USER MOD reduce.3.24.130724 H: found=0, std=0, add=1070, rem=0, adj=47 USER MOD reduce.3.24.130724 removed 1069 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 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 49 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 45 TYR OH : rot 30:sc= -2.15 USER MOD Set 2.2: A 61 GLN : amide:sc= -0.799 K(o=-1.8,f=-6.4) USER MOD Set 2.3: A 63 TYR OH : rot 115:sc= 1.17 USER MOD Set 3.1: A 25 ASN : amide:sc= -2.64 K(o=-2.4,f=-7.4!) USER MOD Set 3.2: A 27 LYS NZ :NH3+ 171:sc= 0.23 (180deg=-0.0422) USER MOD Set 4.1: A 1 ALA N :NH3+ -149:sc= -0.449 (180deg=-1.77!) USER MOD Set 4.2: A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 2 THR OG1 : rot 5:sc= 0.289! USER MOD Single : A 4 THR OG1 : rot -170:sc= -0.196 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= -0.646 K(o=-0.65,f=-0.12) USER MOD Single : A 12 SER OG : rot -170:sc= -0.657 USER MOD Single : A 15 GLN : amide:sc= -0.688 K(o=-0.69,f=-1.6!) USER MOD Single : A 17 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= -3.87 K(o=-3.9,f=-5.9!) USER MOD Single : A 20 LYS NZ :NH3+ -153:sc= -0.782 (180deg=-1.49!) USER MOD Single : A 21 MET CE :methyl -158:sc= -0.2 (180deg=-1.28) USER MOD Single : A 28 TYR OH : rot 15:sc= -2.09! USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= 0 X(o=0,f=-0.009) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot -150:sc= -0.081 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot -160:sc= -0.687 USER MOD Single : A 51 THR OG1 : rot -80:sc= 0.00957 USER MOD Single : A 53 SER OG : rot -71:sc= 1.19 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot 180:sc= -1.3 USER MOD Single : A 58 ASN : amide:sc= -3.13 K(o=-3.1,f=-5.8!) USER MOD Single : A 59 LYS NZ :NH3+ -124:sc= 0.948 (180deg=-0.733) USER MOD Single : A 60 ASN : amide:sc= -0.902 K(o=-0.9,f=-2.2!) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.18 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 ASN : amide:sc= -0.267 X(o=-0.27,f=-0.0087) USER MOD Single : A 78 SER OG : rot 60:sc= 1.26 USER MOD Single : A 80 TYR OH : rot 180:sc= -0.424 USER MOD Single : A 87 TYR OH : rot -70:sc= 0.244 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 GLN : amide:sc= 0 K(o=0,f=-1.1!) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot 180:sc= -0.73 USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 TYR OH : rot 141:sc= 1.23 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 HIS : no HD1:sc= -1.58 K(o=-1.6,f=0.067) USER MOD Single : A 102 THR OG1 : rot 180:sc=-0.00618 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD Single : A 114 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 116 ASN : amide:sc= -0.726 X(o=-0.73,f=-1.1) USER MOD Single : A 118 MET CE :methyl -147:sc= -0.277 (180deg=-1.32) USER MOD Single : A 120 ASN : amide:sc= -0.879 K(o=-0.88,f=-5.6!) USER MOD Single : A 126 SER OG : rot 180:sc= -0.737 USER MOD Single : A 127 TYR OH : rot 180:sc= 0 USER MOD Single : A 129 GLN : amide:sc= -1.84 K(o=-1.8,f=-0.49) USER MOD Single : A 130 SER OG : rot 180:sc= 0 USER MOD Single : A 134 SER OG : rot -20:sc= 0.341 USER MOD Single : A 139 THR OG1 : rot 180:sc= 0 USER MOD Single : A 146 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 119.665 -18.805 12.742 1.00 0.00 N ATOM 2 CA ALA A 1 118.513 -19.394 13.481 1.00 0.00 C ATOM 3 C ALA A 1 117.649 -18.271 14.046 1.00 0.00 C ATOM 4 O ALA A 1 118.164 -17.266 14.535 1.00 0.00 O ATOM 5 CB ALA A 1 119.035 -20.274 14.619 1.00 0.00 C ATOM 0 H1 ALA A 1 119.936 -19.437 11.962 1.00 0.00 H new ATOM 0 H2 ALA A 1 119.393 -17.877 12.358 1.00 0.00 H new ATOM 0 H3 ALA A 1 120.470 -18.689 13.390 1.00 0.00 H new ATOM 0 HA ALA A 1 117.913 -20.003 12.805 1.00 0.00 H new ATOM 0 HB1 ALA A 1 118.193 -20.706 15.161 1.00 0.00 H new ATOM 0 HB2 ALA A 1 119.650 -21.074 14.207 1.00 0.00 H new ATOM 0 HB3 ALA A 1 119.634 -19.670 15.301 1.00 0.00 H new ATOM 13 N THR A 2 116.330 -18.445 13.959 1.00 0.00 N ATOM 14 CA THR A 2 115.380 -17.458 14.473 1.00 0.00 C ATOM 15 C THR A 2 115.718 -16.040 14.005 1.00 0.00 C ATOM 16 O THR A 2 115.490 -15.069 14.729 1.00 0.00 O ATOM 17 CB THR A 2 115.354 -17.505 16.003 1.00 0.00 C ATOM 18 OG1 THR A 2 116.635 -17.165 16.513 1.00 0.00 O ATOM 19 CG2 THR A 2 114.976 -18.912 16.469 1.00 0.00 C ATOM 0 H THR A 2 115.894 -19.264 13.535 1.00 0.00 H new ATOM 0 HA THR A 2 114.396 -17.713 14.078 1.00 0.00 H new ATOM 0 HB THR A 2 114.617 -16.792 16.371 1.00 0.00 H new ATOM 0 HG1 THR A 2 117.223 -16.905 15.773 1.00 0.00 H new ATOM 0 HG21 THR A 2 114.958 -18.942 17.558 1.00 0.00 H new ATOM 0 HG22 THR A 2 113.990 -19.171 16.083 1.00 0.00 H new ATOM 0 HG23 THR A 2 115.710 -19.628 16.098 1.00 0.00 H new ATOM 27 N SER A 3 116.254 -15.925 12.792 1.00 0.00 N ATOM 28 CA SER A 3 116.586 -14.617 12.241 1.00 0.00 C ATOM 29 C SER A 3 116.320 -14.590 10.742 1.00 0.00 C ATOM 30 O SER A 3 116.458 -15.603 10.058 1.00 0.00 O ATOM 31 CB SER A 3 118.058 -14.297 12.506 1.00 0.00 C ATOM 32 OG SER A 3 118.872 -15.169 11.733 1.00 0.00 O ATOM 0 H SER A 3 116.465 -16.713 12.179 1.00 0.00 H new ATOM 0 HA SER A 3 115.960 -13.868 12.725 1.00 0.00 H new ATOM 0 HB2 SER A 3 118.269 -13.259 12.248 1.00 0.00 H new ATOM 0 HB3 SER A 3 118.283 -14.414 13.566 1.00 0.00 H new ATOM 0 HG SER A 3 119.817 -14.967 11.898 1.00 0.00 H new ATOM 38 N THR A 4 115.941 -13.422 10.231 1.00 0.00 N ATOM 39 CA THR A 4 115.675 -13.269 8.805 1.00 0.00 C ATOM 40 C THR A 4 116.366 -12.021 8.268 1.00 0.00 C ATOM 41 O THR A 4 116.421 -10.992 8.942 1.00 0.00 O ATOM 42 CB THR A 4 114.170 -13.157 8.558 1.00 0.00 C ATOM 43 OG1 THR A 4 113.502 -14.212 9.232 1.00 0.00 O ATOM 44 CG2 THR A 4 113.890 -13.252 7.057 1.00 0.00 C ATOM 0 H THR A 4 115.812 -12.572 10.780 1.00 0.00 H new ATOM 0 HA THR A 4 116.063 -14.146 8.288 1.00 0.00 H new ATOM 0 HB THR A 4 113.810 -12.199 8.934 1.00 0.00 H new ATOM 0 HG1 THR A 4 112.564 -14.238 8.950 1.00 0.00 H new ATOM 0 HG21 THR A 4 112.817 -13.172 6.881 1.00 0.00 H new ATOM 0 HG22 THR A 4 114.404 -12.442 6.539 1.00 0.00 H new ATOM 0 HG23 THR A 4 114.249 -14.209 6.680 1.00 0.00 H new ATOM 52 N VAL A 5 116.890 -12.118 7.050 1.00 0.00 N ATOM 53 CA VAL A 5 117.514 -10.967 6.401 1.00 0.00 C ATOM 54 C VAL A 5 116.799 -10.682 5.085 1.00 0.00 C ATOM 55 O VAL A 5 116.832 -11.497 4.163 1.00 0.00 O ATOM 56 CB VAL A 5 118.998 -11.251 6.133 1.00 0.00 C ATOM 57 CG1 VAL A 5 119.662 -10.007 5.536 1.00 0.00 C ATOM 58 CG2 VAL A 5 119.703 -11.608 7.445 1.00 0.00 C ATOM 0 H VAL A 5 116.896 -12.974 6.495 1.00 0.00 H new ATOM 0 HA VAL A 5 117.436 -10.100 7.056 1.00 0.00 H new ATOM 0 HB VAL A 5 119.078 -12.084 5.434 1.00 0.00 H new ATOM 0 HG11 VAL A 5 120.716 -10.212 5.347 1.00 0.00 H new ATOM 0 HG12 VAL A 5 119.169 -9.746 4.599 1.00 0.00 H new ATOM 0 HG13 VAL A 5 119.574 -9.176 6.236 1.00 0.00 H new ATOM 0 HG21 VAL A 5 120.756 -11.809 7.249 1.00 0.00 H new ATOM 0 HG22 VAL A 5 119.616 -10.775 8.143 1.00 0.00 H new ATOM 0 HG23 VAL A 5 119.239 -12.494 7.878 1.00 0.00 H new ATOM 68 N THR A 6 116.154 -9.523 5.001 1.00 0.00 N ATOM 69 CA THR A 6 115.418 -9.153 3.795 1.00 0.00 C ATOM 70 C THR A 6 115.840 -7.771 3.314 1.00 0.00 C ATOM 71 O THR A 6 116.032 -6.856 4.114 1.00 0.00 O ATOM 72 CB THR A 6 113.913 -9.150 4.080 1.00 0.00 C ATOM 73 OG1 THR A 6 113.564 -10.305 4.832 1.00 0.00 O ATOM 74 CG2 THR A 6 113.144 -9.150 2.760 1.00 0.00 C ATOM 0 H THR A 6 116.125 -8.828 5.747 1.00 0.00 H new ATOM 0 HA THR A 6 115.643 -9.885 3.019 1.00 0.00 H new ATOM 0 HB THR A 6 113.657 -8.258 4.651 1.00 0.00 H new ATOM 0 HG1 THR A 6 112.601 -10.298 5.014 1.00 0.00 H new ATOM 0 HG21 THR A 6 112.073 -9.148 2.963 1.00 0.00 H new ATOM 0 HG22 THR A 6 113.406 -8.261 2.186 1.00 0.00 H new ATOM 0 HG23 THR A 6 113.403 -10.041 2.188 1.00 0.00 H new ATOM 82 N GLY A 7 115.969 -7.625 2.001 1.00 0.00 N ATOM 83 CA GLY A 7 116.253 -6.320 1.408 1.00 0.00 C ATOM 84 C GLY A 7 115.216 -6.032 0.336 1.00 0.00 C ATOM 85 O GLY A 7 114.819 -6.941 -0.393 1.00 0.00 O ATOM 0 H GLY A 7 115.883 -8.387 1.329 1.00 0.00 H new ATOM 0 HA2 GLY A 7 116.229 -5.545 2.174 1.00 0.00 H new ATOM 0 HA3 GLY A 7 117.254 -6.312 0.977 1.00 0.00 H new ATOM 89 N GLY A 8 114.769 -4.782 0.248 1.00 0.00 N ATOM 90 CA GLY A 8 113.719 -4.444 -0.704 1.00 0.00 C ATOM 91 C GLY A 8 113.878 -3.036 -1.251 1.00 0.00 C ATOM 92 O GLY A 8 114.629 -2.223 -0.709 1.00 0.00 O ATOM 0 H GLY A 8 115.109 -4.003 0.811 1.00 0.00 H new ATOM 0 HA2 GLY A 8 113.734 -5.157 -1.528 1.00 0.00 H new ATOM 0 HA3 GLY A 8 112.747 -4.537 -0.220 1.00 0.00 H new ATOM 96 N TYR A 9 113.124 -2.754 -2.308 1.00 0.00 N ATOM 97 CA TYR A 9 113.145 -1.446 -2.947 1.00 0.00 C ATOM 98 C TYR A 9 111.784 -0.785 -2.786 1.00 0.00 C ATOM 99 O TYR A 9 110.753 -1.455 -2.844 1.00 0.00 O ATOM 100 CB TYR A 9 113.476 -1.592 -4.433 1.00 0.00 C ATOM 101 CG TYR A 9 114.827 -2.215 -4.691 1.00 0.00 C ATOM 102 CD1 TYR A 9 115.985 -1.429 -4.625 1.00 0.00 C ATOM 103 CD2 TYR A 9 114.924 -3.579 -4.995 1.00 0.00 C ATOM 104 CE1 TYR A 9 117.239 -2.007 -4.863 1.00 0.00 C ATOM 105 CE2 TYR A 9 116.178 -4.156 -5.232 1.00 0.00 C ATOM 106 CZ TYR A 9 117.334 -3.370 -5.166 1.00 0.00 C ATOM 107 OH TYR A 9 118.569 -3.939 -5.401 1.00 0.00 O ATOM 0 H TYR A 9 112.486 -3.421 -2.742 1.00 0.00 H new ATOM 0 HA TYR A 9 113.910 -0.828 -2.476 1.00 0.00 H new ATOM 0 HB2 TYR A 9 112.707 -2.200 -4.910 1.00 0.00 H new ATOM 0 HB3 TYR A 9 113.442 -0.609 -4.903 1.00 0.00 H new ATOM 0 HD1 TYR A 9 115.911 -0.377 -4.391 1.00 0.00 H new ATOM 0 HD2 TYR A 9 114.032 -4.186 -5.047 1.00 0.00 H new ATOM 0 HE1 TYR A 9 118.132 -1.401 -4.813 1.00 0.00 H new ATOM 0 HE2 TYR A 9 116.253 -5.208 -5.466 1.00 0.00 H new ATOM 0 HH TYR A 9 118.458 -4.893 -5.596 1.00 0.00 H new ATOM 117 N ALA A 10 111.795 0.519 -2.537 1.00 0.00 N ATOM 118 CA ALA A 10 110.562 1.270 -2.328 1.00 0.00 C ATOM 119 C ALA A 10 110.445 2.414 -3.326 1.00 0.00 C ATOM 120 O ALA A 10 111.435 3.075 -3.640 1.00 0.00 O ATOM 121 CB ALA A 10 110.549 1.852 -0.913 1.00 0.00 C ATOM 0 H ALA A 10 112.645 1.079 -2.475 1.00 0.00 H new ATOM 0 HA ALA A 10 109.723 0.589 -2.467 1.00 0.00 H new ATOM 0 HB1 ALA A 10 109.627 2.413 -0.759 1.00 0.00 H new ATOM 0 HB2 ALA A 10 110.607 1.042 -0.186 1.00 0.00 H new ATOM 0 HB3 ALA A 10 111.404 2.516 -0.785 1.00 0.00 H new ATOM 127 N GLN A 11 109.228 2.643 -3.808 1.00 0.00 N ATOM 128 CA GLN A 11 108.946 3.788 -4.668 1.00 0.00 C ATOM 129 C GLN A 11 107.916 4.680 -3.987 1.00 0.00 C ATOM 130 O GLN A 11 106.902 4.182 -3.496 1.00 0.00 O ATOM 131 CB GLN A 11 108.406 3.311 -6.017 1.00 0.00 C ATOM 132 CG GLN A 11 108.254 4.507 -6.960 1.00 0.00 C ATOM 133 CD GLN A 11 109.624 4.955 -7.459 1.00 0.00 C ATOM 134 OE1 GLN A 11 110.306 4.206 -8.158 1.00 0.00 O ATOM 135 NE2 GLN A 11 110.068 6.141 -7.141 1.00 0.00 N ATOM 0 H GLN A 11 108.420 2.050 -3.618 1.00 0.00 H new ATOM 0 HA GLN A 11 109.865 4.349 -4.838 1.00 0.00 H new ATOM 0 HB2 GLN A 11 109.083 2.576 -6.452 1.00 0.00 H new ATOM 0 HB3 GLN A 11 107.444 2.817 -5.881 1.00 0.00 H new ATOM 0 HG2 GLN A 11 107.621 4.236 -7.805 1.00 0.00 H new ATOM 0 HG3 GLN A 11 107.760 5.329 -6.442 1.00 0.00 H new ATOM 0 HE21 GLN A 11 109.501 6.760 -6.562 1.00 0.00 H new ATOM 0 HE22 GLN A 11 110.982 6.449 -7.472 1.00 0.00 H new ATOM 144 N SER A 12 108.179 5.987 -3.942 1.00 0.00 N ATOM 145 CA SER A 12 107.263 6.916 -3.286 1.00 0.00 C ATOM 146 C SER A 12 106.627 7.838 -4.317 1.00 0.00 C ATOM 147 O SER A 12 107.327 8.398 -5.164 1.00 0.00 O ATOM 148 CB SER A 12 108.019 7.753 -2.255 1.00 0.00 C ATOM 149 OG SER A 12 107.087 8.505 -1.490 1.00 0.00 O ATOM 0 H SER A 12 109.009 6.421 -4.347 1.00 0.00 H new ATOM 0 HA SER A 12 106.483 6.343 -2.785 1.00 0.00 H new ATOM 0 HB2 SER A 12 108.605 7.106 -1.603 1.00 0.00 H new ATOM 0 HB3 SER A 12 108.720 8.421 -2.755 1.00 0.00 H new ATOM 0 HG SER A 12 107.567 9.157 -0.939 1.00 0.00 H new ATOM 155 N ASP A 13 105.315 8.016 -4.198 1.00 0.00 N ATOM 156 CA ASP A 13 104.549 8.780 -5.176 1.00 0.00 C ATOM 157 C ASP A 13 104.720 10.277 -4.949 1.00 0.00 C ATOM 158 O ASP A 13 104.784 10.745 -3.813 1.00 0.00 O ATOM 159 CB ASP A 13 103.065 8.414 -5.076 1.00 0.00 C ATOM 160 CG ASP A 13 102.853 6.942 -5.424 1.00 0.00 C ATOM 161 OD1 ASP A 13 103.610 6.421 -6.229 1.00 0.00 O ATOM 162 OD2 ASP A 13 101.931 6.356 -4.882 1.00 0.00 O ATOM 0 H ASP A 13 104.758 7.640 -3.431 1.00 0.00 H new ATOM 0 HA ASP A 13 104.921 8.533 -6.170 1.00 0.00 H new ATOM 0 HB2 ASP A 13 102.703 8.611 -4.067 1.00 0.00 H new ATOM 0 HB3 ASP A 13 102.483 9.041 -5.752 1.00 0.00 H new ATOM 167 N ALA A 14 104.792 11.019 -6.048 1.00 0.00 N ATOM 168 CA ALA A 14 105.020 12.455 -5.984 1.00 0.00 C ATOM 169 C ALA A 14 103.724 13.235 -6.170 1.00 0.00 C ATOM 170 O ALA A 14 102.852 12.851 -6.951 1.00 0.00 O ATOM 171 CB ALA A 14 106.020 12.872 -7.064 1.00 0.00 C ATOM 0 H ALA A 14 104.696 10.649 -6.993 1.00 0.00 H new ATOM 0 HA ALA A 14 105.420 12.684 -4.996 1.00 0.00 H new ATOM 0 HB1 ALA A 14 106.186 13.948 -7.010 1.00 0.00 H new ATOM 0 HB2 ALA A 14 106.964 12.351 -6.906 1.00 0.00 H new ATOM 0 HB3 ALA A 14 105.623 12.615 -8.046 1.00 0.00 H new ATOM 177 N GLN A 15 103.616 14.335 -5.437 1.00 0.00 N ATOM 178 CA GLN A 15 102.500 15.259 -5.588 1.00 0.00 C ATOM 179 C GLN A 15 102.877 16.295 -6.640 1.00 0.00 C ATOM 180 O GLN A 15 104.059 16.547 -6.854 1.00 0.00 O ATOM 181 CB GLN A 15 102.199 15.947 -4.255 1.00 0.00 C ATOM 182 CG GLN A 15 100.930 16.796 -4.384 1.00 0.00 C ATOM 183 CD GLN A 15 100.565 17.442 -3.047 1.00 0.00 C ATOM 184 OE1 GLN A 15 101.162 17.141 -2.012 1.00 0.00 O ATOM 185 NE2 GLN A 15 99.606 18.327 -3.009 1.00 0.00 N ATOM 0 H GLN A 15 104.294 14.611 -4.726 1.00 0.00 H new ATOM 0 HA GLN A 15 101.607 14.717 -5.899 1.00 0.00 H new ATOM 0 HB2 GLN A 15 102.070 15.201 -3.471 1.00 0.00 H new ATOM 0 HB3 GLN A 15 103.040 16.576 -3.962 1.00 0.00 H new ATOM 0 HG2 GLN A 15 101.081 17.570 -5.137 1.00 0.00 H new ATOM 0 HG3 GLN A 15 100.105 16.173 -4.728 1.00 0.00 H new ATOM 0 HE21 GLN A 15 99.110 18.578 -3.864 1.00 0.00 H new ATOM 0 HE22 GLN A 15 99.353 18.767 -2.124 1.00 0.00 H new ATOM 194 N GLY A 16 101.889 16.876 -7.317 1.00 0.00 N ATOM 195 CA GLY A 16 102.166 17.750 -8.462 1.00 0.00 C ATOM 196 C GLY A 16 103.224 18.805 -8.136 1.00 0.00 C ATOM 197 O GLY A 16 103.296 19.297 -7.010 1.00 0.00 O ATOM 0 H GLY A 16 100.899 16.762 -7.099 1.00 0.00 H new ATOM 0 HA2 GLY A 16 102.503 17.147 -9.305 1.00 0.00 H new ATOM 0 HA3 GLY A 16 101.245 18.244 -8.772 1.00 0.00 H new ATOM 201 N GLN A 17 104.059 19.097 -9.132 1.00 0.00 N ATOM 202 CA GLN A 17 105.215 19.976 -8.969 1.00 0.00 C ATOM 203 C GLN A 17 106.245 19.366 -8.014 1.00 0.00 C ATOM 204 O GLN A 17 106.884 20.077 -7.236 1.00 0.00 O ATOM 205 CB GLN A 17 104.791 21.365 -8.476 1.00 0.00 C ATOM 206 CG GLN A 17 103.840 21.999 -9.493 1.00 0.00 C ATOM 207 CD GLN A 17 103.329 23.346 -8.984 1.00 0.00 C ATOM 208 OE1 GLN A 17 103.404 23.638 -7.790 1.00 0.00 O ATOM 209 NE2 GLN A 17 102.809 24.194 -9.831 1.00 0.00 N ATOM 0 H GLN A 17 103.952 18.729 -10.077 1.00 0.00 H new ATOM 0 HA GLN A 17 105.679 20.087 -9.949 1.00 0.00 H new ATOM 0 HB2 GLN A 17 104.301 21.284 -7.505 1.00 0.00 H new ATOM 0 HB3 GLN A 17 105.668 21.997 -8.339 1.00 0.00 H new ATOM 0 HG2 GLN A 17 104.354 22.135 -10.444 1.00 0.00 H new ATOM 0 HG3 GLN A 17 102.999 21.331 -9.678 1.00 0.00 H new ATOM 0 HE21 GLN A 17 102.746 23.953 -10.820 1.00 0.00 H new ATOM 0 HE22 GLN A 17 102.466 25.097 -9.503 1.00 0.00 H new ATOM 218 N MET A 18 106.409 18.045 -8.085 1.00 0.00 N ATOM 219 CA MET A 18 107.456 17.360 -7.326 1.00 0.00 C ATOM 220 C MET A 18 107.918 16.120 -8.086 1.00 0.00 C ATOM 221 O MET A 18 107.346 15.767 -9.117 1.00 0.00 O ATOM 222 CB MET A 18 106.959 16.949 -5.937 1.00 0.00 C ATOM 223 CG MET A 18 106.446 18.178 -5.187 1.00 0.00 C ATOM 224 SD MET A 18 105.977 17.704 -3.504 1.00 0.00 S ATOM 225 CE MET A 18 105.311 19.309 -2.995 1.00 0.00 C ATOM 0 H MET A 18 105.832 17.429 -8.658 1.00 0.00 H new ATOM 0 HA MET A 18 108.289 18.052 -7.202 1.00 0.00 H new ATOM 0 HB2 MET A 18 106.164 16.209 -6.029 1.00 0.00 H new ATOM 0 HB3 MET A 18 107.767 16.480 -5.376 1.00 0.00 H new ATOM 0 HG2 MET A 18 107.217 18.948 -5.158 1.00 0.00 H new ATOM 0 HG3 MET A 18 105.589 18.604 -5.709 1.00 0.00 H new ATOM 0 HE1 MET A 18 104.956 19.246 -1.966 1.00 0.00 H new ATOM 0 HE2 MET A 18 106.093 20.066 -3.064 1.00 0.00 H new ATOM 0 HE3 MET A 18 104.483 19.583 -3.648 1.00 0.00 H new ATOM 235 N ASN A 19 108.958 15.460 -7.576 1.00 0.00 N ATOM 236 CA ASN A 19 109.514 14.279 -8.237 1.00 0.00 C ATOM 237 C ASN A 19 109.349 13.028 -7.377 1.00 0.00 C ATOM 238 O ASN A 19 109.066 13.114 -6.181 1.00 0.00 O ATOM 239 CB ASN A 19 110.998 14.512 -8.526 1.00 0.00 C ATOM 240 CG ASN A 19 111.742 14.839 -7.233 1.00 0.00 C ATOM 241 OD1 ASN A 19 111.529 14.194 -6.209 1.00 0.00 O ATOM 242 ND2 ASN A 19 112.610 15.813 -7.223 1.00 0.00 N ATOM 0 H ASN A 19 109.431 15.722 -6.711 1.00 0.00 H new ATOM 0 HA ASN A 19 108.970 14.121 -9.168 1.00 0.00 H new ATOM 0 HB2 ASN A 19 111.430 13.624 -8.988 1.00 0.00 H new ATOM 0 HB3 ASN A 19 111.113 15.330 -9.237 1.00 0.00 H new ATOM 0 HD21 ASN A 19 113.112 16.040 -6.365 1.00 0.00 H new ATOM 0 HD22 ASN A 19 112.786 16.348 -8.073 1.00 0.00 H new ATOM 249 N LYS A 20 109.529 11.864 -7.999 1.00 0.00 N ATOM 250 CA LYS A 20 109.427 10.589 -7.290 1.00 0.00 C ATOM 251 C LYS A 20 110.668 10.366 -6.431 1.00 0.00 C ATOM 252 O LYS A 20 111.697 11.006 -6.652 1.00 0.00 O ATOM 253 CB LYS A 20 109.301 9.438 -8.293 1.00 0.00 C ATOM 254 CG LYS A 20 108.107 9.668 -9.224 1.00 0.00 C ATOM 255 CD LYS A 20 106.804 9.615 -8.422 1.00 0.00 C ATOM 256 CE LYS A 20 105.607 9.679 -9.376 1.00 0.00 C ATOM 257 NZ LYS A 20 104.438 8.998 -8.752 1.00 0.00 N ATOM 0 H LYS A 20 109.746 11.777 -8.992 1.00 0.00 H new ATOM 0 HA LYS A 20 108.543 10.617 -6.653 1.00 0.00 H new ATOM 0 HB2 LYS A 20 110.216 9.356 -8.879 1.00 0.00 H new ATOM 0 HB3 LYS A 20 109.178 8.495 -7.760 1.00 0.00 H new ATOM 0 HG2 LYS A 20 108.201 10.635 -9.718 1.00 0.00 H new ATOM 0 HG3 LYS A 20 108.094 8.910 -10.007 1.00 0.00 H new ATOM 0 HD2 LYS A 20 106.764 8.698 -7.835 1.00 0.00 H new ATOM 0 HD3 LYS A 20 106.765 10.446 -7.718 1.00 0.00 H new ATOM 0 HE2 LYS A 20 105.361 10.717 -9.598 1.00 0.00 H new ATOM 0 HE3 LYS A 20 105.857 9.201 -10.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 103.810 8.634 -9.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 104.770 8.208 -8.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 103.916 9.676 -8.160 1.00 0.00 H new ATOM 271 N MET A 21 110.577 9.462 -5.456 1.00 0.00 N ATOM 272 CA MET A 21 111.721 9.185 -4.584 1.00 0.00 C ATOM 273 C MET A 21 111.955 7.684 -4.467 1.00 0.00 C ATOM 274 O MET A 21 111.038 6.894 -4.678 1.00 0.00 O ATOM 275 CB MET A 21 111.481 9.779 -3.196 1.00 0.00 C ATOM 276 CG MET A 21 111.386 11.303 -3.302 1.00 0.00 C ATOM 277 SD MET A 21 111.324 12.031 -1.645 1.00 0.00 S ATOM 278 CE MET A 21 109.805 11.220 -1.086 1.00 0.00 C ATOM 0 H MET A 21 109.740 8.917 -5.251 1.00 0.00 H new ATOM 0 HA MET A 21 112.606 9.645 -5.024 1.00 0.00 H new ATOM 0 HB2 MET A 21 110.562 9.376 -2.770 1.00 0.00 H new ATOM 0 HB3 MET A 21 112.293 9.500 -2.524 1.00 0.00 H new ATOM 0 HG2 MET A 21 112.245 11.693 -3.848 1.00 0.00 H new ATOM 0 HG3 MET A 21 110.496 11.583 -3.866 1.00 0.00 H new ATOM 0 HE1 MET A 21 109.365 11.794 -0.270 1.00 0.00 H new ATOM 0 HE2 MET A 21 109.097 11.164 -1.913 1.00 0.00 H new ATOM 0 HE3 MET A 21 110.037 10.213 -0.738 1.00 0.00 H new ATOM 288 N GLY A 22 113.181 7.292 -4.112 1.00 0.00 N ATOM 289 CA GLY A 22 113.517 5.875 -3.989 1.00 0.00 C ATOM 290 C GLY A 22 113.976 5.569 -2.570 1.00 0.00 C ATOM 291 O GLY A 22 114.583 6.416 -1.920 1.00 0.00 O ATOM 0 H GLY A 22 113.950 7.930 -3.907 1.00 0.00 H new ATOM 0 HA2 GLY A 22 112.649 5.264 -4.239 1.00 0.00 H new ATOM 0 HA3 GLY A 22 114.304 5.617 -4.698 1.00 0.00 H new ATOM 295 N GLY A 23 113.681 4.367 -2.092 1.00 0.00 N ATOM 296 CA GLY A 23 114.037 3.993 -0.727 1.00 0.00 C ATOM 297 C GLY A 23 114.593 2.577 -0.651 1.00 0.00 C ATOM 298 O GLY A 23 114.148 1.687 -1.374 1.00 0.00 O ATOM 0 H GLY A 23 113.201 3.640 -2.622 1.00 0.00 H new ATOM 0 HA2 GLY A 23 114.776 4.694 -0.340 1.00 0.00 H new ATOM 0 HA3 GLY A 23 113.157 4.072 -0.088 1.00 0.00 H new ATOM 302 N PHE A 24 115.577 2.384 0.221 1.00 0.00 N ATOM 303 CA PHE A 24 116.127 1.056 0.473 1.00 0.00 C ATOM 304 C PHE A 24 115.715 0.602 1.868 1.00 0.00 C ATOM 305 O PHE A 24 115.790 1.388 2.814 1.00 0.00 O ATOM 306 CB PHE A 24 117.654 1.089 0.372 1.00 0.00 C ATOM 307 CG PHE A 24 118.297 -0.270 0.514 1.00 0.00 C ATOM 308 CD1 PHE A 24 118.423 -1.106 -0.603 1.00 0.00 C ATOM 309 CD2 PHE A 24 118.767 -0.696 1.762 1.00 0.00 C ATOM 310 CE1 PHE A 24 119.020 -2.365 -0.471 1.00 0.00 C ATOM 311 CE2 PHE A 24 119.363 -1.955 1.895 1.00 0.00 C ATOM 312 CZ PHE A 24 119.491 -2.790 0.777 1.00 0.00 C ATOM 0 H PHE A 24 116.010 3.130 0.765 1.00 0.00 H new ATOM 0 HA PHE A 24 115.742 0.359 -0.271 1.00 0.00 H new ATOM 0 HB2 PHE A 24 117.937 1.517 -0.589 1.00 0.00 H new ATOM 0 HB3 PHE A 24 118.047 1.750 1.144 1.00 0.00 H new ATOM 0 HD1 PHE A 24 118.059 -0.779 -1.566 1.00 0.00 H new ATOM 0 HD2 PHE A 24 118.669 -0.052 2.623 1.00 0.00 H new ATOM 0 HE1 PHE A 24 119.117 -3.009 -1.332 1.00 0.00 H new ATOM 0 HE2 PHE A 24 119.724 -2.283 2.859 1.00 0.00 H new ATOM 0 HZ PHE A 24 119.953 -3.761 0.878 1.00 0.00 H new ATOM 322 N ASN A 25 115.257 -0.645 1.999 1.00 0.00 N ATOM 323 CA ASN A 25 114.768 -1.134 3.288 1.00 0.00 C ATOM 324 C ASN A 25 115.446 -2.440 3.686 1.00 0.00 C ATOM 325 O ASN A 25 115.637 -3.328 2.855 1.00 0.00 O ATOM 326 CB ASN A 25 113.253 -1.349 3.214 1.00 0.00 C ATOM 327 CG ASN A 25 112.918 -2.383 2.146 1.00 0.00 C ATOM 328 OD1 ASN A 25 113.194 -3.570 2.321 1.00 0.00 O ATOM 329 ND2 ASN A 25 112.337 -2.003 1.040 1.00 0.00 N ATOM 0 H ASN A 25 115.215 -1.325 1.240 1.00 0.00 H new ATOM 0 HA ASN A 25 115.005 -0.385 4.043 1.00 0.00 H new ATOM 0 HB2 ASN A 25 112.878 -1.681 4.182 1.00 0.00 H new ATOM 0 HB3 ASN A 25 112.756 -0.406 2.986 1.00 0.00 H new ATOM 0 HD21 ASN A 25 112.112 -2.690 0.320 1.00 0.00 H new ATOM 0 HD22 ASN A 25 112.109 -1.019 0.896 1.00 0.00 H new ATOM 336 N LEU A 26 115.807 -2.534 4.964 1.00 0.00 N ATOM 337 CA LEU A 26 116.383 -3.755 5.521 1.00 0.00 C ATOM 338 C LEU A 26 115.524 -4.224 6.691 1.00 0.00 C ATOM 339 O LEU A 26 115.141 -3.411 7.533 1.00 0.00 O ATOM 340 CB LEU A 26 117.811 -3.486 6.002 1.00 0.00 C ATOM 341 CG LEU A 26 118.466 -4.796 6.438 1.00 0.00 C ATOM 342 CD1 LEU A 26 118.936 -5.570 5.204 1.00 0.00 C ATOM 343 CD2 LEU A 26 119.669 -4.488 7.333 1.00 0.00 C ATOM 0 H LEU A 26 115.710 -1.774 5.637 1.00 0.00 H new ATOM 0 HA LEU A 26 116.410 -4.528 4.753 1.00 0.00 H new ATOM 0 HB2 LEU A 26 118.393 -3.026 5.203 1.00 0.00 H new ATOM 0 HB3 LEU A 26 117.798 -2.781 6.833 1.00 0.00 H new ATOM 0 HG LEU A 26 117.743 -5.397 6.989 1.00 0.00 H new ATOM 0 HD11 LEU A 26 119.403 -6.504 5.516 1.00 0.00 H new ATOM 0 HD12 LEU A 26 118.081 -5.788 4.564 1.00 0.00 H new ATOM 0 HD13 LEU A 26 119.659 -4.970 4.652 1.00 0.00 H new ATOM 0 HD21 LEU A 26 120.138 -5.421 7.646 1.00 0.00 H new ATOM 0 HD22 LEU A 26 120.390 -3.887 6.779 1.00 0.00 H new ATOM 0 HD23 LEU A 26 119.336 -3.937 8.213 1.00 0.00 H new ATOM 355 N LYS A 27 115.212 -5.518 6.750 1.00 0.00 N ATOM 356 CA LYS A 27 114.301 -6.027 7.778 1.00 0.00 C ATOM 357 C LYS A 27 114.899 -7.214 8.529 1.00 0.00 C ATOM 358 O LYS A 27 115.598 -8.045 7.950 1.00 0.00 O ATOM 359 CB LYS A 27 112.984 -6.460 7.133 1.00 0.00 C ATOM 360 CG LYS A 27 112.310 -5.250 6.482 1.00 0.00 C ATOM 361 CD LYS A 27 110.943 -5.659 5.934 1.00 0.00 C ATOM 362 CE LYS A 27 110.323 -4.482 5.176 1.00 0.00 C ATOM 363 NZ LYS A 27 110.950 -4.372 3.830 1.00 0.00 N ATOM 0 H LYS A 27 115.570 -6.226 6.108 1.00 0.00 H new ATOM 0 HA LYS A 27 114.129 -5.221 8.492 1.00 0.00 H new ATOM 0 HB2 LYS A 27 113.170 -7.232 6.386 1.00 0.00 H new ATOM 0 HB3 LYS A 27 112.325 -6.896 7.884 1.00 0.00 H new ATOM 0 HG2 LYS A 27 112.196 -4.448 7.212 1.00 0.00 H new ATOM 0 HG3 LYS A 27 112.935 -4.862 5.677 1.00 0.00 H new ATOM 0 HD2 LYS A 27 111.047 -6.518 5.271 1.00 0.00 H new ATOM 0 HD3 LYS A 27 110.289 -5.965 6.751 1.00 0.00 H new ATOM 0 HE2 LYS A 27 109.247 -4.626 5.077 1.00 0.00 H new ATOM 0 HE3 LYS A 27 110.471 -3.558 5.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 110.429 -3.676 3.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 111.939 -4.066 3.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 110.921 -5.298 3.357 1.00 0.00 H new ATOM 377 N TYR A 28 114.608 -7.276 9.824 1.00 0.00 N ATOM 378 CA TYR A 28 115.002 -8.413 10.651 1.00 0.00 C ATOM 379 C TYR A 28 113.764 -9.011 11.314 1.00 0.00 C ATOM 380 O TYR A 28 112.899 -8.272 11.778 1.00 0.00 O ATOM 381 CB TYR A 28 115.992 -7.965 11.727 1.00 0.00 C ATOM 382 CG TYR A 28 117.260 -7.361 11.168 1.00 0.00 C ATOM 383 CD1 TYR A 28 118.296 -8.194 10.725 1.00 0.00 C ATOM 384 CD2 TYR A 28 117.400 -5.971 11.094 1.00 0.00 C ATOM 385 CE1 TYR A 28 119.471 -7.636 10.210 1.00 0.00 C ATOM 386 CE2 TYR A 28 118.576 -5.411 10.578 1.00 0.00 C ATOM 387 CZ TYR A 28 119.611 -6.245 10.136 1.00 0.00 C ATOM 388 OH TYR A 28 120.770 -5.694 9.628 1.00 0.00 O ATOM 0 H TYR A 28 114.098 -6.549 10.326 1.00 0.00 H new ATOM 0 HA TYR A 28 115.480 -9.163 10.021 1.00 0.00 H new ATOM 0 HB2 TYR A 28 115.506 -7.235 12.375 1.00 0.00 H new ATOM 0 HB3 TYR A 28 116.251 -8.821 12.350 1.00 0.00 H new ATOM 0 HD1 TYR A 28 118.187 -9.267 10.781 1.00 0.00 H new ATOM 0 HD2 TYR A 28 116.601 -5.329 11.435 1.00 0.00 H new ATOM 0 HE1 TYR A 28 120.270 -8.278 9.870 1.00 0.00 H new ATOM 0 HE2 TYR A 28 118.684 -4.338 10.521 1.00 0.00 H new ATOM 0 HH TYR A 28 121.280 -6.384 9.154 1.00 0.00 H new ATOM 398 N ARG A 29 113.687 -10.339 11.361 1.00 0.00 N ATOM 399 CA ARG A 29 112.516 -11.018 11.916 1.00 0.00 C ATOM 400 C ARG A 29 112.928 -12.100 12.912 1.00 0.00 C ATOM 401 O ARG A 29 113.946 -12.770 12.732 1.00 0.00 O ATOM 402 CB ARG A 29 111.689 -11.646 10.791 1.00 0.00 C ATOM 403 CG ARG A 29 110.400 -12.251 11.357 1.00 0.00 C ATOM 404 CD ARG A 29 109.603 -12.904 10.228 1.00 0.00 C ATOM 405 NE ARG A 29 108.311 -13.382 10.729 1.00 0.00 N ATOM 406 CZ ARG A 29 108.152 -14.545 11.380 1.00 0.00 C ATOM 407 NH1 ARG A 29 109.157 -15.352 11.623 1.00 0.00 N ATOM 408 NH2 ARG A 29 106.959 -14.884 11.786 1.00 0.00 N ATOM 0 H ARG A 29 114.418 -10.965 11.023 1.00 0.00 H new ATOM 0 HA ARG A 29 111.915 -10.275 12.440 1.00 0.00 H new ATOM 0 HB2 ARG A 29 111.447 -10.891 10.043 1.00 0.00 H new ATOM 0 HB3 ARG A 29 112.272 -12.418 10.289 1.00 0.00 H new ATOM 0 HG2 ARG A 29 110.638 -12.990 12.122 1.00 0.00 H new ATOM 0 HG3 ARG A 29 109.802 -11.476 11.837 1.00 0.00 H new ATOM 0 HD2 ARG A 29 109.446 -12.187 9.422 1.00 0.00 H new ATOM 0 HD3 ARG A 29 110.168 -13.736 9.808 1.00 0.00 H new ATOM 0 HE ARG A 29 107.488 -12.799 10.575 1.00 0.00 H new ATOM 0 HH11 ARG A 29 110.097 -15.103 11.314 1.00 0.00 H new ATOM 0 HH12 ARG A 29 108.999 -16.228 12.121 1.00 0.00 H new ATOM 0 HH21 ARG A 29 106.165 -14.269 11.607 1.00 0.00 H new ATOM 0 HH22 ARG A 29 106.820 -15.764 12.282 1.00 0.00 H new ATOM 422 N TYR A 30 112.128 -12.260 13.963 1.00 0.00 N ATOM 423 CA TYR A 30 112.365 -13.311 14.947 1.00 0.00 C ATOM 424 C TYR A 30 111.371 -14.445 14.726 1.00 0.00 C ATOM 425 O TYR A 30 110.215 -14.198 14.383 1.00 0.00 O ATOM 426 CB TYR A 30 112.205 -12.751 16.361 1.00 0.00 C ATOM 427 CG TYR A 30 113.189 -11.652 16.687 1.00 0.00 C ATOM 428 CD1 TYR A 30 112.861 -10.317 16.423 1.00 0.00 C ATOM 429 CD2 TYR A 30 114.429 -11.969 17.256 1.00 0.00 C ATOM 430 CE1 TYR A 30 113.771 -9.297 16.727 1.00 0.00 C ATOM 431 CE2 TYR A 30 115.341 -10.949 17.559 1.00 0.00 C ATOM 432 CZ TYR A 30 115.011 -9.614 17.294 1.00 0.00 C ATOM 433 OH TYR A 30 115.909 -8.611 17.594 1.00 0.00 O ATOM 0 H TYR A 30 111.313 -11.677 14.154 1.00 0.00 H new ATOM 0 HA TYR A 30 113.381 -13.689 14.831 1.00 0.00 H new ATOM 0 HB2 TYR A 30 111.192 -12.368 16.479 1.00 0.00 H new ATOM 0 HB3 TYR A 30 112.325 -13.561 17.080 1.00 0.00 H new ATOM 0 HD1 TYR A 30 111.905 -10.073 15.984 1.00 0.00 H new ATOM 0 HD2 TYR A 30 114.682 -12.999 17.461 1.00 0.00 H new ATOM 0 HE1 TYR A 30 113.517 -8.267 16.524 1.00 0.00 H new ATOM 0 HE2 TYR A 30 116.298 -11.192 17.997 1.00 0.00 H new ATOM 0 HH TYR A 30 116.719 -9.003 17.982 1.00 0.00 H new ATOM 443 N GLU A 31 111.818 -15.684 14.922 1.00 0.00 N ATOM 444 CA GLU A 31 110.958 -16.833 14.658 1.00 0.00 C ATOM 445 C GLU A 31 110.223 -17.246 15.926 1.00 0.00 C ATOM 446 O GLU A 31 110.833 -17.502 16.964 1.00 0.00 O ATOM 447 CB GLU A 31 111.793 -18.008 14.147 1.00 0.00 C ATOM 448 CG GLU A 31 110.862 -19.148 13.717 1.00 0.00 C ATOM 449 CD GLU A 31 111.643 -20.394 13.285 1.00 0.00 C ATOM 450 OE1 GLU A 31 112.866 -20.384 13.333 1.00 0.00 O ATOM 451 OE2 GLU A 31 110.995 -21.358 12.910 1.00 0.00 O ATOM 0 H GLU A 31 112.754 -15.915 15.257 1.00 0.00 H new ATOM 0 HA GLU A 31 110.229 -16.551 13.899 1.00 0.00 H new ATOM 0 HB2 GLU A 31 112.410 -17.691 13.306 1.00 0.00 H new ATOM 0 HB3 GLU A 31 112.471 -18.353 14.928 1.00 0.00 H new ATOM 0 HG2 GLU A 31 110.198 -19.404 14.542 1.00 0.00 H new ATOM 0 HG3 GLU A 31 110.232 -18.811 12.894 1.00 0.00 H new ATOM 458 N GLU A 32 108.899 -17.304 15.821 1.00 0.00 N ATOM 459 CA GLU A 32 108.046 -17.595 16.966 1.00 0.00 C ATOM 460 C GLU A 32 107.005 -18.649 16.608 1.00 0.00 C ATOM 461 O GLU A 32 106.619 -18.789 15.447 1.00 0.00 O ATOM 462 CB GLU A 32 107.346 -16.316 17.425 1.00 0.00 C ATOM 463 CG GLU A 32 108.393 -15.286 17.865 1.00 0.00 C ATOM 464 CD GLU A 32 109.215 -15.794 19.052 1.00 0.00 C ATOM 465 OE1 GLU A 32 108.782 -16.723 19.719 1.00 0.00 O ATOM 466 OE2 GLU A 32 110.278 -15.239 19.280 1.00 0.00 O ATOM 0 H GLU A 32 108.392 -17.152 14.949 1.00 0.00 H new ATOM 0 HA GLU A 32 108.668 -17.981 17.773 1.00 0.00 H new ATOM 0 HB2 GLU A 32 106.740 -15.910 16.615 1.00 0.00 H new ATOM 0 HB3 GLU A 32 106.669 -16.536 18.250 1.00 0.00 H new ATOM 0 HG2 GLU A 32 109.057 -15.062 17.030 1.00 0.00 H new ATOM 0 HG3 GLU A 32 107.897 -14.354 18.137 1.00 0.00 H new ATOM 473 N ASP A 33 106.556 -19.388 17.616 1.00 0.00 N ATOM 474 CA ASP A 33 105.547 -20.418 17.408 1.00 0.00 C ATOM 475 C ASP A 33 104.175 -19.778 17.204 1.00 0.00 C ATOM 476 O ASP A 33 104.058 -18.559 17.083 1.00 0.00 O ATOM 477 CB ASP A 33 105.532 -21.412 18.577 1.00 0.00 C ATOM 478 CG ASP A 33 105.032 -20.756 19.859 1.00 0.00 C ATOM 479 OD1 ASP A 33 105.852 -20.228 20.591 1.00 0.00 O ATOM 480 OD2 ASP A 33 103.834 -20.792 20.086 1.00 0.00 O ATOM 0 H ASP A 33 106.873 -19.293 18.581 1.00 0.00 H new ATOM 0 HA ASP A 33 105.799 -20.977 16.507 1.00 0.00 H new ATOM 0 HB2 ASP A 33 104.894 -22.260 18.328 1.00 0.00 H new ATOM 0 HB3 ASP A 33 106.536 -21.805 18.735 1.00 0.00 H new ATOM 485 N ASN A 34 103.158 -20.614 17.036 1.00 0.00 N ATOM 486 CA ASN A 34 101.818 -20.131 16.724 1.00 0.00 C ATOM 487 C ASN A 34 101.287 -19.114 17.739 1.00 0.00 C ATOM 488 O ASN A 34 100.633 -18.148 17.342 1.00 0.00 O ATOM 489 CB ASN A 34 100.854 -21.316 16.656 1.00 0.00 C ATOM 490 CG ASN A 34 99.527 -20.876 16.043 1.00 0.00 C ATOM 491 OD1 ASN A 34 99.488 -20.449 14.890 1.00 0.00 O ATOM 492 ND2 ASN A 34 98.434 -20.955 16.752 1.00 0.00 N ATOM 0 H ASN A 34 103.235 -21.628 17.110 1.00 0.00 H new ATOM 0 HA ASN A 34 101.885 -19.620 15.763 1.00 0.00 H new ATOM 0 HB2 ASN A 34 101.291 -22.117 16.060 1.00 0.00 H new ATOM 0 HB3 ASN A 34 100.687 -21.717 17.656 1.00 0.00 H new ATOM 0 HD21 ASN A 34 97.543 -20.662 16.350 1.00 0.00 H new ATOM 0 HD22 ASN A 34 98.471 -21.310 17.708 1.00 0.00 H new ATOM 499 N SER A 35 101.561 -19.308 19.032 1.00 0.00 N ATOM 500 CA SER A 35 100.867 -18.521 20.055 1.00 0.00 C ATOM 501 C SER A 35 101.511 -17.160 20.360 1.00 0.00 C ATOM 502 O SER A 35 100.807 -16.251 20.804 1.00 0.00 O ATOM 503 CB SER A 35 100.792 -19.331 21.350 1.00 0.00 C ATOM 504 OG SER A 35 99.853 -20.387 21.184 1.00 0.00 O ATOM 0 H SER A 35 102.238 -19.983 19.389 1.00 0.00 H new ATOM 0 HA SER A 35 99.878 -18.309 19.648 1.00 0.00 H new ATOM 0 HB2 SER A 35 101.773 -19.736 21.598 1.00 0.00 H new ATOM 0 HB3 SER A 35 100.493 -18.689 22.179 1.00 0.00 H new ATOM 0 HG SER A 35 99.801 -20.912 22.010 1.00 0.00 H new ATOM 510 N PRO A 36 102.792 -16.975 20.154 1.00 0.00 N ATOM 511 CA PRO A 36 103.380 -15.610 20.078 1.00 0.00 C ATOM 512 C PRO A 36 103.673 -15.178 18.642 1.00 0.00 C ATOM 513 O PRO A 36 104.092 -15.982 17.810 1.00 0.00 O ATOM 514 CB PRO A 36 104.675 -15.742 20.882 1.00 0.00 C ATOM 515 CG PRO A 36 105.082 -17.176 20.767 1.00 0.00 C ATOM 516 CD PRO A 36 103.862 -17.975 20.300 1.00 0.00 C ATOM 0 HA PRO A 36 102.701 -14.849 20.462 1.00 0.00 H new ATOM 0 HB2 PRO A 36 105.449 -15.083 20.488 1.00 0.00 H new ATOM 0 HB3 PRO A 36 104.519 -15.462 21.924 1.00 0.00 H new ATOM 0 HG2 PRO A 36 105.903 -17.284 20.058 1.00 0.00 H new ATOM 0 HG3 PRO A 36 105.438 -17.550 21.727 1.00 0.00 H new ATOM 0 HD2 PRO A 36 104.060 -18.484 19.356 1.00 0.00 H new ATOM 0 HD3 PRO A 36 103.590 -18.742 21.025 1.00 0.00 H new ATOM 524 N LEU A 37 103.443 -13.897 18.366 1.00 0.00 N ATOM 525 CA LEU A 37 103.617 -13.354 17.020 1.00 0.00 C ATOM 526 C LEU A 37 105.093 -13.115 16.713 1.00 0.00 C ATOM 527 O LEU A 37 105.930 -13.109 17.614 1.00 0.00 O ATOM 528 CB LEU A 37 102.845 -12.036 16.882 1.00 0.00 C ATOM 529 CG LEU A 37 101.368 -12.249 17.227 1.00 0.00 C ATOM 530 CD1 LEU A 37 100.635 -10.906 17.172 1.00 0.00 C ATOM 531 CD2 LEU A 37 100.734 -13.211 16.219 1.00 0.00 C ATOM 0 H LEU A 37 103.135 -13.214 19.058 1.00 0.00 H new ATOM 0 HA LEU A 37 103.228 -14.082 16.309 1.00 0.00 H new ATOM 0 HB2 LEU A 37 103.275 -11.283 17.543 1.00 0.00 H new ATOM 0 HB3 LEU A 37 102.937 -11.657 15.864 1.00 0.00 H new ATOM 0 HG LEU A 37 101.290 -12.671 18.229 1.00 0.00 H new ATOM 0 HD11 LEU A 37 99.583 -11.055 17.417 1.00 0.00 H new ATOM 0 HD12 LEU A 37 101.081 -10.218 17.890 1.00 0.00 H new ATOM 0 HD13 LEU A 37 100.718 -10.487 16.169 1.00 0.00 H new ATOM 0 HD21 LEU A 37 99.683 -13.359 16.469 1.00 0.00 H new ATOM 0 HD22 LEU A 37 100.813 -12.791 15.216 1.00 0.00 H new ATOM 0 HD23 LEU A 37 101.254 -14.169 16.253 1.00 0.00 H new ATOM 543 N GLY A 38 105.404 -12.919 15.432 1.00 0.00 N ATOM 544 CA GLY A 38 106.784 -12.691 15.018 1.00 0.00 C ATOM 545 C GLY A 38 107.073 -11.196 14.968 1.00 0.00 C ATOM 546 O GLY A 38 106.234 -10.423 14.513 1.00 0.00 O ATOM 0 H GLY A 38 104.725 -12.914 14.671 1.00 0.00 H new ATOM 0 HA2 GLY A 38 107.466 -13.179 15.714 1.00 0.00 H new ATOM 0 HA3 GLY A 38 106.957 -13.136 14.038 1.00 0.00 H new ATOM 550 N VAL A 39 108.261 -10.787 15.410 1.00 0.00 N ATOM 551 CA VAL A 39 108.571 -9.360 15.503 1.00 0.00 C ATOM 552 C VAL A 39 109.451 -8.942 14.332 1.00 0.00 C ATOM 553 O VAL A 39 110.508 -9.526 14.101 1.00 0.00 O ATOM 554 CB VAL A 39 109.284 -9.057 16.827 1.00 0.00 C ATOM 555 CG1 VAL A 39 109.512 -7.548 16.959 1.00 0.00 C ATOM 556 CG2 VAL A 39 108.424 -9.532 18.002 1.00 0.00 C ATOM 0 H VAL A 39 109.013 -11.410 15.705 1.00 0.00 H new ATOM 0 HA VAL A 39 107.639 -8.795 15.468 1.00 0.00 H new ATOM 0 HB VAL A 39 110.241 -9.578 16.838 1.00 0.00 H new ATOM 0 HG11 VAL A 39 110.019 -7.338 17.901 1.00 0.00 H new ATOM 0 HG12 VAL A 39 110.128 -7.199 16.130 1.00 0.00 H new ATOM 0 HG13 VAL A 39 108.552 -7.032 16.940 1.00 0.00 H new ATOM 0 HG21 VAL A 39 108.936 -9.314 18.939 1.00 0.00 H new ATOM 0 HG22 VAL A 39 107.465 -9.014 17.984 1.00 0.00 H new ATOM 0 HG23 VAL A 39 108.258 -10.606 17.921 1.00 0.00 H new ATOM 566 N ILE A 40 109.008 -7.923 13.596 1.00 0.00 N ATOM 567 CA ILE A 40 109.766 -7.432 12.449 1.00 0.00 C ATOM 568 C ILE A 40 110.084 -5.955 12.639 1.00 0.00 C ATOM 569 O ILE A 40 109.226 -5.180 13.055 1.00 0.00 O ATOM 570 CB ILE A 40 108.960 -7.641 11.159 1.00 0.00 C ATOM 571 CG1 ILE A 40 108.652 -9.132 10.994 1.00 0.00 C ATOM 572 CG2 ILE A 40 109.766 -7.165 9.947 1.00 0.00 C ATOM 573 CD1 ILE A 40 107.694 -9.334 9.820 1.00 0.00 C ATOM 0 H ILE A 40 108.135 -7.426 13.773 1.00 0.00 H new ATOM 0 HA ILE A 40 110.700 -7.988 12.370 1.00 0.00 H new ATOM 0 HB ILE A 40 108.035 -7.068 11.223 1.00 0.00 H new ATOM 0 HG12 ILE A 40 109.574 -9.687 10.823 1.00 0.00 H new ATOM 0 HG13 ILE A 40 108.209 -9.525 11.909 1.00 0.00 H new ATOM 0 HG21 ILE A 40 109.183 -7.319 9.039 1.00 0.00 H new ATOM 0 HG22 ILE A 40 109.995 -6.105 10.056 1.00 0.00 H new ATOM 0 HG23 ILE A 40 110.695 -7.732 9.882 1.00 0.00 H new ATOM 0 HD11 ILE A 40 107.477 -10.396 9.706 1.00 0.00 H new ATOM 0 HD12 ILE A 40 106.767 -8.793 10.010 1.00 0.00 H new ATOM 0 HD13 ILE A 40 108.154 -8.957 8.906 1.00 0.00 H new ATOM 585 N GLY A 41 111.328 -5.589 12.347 1.00 0.00 N ATOM 586 CA GLY A 41 111.751 -4.194 12.396 1.00 0.00 C ATOM 587 C GLY A 41 112.391 -3.809 11.069 1.00 0.00 C ATOM 588 O GLY A 41 113.157 -4.588 10.503 1.00 0.00 O ATOM 0 H GLY A 41 112.063 -6.241 12.073 1.00 0.00 H new ATOM 0 HA2 GLY A 41 110.895 -3.551 12.599 1.00 0.00 H new ATOM 0 HA3 GLY A 41 112.461 -4.047 13.210 1.00 0.00 H new ATOM 592 N SER A 42 112.074 -2.617 10.574 1.00 0.00 N ATOM 593 CA SER A 42 112.558 -2.193 9.262 1.00 0.00 C ATOM 594 C SER A 42 113.151 -0.791 9.324 1.00 0.00 C ATOM 595 O SER A 42 112.592 0.100 9.963 1.00 0.00 O ATOM 596 CB SER A 42 111.401 -2.201 8.262 1.00 0.00 C ATOM 597 OG SER A 42 111.909 -1.948 6.959 1.00 0.00 O ATOM 0 H SER A 42 111.490 -1.932 11.055 1.00 0.00 H new ATOM 0 HA SER A 42 113.335 -2.888 8.945 1.00 0.00 H new ATOM 0 HB2 SER A 42 110.890 -3.164 8.286 1.00 0.00 H new ATOM 0 HB3 SER A 42 110.666 -1.443 8.532 1.00 0.00 H new ATOM 0 HG SER A 42 111.226 -1.492 6.424 1.00 0.00 H new ATOM 603 N PHE A 43 114.285 -0.612 8.654 1.00 0.00 N ATOM 604 CA PHE A 43 114.907 0.702 8.534 1.00 0.00 C ATOM 605 C PHE A 43 114.895 1.126 7.071 1.00 0.00 C ATOM 606 O PHE A 43 115.308 0.355 6.204 1.00 0.00 O ATOM 607 CB PHE A 43 116.347 0.653 9.047 1.00 0.00 C ATOM 608 CG PHE A 43 117.025 2.002 9.068 1.00 0.00 C ATOM 609 CD1 PHE A 43 116.858 2.854 10.167 1.00 0.00 C ATOM 610 CD2 PHE A 43 117.820 2.403 7.986 1.00 0.00 C ATOM 611 CE1 PHE A 43 117.486 4.104 10.186 1.00 0.00 C ATOM 612 CE2 PHE A 43 118.447 3.654 8.005 1.00 0.00 C ATOM 613 CZ PHE A 43 118.280 4.506 9.105 1.00 0.00 C ATOM 0 H PHE A 43 114.793 -1.362 8.185 1.00 0.00 H new ATOM 0 HA PHE A 43 114.349 1.423 9.132 1.00 0.00 H new ATOM 0 HB2 PHE A 43 116.351 0.237 10.055 1.00 0.00 H new ATOM 0 HB3 PHE A 43 116.925 -0.026 8.420 1.00 0.00 H new ATOM 0 HD1 PHE A 43 116.244 2.546 11.000 1.00 0.00 H new ATOM 0 HD2 PHE A 43 117.949 1.747 7.138 1.00 0.00 H new ATOM 0 HE1 PHE A 43 117.358 4.759 11.035 1.00 0.00 H new ATOM 0 HE2 PHE A 43 119.060 3.963 7.171 1.00 0.00 H new ATOM 0 HZ PHE A 43 118.763 5.472 9.119 1.00 0.00 H new ATOM 623 N THR A 44 114.410 2.334 6.796 1.00 0.00 N ATOM 624 CA THR A 44 114.304 2.813 5.420 1.00 0.00 C ATOM 625 C THR A 44 115.009 4.155 5.260 1.00 0.00 C ATOM 626 O THR A 44 114.892 5.032 6.116 1.00 0.00 O ATOM 627 CB THR A 44 112.830 2.963 5.039 1.00 0.00 C ATOM 628 OG1 THR A 44 112.152 1.742 5.291 1.00 0.00 O ATOM 629 CG2 THR A 44 112.715 3.312 3.554 1.00 0.00 C ATOM 0 H THR A 44 114.086 2.995 7.502 1.00 0.00 H new ATOM 0 HA THR A 44 114.783 2.086 4.763 1.00 0.00 H new ATOM 0 HB THR A 44 112.382 3.760 5.633 1.00 0.00 H new ATOM 0 HG1 THR A 44 111.207 1.837 5.049 1.00 0.00 H new ATOM 0 HG21 THR A 44 111.664 3.418 3.286 1.00 0.00 H new ATOM 0 HG22 THR A 44 113.236 4.250 3.359 1.00 0.00 H new ATOM 0 HG23 THR A 44 113.163 2.517 2.958 1.00 0.00 H new ATOM 637 N TYR A 45 115.737 4.296 4.155 1.00 0.00 N ATOM 638 CA TYR A 45 116.415 5.547 3.833 1.00 0.00 C ATOM 639 C TYR A 45 116.014 6.006 2.436 1.00 0.00 C ATOM 640 O TYR A 45 116.039 5.212 1.497 1.00 0.00 O ATOM 641 CB TYR A 45 117.931 5.346 3.890 1.00 0.00 C ATOM 642 CG TYR A 45 118.719 6.599 3.597 1.00 0.00 C ATOM 643 CD1 TYR A 45 119.091 6.901 2.281 1.00 0.00 C ATOM 644 CD2 TYR A 45 119.078 7.461 4.641 1.00 0.00 C ATOM 645 CE1 TYR A 45 119.824 8.061 2.010 1.00 0.00 C ATOM 646 CE2 TYR A 45 119.811 8.622 4.369 1.00 0.00 C ATOM 647 CZ TYR A 45 120.184 8.922 3.053 1.00 0.00 C ATOM 648 OH TYR A 45 120.906 10.066 2.785 1.00 0.00 O ATOM 0 H TYR A 45 115.872 3.556 3.466 1.00 0.00 H new ATOM 0 HA TYR A 45 116.125 6.306 4.560 1.00 0.00 H new ATOM 0 HB2 TYR A 45 118.203 4.979 4.880 1.00 0.00 H new ATOM 0 HB3 TYR A 45 118.214 4.574 3.175 1.00 0.00 H new ATOM 0 HD1 TYR A 45 118.812 6.238 1.475 1.00 0.00 H new ATOM 0 HD2 TYR A 45 118.789 7.230 5.656 1.00 0.00 H new ATOM 0 HE1 TYR A 45 120.112 8.292 0.995 1.00 0.00 H new ATOM 0 HE2 TYR A 45 120.089 9.286 5.174 1.00 0.00 H new ATOM 0 HH TYR A 45 120.689 10.386 1.885 1.00 0.00 H new ATOM 658 N THR A 46 115.659 7.283 2.297 1.00 0.00 N ATOM 659 CA THR A 46 115.197 7.806 1.013 1.00 0.00 C ATOM 660 C THR A 46 116.304 8.585 0.313 1.00 0.00 C ATOM 661 O THR A 46 117.124 9.238 0.961 1.00 0.00 O ATOM 662 CB THR A 46 113.988 8.720 1.224 1.00 0.00 C ATOM 663 OG1 THR A 46 113.003 8.030 1.978 1.00 0.00 O ATOM 664 CG2 THR A 46 113.408 9.121 -0.133 1.00 0.00 C ATOM 0 H THR A 46 115.682 7.969 3.051 1.00 0.00 H new ATOM 0 HA THR A 46 114.913 6.961 0.386 1.00 0.00 H new ATOM 0 HB THR A 46 114.297 9.616 1.763 1.00 0.00 H new ATOM 0 HG1 THR A 46 112.132 8.461 1.851 1.00 0.00 H new ATOM 0 HG21 THR A 46 112.547 9.772 0.017 1.00 0.00 H new ATOM 0 HG22 THR A 46 114.166 9.650 -0.711 1.00 0.00 H new ATOM 0 HG23 THR A 46 113.097 8.227 -0.674 1.00 0.00 H new ATOM 672 N GLU A 47 116.324 8.511 -1.016 1.00 0.00 N ATOM 673 CA GLU A 47 117.360 9.176 -1.791 1.00 0.00 C ATOM 674 C GLU A 47 116.781 9.743 -3.082 1.00 0.00 C ATOM 675 O GLU A 47 115.841 9.184 -3.650 1.00 0.00 O ATOM 676 CB GLU A 47 118.479 8.183 -2.119 1.00 0.00 C ATOM 677 CG GLU A 47 119.658 8.924 -2.762 1.00 0.00 C ATOM 678 CD GLU A 47 120.774 7.962 -3.187 1.00 0.00 C ATOM 679 OE1 GLU A 47 120.626 6.760 -3.020 1.00 0.00 O ATOM 680 OE2 GLU A 47 121.775 8.450 -3.685 1.00 0.00 O ATOM 0 H GLU A 47 115.638 8.000 -1.572 1.00 0.00 H new ATOM 0 HA GLU A 47 117.765 9.997 -1.199 1.00 0.00 H new ATOM 0 HB2 GLU A 47 118.807 7.677 -1.211 1.00 0.00 H new ATOM 0 HB3 GLU A 47 118.108 7.413 -2.796 1.00 0.00 H new ATOM 0 HG2 GLU A 47 119.307 9.480 -3.632 1.00 0.00 H new ATOM 0 HG3 GLU A 47 120.056 9.654 -2.057 1.00 0.00 H new ATOM 687 N LYS A 48 117.328 10.876 -3.514 1.00 0.00 N ATOM 688 CA LYS A 48 116.944 11.474 -4.787 1.00 0.00 C ATOM 689 C LYS A 48 118.189 11.958 -5.522 1.00 0.00 C ATOM 690 O LYS A 48 119.083 12.551 -4.918 1.00 0.00 O ATOM 691 CB LYS A 48 115.986 12.646 -4.558 1.00 0.00 C ATOM 692 CG LYS A 48 115.504 13.205 -5.901 1.00 0.00 C ATOM 693 CD LYS A 48 114.469 12.260 -6.522 1.00 0.00 C ATOM 694 CE LYS A 48 113.960 12.833 -7.849 1.00 0.00 C ATOM 695 NZ LYS A 48 114.799 12.310 -8.964 1.00 0.00 N ATOM 0 H LYS A 48 118.038 11.398 -3.001 1.00 0.00 H new ATOM 0 HA LYS A 48 116.436 10.722 -5.391 1.00 0.00 H new ATOM 0 HB2 LYS A 48 115.132 12.317 -3.965 1.00 0.00 H new ATOM 0 HB3 LYS A 48 116.487 13.429 -3.989 1.00 0.00 H new ATOM 0 HG2 LYS A 48 115.066 14.193 -5.757 1.00 0.00 H new ATOM 0 HG3 LYS A 48 116.350 13.327 -6.578 1.00 0.00 H new ATOM 0 HD2 LYS A 48 114.914 11.279 -6.688 1.00 0.00 H new ATOM 0 HD3 LYS A 48 113.635 12.119 -5.834 1.00 0.00 H new ATOM 0 HE2 LYS A 48 112.917 12.556 -8.002 1.00 0.00 H new ATOM 0 HE3 LYS A 48 114.000 13.922 -7.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 114.457 12.697 -9.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 115.788 12.596 -8.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 114.738 11.272 -8.987 1.00 0.00 H new ATOM 709 N SER A 49 118.245 11.700 -6.824 1.00 0.00 N ATOM 710 CA SER A 49 119.395 12.108 -7.618 1.00 0.00 C ATOM 711 C SER A 49 119.494 13.630 -7.676 1.00 0.00 C ATOM 712 O SER A 49 118.500 14.335 -7.498 1.00 0.00 O ATOM 713 CB SER A 49 119.274 11.550 -9.038 1.00 0.00 C ATOM 714 OG SER A 49 118.289 12.289 -9.747 1.00 0.00 O ATOM 0 H SER A 49 117.515 11.215 -7.346 1.00 0.00 H new ATOM 0 HA SER A 49 120.295 11.713 -7.147 1.00 0.00 H new ATOM 0 HB2 SER A 49 120.234 11.615 -9.550 1.00 0.00 H new ATOM 0 HB3 SER A 49 119.001 10.495 -9.005 1.00 0.00 H new ATOM 0 HG SER A 49 118.209 11.937 -10.658 1.00 0.00 H new ATOM 720 N ARG A 50 120.700 14.127 -7.925 1.00 0.00 N ATOM 721 CA ARG A 50 120.924 15.563 -8.021 1.00 0.00 C ATOM 722 C ARG A 50 120.024 16.178 -9.089 1.00 0.00 C ATOM 723 O ARG A 50 119.692 15.535 -10.084 1.00 0.00 O ATOM 724 CB ARG A 50 122.389 15.837 -8.369 1.00 0.00 C ATOM 725 CG ARG A 50 123.289 15.302 -7.254 1.00 0.00 C ATOM 726 CD ARG A 50 124.752 15.603 -7.588 1.00 0.00 C ATOM 727 NE ARG A 50 125.006 17.045 -7.498 1.00 0.00 N ATOM 728 CZ ARG A 50 126.091 17.638 -8.019 1.00 0.00 C ATOM 729 NH1 ARG A 50 127.018 16.966 -8.658 1.00 0.00 N ATOM 730 NH2 ARG A 50 126.227 18.930 -7.887 1.00 0.00 N ATOM 0 H ARG A 50 121.535 13.558 -8.064 1.00 0.00 H new ATOM 0 HA ARG A 50 120.685 16.015 -7.058 1.00 0.00 H new ATOM 0 HB2 ARG A 50 122.644 15.361 -9.316 1.00 0.00 H new ATOM 0 HB3 ARG A 50 122.549 16.908 -8.497 1.00 0.00 H new ATOM 0 HG2 ARG A 50 123.020 15.762 -6.303 1.00 0.00 H new ATOM 0 HG3 ARG A 50 123.145 14.228 -7.140 1.00 0.00 H new ATOM 0 HD2 ARG A 50 125.407 15.067 -6.901 1.00 0.00 H new ATOM 0 HD3 ARG A 50 124.984 15.247 -8.592 1.00 0.00 H new ATOM 0 HE ARG A 50 124.322 17.627 -7.014 1.00 0.00 H new ATOM 0 HH11 ARG A 50 126.928 15.956 -8.773 1.00 0.00 H new ATOM 0 HH12 ARG A 50 127.829 17.453 -9.040 1.00 0.00 H new ATOM 0 HH21 ARG A 50 125.515 19.470 -7.395 1.00 0.00 H new ATOM 0 HH22 ARG A 50 127.045 19.399 -8.276 1.00 0.00 H new ATOM 744 N THR A 51 119.633 17.430 -8.869 1.00 0.00 N ATOM 745 CA THR A 51 118.769 18.141 -9.809 1.00 0.00 C ATOM 746 C THR A 51 119.536 19.280 -10.472 1.00 0.00 C ATOM 747 O THR A 51 120.695 19.531 -10.144 1.00 0.00 O ATOM 748 CB THR A 51 117.547 18.704 -9.078 1.00 0.00 C ATOM 749 OG1 THR A 51 117.972 19.658 -8.115 1.00 0.00 O ATOM 750 CG2 THR A 51 116.790 17.573 -8.382 1.00 0.00 C ATOM 0 H THR A 51 119.900 17.974 -8.048 1.00 0.00 H new ATOM 0 HA THR A 51 118.438 17.440 -10.575 1.00 0.00 H new ATOM 0 HB THR A 51 116.885 19.183 -9.799 1.00 0.00 H new ATOM 0 HG1 THR A 51 118.297 19.193 -7.316 1.00 0.00 H new ATOM 0 HG21 THR A 51 115.922 17.981 -7.864 1.00 0.00 H new ATOM 0 HG22 THR A 51 116.461 16.845 -9.124 1.00 0.00 H new ATOM 0 HG23 THR A 51 117.446 17.085 -7.661 1.00 0.00 H new ATOM 758 N ALA A 52 118.884 19.965 -11.405 1.00 0.00 N ATOM 759 CA ALA A 52 119.528 21.067 -12.114 1.00 0.00 C ATOM 760 C ALA A 52 119.999 22.128 -11.126 1.00 0.00 C ATOM 761 O ALA A 52 119.370 22.344 -10.093 1.00 0.00 O ATOM 762 CB ALA A 52 118.548 21.691 -13.109 1.00 0.00 C ATOM 0 H ALA A 52 117.921 19.781 -11.686 1.00 0.00 H new ATOM 0 HA ALA A 52 120.391 20.677 -12.654 1.00 0.00 H new ATOM 0 HB1 ALA A 52 119.036 22.512 -13.634 1.00 0.00 H new ATOM 0 HB2 ALA A 52 118.232 20.937 -13.830 1.00 0.00 H new ATOM 0 HB3 ALA A 52 117.677 22.069 -12.574 1.00 0.00 H new ATOM 768 N SER A 53 121.112 22.779 -11.459 1.00 0.00 N ATOM 769 CA SER A 53 121.719 23.769 -10.573 1.00 0.00 C ATOM 770 C SER A 53 122.169 23.117 -9.268 1.00 0.00 C ATOM 771 O SER A 53 121.418 22.368 -8.642 1.00 0.00 O ATOM 772 CB SER A 53 120.742 24.922 -10.304 1.00 0.00 C ATOM 773 OG SER A 53 119.896 24.614 -9.200 1.00 0.00 O ATOM 0 H SER A 53 121.612 22.638 -12.337 1.00 0.00 H new ATOM 0 HA SER A 53 122.600 24.180 -11.066 1.00 0.00 H new ATOM 0 HB2 SER A 53 121.298 25.837 -10.099 1.00 0.00 H new ATOM 0 HB3 SER A 53 120.138 25.108 -11.192 1.00 0.00 H new ATOM 0 HG SER A 53 119.262 23.914 -9.459 1.00 0.00 H new ATOM 779 N SER A 54 123.401 23.407 -8.861 1.00 0.00 N ATOM 780 CA SER A 54 123.957 22.812 -7.647 1.00 0.00 C ATOM 781 C SER A 54 123.498 23.524 -6.366 1.00 0.00 C ATOM 782 O SER A 54 124.065 23.291 -5.298 1.00 0.00 O ATOM 783 CB SER A 54 125.484 22.843 -7.715 1.00 0.00 C ATOM 784 OG SER A 54 125.920 22.000 -8.774 1.00 0.00 O ATOM 0 H SER A 54 124.030 24.045 -9.348 1.00 0.00 H new ATOM 0 HA SER A 54 123.589 21.787 -7.600 1.00 0.00 H new ATOM 0 HB2 SER A 54 125.832 23.863 -7.878 1.00 0.00 H new ATOM 0 HB3 SER A 54 125.909 22.509 -6.769 1.00 0.00 H new ATOM 0 HG SER A 54 126.899 22.017 -8.824 1.00 0.00 H new ATOM 790 N GLY A 55 122.484 24.385 -6.459 1.00 0.00 N ATOM 791 CA GLY A 55 121.990 25.103 -5.289 1.00 0.00 C ATOM 792 C GLY A 55 121.254 24.172 -4.330 1.00 0.00 C ATOM 793 O GLY A 55 121.340 24.333 -3.112 1.00 0.00 O ATOM 0 H GLY A 55 121.993 24.600 -7.327 1.00 0.00 H new ATOM 0 HA2 GLY A 55 122.825 25.574 -4.771 1.00 0.00 H new ATOM 0 HA3 GLY A 55 121.321 25.902 -5.607 1.00 0.00 H new ATOM 797 N ASP A 56 120.531 23.198 -4.880 1.00 0.00 N ATOM 798 CA ASP A 56 119.771 22.269 -4.050 1.00 0.00 C ATOM 799 C ASP A 56 119.758 20.871 -4.661 1.00 0.00 C ATOM 800 O ASP A 56 118.943 20.574 -5.535 1.00 0.00 O ATOM 801 CB ASP A 56 118.334 22.770 -3.891 1.00 0.00 C ATOM 802 CG ASP A 56 118.335 24.178 -3.308 1.00 0.00 C ATOM 803 OD1 ASP A 56 118.302 24.296 -2.094 1.00 0.00 O ATOM 804 OD2 ASP A 56 118.368 25.121 -4.083 1.00 0.00 O ATOM 0 H ASP A 56 120.456 23.034 -5.884 1.00 0.00 H new ATOM 0 HA ASP A 56 120.253 22.215 -3.074 1.00 0.00 H new ATOM 0 HB2 ASP A 56 117.830 22.768 -4.858 1.00 0.00 H new ATOM 0 HB3 ASP A 56 117.776 22.098 -3.239 1.00 0.00 H new ATOM 809 N TYR A 57 120.666 20.016 -4.196 1.00 0.00 N ATOM 810 CA TYR A 57 120.720 18.632 -4.658 1.00 0.00 C ATOM 811 C TYR A 57 120.852 17.678 -3.471 1.00 0.00 C ATOM 812 O TYR A 57 121.610 17.940 -2.536 1.00 0.00 O ATOM 813 CB TYR A 57 121.893 18.461 -5.626 1.00 0.00 C ATOM 814 CG TYR A 57 123.251 18.596 -4.978 1.00 0.00 C ATOM 815 CD1 TYR A 57 123.870 19.850 -4.898 1.00 0.00 C ATOM 816 CD2 TYR A 57 123.891 17.467 -4.455 1.00 0.00 C ATOM 817 CE1 TYR A 57 125.129 19.973 -4.300 1.00 0.00 C ATOM 818 CE2 TYR A 57 125.149 17.590 -3.854 1.00 0.00 C ATOM 819 CZ TYR A 57 125.769 18.842 -3.776 1.00 0.00 C ATOM 820 OH TYR A 57 127.009 18.964 -3.185 1.00 0.00 O ATOM 0 H TYR A 57 121.373 20.257 -3.501 1.00 0.00 H new ATOM 0 HA TYR A 57 119.794 18.391 -5.181 1.00 0.00 H new ATOM 0 HB2 TYR A 57 121.822 17.480 -6.096 1.00 0.00 H new ATOM 0 HB3 TYR A 57 121.806 19.202 -6.420 1.00 0.00 H new ATOM 0 HD1 TYR A 57 123.375 20.723 -5.298 1.00 0.00 H new ATOM 0 HD2 TYR A 57 123.414 16.500 -4.515 1.00 0.00 H new ATOM 0 HE1 TYR A 57 125.607 20.940 -4.242 1.00 0.00 H new ATOM 0 HE2 TYR A 57 125.642 16.718 -3.450 1.00 0.00 H new ATOM 0 HH TYR A 57 127.311 18.085 -2.873 1.00 0.00 H new ATOM 830 N ASN A 58 120.100 16.576 -3.523 1.00 0.00 N ATOM 831 CA ASN A 58 120.013 15.598 -2.428 1.00 0.00 C ATOM 832 C ASN A 58 120.087 16.229 -1.032 1.00 0.00 C ATOM 833 O ASN A 58 120.590 15.613 -0.093 1.00 0.00 O ATOM 834 CB ASN A 58 121.093 14.518 -2.576 1.00 0.00 C ATOM 835 CG ASN A 58 122.501 15.088 -2.412 1.00 0.00 C ATOM 836 OD1 ASN A 58 122.749 15.933 -1.552 1.00 0.00 O ATOM 837 ND2 ASN A 58 123.457 14.651 -3.184 1.00 0.00 N ATOM 0 H ASN A 58 119.528 16.332 -4.332 1.00 0.00 H new ATOM 0 HA ASN A 58 119.025 15.144 -2.512 1.00 0.00 H new ATOM 0 HB2 ASN A 58 120.929 13.738 -1.833 1.00 0.00 H new ATOM 0 HB3 ASN A 58 121.004 14.049 -3.556 1.00 0.00 H new ATOM 0 HD21 ASN A 58 124.406 15.009 -3.074 1.00 0.00 H new ATOM 0 HD22 ASN A 58 123.256 13.951 -3.898 1.00 0.00 H new ATOM 844 N LYS A 59 119.585 17.453 -0.904 1.00 0.00 N ATOM 845 CA LYS A 59 119.599 18.142 0.383 1.00 0.00 C ATOM 846 C LYS A 59 118.689 17.458 1.401 1.00 0.00 C ATOM 847 O LYS A 59 119.007 17.412 2.590 1.00 0.00 O ATOM 848 CB LYS A 59 119.157 19.599 0.209 1.00 0.00 C ATOM 849 CG LYS A 59 120.091 20.327 -0.761 1.00 0.00 C ATOM 850 CD LYS A 59 121.497 20.416 -0.161 1.00 0.00 C ATOM 851 CE LYS A 59 122.356 21.363 -1.001 1.00 0.00 C ATOM 852 NZ LYS A 59 121.848 22.757 -0.855 1.00 0.00 N ATOM 0 H LYS A 59 119.167 17.985 -1.667 1.00 0.00 H new ATOM 0 HA LYS A 59 120.622 18.107 0.759 1.00 0.00 H new ATOM 0 HB2 LYS A 59 118.134 19.633 -0.166 1.00 0.00 H new ATOM 0 HB3 LYS A 59 119.159 20.104 1.175 1.00 0.00 H new ATOM 0 HG2 LYS A 59 120.125 19.798 -1.713 1.00 0.00 H new ATOM 0 HG3 LYS A 59 119.709 21.327 -0.966 1.00 0.00 H new ATOM 0 HD2 LYS A 59 121.442 20.774 0.867 1.00 0.00 H new ATOM 0 HD3 LYS A 59 121.953 19.427 -0.130 1.00 0.00 H new ATOM 0 HE2 LYS A 59 123.396 21.308 -0.680 1.00 0.00 H new ATOM 0 HE3 LYS A 59 122.329 21.063 -2.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 121.627 23.146 -1.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 120.988 22.754 -0.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 122.574 23.345 -0.398 1.00 0.00 H new ATOM 866 N ASN A 60 117.561 16.929 0.937 1.00 0.00 N ATOM 867 CA ASN A 60 116.573 16.354 1.846 1.00 0.00 C ATOM 868 C ASN A 60 116.720 14.840 1.945 1.00 0.00 C ATOM 869 O ASN A 60 116.777 14.142 0.931 1.00 0.00 O ATOM 870 CB ASN A 60 115.162 16.701 1.365 1.00 0.00 C ATOM 871 CG ASN A 60 114.927 16.129 -0.030 1.00 0.00 C ATOM 872 OD1 ASN A 60 114.665 14.936 -0.175 1.00 0.00 O ATOM 873 ND2 ASN A 60 115.009 16.914 -1.069 1.00 0.00 N ATOM 0 H ASN A 60 117.309 16.886 -0.051 1.00 0.00 H new ATOM 0 HA ASN A 60 116.742 16.777 2.836 1.00 0.00 H new ATOM 0 HB2 ASN A 60 114.424 16.300 2.060 1.00 0.00 H new ATOM 0 HB3 ASN A 60 115.031 17.783 1.350 1.00 0.00 H new ATOM 0 HD21 ASN A 60 114.856 16.539 -2.005 1.00 0.00 H new ATOM 0 HD22 ASN A 60 115.226 17.903 -0.945 1.00 0.00 H new ATOM 880 N GLN A 61 116.781 14.337 3.177 1.00 0.00 N ATOM 881 CA GLN A 61 116.866 12.899 3.414 1.00 0.00 C ATOM 882 C GLN A 61 115.752 12.474 4.364 1.00 0.00 C ATOM 883 O GLN A 61 115.348 13.250 5.227 1.00 0.00 O ATOM 884 CB GLN A 61 118.225 12.552 4.026 1.00 0.00 C ATOM 885 CG GLN A 61 119.336 12.900 3.033 1.00 0.00 C ATOM 886 CD GLN A 61 120.710 12.651 3.652 1.00 0.00 C ATOM 887 OE1 GLN A 61 120.839 12.535 4.871 1.00 0.00 O ATOM 888 NE2 GLN A 61 121.754 12.562 2.876 1.00 0.00 N ATOM 0 H GLN A 61 116.773 14.904 4.025 1.00 0.00 H new ATOM 0 HA GLN A 61 116.757 12.371 2.467 1.00 0.00 H new ATOM 0 HB2 GLN A 61 118.368 13.103 4.956 1.00 0.00 H new ATOM 0 HB3 GLN A 61 118.264 11.491 4.274 1.00 0.00 H new ATOM 0 HG2 GLN A 61 119.224 12.300 2.130 1.00 0.00 H new ATOM 0 HG3 GLN A 61 119.250 13.945 2.735 1.00 0.00 H new ATOM 0 HE21 GLN A 61 121.648 12.658 1.866 1.00 0.00 H new ATOM 0 HE22 GLN A 61 122.676 12.396 3.279 1.00 0.00 H new ATOM 897 N TYR A 62 115.254 11.249 4.202 1.00 0.00 N ATOM 898 CA TYR A 62 114.186 10.746 5.065 1.00 0.00 C ATOM 899 C TYR A 62 114.613 9.451 5.748 1.00 0.00 C ATOM 900 O TYR A 62 115.226 8.580 5.130 1.00 0.00 O ATOM 901 CB TYR A 62 112.923 10.495 4.241 1.00 0.00 C ATOM 902 CG TYR A 62 112.403 11.732 3.547 1.00 0.00 C ATOM 903 CD1 TYR A 62 111.481 12.562 4.194 1.00 0.00 C ATOM 904 CD2 TYR A 62 112.843 12.047 2.255 1.00 0.00 C ATOM 905 CE1 TYR A 62 111.000 13.710 3.551 1.00 0.00 C ATOM 906 CE2 TYR A 62 112.361 13.193 1.612 1.00 0.00 C ATOM 907 CZ TYR A 62 111.439 14.025 2.260 1.00 0.00 C ATOM 908 OH TYR A 62 110.964 15.154 1.626 1.00 0.00 O ATOM 0 H TYR A 62 115.569 10.592 3.488 1.00 0.00 H new ATOM 0 HA TYR A 62 113.980 11.496 5.828 1.00 0.00 H new ATOM 0 HB2 TYR A 62 113.132 9.729 3.494 1.00 0.00 H new ATOM 0 HB3 TYR A 62 112.145 10.100 4.894 1.00 0.00 H new ATOM 0 HD1 TYR A 62 111.140 12.318 5.189 1.00 0.00 H new ATOM 0 HD2 TYR A 62 113.554 11.406 1.755 1.00 0.00 H new ATOM 0 HE1 TYR A 62 110.290 14.352 4.052 1.00 0.00 H new ATOM 0 HE2 TYR A 62 112.700 13.436 0.616 1.00 0.00 H new ATOM 0 HH TYR A 62 111.371 15.226 0.737 1.00 0.00 H new ATOM 918 N TYR A 63 114.280 9.335 7.030 1.00 0.00 N ATOM 919 CA TYR A 63 114.603 8.137 7.798 1.00 0.00 C ATOM 920 C TYR A 63 113.337 7.611 8.459 1.00 0.00 C ATOM 921 O TYR A 63 112.557 8.391 9.002 1.00 0.00 O ATOM 922 CB TYR A 63 115.637 8.468 8.875 1.00 0.00 C ATOM 923 CG TYR A 63 116.893 9.110 8.336 1.00 0.00 C ATOM 924 CD1 TYR A 63 117.967 8.314 7.923 1.00 0.00 C ATOM 925 CD2 TYR A 63 116.984 10.504 8.252 1.00 0.00 C ATOM 926 CE1 TYR A 63 119.132 8.911 7.426 1.00 0.00 C ATOM 927 CE2 TYR A 63 118.148 11.103 7.755 1.00 0.00 C ATOM 928 CZ TYR A 63 119.222 10.305 7.343 1.00 0.00 C ATOM 929 OH TYR A 63 120.370 10.896 6.853 1.00 0.00 O ATOM 0 H TYR A 63 113.787 10.055 7.558 1.00 0.00 H new ATOM 0 HA TYR A 63 115.015 7.381 7.129 1.00 0.00 H new ATOM 0 HB2 TYR A 63 115.184 9.136 9.607 1.00 0.00 H new ATOM 0 HB3 TYR A 63 115.905 7.552 9.402 1.00 0.00 H new ATOM 0 HD1 TYR A 63 117.897 7.238 7.988 1.00 0.00 H new ATOM 0 HD2 TYR A 63 116.155 11.119 8.571 1.00 0.00 H new ATOM 0 HE1 TYR A 63 119.961 8.296 7.107 1.00 0.00 H new ATOM 0 HE2 TYR A 63 118.217 12.179 7.690 1.00 0.00 H new ATOM 0 HH TYR A 63 120.165 11.367 6.019 1.00 0.00 H new ATOM 939 N GLY A 64 113.122 6.298 8.403 1.00 0.00 N ATOM 940 CA GLY A 64 111.935 5.708 9.017 1.00 0.00 C ATOM 941 C GLY A 64 112.270 4.422 9.761 1.00 0.00 C ATOM 942 O GLY A 64 113.011 3.581 9.255 1.00 0.00 O ATOM 0 H GLY A 64 113.744 5.631 7.946 1.00 0.00 H new ATOM 0 HA2 GLY A 64 111.488 6.423 9.708 1.00 0.00 H new ATOM 0 HA3 GLY A 64 111.191 5.501 8.248 1.00 0.00 H new ATOM 946 N ILE A 65 111.723 4.284 10.968 1.00 0.00 N ATOM 947 CA ILE A 65 111.887 3.062 11.749 1.00 0.00 C ATOM 948 C ILE A 65 110.512 2.507 12.099 1.00 0.00 C ATOM 949 O ILE A 65 109.715 3.189 12.739 1.00 0.00 O ATOM 950 CB ILE A 65 112.676 3.354 13.032 1.00 0.00 C ATOM 951 CG1 ILE A 65 114.029 3.975 12.675 1.00 0.00 C ATOM 952 CG2 ILE A 65 112.908 2.051 13.803 1.00 0.00 C ATOM 953 CD1 ILE A 65 114.744 4.418 13.953 1.00 0.00 C ATOM 0 H ILE A 65 111.163 5.004 11.425 1.00 0.00 H new ATOM 0 HA ILE A 65 112.440 2.329 11.162 1.00 0.00 H new ATOM 0 HB ILE A 65 112.107 4.048 13.650 1.00 0.00 H new ATOM 0 HG12 ILE A 65 114.641 3.252 12.136 1.00 0.00 H new ATOM 0 HG13 ILE A 65 113.885 4.828 12.012 1.00 0.00 H new ATOM 0 HG21 ILE A 65 113.469 2.262 14.714 1.00 0.00 H new ATOM 0 HG22 ILE A 65 111.947 1.606 14.063 1.00 0.00 H new ATOM 0 HG23 ILE A 65 113.473 1.356 13.182 1.00 0.00 H new ATOM 0 HD11 ILE A 65 115.707 4.860 13.697 1.00 0.00 H new ATOM 0 HD12 ILE A 65 114.134 5.155 14.474 1.00 0.00 H new ATOM 0 HD13 ILE A 65 114.901 3.555 14.600 1.00 0.00 H new ATOM 965 N THR A 66 110.225 1.288 11.647 1.00 0.00 N ATOM 966 CA THR A 66 108.903 0.692 11.859 1.00 0.00 C ATOM 967 C THR A 66 109.029 -0.643 12.589 1.00 0.00 C ATOM 968 O THR A 66 110.051 -1.318 12.476 1.00 0.00 O ATOM 969 CB THR A 66 108.187 0.470 10.516 1.00 0.00 C ATOM 970 OG1 THR A 66 108.791 -0.625 9.842 1.00 0.00 O ATOM 971 CG2 THR A 66 108.247 1.712 9.609 1.00 0.00 C ATOM 0 H THR A 66 110.881 0.697 11.136 1.00 0.00 H new ATOM 0 HA THR A 66 108.318 1.382 12.467 1.00 0.00 H new ATOM 0 HB THR A 66 107.138 0.266 10.731 1.00 0.00 H new ATOM 0 HG1 THR A 66 108.338 -0.772 8.986 1.00 0.00 H new ATOM 0 HG21 THR A 66 107.728 1.505 8.673 1.00 0.00 H new ATOM 0 HG22 THR A 66 107.768 2.553 10.111 1.00 0.00 H new ATOM 0 HG23 THR A 66 109.288 1.959 9.399 1.00 0.00 H new ATOM 979 N ALA A 67 107.980 -1.028 13.311 1.00 0.00 N ATOM 980 CA ALA A 67 107.954 -2.317 13.993 1.00 0.00 C ATOM 981 C ALA A 67 106.529 -2.856 13.996 1.00 0.00 C ATOM 982 O ALA A 67 105.583 -2.068 14.044 1.00 0.00 O ATOM 983 CB ALA A 67 108.454 -2.164 15.432 1.00 0.00 C ATOM 0 H ALA A 67 107.138 -0.466 13.438 1.00 0.00 H new ATOM 0 HA ALA A 67 108.608 -3.014 13.468 1.00 0.00 H new ATOM 0 HB1 ALA A 67 108.430 -3.133 15.931 1.00 0.00 H new ATOM 0 HB2 ALA A 67 109.476 -1.786 15.424 1.00 0.00 H new ATOM 0 HB3 ALA A 67 107.812 -1.464 15.968 1.00 0.00 H new ATOM 989 N GLY A 68 106.366 -4.180 13.912 1.00 0.00 N ATOM 990 CA GLY A 68 105.020 -4.747 13.882 1.00 0.00 C ATOM 991 C GLY A 68 105.006 -6.264 14.078 1.00 0.00 C ATOM 992 O GLY A 68 106.055 -6.904 14.015 1.00 0.00 O ATOM 0 H GLY A 68 107.126 -4.859 13.865 1.00 0.00 H new ATOM 0 HA2 GLY A 68 104.418 -4.280 14.661 1.00 0.00 H new ATOM 0 HA3 GLY A 68 104.551 -4.505 12.928 1.00 0.00 H new ATOM 996 N PRO A 69 103.852 -6.851 14.322 1.00 0.00 N ATOM 997 CA PRO A 69 103.721 -8.327 14.437 1.00 0.00 C ATOM 998 C PRO A 69 103.249 -8.984 13.140 1.00 0.00 C ATOM 999 O PRO A 69 102.271 -8.548 12.524 1.00 0.00 O ATOM 1000 CB PRO A 69 102.671 -8.481 15.536 1.00 0.00 C ATOM 1001 CG PRO A 69 101.791 -7.275 15.424 1.00 0.00 C ATOM 1002 CD PRO A 69 102.540 -6.229 14.591 1.00 0.00 C ATOM 0 HA PRO A 69 104.673 -8.812 14.654 1.00 0.00 H new ATOM 0 HB2 PRO A 69 102.097 -9.398 15.404 1.00 0.00 H new ATOM 0 HB3 PRO A 69 103.138 -8.536 16.519 1.00 0.00 H new ATOM 0 HG2 PRO A 69 100.844 -7.535 14.951 1.00 0.00 H new ATOM 0 HG3 PRO A 69 101.555 -6.880 16.412 1.00 0.00 H new ATOM 0 HD2 PRO A 69 102.010 -6.002 13.666 1.00 0.00 H new ATOM 0 HD3 PRO A 69 102.648 -5.290 15.134 1.00 0.00 H new ATOM 1010 N ALA A 70 104.041 -9.942 12.664 1.00 0.00 N ATOM 1011 CA ALA A 70 103.643 -10.807 11.561 1.00 0.00 C ATOM 1012 C ALA A 70 102.739 -11.935 12.056 1.00 0.00 C ATOM 1013 O ALA A 70 102.977 -12.488 13.133 1.00 0.00 O ATOM 1014 CB ALA A 70 104.883 -11.404 10.893 1.00 0.00 C ATOM 0 H ALA A 70 104.972 -10.138 13.031 1.00 0.00 H new ATOM 0 HA ALA A 70 103.091 -10.207 10.838 1.00 0.00 H new ATOM 0 HB1 ALA A 70 104.577 -12.049 10.069 1.00 0.00 H new ATOM 0 HB2 ALA A 70 105.512 -10.601 10.510 1.00 0.00 H new ATOM 0 HB3 ALA A 70 105.444 -11.988 11.623 1.00 0.00 H new ATOM 1020 N TYR A 71 101.736 -12.294 11.258 1.00 0.00 N ATOM 1021 CA TYR A 71 100.919 -13.471 11.532 1.00 0.00 C ATOM 1022 C TYR A 71 101.135 -14.474 10.407 1.00 0.00 C ATOM 1023 O TYR A 71 100.903 -14.148 9.242 1.00 0.00 O ATOM 1024 CB TYR A 71 99.439 -13.087 11.591 1.00 0.00 C ATOM 1025 CG TYR A 71 99.122 -12.038 12.630 1.00 0.00 C ATOM 1026 CD1 TYR A 71 99.206 -10.679 12.298 1.00 0.00 C ATOM 1027 CD2 TYR A 71 98.734 -12.421 13.919 1.00 0.00 C ATOM 1028 CE1 TYR A 71 98.905 -9.705 13.258 1.00 0.00 C ATOM 1029 CE2 TYR A 71 98.432 -11.447 14.878 1.00 0.00 C ATOM 1030 CZ TYR A 71 98.517 -10.088 14.548 1.00 0.00 C ATOM 1031 OH TYR A 71 98.220 -9.128 15.494 1.00 0.00 O ATOM 0 H TYR A 71 101.470 -11.785 10.415 1.00 0.00 H new ATOM 0 HA TYR A 71 101.206 -13.902 12.491 1.00 0.00 H new ATOM 0 HB2 TYR A 71 99.129 -12.721 10.612 1.00 0.00 H new ATOM 0 HB3 TYR A 71 98.850 -13.980 11.798 1.00 0.00 H new ATOM 0 HD1 TYR A 71 99.503 -10.383 11.303 1.00 0.00 H new ATOM 0 HD2 TYR A 71 98.668 -13.468 14.174 1.00 0.00 H new ATOM 0 HE1 TYR A 71 98.972 -8.658 13.003 1.00 0.00 H new ATOM 0 HE2 TYR A 71 98.133 -11.743 15.873 1.00 0.00 H new ATOM 0 HH TYR A 71 97.968 -9.564 16.335 1.00 0.00 H new ATOM 1041 N ARG A 72 101.546 -15.693 10.747 1.00 0.00 N ATOM 1042 CA ARG A 72 101.973 -16.641 9.724 1.00 0.00 C ATOM 1043 C ARG A 72 100.846 -17.585 9.316 1.00 0.00 C ATOM 1044 O ARG A 72 100.444 -18.468 10.074 1.00 0.00 O ATOM 1045 CB ARG A 72 103.158 -17.457 10.244 1.00 0.00 C ATOM 1046 CG ARG A 72 103.725 -18.322 9.115 1.00 0.00 C ATOM 1047 CD ARG A 72 104.870 -19.181 9.652 1.00 0.00 C ATOM 1048 NE ARG A 72 105.503 -19.924 8.557 1.00 0.00 N ATOM 1049 CZ ARG A 72 106.140 -21.093 8.726 1.00 0.00 C ATOM 1050 NH1 ARG A 72 106.247 -21.667 9.899 1.00 0.00 N ATOM 1051 NH2 ARG A 72 106.671 -21.676 7.686 1.00 0.00 N ATOM 0 H ARG A 72 101.592 -16.042 11.704 1.00 0.00 H new ATOM 0 HA ARG A 72 102.265 -16.069 8.843 1.00 0.00 H new ATOM 0 HB2 ARG A 72 103.931 -16.790 10.627 1.00 0.00 H new ATOM 0 HB3 ARG A 72 102.841 -18.088 11.074 1.00 0.00 H new ATOM 0 HG2 ARG A 72 102.942 -18.958 8.703 1.00 0.00 H new ATOM 0 HG3 ARG A 72 104.082 -17.689 8.303 1.00 0.00 H new ATOM 0 HD2 ARG A 72 105.608 -18.549 10.146 1.00 0.00 H new ATOM 0 HD3 ARG A 72 104.492 -19.876 10.402 1.00 0.00 H new ATOM 0 HE ARG A 72 105.457 -19.531 7.617 1.00 0.00 H new ATOM 0 HH11 ARG A 72 105.838 -21.225 10.722 1.00 0.00 H new ATOM 0 HH12 ARG A 72 106.739 -22.556 9.989 1.00 0.00 H new ATOM 0 HH21 ARG A 72 106.598 -21.243 6.766 1.00 0.00 H new ATOM 0 HH22 ARG A 72 107.159 -22.565 7.794 1.00 0.00 H new ATOM 1065 N ILE A 73 100.349 -17.373 8.103 1.00 0.00 N ATOM 1066 CA ILE A 73 99.411 -18.295 7.475 1.00 0.00 C ATOM 1067 C ILE A 73 100.177 -19.240 6.552 1.00 0.00 C ATOM 1068 O ILE A 73 100.994 -18.795 5.747 1.00 0.00 O ATOM 1069 CB ILE A 73 98.342 -17.522 6.696 1.00 0.00 C ATOM 1070 CG1 ILE A 73 97.608 -16.578 7.658 1.00 0.00 C ATOM 1071 CG2 ILE A 73 97.335 -18.498 6.081 1.00 0.00 C ATOM 1072 CD1 ILE A 73 96.563 -15.723 6.919 1.00 0.00 C ATOM 0 H ILE A 73 100.583 -16.562 7.530 1.00 0.00 H new ATOM 0 HA ILE A 73 98.906 -18.880 8.244 1.00 0.00 H new ATOM 0 HB ILE A 73 98.818 -16.950 5.899 1.00 0.00 H new ATOM 0 HG12 ILE A 73 97.118 -17.160 8.438 1.00 0.00 H new ATOM 0 HG13 ILE A 73 98.329 -15.927 8.152 1.00 0.00 H new ATOM 0 HG21 ILE A 73 96.578 -17.940 5.529 1.00 0.00 H new ATOM 0 HG22 ILE A 73 97.853 -19.176 5.403 1.00 0.00 H new ATOM 0 HG23 ILE A 73 96.856 -19.073 6.873 1.00 0.00 H new ATOM 0 HD11 ILE A 73 96.062 -15.066 7.630 1.00 0.00 H new ATOM 0 HD12 ILE A 73 97.058 -15.122 6.156 1.00 0.00 H new ATOM 0 HD13 ILE A 73 95.828 -16.375 6.447 1.00 0.00 H new ATOM 1084 N ASN A 74 99.916 -20.541 6.668 1.00 0.00 N ATOM 1085 CA ASN A 74 100.677 -21.524 5.901 1.00 0.00 C ATOM 1086 C ASN A 74 100.499 -21.310 4.398 1.00 0.00 C ATOM 1087 O ASN A 74 101.429 -21.532 3.624 1.00 0.00 O ATOM 1088 CB ASN A 74 100.217 -22.937 6.270 1.00 0.00 C ATOM 1089 CG ASN A 74 100.472 -23.199 7.751 1.00 0.00 C ATOM 1090 OD1 ASN A 74 99.597 -23.703 8.453 1.00 0.00 O ATOM 1091 ND2 ASN A 74 101.629 -22.885 8.270 1.00 0.00 N ATOM 0 H ASN A 74 99.196 -20.934 7.275 1.00 0.00 H new ATOM 0 HA ASN A 74 101.732 -21.400 6.145 1.00 0.00 H new ATOM 0 HB2 ASN A 74 99.156 -23.052 6.049 1.00 0.00 H new ATOM 0 HB3 ASN A 74 100.750 -23.671 5.665 1.00 0.00 H new ATOM 0 HD21 ASN A 74 101.808 -23.058 9.259 1.00 0.00 H new ATOM 0 HD22 ASN A 74 102.353 -22.467 7.686 1.00 0.00 H new ATOM 1098 N ASP A 75 99.310 -20.877 3.986 1.00 0.00 N ATOM 1099 CA ASP A 75 99.089 -20.501 2.594 1.00 0.00 C ATOM 1100 C ASP A 75 99.793 -19.178 2.303 1.00 0.00 C ATOM 1101 O ASP A 75 100.475 -18.631 3.168 1.00 0.00 O ATOM 1102 CB ASP A 75 97.590 -20.362 2.318 1.00 0.00 C ATOM 1103 CG ASP A 75 96.879 -21.676 2.621 1.00 0.00 C ATOM 1104 OD1 ASP A 75 96.770 -22.490 1.718 1.00 0.00 O ATOM 1105 OD2 ASP A 75 96.454 -21.849 3.751 1.00 0.00 O ATOM 0 H ASP A 75 98.493 -20.779 4.589 1.00 0.00 H new ATOM 0 HA ASP A 75 99.496 -21.278 1.947 1.00 0.00 H new ATOM 0 HB2 ASP A 75 97.172 -19.563 2.931 1.00 0.00 H new ATOM 0 HB3 ASP A 75 97.428 -20.083 1.277 1.00 0.00 H new ATOM 1110 N TRP A 76 99.631 -18.669 1.085 1.00 0.00 N ATOM 1111 CA TRP A 76 100.230 -17.388 0.720 1.00 0.00 C ATOM 1112 C TRP A 76 99.307 -16.233 1.114 1.00 0.00 C ATOM 1113 O TRP A 76 99.071 -15.307 0.336 1.00 0.00 O ATOM 1114 CB TRP A 76 100.518 -17.358 -0.786 1.00 0.00 C ATOM 1115 CG TRP A 76 99.287 -17.370 -1.638 1.00 0.00 C ATOM 1116 CD1 TRP A 76 98.507 -18.453 -1.863 1.00 0.00 C ATOM 1117 CD2 TRP A 76 98.687 -16.272 -2.386 1.00 0.00 C ATOM 1118 NE1 TRP A 76 97.465 -18.089 -2.697 1.00 0.00 N ATOM 1119 CE2 TRP A 76 97.533 -16.755 -3.046 1.00 0.00 C ATOM 1120 CE3 TRP A 76 99.027 -14.918 -2.550 1.00 0.00 C ATOM 1121 CZ2 TRP A 76 96.744 -15.922 -3.845 1.00 0.00 C ATOM 1122 CZ3 TRP A 76 98.240 -14.079 -3.351 1.00 0.00 C ATOM 1123 CH2 TRP A 76 97.100 -14.578 -3.997 1.00 0.00 C ATOM 0 H TRP A 76 99.096 -19.117 0.341 1.00 0.00 H new ATOM 0 HA TRP A 76 101.170 -17.271 1.260 1.00 0.00 H new ATOM 0 HB2 TRP A 76 101.100 -16.466 -1.017 1.00 0.00 H new ATOM 0 HB3 TRP A 76 101.136 -18.218 -1.045 1.00 0.00 H new ATOM 0 HD1 TRP A 76 98.671 -19.440 -1.458 1.00 0.00 H new ATOM 0 HE1 TRP A 76 96.736 -18.728 -3.015 1.00 0.00 H new ATOM 0 HE3 TRP A 76 99.901 -14.521 -2.055 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 95.868 -16.313 -4.340 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 98.514 -13.041 -3.471 1.00 0.00 H new ATOM 0 HH2 TRP A 76 96.497 -13.925 -4.611 1.00 0.00 H new ATOM 1134 N ALA A 77 98.791 -16.295 2.339 1.00 0.00 N ATOM 1135 CA ALA A 77 97.828 -15.308 2.827 1.00 0.00 C ATOM 1136 C ALA A 77 98.314 -14.602 4.096 1.00 0.00 C ATOM 1137 O ALA A 77 97.497 -14.056 4.838 1.00 0.00 O ATOM 1138 CB ALA A 77 96.494 -15.997 3.116 1.00 0.00 C ATOM 0 H ALA A 77 99.024 -17.022 3.016 1.00 0.00 H new ATOM 0 HA ALA A 77 97.711 -14.553 2.050 1.00 0.00 H new ATOM 0 HB1 ALA A 77 95.776 -15.262 3.480 1.00 0.00 H new ATOM 0 HB2 ALA A 77 96.115 -16.453 2.202 1.00 0.00 H new ATOM 0 HB3 ALA A 77 96.639 -16.768 3.873 1.00 0.00 H new ATOM 1144 N SER A 78 99.626 -14.582 4.346 1.00 0.00 N ATOM 1145 CA SER A 78 100.130 -14.120 5.633 1.00 0.00 C ATOM 1146 C SER A 78 99.899 -12.622 5.772 1.00 0.00 C ATOM 1147 O SER A 78 99.907 -11.892 4.781 1.00 0.00 O ATOM 1148 CB SER A 78 101.623 -14.424 5.749 1.00 0.00 C ATOM 1149 OG SER A 78 102.107 -13.934 6.993 1.00 0.00 O ATOM 0 H SER A 78 100.344 -14.876 3.684 1.00 0.00 H new ATOM 0 HA SER A 78 99.597 -14.640 6.429 1.00 0.00 H new ATOM 0 HB2 SER A 78 101.794 -15.498 5.677 1.00 0.00 H new ATOM 0 HB3 SER A 78 102.166 -13.959 4.926 1.00 0.00 H new ATOM 0 HG SER A 78 101.629 -14.374 7.726 1.00 0.00 H new ATOM 1155 N ILE A 79 99.706 -12.159 7.004 1.00 0.00 N ATOM 1156 CA ILE A 79 99.327 -10.768 7.230 1.00 0.00 C ATOM 1157 C ILE A 79 100.327 -10.112 8.170 1.00 0.00 C ATOM 1158 O ILE A 79 100.641 -10.648 9.228 1.00 0.00 O ATOM 1159 CB ILE A 79 97.919 -10.695 7.837 1.00 0.00 C ATOM 1160 CG1 ILE A 79 96.923 -11.408 6.916 1.00 0.00 C ATOM 1161 CG2 ILE A 79 97.492 -9.232 7.990 1.00 0.00 C ATOM 1162 CD1 ILE A 79 95.556 -11.488 7.599 1.00 0.00 C ATOM 0 H ILE A 79 99.804 -12.719 7.851 1.00 0.00 H new ATOM 0 HA ILE A 79 99.327 -10.241 6.276 1.00 0.00 H new ATOM 0 HB ILE A 79 97.931 -11.177 8.814 1.00 0.00 H new ATOM 0 HG12 ILE A 79 96.838 -10.871 5.971 1.00 0.00 H new ATOM 0 HG13 ILE A 79 97.282 -12.410 6.682 1.00 0.00 H new ATOM 0 HG21 ILE A 79 96.492 -9.188 8.421 1.00 0.00 H new ATOM 0 HG22 ILE A 79 98.193 -8.715 8.645 1.00 0.00 H new ATOM 0 HG23 ILE A 79 97.487 -8.750 7.012 1.00 0.00 H new ATOM 0 HD11 ILE A 79 94.850 -11.995 6.942 1.00 0.00 H new ATOM 0 HD12 ILE A 79 95.647 -12.044 8.532 1.00 0.00 H new ATOM 0 HD13 ILE A 79 95.196 -10.481 7.811 1.00 0.00 H new ATOM 1174 N TYR A 80 100.829 -8.954 7.772 1.00 0.00 N ATOM 1175 CA TYR A 80 101.735 -8.189 8.619 1.00 0.00 C ATOM 1176 C TYR A 80 101.230 -6.759 8.751 1.00 0.00 C ATOM 1177 O TYR A 80 100.851 -6.149 7.753 1.00 0.00 O ATOM 1178 CB TYR A 80 103.131 -8.192 7.992 1.00 0.00 C ATOM 1179 CG TYR A 80 104.146 -7.360 8.741 1.00 0.00 C ATOM 1180 CD1 TYR A 80 104.355 -7.570 10.109 1.00 0.00 C ATOM 1181 CD2 TYR A 80 104.879 -6.379 8.064 1.00 0.00 C ATOM 1182 CE1 TYR A 80 105.298 -6.796 10.798 1.00 0.00 C ATOM 1183 CE2 TYR A 80 105.821 -5.606 8.752 1.00 0.00 C ATOM 1184 CZ TYR A 80 106.029 -5.816 10.120 1.00 0.00 C ATOM 1185 OH TYR A 80 106.957 -5.053 10.802 1.00 0.00 O ATOM 0 H TYR A 80 100.626 -8.523 6.870 1.00 0.00 H new ATOM 0 HA TYR A 80 101.780 -8.641 9.610 1.00 0.00 H new ATOM 0 HB2 TYR A 80 103.490 -9.220 7.936 1.00 0.00 H new ATOM 0 HB3 TYR A 80 103.059 -7.823 6.969 1.00 0.00 H new ATOM 0 HD1 TYR A 80 103.790 -8.327 10.633 1.00 0.00 H new ATOM 0 HD2 TYR A 80 104.717 -6.218 7.008 1.00 0.00 H new ATOM 0 HE1 TYR A 80 105.460 -6.957 11.854 1.00 0.00 H new ATOM 0 HE2 TYR A 80 106.386 -4.849 8.229 1.00 0.00 H new ATOM 0 HH TYR A 80 107.378 -4.420 10.184 1.00 0.00 H new ATOM 1195 N GLY A 81 101.218 -6.240 9.977 1.00 0.00 N ATOM 1196 CA GLY A 81 100.855 -4.838 10.200 1.00 0.00 C ATOM 1197 C GLY A 81 101.984 -4.131 10.939 1.00 0.00 C ATOM 1198 O GLY A 81 102.546 -4.695 11.875 1.00 0.00 O ATOM 0 H GLY A 81 101.452 -6.760 10.823 1.00 0.00 H new ATOM 0 HA2 GLY A 81 100.665 -4.345 9.247 1.00 0.00 H new ATOM 0 HA3 GLY A 81 99.934 -4.778 10.779 1.00 0.00 H new ATOM 1202 N VAL A 82 102.311 -2.903 10.536 1.00 0.00 N ATOM 1203 CA VAL A 82 103.482 -2.230 11.093 1.00 0.00 C ATOM 1204 C VAL A 82 103.230 -0.730 11.280 1.00 0.00 C ATOM 1205 O VAL A 82 102.519 -0.114 10.488 1.00 0.00 O ATOM 1206 CB VAL A 82 104.676 -2.502 10.162 1.00 0.00 C ATOM 1207 CG1 VAL A 82 104.528 -1.758 8.828 1.00 0.00 C ATOM 1208 CG2 VAL A 82 105.983 -2.096 10.846 1.00 0.00 C ATOM 0 H VAL A 82 101.794 -2.364 9.841 1.00 0.00 H new ATOM 0 HA VAL A 82 103.700 -2.622 12.086 1.00 0.00 H new ATOM 0 HB VAL A 82 104.697 -3.571 9.951 1.00 0.00 H new ATOM 0 HG11 VAL A 82 105.389 -1.972 8.194 1.00 0.00 H new ATOM 0 HG12 VAL A 82 103.618 -2.087 8.327 1.00 0.00 H new ATOM 0 HG13 VAL A 82 104.473 -0.685 9.014 1.00 0.00 H new ATOM 0 HG21 VAL A 82 106.820 -2.293 10.177 1.00 0.00 H new ATOM 0 HG22 VAL A 82 105.953 -1.033 11.086 1.00 0.00 H new ATOM 0 HG23 VAL A 82 106.108 -2.672 11.763 1.00 0.00 H new ATOM 1218 N VAL A 83 103.820 -0.156 12.327 1.00 0.00 N ATOM 1219 CA VAL A 83 103.733 1.285 12.559 1.00 0.00 C ATOM 1220 C VAL A 83 105.137 1.829 12.786 1.00 0.00 C ATOM 1221 O VAL A 83 105.952 1.167 13.428 1.00 0.00 O ATOM 1222 CB VAL A 83 102.862 1.583 13.784 1.00 0.00 C ATOM 1223 CG1 VAL A 83 101.424 1.131 13.516 1.00 0.00 C ATOM 1224 CG2 VAL A 83 103.413 0.840 15.005 1.00 0.00 C ATOM 0 H VAL A 83 104.362 -0.664 13.026 1.00 0.00 H new ATOM 0 HA VAL A 83 103.279 1.762 11.691 1.00 0.00 H new ATOM 0 HB VAL A 83 102.874 2.655 13.979 1.00 0.00 H new ATOM 0 HG11 VAL A 83 100.807 1.344 14.389 1.00 0.00 H new ATOM 0 HG12 VAL A 83 101.029 1.667 12.653 1.00 0.00 H new ATOM 0 HG13 VAL A 83 101.411 0.060 13.315 1.00 0.00 H new ATOM 0 HG21 VAL A 83 102.790 1.055 15.873 1.00 0.00 H new ATOM 0 HG22 VAL A 83 103.407 -0.233 14.811 1.00 0.00 H new ATOM 0 HG23 VAL A 83 104.434 1.168 15.200 1.00 0.00 H new ATOM 1234 N GLY A 84 105.427 3.013 12.253 1.00 0.00 N ATOM 1235 CA GLY A 84 106.769 3.565 12.369 1.00 0.00 C ATOM 1236 C GLY A 84 106.740 5.083 12.459 1.00 0.00 C ATOM 1237 O GLY A 84 105.694 5.708 12.299 1.00 0.00 O ATOM 0 H GLY A 84 104.763 3.598 11.746 1.00 0.00 H new ATOM 0 HA2 GLY A 84 107.257 3.156 13.254 1.00 0.00 H new ATOM 0 HA3 GLY A 84 107.364 3.262 11.508 1.00 0.00 H new ATOM 1241 N VAL A 85 107.913 5.670 12.670 1.00 0.00 N ATOM 1242 CA VAL A 85 108.048 7.120 12.676 1.00 0.00 C ATOM 1243 C VAL A 85 108.996 7.526 11.559 1.00 0.00 C ATOM 1244 O VAL A 85 110.092 6.980 11.444 1.00 0.00 O ATOM 1245 CB VAL A 85 108.590 7.599 14.027 1.00 0.00 C ATOM 1246 CG1 VAL A 85 107.592 7.246 15.131 1.00 0.00 C ATOM 1247 CG2 VAL A 85 109.932 6.922 14.322 1.00 0.00 C ATOM 0 H VAL A 85 108.782 5.164 12.839 1.00 0.00 H new ATOM 0 HA VAL A 85 107.072 7.579 12.519 1.00 0.00 H new ATOM 0 HB VAL A 85 108.733 8.679 13.991 1.00 0.00 H new ATOM 0 HG11 VAL A 85 107.977 7.587 16.092 1.00 0.00 H new ATOM 0 HG12 VAL A 85 106.638 7.734 14.929 1.00 0.00 H new ATOM 0 HG13 VAL A 85 107.448 6.166 15.160 1.00 0.00 H new ATOM 0 HG21 VAL A 85 110.310 7.268 15.284 1.00 0.00 H new ATOM 0 HG22 VAL A 85 109.795 5.841 14.353 1.00 0.00 H new ATOM 0 HG23 VAL A 85 110.647 7.175 13.539 1.00 0.00 H new ATOM 1257 N GLY A 86 108.549 8.447 10.710 1.00 0.00 N ATOM 1258 CA GLY A 86 109.373 8.911 9.595 1.00 0.00 C ATOM 1259 C GLY A 86 109.564 10.418 9.667 1.00 0.00 C ATOM 1260 O GLY A 86 108.622 11.145 9.971 1.00 0.00 O ATOM 0 H GLY A 86 107.629 8.884 10.770 1.00 0.00 H new ATOM 0 HA2 GLY A 86 110.343 8.414 9.620 1.00 0.00 H new ATOM 0 HA3 GLY A 86 108.901 8.643 8.650 1.00 0.00 H new ATOM 1264 N TYR A 87 110.784 10.888 9.411 1.00 0.00 N ATOM 1265 CA TYR A 87 111.058 12.321 9.461 1.00 0.00 C ATOM 1266 C TYR A 87 111.970 12.754 8.320 1.00 0.00 C ATOM 1267 O TYR A 87 112.707 11.944 7.757 1.00 0.00 O ATOM 1268 CB TYR A 87 111.683 12.689 10.810 1.00 0.00 C ATOM 1269 CG TYR A 87 113.090 12.172 11.011 1.00 0.00 C ATOM 1270 CD1 TYR A 87 114.184 12.953 10.620 1.00 0.00 C ATOM 1271 CD2 TYR A 87 113.298 10.918 11.593 1.00 0.00 C ATOM 1272 CE1 TYR A 87 115.487 12.478 10.812 1.00 0.00 C ATOM 1273 CE2 TYR A 87 114.602 10.442 11.785 1.00 0.00 C ATOM 1274 CZ TYR A 87 115.696 11.223 11.393 1.00 0.00 C ATOM 1275 OH TYR A 87 116.980 10.755 11.583 1.00 0.00 O ATOM 0 H TYR A 87 111.587 10.307 9.170 1.00 0.00 H new ATOM 0 HA TYR A 87 110.111 12.849 9.348 1.00 0.00 H new ATOM 0 HB2 TYR A 87 111.691 13.775 10.909 1.00 0.00 H new ATOM 0 HB3 TYR A 87 111.049 12.301 11.608 1.00 0.00 H new ATOM 0 HD1 TYR A 87 114.023 13.922 10.170 1.00 0.00 H new ATOM 0 HD2 TYR A 87 112.454 10.316 11.895 1.00 0.00 H new ATOM 0 HE1 TYR A 87 116.331 13.081 10.511 1.00 0.00 H new ATOM 0 HE2 TYR A 87 114.763 9.473 12.235 1.00 0.00 H new ATOM 0 HH TYR A 87 117.381 10.539 10.715 1.00 0.00 H new ATOM 1285 N GLY A 88 111.914 14.042 8.001 1.00 0.00 N ATOM 1286 CA GLY A 88 112.731 14.610 6.931 1.00 0.00 C ATOM 1287 C GLY A 88 113.617 15.731 7.463 1.00 0.00 C ATOM 1288 O GLY A 88 113.180 16.546 8.273 1.00 0.00 O ATOM 0 H GLY A 88 111.309 14.717 8.469 1.00 0.00 H new ATOM 0 HA2 GLY A 88 113.350 13.830 6.487 1.00 0.00 H new ATOM 0 HA3 GLY A 88 112.087 14.994 6.140 1.00 0.00 H new ATOM 1292 N LYS A 89 114.866 15.766 7.002 1.00 0.00 N ATOM 1293 CA LYS A 89 115.812 16.772 7.478 1.00 0.00 C ATOM 1294 C LYS A 89 116.712 17.241 6.343 1.00 0.00 C ATOM 1295 O LYS A 89 117.038 16.469 5.444 1.00 0.00 O ATOM 1296 CB LYS A 89 116.665 16.187 8.606 1.00 0.00 C ATOM 1297 CG LYS A 89 117.541 17.286 9.210 1.00 0.00 C ATOM 1298 CD LYS A 89 118.450 16.684 10.282 1.00 0.00 C ATOM 1299 CE LYS A 89 119.211 17.804 10.995 1.00 0.00 C ATOM 1300 NZ LYS A 89 120.156 17.211 11.984 1.00 0.00 N ATOM 0 H LYS A 89 115.242 15.119 6.309 1.00 0.00 H new ATOM 0 HA LYS A 89 115.250 17.628 7.853 1.00 0.00 H new ATOM 0 HB2 LYS A 89 116.023 15.756 9.375 1.00 0.00 H new ATOM 0 HB3 LYS A 89 117.289 15.380 8.222 1.00 0.00 H new ATOM 0 HG2 LYS A 89 118.142 17.756 8.431 1.00 0.00 H new ATOM 0 HG3 LYS A 89 116.916 18.066 9.645 1.00 0.00 H new ATOM 0 HD2 LYS A 89 117.857 16.118 11.001 1.00 0.00 H new ATOM 0 HD3 LYS A 89 119.152 15.985 9.828 1.00 0.00 H new ATOM 0 HE2 LYS A 89 119.758 18.406 10.269 1.00 0.00 H new ATOM 0 HE3 LYS A 89 118.511 18.470 11.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 120.674 17.972 12.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 119.623 16.655 12.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 120.831 16.592 11.491 1.00 0.00 H new ATOM 1314 N PHE A 90 117.092 18.516 6.376 1.00 0.00 N ATOM 1315 CA PHE A 90 118.015 19.052 5.379 1.00 0.00 C ATOM 1316 C PHE A 90 119.425 19.121 5.957 1.00 0.00 C ATOM 1317 O PHE A 90 119.633 19.651 7.048 1.00 0.00 O ATOM 1318 CB PHE A 90 117.567 20.449 4.951 1.00 0.00 C ATOM 1319 CG PHE A 90 116.222 20.467 4.261 1.00 0.00 C ATOM 1320 CD1 PHE A 90 116.137 20.216 2.888 1.00 0.00 C ATOM 1321 CD2 PHE A 90 115.062 20.734 4.999 1.00 0.00 C ATOM 1322 CE1 PHE A 90 114.890 20.232 2.249 1.00 0.00 C ATOM 1323 CE2 PHE A 90 113.817 20.751 4.362 1.00 0.00 C ATOM 1324 CZ PHE A 90 113.730 20.500 2.987 1.00 0.00 C ATOM 0 H PHE A 90 116.779 19.191 7.074 1.00 0.00 H new ATOM 0 HA PHE A 90 118.016 18.394 4.510 1.00 0.00 H new ATOM 0 HB2 PHE A 90 117.524 21.093 5.829 1.00 0.00 H new ATOM 0 HB3 PHE A 90 118.316 20.873 4.281 1.00 0.00 H new ATOM 0 HD1 PHE A 90 117.032 20.010 2.320 1.00 0.00 H new ATOM 0 HD2 PHE A 90 115.129 20.927 6.060 1.00 0.00 H new ATOM 0 HE1 PHE A 90 114.823 20.038 1.189 1.00 0.00 H new ATOM 0 HE2 PHE A 90 112.922 20.958 4.931 1.00 0.00 H new ATOM 0 HZ PHE A 90 112.768 20.513 2.496 1.00 0.00 H new ATOM 1334 N GLN A 91 120.392 18.581 5.219 1.00 0.00 N ATOM 1335 CA GLN A 91 121.776 18.536 5.683 1.00 0.00 C ATOM 1336 C GLN A 91 122.665 19.442 4.836 1.00 0.00 C ATOM 1337 O GLN A 91 122.457 19.579 3.630 1.00 0.00 O ATOM 1338 CB GLN A 91 122.298 17.099 5.615 1.00 0.00 C ATOM 1339 CG GLN A 91 123.689 17.026 6.250 1.00 0.00 C ATOM 1340 CD GLN A 91 124.218 15.591 6.247 1.00 0.00 C ATOM 1341 OE1 GLN A 91 123.495 14.649 5.915 1.00 0.00 O ATOM 1342 NE2 GLN A 91 125.451 15.366 6.607 1.00 0.00 N ATOM 0 H GLN A 91 120.243 18.169 4.298 1.00 0.00 H new ATOM 0 HA GLN A 91 121.803 18.889 6.714 1.00 0.00 H new ATOM 0 HB2 GLN A 91 121.614 16.428 6.135 1.00 0.00 H new ATOM 0 HB3 GLN A 91 122.343 16.767 4.578 1.00 0.00 H new ATOM 0 HG2 GLN A 91 124.376 17.672 5.704 1.00 0.00 H new ATOM 0 HG3 GLN A 91 123.646 17.399 7.273 1.00 0.00 H new ATOM 0 HE21 GLN A 91 126.052 16.143 6.882 1.00 0.00 H new ATOM 0 HE22 GLN A 91 125.815 14.413 6.613 1.00 0.00 H new ATOM 1351 N THR A 92 123.653 20.058 5.476 1.00 0.00 N ATOM 1352 CA THR A 92 124.591 20.922 4.769 1.00 0.00 C ATOM 1353 C THR A 92 125.529 20.089 3.904 1.00 0.00 C ATOM 1354 O THR A 92 125.996 19.030 4.325 1.00 0.00 O ATOM 1355 CB THR A 92 125.405 21.740 5.772 1.00 0.00 C ATOM 1356 OG1 THR A 92 124.524 22.434 6.644 1.00 0.00 O ATOM 1357 CG2 THR A 92 126.281 22.747 5.024 1.00 0.00 C ATOM 0 H THR A 92 123.825 19.976 6.478 1.00 0.00 H new ATOM 0 HA THR A 92 124.026 21.598 4.127 1.00 0.00 H new ATOM 0 HB THR A 92 126.040 21.071 6.353 1.00 0.00 H new ATOM 0 HG1 THR A 92 125.046 22.957 7.288 1.00 0.00 H new ATOM 0 HG21 THR A 92 126.860 23.329 5.741 1.00 0.00 H new ATOM 0 HG22 THR A 92 126.959 22.215 4.357 1.00 0.00 H new ATOM 0 HG23 THR A 92 125.649 23.416 4.440 1.00 0.00 H new ATOM 1365 N THR A 93 125.806 20.571 2.695 1.00 0.00 N ATOM 1366 CA THR A 93 126.648 19.827 1.767 1.00 0.00 C ATOM 1367 C THR A 93 128.012 19.531 2.386 1.00 0.00 C ATOM 1368 O THR A 93 128.461 18.386 2.385 1.00 0.00 O ATOM 1369 CB THR A 93 126.836 20.631 0.479 1.00 0.00 C ATOM 1370 OG1 THR A 93 125.565 20.993 -0.040 1.00 0.00 O ATOM 1371 CG2 THR A 93 127.588 19.784 -0.551 1.00 0.00 C ATOM 0 H THR A 93 125.463 21.463 2.339 1.00 0.00 H new ATOM 0 HA THR A 93 126.156 18.881 1.542 1.00 0.00 H new ATOM 0 HB THR A 93 127.412 21.531 0.694 1.00 0.00 H new ATOM 0 HG1 THR A 93 125.683 21.510 -0.864 1.00 0.00 H new ATOM 0 HG21 THR A 93 127.721 20.359 -1.468 1.00 0.00 H new ATOM 0 HG22 THR A 93 128.564 19.507 -0.152 1.00 0.00 H new ATOM 0 HG23 THR A 93 127.016 18.882 -0.768 1.00 0.00 H new ATOM 1379 N GLU A 94 128.651 20.562 2.935 1.00 0.00 N ATOM 1380 CA GLU A 94 129.965 20.394 3.549 1.00 0.00 C ATOM 1381 C GLU A 94 130.436 21.695 4.195 1.00 0.00 C ATOM 1382 O GLU A 94 130.513 21.797 5.420 1.00 0.00 O ATOM 1383 CB GLU A 94 130.987 19.947 2.499 1.00 0.00 C ATOM 1384 CG GLU A 94 132.311 19.597 3.191 1.00 0.00 C ATOM 1385 CD GLU A 94 133.405 19.229 2.181 1.00 0.00 C ATOM 1386 OE1 GLU A 94 133.156 19.271 0.985 1.00 0.00 O ATOM 1387 OE2 GLU A 94 134.493 18.906 2.628 1.00 0.00 O ATOM 0 H GLU A 94 128.284 21.513 2.967 1.00 0.00 H new ATOM 0 HA GLU A 94 129.879 19.630 4.322 1.00 0.00 H new ATOM 0 HB2 GLU A 94 130.610 19.082 1.954 1.00 0.00 H new ATOM 0 HB3 GLU A 94 131.145 20.740 1.768 1.00 0.00 H new ATOM 0 HG2 GLU A 94 132.642 20.444 3.792 1.00 0.00 H new ATOM 0 HG3 GLU A 94 132.154 18.763 3.875 1.00 0.00 H new ATOM 1394 N TYR A 95 130.752 22.688 3.365 1.00 0.00 N ATOM 1395 CA TYR A 95 131.292 23.956 3.857 1.00 0.00 C ATOM 1396 C TYR A 95 130.203 25.028 3.988 1.00 0.00 C ATOM 1397 O TYR A 95 130.077 25.627 5.058 1.00 0.00 O ATOM 1398 CB TYR A 95 132.430 24.443 2.936 1.00 0.00 C ATOM 1399 CG TYR A 95 133.680 24.862 3.676 1.00 0.00 C ATOM 1400 CD1 TYR A 95 134.572 23.893 4.147 1.00 0.00 C ATOM 1401 CD2 TYR A 95 133.946 26.221 3.888 1.00 0.00 C ATOM 1402 CE1 TYR A 95 135.730 24.279 4.833 1.00 0.00 C ATOM 1403 CE2 TYR A 95 135.104 26.607 4.573 1.00 0.00 C ATOM 1404 CZ TYR A 95 135.996 25.638 5.046 1.00 0.00 C ATOM 1405 OH TYR A 95 137.137 26.020 5.721 1.00 0.00 O ATOM 0 H TYR A 95 130.644 22.640 2.352 1.00 0.00 H new ATOM 0 HA TYR A 95 131.694 23.782 4.855 1.00 0.00 H new ATOM 0 HB2 TYR A 95 132.684 23.647 2.236 1.00 0.00 H new ATOM 0 HB3 TYR A 95 132.070 25.285 2.344 1.00 0.00 H new ATOM 0 HD1 TYR A 95 134.367 22.846 3.981 1.00 0.00 H new ATOM 0 HD2 TYR A 95 133.258 26.970 3.523 1.00 0.00 H new ATOM 0 HE1 TYR A 95 136.417 23.530 5.198 1.00 0.00 H new ATOM 0 HE2 TYR A 95 135.309 27.655 4.737 1.00 0.00 H new ATOM 0 HH TYR A 95 137.170 26.998 5.781 1.00 0.00 H new ATOM 1415 N PRO A 96 129.435 25.303 2.952 1.00 0.00 N ATOM 1416 CA PRO A 96 128.382 26.367 3.018 1.00 0.00 C ATOM 1417 C PRO A 96 127.542 26.293 4.290 1.00 0.00 C ATOM 1418 O PRO A 96 126.620 25.484 4.391 1.00 0.00 O ATOM 1419 CB PRO A 96 127.515 26.112 1.786 1.00 0.00 C ATOM 1420 CG PRO A 96 128.421 25.454 0.803 1.00 0.00 C ATOM 1421 CD PRO A 96 129.452 24.672 1.614 1.00 0.00 C ATOM 0 HA PRO A 96 128.828 27.361 3.036 1.00 0.00 H new ATOM 0 HB2 PRO A 96 126.665 25.474 2.027 1.00 0.00 H new ATOM 0 HB3 PRO A 96 127.112 27.043 1.388 1.00 0.00 H new ATOM 0 HG2 PRO A 96 127.861 24.790 0.145 1.00 0.00 H new ATOM 0 HG3 PRO A 96 128.908 26.195 0.169 1.00 0.00 H new ATOM 0 HD2 PRO A 96 129.192 23.615 1.671 1.00 0.00 H new ATOM 0 HD3 PRO A 96 130.441 24.732 1.160 1.00 0.00 H new ATOM 1429 N THR A 97 127.872 27.143 5.258 1.00 0.00 N ATOM 1430 CA THR A 97 127.153 27.153 6.527 1.00 0.00 C ATOM 1431 C THR A 97 125.916 28.043 6.440 1.00 0.00 C ATOM 1432 O THR A 97 125.987 29.182 5.978 1.00 0.00 O ATOM 1433 CB THR A 97 128.074 27.665 7.639 1.00 0.00 C ATOM 1434 OG1 THR A 97 129.269 26.900 7.649 1.00 0.00 O ATOM 1435 CG2 THR A 97 127.370 27.533 8.992 1.00 0.00 C ATOM 0 H THR A 97 128.625 27.827 5.189 1.00 0.00 H new ATOM 0 HA THR A 97 126.836 26.135 6.752 1.00 0.00 H new ATOM 0 HB THR A 97 128.313 28.713 7.459 1.00 0.00 H new ATOM 0 HG1 THR A 97 129.861 27.227 8.359 1.00 0.00 H new ATOM 0 HG21 THR A 97 128.027 27.898 9.781 1.00 0.00 H new ATOM 0 HG22 THR A 97 126.452 28.121 8.983 1.00 0.00 H new ATOM 0 HG23 THR A 97 127.129 26.486 9.176 1.00 0.00 H new ATOM 1443 N TYR A 98 124.785 27.509 6.887 1.00 0.00 N ATOM 1444 CA TYR A 98 123.538 28.267 6.889 1.00 0.00 C ATOM 1445 C TYR A 98 122.586 27.724 7.952 1.00 0.00 C ATOM 1446 O TYR A 98 122.786 26.623 8.468 1.00 0.00 O ATOM 1447 CB TYR A 98 122.889 28.203 5.503 1.00 0.00 C ATOM 1448 CG TYR A 98 122.392 26.829 5.120 1.00 0.00 C ATOM 1449 CD1 TYR A 98 123.242 25.940 4.450 1.00 0.00 C ATOM 1450 CD2 TYR A 98 121.083 26.445 5.434 1.00 0.00 C ATOM 1451 CE1 TYR A 98 122.782 24.666 4.094 1.00 0.00 C ATOM 1452 CE2 TYR A 98 120.624 25.170 5.079 1.00 0.00 C ATOM 1453 CZ TYR A 98 121.473 24.282 4.408 1.00 0.00 C ATOM 1454 OH TYR A 98 121.021 23.025 4.059 1.00 0.00 O ATOM 0 H TYR A 98 124.705 26.559 7.251 1.00 0.00 H new ATOM 0 HA TYR A 98 123.757 29.308 7.127 1.00 0.00 H new ATOM 0 HB2 TYR A 98 122.053 28.902 5.472 1.00 0.00 H new ATOM 0 HB3 TYR A 98 123.612 28.537 4.759 1.00 0.00 H new ATOM 0 HD1 TYR A 98 124.252 26.237 4.208 1.00 0.00 H new ATOM 0 HD2 TYR A 98 120.427 27.131 5.950 1.00 0.00 H new ATOM 0 HE1 TYR A 98 123.437 23.980 3.577 1.00 0.00 H new ATOM 0 HE2 TYR A 98 119.615 24.872 5.323 1.00 0.00 H new ATOM 0 HH TYR A 98 120.464 22.665 4.781 1.00 0.00 H new ATOM 1464 N LYS A 99 121.551 28.496 8.274 1.00 0.00 N ATOM 1465 CA LYS A 99 120.581 28.087 9.289 1.00 0.00 C ATOM 1466 C LYS A 99 119.174 28.043 8.690 1.00 0.00 C ATOM 1467 O LYS A 99 118.293 28.826 9.051 1.00 0.00 O ATOM 1468 CB LYS A 99 120.631 29.064 10.470 1.00 0.00 C ATOM 1469 CG LYS A 99 119.748 28.551 11.612 1.00 0.00 C ATOM 1470 CD LYS A 99 120.446 27.397 12.333 1.00 0.00 C ATOM 1471 CE LYS A 99 119.604 26.958 13.532 1.00 0.00 C ATOM 1472 NZ LYS A 99 120.266 25.809 14.209 1.00 0.00 N ATOM 0 H LYS A 99 121.362 29.404 7.850 1.00 0.00 H new ATOM 0 HA LYS A 99 120.833 27.088 9.644 1.00 0.00 H new ATOM 0 HB2 LYS A 99 121.658 29.177 10.816 1.00 0.00 H new ATOM 0 HB3 LYS A 99 120.292 30.050 10.152 1.00 0.00 H new ATOM 0 HG2 LYS A 99 119.542 29.358 12.315 1.00 0.00 H new ATOM 0 HG3 LYS A 99 118.788 28.218 11.219 1.00 0.00 H new ATOM 0 HD2 LYS A 99 120.588 26.560 11.649 1.00 0.00 H new ATOM 0 HD3 LYS A 99 121.436 27.708 12.665 1.00 0.00 H new ATOM 0 HE2 LYS A 99 119.486 27.787 14.230 1.00 0.00 H new ATOM 0 HE3 LYS A 99 118.604 26.674 13.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 119.694 25.510 15.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 120.356 25.017 13.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 121.211 26.096 14.536 1.00 0.00 H new ATOM 1486 N HIS A 100 118.975 27.121 7.751 1.00 0.00 N ATOM 1487 CA HIS A 100 117.671 26.948 7.105 1.00 0.00 C ATOM 1488 C HIS A 100 117.132 25.514 7.213 1.00 0.00 C ATOM 1489 O HIS A 100 116.016 25.243 6.770 1.00 0.00 O ATOM 1490 CB HIS A 100 117.780 27.330 5.628 1.00 0.00 C ATOM 1491 CG HIS A 100 118.277 28.732 5.407 1.00 0.00 C ATOM 1492 ND1 HIS A 100 117.513 29.845 5.721 1.00 0.00 N ATOM 1493 CD2 HIS A 100 119.460 29.219 4.905 1.00 0.00 C ATOM 1494 CE1 HIS A 100 118.237 30.935 5.408 1.00 0.00 C ATOM 1495 NE2 HIS A 100 119.432 30.611 4.907 1.00 0.00 N ATOM 0 H HIS A 100 119.697 26.482 7.419 1.00 0.00 H new ATOM 0 HA HIS A 100 116.970 27.599 7.628 1.00 0.00 H new ATOM 0 HB2 HIS A 100 118.452 26.632 5.129 1.00 0.00 H new ATOM 0 HB3 HIS A 100 116.802 27.221 5.159 1.00 0.00 H new ATOM 0 HD2 HIS A 100 120.286 28.614 4.561 1.00 0.00 H new ATOM 0 HE1 HIS A 100 117.893 31.950 5.545 1.00 0.00 H new ATOM 0 HE2 HIS A 100 120.166 31.246 4.593 1.00 0.00 H new ATOM 1503 N ASP A 101 117.907 24.593 7.793 1.00 0.00 N ATOM 1504 CA ASP A 101 117.479 23.203 7.905 1.00 0.00 C ATOM 1505 C ASP A 101 116.269 23.082 8.824 1.00 0.00 C ATOM 1506 O ASP A 101 116.141 23.823 9.798 1.00 0.00 O ATOM 1507 CB ASP A 101 118.624 22.346 8.451 1.00 0.00 C ATOM 1508 CG ASP A 101 119.805 22.349 7.479 1.00 0.00 C ATOM 1509 OD1 ASP A 101 119.575 22.462 6.287 1.00 0.00 O ATOM 1510 OD2 ASP A 101 120.927 22.238 7.947 1.00 0.00 O ATOM 0 H ASP A 101 118.827 24.786 8.189 1.00 0.00 H new ATOM 0 HA ASP A 101 117.201 22.850 6.912 1.00 0.00 H new ATOM 0 HB2 ASP A 101 118.942 22.729 9.421 1.00 0.00 H new ATOM 0 HB3 ASP A 101 118.278 21.325 8.609 1.00 0.00 H new ATOM 1515 N THR A 102 115.384 22.142 8.505 1.00 0.00 N ATOM 1516 CA THR A 102 114.180 21.931 9.305 1.00 0.00 C ATOM 1517 C THR A 102 113.919 20.439 9.502 1.00 0.00 C ATOM 1518 O THR A 102 114.385 19.610 8.722 1.00 0.00 O ATOM 1519 CB THR A 102 112.980 22.601 8.625 1.00 0.00 C ATOM 1520 OG1 THR A 102 111.833 22.468 9.454 1.00 0.00 O ATOM 1521 CG2 THR A 102 112.707 21.964 7.259 1.00 0.00 C ATOM 0 H THR A 102 115.476 21.518 7.704 1.00 0.00 H new ATOM 0 HA THR A 102 114.327 22.381 10.287 1.00 0.00 H new ATOM 0 HB THR A 102 113.206 23.657 8.475 1.00 0.00 H new ATOM 0 HG1 THR A 102 111.065 22.897 9.022 1.00 0.00 H new ATOM 0 HG21 THR A 102 111.852 22.454 6.793 1.00 0.00 H new ATOM 0 HG22 THR A 102 113.583 22.081 6.621 1.00 0.00 H new ATOM 0 HG23 THR A 102 112.491 20.903 7.389 1.00 0.00 H new ATOM 1529 N SER A 103 113.171 20.107 10.549 1.00 0.00 N ATOM 1530 CA SER A 103 112.857 18.711 10.844 1.00 0.00 C ATOM 1531 C SER A 103 111.385 18.553 11.213 1.00 0.00 C ATOM 1532 O SER A 103 110.809 19.405 11.891 1.00 0.00 O ATOM 1533 CB SER A 103 113.729 18.216 11.998 1.00 0.00 C ATOM 1534 OG SER A 103 113.495 16.828 12.196 1.00 0.00 O ATOM 0 H SER A 103 112.773 20.779 11.204 1.00 0.00 H new ATOM 0 HA SER A 103 113.058 18.118 9.952 1.00 0.00 H new ATOM 0 HB2 SER A 103 114.782 18.392 11.776 1.00 0.00 H new ATOM 0 HB3 SER A 103 113.498 18.770 12.908 1.00 0.00 H new ATOM 0 HG SER A 103 114.053 16.504 12.934 1.00 0.00 H new ATOM 1540 N ASP A 104 110.786 17.455 10.763 1.00 0.00 N ATOM 1541 CA ASP A 104 109.394 17.165 11.084 1.00 0.00 C ATOM 1542 C ASP A 104 109.159 15.658 11.087 1.00 0.00 C ATOM 1543 O ASP A 104 109.723 14.940 10.260 1.00 0.00 O ATOM 1544 CB ASP A 104 108.466 17.842 10.068 1.00 0.00 C ATOM 1545 CG ASP A 104 108.697 17.287 8.662 1.00 0.00 C ATOM 1546 OD1 ASP A 104 109.803 16.857 8.380 1.00 0.00 O ATOM 1547 OD2 ASP A 104 107.757 17.302 7.884 1.00 0.00 O ATOM 0 H ASP A 104 111.241 16.754 10.178 1.00 0.00 H new ATOM 0 HA ASP A 104 109.173 17.557 12.077 1.00 0.00 H new ATOM 0 HB2 ASP A 104 107.427 17.686 10.358 1.00 0.00 H new ATOM 0 HB3 ASP A 104 108.640 18.918 10.071 1.00 0.00 H new ATOM 1552 N TYR A 105 108.330 15.198 12.023 1.00 0.00 N ATOM 1553 CA TYR A 105 108.046 13.772 12.168 1.00 0.00 C ATOM 1554 C TYR A 105 106.592 13.468 11.806 1.00 0.00 C ATOM 1555 O TYR A 105 105.711 14.307 11.996 1.00 0.00 O ATOM 1556 CB TYR A 105 108.295 13.342 13.615 1.00 0.00 C ATOM 1557 CG TYR A 105 109.686 13.658 14.112 1.00 0.00 C ATOM 1558 CD1 TYR A 105 109.999 14.954 14.538 1.00 0.00 C ATOM 1559 CD2 TYR A 105 110.660 12.653 14.157 1.00 0.00 C ATOM 1560 CE1 TYR A 105 111.285 15.248 15.005 1.00 0.00 C ATOM 1561 CE2 TYR A 105 111.948 12.945 14.624 1.00 0.00 C ATOM 1562 CZ TYR A 105 112.260 14.243 15.049 1.00 0.00 C ATOM 1563 OH TYR A 105 113.528 14.531 15.510 1.00 0.00 O ATOM 0 H TYR A 105 107.843 15.793 12.693 1.00 0.00 H new ATOM 0 HA TYR A 105 108.703 13.223 11.493 1.00 0.00 H new ATOM 0 HB2 TYR A 105 107.568 13.834 14.261 1.00 0.00 H new ATOM 0 HB3 TYR A 105 108.123 12.269 13.700 1.00 0.00 H new ATOM 0 HD1 TYR A 105 109.247 15.728 14.506 1.00 0.00 H new ATOM 0 HD2 TYR A 105 110.418 11.652 13.831 1.00 0.00 H new ATOM 0 HE1 TYR A 105 111.526 16.249 15.331 1.00 0.00 H new ATOM 0 HE2 TYR A 105 112.700 12.170 14.656 1.00 0.00 H new ATOM 0 HH TYR A 105 114.080 13.722 15.475 1.00 0.00 H new ATOM 1573 N GLY A 106 106.348 12.268 11.288 1.00 0.00 N ATOM 1574 CA GLY A 106 104.989 11.836 10.987 1.00 0.00 C ATOM 1575 C GLY A 106 104.825 10.358 11.318 1.00 0.00 C ATOM 1576 O GLY A 106 105.812 9.633 11.420 1.00 0.00 O ATOM 0 H GLY A 106 107.070 11.581 11.069 1.00 0.00 H new ATOM 0 HA2 GLY A 106 104.276 12.427 11.561 1.00 0.00 H new ATOM 0 HA3 GLY A 106 104.769 12.007 9.933 1.00 0.00 H new ATOM 1580 N PHE A 107 103.582 9.909 11.459 1.00 0.00 N ATOM 1581 CA PHE A 107 103.323 8.511 11.790 1.00 0.00 C ATOM 1582 C PHE A 107 102.905 7.747 10.541 1.00 0.00 C ATOM 1583 O PHE A 107 101.981 8.155 9.836 1.00 0.00 O ATOM 1584 CB PHE A 107 102.214 8.420 12.840 1.00 0.00 C ATOM 1585 CG PHE A 107 102.573 9.078 14.152 1.00 0.00 C ATOM 1586 CD1 PHE A 107 102.276 10.430 14.361 1.00 0.00 C ATOM 1587 CD2 PHE A 107 103.203 8.335 15.158 1.00 0.00 C ATOM 1588 CE1 PHE A 107 102.609 11.039 15.577 1.00 0.00 C ATOM 1589 CE2 PHE A 107 103.533 8.944 16.374 1.00 0.00 C ATOM 1590 CZ PHE A 107 103.237 10.296 16.584 1.00 0.00 C ATOM 0 H PHE A 107 102.747 10.484 11.351 1.00 0.00 H new ATOM 0 HA PHE A 107 104.236 8.071 12.191 1.00 0.00 H new ATOM 0 HB2 PHE A 107 101.311 8.884 12.445 1.00 0.00 H new ATOM 0 HB3 PHE A 107 101.980 7.371 13.020 1.00 0.00 H new ATOM 0 HD1 PHE A 107 101.790 11.003 13.585 1.00 0.00 H new ATOM 0 HD2 PHE A 107 103.434 7.293 14.996 1.00 0.00 H new ATOM 0 HE1 PHE A 107 102.381 12.082 15.738 1.00 0.00 H new ATOM 0 HE2 PHE A 107 104.016 8.370 17.151 1.00 0.00 H new ATOM 0 HZ PHE A 107 103.493 10.766 17.522 1.00 0.00 H new ATOM 1600 N SER A 108 103.585 6.636 10.264 1.00 0.00 N ATOM 1601 CA SER A 108 103.267 5.836 9.081 1.00 0.00 C ATOM 1602 C SER A 108 102.710 4.472 9.476 1.00 0.00 C ATOM 1603 O SER A 108 103.123 3.890 10.479 1.00 0.00 O ATOM 1604 CB SER A 108 104.525 5.643 8.235 1.00 0.00 C ATOM 1605 OG SER A 108 105.058 6.916 7.896 1.00 0.00 O ATOM 0 H SER A 108 104.349 6.272 10.833 1.00 0.00 H new ATOM 0 HA SER A 108 102.510 6.367 8.505 1.00 0.00 H new ATOM 0 HB2 SER A 108 105.263 5.061 8.787 1.00 0.00 H new ATOM 0 HB3 SER A 108 104.288 5.082 7.331 1.00 0.00 H new ATOM 0 HG SER A 108 105.866 6.799 7.355 1.00 0.00 H new ATOM 1611 N TYR A 109 101.779 3.972 8.669 1.00 0.00 N ATOM 1612 CA TYR A 109 101.180 2.660 8.900 1.00 0.00 C ATOM 1613 C TYR A 109 101.206 1.861 7.606 1.00 0.00 C ATOM 1614 O TYR A 109 100.960 2.421 6.538 1.00 0.00 O ATOM 1615 CB TYR A 109 99.734 2.820 9.377 1.00 0.00 C ATOM 1616 CG TYR A 109 99.016 1.507 9.591 1.00 0.00 C ATOM 1617 CD1 TYR A 109 99.119 0.839 10.818 1.00 0.00 C ATOM 1618 CD2 TYR A 109 98.245 0.958 8.559 1.00 0.00 C ATOM 1619 CE1 TYR A 109 98.453 -0.376 11.012 1.00 0.00 C ATOM 1620 CE2 TYR A 109 97.579 -0.258 8.754 1.00 0.00 C ATOM 1621 CZ TYR A 109 97.682 -0.925 9.980 1.00 0.00 C ATOM 1622 OH TYR A 109 97.027 -2.123 10.171 1.00 0.00 O ATOM 0 H TYR A 109 101.421 4.457 7.846 1.00 0.00 H new ATOM 0 HA TYR A 109 101.749 2.135 9.667 1.00 0.00 H new ATOM 0 HB2 TYR A 109 99.729 3.383 10.310 1.00 0.00 H new ATOM 0 HB3 TYR A 109 99.183 3.410 8.645 1.00 0.00 H new ATOM 0 HD1 TYR A 109 99.713 1.262 11.615 1.00 0.00 H new ATOM 0 HD2 TYR A 109 98.164 1.472 7.613 1.00 0.00 H new ATOM 0 HE1 TYR A 109 98.534 -0.891 11.958 1.00 0.00 H new ATOM 0 HE2 TYR A 109 96.985 -0.682 7.958 1.00 0.00 H new ATOM 0 HH TYR A 109 96.537 -2.361 9.357 1.00 0.00 H new ATOM 1632 N GLY A 110 101.510 0.567 7.688 1.00 0.00 N ATOM 1633 CA GLY A 110 101.611 -0.246 6.480 1.00 0.00 C ATOM 1634 C GLY A 110 101.108 -1.663 6.711 1.00 0.00 C ATOM 1635 O GLY A 110 101.016 -2.123 7.848 1.00 0.00 O ATOM 0 H GLY A 110 101.687 0.068 8.560 1.00 0.00 H new ATOM 0 HA2 GLY A 110 101.035 0.219 5.680 1.00 0.00 H new ATOM 0 HA3 GLY A 110 102.649 -0.278 6.149 1.00 0.00 H new ATOM 1639 N ALA A 111 100.800 -2.345 5.614 1.00 0.00 N ATOM 1640 CA ALA A 111 100.380 -3.739 5.683 1.00 0.00 C ATOM 1641 C ALA A 111 100.921 -4.498 4.479 1.00 0.00 C ATOM 1642 O ALA A 111 101.058 -3.928 3.398 1.00 0.00 O ATOM 1643 CB ALA A 111 98.853 -3.828 5.711 1.00 0.00 C ATOM 0 H ALA A 111 100.833 -1.958 4.671 1.00 0.00 H new ATOM 0 HA ALA A 111 100.775 -4.184 6.596 1.00 0.00 H new ATOM 0 HB1 ALA A 111 98.550 -4.874 5.763 1.00 0.00 H new ATOM 0 HB2 ALA A 111 98.474 -3.297 6.584 1.00 0.00 H new ATOM 0 HB3 ALA A 111 98.446 -3.377 4.806 1.00 0.00 H new ATOM 1649 N GLY A 112 101.202 -5.786 4.657 1.00 0.00 N ATOM 1650 CA GLY A 112 101.802 -6.567 3.578 1.00 0.00 C ATOM 1651 C GLY A 112 101.390 -8.033 3.609 1.00 0.00 C ATOM 1652 O GLY A 112 100.880 -8.534 4.614 1.00 0.00 O ATOM 0 H GLY A 112 101.029 -6.303 5.519 1.00 0.00 H new ATOM 0 HA2 GLY A 112 101.515 -6.134 2.620 1.00 0.00 H new ATOM 0 HA3 GLY A 112 102.888 -6.498 3.646 1.00 0.00 H new ATOM 1656 N LEU A 113 101.640 -8.703 2.486 1.00 0.00 N ATOM 1657 CA LEU A 113 101.371 -10.129 2.338 1.00 0.00 C ATOM 1658 C LEU A 113 102.707 -10.862 2.296 1.00 0.00 C ATOM 1659 O LEU A 113 103.672 -10.314 1.758 1.00 0.00 O ATOM 1660 CB LEU A 113 100.613 -10.370 1.030 1.00 0.00 C ATOM 1661 CG LEU A 113 100.074 -11.803 0.986 1.00 0.00 C ATOM 1662 CD1 LEU A 113 98.707 -11.861 1.679 1.00 0.00 C ATOM 1663 CD2 LEU A 113 99.929 -12.256 -0.469 1.00 0.00 C ATOM 0 H LEU A 113 102.036 -8.270 1.652 1.00 0.00 H new ATOM 0 HA LEU A 113 100.768 -10.491 3.171 1.00 0.00 H new ATOM 0 HB2 LEU A 113 99.789 -9.661 0.943 1.00 0.00 H new ATOM 0 HB3 LEU A 113 101.274 -10.196 0.181 1.00 0.00 H new ATOM 0 HG LEU A 113 100.770 -12.464 1.502 1.00 0.00 H new ATOM 0 HD11 LEU A 113 98.326 -12.882 1.646 1.00 0.00 H new ATOM 0 HD12 LEU A 113 98.812 -11.546 2.717 1.00 0.00 H new ATOM 0 HD13 LEU A 113 98.011 -11.197 1.167 1.00 0.00 H new ATOM 0 HD21 LEU A 113 99.545 -13.276 -0.496 1.00 0.00 H new ATOM 0 HD22 LEU A 113 99.237 -11.594 -0.989 1.00 0.00 H new ATOM 0 HD23 LEU A 113 100.902 -12.221 -0.960 1.00 0.00 H new ATOM 1675 N GLN A 114 102.780 -12.079 2.838 1.00 0.00 N ATOM 1676 CA GLN A 114 104.062 -12.783 2.899 1.00 0.00 C ATOM 1677 C GLN A 114 103.914 -14.262 2.555 1.00 0.00 C ATOM 1678 O GLN A 114 103.008 -14.943 3.038 1.00 0.00 O ATOM 1679 CB GLN A 114 104.678 -12.633 4.293 1.00 0.00 C ATOM 1680 CG GLN A 114 106.098 -13.211 4.292 1.00 0.00 C ATOM 1681 CD GLN A 114 106.762 -13.029 5.656 1.00 0.00 C ATOM 1682 OE1 GLN A 114 106.229 -12.353 6.537 1.00 0.00 O ATOM 1683 NE2 GLN A 114 107.913 -13.602 5.886 1.00 0.00 N ATOM 0 H GLN A 114 101.988 -12.587 3.232 1.00 0.00 H new ATOM 0 HA GLN A 114 104.721 -12.332 2.157 1.00 0.00 H new ATOM 0 HB2 GLN A 114 104.703 -11.582 4.580 1.00 0.00 H new ATOM 0 HB3 GLN A 114 104.064 -13.150 5.031 1.00 0.00 H new ATOM 0 HG2 GLN A 114 106.063 -14.271 4.038 1.00 0.00 H new ATOM 0 HG3 GLN A 114 106.695 -12.719 3.524 1.00 0.00 H new ATOM 0 HE21 GLN A 114 108.358 -14.163 5.159 1.00 0.00 H new ATOM 0 HE22 GLN A 114 108.367 -13.489 6.792 1.00 0.00 H new ATOM 1692 N PHE A 115 104.818 -14.745 1.710 1.00 0.00 N ATOM 1693 CA PHE A 115 104.890 -16.166 1.401 1.00 0.00 C ATOM 1694 C PHE A 115 106.352 -16.579 1.436 1.00 0.00 C ATOM 1695 O PHE A 115 107.147 -16.087 0.634 1.00 0.00 O ATOM 1696 CB PHE A 115 104.302 -16.446 0.017 1.00 0.00 C ATOM 1697 CG PHE A 115 104.367 -17.902 -0.378 1.00 0.00 C ATOM 1698 CD1 PHE A 115 103.413 -18.805 0.106 1.00 0.00 C ATOM 1699 CD2 PHE A 115 105.384 -18.351 -1.230 1.00 0.00 C ATOM 1700 CE1 PHE A 115 103.474 -20.155 -0.262 1.00 0.00 C ATOM 1701 CE2 PHE A 115 105.447 -19.699 -1.598 1.00 0.00 C ATOM 1702 CZ PHE A 115 104.492 -20.602 -1.114 1.00 0.00 C ATOM 0 H PHE A 115 105.511 -14.172 1.227 1.00 0.00 H new ATOM 0 HA PHE A 115 104.314 -16.734 2.131 1.00 0.00 H new ATOM 0 HB2 PHE A 115 103.263 -16.118 -0.001 1.00 0.00 H new ATOM 0 HB3 PHE A 115 104.837 -15.852 -0.724 1.00 0.00 H new ATOM 0 HD1 PHE A 115 102.629 -18.460 0.764 1.00 0.00 H new ATOM 0 HD2 PHE A 115 106.121 -17.655 -1.603 1.00 0.00 H new ATOM 0 HE1 PHE A 115 102.737 -20.851 0.111 1.00 0.00 H new ATOM 0 HE2 PHE A 115 106.232 -20.043 -2.255 1.00 0.00 H new ATOM 0 HZ PHE A 115 104.541 -21.643 -1.398 1.00 0.00 H new ATOM 1712 N ASN A 116 106.719 -17.448 2.374 1.00 0.00 N ATOM 1713 CA ASN A 116 108.131 -17.760 2.582 1.00 0.00 C ATOM 1714 C ASN A 116 108.394 -19.265 2.676 1.00 0.00 C ATOM 1715 O ASN A 116 107.795 -19.949 3.506 1.00 0.00 O ATOM 1716 CB ASN A 116 108.587 -17.112 3.892 1.00 0.00 C ATOM 1717 CG ASN A 116 107.741 -17.622 5.054 1.00 0.00 C ATOM 1718 OD1 ASN A 116 108.114 -18.589 5.716 1.00 0.00 O ATOM 1719 ND2 ASN A 116 106.617 -17.024 5.342 1.00 0.00 N ATOM 0 H ASN A 116 106.073 -17.940 2.991 1.00 0.00 H new ATOM 0 HA ASN A 116 108.682 -17.376 1.723 1.00 0.00 H new ATOM 0 HB2 ASN A 116 109.638 -17.338 4.071 1.00 0.00 H new ATOM 0 HB3 ASN A 116 108.502 -16.028 3.819 1.00 0.00 H new ATOM 0 HD21 ASN A 116 106.046 -17.359 6.118 1.00 0.00 H new ATOM 0 HD22 ASN A 116 106.310 -16.222 4.791 1.00 0.00 H new ATOM 1726 N PRO A 117 109.269 -19.792 1.855 1.00 0.00 N ATOM 1727 CA PRO A 117 109.965 -21.067 2.136 1.00 0.00 C ATOM 1728 C PRO A 117 111.388 -20.773 2.598 1.00 0.00 C ATOM 1729 O PRO A 117 111.802 -19.612 2.615 1.00 0.00 O ATOM 1730 CB PRO A 117 109.957 -21.781 0.782 1.00 0.00 C ATOM 1731 CG PRO A 117 109.761 -20.714 -0.253 1.00 0.00 C ATOM 1732 CD PRO A 117 109.597 -19.381 0.482 1.00 0.00 C ATOM 0 HA PRO A 117 109.500 -21.665 2.920 1.00 0.00 H new ATOM 0 HB2 PRO A 117 110.893 -22.315 0.618 1.00 0.00 H new ATOM 0 HB3 PRO A 117 109.157 -22.519 0.736 1.00 0.00 H new ATOM 0 HG2 PRO A 117 110.615 -20.676 -0.930 1.00 0.00 H new ATOM 0 HG3 PRO A 117 108.882 -20.927 -0.861 1.00 0.00 H new ATOM 0 HD2 PRO A 117 110.510 -18.787 0.447 1.00 0.00 H new ATOM 0 HD3 PRO A 117 108.805 -18.774 0.043 1.00 0.00 H new ATOM 1740 N MET A 118 112.138 -21.804 2.971 1.00 0.00 N ATOM 1741 CA MET A 118 113.515 -21.608 3.423 1.00 0.00 C ATOM 1742 C MET A 118 114.330 -20.859 2.370 1.00 0.00 C ATOM 1743 O MET A 118 113.902 -20.726 1.224 1.00 0.00 O ATOM 1744 CB MET A 118 114.164 -22.963 3.705 1.00 0.00 C ATOM 1745 CG MET A 118 113.428 -23.652 4.857 1.00 0.00 C ATOM 1746 SD MET A 118 114.316 -25.154 5.342 1.00 0.00 S ATOM 1747 CE MET A 118 114.208 -26.019 3.755 1.00 0.00 C ATOM 0 H MET A 118 111.823 -22.774 2.971 1.00 0.00 H new ATOM 0 HA MET A 118 113.497 -21.013 4.336 1.00 0.00 H new ATOM 0 HB2 MET A 118 114.130 -23.587 2.812 1.00 0.00 H new ATOM 0 HB3 MET A 118 115.215 -22.829 3.960 1.00 0.00 H new ATOM 0 HG2 MET A 118 113.349 -22.975 5.707 1.00 0.00 H new ATOM 0 HG3 MET A 118 112.411 -23.902 4.553 1.00 0.00 H new ATOM 0 HE1 MET A 118 114.137 -27.093 3.930 1.00 0.00 H new ATOM 0 HE2 MET A 118 113.324 -25.680 3.215 1.00 0.00 H new ATOM 0 HE3 MET A 118 115.098 -25.806 3.163 1.00 0.00 H new ATOM 1757 N GLU A 119 115.487 -20.342 2.781 1.00 0.00 N ATOM 1758 CA GLU A 119 116.415 -19.675 1.867 1.00 0.00 C ATOM 1759 C GLU A 119 115.826 -18.371 1.311 1.00 0.00 C ATOM 1760 O GLU A 119 114.748 -17.941 1.720 1.00 0.00 O ATOM 1761 CB GLU A 119 116.801 -20.629 0.725 1.00 0.00 C ATOM 1762 CG GLU A 119 117.430 -21.898 1.313 1.00 0.00 C ATOM 1763 CD GLU A 119 118.719 -21.584 2.076 1.00 0.00 C ATOM 1764 OE1 GLU A 119 119.278 -20.516 1.882 1.00 0.00 O ATOM 1765 OE2 GLU A 119 119.132 -22.428 2.855 1.00 0.00 O ATOM 0 H GLU A 119 115.806 -20.373 3.749 1.00 0.00 H new ATOM 0 HA GLU A 119 117.311 -19.410 2.428 1.00 0.00 H new ATOM 0 HB2 GLU A 119 115.920 -20.885 0.137 1.00 0.00 H new ATOM 0 HB3 GLU A 119 117.504 -20.141 0.050 1.00 0.00 H new ATOM 0 HG2 GLU A 119 116.718 -22.381 1.982 1.00 0.00 H new ATOM 0 HG3 GLU A 119 117.644 -22.605 0.511 1.00 0.00 H new ATOM 1772 N ASN A 120 116.528 -17.780 0.344 1.00 0.00 N ATOM 1773 CA ASN A 120 116.200 -16.466 -0.224 1.00 0.00 C ATOM 1774 C ASN A 120 114.807 -16.388 -0.854 1.00 0.00 C ATOM 1775 O ASN A 120 114.330 -15.298 -1.160 1.00 0.00 O ATOM 1776 CB ASN A 120 117.242 -16.102 -1.283 1.00 0.00 C ATOM 1777 CG ASN A 120 118.620 -15.962 -0.642 1.00 0.00 C ATOM 1778 OD1 ASN A 120 118.729 -15.710 0.558 1.00 0.00 O ATOM 1779 ND2 ASN A 120 119.688 -16.112 -1.377 1.00 0.00 N ATOM 0 H ASN A 120 117.355 -18.205 -0.076 1.00 0.00 H new ATOM 0 HA ASN A 120 116.206 -15.763 0.609 1.00 0.00 H new ATOM 0 HB2 ASN A 120 117.269 -16.870 -2.056 1.00 0.00 H new ATOM 0 HB3 ASN A 120 116.964 -15.168 -1.771 1.00 0.00 H new ATOM 0 HD21 ASN A 120 120.613 -16.020 -0.957 1.00 0.00 H new ATOM 0 HD22 ASN A 120 119.598 -16.321 -2.371 1.00 0.00 H new ATOM 1786 N VAL A 121 114.145 -17.521 -1.038 1.00 0.00 N ATOM 1787 CA VAL A 121 112.951 -17.597 -1.884 1.00 0.00 C ATOM 1788 C VAL A 121 111.693 -17.057 -1.176 1.00 0.00 C ATOM 1789 O VAL A 121 110.574 -17.327 -1.619 1.00 0.00 O ATOM 1790 CB VAL A 121 112.711 -19.048 -2.371 1.00 0.00 C ATOM 1791 CG1 VAL A 121 111.700 -19.055 -3.527 1.00 0.00 C ATOM 1792 CG2 VAL A 121 114.015 -19.694 -2.876 1.00 0.00 C ATOM 0 H VAL A 121 114.413 -18.408 -0.612 1.00 0.00 H new ATOM 0 HA VAL A 121 113.138 -16.958 -2.747 1.00 0.00 H new ATOM 0 HB VAL A 121 112.331 -19.616 -1.522 1.00 0.00 H new ATOM 0 HG11 VAL A 121 111.538 -20.079 -3.862 1.00 0.00 H new ATOM 0 HG12 VAL A 121 110.755 -18.631 -3.187 1.00 0.00 H new ATOM 0 HG13 VAL A 121 112.088 -18.460 -4.353 1.00 0.00 H new ATOM 0 HG21 VAL A 121 113.811 -20.711 -3.210 1.00 0.00 H new ATOM 0 HG22 VAL A 121 114.411 -19.111 -3.708 1.00 0.00 H new ATOM 0 HG23 VAL A 121 114.746 -19.717 -2.068 1.00 0.00 H new ATOM 1802 N ALA A 122 111.846 -16.275 -0.096 1.00 0.00 N ATOM 1803 CA ALA A 122 110.677 -15.747 0.615 1.00 0.00 C ATOM 1804 C ALA A 122 110.483 -14.266 0.287 1.00 0.00 C ATOM 1805 O ALA A 122 111.429 -13.484 0.363 1.00 0.00 O ATOM 1806 CB ALA A 122 110.884 -15.905 2.123 1.00 0.00 C ATOM 0 H ALA A 122 112.747 -16.000 0.295 1.00 0.00 H new ATOM 0 HA ALA A 122 109.793 -16.302 0.301 1.00 0.00 H new ATOM 0 HB1 ALA A 122 110.016 -15.513 2.653 1.00 0.00 H new ATOM 0 HB2 ALA A 122 111.010 -16.960 2.364 1.00 0.00 H new ATOM 0 HB3 ALA A 122 111.774 -15.354 2.428 1.00 0.00 H new ATOM 1812 N LEU A 123 109.252 -13.894 -0.080 1.00 0.00 N ATOM 1813 CA LEU A 123 108.975 -12.550 -0.590 1.00 0.00 C ATOM 1814 C LEU A 123 107.875 -11.874 0.229 1.00 0.00 C ATOM 1815 O LEU A 123 106.952 -12.534 0.705 1.00 0.00 O ATOM 1816 CB LEU A 123 108.523 -12.626 -2.061 1.00 0.00 C ATOM 1817 CG LEU A 123 109.709 -12.653 -3.040 1.00 0.00 C ATOM 1818 CD1 LEU A 123 110.474 -11.330 -2.984 1.00 0.00 C ATOM 1819 CD2 LEU A 123 110.656 -13.812 -2.717 1.00 0.00 C ATOM 0 H LEU A 123 108.435 -14.503 -0.033 1.00 0.00 H new ATOM 0 HA LEU A 123 109.892 -11.965 -0.511 1.00 0.00 H new ATOM 0 HB2 LEU A 123 107.916 -13.520 -2.206 1.00 0.00 H new ATOM 0 HB3 LEU A 123 107.888 -11.769 -2.288 1.00 0.00 H new ATOM 0 HG LEU A 123 109.314 -12.796 -4.046 1.00 0.00 H new ATOM 0 HD11 LEU A 123 111.311 -11.364 -3.682 1.00 0.00 H new ATOM 0 HD12 LEU A 123 109.807 -10.512 -3.256 1.00 0.00 H new ATOM 0 HD13 LEU A 123 110.851 -11.170 -1.974 1.00 0.00 H new ATOM 0 HD21 LEU A 123 111.487 -13.811 -3.423 1.00 0.00 H new ATOM 0 HD22 LEU A 123 111.040 -13.696 -1.704 1.00 0.00 H new ATOM 0 HD23 LEU A 123 110.116 -14.756 -2.794 1.00 0.00 H new ATOM 1831 N ASP A 124 107.983 -10.554 0.379 1.00 0.00 N ATOM 1832 CA ASP A 124 106.951 -9.780 1.066 1.00 0.00 C ATOM 1833 C ASP A 124 106.663 -8.485 0.308 1.00 0.00 C ATOM 1834 O ASP A 124 107.584 -7.847 -0.199 1.00 0.00 O ATOM 1835 CB ASP A 124 107.405 -9.449 2.488 1.00 0.00 C ATOM 1836 CG ASP A 124 106.273 -8.768 3.251 1.00 0.00 C ATOM 1837 OD1 ASP A 124 105.496 -9.472 3.871 1.00 0.00 O ATOM 1838 OD2 ASP A 124 106.202 -7.551 3.203 1.00 0.00 O ATOM 0 H ASP A 124 108.769 -10.002 0.036 1.00 0.00 H new ATOM 0 HA ASP A 124 106.040 -10.378 1.106 1.00 0.00 H new ATOM 0 HB2 ASP A 124 107.706 -10.361 3.004 1.00 0.00 H new ATOM 0 HB3 ASP A 124 108.278 -8.797 2.458 1.00 0.00 H new ATOM 1843 N PHE A 125 105.386 -8.109 0.219 1.00 0.00 N ATOM 1844 CA PHE A 125 105.007 -6.862 -0.447 1.00 0.00 C ATOM 1845 C PHE A 125 104.097 -6.043 0.464 1.00 0.00 C ATOM 1846 O PHE A 125 103.129 -6.577 1.003 1.00 0.00 O ATOM 1847 CB PHE A 125 104.281 -7.169 -1.757 1.00 0.00 C ATOM 1848 CG PHE A 125 105.135 -7.916 -2.754 1.00 0.00 C ATOM 1849 CD1 PHE A 125 105.994 -7.210 -3.608 1.00 0.00 C ATOM 1850 CD2 PHE A 125 105.070 -9.313 -2.825 1.00 0.00 C ATOM 1851 CE1 PHE A 125 106.787 -7.903 -4.530 1.00 0.00 C ATOM 1852 CE2 PHE A 125 105.865 -10.003 -3.749 1.00 0.00 C ATOM 1853 CZ PHE A 125 106.723 -9.300 -4.600 1.00 0.00 C ATOM 0 H PHE A 125 104.604 -8.644 0.596 1.00 0.00 H new ATOM 0 HA PHE A 125 105.909 -6.289 -0.664 1.00 0.00 H new ATOM 0 HB2 PHE A 125 103.389 -7.757 -1.541 1.00 0.00 H new ATOM 0 HB3 PHE A 125 103.945 -6.234 -2.206 1.00 0.00 H new ATOM 0 HD1 PHE A 125 106.044 -6.132 -3.555 1.00 0.00 H new ATOM 0 HD2 PHE A 125 104.408 -9.858 -2.168 1.00 0.00 H new ATOM 0 HE1 PHE A 125 107.449 -7.360 -5.188 1.00 0.00 H new ATOM 0 HE2 PHE A 125 105.815 -11.080 -3.804 1.00 0.00 H new ATOM 0 HZ PHE A 125 107.336 -9.834 -5.311 1.00 0.00 H new ATOM 1863 N SER A 126 104.400 -4.756 0.633 1.00 0.00 N ATOM 1864 CA SER A 126 103.642 -3.930 1.573 1.00 0.00 C ATOM 1865 C SER A 126 103.394 -2.532 1.020 1.00 0.00 C ATOM 1866 O SER A 126 104.150 -2.043 0.184 1.00 0.00 O ATOM 1867 CB SER A 126 104.391 -3.826 2.902 1.00 0.00 C ATOM 1868 OG SER A 126 104.695 -5.134 3.369 1.00 0.00 O ATOM 0 H SER A 126 105.150 -4.270 0.142 1.00 0.00 H new ATOM 0 HA SER A 126 102.676 -4.411 1.729 1.00 0.00 H new ATOM 0 HB2 SER A 126 105.308 -3.250 2.773 1.00 0.00 H new ATOM 0 HB3 SER A 126 103.783 -3.297 3.636 1.00 0.00 H new ATOM 0 HG SER A 126 105.177 -5.074 4.220 1.00 0.00 H new ATOM 1874 N TYR A 127 102.323 -1.898 1.490 1.00 0.00 N ATOM 1875 CA TYR A 127 102.046 -0.504 1.162 1.00 0.00 C ATOM 1876 C TYR A 127 102.049 0.319 2.447 1.00 0.00 C ATOM 1877 O TYR A 127 101.560 -0.141 3.480 1.00 0.00 O ATOM 1878 CB TYR A 127 100.693 -0.389 0.451 1.00 0.00 C ATOM 1879 CG TYR A 127 99.504 -0.726 1.323 1.00 0.00 C ATOM 1880 CD1 TYR A 127 99.034 -2.043 1.389 1.00 0.00 C ATOM 1881 CD2 TYR A 127 98.873 0.279 2.066 1.00 0.00 C ATOM 1882 CE1 TYR A 127 97.934 -2.356 2.197 1.00 0.00 C ATOM 1883 CE2 TYR A 127 97.772 -0.032 2.873 1.00 0.00 C ATOM 1884 CZ TYR A 127 97.303 -1.350 2.938 1.00 0.00 C ATOM 1885 OH TYR A 127 96.219 -1.658 3.734 1.00 0.00 O ATOM 0 H TYR A 127 101.631 -2.330 2.102 1.00 0.00 H new ATOM 0 HA TYR A 127 102.816 -0.124 0.490 1.00 0.00 H new ATOM 0 HB2 TYR A 127 100.578 0.628 0.076 1.00 0.00 H new ATOM 0 HB3 TYR A 127 100.693 -1.050 -0.415 1.00 0.00 H new ATOM 0 HD1 TYR A 127 99.520 -2.819 0.816 1.00 0.00 H new ATOM 0 HD2 TYR A 127 99.236 1.295 2.017 1.00 0.00 H new ATOM 0 HE1 TYR A 127 97.573 -3.373 2.248 1.00 0.00 H new ATOM 0 HE2 TYR A 127 97.285 0.744 3.445 1.00 0.00 H new ATOM 0 HH TYR A 127 95.900 -0.846 4.181 1.00 0.00 H new ATOM 1895 N GLU A 128 102.609 1.524 2.380 1.00 0.00 N ATOM 1896 CA GLU A 128 102.756 2.367 3.561 1.00 0.00 C ATOM 1897 C GLU A 128 102.154 3.746 3.308 1.00 0.00 C ATOM 1898 O GLU A 128 102.354 4.333 2.245 1.00 0.00 O ATOM 1899 CB GLU A 128 104.242 2.504 3.900 1.00 0.00 C ATOM 1900 CG GLU A 128 104.413 3.203 5.254 1.00 0.00 C ATOM 1901 CD GLU A 128 105.893 3.433 5.592 1.00 0.00 C ATOM 1902 OE1 GLU A 128 106.751 3.107 4.784 1.00 0.00 O ATOM 1903 OE2 GLU A 128 106.150 3.938 6.672 1.00 0.00 O ATOM 0 H GLU A 128 102.968 1.938 1.520 1.00 0.00 H new ATOM 0 HA GLU A 128 102.229 1.907 4.397 1.00 0.00 H new ATOM 0 HB2 GLU A 128 104.708 1.519 3.929 1.00 0.00 H new ATOM 0 HB3 GLU A 128 104.749 3.074 3.121 1.00 0.00 H new ATOM 0 HG2 GLU A 128 103.891 4.159 5.238 1.00 0.00 H new ATOM 0 HG3 GLU A 128 103.951 2.600 6.036 1.00 0.00 H new ATOM 1910 N GLN A 129 101.419 4.257 4.291 1.00 0.00 N ATOM 1911 CA GLN A 129 100.764 5.554 4.160 1.00 0.00 C ATOM 1912 C GLN A 129 101.277 6.516 5.225 1.00 0.00 C ATOM 1913 O GLN A 129 101.343 6.168 6.404 1.00 0.00 O ATOM 1914 CB GLN A 129 99.251 5.385 4.311 1.00 0.00 C ATOM 1915 CG GLN A 129 98.550 6.709 4.003 1.00 0.00 C ATOM 1916 CD GLN A 129 98.549 6.962 2.500 1.00 0.00 C ATOM 1917 OE1 GLN A 129 97.949 6.199 1.741 1.00 0.00 O ATOM 1918 NE2 GLN A 129 99.186 7.996 2.019 1.00 0.00 N ATOM 0 H GLN A 129 101.262 3.793 5.186 1.00 0.00 H new ATOM 0 HA GLN A 129 100.990 5.963 3.175 1.00 0.00 H new ATOM 0 HB2 GLN A 129 98.893 4.608 3.636 1.00 0.00 H new ATOM 0 HB3 GLN A 129 99.011 5.063 5.324 1.00 0.00 H new ATOM 0 HG2 GLN A 129 97.526 6.683 4.376 1.00 0.00 H new ATOM 0 HG3 GLN A 129 99.056 7.526 4.517 1.00 0.00 H new ATOM 0 HE21 GLN A 129 99.682 8.627 2.648 1.00 0.00 H new ATOM 0 HE22 GLN A 129 99.187 8.172 1.014 1.00 0.00 H new ATOM 1927 N SER A 130 101.654 7.713 4.790 1.00 0.00 N ATOM 1928 CA SER A 130 102.050 8.779 5.700 1.00 0.00 C ATOM 1929 C SER A 130 100.955 9.833 5.712 1.00 0.00 C ATOM 1930 O SER A 130 100.455 10.204 4.645 1.00 0.00 O ATOM 1931 CB SER A 130 103.373 9.413 5.270 1.00 0.00 C ATOM 1932 OG SER A 130 103.913 10.147 6.360 1.00 0.00 O ATOM 0 H SER A 130 101.693 7.970 3.804 1.00 0.00 H new ATOM 0 HA SER A 130 102.191 8.361 6.697 1.00 0.00 H new ATOM 0 HB2 SER A 130 104.074 8.641 4.952 1.00 0.00 H new ATOM 0 HB3 SER A 130 103.214 10.071 4.415 1.00 0.00 H new ATOM 0 HG SER A 130 104.763 10.555 6.091 1.00 0.00 H new ATOM 1938 N ARG A 131 100.733 10.436 6.876 1.00 0.00 N ATOM 1939 CA ARG A 131 99.483 11.127 7.174 1.00 0.00 C ATOM 1940 C ARG A 131 99.592 12.579 6.737 1.00 0.00 C ATOM 1941 O ARG A 131 100.661 13.185 6.812 1.00 0.00 O ATOM 1942 CB ARG A 131 99.185 11.059 8.673 1.00 0.00 C ATOM 1943 CG ARG A 131 97.801 11.644 8.948 1.00 0.00 C ATOM 1944 CD ARG A 131 97.470 11.500 10.435 1.00 0.00 C ATOM 1945 NE ARG A 131 98.329 12.382 11.232 1.00 0.00 N ATOM 1946 CZ ARG A 131 97.980 12.870 12.432 1.00 0.00 C ATOM 1947 NH1 ARG A 131 96.825 12.593 12.989 1.00 0.00 N ATOM 1948 NH2 ARG A 131 98.816 13.645 13.065 1.00 0.00 N ATOM 0 H ARG A 131 101.412 10.459 7.637 1.00 0.00 H new ATOM 0 HA ARG A 131 98.670 10.643 6.633 1.00 0.00 H new ATOM 0 HB2 ARG A 131 99.229 10.025 9.016 1.00 0.00 H new ATOM 0 HB3 ARG A 131 99.942 11.612 9.230 1.00 0.00 H new ATOM 0 HG2 ARG A 131 97.775 12.695 8.659 1.00 0.00 H new ATOM 0 HG3 ARG A 131 97.051 11.130 8.347 1.00 0.00 H new ATOM 0 HD2 ARG A 131 96.423 11.747 10.608 1.00 0.00 H new ATOM 0 HD3 ARG A 131 97.609 10.465 10.748 1.00 0.00 H new ATOM 0 HE ARG A 131 99.241 12.638 10.854 1.00 0.00 H new ATOM 0 HH11 ARG A 131 96.159 11.989 12.508 1.00 0.00 H new ATOM 0 HH12 ARG A 131 96.593 12.982 13.903 1.00 0.00 H new ATOM 0 HH21 ARG A 131 99.718 13.871 12.647 1.00 0.00 H new ATOM 0 HH22 ARG A 131 98.568 14.025 13.978 1.00 0.00 H new ATOM 1962 N ILE A 132 98.473 13.131 6.281 1.00 0.00 N ATOM 1963 CA ILE A 132 98.516 14.134 5.229 1.00 0.00 C ATOM 1964 C ILE A 132 98.690 15.566 5.750 1.00 0.00 C ATOM 1965 O ILE A 132 97.777 16.224 6.246 1.00 0.00 O ATOM 1966 CB ILE A 132 97.247 14.017 4.367 1.00 0.00 C ATOM 1967 CG1 ILE A 132 97.330 14.981 3.177 1.00 0.00 C ATOM 1968 CG2 ILE A 132 95.988 14.329 5.187 1.00 0.00 C ATOM 1969 CD1 ILE A 132 96.402 14.500 2.061 1.00 0.00 C ATOM 0 H ILE A 132 97.538 12.904 6.619 1.00 0.00 H new ATOM 0 HA ILE A 132 99.402 13.933 4.627 1.00 0.00 H new ATOM 0 HB ILE A 132 97.181 12.990 4.007 1.00 0.00 H new ATOM 0 HG12 ILE A 132 97.048 15.986 3.490 1.00 0.00 H new ATOM 0 HG13 ILE A 132 98.356 15.037 2.812 1.00 0.00 H new ATOM 0 HG21 ILE A 132 95.108 14.238 4.551 1.00 0.00 H new ATOM 0 HG22 ILE A 132 95.911 13.626 6.016 1.00 0.00 H new ATOM 0 HG23 ILE A 132 96.050 15.345 5.577 1.00 0.00 H new ATOM 0 HD11 ILE A 132 96.462 15.186 1.216 1.00 0.00 H new ATOM 0 HD12 ILE A 132 96.704 13.503 1.741 1.00 0.00 H new ATOM 0 HD13 ILE A 132 95.377 14.467 2.429 1.00 0.00 H new ATOM 1981 N ARG A 133 99.942 15.993 5.634 1.00 0.00 N ATOM 1982 CA ARG A 133 100.324 17.398 5.597 1.00 0.00 C ATOM 1983 C ARG A 133 100.299 17.822 4.116 1.00 0.00 C ATOM 1984 O ARG A 133 99.892 17.034 3.251 1.00 0.00 O ATOM 1985 CB ARG A 133 101.730 17.563 6.192 1.00 0.00 C ATOM 1986 CG ARG A 133 101.847 18.890 6.949 1.00 0.00 C ATOM 1987 CD ARG A 133 101.136 18.766 8.298 1.00 0.00 C ATOM 1988 NE ARG A 133 101.169 20.048 9.009 1.00 0.00 N ATOM 1989 CZ ARG A 133 100.341 20.355 10.020 1.00 0.00 C ATOM 1990 NH1 ARG A 133 99.435 19.516 10.460 1.00 0.00 N ATOM 1991 NH2 ARG A 133 100.443 21.528 10.583 1.00 0.00 N ATOM 0 H ARG A 133 100.737 15.357 5.562 1.00 0.00 H new ATOM 0 HA ARG A 133 99.645 18.018 6.182 1.00 0.00 H new ATOM 0 HB2 ARG A 133 101.944 16.734 6.867 1.00 0.00 H new ATOM 0 HB3 ARG A 133 102.474 17.526 5.396 1.00 0.00 H new ATOM 0 HG2 ARG A 133 102.896 19.145 7.100 1.00 0.00 H new ATOM 0 HG3 ARG A 133 101.404 19.696 6.364 1.00 0.00 H new ATOM 0 HD2 ARG A 133 100.103 18.453 8.145 1.00 0.00 H new ATOM 0 HD3 ARG A 133 101.616 17.995 8.901 1.00 0.00 H new ATOM 0 HE ARG A 133 101.857 20.743 8.720 1.00 0.00 H new ATOM 0 HH11 ARG A 133 99.342 18.595 10.032 1.00 0.00 H new ATOM 0 HH12 ARG A 133 98.823 19.784 11.231 1.00 0.00 H new ATOM 0 HH21 ARG A 133 101.143 22.193 10.253 1.00 0.00 H new ATOM 0 HH22 ARG A 133 99.823 21.780 11.353 1.00 0.00 H new ATOM 2005 N SER A 134 100.679 19.060 3.802 1.00 0.00 N ATOM 2006 CA SER A 134 100.568 19.551 2.423 1.00 0.00 C ATOM 2007 C SER A 134 101.235 18.599 1.410 1.00 0.00 C ATOM 2008 O SER A 134 100.998 18.726 0.208 1.00 0.00 O ATOM 2009 CB SER A 134 101.214 20.931 2.316 1.00 0.00 C ATOM 2010 OG SER A 134 101.004 21.446 1.008 1.00 0.00 O ATOM 0 H SER A 134 101.060 19.733 4.467 1.00 0.00 H new ATOM 0 HA SER A 134 99.507 19.606 2.181 1.00 0.00 H new ATOM 0 HB2 SER A 134 100.785 21.605 3.058 1.00 0.00 H new ATOM 0 HB3 SER A 134 102.281 20.863 2.526 1.00 0.00 H new ATOM 0 HG SER A 134 100.800 20.709 0.395 1.00 0.00 H new ATOM 2016 N VAL A 135 102.059 17.654 1.874 1.00 0.00 N ATOM 2017 CA VAL A 135 102.517 16.553 1.029 1.00 0.00 C ATOM 2018 C VAL A 135 102.123 15.211 1.662 1.00 0.00 C ATOM 2019 O VAL A 135 102.333 14.998 2.858 1.00 0.00 O ATOM 2020 CB VAL A 135 104.037 16.639 0.844 1.00 0.00 C ATOM 2021 CG1 VAL A 135 104.743 16.511 2.198 1.00 0.00 C ATOM 2022 CG2 VAL A 135 104.511 15.517 -0.084 1.00 0.00 C ATOM 0 H VAL A 135 102.420 17.632 2.828 1.00 0.00 H new ATOM 0 HA VAL A 135 102.043 16.626 0.050 1.00 0.00 H new ATOM 0 HB VAL A 135 104.282 17.605 0.403 1.00 0.00 H new ATOM 0 HG11 VAL A 135 105.822 16.574 2.053 1.00 0.00 H new ATOM 0 HG12 VAL A 135 104.418 17.317 2.856 1.00 0.00 H new ATOM 0 HG13 VAL A 135 104.493 15.551 2.650 1.00 0.00 H new ATOM 0 HG21 VAL A 135 105.591 15.583 -0.212 1.00 0.00 H new ATOM 0 HG22 VAL A 135 104.255 14.551 0.352 1.00 0.00 H new ATOM 0 HG23 VAL A 135 104.024 15.617 -1.054 1.00 0.00 H new ATOM 2032 N ASP A 136 101.552 14.314 0.859 1.00 0.00 N ATOM 2033 CA ASP A 136 101.115 13.004 1.347 1.00 0.00 C ATOM 2034 C ASP A 136 101.932 11.895 0.688 1.00 0.00 C ATOM 2035 O ASP A 136 102.206 11.964 -0.510 1.00 0.00 O ATOM 2036 CB ASP A 136 99.632 12.796 1.031 1.00 0.00 C ATOM 2037 CG ASP A 136 99.132 11.515 1.691 1.00 0.00 C ATOM 2038 OD1 ASP A 136 99.211 10.475 1.058 1.00 0.00 O ATOM 2039 OD2 ASP A 136 98.678 11.592 2.821 1.00 0.00 O ATOM 0 H ASP A 136 101.380 14.470 -0.134 1.00 0.00 H new ATOM 0 HA ASP A 136 101.266 12.968 2.426 1.00 0.00 H new ATOM 0 HB2 ASP A 136 99.053 13.648 1.387 1.00 0.00 H new ATOM 0 HB3 ASP A 136 99.486 12.740 -0.048 1.00 0.00 H new ATOM 2044 N VAL A 137 102.322 10.871 1.454 1.00 0.00 N ATOM 2045 CA VAL A 137 103.244 9.856 0.925 1.00 0.00 C ATOM 2046 C VAL A 137 102.537 8.525 0.677 1.00 0.00 C ATOM 2047 O VAL A 137 101.788 8.040 1.524 1.00 0.00 O ATOM 2048 CB VAL A 137 104.423 9.624 1.879 1.00 0.00 C ATOM 2049 CG1 VAL A 137 105.461 8.726 1.199 1.00 0.00 C ATOM 2050 CG2 VAL A 137 105.087 10.955 2.248 1.00 0.00 C ATOM 0 H VAL A 137 102.024 10.722 2.418 1.00 0.00 H new ATOM 0 HA VAL A 137 103.617 10.241 -0.024 1.00 0.00 H new ATOM 0 HB VAL A 137 104.047 9.148 2.785 1.00 0.00 H new ATOM 0 HG11 VAL A 137 106.299 8.561 1.876 1.00 0.00 H new ATOM 0 HG12 VAL A 137 105.005 7.769 0.946 1.00 0.00 H new ATOM 0 HG13 VAL A 137 105.819 9.208 0.290 1.00 0.00 H new ATOM 0 HG21 VAL A 137 105.921 10.770 2.925 1.00 0.00 H new ATOM 0 HG22 VAL A 137 105.454 11.441 1.344 1.00 0.00 H new ATOM 0 HG23 VAL A 137 104.359 11.602 2.737 1.00 0.00 H new ATOM 2060 N GLY A 138 102.788 7.940 -0.492 1.00 0.00 N ATOM 2061 CA GLY A 138 102.346 6.579 -0.779 1.00 0.00 C ATOM 2062 C GLY A 138 103.549 5.746 -1.207 1.00 0.00 C ATOM 2063 O GLY A 138 104.211 6.084 -2.185 1.00 0.00 O ATOM 0 H GLY A 138 103.295 8.388 -1.255 1.00 0.00 H new ATOM 0 HA2 GLY A 138 101.879 6.141 0.103 1.00 0.00 H new ATOM 0 HA3 GLY A 138 101.593 6.586 -1.567 1.00 0.00 H new ATOM 2067 N THR A 139 103.850 4.672 -0.474 1.00 0.00 N ATOM 2068 CA THR A 139 105.056 3.892 -0.747 1.00 0.00 C ATOM 2069 C THR A 139 104.723 2.417 -0.947 1.00 0.00 C ATOM 2070 O THR A 139 103.958 1.839 -0.182 1.00 0.00 O ATOM 2071 CB THR A 139 106.037 4.035 0.418 1.00 0.00 C ATOM 2072 OG1 THR A 139 106.262 5.415 0.677 1.00 0.00 O ATOM 2073 CG2 THR A 139 107.364 3.362 0.061 1.00 0.00 C ATOM 0 H THR A 139 103.284 4.327 0.302 1.00 0.00 H new ATOM 0 HA THR A 139 105.507 4.273 -1.663 1.00 0.00 H new ATOM 0 HB THR A 139 105.618 3.558 1.304 1.00 0.00 H new ATOM 0 HG1 THR A 139 106.889 5.510 1.424 1.00 0.00 H new ATOM 0 HG21 THR A 139 108.060 3.466 0.893 1.00 0.00 H new ATOM 0 HG22 THR A 139 107.193 2.304 -0.139 1.00 0.00 H new ATOM 0 HG23 THR A 139 107.785 3.836 -0.826 1.00 0.00 H new ATOM 2081 N TRP A 140 105.300 1.824 -1.988 1.00 0.00 N ATOM 2082 CA TRP A 140 105.152 0.389 -2.226 1.00 0.00 C ATOM 2083 C TRP A 140 106.521 -0.275 -2.141 1.00 0.00 C ATOM 2084 O TRP A 140 107.472 0.206 -2.755 1.00 0.00 O ATOM 2085 CB TRP A 140 104.548 0.145 -3.610 1.00 0.00 C ATOM 2086 CG TRP A 140 104.232 -1.292 -3.874 1.00 0.00 C ATOM 2087 CD1 TRP A 140 104.999 -2.133 -4.604 1.00 0.00 C ATOM 2088 CD2 TRP A 140 103.080 -2.069 -3.431 1.00 0.00 C ATOM 2089 NE1 TRP A 140 104.397 -3.377 -4.634 1.00 0.00 N ATOM 2090 CE2 TRP A 140 103.211 -3.388 -3.928 1.00 0.00 C ATOM 2091 CE3 TRP A 140 101.950 -1.761 -2.656 1.00 0.00 C ATOM 2092 CZ2 TRP A 140 102.250 -4.368 -3.662 1.00 0.00 C ATOM 2093 CZ3 TRP A 140 100.983 -2.743 -2.388 1.00 0.00 C ATOM 2094 CH2 TRP A 140 101.133 -4.044 -2.887 1.00 0.00 C ATOM 0 H TRP A 140 105.872 2.311 -2.678 1.00 0.00 H new ATOM 0 HA TRP A 140 104.488 -0.035 -1.473 1.00 0.00 H new ATOM 0 HB2 TRP A 140 103.636 0.734 -3.710 1.00 0.00 H new ATOM 0 HB3 TRP A 140 105.243 0.502 -4.370 1.00 0.00 H new ATOM 0 HD1 TRP A 140 105.931 -1.875 -5.085 1.00 0.00 H new ATOM 0 HE1 TRP A 140 104.782 -4.188 -5.119 1.00 0.00 H new ATOM 0 HE3 TRP A 140 101.824 -0.763 -2.264 1.00 0.00 H new ATOM 0 HZ2 TRP A 140 102.370 -5.368 -4.052 1.00 0.00 H new ATOM 0 HZ3 TRP A 140 100.117 -2.494 -1.793 1.00 0.00 H new ATOM 0 HH2 TRP A 140 100.387 -4.795 -2.673 1.00 0.00 H new ATOM 2105 N ILE A 141 106.626 -1.364 -1.378 1.00 0.00 N ATOM 2106 CA ILE A 141 107.917 -2.017 -1.171 1.00 0.00 C ATOM 2107 C ILE A 141 107.847 -3.491 -1.553 1.00 0.00 C ATOM 2108 O ILE A 141 106.825 -4.145 -1.347 1.00 0.00 O ATOM 2109 CB ILE A 141 108.341 -1.889 0.301 1.00 0.00 C ATOM 2110 CG1 ILE A 141 107.299 -2.562 1.221 1.00 0.00 C ATOM 2111 CG2 ILE A 141 108.495 -0.407 0.667 1.00 0.00 C ATOM 2112 CD1 ILE A 141 107.685 -4.017 1.516 1.00 0.00 C ATOM 0 H ILE A 141 105.842 -1.807 -0.899 1.00 0.00 H new ATOM 0 HA ILE A 141 108.653 -1.525 -1.807 1.00 0.00 H new ATOM 0 HB ILE A 141 109.298 -2.392 0.440 1.00 0.00 H new ATOM 0 HG12 ILE A 141 107.221 -2.006 2.155 1.00 0.00 H new ATOM 0 HG13 ILE A 141 106.317 -2.531 0.748 1.00 0.00 H new ATOM 0 HG21 ILE A 141 108.796 -0.319 1.711 1.00 0.00 H new ATOM 0 HG22 ILE A 141 109.255 0.048 0.031 1.00 0.00 H new ATOM 0 HG23 ILE A 141 107.544 0.105 0.519 1.00 0.00 H new ATOM 0 HD11 ILE A 141 106.935 -4.468 2.166 1.00 0.00 H new ATOM 0 HD12 ILE A 141 107.739 -4.576 0.582 1.00 0.00 H new ATOM 0 HD13 ILE A 141 108.656 -4.043 2.011 1.00 0.00 H new ATOM 2124 N ALA A 142 108.947 -3.998 -2.100 1.00 0.00 N ATOM 2125 CA ALA A 142 109.076 -5.422 -2.379 1.00 0.00 C ATOM 2126 C ALA A 142 110.444 -5.895 -1.907 1.00 0.00 C ATOM 2127 O ALA A 142 111.462 -5.306 -2.268 1.00 0.00 O ATOM 2128 CB ALA A 142 108.925 -5.684 -3.878 1.00 0.00 C ATOM 0 H ALA A 142 109.762 -3.442 -2.359 1.00 0.00 H new ATOM 0 HA ALA A 142 108.293 -5.967 -1.852 1.00 0.00 H new ATOM 0 HB1 ALA A 142 109.024 -6.752 -4.072 1.00 0.00 H new ATOM 0 HB2 ALA A 142 107.944 -5.344 -4.210 1.00 0.00 H new ATOM 0 HB3 ALA A 142 109.700 -5.143 -4.422 1.00 0.00 H new ATOM 2134 N GLY A 143 110.469 -6.948 -1.090 1.00 0.00 N ATOM 2135 CA GLY A 143 111.723 -7.412 -0.505 1.00 0.00 C ATOM 2136 C GLY A 143 111.848 -8.929 -0.576 1.00 0.00 C ATOM 2137 O GLY A 143 110.850 -9.645 -0.583 1.00 0.00 O ATOM 0 H GLY A 143 109.646 -7.488 -0.822 1.00 0.00 H new ATOM 0 HA2 GLY A 143 112.561 -6.952 -1.029 1.00 0.00 H new ATOM 0 HA3 GLY A 143 111.781 -7.090 0.535 1.00 0.00 H new ATOM 2141 N VAL A 144 113.094 -9.397 -0.606 1.00 0.00 N ATOM 2142 CA VAL A 144 113.381 -10.824 -0.665 1.00 0.00 C ATOM 2143 C VAL A 144 114.371 -11.181 0.441 1.00 0.00 C ATOM 2144 O VAL A 144 115.288 -10.406 0.719 1.00 0.00 O ATOM 2145 CB VAL A 144 113.955 -11.158 -2.047 1.00 0.00 C ATOM 2146 CG1 VAL A 144 115.251 -10.376 -2.281 1.00 0.00 C ATOM 2147 CG2 VAL A 144 114.248 -12.656 -2.142 1.00 0.00 C ATOM 0 H VAL A 144 113.923 -8.803 -0.590 1.00 0.00 H new ATOM 0 HA VAL A 144 112.471 -11.405 -0.515 1.00 0.00 H new ATOM 0 HB VAL A 144 113.222 -10.881 -2.805 1.00 0.00 H new ATOM 0 HG11 VAL A 144 115.651 -10.620 -3.265 1.00 0.00 H new ATOM 0 HG12 VAL A 144 115.045 -9.307 -2.228 1.00 0.00 H new ATOM 0 HG13 VAL A 144 115.980 -10.644 -1.517 1.00 0.00 H new ATOM 0 HG21 VAL A 144 114.655 -12.885 -3.127 1.00 0.00 H new ATOM 0 HG22 VAL A 144 114.972 -12.934 -1.376 1.00 0.00 H new ATOM 0 HG23 VAL A 144 113.326 -13.217 -1.991 1.00 0.00 H new ATOM 2157 N GLY A 145 114.169 -12.327 1.091 1.00 0.00 N ATOM 2158 CA GLY A 145 115.008 -12.691 2.226 1.00 0.00 C ATOM 2159 C GLY A 145 115.067 -14.199 2.459 1.00 0.00 C ATOM 2160 O GLY A 145 114.419 -14.980 1.756 1.00 0.00 O ATOM 0 H GLY A 145 113.445 -13.006 0.855 1.00 0.00 H new ATOM 0 HA2 GLY A 145 116.017 -12.314 2.062 1.00 0.00 H new ATOM 0 HA3 GLY A 145 114.628 -12.204 3.124 1.00 0.00 H new ATOM 2164 N TYR A 146 115.856 -14.576 3.464 1.00 0.00 N ATOM 2165 CA TYR A 146 115.982 -15.970 3.873 1.00 0.00 C ATOM 2166 C TYR A 146 115.971 -16.075 5.398 1.00 0.00 C ATOM 2167 O TYR A 146 116.159 -15.075 6.094 1.00 0.00 O ATOM 2168 CB TYR A 146 117.275 -16.575 3.314 1.00 0.00 C ATOM 2169 CG TYR A 146 118.540 -15.995 3.909 1.00 0.00 C ATOM 2170 CD1 TYR A 146 119.092 -14.824 3.378 1.00 0.00 C ATOM 2171 CD2 TYR A 146 119.158 -16.631 4.992 1.00 0.00 C ATOM 2172 CE1 TYR A 146 120.262 -14.288 3.928 1.00 0.00 C ATOM 2173 CE2 TYR A 146 120.328 -16.096 5.542 1.00 0.00 C ATOM 2174 CZ TYR A 146 120.880 -14.925 5.010 1.00 0.00 C ATOM 2175 OH TYR A 146 122.034 -14.397 5.554 1.00 0.00 O ATOM 0 H TYR A 146 116.421 -13.928 4.013 1.00 0.00 H new ATOM 0 HA TYR A 146 115.134 -16.527 3.474 1.00 0.00 H new ATOM 0 HB2 TYR A 146 117.265 -17.651 3.489 1.00 0.00 H new ATOM 0 HB3 TYR A 146 117.294 -16.428 2.234 1.00 0.00 H new ATOM 0 HD1 TYR A 146 118.615 -14.333 2.543 1.00 0.00 H new ATOM 0 HD2 TYR A 146 118.732 -17.534 5.403 1.00 0.00 H new ATOM 0 HE1 TYR A 146 120.687 -13.384 3.518 1.00 0.00 H new ATOM 0 HE2 TYR A 146 120.805 -16.587 6.377 1.00 0.00 H new ATOM 0 HH TYR A 146 122.332 -14.960 6.298 1.00 0.00 H new ATOM 2185 N ARG A 147 115.770 -17.290 5.903 1.00 0.00 N ATOM 2186 CA ARG A 147 115.682 -17.526 7.345 1.00 0.00 C ATOM 2187 C ARG A 147 116.743 -18.525 7.802 1.00 0.00 C ATOM 2188 O ARG A 147 117.149 -19.407 7.044 1.00 0.00 O ATOM 2189 CB ARG A 147 114.281 -18.037 7.718 1.00 0.00 C ATOM 2190 CG ARG A 147 113.908 -19.258 6.867 1.00 0.00 C ATOM 2191 CD ARG A 147 112.459 -19.662 7.145 1.00 0.00 C ATOM 2192 NE ARG A 147 112.279 -19.996 8.561 1.00 0.00 N ATOM 2193 CZ ARG A 147 111.324 -20.825 9.010 1.00 0.00 C ATOM 2194 NH1 ARG A 147 110.464 -21.403 8.205 1.00 0.00 N ATOM 2195 NH2 ARG A 147 111.245 -21.063 10.291 1.00 0.00 N ATOM 0 H ARG A 147 115.664 -18.130 5.334 1.00 0.00 H new ATOM 0 HA ARG A 147 115.862 -16.579 7.854 1.00 0.00 H new ATOM 0 HB2 ARG A 147 114.254 -18.302 8.775 1.00 0.00 H new ATOM 0 HB3 ARG A 147 113.547 -17.245 7.569 1.00 0.00 H new ATOM 0 HG2 ARG A 147 114.034 -19.027 5.809 1.00 0.00 H new ATOM 0 HG3 ARG A 147 114.576 -20.089 7.094 1.00 0.00 H new ATOM 0 HD2 ARG A 147 111.789 -18.847 6.870 1.00 0.00 H new ATOM 0 HD3 ARG A 147 112.190 -20.518 6.527 1.00 0.00 H new ATOM 0 HE ARG A 147 112.913 -19.576 9.241 1.00 0.00 H new ATOM 0 HH11 ARG A 147 110.508 -21.228 7.201 1.00 0.00 H new ATOM 0 HH12 ARG A 147 109.752 -22.027 8.583 1.00 0.00 H new ATOM 0 HH21 ARG A 147 111.903 -20.621 10.933 1.00 0.00 H new ATOM 0 HH22 ARG A 147 110.525 -21.690 10.650 1.00 0.00 H new ATOM 2209 N PHE A 148 117.203 -18.360 9.045 1.00 0.00 N ATOM 2210 CA PHE A 148 118.297 -19.159 9.610 1.00 0.00 C ATOM 2211 C PHE A 148 119.439 -19.376 8.612 1.00 0.00 C ATOM 2212 O PHE A 148 120.249 -20.257 8.849 1.00 0.00 O ATOM 2213 CB PHE A 148 117.788 -20.507 10.137 1.00 0.00 C ATOM 2214 CG PHE A 148 117.442 -21.524 9.071 1.00 0.00 C ATOM 2215 CD1 PHE A 148 116.148 -21.581 8.545 1.00 0.00 C ATOM 2216 CD2 PHE A 148 118.424 -22.412 8.611 1.00 0.00 C ATOM 2217 CE1 PHE A 148 115.832 -22.524 7.560 1.00 0.00 C ATOM 2218 CE2 PHE A 148 118.109 -23.354 7.626 1.00 0.00 C ATOM 2219 CZ PHE A 148 116.813 -23.410 7.100 1.00 0.00 C ATOM 2220 OXT PHE A 148 119.482 -18.654 7.627 1.00 0.00 O ATOM 0 H PHE A 148 116.827 -17.666 9.691 1.00 0.00 H new ATOM 0 HA PHE A 148 118.697 -18.585 10.446 1.00 0.00 H new ATOM 0 HB2 PHE A 148 118.548 -20.934 10.791 1.00 0.00 H new ATOM 0 HB3 PHE A 148 116.903 -20.330 10.749 1.00 0.00 H new ATOM 0 HD1 PHE A 148 115.391 -20.897 8.899 1.00 0.00 H new ATOM 0 HD2 PHE A 148 119.424 -22.369 9.017 1.00 0.00 H new ATOM 0 HE1 PHE A 148 114.832 -22.568 7.155 1.00 0.00 H new ATOM 0 HE2 PHE A 148 118.866 -24.038 7.271 1.00 0.00 H new ATOM 0 HZ PHE A 148 116.570 -24.137 6.339 1.00 0.00 H new TER 2230 PHE A 148