0.00 N ATOM 0 H GLN A 77 -9.292 0.803 15.158 1.00 0.00 H new ATOM 0 HA GLN A 77 -8.504 -2.032 15.160 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -10.193 -0.402 13.234 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -9.892 -2.125 13.123 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -11.516 -0.652 15.220 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -12.081 -1.837 14.059 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -10.821 -4.123 14.323 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -10.513 -4.624 15.989 1.00 0.00 H new ATOM 1466 N GLN A 78 -6.296 -1.316 14.059 1.00 0.00 N ATOM 1467 CA GLN A 78 -5.082 -1.103 13.254 1.00 0.00 C ATOM 1468 C GLN A 78 -5.064 -1.916 11.947 1.00 0.00 C ATOM 1469 O GLN A 78 -4.299 -1.615 11.033 1.00 0.00 O ATOM 1470 CB GLN A 78 -3.825 -1.332 14.102 1.00 0.00 C ATOM 1471 CG GLN A 78 -3.645 -0.218 15.148 1.00 0.00 C ATOM 1472 CD GLN A 78 -2.414 -0.390 16.032 1.00 0.00 C ATOM 1473 OE1 GLN A 78 -1.509 -1.169 15.765 1.00 0.00 O ATOM 1474 NE2 GLN A 78 -2.336 0.328 17.132 1.00 0.00 N ATOM 0 H GLN A 78 -6.132 -1.792 14.946 1.00 0.00 H new ATOM 0 HA GLN A 78 -5.091 -0.060 12.936 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -3.893 -2.297 14.604 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -2.949 -1.371 13.454 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -3.580 0.741 14.635 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -4.532 -0.181 15.781 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -3.082 0.982 17.368 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -1.529 0.231 17.748 1.00 0.00 H new ATOM 1483 N HIS A 79 -5.951 -2.909 11.823 1.00 0.00 N ATOM 1484 CA HIS A 79 -6.223 -3.623 10.575 1.00 0.00 C ATOM 1485 C HIS A 79 -7.046 -2.792 9.564 1.00 0.00 C ATOM 1486 O HIS A 79 -7.344 -3.296 8.486 1.00 0.00 O ATOM 1487 CB HIS A 79 -6.897 -4.963 10.911 1.00 0.00 C ATOM 1488 CG HIS A 79 -8.351 -4.858 11.307 1.00 0.00 C ATOM 1489 ND1 HIS A 79 -9.417 -4.676 10.453 1.00 0.00 N ATOM 1490 CD2 HIS A 79 -8.866 -4.996 12.568 1.00 0.00 C ATOM 1491 CE1 HIS A 79 -10.544 -4.678 11.184 1.00 0.00 C ATOM 1492 NE2 HIS A 79 -10.259 -4.863 12.487 1.00 0.00 N ATOM 0 H HIS A 79 -6.511 -3.245 12.606 1.00 0.00 H new ATOM 0 HA HIS A 79 -5.275 -3.809 10.071 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -6.817 -5.621 10.046 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -6.347 -5.437 11.724 1.00 0.00 H new ATOM 0 HD1 HIS A 79 -9.360 -4.560 9.441 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -8.298 -5.176 13.469 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -11.539 -4.549 10.783 1.00 0.00 H new ATOM 1500 N ILE A 80 -7.434 -1.546 9.875 1.00 0.00 N ATOM 1501 CA ILE A 80 -8.103 -0.606 8.957 1.00 0.00 C ATOM 1502 C ILE A 80 -7.187 0.597 8.690 1.00 0.00 C ATOM 1503 O ILE A 80 -6.752 1.275 9.624 1.00 0.00 O ATOM 1504 CB ILE A 80 -9.488 -0.157 9.484 1.00 0.00 C ATOM 1505 CG1 ILE A 80 -10.342 -1.362 9.941 1.00 0.00 C ATOM 1506 CG2 ILE A 80 -10.223 0.658 8.401 1.00 0.00 C ATOM 1507 CD1 ILE A 80 -11.744 -1.006 10.451 1.00 0.00 C ATOM 0 H ILE A 80 -7.287 -1.150 10.803 1.00 0.00 H new ATOM 0 HA ILE A 80 -8.289 -1.125 8.017 1.00 0.00 H new ATOM 0 HB ILE A 80 -9.331 0.475 10.358 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -10.441 -2.056 9.106 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -9.807 -1.888 10.731 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -11.197 0.970 8.779 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -9.633 1.538 8.145 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -10.359 0.042 7.512 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -12.265 -1.916 10.748 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -11.661 -0.339 11.309 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -12.304 -0.509 9.659 1.00 0.00 H new ATOM 1519 N VAL A 81 -6.916 0.872 7.412 1.00 0.00 N ATOM 1520 CA VAL A 81 -6.133 2.024 6.936 1.00 0.00 C ATOM 1521 C VAL A 81 -7.035 3.173 6.489 1.00 0.00 C ATOM 1522 O VAL A 81 -7.950 2.959 5.696 1.00 0.00 O ATOM 1523 CB VAL A 81 -5.135 1.637 5.825 1.00 0.00 C ATOM 1524 CG1 VAL A 81 -4.133 2.769 5.571 1.00 0.00 C ATOM 1525 CG2 VAL A 81 -4.339 0.370 6.166 1.00 0.00 C ATOM 0 H VAL A 81 -7.246 0.280 6.650 1.00 0.00 H new ATOM 0 HA VAL A 81 -5.546 2.371 7.787 1.00 0.00 H new ATOM 0 HB VAL A 81 -5.737 1.450 4.936 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -3.440 2.472 4.784 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -4.669 3.667 5.263 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -3.576 2.974 6.485 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -3.652 0.142 5.351 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -3.773 0.532 7.084 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -5.026 -0.465 6.305 1.00 0.00 H new ATOM 1535 N TYR A 82 -6.768 4.386 6.976 1.00 0.00 N ATOM 1536 CA TYR A 82 -7.463 5.631 6.638 1.00 0.00 C ATOM 1537 C TYR A 82 -6.749 6.527 5.618 1.00 0.00 C ATOM 1538 O TYR A 82 -6.060 7.487 5.964 1.00 0.00 O ATOM 1539 CB TYR A 82 -7.996 6.341 7.892 1.00 0.00 C ATOM 1540 CG TYR A 82 -9.238 5.682 8.462 1.00 0.00 C ATOM 1541 CD1 TYR A 82 -9.114 4.541 9.279 1.00 0.00 C ATOM 1542 CD2 TYR A 82 -10.516 6.183 8.143 1.00 0.00 C ATOM 1543 CE1 TYR A 82 -10.266 3.898 9.769 1.00 0.00 C ATOM 1544 CE2 TYR A 82 -11.671 5.542 8.636 1.00 0.00 C ATOM 1545 CZ TYR A 82 -11.547 4.394 9.449 1.00 0.00 C ATOM 1546 OH TYR A 82 -12.655 3.761 9.926 1.00 0.00 O ATOM 0 H TYR A 82 -6.020 4.535 7.654 1.00 0.00 H new ATOM 0 HA TYR A 82 -8.346 5.338 6.069 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -7.217 6.355 8.654 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -8.222 7.379 7.647 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -8.135 4.160 9.529 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -10.611 7.060 7.520 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -10.169 3.021 10.392 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -12.650 5.929 8.392 1.00 0.00 H new ATOM 0 HH TYR A 82 -13.458 4.229 9.615 1.00 0.00 H new ATOM 1556 N CYS A 83 -6.881 6.162 4.344 1.00 0.00 N ATOM 1557 CA CYS A 83 -6.183 6.747 3.196 1.00 0.00 C ATOM 1558 C CYS A 83 -6.640 8.185 2.853 1.00 0.00 C ATOM 1559 O CYS A 83 -5.985 8.860 2.058 1.00 0.00 O ATOM 1560 CB CYS A 83 -6.452 5.829 1.990 1.00 0.00 C ATOM 1561 SG CYS A 83 -6.365 4.064 2.416 1.00 0.00 S ATOM 0 H CYS A 83 -7.512 5.409 4.068 1.00 0.00 H new ATOM 0 HA CYS A 83 -5.124 6.821 3.444 1.00 0.00 H new ATOM 0 HB2 CYS A 83 -7.438 6.052 1.582 1.00 0.00 H new ATOM 0 HB3 CYS A 83 -5.727 6.045 1.206 1.00 0.00 H new ATOM 0 HG CYS A 83 -6.603 3.350 1.356 1.00 0.00 H new ATOM 1567 N SER A 84 -7.769 8.643 3.406 1.00 0.00 N ATOM 1568 CA SER A 84 -8.413 9.926 3.084 1.00 0.00 C ATOM 1569 C SER A 84 -7.462 11.132 3.170 1.00 0.00 C ATOM 1570 O SER A 84 -6.665 11.252 4.105 1.00 0.00 O ATOM 1571 CB SER A 84 -9.613 10.148 4.011 1.00 0.00 C ATOM 1572 OG SER A 84 -10.329 11.307 3.619 1.00 0.00 O ATOM 0 H SER A 84 -8.278 8.114 4.114 1.00 0.00 H new ATOM 0 HA SER A 84 -8.735 9.859 2.045 1.00 0.00 H new ATOM 0 HB2 SER A 84 -10.270 9.279 3.981 1.00 0.00 H new ATOM 0 HB3 SER A 84 -9.271 10.254 5.041 1.00 0.00 H new ATOM 0 HG SER A 84 -11.094 11.437 4.218 1.00 0.00 H new ATOM 1578 N ASN A 85 -7.569 12.039 2.189 1.00 0.00 N ATOM 1579 CA ASN A 85 -6.775 13.270 2.043 1.00 0.00 C ATOM 1580 C ASN A 85 -5.239 13.074 1.938 1.00 0.00 C ATOM 1581 O ASN A 85 -4.480 14.028 2.124 1.00 0.00 O ATOM 1582 CB ASN A 85 -7.211 14.312 3.097 1.00 0.00 C ATOM 1583 CG ASN A 85 -8.675 14.715 2.986 1.00 0.00 C ATOM 1584 OD1 ASN A 85 -9.237 14.859 1.908 1.00 0.00 O ATOM 1585 ND2 ASN A 85 -9.329 14.973 4.097 1.00 0.00 N ATOM 0 H ASN A 85 -8.247 11.929 1.435 1.00 0.00 H new ATOM 0 HA ASN A 85 -7.008 13.669 1.055 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -7.029 13.908 4.093 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -6.589 15.201 2.995 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -10.297 15.291 4.057 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -8.868 14.856 4.999 1.00 0.00 H new ATOM 1592 N ASP A 86 -4.769 11.863 1.617 1.00 0.00 N ATOM 1593 CA ASP A 86 -3.351 11.533 1.402 1.00 0.00 C ATOM 1594 C ASP A 86 -3.084 10.987 -0.021 1.00 0.00 C ATOM 1595 O ASP A 86 -4.010 10.589 -0.734 1.00 0.00 O ATOM 1596 CB ASP A 86 -2.897 10.535 2.486 1.00 0.00 C ATOM 1597 CG ASP A 86 -1.402 10.225 2.377 1.00 0.00 C ATOM 1598 OD1 ASP A 86 -0.600 11.182 2.471 1.00 0.00 O ATOM 1599 OD2 ASP A 86 -1.029 9.062 2.102 1.00 0.00 O ATOM 0 H ASP A 86 -5.383 11.058 1.495 1.00 0.00 H new ATOM 0 HA ASP A 86 -2.765 12.448 1.485 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -3.113 10.945 3.472 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -3.468 9.611 2.393 1.00 0.00 H new ATOM 1604 N LEU A 87 -1.808 10.905 -0.419 1.00 0.00 N ATOM 1605 CA LEU A 87 -1.344 10.204 -1.623 1.00 0.00 C ATOM 1606 C LEU A 87 -1.884 8.758 -1.698 1.00 0.00 C ATOM 1607 O LEU A 87 -2.221 8.280 -2.783 1.00 0.00 O ATOM 1608 CB LEU A 87 0.195 10.256 -1.619 1.00 0.00 C ATOM 1609 CG LEU A 87 0.907 9.426 -2.704 1.00 0.00 C ATOM 1610 CD1 LEU A 87 0.534 9.857 -4.120 1.00 0.00 C ATOM 1611 CD2 LEU A 87 2.417 9.601 -2.554 1.00 0.00 C ATOM 0 H LEU A 87 -1.047 11.338 0.104 1.00 0.00 H new ATOM 0 HA LEU A 87 -1.730 10.694 -2.517 1.00 0.00 H new ATOM 0 HB2 LEU A 87 0.503 11.296 -1.726 1.00 0.00 H new ATOM 0 HB3 LEU A 87 0.547 9.919 -0.644 1.00 0.00 H new ATOM 0 HG LEU A 87 0.595 8.391 -2.566 1.00 0.00 H new ATOM 0 HD11 LEU A 87 1.066 9.237 -4.841 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -0.540 9.741 -4.265 1.00 0.00 H new ATOM 0 HD13 LEU A 87 0.809 10.901 -4.267 1.00 0.00 H new ATOM 0 HD21 LEU A 87 2.929 9.016 -3.319 1.00 0.00 H new ATOM 0 HD22 LEU A 87 2.674 10.654 -2.669 1.00 0.00 H new ATOM 0 HD23 LEU A 87 2.727 9.258 -1.567 1.00 0.00 H new ATOM 1623 N LEU A 88 -2.048 8.081 -0.555 1.00 0.00 N ATOM 1624 CA LEU A 88 -2.664 6.753 -0.494 1.00 0.00 C ATOM 1625 C LEU A 88 -4.142 6.737 -0.929 1.00 0.00 C ATOM 1626 O LEU A 88 -4.588 5.787 -1.573 1.00 0.00 O ATOM 1627 CB LEU A 88 -2.506 6.205 0.932 1.00 0.00 C ATOM 1628 CG LEU A 88 -2.881 4.720 1.042 1.00 0.00 C ATOM 1629 CD1 LEU A 88 -1.933 3.845 0.228 1.00 0.00 C ATOM 1630 CD2 LEU A 88 -2.803 4.261 2.491 1.00 0.00 C ATOM 0 H LEU A 88 -1.756 8.440 0.354 1.00 0.00 H new ATOM 0 HA LEU A 88 -2.147 6.114 -1.210 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -1.474 6.340 1.256 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -3.132 6.785 1.611 1.00 0.00 H new ATOM 0 HG LEU A 88 -3.896 4.618 0.658 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -2.226 2.800 0.328 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -1.979 4.136 -0.821 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -0.915 3.972 0.595 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -3.071 3.206 2.554 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -1.788 4.400 2.862 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -3.494 4.848 3.096 1.00 0.00 H new ATOM 1642 N GLY A 89 -4.905 7.783 -0.605 1.00 0.00 N ATOM 1643 CA GLY A 89 -6.294 7.952 -1.048 1.00 0.00 C ATOM 1644 C GLY A 89 -6.395 8.254 -2.544 1.00 0.00 C ATOM 1645 O GLY A 89 -7.278 7.726 -3.223 1.00 0.00 O ATOM 0 H GLY A 89 -4.572 8.549 -0.019 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -6.857 7.046 -0.824 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -6.757 8.762 -0.484 1.00 0.00 H new ATOM 1649 N ASP A 90 -5.442 9.019 -3.084 1.00 0.00 N ATOM 1650 CA ASP A 90 -5.284 9.225 -4.530 1.00 0.00 C ATOM 1651 C ASP A 90 -4.936 7.958 -5.331 1.00 0.00 C ATOM 1652 O ASP A 90 -5.332 7.820 -6.492 1.00 0.00 O ATOM 1653 CB ASP A 90 -4.306 10.376 -4.824 1.00 0.00 C ATOM 1654 CG ASP A 90 -4.863 11.791 -4.566 1.00 0.00 C ATOM 1655 OD1 ASP A 90 -6.088 11.972 -4.364 1.00 0.00 O ATOM 1656 OD2 ASP A 90 -4.057 12.753 -4.608 1.00 0.00 O ATOM 0 H ASP A 90 -4.750 9.519 -2.525 1.00 0.00 H new ATOM 0 HA ASP A 90 -6.274 9.508 -4.888 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -3.413 10.238 -4.215 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -3.994 10.310 -5.866 1.00 0.00 H new ATOM 1661 N LEU A 91 -4.239 7.011 -4.693 1.00 0.00 N ATOM 1662 CA LEU A 91 -3.978 5.667 -5.211 1.00 0.00 C ATOM 1663 C LEU A 91 -5.217 4.762 -5.126 1.00 0.00 C ATOM 1664 O LEU A 91 -5.742 4.340 -6.158 1.00 0.00 O ATOM 1665 CB LEU A 91 -2.799 5.047 -4.440 1.00 0.00 C ATOM 1666 CG LEU A 91 -1.428 5.554 -4.900 1.00 0.00 C ATOM 1667 CD1 LEU A 91 -0.379 5.148 -3.882 1.00 0.00 C ATOM 1668 CD2 LEU A 91 -1.046 4.966 -6.258 1.00 0.00 C ATOM 0 H LEU A 91 -3.829 7.166 -3.772 1.00 0.00 H new ATOM 0 HA LEU A 91 -3.724 5.752 -6.268 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -2.918 5.261 -3.378 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -2.832 3.963 -4.553 1.00 0.00 H new ATOM 0 HG LEU A 91 -1.480 6.639 -4.991 1.00 0.00 H new ATOM 0 HD11 LEU A 91 0.599 5.506 -4.204 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -0.624 5.584 -2.913 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -0.357 4.062 -3.796 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -0.069 5.345 -6.557 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -1.007 3.879 -6.186 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -1.789 5.254 -7.001 1.00 0.00 H new ATOM 1680 N PHE A 92 -5.683 4.445 -3.913 1.00 0.00 N ATOM 1681 CA PHE A 92 -6.774 3.486 -3.698 1.00 0.00 C ATOM 1682 C PHE A 92 -8.194 3.912 -4.110 1.00 0.00 C ATOM 1683 O PHE A 92 -9.066 3.065 -4.306 1.00 0.00 O ATOM 1684 CB PHE A 92 -6.701 2.841 -2.301 1.00 0.00 C ATOM 1685 CG PHE A 92 -5.618 1.790 -2.100 1.00 0.00 C ATOM 1686 CD1 PHE A 92 -5.545 0.668 -2.948 1.00 0.00 C ATOM 1687 CD2 PHE A 92 -4.723 1.890 -1.019 1.00 0.00 C ATOM 1688 CE1 PHE A 92 -4.572 -0.328 -2.741 1.00 0.00 C ATOM 1689 CE2 PHE A 92 -3.773 0.876 -0.787 1.00 0.00 C ATOM 1690 CZ PHE A 92 -3.693 -0.227 -1.652 1.00 0.00 C ATOM 0 H PHE A 92 -5.314 4.846 -3.051 1.00 0.00 H new ATOM 0 HA PHE A 92 -6.574 2.714 -4.442 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -6.551 3.632 -1.566 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -7.666 2.384 -2.084 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -6.243 0.571 -3.766 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -4.764 2.748 -0.364 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -4.502 -1.167 -3.418 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -3.105 0.947 0.058 1.00 0.00 H new ATOM 0 HZ PHE A 92 -2.956 -0.997 -1.479 1.00 0.00 H new ATOM 1700 N GLY A 93 -8.437 5.219 -4.262 1.00 0.00 N ATOM 1701 CA GLY A 93 -9.734 5.773 -4.676 1.00 0.00 C ATOM 1702 C GLY A 93 -10.834 5.693 -3.605 1.00 0.00 C ATOM 1703 O GLY A 93 -12.018 5.792 -3.936 1.00 0.00 O ATOM 0 H GLY A 93 -7.728 5.934 -4.099 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -9.595 6.817 -4.959 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -10.073 5.244 -5.567 1.00 0.00 H new ATOM 1707 N VAL A 94 -10.459 5.501 -2.334 1.00 0.00 N ATOM 1708 CA VAL A 94 -11.364 5.342 -1.179 1.00 0.00 C ATOM 1709 C VAL A 94 -10.812 6.113 0.032 1.00 0.00 C ATOM 1710 O VAL A 94 -9.595 6.292 0.148 1.00 0.00 O ATOM 1711 CB VAL A 94 -11.538 3.855 -0.782 1.00 0.00 C ATOM 1712 CG1 VAL A 94 -12.434 3.119 -1.779 1.00 0.00 C ATOM 1713 CG2 VAL A 94 -10.223 3.079 -0.631 1.00 0.00 C ATOM 0 H VAL A 94 -9.476 5.449 -2.067 1.00 0.00 H new ATOM 0 HA VAL A 94 -12.335 5.739 -1.474 1.00 0.00 H new ATOM 0 HB VAL A 94 -12.004 3.888 0.203 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -12.538 2.078 -1.475 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -13.417 3.590 -1.802 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -11.987 3.164 -2.772 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -10.439 2.048 -0.352 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -9.682 3.093 -1.577 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -9.613 3.544 0.143 1.00 0.00 H new ATOM 1723 N PRO A 95 -11.681 6.544 0.969 1.00 0.00 N ATOM 1724 CA PRO A 95 -11.262 7.170 2.225 1.00 0.00 C ATOM 1725 C PRO A 95 -10.594 6.181 3.197 1.00 0.00 C ATOM 1726 O PRO A 95 -9.793 6.597 4.037 1.00 0.00 O ATOM 1727 CB PRO A 95 -12.549 7.749 2.824 1.00 0.00 C ATOM 1728 CG PRO A 95 -13.638 6.812 2.298 1.00 0.00 C ATOM 1729 CD PRO A 95 -13.137 6.472 0.899 1.00 0.00 C ATOM 0 HA PRO A 95 -10.502 7.930 2.044 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -12.517 7.756 3.914 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -12.714 8.777 2.503 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -13.742 5.922 2.919 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -14.613 7.298 2.272 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -13.465 5.477 0.597 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -13.528 7.174 0.162 1.00 0.00 H new ATOM 1737 N SER A 96 -10.907 4.884 3.095 1.00 0.00 N ATOM 1738 CA SER A 96 -10.358 3.813 3.937 1.00 0.00 C ATOM 1739 C SER A 96 -10.579 2.413 3.340 1.00 0.00 C ATOM 1740 O SER A 96 -11.433 2.226 2.468 1.00 0.00 O ATOM 1741 CB SER A 96 -10.979 3.873 5.343 1.00 0.00 C ATOM 1742 OG SER A 96 -12.388 3.688 5.298 1.00 0.00 O ATOM 0 H SER A 96 -11.571 4.539 2.402 1.00 0.00 H new ATOM 0 HA SER A 96 -9.282 3.979 3.992 1.00 0.00 H new ATOM 0 HB2 SER A 96 -10.530 3.105 5.973 1.00 0.00 H new ATOM 0 HB3 SER A 96 -10.752 4.835 5.802 1.00 0.00 H new ATOM 0 HG SER A 96 -12.753 3.730 6.207 1.00 0.00 H new ATOM 1748 N PHE A 97 -9.829 1.418 3.828 1.00 0.00 N ATOM 1749 CA PHE A 97 -10.046 -0.010 3.537 1.00 0.00 C ATOM 1750 C PHE A 97 -9.523 -0.850 4.721 1.00 0.00 C ATOM 1751 O PHE A 97 -8.673 -0.401 5.496 1.00 0.00 O ATOM 1752 CB PHE A 97 -9.317 -0.405 2.236 1.00 0.00 C ATOM 1753 CG PHE A 97 -7.800 -0.439 2.322 1.00 0.00 C ATOM 1754 CD1 PHE A 97 -7.146 -1.599 2.781 1.00 0.00 C ATOM 1755 CD2 PHE A 97 -7.040 0.687 1.962 1.00 0.00 C ATOM 1756 CE1 PHE A 97 -5.747 -1.621 2.912 1.00 0.00 C ATOM 1757 CE2 PHE A 97 -5.638 0.660 2.082 1.00 0.00 C ATOM 1758 CZ PHE A 97 -4.992 -0.493 2.559 1.00 0.00 C ATOM 0 H PHE A 97 -9.037 1.583 4.449 1.00 0.00 H new ATOM 0 HA PHE A 97 -11.111 -0.198 3.402 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -9.668 -1.390 1.927 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -9.604 0.296 1.452 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -7.723 -2.476 3.034 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -7.533 1.574 1.593 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -5.253 -2.506 3.284 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -5.057 1.528 1.807 1.00 0.00 H new ATOM 0 HZ PHE A 97 -3.916 -0.511 2.654 1.00 0.00 H new ATOM 1768 N SER A 98 -10.009 -2.089 4.850 1.00 0.00 N ATOM 1769 CA SER A 98 -9.525 -3.061 5.843 1.00 0.00 C ATOM 1770 C SER A 98 -8.534 -4.061 5.236 1.00 0.00 C ATOM 1771 O SER A 98 -8.838 -4.738 4.252 1.00 0.00 O ATOM 1772 CB SER A 98 -10.697 -3.790 6.499 1.00 0.00 C ATOM 1773 OG SER A 98 -10.226 -4.650 7.524 1.00 0.00 O ATOM 0 H SER A 98 -10.759 -2.452 4.262 1.00 0.00 H new ATOM 0 HA SER A 98 -8.988 -2.501 6.609 1.00 0.00 H new ATOM 0 HB2 SER A 98 -11.398 -3.066 6.915 1.00 0.00 H new ATOM 0 HB3 SER A 98 -11.241 -4.367 5.751 1.00 0.00 H new ATOM 0 HG SER A 98 -10.985 -5.111 7.939 1.00 0.00 H new ATOM 1779 N VAL A 99 -7.367 -4.200 5.870 1.00 0.00 N ATOM 1780 CA VAL A 99 -6.315 -5.197 5.587 1.00 0.00 C ATOM 1781 C VAL A 99 -6.792 -6.653 5.738 1.00 0.00 C ATOM 1782 O VAL A 99 -6.188 -7.572 5.185 1.00 0.00 O ATOM 1783 CB VAL A 99 -5.040 -4.906 6.413 1.00 0.00 C ATOM 1784 CG1 VAL A 99 -3.794 -5.636 5.902 1.00 0.00 C ATOM 1785 CG2 VAL A 99 -4.650 -3.419 6.457 1.00 0.00 C ATOM 0 H VAL A 99 -7.109 -3.586 6.642 1.00 0.00 H new ATOM 0 HA VAL A 99 -6.062 -5.091 4.532 1.00 0.00 H new ATOM 0 HB VAL A 99 -5.326 -5.262 7.403 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -2.940 -5.383 6.531 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -3.963 -6.712 5.936 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -3.590 -5.333 4.875 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -3.747 -3.297 7.055 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -4.466 -3.061 5.444 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -5.461 -2.843 6.903 1.00 0.00 H new ATOM 1795 N LYS A 100 -7.931 -6.866 6.418 1.00 0.00 N ATOM 1796 CA LYS A 100 -8.648 -8.152 6.488 1.00 0.00 C ATOM 1797 C LYS A 100 -9.019 -8.699 5.100 1.00 0.00 C ATOM 1798 O LYS A 100 -8.994 -9.912 4.893 1.00 0.00 O ATOM 1799 CB LYS A 100 -9.910 -7.934 7.350 1.00 0.00 C ATOM 1800 CG LYS A 100 -10.797 -9.169 7.593 1.00 0.00 C ATOM 1801 CD LYS A 100 -10.171 -10.280 8.450 1.00 0.00 C ATOM 1802 CE LYS A 100 -9.822 -9.788 9.863 1.00 0.00 C ATOM 1803 NZ LYS A 100 -9.501 -10.917 10.776 1.00 0.00 N ATOM 0 H LYS A 100 -8.392 -6.128 6.950 1.00 0.00 H new ATOM 0 HA LYS A 100 -7.995 -8.902 6.935 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -9.598 -7.542 8.318 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -10.519 -7.165 6.875 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -11.720 -8.842 8.072 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -11.072 -9.592 6.627 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -10.864 -11.119 8.519 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -9.269 -10.650 7.962 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -8.971 -9.109 9.812 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -10.660 -9.220 10.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -8.745 -10.630 11.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -10.349 -11.176 11.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -9.184 -11.735 10.218 1.00 0.00 H new ATOM 1817 N GLU A 101 -9.369 -7.826 4.149 1.00 0.00 N ATOM 1818 CA GLU A 101 -9.832 -8.219 2.813 1.00 0.00 C ATOM 1819 C GLU A 101 -8.706 -8.367 1.785 1.00 0.00 C ATOM 1820 O GLU A 101 -8.217 -7.404 1.194 1.00 0.00 O ATOM 1821 CB GLU A 101 -10.918 -7.264 2.312 1.00 0.00 C ATOM 1822 CG GLU A 101 -12.206 -7.378 3.131 1.00 0.00 C ATOM 1823 CD GLU A 101 -12.939 -8.735 3.032 1.00 0.00 C ATOM 1824 OE1 GLU A 101 -12.637 -9.556 2.132 1.00 0.00 O ATOM 1825 OE2 GLU A 101 -13.853 -8.979 3.858 1.00 0.00 O ATOM 0 H GLU A 101 -9.339 -6.816 4.287 1.00 0.00 H new ATOM 0 HA GLU A 101 -10.259 -9.216 2.923 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -10.549 -6.239 2.358 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -11.134 -7.478 1.265 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -11.968 -7.189 4.178 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -12.890 -6.591 2.812 1.00 0.00 H new ATOM 1832 N HIS A 102 -8.347 -9.624 1.541 1.00 0.00 N ATOM 1833 CA HIS A 102 -7.273 -10.038 0.632 1.00 0.00 C ATOM 1834 C HIS A 102 -7.550 -9.658 -0.833 1.00 0.00 C ATOM 1835 O HIS A 102 -6.827 -8.848 -1.415 1.00 0.00 O ATOM 1836 CB HIS A 102 -7.038 -11.552 0.776 1.00 0.00 C ATOM 1837 CG HIS A 102 -6.148 -11.945 1.928 1.00 0.00 C ATOM 1838 ND1 HIS A 102 -4.814 -12.272 1.844 1.00 0.00 N ATOM 1839 CD2 HIS A 102 -6.513 -12.080 3.243 1.00 0.00 C ATOM 1840 CE1 HIS A 102 -4.386 -12.604 3.071 1.00 0.00 C ATOM 1841 NE2 HIS A 102 -5.386 -12.500 3.964 1.00 0.00 N ATOM 0 H HIS A 102 -8.812 -10.415 1.986 1.00 0.00 H new ATOM 0 HA HIS A 102 -6.370 -9.498 0.916 1.00 0.00 H new ATOM 0 HB2 HIS A 102 -8.002 -12.046 0.895 1.00 0.00 H new ATOM 0 HB3 HIS A 102 -6.599 -11.927 -0.149 1.00 0.00 H new ATOM 0 HD1 HIS A 102 -4.248 -12.263 0.995 1.00 0.00 H new ATOM 0 HD2 HIS A 102 -7.496 -11.895 3.651 1.00 0.00 H new ATOM 0 HE1 HIS A 102 -3.379 -12.912 3.309 1.00 0.00 H new ATOM 1849 N ARG A 103 -8.625 -10.207 -1.424 1.00 0.00 N ATOM 1850 CA ARG A 103 -8.972 -10.042 -2.852 1.00 0.00 C ATOM 1851 C ARG A 103 -9.162 -8.570 -3.240 1.00 0.00 C ATOM 1852 O ARG A 103 -8.673 -8.138 -4.285 1.00 0.00 O ATOM 1853 CB ARG A 103 -10.237 -10.868 -3.156 1.00 0.00 C ATOM 1854 CG ARG A 103 -10.568 -10.936 -4.659 1.00 0.00 C ATOM 1855 CD ARG A 103 -11.985 -11.459 -4.931 1.00 0.00 C ATOM 1856 NE ARG A 103 -12.176 -12.844 -4.456 1.00 0.00 N ATOM 1857 CZ ARG A 103 -12.927 -13.273 -3.459 1.00 0.00 C ATOM 1858 NH1 ARG A 103 -13.561 -12.471 -2.648 1.00 0.00 N ATOM 1859 NH2 ARG A 103 -13.046 -14.551 -3.264 1.00 0.00 N ATOM 0 H ARG A 103 -9.291 -10.789 -0.916 1.00 0.00 H new ATOM 0 HA ARG A 103 -8.141 -10.407 -3.455 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -10.104 -11.880 -2.773 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -11.083 -10.435 -2.623 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -10.462 -9.943 -5.095 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -9.845 -11.582 -5.157 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -12.710 -10.807 -4.443 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -12.186 -11.414 -6.001 1.00 0.00 H new ATOM 0 HE ARG A 103 -11.661 -13.563 -4.964 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -13.489 -11.461 -2.770 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -14.129 -12.854 -1.892 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -12.563 -15.208 -3.877 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -13.623 -14.898 -2.498 1.00 0.00 H new ATOM 1873 N LYS A 104 -9.827 -7.795 -2.375 1.00 0.00 N ATOM 1874 CA LYS A 104 -10.088 -6.359 -2.569 1.00 0.00 C ATOM 1875 C LYS A 104 -8.791 -5.551 -2.677 1.00 0.00 C ATOM 1876 O LYS A 104 -8.663 -4.725 -3.577 1.00 0.00 O ATOM 1877 CB LYS A 104 -10.998 -5.856 -1.433 1.00 0.00 C ATOM 1878 CG LYS A 104 -11.385 -4.378 -1.592 1.00 0.00 C ATOM 1879 CD LYS A 104 -12.463 -3.971 -0.576 1.00 0.00 C ATOM 1880 CE LYS A 104 -12.844 -2.499 -0.775 1.00 0.00 C ATOM 1881 NZ LYS A 104 -13.957 -2.094 0.126 1.00 0.00 N ATOM 0 H LYS A 104 -10.208 -8.155 -1.500 1.00 0.00 H new ATOM 0 HA LYS A 104 -10.603 -6.215 -3.519 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -11.903 -6.463 -1.403 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -10.490 -5.993 -0.478 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -10.502 -3.752 -1.459 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -11.751 -4.202 -2.604 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -13.344 -4.602 -0.696 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -12.095 -4.126 0.438 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -11.975 -1.869 -0.586 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -13.137 -2.335 -1.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -14.188 -1.093 -0.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -14.794 -2.679 -0.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -13.668 -2.227 1.116 1.00 0.00 H new ATOM 1895 N ILE A 105 -7.810 -5.825 -1.818 1.00 0.00 N ATOM 1896 CA ILE A 105 -6.487 -5.191 -1.903 1.00 0.00 C ATOM 1897 C ILE A 105 -5.725 -5.699 -3.134 1.00 0.00 C ATOM 1898 O ILE A 105 -5.232 -4.885 -3.911 1.00 0.00 O ATOM 1899 CB ILE A 105 -5.699 -5.355 -0.583 1.00 0.00 C ATOM 1900 CG1 ILE A 105 -6.430 -4.588 0.544 1.00 0.00 C ATOM 1901 CG2 ILE A 105 -4.260 -4.823 -0.728 1.00 0.00 C ATOM 1902 CD1 ILE A 105 -5.952 -4.949 1.954 1.00 0.00 C ATOM 0 H ILE A 105 -7.904 -6.487 -1.048 1.00 0.00 H new ATOM 0 HA ILE A 105 -6.618 -4.117 -2.038 1.00 0.00 H new ATOM 0 HB ILE A 105 -5.645 -6.416 -0.337 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -6.295 -3.518 0.388 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -7.499 -4.788 0.471 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -3.728 -4.951 0.215 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -3.745 -5.377 -1.513 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -4.288 -3.765 -0.989 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -6.512 -4.370 2.688 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -6.113 -6.012 2.132 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -4.890 -4.722 2.047 1.00 0.00 H new ATOM 1914 N TYR A 106 -5.686 -7.015 -3.380 1.00 0.00 N ATOM 1915 CA TYR A 106 -4.975 -7.589 -4.530 1.00 0.00 C ATOM 1916 C TYR A 106 -5.410 -7.034 -5.896 1.00 0.00 C ATOM 1917 O TYR A 106 -4.565 -6.647 -6.706 1.00 0.00 O ATOM 1918 CB TYR A 106 -5.056 -9.124 -4.531 1.00 0.00 C ATOM 1919 CG TYR A 106 -4.399 -9.873 -3.379 1.00 0.00 C ATOM 1920 CD1 TYR A 106 -3.193 -9.436 -2.789 1.00 0.00 C ATOM 1921 CD2 TYR A 106 -5.006 -11.060 -2.920 1.00 0.00 C ATOM 1922 CE1 TYR A 106 -2.619 -10.160 -1.724 1.00 0.00 C ATOM 1923 CE2 TYR A 106 -4.428 -11.789 -1.866 1.00 0.00 C ATOM 1924 CZ TYR A 106 -3.245 -11.335 -1.258 1.00 0.00 C ATOM 1925 OH TYR A 106 -2.718 -12.061 -0.239 1.00 0.00 O ATOM 0 H TYR A 106 -6.144 -7.709 -2.790 1.00 0.00 H new ATOM 0 HA TYR A 106 -3.939 -7.277 -4.396 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -6.109 -9.403 -4.554 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -4.611 -9.482 -5.460 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -2.708 -8.543 -3.155 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -5.918 -11.410 -3.380 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -1.703 -9.816 -1.267 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -4.894 -12.701 -1.523 1.00 0.00 H new ATOM 0 HH TYR A 106 -1.805 -11.755 -0.057 1.00 0.00 H new ATOM 1935 N THR A 107 -6.721 -6.930 -6.140 1.00 0.00 N ATOM 1936 CA THR A 107 -7.266 -6.332 -7.371 1.00 0.00 C ATOM 1937 C THR A 107 -6.971 -4.837 -7.553 1.00 0.00 C ATOM 1938 O THR A 107 -6.638 -4.390 -8.655 1.00 0.00 O ATOM 1939 CB THR A 107 -8.745 -6.705 -7.577 1.00 0.00 C ATOM 1940 OG1 THR A 107 -9.069 -6.623 -8.949 1.00 0.00 O ATOM 1941 CG2 THR A 107 -9.726 -5.801 -6.828 1.00 0.00 C ATOM 0 H THR A 107 -7.437 -7.257 -5.491 1.00 0.00 H new ATOM 0 HA THR A 107 -6.707 -6.789 -8.188 1.00 0.00 H new ATOM 0 HB THR A 107 -8.847 -7.716 -7.182 1.00 0.00 H new ATOM 0 HG1 THR A 107 -10.011 -6.862 -9.078 1.00 0.00 H new ATOM 0 HG21 THR A 107 -10.746 -6.130 -7.025 1.00 0.00 H new ATOM 0 HG22 THR A 107 -9.527 -5.856 -5.758 1.00 0.00 H new ATOM 0 HG23 THR A 107 -9.604 -4.772 -7.167 1.00 0.00 H new ATOM 1949 N MET A 108 -6.988 -4.061 -6.462 1.00 0.00 N ATOM 1950 CA MET A 108 -6.569 -2.655 -6.489 1.00 0.00 C ATOM 1951 C MET A 108 -5.057 -2.490 -6.707 1.00 0.00 C ATOM 1952 O MET A 108 -4.650 -1.606 -7.458 1.00 0.00 O ATOM 1953 CB MET A 108 -7.003 -1.919 -5.217 1.00 0.00 C ATOM 1954 CG MET A 108 -8.523 -1.736 -5.124 1.00 0.00 C ATOM 1955 SD MET A 108 -9.088 -0.562 -3.854 1.00 0.00 S ATOM 1956 CE MET A 108 -8.493 -1.342 -2.326 1.00 0.00 C ATOM 0 H MET A 108 -7.290 -4.387 -5.544 1.00 0.00 H new ATOM 0 HA MET A 108 -7.072 -2.206 -7.345 1.00 0.00 H new ATOM 0 HB2 MET A 108 -6.655 -2.473 -4.346 1.00 0.00 H new ATOM 0 HB3 MET A 108 -6.522 -0.942 -5.186 1.00 0.00 H new ATOM 0 HG2 MET A 108 -8.892 -1.402 -6.094 1.00 0.00 H new ATOM 0 HG3 MET A 108 -8.978 -2.707 -4.926 1.00 0.00 H new ATOM 0 HE1 MET A 108 -8.787 -0.736 -1.469 1.00 0.00 H new ATOM 0 HE2 MET A 108 -8.928 -2.337 -2.232 1.00 0.00 H new ATOM 0 HE3 MET A 108 -7.406 -1.422 -2.358 1.00 0.00 H new ATOM 1966 N MET A 109 -4.222 -3.359 -6.126 1.00 0.00 N ATOM 1967 CA MET A 109 -2.771 -3.360 -6.363 1.00 0.00 C ATOM 1968 C MET A 109 -2.433 -3.728 -7.813 1.00 0.00 C ATOM 1969 O MET A 109 -1.588 -3.083 -8.432 1.00 0.00 O ATOM 1970 CB MET A 109 -2.059 -4.322 -5.395 1.00 0.00 C ATOM 1971 CG MET A 109 -2.069 -3.846 -3.937 1.00 0.00 C ATOM 1972 SD MET A 109 -1.245 -2.267 -3.605 1.00 0.00 S ATOM 1973 CE MET A 109 0.487 -2.685 -3.942 1.00 0.00 C ATOM 0 H MET A 109 -4.532 -4.083 -5.477 1.00 0.00 H new ATOM 0 HA MET A 109 -2.414 -2.346 -6.181 1.00 0.00 H new ATOM 0 HB2 MET A 109 -2.536 -5.300 -5.452 1.00 0.00 H new ATOM 0 HB3 MET A 109 -1.026 -4.451 -5.719 1.00 0.00 H new ATOM 0 HG2 MET A 109 -3.106 -3.767 -3.610 1.00 0.00 H new ATOM 0 HG3 MET A 109 -1.598 -4.614 -3.323 1.00 0.00 H new ATOM 0 HE1 MET A 109 1.094 -2.457 -3.066 1.00 0.00 H new ATOM 0 HE2 MET A 109 0.567 -3.748 -4.172 1.00 0.00 H new ATOM 0 HE3 MET A 109 0.843 -2.102 -4.792 1.00 0.00 H new ATOM 1983 N ALA A 110 -3.137 -4.703 -8.399 1.00 0.00 N ATOM 1984 CA ALA A 110 -3.007 -5.054 -9.816 1.00 0.00 C ATOM 1985 C ALA A 110 -3.402 -3.886 -10.748 1.00 0.00 C ATOM 1986 O ALA A 110 -2.758 -3.654 -11.773 1.00 0.00 O ATOM 1987 CB ALA A 110 -3.862 -6.299 -10.068 1.00 0.00 C ATOM 0 H ALA A 110 -3.818 -5.274 -7.899 1.00 0.00 H new ATOM 0 HA ALA A 110 -1.963 -5.265 -10.047 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -3.786 -6.586 -11.117 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -3.507 -7.117 -9.441 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -4.902 -6.081 -9.826 1.00 0.00 H new ATOM 1993 N SER A 111 -4.400 -3.085 -10.351 1.00 0.00 N ATOM 1994 CA SER A 111 -4.806 -1.850 -11.046 1.00 0.00 C ATOM 1995 C SER A 111 -3.768 -0.711 -10.973 1.00 0.00 C ATOM 1996 O SER A 111 -3.935 0.318 -11.631 1.00 0.00 O ATOM 1997 CB SER A 111 -6.163 -1.360 -10.519 1.00 0.00 C ATOM 1998 OG SER A 111 -7.182 -2.320 -10.763 1.00 0.00 O ATOM 0 H SER A 111 -4.961 -3.279 -9.521 1.00 0.00 H new ATOM 0 HA SER A 111 -4.885 -2.118 -12.099 1.00 0.00 H new ATOM 0 HB2 SER A 111 -6.092 -1.164 -9.449 1.00 0.00 H new ATOM 0 HB3 SER A 111 -6.424 -0.417 -10.999 1.00 0.00 H new ATOM 0 HG SER A 111 -7.108 -3.048 -10.111 1.00 0.00 H new ATOM 2004 N MET A 112 -2.683 -0.876 -10.205 1.00 0.00 N ATOM 2005 CA MET A 112 -1.537 0.049 -10.141 1.00 0.00 C ATOM 2006 C MET A 112 -0.328 -0.410 -10.969 1.00 0.00 C ATOM 2007 O MET A 112 0.703 0.259 -10.973 1.00 0.00 O ATOM 2008 CB MET A 112 -1.138 0.319 -8.686 1.00 0.00 C ATOM 2009 CG MET A 112 -2.303 0.936 -7.918 1.00 0.00 C ATOM 2010 SD MET A 112 -2.045 1.157 -6.146 1.00 0.00 S ATOM 2011 CE MET A 112 -3.764 1.554 -5.771 1.00 0.00 C ATOM 0 H MET A 112 -2.572 -1.682 -9.590 1.00 0.00 H new ATOM 0 HA MET A 112 -1.873 0.981 -10.596 1.00 0.00 H new ATOM 0 HB2 MET A 112 -0.832 -0.612 -8.208 1.00 0.00 H new ATOM 0 HB3 MET A 112 -0.279 0.990 -8.657 1.00 0.00 H new ATOM 0 HG2 MET A 112 -2.529 1.908 -8.357 1.00 0.00 H new ATOM 0 HG3 MET A 112 -3.182 0.308 -8.063 1.00 0.00 H new ATOM 0 HE1 MET A 112 -3.832 1.961 -4.762 1.00 0.00 H new ATOM 0 HE2 MET A 112 -4.131 2.291 -6.485 1.00 0.00 H new ATOM 0 HE3 MET A 112 -4.369 0.650 -5.839 1.00 0.00 H new ATOM 2021 N THR A 113 -0.447 -1.524 -11.695 1.00 0.00 N ATOM 2022 CA THR A 113 0.592 -2.102 -12.572 1.00 0.00 C ATOM 2023 C THR A 113 0.169 -2.308 -14.033 1.00 0.00 C ATOM 2024 O THR A 113 0.824 -3.014 -14.802 1.00 0.00 O ATOM 2025 CB THR A 113 1.349 -3.282 -11.919 1.00 0.00 C ATOM 2026 OG1 THR A 113 0.697 -4.511 -12.166 1.00 0.00 O ATOM 2027 CG2 THR A 113 1.509 -3.158 -10.398 1.00 0.00 C ATOM 0 H THR A 113 -1.304 -2.077 -11.693 1.00 0.00 H new ATOM 0 HA THR A 113 1.347 -1.322 -12.671 1.00 0.00 H new ATOM 0 HB THR A 113 2.337 -3.252 -12.379 1.00 0.00 H new ATOM 0 HG1 THR A 113 1.199 -5.238 -11.743 1.00 0.00 H new ATOM 0 HG21 THR A 113 2.050 -4.024 -10.017 1.00 0.00 H new ATOM 0 HG22 THR A 113 2.066 -2.251 -10.163 1.00 0.00 H new ATOM 0 HG23 THR A 113 0.525 -3.111 -9.931 1.00 0.00 H new ATOM 2035 N GLY A 114 -0.934 -1.660 -14.426 1.00 0.00 N ATOM 2036 CA GLY A 114 -1.503 -1.651 -15.776 1.00 0.00 C ATOM 2037 C GLY A 114 -2.771 -0.789 -15.866 1.00 0.00 C ATOM 2038 O GLY A 114 -3.153 -0.125 -14.898 1.00 0.00 O ATOM 0 H GLY A 114 -1.482 -1.098 -13.775 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -0.760 -1.275 -16.479 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -1.738 -2.672 -16.076 1.00 0.00 H new ATOM 2042 N GLY A 115 -3.433 -0.815 -17.026 1.00 0.00 N ATOM 2043 CA GLY A 115 -4.686 -0.092 -17.286 1.00 0.00 C ATOM 2044 C GLY A 115 -4.537 1.425 -17.493 1.00 0.00 C ATOM 2045 O GLY A 115 -3.440 1.987 -17.432 1.00 0.00 O ATOM 0 H GLY A 115 -3.107 -1.351 -17.830 1.00 0.00 H new ATOM 0 HA2 GLY A 115 -5.156 -0.519 -18.172 1.00 0.00 H new ATOM 0 HA3 GLY A 115 -5.365 -0.263 -16.451 1.00 0.00 H new ATOM 2049 N GLN A 116 -5.664 2.087 -17.768 1.00 0.00 N ATOM 2050 CA GLN A 116 -5.752 3.537 -17.995 1.00 0.00 C ATOM 2051 C GLN A 116 -5.646 4.363 -16.695 1.00 0.00 C ATOM 2052 O GLN A 116 -5.859 3.856 -15.589 1.00 0.00 O ATOM 2053 CB GLN A 116 -7.053 3.869 -18.753 1.00 0.00 C ATOM 2054 CG GLN A 116 -7.084 3.262 -20.168 1.00 0.00 C ATOM 2055 CD GLN A 116 -8.329 3.642 -20.977 1.00 0.00 C ATOM 2056 OE1 GLN A 116 -9.252 4.306 -20.520 1.00 0.00 O ATOM 2057 NE2 GLN A 116 -8.406 3.231 -22.227 1.00 0.00 N ATOM 0 H GLN A 116 -6.567 1.619 -17.842 1.00 0.00 H new ATOM 0 HA GLN A 116 -4.892 3.821 -18.602 1.00 0.00 H new ATOM 0 HB2 GLN A 116 -7.906 3.499 -18.184 1.00 0.00 H new ATOM 0 HB3 GLN A 116 -7.162 4.951 -18.823 1.00 0.00 H new ATOM 0 HG2 GLN A 116 -6.196 3.586 -20.712 1.00 0.00 H new ATOM 0 HG3 GLN A 116 -7.031 2.176 -20.089 1.00 0.00 H new ATOM 0 HE21 GLN A 116 -7.650 2.677 -22.629 1.00 0.00 H new ATOM 0 HE22 GLN A 116 -9.222 3.467 -22.792 1.00 0.00 H new ATOM 2066 N GLN A 117 -5.339 5.657 -16.837 1.00 0.00 N ATOM 2067 CA GLN A 117 -5.310 6.658 -15.758 1.00 0.00 C ATOM 2068 C GLN A 117 -5.569 8.076 -16.309 1.00 0.00 C ATOM 2069 O GLN A 117 -5.445 8.319 -17.513 1.00 0.00 O ATOM 2070 CB GLN A 117 -3.975 6.575 -14.989 1.00 0.00 C ATOM 2071 CG GLN A 117 -2.729 6.892 -15.837 1.00 0.00 C ATOM 2072 CD GLN A 117 -1.421 6.824 -15.046 1.00 0.00 C ATOM 2073 OE1 GLN A 117 -1.346 6.375 -13.909 1.00 0.00 O ATOM 2074 NE2 GLN A 117 -0.322 7.264 -15.625 1.00 0.00 N ATOM 0 H GLN A 117 -5.093 6.055 -17.744 1.00 0.00 H new ATOM 0 HA GLN A 117 -6.114 6.438 -15.056 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -4.012 7.266 -14.147 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -3.871 5.573 -14.574 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -2.678 6.191 -16.670 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -2.834 7.889 -16.265 1.00 0.00 H new ATOM 0 HE21 GLN A 117 -0.361 7.642 -16.572 1.00 0.00 H new ATOM 0 HE22 GLN A 117 0.567 7.226 -15.127 1.00 0.00 H new ATOM 2083 N MET A 118 -5.926 9.019 -15.430 1.00 0.00 N ATOM 2084 CA MET A 118 -6.135 10.434 -15.783 1.00 0.00 C ATOM 2085 C MET A 118 -4.830 11.149 -16.187 1.00 0.00 C ATOM 2086 O MET A 118 -3.740 10.791 -15.728 1.00 0.00 O ATOM 2087 CB MET A 118 -6.821 11.180 -14.626 1.00 0.00 C ATOM 2088 CG MET A 118 -8.236 10.652 -14.351 1.00 0.00 C ATOM 2089 SD MET A 118 -9.180 11.587 -13.112 1.00 0.00 S ATOM 2090 CE MET A 118 -8.250 11.192 -11.604 1.00 0.00 C ATOM 0 H MET A 118 -6.081 8.822 -14.441 1.00 0.00 H new ATOM 0 HA MET A 118 -6.785 10.448 -16.658 1.00 0.00 H new ATOM 0 HB2 MET A 118 -6.217 11.081 -13.724 1.00 0.00 H new ATOM 0 HB3 MET A 118 -6.871 12.243 -14.861 1.00 0.00 H new ATOM 0 HG2 MET A 118 -8.795 10.652 -15.287 1.00 0.00 H new ATOM 0 HG3 MET A 118 -8.163 9.615 -14.023 1.00 0.00 H new ATOM 0 HE1 MET A 118 -8.749 11.636 -10.742 1.00 0.00 H new ATOM 0 HE2 MET A 118 -8.203 10.110 -11.479 1.00 0.00 H new ATOM 0 HE3 MET A 118 -7.239 11.593 -11.684 1.00 0.00 H new ATOM 2100 N GLY A 119 -4.947 12.185 -17.029 1.00 0.00 N ATOM 2101 CA GLY A 119 -3.830 13.000 -17.538 1.00 0.00 C ATOM 2102 C GLY A 119 -4.295 14.211 -18.348 1.00 0.00 C ATOM 2103 O GLY A 119 -5.037 14.016 -19.337 1.00 0.00 O ATOM 2104 OXT GLY A 119 -3.916 15.347 -17.988 1.00 0.00 O ATOM 0 H GLY A 119 -5.851 12.491 -17.388 1.00 0.00 H new ATOM 0 HA2 GLY A 119 -3.225 13.342 -16.698 1.00 0.00 H new ATOM 0 HA3 GLY A 119 -3.188 12.378 -18.161 1.00 0.00 H new TER 2108 GLY A 119