USER MOD reduce.3.24.130724 H: found=0, std=0, add=1109, rem=0, adj=53 USER MOD reduce.3.24.130724 removed 1109 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 25 SER OG : rot -33:sc= 0.798 USER MOD Set 1.2: A 143 LYS NZ :NH3+ 142:sc= 0.911 (180deg=0) USER MOD Set 2.1: A 27 ASN : amide:sc= 0.658 K(o=0.25,f=-2.2) USER MOD Set 2.2: A 29 ASN : amide:sc= -0.411 K(o=0.25,f=-4.3!) USER MOD Set 3.1: A 7 ASN :FLIP amide:sc= 0.432 F(o=1.5,f=2.6) USER MOD Set 3.2: A 36 TYR OH : rot -42:sc= 0.467 USER MOD Set 3.3: A 38 ASN : amide:sc= -0.0254 K(o=2.6,f=1.9) USER MOD Set 3.4: A 57 SER OG : rot 170:sc= 0.728 USER MOD Set 3.5: A 59 THR OG1 : rot -94:sc= 1.17 USER MOD Set 3.6: A 62 ASN : amide:sc= -0.168 K(o=2.6,f=-1.5) USER MOD Set 4.1: A 6 THR OG1 : rot 125:sc= 0.715 USER MOD Set 4.2: A 9 GLN : amide:sc= 0 K(o=0.72,f=-0.02) USER MOD Single : A 5 MET CE :methyl -158:sc= -1.41 (180deg=-3.47) USER MOD Single : A 12 LYS NZ :NH3+ 156:sc=-0.00062 (180deg=-0.322) USER MOD Single : A 13 LYS NZ :NH3+ 156:sc= -0.101 (180deg=-0.902) USER MOD Single : A 15 LYS NZ :NH3+ -175:sc= 1.26 (180deg=1.17) USER MOD Single : A 17 SER OG : rot 84:sc= 0.487 USER MOD Single : A 21 SER OG : rot 35:sc= 0.433 USER MOD Single : A 22 ASN : amide:sc= -0.229 X(o=-0.23,f=-0.29) USER MOD Single : A 33 THR OG1 : rot 62:sc= 0.13 USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.379 USER MOD Single : A 39 LYS NZ :NH3+ -177:sc= -0.0321 (180deg=-0.0581) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0.0824 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 56:sc= 0.959 USER MOD Single : A 44 SER OG : rot 83:sc= 0.728 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 12:sc= -0.0245! USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= -0.491 X(o=-0.49,f=-0.51) USER MOD Single : A 52 ASN : amide:sc= 0.714 K(o=0.71,f=-0.059) USER MOD Single : A 53 ASN : amide:sc= -0.211 K(o=-0.21,f=-2.8!) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot -46:sc= 1.26 USER MOD Single : A 64 SER OG : rot -41:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ -165:sc= -0.0535 (180deg=-0.34) USER MOD Single : A 73 LYS NZ :NH3+ 167:sc= 2.63 (180deg=2.06) USER MOD Single : A 75 ASN : amide:sc= -0.344 X(o=-0.34,f=0) USER MOD Single : A 78 SER OG : rot 180:sc= 0.0603 USER MOD Single : A 82 ASN : amide:sc= -0.111 X(o=-0.11,f=0) USER MOD Single : A 83 THR OG1 : rot 177:sc= 0.798 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 14:sc= 0.0616 USER MOD Single : A 90 SER OG : rot -29:sc= 1.25 USER MOD Single : A 92 LYS NZ :NH3+ -171:sc= -0.0083 (180deg=-0.104) USER MOD Single : A 93 THR OG1 : rot 84:sc= -0.215 USER MOD Single : A 95 THR OG1 : rot 179:sc= 0.966 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ -165:sc= -0.119 (180deg=-0.433) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 THR OG1 : rot 180:sc= -0.162 USER MOD Single : A 108 GLN : amide:sc= 0.299 K(o=0.3,f=-3.5!) USER MOD Single : A 109 THR OG1 : rot 102:sc= 1.28 USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD Single : A 113 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 114 CYS SG : rot 1:sc= 0.0061 USER MOD Single : A 115 ASN : amide:sc= -0.231 X(o=-0.23,f=0) USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 120 ASN : amide:sc= -0.0522 X(o=-0.052,f=-0.38) USER MOD Single : A 121 THR OG1 : rot 180:sc= -0.571 USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 126 SER OG : rot 180:sc=-0.000593 USER MOD Single : A 128 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.023) USER MOD Single : A 134 THR OG1 : rot 180:sc= 0 USER MOD Single : A 135 SER OG : rot 180:sc= 0 USER MOD Single : A 137 ASN : amide:sc= -0.495 K(o=-0.49,f=-1.1) USER MOD Single : A 139 THR OG1 : rot 180:sc= 0 USER MOD Single : A 140 THR OG1 : rot 22:sc= 0.189 USER MOD Single : A 142 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 148 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 150 THR OG1 : rot 180:sc= -0.0215 USER MOD ----------------------------------------------------------------- ATOM 60 N MET A 5 18.662 -2.412 3.686 1.00 22.13 N ATOM 61 CA MET A 5 17.618 -3.393 3.425 1.00 12.14 C ATOM 62 C MET A 5 17.755 -3.856 1.979 1.00 62.05 C ATOM 63 O MET A 5 18.577 -3.310 1.237 1.00 22.13 O ATOM 64 CB MET A 5 16.246 -2.794 3.793 1.00 31.31 C ATOM 65 CG MET A 5 15.523 -2.050 2.668 1.00 63.30 C ATOM 66 SD MET A 5 16.445 -0.723 1.852 1.00 12.33 S ATOM 67 CE MET A 5 15.088 -0.163 0.803 1.00 41.44 C ATOM 0 HA MET A 5 17.716 -4.283 4.047 1.00 12.14 H new ATOM 0 HB2 MET A 5 15.601 -3.599 4.144 1.00 31.31 H new ATOM 0 HB3 MET A 5 16.382 -2.108 4.629 1.00 31.31 H new ATOM 0 HG2 MET A 5 15.231 -2.778 1.911 1.00 63.30 H new ATOM 0 HG3 MET A 5 14.604 -1.627 3.075 1.00 63.30 H new ATOM 0 HE1 MET A 5 15.490 0.375 -0.056 1.00 41.44 H new ATOM 0 HE2 MET A 5 14.516 -1.024 0.457 1.00 41.44 H new ATOM 0 HE3 MET A 5 14.437 0.499 1.373 1.00 41.44 H new ATOM 77 N THR A 6 16.982 -4.851 1.570 1.00 2.21 N ATOM 78 CA THR A 6 16.823 -5.213 0.171 1.00 73.31 C ATOM 79 C THR A 6 15.323 -5.228 -0.120 1.00 52.14 C ATOM 80 O THR A 6 14.525 -4.933 0.781 1.00 73.23 O ATOM 81 CB THR A 6 17.552 -6.534 -0.123 1.00 1.13 C ATOM 82 OG1 THR A 6 16.916 -7.636 0.474 1.00 31.11 O ATOM 83 CG2 THR A 6 18.992 -6.515 0.401 1.00 23.24 C ATOM 0 H THR A 6 16.442 -5.436 2.208 1.00 2.21 H new ATOM 0 HA THR A 6 17.285 -4.492 -0.504 1.00 73.31 H new ATOM 0 HB THR A 6 17.537 -6.633 -1.208 1.00 1.13 H new ATOM 0 HG1 THR A 6 16.717 -8.309 -0.210 1.00 31.11 H new ATOM 0 HG21 THR A 6 19.474 -7.466 0.174 1.00 23.24 H new ATOM 0 HG22 THR A 6 19.543 -5.705 -0.078 1.00 23.24 H new ATOM 0 HG23 THR A 6 18.985 -6.360 1.480 1.00 23.24 H new ATOM 91 N ASN A 7 14.916 -5.588 -1.345 1.00 52.42 N ATOM 92 CA ASN A 7 13.487 -5.701 -1.659 1.00 13.51 C ATOM 93 C ASN A 7 12.845 -6.678 -0.681 1.00 0.42 C ATOM 94 O ASN A 7 11.795 -6.358 -0.136 1.00 13.35 O ATOM 95 CB ASN A 7 13.227 -6.176 -3.095 1.00 44.53 C ATOM 96 CG ASN A 7 13.404 -5.128 -4.178 1.00 52.32 C ATOM 97 OD1 ASN A 7 14.214 -4.115 -3.948 1.00 75.23 O flip ATOM 98 ND2 ASN A 7 12.908 -5.270 -5.286 1.00 74.13 N flip ATOM 0 H ASN A 7 15.543 -5.802 -2.121 1.00 52.42 H new ATOM 0 HA ASN A 7 13.051 -4.706 -1.568 1.00 13.51 H new ATOM 0 HB2 ASN A 7 13.896 -7.009 -3.309 1.00 44.53 H new ATOM 0 HB3 ASN A 7 12.209 -6.562 -3.152 1.00 44.53 H new ATOM 0 HD21 ASN A 7 12.280 -6.053 -5.467 1.00 74.13 H new ATOM 0 HD22 ASN A 7 13.122 -4.605 -6.029 1.00 74.13 H new ATOM 105 N GLY A 8 13.542 -7.783 -0.394 1.00 64.30 N ATOM 106 CA GLY A 8 13.122 -8.846 0.504 1.00 72.03 C ATOM 107 C GLY A 8 13.058 -8.467 1.974 1.00 53.44 C ATOM 108 O GLY A 8 12.763 -9.316 2.808 1.00 40.30 O ATOM 0 H GLY A 8 14.458 -7.962 -0.806 1.00 64.30 H new ATOM 0 HA2 GLY A 8 12.137 -9.194 0.192 1.00 72.03 H new ATOM 0 HA3 GLY A 8 13.808 -9.686 0.392 1.00 72.03 H new ATOM 112 N GLN A 9 13.345 -7.213 2.316 1.00 23.33 N ATOM 113 CA GLN A 9 12.960 -6.623 3.585 1.00 31.05 C ATOM 114 C GLN A 9 11.944 -5.493 3.386 1.00 31.33 C ATOM 115 O GLN A 9 11.027 -5.366 4.201 1.00 72.40 O ATOM 116 CB GLN A 9 14.231 -6.162 4.311 1.00 21.41 C ATOM 117 CG GLN A 9 15.008 -7.364 4.872 1.00 3.55 C ATOM 118 CD GLN A 9 16.170 -7.792 3.984 1.00 64.32 C ATOM 119 OE1 GLN A 9 16.045 -8.663 3.134 1.00 11.42 O ATOM 120 NE2 GLN A 9 17.337 -7.194 4.156 1.00 22.21 N ATOM 0 H GLN A 9 13.858 -6.574 1.708 1.00 23.33 H new ATOM 0 HA GLN A 9 12.456 -7.362 4.207 1.00 31.05 H new ATOM 0 HB2 GLN A 9 14.865 -5.603 3.623 1.00 21.41 H new ATOM 0 HB3 GLN A 9 13.966 -5.484 5.122 1.00 21.41 H new ATOM 0 HG2 GLN A 9 15.389 -7.113 5.862 1.00 3.55 H new ATOM 0 HG3 GLN A 9 14.325 -8.204 4.997 1.00 3.55 H new ATOM 0 HE21 GLN A 9 17.438 -6.468 4.865 1.00 22.21 H new ATOM 0 HE22 GLN A 9 18.136 -7.459 3.579 1.00 22.21 H new ATOM 129 N LEU A 10 12.092 -4.697 2.319 1.00 55.24 N ATOM 130 CA LEU A 10 11.299 -3.515 1.998 1.00 33.23 C ATOM 131 C LEU A 10 9.821 -3.834 1.846 1.00 51.41 C ATOM 132 O LEU A 10 8.992 -3.170 2.467 1.00 55.52 O ATOM 133 CB LEU A 10 11.806 -2.887 0.688 1.00 12.53 C ATOM 134 CG LEU A 10 11.118 -1.554 0.318 1.00 24.15 C ATOM 135 CD1 LEU A 10 11.212 -0.509 1.435 1.00 62.04 C ATOM 136 CD2 LEU A 10 11.725 -0.972 -0.965 1.00 71.31 C ATOM 0 H LEU A 10 12.812 -4.876 1.619 1.00 55.24 H new ATOM 0 HA LEU A 10 11.412 -2.819 2.830 1.00 33.23 H new ATOM 0 HB2 LEU A 10 12.880 -2.718 0.771 1.00 12.53 H new ATOM 0 HB3 LEU A 10 11.657 -3.598 -0.125 1.00 12.53 H new ATOM 0 HG LEU A 10 10.064 -1.786 0.164 1.00 24.15 H new ATOM 0 HD11 LEU A 10 10.712 0.407 1.120 1.00 62.04 H new ATOM 0 HD12 LEU A 10 10.731 -0.894 2.335 1.00 62.04 H new ATOM 0 HD13 LEU A 10 12.260 -0.296 1.646 1.00 62.04 H new ATOM 0 HD21 LEU A 10 11.228 -0.033 -1.210 1.00 71.31 H new ATOM 0 HD22 LEU A 10 12.789 -0.790 -0.814 1.00 71.31 H new ATOM 0 HD23 LEU A 10 11.590 -1.678 -1.784 1.00 71.31 H new ATOM 148 N TRP A 11 9.494 -4.796 0.979 1.00 41.40 N ATOM 149 CA TRP A 11 8.097 -5.139 0.717 1.00 34.25 C ATOM 150 C TRP A 11 7.410 -5.512 2.020 1.00 40.53 C ATOM 151 O TRP A 11 6.347 -4.965 2.318 1.00 61.31 O ATOM 152 CB TRP A 11 7.937 -6.288 -0.275 1.00 42.43 C ATOM 153 CG TRP A 11 6.523 -6.759 -0.438 1.00 0.53 C ATOM 154 CD1 TRP A 11 5.622 -6.294 -1.331 1.00 34.15 C ATOM 155 CD2 TRP A 11 5.827 -7.792 0.325 1.00 51.52 C ATOM 156 NE1 TRP A 11 4.406 -6.916 -1.135 1.00 23.23 N ATOM 157 CE2 TRP A 11 4.477 -7.858 -0.131 1.00 15.23 C ATOM 158 CE3 TRP A 11 6.215 -8.709 1.326 1.00 4.11 C ATOM 159 CZ2 TRP A 11 3.568 -8.801 0.368 1.00 74.22 C ATOM 160 CZ3 TRP A 11 5.309 -9.656 1.834 1.00 13.43 C ATOM 161 CH2 TRP A 11 3.990 -9.700 1.359 1.00 32.24 C ATOM 0 H TRP A 11 10.172 -5.346 0.452 1.00 41.40 H new ATOM 0 HA TRP A 11 7.637 -4.257 0.270 1.00 34.25 H new ATOM 0 HB2 TRP A 11 8.318 -5.972 -1.246 1.00 42.43 H new ATOM 0 HB3 TRP A 11 8.553 -7.126 0.052 1.00 42.43 H new ATOM 0 HD1 TRP A 11 5.823 -5.547 -2.085 1.00 34.15 H new ATOM 0 HE1 TRP A 11 3.561 -6.705 -1.666 1.00 23.23 H new ATOM 0 HE3 TRP A 11 7.225 -8.682 1.708 1.00 4.11 H new ATOM 0 HZ2 TRP A 11 2.555 -8.835 -0.006 1.00 74.22 H new ATOM 0 HZ3 TRP A 11 5.630 -10.353 2.594 1.00 13.43 H new ATOM 0 HH2 TRP A 11 3.298 -10.427 1.757 1.00 32.24 H new ATOM 172 N LYS A 12 8.018 -6.397 2.820 1.00 31.21 N ATOM 173 CA LYS A 12 7.370 -6.829 4.049 1.00 4.55 C ATOM 174 C LYS A 12 7.092 -5.654 4.985 1.00 42.53 C ATOM 175 O LYS A 12 6.085 -5.707 5.676 1.00 31.05 O ATOM 176 CB LYS A 12 8.153 -7.942 4.758 1.00 35.15 C ATOM 177 CG LYS A 12 7.240 -9.128 5.109 1.00 33.04 C ATOM 178 CD LYS A 12 7.781 -10.029 6.228 1.00 0.43 C ATOM 179 CE LYS A 12 9.054 -10.795 5.835 1.00 34.43 C ATOM 180 NZ LYS A 12 10.296 -10.020 6.035 1.00 71.00 N ATOM 0 H LYS A 12 8.931 -6.814 2.640 1.00 31.21 H new ATOM 0 HA LYS A 12 6.407 -7.253 3.763 1.00 4.55 H new ATOM 0 HB2 LYS A 12 8.966 -8.283 4.117 1.00 35.15 H new ATOM 0 HB3 LYS A 12 8.607 -7.548 5.667 1.00 35.15 H new ATOM 0 HG2 LYS A 12 6.264 -8.745 5.406 1.00 33.04 H new ATOM 0 HG3 LYS A 12 7.087 -9.731 4.214 1.00 33.04 H new ATOM 0 HD2 LYS A 12 7.990 -9.418 7.106 1.00 0.43 H new ATOM 0 HD3 LYS A 12 7.009 -10.744 6.513 1.00 0.43 H new ATOM 0 HE2 LYS A 12 9.111 -11.713 6.420 1.00 34.43 H new ATOM 0 HE3 LYS A 12 8.983 -11.088 4.787 1.00 34.43 H new ATOM 0 HZ1 LYS A 12 11.098 -10.673 6.150 1.00 71.00 H new ATOM 0 HZ2 LYS A 12 10.462 -9.411 5.209 1.00 71.00 H new ATOM 0 HZ3 LYS A 12 10.204 -9.431 6.887 1.00 71.00 H new ATOM 194 N LYS A 13 7.903 -4.579 4.994 1.00 51.11 N ATOM 195 CA LYS A 13 7.545 -3.358 5.717 1.00 12.43 C ATOM 196 C LYS A 13 6.180 -2.864 5.272 1.00 54.21 C ATOM 197 O LYS A 13 5.307 -2.682 6.108 1.00 15.21 O ATOM 198 CB LYS A 13 8.589 -2.234 5.561 1.00 40.44 C ATOM 199 CG LYS A 13 10.046 -2.645 5.790 1.00 73.04 C ATOM 200 CD LYS A 13 10.315 -3.520 7.023 1.00 4.22 C ATOM 201 CE LYS A 13 10.357 -2.744 8.337 1.00 43.23 C ATOM 202 NZ LYS A 13 9.062 -2.173 8.770 1.00 23.32 N ATOM 0 H LYS A 13 8.801 -4.537 4.512 1.00 51.11 H new ATOM 0 HA LYS A 13 7.518 -3.620 6.775 1.00 12.43 H new ATOM 0 HB2 LYS A 13 8.501 -1.819 4.557 1.00 40.44 H new ATOM 0 HB3 LYS A 13 8.342 -1.434 6.259 1.00 40.44 H new ATOM 0 HG2 LYS A 13 10.394 -3.180 4.907 1.00 73.04 H new ATOM 0 HG3 LYS A 13 10.649 -1.741 5.873 1.00 73.04 H new ATOM 0 HD2 LYS A 13 9.541 -4.285 7.089 1.00 4.22 H new ATOM 0 HD3 LYS A 13 11.264 -4.038 6.888 1.00 4.22 H new ATOM 0 HE2 LYS A 13 10.725 -3.406 9.121 1.00 43.23 H new ATOM 0 HE3 LYS A 13 11.079 -1.934 8.240 1.00 43.23 H new ATOM 0 HZ1 LYS A 13 9.071 -2.033 9.801 1.00 23.32 H new ATOM 0 HZ2 LYS A 13 8.911 -1.259 8.298 1.00 23.32 H new ATOM 0 HZ3 LYS A 13 8.293 -2.825 8.516 1.00 23.32 H new ATOM 216 N VAL A 14 5.989 -2.646 3.971 1.00 63.14 N ATOM 217 CA VAL A 14 4.721 -2.175 3.430 1.00 13.35 C ATOM 218 C VAL A 14 3.608 -3.152 3.824 1.00 73.13 C ATOM 219 O VAL A 14 2.619 -2.720 4.406 1.00 33.35 O ATOM 220 CB VAL A 14 4.824 -1.954 1.906 1.00 33.42 C ATOM 221 CG1 VAL A 14 3.510 -1.425 1.315 1.00 32.21 C ATOM 222 CG2 VAL A 14 5.941 -0.945 1.588 1.00 63.21 C ATOM 0 H VAL A 14 6.711 -2.792 3.265 1.00 63.14 H new ATOM 0 HA VAL A 14 4.471 -1.204 3.856 1.00 13.35 H new ATOM 0 HB VAL A 14 5.046 -2.923 1.459 1.00 33.42 H new ATOM 0 HG11 VAL A 14 3.625 -1.283 0.240 1.00 32.21 H new ATOM 0 HG12 VAL A 14 2.712 -2.143 1.503 1.00 32.21 H new ATOM 0 HG13 VAL A 14 3.259 -0.473 1.782 1.00 32.21 H new ATOM 0 HG21 VAL A 14 6.003 -0.798 0.510 1.00 63.21 H new ATOM 0 HG22 VAL A 14 5.720 0.007 2.071 1.00 63.21 H new ATOM 0 HG23 VAL A 14 6.893 -1.327 1.957 1.00 63.21 H new ATOM 232 N LYS A 15 3.768 -4.454 3.549 1.00 34.12 N ATOM 233 CA LYS A 15 2.743 -5.451 3.856 1.00 54.51 C ATOM 234 C LYS A 15 2.353 -5.382 5.327 1.00 15.13 C ATOM 235 O LYS A 15 1.184 -5.148 5.634 1.00 21.04 O ATOM 236 CB LYS A 15 3.193 -6.859 3.432 1.00 52.14 C ATOM 237 CG LYS A 15 2.058 -7.888 3.602 1.00 60.30 C ATOM 238 CD LYS A 15 2.104 -8.716 4.897 1.00 44.54 C ATOM 239 CE LYS A 15 3.198 -9.798 4.883 1.00 24.42 C ATOM 240 NZ LYS A 15 3.331 -10.451 6.206 1.00 44.34 N ATOM 0 H LYS A 15 4.605 -4.839 3.111 1.00 34.12 H new ATOM 0 HA LYS A 15 1.850 -5.223 3.275 1.00 54.51 H new ATOM 0 HB2 LYS A 15 3.517 -6.841 2.391 1.00 52.14 H new ATOM 0 HB3 LYS A 15 4.053 -7.162 4.028 1.00 52.14 H new ATOM 0 HG2 LYS A 15 1.105 -7.361 3.562 1.00 60.30 H new ATOM 0 HG3 LYS A 15 2.081 -8.572 2.753 1.00 60.30 H new ATOM 0 HD2 LYS A 15 2.272 -8.049 5.742 1.00 44.54 H new ATOM 0 HD3 LYS A 15 1.135 -9.190 5.053 1.00 44.54 H new ATOM 0 HE2 LYS A 15 2.961 -10.548 4.128 1.00 24.42 H new ATOM 0 HE3 LYS A 15 4.151 -9.350 4.599 1.00 24.42 H new ATOM 0 HZ1 LYS A 15 4.132 -11.114 6.187 1.00 44.34 H new ATOM 0 HZ2 LYS A 15 3.498 -9.728 6.935 1.00 44.34 H new ATOM 0 HZ3 LYS A 15 2.457 -10.970 6.426 1.00 44.34 H new ATOM 254 N ASP A 16 3.315 -5.571 6.227 1.00 44.24 N ATOM 255 CA ASP A 16 3.058 -5.638 7.659 1.00 63.32 C ATOM 256 C ASP A 16 2.507 -4.293 8.166 1.00 23.23 C ATOM 257 O ASP A 16 1.705 -4.295 9.097 1.00 53.11 O ATOM 258 CB ASP A 16 4.338 -6.010 8.437 1.00 14.14 C ATOM 259 CG ASP A 16 4.820 -7.470 8.320 1.00 32.25 C ATOM 260 OD1 ASP A 16 4.275 -8.262 7.512 1.00 35.34 O ATOM 261 OD2 ASP A 16 5.817 -7.797 9.005 1.00 24.45 O ATOM 0 H ASP A 16 4.298 -5.682 5.980 1.00 44.24 H new ATOM 0 HA ASP A 16 2.315 -6.417 7.831 1.00 63.32 H new ATOM 0 HB2 ASP A 16 5.143 -5.358 8.099 1.00 14.14 H new ATOM 0 HB3 ASP A 16 4.171 -5.790 9.492 1.00 14.14 H new ATOM 266 N SER A 17 2.881 -3.148 7.578 1.00 61.40 N ATOM 267 CA SER A 17 2.323 -1.841 7.938 1.00 65.03 C ATOM 268 C SER A 17 0.822 -1.733 7.677 1.00 43.54 C ATOM 269 O SER A 17 0.142 -1.020 8.410 1.00 53.12 O ATOM 270 CB SER A 17 3.060 -0.723 7.186 1.00 0.33 C ATOM 271 OG SER A 17 4.344 -0.510 7.755 1.00 24.25 O ATOM 0 H SER A 17 3.581 -3.104 6.837 1.00 61.40 H new ATOM 0 HA SER A 17 2.468 -1.731 9.013 1.00 65.03 H new ATOM 0 HB2 SER A 17 3.161 -0.988 6.134 1.00 0.33 H new ATOM 0 HB3 SER A 17 2.478 0.198 7.229 1.00 0.33 H new ATOM 0 HG SER A 17 4.981 -1.151 7.375 1.00 24.25 H new ATOM 277 N LEU A 18 0.293 -2.425 6.668 1.00 41.31 N ATOM 278 CA LEU A 18 -1.124 -2.344 6.342 1.00 3.22 C ATOM 279 C LEU A 18 -1.961 -3.260 7.230 1.00 55.52 C ATOM 280 O LEU A 18 -3.172 -3.074 7.277 1.00 41.41 O ATOM 281 CB LEU A 18 -1.349 -2.631 4.848 1.00 54.24 C ATOM 282 CG LEU A 18 -0.630 -1.643 3.913 1.00 21.13 C ATOM 283 CD1 LEU A 18 -0.955 -1.961 2.450 1.00 61.23 C ATOM 284 CD2 LEU A 18 -1.001 -0.199 4.254 1.00 53.53 C ATOM 0 H LEU A 18 0.829 -3.048 6.063 1.00 41.31 H new ATOM 0 HA LEU A 18 -1.460 -1.327 6.542 1.00 3.22 H new ATOM 0 HB2 LEU A 18 -1.007 -3.642 4.626 1.00 54.24 H new ATOM 0 HB3 LEU A 18 -2.418 -2.603 4.639 1.00 54.24 H new ATOM 0 HG LEU A 18 0.445 -1.753 4.058 1.00 21.13 H new ATOM 0 HD11 LEU A 18 -0.439 -1.254 1.801 1.00 61.23 H new ATOM 0 HD12 LEU A 18 -0.627 -2.974 2.216 1.00 61.23 H new ATOM 0 HD13 LEU A 18 -2.030 -1.882 2.291 1.00 61.23 H new ATOM 0 HD21 LEU A 18 -0.480 0.480 3.579 1.00 53.53 H new ATOM 0 HD22 LEU A 18 -2.077 -0.064 4.145 1.00 53.53 H new ATOM 0 HD23 LEU A 18 -0.711 0.018 5.282 1.00 53.53 H new ATOM 296 N ILE A 19 -1.342 -4.192 7.957 1.00 25.11 N ATOM 297 CA ILE A 19 -1.999 -5.102 8.904 1.00 41.12 C ATOM 298 C ILE A 19 -2.603 -4.311 10.069 1.00 41.40 C ATOM 299 O ILE A 19 -3.632 -4.693 10.621 1.00 62.44 O ATOM 300 CB ILE A 19 -0.968 -6.124 9.437 1.00 1.41 C ATOM 301 CG1 ILE A 19 -0.345 -7.024 8.353 1.00 1.14 C ATOM 302 CG2 ILE A 19 -1.478 -6.941 10.627 1.00 42.32 C ATOM 303 CD1 ILE A 19 -1.264 -8.117 7.818 1.00 13.15 C ATOM 0 H ILE A 19 -0.334 -4.341 7.902 1.00 25.11 H new ATOM 0 HA ILE A 19 -2.802 -5.632 8.391 1.00 41.12 H new ATOM 0 HB ILE A 19 -0.155 -5.500 9.807 1.00 1.41 H new ATOM 0 HG12 ILE A 19 -0.027 -6.397 7.520 1.00 1.14 H new ATOM 0 HG13 ILE A 19 0.552 -7.491 8.761 1.00 1.14 H new ATOM 0 HG21 ILE A 19 -0.704 -7.637 10.949 1.00 42.32 H new ATOM 0 HG22 ILE A 19 -1.727 -6.270 11.449 1.00 42.32 H new ATOM 0 HG23 ILE A 19 -2.367 -7.498 10.331 1.00 42.32 H new ATOM 0 HD11 ILE A 19 -0.737 -8.697 7.061 1.00 13.15 H new ATOM 0 HD12 ILE A 19 -1.563 -8.774 8.635 1.00 13.15 H new ATOM 0 HD13 ILE A 19 -2.150 -7.663 7.375 1.00 13.15 H new ATOM 315 N ASP A 20 -1.942 -3.228 10.481 1.00 74.04 N ATOM 316 CA ASP A 20 -2.430 -2.325 11.528 1.00 71.33 C ATOM 317 C ASP A 20 -3.777 -1.703 11.169 1.00 2.22 C ATOM 318 O ASP A 20 -4.485 -1.198 12.043 1.00 23.13 O ATOM 319 CB ASP A 20 -1.427 -1.197 11.792 1.00 1.21 C ATOM 320 CG ASP A 20 -0.261 -1.667 12.653 1.00 5.53 C ATOM 321 OD1 ASP A 20 -0.457 -1.857 13.871 1.00 72.14 O ATOM 322 OD2 ASP A 20 0.892 -1.740 12.179 1.00 63.33 O ATOM 0 H ASP A 20 -1.041 -2.949 10.093 1.00 74.04 H new ATOM 0 HA ASP A 20 -2.551 -2.934 12.424 1.00 71.33 H new ATOM 0 HB2 ASP A 20 -1.048 -0.818 10.843 1.00 1.21 H new ATOM 0 HB3 ASP A 20 -1.934 -0.368 12.287 1.00 1.21 H new ATOM 327 N SER A 21 -4.139 -1.736 9.892 1.00 45.30 N ATOM 328 CA SER A 21 -5.345 -1.162 9.339 1.00 33.03 C ATOM 329 C SER A 21 -6.211 -2.249 8.705 1.00 12.12 C ATOM 330 O SER A 21 -5.766 -3.374 8.492 1.00 11.52 O ATOM 331 CB SER A 21 -4.930 -0.111 8.314 1.00 32.35 C ATOM 332 OG SER A 21 -3.798 -0.497 7.553 1.00 34.01 O ATOM 0 H SER A 21 -3.564 -2.190 9.182 1.00 45.30 H new ATOM 0 HA SER A 21 -5.944 -0.696 10.121 1.00 33.03 H new ATOM 0 HB2 SER A 21 -5.765 0.082 7.641 1.00 32.35 H new ATOM 0 HB3 SER A 21 -4.713 0.825 8.829 1.00 32.35 H new ATOM 0 HG SER A 21 -3.823 -1.464 7.397 1.00 34.01 H new ATOM 338 N ASN A 22 -7.421 -1.883 8.292 1.00 13.21 N ATOM 339 CA ASN A 22 -8.304 -2.762 7.530 1.00 20.01 C ATOM 340 C ASN A 22 -8.037 -2.628 6.014 1.00 33.44 C ATOM 341 O ASN A 22 -8.903 -2.926 5.191 1.00 15.11 O ATOM 342 CB ASN A 22 -9.758 -2.468 7.944 1.00 3.24 C ATOM 343 CG ASN A 22 -10.672 -3.683 7.853 1.00 30.03 C ATOM 344 OD1 ASN A 22 -11.252 -4.126 8.839 1.00 70.24 O ATOM 345 ND2 ASN A 22 -10.852 -4.219 6.669 1.00 14.52 N ATOM 0 H ASN A 22 -7.819 -0.963 8.478 1.00 13.21 H new ATOM 0 HA ASN A 22 -8.105 -3.809 7.757 1.00 20.01 H new ATOM 0 HB2 ASN A 22 -9.767 -2.092 8.967 1.00 3.24 H new ATOM 0 HB3 ASN A 22 -10.155 -1.676 7.309 1.00 3.24 H new ATOM 0 HD21 ASN A 22 -11.481 -5.015 6.560 1.00 14.52 H new ATOM 0 HD22 ASN A 22 -10.363 -3.840 5.858 1.00 14.52 H new ATOM 352 N ILE A 23 -6.872 -2.099 5.610 1.00 75.03 N ATOM 353 CA ILE A 23 -6.551 -1.784 4.213 1.00 34.45 C ATOM 354 C ILE A 23 -6.349 -3.065 3.388 1.00 72.44 C ATOM 355 O ILE A 23 -6.407 -3.001 2.158 1.00 71.13 O ATOM 356 CB ILE A 23 -5.316 -0.839 4.178 1.00 14.12 C ATOM 357 CG1 ILE A 23 -5.717 0.540 4.750 1.00 44.32 C ATOM 358 CG2 ILE A 23 -4.708 -0.608 2.777 1.00 15.33 C ATOM 359 CD1 ILE A 23 -4.516 1.440 5.064 1.00 15.44 C ATOM 0 H ILE A 23 -6.116 -1.875 6.257 1.00 75.03 H new ATOM 0 HA ILE A 23 -7.388 -1.262 3.748 1.00 34.45 H new ATOM 0 HB ILE A 23 -4.553 -1.341 4.773 1.00 14.12 H new ATOM 0 HG12 ILE A 23 -6.365 1.047 4.035 1.00 44.32 H new ATOM 0 HG13 ILE A 23 -6.299 0.393 5.660 1.00 44.32 H new ATOM 0 HG21 ILE A 23 -3.853 0.064 2.858 1.00 15.33 H new ATOM 0 HG22 ILE A 23 -4.382 -1.561 2.360 1.00 15.33 H new ATOM 0 HG23 ILE A 23 -5.459 -0.163 2.123 1.00 15.33 H new ATOM 0 HD11 ILE A 23 -4.869 2.392 5.462 1.00 15.44 H new ATOM 0 HD12 ILE A 23 -3.879 0.952 5.802 1.00 15.44 H new ATOM 0 HD13 ILE A 23 -3.946 1.617 4.152 1.00 15.44 H new ATOM 371 N ILE A 24 -6.131 -4.212 4.030 1.00 51.12 N ATOM 372 CA ILE A 24 -5.791 -5.506 3.446 1.00 54.14 C ATOM 373 C ILE A 24 -6.419 -6.604 4.307 1.00 43.43 C ATOM 374 O ILE A 24 -6.852 -6.320 5.421 1.00 13.32 O ATOM 375 CB ILE A 24 -4.259 -5.685 3.449 1.00 11.51 C ATOM 376 CG1 ILE A 24 -3.675 -5.459 4.861 1.00 13.34 C ATOM 377 CG2 ILE A 24 -3.567 -4.789 2.408 1.00 11.33 C ATOM 378 CD1 ILE A 24 -2.468 -6.345 5.101 1.00 21.34 C ATOM 0 H ILE A 24 -6.192 -4.263 5.047 1.00 51.12 H new ATOM 0 HA ILE A 24 -6.162 -5.562 2.423 1.00 54.14 H new ATOM 0 HB ILE A 24 -4.057 -6.717 3.162 1.00 11.51 H new ATOM 0 HG12 ILE A 24 -3.391 -4.413 4.977 1.00 13.34 H new ATOM 0 HG13 ILE A 24 -4.438 -5.667 5.611 1.00 13.34 H new ATOM 0 HG21 ILE A 24 -2.490 -4.950 2.448 1.00 11.33 H new ATOM 0 HG22 ILE A 24 -3.935 -5.037 1.412 1.00 11.33 H new ATOM 0 HG23 ILE A 24 -3.786 -3.743 2.625 1.00 11.33 H new ATOM 0 HD11 ILE A 24 -2.078 -6.165 6.103 1.00 21.34 H new ATOM 0 HD12 ILE A 24 -2.760 -7.391 5.008 1.00 21.34 H new ATOM 0 HD13 ILE A 24 -1.697 -6.117 4.365 1.00 21.34 H new ATOM 390 N SER A 25 -6.352 -7.854 3.848 1.00 51.51 N ATOM 391 CA SER A 25 -6.596 -9.020 4.684 1.00 42.23 C ATOM 392 C SER A 25 -5.315 -9.662 5.217 1.00 61.24 C ATOM 393 O SER A 25 -5.322 -10.168 6.339 1.00 71.32 O ATOM 394 CB SER A 25 -7.394 -10.061 3.891 1.00 31.22 C ATOM 395 OG SER A 25 -8.746 -9.683 3.731 1.00 61.23 O ATOM 0 H SER A 25 -6.125 -8.083 2.880 1.00 51.51 H new ATOM 0 HA SER A 25 -7.161 -8.673 5.549 1.00 42.23 H new ATOM 0 HB2 SER A 25 -6.937 -10.198 2.911 1.00 31.22 H new ATOM 0 HB3 SER A 25 -7.345 -11.022 4.403 1.00 31.22 H new ATOM 0 HG SER A 25 -9.041 -9.182 4.520 1.00 61.23 H new ATOM 401 N GLY A 26 -4.215 -9.690 4.456 1.00 11.44 N ATOM 402 CA GLY A 26 -3.079 -10.546 4.821 1.00 23.02 C ATOM 403 C GLY A 26 -3.386 -12.034 4.607 1.00 12.11 C ATOM 404 O GLY A 26 -2.802 -12.895 5.270 1.00 62.20 O ATOM 0 H GLY A 26 -4.087 -9.144 3.604 1.00 11.44 H new ATOM 0 HA2 GLY A 26 -2.209 -10.267 4.226 1.00 23.02 H new ATOM 0 HA3 GLY A 26 -2.819 -10.376 5.866 1.00 23.02 H new ATOM 408 N ASN A 27 -4.325 -12.340 3.709 1.00 3.41 N ATOM 409 CA ASN A 27 -4.611 -13.698 3.258 1.00 71.03 C ATOM 410 C ASN A 27 -3.566 -14.107 2.217 1.00 13.32 C ATOM 411 O ASN A 27 -2.721 -13.311 1.804 1.00 64.44 O ATOM 412 CB ASN A 27 -5.996 -13.755 2.595 1.00 51.43 C ATOM 413 CG ASN A 27 -7.170 -13.576 3.541 1.00 11.14 C ATOM 414 OD1 ASN A 27 -7.037 -13.559 4.759 1.00 23.44 O ATOM 415 ND2 ASN A 27 -8.356 -13.419 2.983 1.00 63.21 N ATOM 0 H ASN A 27 -4.917 -11.636 3.269 1.00 3.41 H new ATOM 0 HA ASN A 27 -4.587 -14.368 4.117 1.00 71.03 H new ATOM 0 HB2 ASN A 27 -6.047 -12.983 1.828 1.00 51.43 H new ATOM 0 HB3 ASN A 27 -6.100 -14.715 2.089 1.00 51.43 H new ATOM 0 HD21 ASN A 27 -9.180 -13.281 3.568 1.00 63.21 H new ATOM 0 HD22 ASN A 27 -8.448 -13.436 1.967 1.00 63.21 H new ATOM 422 N GLU A 28 -3.643 -15.350 1.752 1.00 55.21 N ATOM 423 CA GLU A 28 -3.000 -15.794 0.521 1.00 21.33 C ATOM 424 C GLU A 28 -3.596 -14.986 -0.642 1.00 1.22 C ATOM 425 O GLU A 28 -2.878 -14.474 -1.502 1.00 52.24 O ATOM 426 CB GLU A 28 -3.166 -17.335 0.414 1.00 51.52 C ATOM 427 CG GLU A 28 -4.450 -17.891 -0.257 1.00 44.21 C ATOM 428 CD GLU A 28 -4.477 -17.860 -1.801 1.00 51.52 C ATOM 429 OE1 GLU A 28 -3.615 -17.245 -2.452 1.00 61.12 O ATOM 430 OE2 GLU A 28 -5.435 -18.410 -2.403 1.00 24.22 O ATOM 0 H GLU A 28 -4.162 -16.088 2.228 1.00 55.21 H new ATOM 0 HA GLU A 28 -1.926 -15.609 0.500 1.00 21.33 H new ATOM 0 HB2 GLU A 28 -2.309 -17.725 -0.135 1.00 51.52 H new ATOM 0 HB3 GLU A 28 -3.113 -17.746 1.422 1.00 51.52 H new ATOM 0 HG2 GLU A 28 -4.588 -18.922 0.068 1.00 44.21 H new ATOM 0 HG3 GLU A 28 -5.304 -17.323 0.113 1.00 44.21 H new ATOM 437 N ASN A 29 -4.924 -14.810 -0.629 1.00 24.15 N ATOM 438 CA ASN A 29 -5.713 -14.230 -1.711 1.00 2.34 C ATOM 439 C ASN A 29 -5.678 -12.691 -1.716 1.00 20.13 C ATOM 440 O ASN A 29 -6.665 -12.037 -2.048 1.00 55.41 O ATOM 441 CB ASN A 29 -7.120 -14.856 -1.741 1.00 34.15 C ATOM 442 CG ASN A 29 -8.180 -14.236 -0.832 1.00 4.32 C ATOM 443 OD1 ASN A 29 -7.904 -13.636 0.200 1.00 73.01 O ATOM 444 ND2 ASN A 29 -9.444 -14.410 -1.179 1.00 52.34 N ATOM 0 H ASN A 29 -5.496 -15.081 0.171 1.00 24.15 H new ATOM 0 HA ASN A 29 -5.249 -14.489 -2.663 1.00 2.34 H new ATOM 0 HB2 ASN A 29 -7.487 -14.813 -2.766 1.00 34.15 H new ATOM 0 HB3 ASN A 29 -7.026 -15.910 -1.480 1.00 34.15 H new ATOM 0 HD21 ASN A 29 -10.190 -14.045 -0.587 1.00 52.34 H new ATOM 0 HD22 ASN A 29 -9.673 -14.910 -2.038 1.00 52.34 H new ATOM 451 N GLU A 30 -4.524 -12.121 -1.363 1.00 12.55 N ATOM 452 CA GLU A 30 -4.178 -10.729 -1.231 1.00 61.02 C ATOM 453 C GLU A 30 -2.753 -10.633 -1.780 1.00 60.41 C ATOM 454 O GLU A 30 -1.879 -11.386 -1.336 1.00 43.21 O ATOM 455 CB GLU A 30 -4.253 -10.440 0.269 1.00 74.44 C ATOM 456 CG GLU A 30 -3.476 -9.232 0.754 1.00 41.32 C ATOM 457 CD GLU A 30 -4.247 -7.932 0.587 1.00 20.35 C ATOM 458 OE1 GLU A 30 -5.293 -7.808 1.262 1.00 51.43 O ATOM 459 OE2 GLU A 30 -3.797 -7.043 -0.159 1.00 63.42 O ATOM 0 H GLU A 30 -3.721 -12.709 -1.138 1.00 12.55 H new ATOM 0 HA GLU A 30 -4.816 -10.019 -1.758 1.00 61.02 H new ATOM 0 HB2 GLU A 30 -5.300 -10.307 0.541 1.00 74.44 H new ATOM 0 HB3 GLU A 30 -3.894 -11.318 0.806 1.00 74.44 H new ATOM 0 HG2 GLU A 30 -3.222 -9.367 1.806 1.00 41.32 H new ATOM 0 HG3 GLU A 30 -2.536 -9.165 0.205 1.00 41.32 H new ATOM 466 N GLU A 31 -2.511 -9.739 -2.734 1.00 40.23 N ATOM 467 CA GLU A 31 -1.203 -9.526 -3.343 1.00 22.35 C ATOM 468 C GLU A 31 -0.972 -8.026 -3.492 1.00 62.24 C ATOM 469 O GLU A 31 -1.913 -7.271 -3.747 1.00 3.52 O ATOM 470 CB GLU A 31 -1.124 -10.287 -4.675 1.00 35.11 C ATOM 471 CG GLU A 31 0.295 -10.471 -5.190 1.00 74.12 C ATOM 472 CD GLU A 31 0.872 -9.208 -5.834 1.00 74.30 C ATOM 473 OE1 GLU A 31 0.295 -8.711 -6.827 1.00 64.32 O ATOM 474 OE2 GLU A 31 1.969 -8.773 -5.426 1.00 62.00 O ATOM 0 H GLU A 31 -3.235 -9.129 -3.113 1.00 40.23 H new ATOM 0 HA GLU A 31 -0.405 -9.920 -2.714 1.00 22.35 H new ATOM 0 HB2 GLU A 31 -1.586 -11.266 -4.552 1.00 35.11 H new ATOM 0 HB3 GLU A 31 -1.707 -9.751 -5.425 1.00 35.11 H new ATOM 0 HG2 GLU A 31 0.938 -10.776 -4.364 1.00 74.12 H new ATOM 0 HG3 GLU A 31 0.308 -11.281 -5.919 1.00 74.12 H new ATOM 481 N ILE A 32 0.267 -7.586 -3.275 1.00 35.02 N ATOM 482 CA ILE A 32 0.635 -6.189 -3.092 1.00 72.03 C ATOM 483 C ILE A 32 1.896 -5.943 -3.926 1.00 35.01 C ATOM 484 O ILE A 32 3.006 -6.162 -3.442 1.00 32.25 O ATOM 485 CB ILE A 32 0.797 -5.922 -1.571 1.00 63.01 C ATOM 486 CG1 ILE A 32 -0.545 -6.031 -0.816 1.00 31.45 C ATOM 487 CG2 ILE A 32 1.385 -4.541 -1.236 1.00 13.51 C ATOM 488 CD1 ILE A 32 -0.420 -6.834 0.482 1.00 23.24 C ATOM 0 H ILE A 32 1.067 -8.217 -3.221 1.00 35.02 H new ATOM 0 HA ILE A 32 -0.122 -5.486 -3.439 1.00 72.03 H new ATOM 0 HB ILE A 32 1.495 -6.695 -1.249 1.00 63.01 H new ATOM 0 HG12 ILE A 32 -0.913 -5.031 -0.587 1.00 31.45 H new ATOM 0 HG13 ILE A 32 -1.285 -6.503 -1.462 1.00 31.45 H new ATOM 0 HG21 ILE A 32 1.466 -4.433 -0.154 1.00 13.51 H new ATOM 0 HG22 ILE A 32 2.374 -4.448 -1.685 1.00 13.51 H new ATOM 0 HG23 ILE A 32 0.732 -3.762 -1.631 1.00 13.51 H new ATOM 0 HD11 ILE A 32 -1.391 -6.881 0.975 1.00 23.24 H new ATOM 0 HD12 ILE A 32 -0.079 -7.844 0.254 1.00 23.24 H new ATOM 0 HD13 ILE A 32 0.299 -6.349 1.142 1.00 23.24 H new ATOM 500 N THR A 33 1.736 -5.485 -5.167 1.00 62.13 N ATOM 501 CA THR A 33 2.849 -5.061 -6.012 1.00 12.14 C ATOM 502 C THR A 33 3.263 -3.641 -5.608 1.00 2.24 C ATOM 503 O THR A 33 2.502 -2.698 -5.814 1.00 11.53 O ATOM 504 CB THR A 33 2.485 -5.218 -7.492 1.00 4.22 C ATOM 505 OG1 THR A 33 2.254 -6.587 -7.789 1.00 35.12 O ATOM 506 CG2 THR A 33 3.688 -4.793 -8.334 1.00 34.05 C ATOM 0 H THR A 33 0.824 -5.398 -5.616 1.00 62.13 H new ATOM 0 HA THR A 33 3.721 -5.698 -5.864 1.00 12.14 H new ATOM 0 HB THR A 33 1.600 -4.618 -7.704 1.00 4.22 H new ATOM 0 HG1 THR A 33 1.498 -6.914 -7.257 1.00 35.12 H new ATOM 0 HG21 THR A 33 3.447 -4.898 -9.392 1.00 34.05 H new ATOM 0 HG22 THR A 33 3.933 -3.753 -8.119 1.00 34.05 H new ATOM 0 HG23 THR A 33 4.543 -5.425 -8.092 1.00 34.05 H new ATOM 514 N VAL A 34 4.451 -3.482 -5.014 1.00 22.04 N ATOM 515 CA VAL A 34 4.970 -2.205 -4.526 1.00 13.54 C ATOM 516 C VAL A 34 6.041 -1.730 -5.499 1.00 35.14 C ATOM 517 O VAL A 34 7.051 -2.419 -5.670 1.00 74.03 O ATOM 518 CB VAL A 34 5.562 -2.369 -3.108 1.00 21.44 C ATOM 519 CG1 VAL A 34 6.068 -1.038 -2.530 1.00 21.12 C ATOM 520 CG2 VAL A 34 4.546 -2.949 -2.121 1.00 14.41 C ATOM 0 H VAL A 34 5.092 -4.259 -4.857 1.00 22.04 H new ATOM 0 HA VAL A 34 4.166 -1.471 -4.466 1.00 13.54 H new ATOM 0 HB VAL A 34 6.397 -3.059 -3.228 1.00 21.44 H new ATOM 0 HG11 VAL A 34 6.474 -1.206 -1.533 1.00 21.12 H new ATOM 0 HG12 VAL A 34 6.847 -0.633 -3.176 1.00 21.12 H new ATOM 0 HG13 VAL A 34 5.242 -0.330 -2.471 1.00 21.12 H new ATOM 0 HG21 VAL A 34 5.008 -3.046 -1.138 1.00 14.41 H new ATOM 0 HG22 VAL A 34 3.684 -2.285 -2.053 1.00 14.41 H new ATOM 0 HG23 VAL A 34 4.221 -3.930 -2.468 1.00 14.41 H new ATOM 530 N THR A 35 5.877 -0.542 -6.081 1.00 13.11 N ATOM 531 CA THR A 35 6.910 0.074 -6.898 1.00 54.41 C ATOM 532 C THR A 35 7.664 1.127 -6.072 1.00 13.13 C ATOM 533 O THR A 35 7.074 1.848 -5.262 1.00 15.14 O ATOM 534 CB THR A 35 6.289 0.638 -8.192 1.00 35.14 C ATOM 535 OG1 THR A 35 5.349 -0.253 -8.744 1.00 54.52 O ATOM 536 CG2 THR A 35 7.367 0.804 -9.256 1.00 60.24 C ATOM 0 H THR A 35 5.026 0.015 -5.997 1.00 13.11 H new ATOM 0 HA THR A 35 7.646 -0.668 -7.206 1.00 54.41 H new ATOM 0 HB THR A 35 5.818 1.584 -7.925 1.00 35.14 H new ATOM 0 HG1 THR A 35 4.972 0.134 -9.562 1.00 54.52 H new ATOM 0 HG21 THR A 35 6.921 1.203 -10.167 1.00 60.24 H new ATOM 0 HG22 THR A 35 8.131 1.492 -8.895 1.00 60.24 H new ATOM 0 HG23 THR A 35 7.821 -0.164 -9.468 1.00 60.24 H new ATOM 544 N TYR A 36 8.979 1.246 -6.266 1.00 3.31 N ATOM 545 CA TYR A 36 9.807 2.290 -5.649 1.00 31.24 C ATOM 546 C TYR A 36 10.913 2.726 -6.618 1.00 64.24 C ATOM 547 O TYR A 36 10.912 2.270 -7.766 1.00 31.14 O ATOM 548 CB TYR A 36 10.336 1.817 -4.286 1.00 20.15 C ATOM 549 CG TYR A 36 11.548 0.916 -4.361 1.00 63.11 C ATOM 550 CD1 TYR A 36 11.438 -0.405 -4.842 1.00 44.32 C ATOM 551 CD2 TYR A 36 12.803 1.437 -4.005 1.00 63.33 C ATOM 552 CE1 TYR A 36 12.592 -1.194 -4.992 1.00 53.12 C ATOM 553 CE2 TYR A 36 13.958 0.660 -4.165 1.00 55.21 C ATOM 554 CZ TYR A 36 13.858 -0.650 -4.671 1.00 75.33 C ATOM 555 OH TYR A 36 14.992 -1.373 -4.863 1.00 72.03 O ATOM 0 H TYR A 36 9.508 0.612 -6.864 1.00 3.31 H new ATOM 0 HA TYR A 36 9.203 3.175 -5.450 1.00 31.24 H new ATOM 0 HB2 TYR A 36 10.586 2.691 -3.684 1.00 20.15 H new ATOM 0 HB3 TYR A 36 9.538 1.288 -3.765 1.00 20.15 H new ATOM 0 HD1 TYR A 36 10.469 -0.810 -5.095 1.00 44.32 H new ATOM 0 HD2 TYR A 36 12.878 2.438 -3.607 1.00 63.33 H new ATOM 0 HE1 TYR A 36 12.512 -2.210 -5.350 1.00 53.12 H new ATOM 0 HE2 TYR A 36 14.923 1.065 -3.901 1.00 55.21 H new ATOM 0 HH TYR A 36 14.844 -2.297 -4.573 1.00 72.03 H new ATOM 565 N VAL A 37 11.804 3.649 -6.222 1.00 74.10 N ATOM 566 CA VAL A 37 12.805 4.244 -7.114 1.00 2.21 C ATOM 567 C VAL A 37 14.197 4.289 -6.443 1.00 40.31 C ATOM 568 O VAL A 37 14.321 4.590 -5.250 1.00 15.14 O ATOM 569 CB VAL A 37 12.338 5.654 -7.551 1.00 55.32 C ATOM 570 CG1 VAL A 37 13.038 6.133 -8.829 1.00 23.23 C ATOM 571 CG2 VAL A 37 10.820 5.777 -7.807 1.00 20.32 C ATOM 0 H VAL A 37 11.848 4.004 -5.267 1.00 74.10 H new ATOM 0 HA VAL A 37 12.903 3.620 -8.002 1.00 2.21 H new ATOM 0 HB VAL A 37 12.607 6.273 -6.695 1.00 55.32 H new ATOM 0 HG11 VAL A 37 12.675 7.126 -9.092 1.00 23.23 H new ATOM 0 HG12 VAL A 37 14.114 6.173 -8.661 1.00 23.23 H new ATOM 0 HG13 VAL A 37 12.823 5.441 -9.643 1.00 23.23 H new ATOM 0 HG21 VAL A 37 10.583 6.797 -8.108 1.00 20.32 H new ATOM 0 HG22 VAL A 37 10.528 5.088 -8.599 1.00 20.32 H new ATOM 0 HG23 VAL A 37 10.276 5.533 -6.894 1.00 20.32 H new ATOM 581 N ASN A 38 15.260 4.014 -7.213 1.00 72.02 N ATOM 582 CA ASN A 38 16.669 4.023 -6.777 1.00 11.33 C ATOM 583 C ASN A 38 17.334 5.364 -7.106 1.00 63.24 C ATOM 584 O ASN A 38 16.832 6.132 -7.932 1.00 24.34 O ATOM 585 CB ASN A 38 17.471 2.903 -7.468 1.00 23.02 C ATOM 586 CG ASN A 38 17.006 1.496 -7.114 1.00 52.43 C ATOM 587 OD1 ASN A 38 16.238 1.268 -6.187 1.00 34.13 O ATOM 588 ND2 ASN A 38 17.464 0.515 -7.864 1.00 42.31 N ATOM 0 H ASN A 38 15.160 3.769 -8.198 1.00 72.02 H new ATOM 0 HA ASN A 38 16.670 3.863 -5.699 1.00 11.33 H new ATOM 0 HB2 ASN A 38 17.403 3.036 -8.548 1.00 23.02 H new ATOM 0 HB3 ASN A 38 18.522 3.005 -7.200 1.00 23.02 H new ATOM 0 HD21 ASN A 38 17.180 -0.446 -7.676 1.00 42.31 H new ATOM 0 HD22 ASN A 38 18.103 0.717 -8.633 1.00 42.31 H new ATOM 595 N LYS A 39 18.530 5.614 -6.555 1.00 22.20 N ATOM 596 CA LYS A 39 19.361 6.785 -6.876 1.00 74.21 C ATOM 597 C LYS A 39 19.737 6.867 -8.350 1.00 0.33 C ATOM 598 O LYS A 39 19.935 7.971 -8.850 1.00 2.12 O ATOM 599 CB LYS A 39 20.665 6.790 -6.058 1.00 64.41 C ATOM 600 CG LYS A 39 20.487 7.452 -4.686 1.00 40.15 C ATOM 601 CD LYS A 39 21.821 7.728 -3.977 1.00 43.14 C ATOM 602 CE LYS A 39 22.383 9.138 -4.219 1.00 4.13 C ATOM 603 NZ LYS A 39 22.720 9.436 -5.631 1.00 23.20 N ATOM 0 H LYS A 39 18.955 4.998 -5.862 1.00 22.20 H new ATOM 0 HA LYS A 39 18.744 7.647 -6.622 1.00 74.21 H new ATOM 0 HB2 LYS A 39 21.011 5.765 -5.923 1.00 64.41 H new ATOM 0 HB3 LYS A 39 21.439 7.317 -6.616 1.00 64.41 H new ATOM 0 HG2 LYS A 39 19.946 8.390 -4.809 1.00 40.15 H new ATOM 0 HG3 LYS A 39 19.872 6.810 -4.055 1.00 40.15 H new ATOM 0 HD2 LYS A 39 21.687 7.581 -2.905 1.00 43.14 H new ATOM 0 HD3 LYS A 39 22.555 6.994 -4.310 1.00 43.14 H new ATOM 0 HE2 LYS A 39 21.654 9.870 -3.871 1.00 4.13 H new ATOM 0 HE3 LYS A 39 23.278 9.267 -3.611 1.00 4.13 H new ATOM 0 HZ1 LYS A 39 23.138 10.386 -5.695 1.00 23.20 H new ATOM 0 HZ2 LYS A 39 23.402 8.733 -5.981 1.00 23.20 H new ATOM 0 HZ3 LYS A 39 21.857 9.398 -6.209 1.00 23.20 H new ATOM 617 N THR A 40 19.887 5.743 -9.045 1.00 62.15 N ATOM 618 CA THR A 40 20.185 5.717 -10.475 1.00 15.24 C ATOM 619 C THR A 40 18.896 5.828 -11.313 1.00 64.25 C ATOM 620 O THR A 40 18.890 5.519 -12.510 1.00 13.32 O ATOM 621 CB THR A 40 21.082 4.498 -10.784 1.00 15.24 C ATOM 622 OG1 THR A 40 20.858 3.413 -9.894 1.00 60.21 O ATOM 623 CG2 THR A 40 22.548 4.885 -10.631 1.00 41.13 C ATOM 0 H THR A 40 19.804 4.816 -8.628 1.00 62.15 H new ATOM 0 HA THR A 40 20.761 6.594 -10.770 1.00 15.24 H new ATOM 0 HB THR A 40 20.837 4.191 -11.801 1.00 15.24 H new ATOM 0 HG1 THR A 40 21.448 2.667 -10.132 1.00 60.21 H new ATOM 0 HG21 THR A 40 23.177 4.022 -10.850 1.00 41.13 H new ATOM 0 HG22 THR A 40 22.785 5.692 -11.324 1.00 41.13 H new ATOM 0 HG23 THR A 40 22.732 5.218 -9.609 1.00 41.13 H new ATOM 631 N GLY A 41 17.780 6.254 -10.712 1.00 23.22 N ATOM 632 CA GLY A 41 16.538 6.568 -11.402 1.00 31.23 C ATOM 633 C GLY A 41 15.725 5.343 -11.804 1.00 0.52 C ATOM 634 O GLY A 41 14.603 5.497 -12.289 1.00 13.31 O ATOM 0 H GLY A 41 17.721 6.392 -9.703 1.00 23.22 H new ATOM 0 HA2 GLY A 41 15.927 7.202 -10.759 1.00 31.23 H new ATOM 0 HA3 GLY A 41 16.768 7.148 -12.296 1.00 31.23 H new ATOM 638 N TYR A 42 16.285 4.147 -11.622 1.00 62.32 N ATOM 639 CA TYR A 42 15.638 2.875 -11.888 1.00 2.54 C ATOM 640 C TYR A 42 14.489 2.643 -10.916 1.00 0.13 C ATOM 641 O TYR A 42 14.388 3.321 -9.891 1.00 34.03 O ATOM 642 CB TYR A 42 16.669 1.754 -11.749 1.00 21.13 C ATOM 643 CG TYR A 42 17.634 1.672 -12.908 1.00 14.31 C ATOM 644 CD1 TYR A 42 17.219 1.065 -14.104 1.00 41.43 C ATOM 645 CD2 TYR A 42 18.947 2.153 -12.784 1.00 40.33 C ATOM 646 CE1 TYR A 42 18.132 0.870 -15.152 1.00 13.30 C ATOM 647 CE2 TYR A 42 19.864 1.983 -13.833 1.00 52.25 C ATOM 648 CZ TYR A 42 19.460 1.313 -15.014 1.00 72.13 C ATOM 649 OH TYR A 42 20.379 0.972 -15.955 1.00 15.53 O ATOM 0 H TYR A 42 17.237 4.040 -11.272 1.00 62.32 H new ATOM 0 HA TYR A 42 15.233 2.885 -12.900 1.00 2.54 H new ATOM 0 HB2 TYR A 42 17.233 1.902 -10.828 1.00 21.13 H new ATOM 0 HB3 TYR A 42 16.147 0.802 -11.654 1.00 21.13 H new ATOM 0 HD1 TYR A 42 16.193 0.747 -14.218 1.00 41.43 H new ATOM 0 HD2 TYR A 42 19.253 2.656 -11.878 1.00 40.33 H new ATOM 0 HE1 TYR A 42 17.816 0.381 -16.062 1.00 13.30 H new ATOM 0 HE2 TYR A 42 20.872 2.361 -13.740 1.00 52.25 H new ATOM 0 HH TYR A 42 21.249 1.356 -15.717 1.00 15.53 H new ATOM 659 N SER A 43 13.667 1.646 -11.228 1.00 60.42 N ATOM 660 CA SER A 43 12.592 1.170 -10.397 1.00 2.22 C ATOM 661 C SER A 43 12.610 -0.359 -10.393 1.00 24.45 C ATOM 662 O SER A 43 13.252 -1.006 -11.232 1.00 43.34 O ATOM 663 CB SER A 43 11.294 1.756 -10.953 1.00 41.20 C ATOM 664 OG SER A 43 10.191 1.442 -10.142 1.00 42.11 O ATOM 0 H SER A 43 13.744 1.133 -12.106 1.00 60.42 H new ATOM 0 HA SER A 43 12.692 1.486 -9.359 1.00 2.22 H new ATOM 0 HB2 SER A 43 11.389 2.839 -11.034 1.00 41.20 H new ATOM 0 HB3 SER A 43 11.125 1.375 -11.960 1.00 41.20 H new ATOM 0 HG SER A 43 10.361 1.747 -9.226 1.00 42.11 H new ATOM 670 N SER A 44 11.853 -0.931 -9.471 1.00 75.42 N ATOM 671 CA SER A 44 11.444 -2.324 -9.413 1.00 41.32 C ATOM 672 C SER A 44 10.030 -2.316 -8.832 1.00 51.22 C ATOM 673 O SER A 44 9.710 -1.436 -8.024 1.00 40.33 O ATOM 674 CB SER A 44 12.424 -3.177 -8.581 1.00 72.11 C ATOM 675 OG SER A 44 13.381 -2.418 -7.860 1.00 42.21 O ATOM 0 H SER A 44 11.482 -0.395 -8.687 1.00 75.42 H new ATOM 0 HA SER A 44 11.453 -2.786 -10.400 1.00 41.32 H new ATOM 0 HB2 SER A 44 11.854 -3.785 -7.879 1.00 72.11 H new ATOM 0 HB3 SER A 44 12.947 -3.864 -9.246 1.00 72.11 H new ATOM 0 HG SER A 44 12.987 -2.111 -7.017 1.00 42.21 H new ATOM 681 N SER A 45 9.202 -3.280 -9.237 1.00 43.53 N ATOM 682 CA SER A 45 7.852 -3.484 -8.734 1.00 34.41 C ATOM 683 C SER A 45 7.797 -4.898 -8.191 1.00 31.22 C ATOM 684 O SER A 45 7.674 -5.870 -8.947 1.00 41.12 O ATOM 685 CB SER A 45 6.766 -3.209 -9.778 1.00 0.41 C ATOM 686 OG SER A 45 7.239 -3.298 -11.118 1.00 0.21 O ATOM 0 H SER A 45 9.466 -3.961 -9.949 1.00 43.53 H new ATOM 0 HA SER A 45 7.637 -2.762 -7.946 1.00 34.41 H new ATOM 0 HB2 SER A 45 5.951 -3.919 -9.640 1.00 0.41 H new ATOM 0 HB3 SER A 45 6.354 -2.214 -9.611 1.00 0.41 H new ATOM 0 HG SER A 45 6.502 -3.115 -11.738 1.00 0.21 H new ATOM 692 N VAL A 46 7.977 -4.998 -6.884 1.00 34.23 N ATOM 693 CA VAL A 46 8.109 -6.258 -6.181 1.00 13.13 C ATOM 694 C VAL A 46 6.709 -6.729 -5.799 1.00 21.23 C ATOM 695 O VAL A 46 5.923 -5.931 -5.294 1.00 15.55 O ATOM 696 CB VAL A 46 9.089 -6.060 -5.012 1.00 40.53 C ATOM 697 CG1 VAL A 46 8.649 -5.077 -3.918 1.00 51.21 C ATOM 698 CG2 VAL A 46 9.457 -7.405 -4.399 1.00 75.34 C ATOM 0 H VAL A 46 8.036 -4.185 -6.271 1.00 34.23 H new ATOM 0 HA VAL A 46 8.538 -7.055 -6.788 1.00 13.13 H new ATOM 0 HB VAL A 46 9.960 -5.586 -5.465 1.00 40.53 H new ATOM 0 HG11 VAL A 46 9.419 -5.020 -3.149 1.00 51.21 H new ATOM 0 HG12 VAL A 46 8.499 -4.090 -4.355 1.00 51.21 H new ATOM 0 HG13 VAL A 46 7.716 -5.422 -3.473 1.00 51.21 H new ATOM 0 HG21 VAL A 46 10.151 -7.251 -3.573 1.00 75.34 H new ATOM 0 HG22 VAL A 46 8.556 -7.895 -4.029 1.00 75.34 H new ATOM 0 HG23 VAL A 46 9.927 -8.033 -5.155 1.00 75.34 H new ATOM 708 N SER A 47 6.391 -7.987 -6.104 1.00 3.54 N ATOM 709 CA SER A 47 5.081 -8.604 -5.959 1.00 55.53 C ATOM 710 C SER A 47 5.201 -9.785 -5.002 1.00 31.41 C ATOM 711 O SER A 47 6.171 -10.557 -5.078 1.00 62.30 O ATOM 712 CB SER A 47 4.599 -9.022 -7.353 1.00 60.41 C ATOM 713 OG SER A 47 3.404 -9.761 -7.321 1.00 31.21 O ATOM 0 H SER A 47 7.083 -8.636 -6.480 1.00 3.54 H new ATOM 0 HA SER A 47 4.348 -7.916 -5.538 1.00 55.53 H new ATOM 0 HB2 SER A 47 4.453 -8.131 -7.963 1.00 60.41 H new ATOM 0 HB3 SER A 47 5.374 -9.616 -7.837 1.00 60.41 H new ATOM 0 HG SER A 47 3.007 -9.703 -6.427 1.00 31.21 H new ATOM 719 N ALA A 48 4.233 -9.919 -4.092 1.00 63.20 N ATOM 720 CA ALA A 48 4.257 -10.886 -3.006 1.00 13.41 C ATOM 721 C ALA A 48 2.898 -10.930 -2.313 1.00 4.11 C ATOM 722 O ALA A 48 2.126 -9.966 -2.351 1.00 14.14 O ATOM 723 CB ALA A 48 5.367 -10.505 -2.026 1.00 1.33 C ATOM 0 H ALA A 48 3.393 -9.341 -4.095 1.00 63.20 H new ATOM 0 HA ALA A 48 4.461 -11.882 -3.398 1.00 13.41 H new ATOM 0 HB1 ALA A 48 5.393 -11.225 -1.208 1.00 1.33 H new ATOM 0 HB2 ALA A 48 6.326 -10.509 -2.543 1.00 1.33 H new ATOM 0 HB3 ALA A 48 5.174 -9.509 -1.627 1.00 1.33 H new ATOM 729 N TYR A 49 2.623 -12.067 -1.678 1.00 20.03 N ATOM 730 CA TYR A 49 1.316 -12.405 -1.147 1.00 22.42 C ATOM 731 C TYR A 49 1.267 -12.142 0.344 1.00 0.52 C ATOM 732 O TYR A 49 2.224 -12.438 1.063 1.00 60.23 O ATOM 733 CB TYR A 49 1.025 -13.881 -1.414 1.00 60.44 C ATOM 734 CG TYR A 49 0.914 -14.174 -2.889 1.00 44.12 C ATOM 735 CD1 TYR A 49 -0.238 -13.752 -3.566 1.00 32.24 C ATOM 736 CD2 TYR A 49 1.965 -14.789 -3.595 1.00 20.23 C ATOM 737 CE1 TYR A 49 -0.345 -13.928 -4.950 1.00 75.34 C ATOM 738 CE2 TYR A 49 1.871 -14.956 -4.988 1.00 63.14 C ATOM 739 CZ TYR A 49 0.718 -14.507 -5.671 1.00 63.43 C ATOM 740 OH TYR A 49 0.612 -14.607 -7.023 1.00 34.14 O ATOM 0 H TYR A 49 3.323 -12.792 -1.518 1.00 20.03 H new ATOM 0 HA TYR A 49 0.565 -11.786 -1.638 1.00 22.42 H new ATOM 0 HB2 TYR A 49 1.818 -14.491 -0.981 1.00 60.44 H new ATOM 0 HB3 TYR A 49 0.097 -14.164 -0.917 1.00 60.44 H new ATOM 0 HD1 TYR A 49 -1.046 -13.290 -3.018 1.00 32.24 H new ATOM 0 HD2 TYR A 49 2.843 -15.132 -3.067 1.00 20.23 H new ATOM 0 HE1 TYR A 49 -1.243 -13.620 -5.466 1.00 75.34 H new ATOM 0 HE2 TYR A 49 2.676 -15.425 -5.534 1.00 63.14 H new ATOM 0 HH TYR A 49 1.421 -15.026 -7.384 1.00 34.14 H new ATOM 750 N GLY A 50 0.126 -11.641 0.813 1.00 0.43 N ATOM 751 CA GLY A 50 -0.063 -11.171 2.174 1.00 41.24 C ATOM 752 C GLY A 50 0.318 -12.206 3.226 1.00 42.52 C ATOM 753 O GLY A 50 0.869 -11.835 4.261 1.00 35.45 O ATOM 0 H GLY A 50 -0.711 -11.551 0.238 1.00 0.43 H new ATOM 0 HA2 GLY A 50 0.533 -10.271 2.327 1.00 41.24 H new ATOM 0 HA3 GLY A 50 -1.107 -10.889 2.312 1.00 41.24 H new ATOM 757 N ASN A 51 0.031 -13.481 2.972 1.00 33.31 N ATOM 758 CA ASN A 51 0.233 -14.599 3.893 1.00 12.23 C ATOM 759 C ASN A 51 1.578 -15.308 3.698 1.00 75.33 C ATOM 760 O ASN A 51 1.772 -16.406 4.223 1.00 13.41 O ATOM 761 CB ASN A 51 -0.938 -15.568 3.698 1.00 71.22 C ATOM 762 CG ASN A 51 -0.982 -16.703 4.700 1.00 20.15 C ATOM 763 OD1 ASN A 51 -0.911 -16.466 5.904 1.00 60.01 O ATOM 764 ND2 ASN A 51 -1.145 -17.927 4.232 1.00 73.44 N ATOM 0 H ASN A 51 -0.366 -13.777 2.080 1.00 33.31 H new ATOM 0 HA ASN A 51 0.262 -14.218 4.914 1.00 12.23 H new ATOM 0 HB2 ASN A 51 -1.871 -15.008 3.759 1.00 71.22 H new ATOM 0 HB3 ASN A 51 -0.884 -15.988 2.694 1.00 71.22 H new ATOM 0 HD21 ASN A 51 -1.216 -18.714 4.877 1.00 73.44 H new ATOM 0 HD22 ASN A 51 -1.200 -18.085 3.226 1.00 73.44 H new ATOM 771 N ASN A 52 2.500 -14.756 2.909 1.00 51.21 N ATOM 772 CA ASN A 52 3.811 -15.350 2.647 1.00 2.35 C ATOM 773 C ASN A 52 4.903 -14.293 2.807 1.00 72.02 C ATOM 774 O ASN A 52 4.639 -13.142 3.161 1.00 4.42 O ATOM 775 CB ASN A 52 3.820 -16.083 1.282 1.00 53.50 C ATOM 776 CG ASN A 52 3.761 -17.605 1.394 1.00 20.04 C ATOM 777 OD1 ASN A 52 4.314 -18.337 0.581 1.00 11.32 O ATOM 778 ND2 ASN A 52 3.067 -18.144 2.379 1.00 2.34 N ATOM 0 H ASN A 52 2.355 -13.869 2.426 1.00 51.21 H new ATOM 0 HA ASN A 52 4.028 -16.122 3.385 1.00 2.35 H new ATOM 0 HB2 ASN A 52 2.971 -15.739 0.691 1.00 53.50 H new ATOM 0 HB3 ASN A 52 4.722 -15.804 0.737 1.00 53.50 H new ATOM 0 HD21 ASN A 52 2.996 -19.159 2.457 1.00 2.34 H new ATOM 0 HD22 ASN A 52 2.602 -17.546 3.062 1.00 2.34 H new ATOM 785 N ASN A 53 6.153 -14.713 2.626 1.00 40.12 N ATOM 786 CA ASN A 53 7.354 -13.943 2.925 1.00 51.13 C ATOM 787 C ASN A 53 8.081 -13.629 1.619 1.00 54.14 C ATOM 788 O ASN A 53 7.542 -13.808 0.518 1.00 23.41 O ATOM 789 CB ASN A 53 8.250 -14.704 3.925 1.00 1.22 C ATOM 790 CG ASN A 53 7.662 -14.705 5.324 1.00 32.35 C ATOM 791 OD1 ASN A 53 7.974 -13.830 6.127 1.00 54.23 O ATOM 792 ND2 ASN A 53 6.822 -15.670 5.658 1.00 40.10 N ATOM 0 H ASN A 53 6.363 -15.638 2.251 1.00 40.12 H new ATOM 0 HA ASN A 53 7.085 -13.000 3.401 1.00 51.13 H new ATOM 0 HB2 ASN A 53 8.381 -15.731 3.586 1.00 1.22 H new ATOM 0 HB3 ASN A 53 9.239 -14.247 3.947 1.00 1.22 H new ATOM 0 HD21 ASN A 53 6.422 -15.696 6.596 1.00 40.10 H new ATOM 0 HD22 ASN A 53 6.574 -16.389 4.978 1.00 40.10 H new ATOM 799 N ASP A 54 9.276 -13.057 1.745 1.00 63.12 N ATOM 800 CA ASP A 54 9.969 -12.389 0.656 1.00 51.22 C ATOM 801 C ASP A 54 11.493 -12.425 0.797 1.00 53.41 C ATOM 802 O ASP A 54 12.185 -11.607 0.197 1.00 13.51 O ATOM 803 CB ASP A 54 9.422 -10.961 0.515 1.00 43.20 C ATOM 804 CG ASP A 54 9.756 -9.992 1.657 1.00 62.44 C ATOM 805 OD1 ASP A 54 9.724 -10.423 2.834 1.00 72.11 O ATOM 806 OD2 ASP A 54 9.923 -8.788 1.343 1.00 0.33 O ATOM 0 H ASP A 54 9.795 -13.047 2.623 1.00 63.12 H new ATOM 0 HA ASP A 54 9.769 -12.938 -0.264 1.00 51.22 H new ATOM 0 HB2 ASP A 54 9.802 -10.539 -0.415 1.00 43.20 H new ATOM 0 HB3 ASP A 54 8.338 -11.017 0.419 1.00 43.20 H new ATOM 811 N ASP A 55 12.044 -13.377 1.547 1.00 40.51 N ATOM 812 CA ASP A 55 13.467 -13.504 1.848 1.00 32.31 C ATOM 813 C ASP A 55 14.172 -14.283 0.746 1.00 60.10 C ATOM 814 O ASP A 55 14.274 -15.511 0.787 1.00 33.14 O ATOM 815 CB ASP A 55 13.714 -14.210 3.198 1.00 33.41 C ATOM 816 CG ASP A 55 13.765 -13.308 4.422 1.00 61.32 C ATOM 817 OD1 ASP A 55 14.563 -12.341 4.432 1.00 11.44 O ATOM 818 OD2 ASP A 55 13.023 -13.592 5.392 1.00 63.20 O ATOM 0 H ASP A 55 11.486 -14.113 1.980 1.00 40.51 H new ATOM 0 HA ASP A 55 13.870 -12.493 1.911 1.00 32.31 H new ATOM 0 HB2 ASP A 55 12.927 -14.949 3.348 1.00 33.41 H new ATOM 0 HB3 ASP A 55 14.656 -14.755 3.133 1.00 33.41 H new ATOM 823 N PHE A 56 14.666 -13.535 -0.231 1.00 12.42 N ATOM 824 CA PHE A 56 15.498 -14.002 -1.344 1.00 43.34 C ATOM 825 C PHE A 56 16.114 -12.868 -2.167 1.00 44.51 C ATOM 826 O PHE A 56 17.225 -13.023 -2.673 1.00 3.24 O ATOM 827 CB PHE A 56 14.735 -14.960 -2.289 1.00 73.13 C ATOM 828 CG PHE A 56 13.452 -14.510 -2.993 1.00 21.03 C ATOM 829 CD1 PHE A 56 12.565 -13.555 -2.453 1.00 14.45 C ATOM 830 CD2 PHE A 56 13.089 -15.167 -4.184 1.00 40.52 C ATOM 831 CE1 PHE A 56 11.319 -13.322 -3.059 1.00 11.12 C ATOM 832 CE2 PHE A 56 11.844 -14.925 -4.793 1.00 24.03 C ATOM 833 CZ PHE A 56 10.949 -14.005 -4.226 1.00 54.23 C ATOM 0 H PHE A 56 14.491 -12.531 -0.276 1.00 12.42 H new ATOM 0 HA PHE A 56 16.311 -14.546 -0.863 1.00 43.34 H new ATOM 0 HB2 PHE A 56 15.435 -15.269 -3.066 1.00 73.13 H new ATOM 0 HB3 PHE A 56 14.488 -15.850 -1.711 1.00 73.13 H new ATOM 0 HD1 PHE A 56 12.845 -13.000 -1.570 1.00 14.45 H new ATOM 0 HD2 PHE A 56 13.776 -15.867 -4.637 1.00 40.52 H new ATOM 0 HE1 PHE A 56 10.638 -12.608 -2.620 1.00 11.12 H new ATOM 0 HE2 PHE A 56 11.577 -15.449 -5.699 1.00 24.03 H new ATOM 0 HZ PHE A 56 9.987 -13.825 -4.683 1.00 54.23 H new ATOM 843 N SER A 57 15.390 -11.766 -2.387 1.00 40.24 N ATOM 844 CA SER A 57 15.816 -10.730 -3.317 1.00 11.24 C ATOM 845 C SER A 57 16.995 -9.936 -2.733 1.00 14.14 C ATOM 846 O SER A 57 16.811 -8.931 -2.039 1.00 44.33 O ATOM 847 CB SER A 57 14.615 -9.857 -3.681 1.00 35.15 C ATOM 848 OG SER A 57 14.914 -8.897 -4.684 1.00 0.45 O ATOM 0 H SER A 57 14.500 -11.573 -1.927 1.00 40.24 H new ATOM 0 HA SER A 57 16.184 -11.175 -4.241 1.00 11.24 H new ATOM 0 HB2 SER A 57 13.800 -10.494 -4.026 1.00 35.15 H new ATOM 0 HB3 SER A 57 14.261 -9.343 -2.787 1.00 35.15 H new ATOM 0 HG SER A 57 14.084 -8.478 -4.993 1.00 0.45 H new ATOM 854 N SER A 58 18.207 -10.361 -3.076 1.00 20.34 N ATOM 855 CA SER A 58 19.507 -9.717 -2.889 1.00 74.11 C ATOM 856 C SER A 58 19.669 -8.435 -3.737 1.00 12.53 C ATOM 857 O SER A 58 20.714 -8.195 -4.352 1.00 61.03 O ATOM 858 CB SER A 58 20.568 -10.772 -3.233 1.00 23.20 C ATOM 859 OG SER A 58 20.426 -11.881 -2.363 1.00 31.14 O ATOM 0 H SER A 58 18.316 -11.262 -3.542 1.00 20.34 H new ATOM 0 HA SER A 58 19.613 -9.376 -1.859 1.00 74.11 H new ATOM 0 HB2 SER A 58 20.457 -11.092 -4.269 1.00 23.20 H new ATOM 0 HB3 SER A 58 21.566 -10.345 -3.137 1.00 23.20 H new ATOM 0 HG SER A 58 21.101 -12.557 -2.582 1.00 31.14 H new ATOM 865 N THR A 59 18.635 -7.601 -3.834 1.00 62.04 N ATOM 866 CA THR A 59 18.671 -6.317 -4.522 1.00 13.12 C ATOM 867 C THR A 59 19.361 -5.266 -3.628 1.00 51.42 C ATOM 868 O THR A 59 19.425 -5.436 -2.414 1.00 73.14 O ATOM 869 CB THR A 59 17.224 -5.912 -4.871 1.00 62.00 C ATOM 870 OG1 THR A 59 16.252 -6.476 -4.014 1.00 22.02 O ATOM 871 CG2 THR A 59 16.884 -6.411 -6.278 1.00 44.32 C ATOM 0 H THR A 59 17.724 -7.808 -3.424 1.00 62.04 H new ATOM 0 HA THR A 59 19.247 -6.387 -5.445 1.00 13.12 H new ATOM 0 HB THR A 59 17.193 -4.827 -4.776 1.00 62.00 H new ATOM 0 HG1 THR A 59 15.904 -7.301 -4.412 1.00 22.02 H new ATOM 0 HG21 THR A 59 15.862 -6.126 -6.528 1.00 44.32 H new ATOM 0 HG22 THR A 59 17.571 -5.966 -6.998 1.00 44.32 H new ATOM 0 HG23 THR A 59 16.977 -7.497 -6.311 1.00 44.32 H new ATOM 879 N PRO A 60 19.894 -4.175 -4.203 1.00 33.34 N ATOM 880 CA PRO A 60 20.616 -3.139 -3.462 1.00 51.41 C ATOM 881 C PRO A 60 19.719 -2.349 -2.499 1.00 14.32 C ATOM 882 O PRO A 60 18.496 -2.314 -2.653 1.00 44.32 O ATOM 883 CB PRO A 60 21.219 -2.221 -4.535 1.00 55.11 C ATOM 884 CG PRO A 60 20.432 -2.527 -5.811 1.00 75.42 C ATOM 885 CD PRO A 60 19.957 -3.954 -5.635 1.00 35.11 C ATOM 0 HA PRO A 60 21.375 -3.588 -2.822 1.00 51.41 H new ATOM 0 HB2 PRO A 60 21.123 -1.172 -4.255 1.00 55.11 H new ATOM 0 HB3 PRO A 60 22.282 -2.419 -4.671 1.00 55.11 H new ATOM 0 HG2 PRO A 60 19.593 -1.842 -5.933 1.00 75.42 H new ATOM 0 HG3 PRO A 60 21.058 -2.424 -6.697 1.00 75.42 H new ATOM 0 HD2 PRO A 60 18.981 -4.101 -6.097 1.00 35.11 H new ATOM 0 HD3 PRO A 60 20.643 -4.656 -6.109 1.00 35.11 H new ATOM 893 N SER A 61 20.339 -1.605 -1.581 1.00 75.14 N ATOM 894 CA SER A 61 19.740 -0.651 -0.652 1.00 23.10 C ATOM 895 C SER A 61 19.834 0.776 -1.224 1.00 54.35 C ATOM 896 O SER A 61 19.838 1.751 -0.480 1.00 32.44 O ATOM 897 CB SER A 61 20.470 -0.728 0.707 1.00 53.41 C ATOM 898 OG SER A 61 20.866 -2.041 1.079 1.00 1.22 O ATOM 0 H SER A 61 21.350 -1.660 -1.460 1.00 75.14 H new ATOM 0 HA SER A 61 18.688 -0.900 -0.510 1.00 23.10 H new ATOM 0 HB2 SER A 61 21.353 -0.091 0.669 1.00 53.41 H new ATOM 0 HB3 SER A 61 19.818 -0.324 1.481 1.00 53.41 H new ATOM 0 HG SER A 61 20.120 -2.660 0.937 1.00 1.22 H new ATOM 904 N ASN A 62 19.996 0.935 -2.542 1.00 14.11 N ATOM 905 CA ASN A 62 20.154 2.223 -3.225 1.00 31.14 C ATOM 906 C ASN A 62 18.824 2.939 -3.487 1.00 43.41 C ATOM 907 O ASN A 62 18.741 3.742 -4.422 1.00 3.23 O ATOM 908 CB ASN A 62 20.952 2.073 -4.531 1.00 75.12 C ATOM 909 CG ASN A 62 20.294 1.172 -5.562 1.00 72.21 C ATOM 910 OD1 ASN A 62 19.301 0.507 -5.291 1.00 24.10 O ATOM 911 ND2 ASN A 62 20.873 1.083 -6.744 1.00 62.33 N ATOM 0 H ASN A 62 20.022 0.143 -3.184 1.00 14.11 H new ATOM 0 HA ASN A 62 20.719 2.853 -2.538 1.00 31.14 H new ATOM 0 HB2 ASN A 62 21.100 3.060 -4.969 1.00 75.12 H new ATOM 0 HB3 ASN A 62 21.940 1.677 -4.297 1.00 75.12 H new ATOM 0 HD21 ASN A 62 20.495 0.453 -7.451 1.00 62.33 H new ATOM 0 HD22 ASN A 62 21.699 1.645 -6.951 1.00 62.33 H new ATOM 918 N PHE A 63 17.795 2.661 -2.686 1.00 72.35 N ATOM 919 CA PHE A 63 16.536 3.403 -2.714 1.00 33.04 C ATOM 920 C PHE A 63 16.774 4.914 -2.574 1.00 75.02 C ATOM 921 O PHE A 63 17.782 5.346 -2.006 1.00 42.41 O ATOM 922 CB PHE A 63 15.563 2.872 -1.645 1.00 13.40 C ATOM 923 CG PHE A 63 15.827 3.146 -0.163 1.00 14.40 C ATOM 924 CD1 PHE A 63 17.113 3.396 0.364 1.00 42.54 C ATOM 925 CD2 PHE A 63 14.737 3.076 0.727 1.00 32.43 C ATOM 926 CE1 PHE A 63 17.303 3.573 1.746 1.00 51.43 C ATOM 927 CE2 PHE A 63 14.925 3.258 2.109 1.00 34.01 C ATOM 928 CZ PHE A 63 16.208 3.507 2.622 1.00 73.05 C ATOM 0 H PHE A 63 17.813 1.910 -1.996 1.00 72.35 H new ATOM 0 HA PHE A 63 16.071 3.244 -3.687 1.00 33.04 H new ATOM 0 HB2 PHE A 63 14.576 3.273 -1.878 1.00 13.40 H new ATOM 0 HB3 PHE A 63 15.505 1.791 -1.769 1.00 13.40 H new ATOM 0 HD1 PHE A 63 17.961 3.452 -0.302 1.00 42.54 H new ATOM 0 HD2 PHE A 63 13.746 2.880 0.344 1.00 32.43 H new ATOM 0 HE1 PHE A 63 18.293 3.760 2.134 1.00 51.43 H new ATOM 0 HE2 PHE A 63 14.079 3.206 2.778 1.00 34.01 H new ATOM 0 HZ PHE A 63 16.352 3.647 3.683 1.00 73.05 H new ATOM 938 N SER A 64 15.861 5.730 -3.105 1.00 0.13 N ATOM 939 CA SER A 64 15.941 7.179 -2.961 1.00 15.41 C ATOM 940 C SER A 64 14.588 7.885 -3.128 1.00 35.11 C ATOM 941 O SER A 64 14.472 9.052 -2.741 1.00 42.32 O ATOM 942 CB SER A 64 16.974 7.710 -3.964 1.00 3.24 C ATOM 943 OG SER A 64 17.627 8.872 -3.491 1.00 33.00 O ATOM 0 H SER A 64 15.055 5.407 -3.640 1.00 0.13 H new ATOM 0 HA SER A 64 16.253 7.401 -1.940 1.00 15.41 H new ATOM 0 HB2 SER A 64 17.714 6.936 -4.166 1.00 3.24 H new ATOM 0 HB3 SER A 64 16.479 7.932 -4.910 1.00 3.24 H new ATOM 0 HG SER A 64 16.976 9.457 -3.051 1.00 33.00 H new ATOM 949 N LYS A 65 13.554 7.231 -3.670 1.00 71.05 N ATOM 950 CA LYS A 65 12.192 7.724 -3.686 1.00 2.12 C ATOM 951 C LYS A 65 11.256 6.523 -3.674 1.00 14.34 C ATOM 952 O LYS A 65 11.683 5.397 -3.936 1.00 61.33 O ATOM 953 CB LYS A 65 11.966 8.581 -4.944 1.00 13.34 C ATOM 954 CG LYS A 65 11.030 9.730 -4.582 1.00 11.51 C ATOM 955 CD LYS A 65 10.462 10.472 -5.799 1.00 11.30 C ATOM 956 CE LYS A 65 11.545 11.194 -6.617 1.00 62.03 C ATOM 957 NZ LYS A 65 12.022 12.434 -5.957 1.00 63.03 N ATOM 0 H LYS A 65 13.655 6.321 -4.119 1.00 71.05 H new ATOM 0 HA LYS A 65 11.997 8.349 -2.814 1.00 2.12 H new ATOM 0 HB2 LYS A 65 12.915 8.968 -5.315 1.00 13.34 H new ATOM 0 HB3 LYS A 65 11.534 7.977 -5.742 1.00 13.34 H new ATOM 0 HG2 LYS A 65 10.204 9.340 -3.988 1.00 11.51 H new ATOM 0 HG3 LYS A 65 11.567 10.440 -3.953 1.00 11.51 H new ATOM 0 HD2 LYS A 65 9.942 9.762 -6.441 1.00 11.30 H new ATOM 0 HD3 LYS A 65 9.722 11.199 -5.463 1.00 11.30 H new ATOM 0 HE2 LYS A 65 12.388 10.521 -6.772 1.00 62.03 H new ATOM 0 HE3 LYS A 65 11.148 11.440 -7.602 1.00 62.03 H new ATOM 0 HZ1 LYS A 65 12.751 12.883 -6.548 1.00 63.03 H new ATOM 0 HZ2 LYS A 65 11.224 13.090 -5.832 1.00 63.03 H new ATOM 0 HZ3 LYS A 65 12.426 12.199 -5.028 1.00 63.03 H new ATOM 971 N LEU A 66 9.971 6.764 -3.443 1.00 40.12 N ATOM 972 CA LEU A 66 8.921 5.771 -3.599 1.00 0.22 C ATOM 973 C LEU A 66 8.221 6.024 -4.928 1.00 74.31 C ATOM 974 O LEU A 66 8.429 7.063 -5.555 1.00 4.13 O ATOM 975 CB LEU A 66 7.945 5.849 -2.410 1.00 34.11 C ATOM 976 CG LEU A 66 8.425 5.146 -1.125 1.00 13.55 C ATOM 977 CD1 LEU A 66 8.515 3.631 -1.328 1.00 4.23 C ATOM 978 CD2 LEU A 66 9.754 5.668 -0.554 1.00 2.11 C ATOM 0 H LEU A 66 9.626 7.673 -3.136 1.00 40.12 H new ATOM 0 HA LEU A 66 9.336 4.763 -3.607 1.00 0.22 H new ATOM 0 HB2 LEU A 66 7.756 6.898 -2.183 1.00 34.11 H new ATOM 0 HB3 LEU A 66 6.993 5.412 -2.711 1.00 34.11 H new ATOM 0 HG LEU A 66 7.663 5.388 -0.384 1.00 13.55 H new ATOM 0 HD11 LEU A 66 8.856 3.160 -0.406 1.00 4.23 H new ATOM 0 HD12 LEU A 66 7.533 3.240 -1.593 1.00 4.23 H new ATOM 0 HD13 LEU A 66 9.221 3.413 -2.130 1.00 4.23 H new ATOM 0 HD21 LEU A 66 10.006 5.111 0.348 1.00 2.11 H new ATOM 0 HD22 LEU A 66 10.544 5.538 -1.294 1.00 2.11 H new ATOM 0 HD23 LEU A 66 9.655 6.726 -0.311 1.00 2.11 H new ATOM 990 N LYS A 67 7.410 5.056 -5.352 1.00 23.04 N ATOM 991 CA LYS A 67 6.501 5.148 -6.486 1.00 23.45 C ATOM 992 C LYS A 67 5.177 4.465 -6.094 1.00 63.40 C ATOM 993 O LYS A 67 4.967 4.140 -4.923 1.00 42.22 O ATOM 994 CB LYS A 67 7.172 4.528 -7.727 1.00 43.34 C ATOM 995 CG LYS A 67 6.670 5.158 -9.041 1.00 43.44 C ATOM 996 CD LYS A 67 6.624 4.151 -10.191 1.00 53.40 C ATOM 997 CE LYS A 67 7.991 3.857 -10.810 1.00 44.13 C ATOM 998 NZ LYS A 67 8.159 4.536 -12.111 1.00 32.42 N ATOM 0 H LYS A 67 7.369 4.147 -4.892 1.00 23.04 H new ATOM 0 HA LYS A 67 6.273 6.182 -6.745 1.00 23.45 H new ATOM 0 HB2 LYS A 67 8.252 4.656 -7.655 1.00 43.34 H new ATOM 0 HB3 LYS A 67 6.978 3.455 -7.744 1.00 43.34 H new ATOM 0 HG2 LYS A 67 5.674 5.572 -8.885 1.00 43.44 H new ATOM 0 HG3 LYS A 67 7.321 5.988 -9.315 1.00 43.44 H new ATOM 0 HD2 LYS A 67 6.192 3.218 -9.828 1.00 53.40 H new ATOM 0 HD3 LYS A 67 5.958 4.530 -10.967 1.00 53.40 H new ATOM 0 HE2 LYS A 67 8.777 4.180 -10.127 1.00 44.13 H new ATOM 0 HE3 LYS A 67 8.106 2.781 -10.943 1.00 44.13 H new ATOM 0 HZ1 LYS A 67 9.097 4.313 -12.500 1.00 32.42 H new ATOM 0 HZ2 LYS A 67 7.424 4.209 -12.771 1.00 32.42 H new ATOM 0 HZ3 LYS A 67 8.074 5.564 -11.980 1.00 32.42 H new ATOM 1012 N GLU A 68 4.271 4.303 -7.051 1.00 33.25 N ATOM 1013 CA GLU A 68 2.941 3.732 -6.882 1.00 41.53 C ATOM 1014 C GLU A 68 2.934 2.244 -6.489 1.00 2.22 C ATOM 1015 O GLU A 68 3.980 1.600 -6.384 1.00 14.42 O ATOM 1016 CB GLU A 68 2.153 4.015 -8.168 1.00 40.32 C ATOM 1017 CG GLU A 68 2.638 3.268 -9.415 1.00 73.11 C ATOM 1018 CD GLU A 68 2.340 4.110 -10.659 1.00 71.20 C ATOM 1019 OE1 GLU A 68 1.164 4.387 -10.975 1.00 43.44 O ATOM 1020 OE2 GLU A 68 3.307 4.607 -11.285 1.00 21.44 O ATOM 0 H GLU A 68 4.454 4.581 -8.015 1.00 33.25 H new ATOM 0 HA GLU A 68 2.459 4.209 -6.029 1.00 41.53 H new ATOM 0 HB2 GLU A 68 1.107 3.760 -7.996 1.00 40.32 H new ATOM 0 HB3 GLU A 68 2.191 5.086 -8.369 1.00 40.32 H new ATOM 0 HG2 GLU A 68 3.708 3.072 -9.342 1.00 73.11 H new ATOM 0 HG3 GLU A 68 2.141 2.301 -9.489 1.00 73.11 H new ATOM 1027 N ILE A 69 1.737 1.730 -6.209 1.00 23.12 N ATOM 1028 CA ILE A 69 1.423 0.396 -5.729 1.00 62.02 C ATOM 1029 C ILE A 69 0.185 -0.085 -6.501 1.00 13.55 C ATOM 1030 O ILE A 69 -0.814 0.641 -6.603 1.00 75.01 O ATOM 1031 CB ILE A 69 1.162 0.418 -4.205 1.00 0.14 C ATOM 1032 CG1 ILE A 69 2.286 1.125 -3.416 1.00 31.24 C ATOM 1033 CG2 ILE A 69 1.003 -1.002 -3.634 1.00 51.13 C ATOM 1034 CD1 ILE A 69 1.981 2.586 -3.059 1.00 20.31 C ATOM 0 H ILE A 69 0.892 2.290 -6.324 1.00 23.12 H new ATOM 0 HA ILE A 69 2.257 -0.286 -5.897 1.00 62.02 H new ATOM 0 HB ILE A 69 0.235 0.978 -4.084 1.00 0.14 H new ATOM 0 HG12 ILE A 69 2.474 0.570 -2.497 1.00 31.24 H new ATOM 0 HG13 ILE A 69 3.204 1.090 -4.003 1.00 31.24 H new ATOM 0 HG21 ILE A 69 0.821 -0.944 -2.561 1.00 51.13 H new ATOM 0 HG22 ILE A 69 0.161 -1.497 -4.119 1.00 51.13 H new ATOM 0 HG23 ILE A 69 1.914 -1.572 -3.817 1.00 51.13 H new ATOM 0 HD11 ILE A 69 2.820 3.008 -2.506 1.00 20.31 H new ATOM 0 HD12 ILE A 69 1.823 3.159 -3.973 1.00 20.31 H new ATOM 0 HD13 ILE A 69 1.082 2.630 -2.444 1.00 20.31 H new ATOM 1046 N ASP A 70 0.220 -1.323 -6.990 1.00 53.51 N ATOM 1047 CA ASP A 70 -0.875 -2.002 -7.673 1.00 20.45 C ATOM 1048 C ASP A 70 -1.277 -3.177 -6.767 1.00 2.23 C ATOM 1049 O ASP A 70 -0.479 -4.084 -6.527 1.00 53.10 O ATOM 1050 CB ASP A 70 -0.461 -2.445 -9.092 1.00 54.10 C ATOM 1051 CG ASP A 70 -0.607 -1.334 -10.151 1.00 61.33 C ATOM 1052 OD1 ASP A 70 -1.739 -1.084 -10.629 1.00 0.22 O ATOM 1053 OD2 ASP A 70 0.417 -0.732 -10.558 1.00 31.41 O ATOM 0 H ASP A 70 1.053 -1.906 -6.916 1.00 53.51 H new ATOM 0 HA ASP A 70 -1.728 -1.342 -7.829 1.00 20.45 H new ATOM 0 HB2 ASP A 70 0.575 -2.782 -9.071 1.00 54.10 H new ATOM 0 HB3 ASP A 70 -1.068 -3.300 -9.388 1.00 54.10 H new ATOM 1058 N LEU A 71 -2.478 -3.116 -6.184 1.00 21.44 N ATOM 1059 CA LEU A 71 -2.992 -4.139 -5.263 1.00 4.33 C ATOM 1060 C LEU A 71 -3.802 -5.186 -6.017 1.00 44.41 C ATOM 1061 O LEU A 71 -4.314 -4.938 -7.114 1.00 62.41 O ATOM 1062 CB LEU A 71 -3.895 -3.489 -4.190 1.00 21.02 C ATOM 1063 CG LEU A 71 -3.249 -3.395 -2.794 1.00 34.31 C ATOM 1064 CD1 LEU A 71 -1.922 -2.635 -2.787 1.00 43.22 C ATOM 1065 CD2 LEU A 71 -4.217 -2.720 -1.816 1.00 55.11 C ATOM 0 H LEU A 71 -3.130 -2.347 -6.339 1.00 21.44 H new ATOM 0 HA LEU A 71 -2.137 -4.618 -4.786 1.00 4.33 H new ATOM 0 HB2 LEU A 71 -4.168 -2.487 -4.520 1.00 21.02 H new ATOM 0 HB3 LEU A 71 -4.819 -4.062 -4.113 1.00 21.02 H new ATOM 0 HG LEU A 71 -3.035 -4.419 -2.487 1.00 34.31 H new ATOM 0 HD11 LEU A 71 -1.524 -2.608 -1.773 1.00 43.22 H new ATOM 0 HD12 LEU A 71 -1.211 -3.138 -3.442 1.00 43.22 H new ATOM 0 HD13 LEU A 71 -2.084 -1.617 -3.141 1.00 43.22 H new ATOM 0 HD21 LEU A 71 -3.754 -2.657 -0.831 1.00 55.11 H new ATOM 0 HD22 LEU A 71 -4.453 -1.717 -2.171 1.00 55.11 H new ATOM 0 HD23 LEU A 71 -5.134 -3.306 -1.749 1.00 55.11 H new ATOM 1077 N LYS A 72 -4.013 -6.334 -5.379 1.00 44.14 N ATOM 1078 CA LYS A 72 -4.958 -7.365 -5.775 1.00 51.13 C ATOM 1079 C LYS A 72 -5.541 -7.983 -4.519 1.00 42.44 C ATOM 1080 O LYS A 72 -4.875 -8.091 -3.488 1.00 72.40 O ATOM 1081 CB LYS A 72 -4.237 -8.478 -6.532 1.00 43.33 C ATOM 1082 CG LYS A 72 -3.649 -8.003 -7.856 1.00 32.25 C ATOM 1083 CD LYS A 72 -2.970 -9.162 -8.577 1.00 75.10 C ATOM 1084 CE LYS A 72 -2.247 -8.654 -9.822 1.00 75.31 C ATOM 1085 NZ LYS A 72 -3.172 -7.952 -10.733 1.00 20.35 N ATOM 0 H LYS A 72 -3.503 -6.579 -4.531 1.00 44.14 H new ATOM 0 HA LYS A 72 -5.727 -6.920 -6.406 1.00 51.13 H new ATOM 0 HB2 LYS A 72 -3.439 -8.879 -5.907 1.00 43.33 H new ATOM 0 HB3 LYS A 72 -4.934 -9.294 -6.721 1.00 43.33 H new ATOM 0 HG2 LYS A 72 -4.437 -7.586 -8.484 1.00 32.25 H new ATOM 0 HG3 LYS A 72 -2.929 -7.205 -7.677 1.00 32.25 H new ATOM 0 HD2 LYS A 72 -2.261 -9.651 -7.909 1.00 75.10 H new ATOM 0 HD3 LYS A 72 -3.711 -9.910 -8.857 1.00 75.10 H new ATOM 0 HE2 LYS A 72 -1.442 -7.980 -9.528 1.00 75.31 H new ATOM 0 HE3 LYS A 72 -1.786 -9.492 -10.344 1.00 75.31 H new ATOM 0 HZ1 LYS A 72 -2.725 -7.844 -11.666 1.00 20.35 H new ATOM 0 HZ2 LYS A 72 -4.048 -8.503 -10.831 1.00 20.35 H new ATOM 0 HZ3 LYS A 72 -3.395 -7.013 -10.345 1.00 20.35 H new ATOM 1099 N LYS A 73 -6.784 -8.427 -4.610 1.00 23.01 N ATOM 1100 CA LYS A 73 -7.382 -9.371 -3.694 1.00 11.44 C ATOM 1101 C LYS A 73 -8.376 -10.204 -4.477 1.00 24.33 C ATOM 1102 O LYS A 73 -8.839 -9.753 -5.533 1.00 24.24 O ATOM 1103 CB LYS A 73 -8.075 -8.616 -2.561 1.00 41.33 C ATOM 1104 CG LYS A 73 -9.294 -7.828 -3.073 1.00 64.31 C ATOM 1105 CD LYS A 73 -9.819 -6.913 -1.983 1.00 14.15 C ATOM 1106 CE LYS A 73 -9.037 -5.603 -1.874 1.00 61.42 C ATOM 1107 NZ LYS A 73 -9.250 -4.729 -3.043 1.00 73.13 N ATOM 0 H LYS A 73 -7.421 -8.128 -5.349 1.00 23.01 H new ATOM 0 HA LYS A 73 -6.627 -10.020 -3.250 1.00 11.44 H new ATOM 0 HB2 LYS A 73 -8.392 -9.321 -1.793 1.00 41.33 H new ATOM 0 HB3 LYS A 73 -7.368 -7.931 -2.093 1.00 41.33 H new ATOM 0 HG2 LYS A 73 -9.016 -7.241 -3.948 1.00 64.31 H new ATOM 0 HG3 LYS A 73 -10.077 -8.518 -3.388 1.00 64.31 H new ATOM 0 HD2 LYS A 73 -10.868 -6.689 -2.179 1.00 14.15 H new ATOM 0 HD3 LYS A 73 -9.778 -7.435 -1.027 1.00 14.15 H new ATOM 0 HE2 LYS A 73 -9.338 -5.076 -0.969 1.00 61.42 H new ATOM 0 HE3 LYS A 73 -7.974 -5.823 -1.776 1.00 61.42 H new ATOM 0 HZ1 LYS A 73 -8.888 -3.776 -2.835 1.00 73.13 H new ATOM 0 HZ2 LYS A 73 -8.745 -5.119 -3.865 1.00 73.13 H new ATOM 0 HZ3 LYS A 73 -10.267 -4.675 -3.255 1.00 73.13 H new ATOM 1121 N ASP A 74 -8.776 -11.339 -3.924 1.00 13.41 N ATOM 1122 CA ASP A 74 -9.772 -12.217 -4.519 1.00 35.23 C ATOM 1123 C ASP A 74 -11.072 -12.172 -3.711 1.00 15.12 C ATOM 1124 O ASP A 74 -11.281 -11.253 -2.912 1.00 13.22 O ATOM 1125 CB ASP A 74 -9.177 -13.617 -4.688 1.00 74.14 C ATOM 1126 CG ASP A 74 -9.730 -14.253 -5.948 1.00 60.32 C ATOM 1127 OD1 ASP A 74 -9.308 -13.840 -7.048 1.00 71.13 O ATOM 1128 OD2 ASP A 74 -10.571 -15.170 -5.820 1.00 4.23 O ATOM 0 H ASP A 74 -8.412 -11.681 -3.035 1.00 13.41 H new ATOM 0 HA ASP A 74 -10.043 -11.876 -5.518 1.00 35.23 H new ATOM 0 HB2 ASP A 74 -8.090 -13.557 -4.745 1.00 74.14 H new ATOM 0 HB3 ASP A 74 -9.417 -14.233 -3.821 1.00 74.14 H new ATOM 1133 N ASN A 75 -11.995 -13.110 -3.937 1.00 53.51 N ATOM 1134 CA ASN A 75 -13.267 -13.155 -3.223 1.00 3.15 C ATOM 1135 C ASN A 75 -13.023 -13.759 -1.847 1.00 44.43 C ATOM 1136 O ASN A 75 -13.128 -14.971 -1.659 1.00 63.22 O ATOM 1137 CB ASN A 75 -14.353 -13.951 -3.952 1.00 22.11 C ATOM 1138 CG ASN A 75 -14.863 -13.344 -5.236 1.00 75.33 C ATOM 1139 OD1 ASN A 75 -15.064 -14.043 -6.227 1.00 51.20 O ATOM 1140 ND2 ASN A 75 -15.185 -12.063 -5.225 1.00 22.12 N ATOM 0 H ASN A 75 -11.879 -13.858 -4.621 1.00 53.51 H new ATOM 0 HA ASN A 75 -13.639 -12.133 -3.152 1.00 3.15 H new ATOM 0 HB2 ASN A 75 -13.963 -14.945 -4.172 1.00 22.11 H new ATOM 0 HB3 ASN A 75 -15.197 -14.083 -3.275 1.00 22.11 H new ATOM 0 HD21 ASN A 75 -15.609 -11.637 -6.049 1.00 22.12 H new ATOM 0 HD22 ASN A 75 -15.010 -11.500 -4.392 1.00 22.12 H new ATOM 1147 N VAL A 76 -12.681 -12.908 -0.889 1.00 43.14 N ATOM 1148 CA VAL A 76 -12.465 -13.290 0.493 1.00 60.00 C ATOM 1149 C VAL A 76 -13.744 -13.920 1.084 1.00 43.54 C ATOM 1150 O VAL A 76 -14.848 -13.601 0.622 1.00 32.35 O ATOM 1151 CB VAL A 76 -11.970 -12.064 1.291 1.00 32.04 C ATOM 1152 CG1 VAL A 76 -10.822 -11.336 0.564 1.00 72.00 C ATOM 1153 CG2 VAL A 76 -13.106 -11.098 1.632 1.00 11.55 C ATOM 0 H VAL A 76 -12.544 -11.912 -1.059 1.00 43.14 H new ATOM 0 HA VAL A 76 -11.691 -14.055 0.556 1.00 60.00 H new ATOM 0 HB VAL A 76 -11.578 -12.446 2.234 1.00 32.04 H new ATOM 0 HG11 VAL A 76 -10.501 -10.479 1.157 1.00 72.00 H new ATOM 0 HG12 VAL A 76 -9.984 -12.020 0.431 1.00 72.00 H new ATOM 0 HG13 VAL A 76 -11.168 -10.993 -0.411 1.00 72.00 H new ATOM 0 HG21 VAL A 76 -12.708 -10.252 2.193 1.00 11.55 H new ATOM 0 HG22 VAL A 76 -13.567 -10.739 0.712 1.00 11.55 H new ATOM 0 HG23 VAL A 76 -13.854 -11.614 2.235 1.00 11.55 H new ATOM 1163 N PRO A 77 -13.616 -14.758 2.119 1.00 32.34 N ATOM 1164 CA PRO A 77 -14.733 -15.366 2.831 1.00 2.11 C ATOM 1165 C PRO A 77 -15.442 -14.371 3.760 1.00 51.30 C ATOM 1166 O PRO A 77 -15.151 -13.173 3.814 1.00 55.44 O ATOM 1167 CB PRO A 77 -14.095 -16.511 3.627 1.00 43.20 C ATOM 1168 CG PRO A 77 -12.736 -15.917 3.970 1.00 13.25 C ATOM 1169 CD PRO A 77 -12.360 -15.246 2.663 1.00 53.51 C ATOM 0 HA PRO A 77 -15.509 -15.709 2.146 1.00 2.11 H new ATOM 0 HB2 PRO A 77 -14.670 -16.762 4.518 1.00 43.20 H new ATOM 0 HB3 PRO A 77 -14.008 -17.423 3.036 1.00 43.20 H new ATOM 0 HG2 PRO A 77 -12.795 -15.206 4.794 1.00 13.25 H new ATOM 0 HG3 PRO A 77 -12.016 -16.682 4.260 1.00 13.25 H new ATOM 0 HD2 PRO A 77 -11.656 -14.430 2.826 1.00 53.51 H new ATOM 0 HD3 PRO A 77 -11.881 -15.949 1.982 1.00 53.51 H new ATOM 1177 N SER A 78 -16.386 -14.900 4.534 1.00 31.34 N ATOM 1178 CA SER A 78 -17.324 -14.206 5.400 1.00 35.31 C ATOM 1179 C SER A 78 -16.689 -13.303 6.456 1.00 13.34 C ATOM 1180 O SER A 78 -17.409 -12.469 7.016 1.00 60.30 O ATOM 1181 CB SER A 78 -18.132 -15.270 6.137 1.00 41.14 C ATOM 1182 OG SER A 78 -18.519 -16.321 5.266 1.00 35.04 O ATOM 0 H SER A 78 -16.522 -15.910 4.572 1.00 31.34 H new ATOM 0 HA SER A 78 -17.916 -13.556 4.756 1.00 35.31 H new ATOM 0 HB2 SER A 78 -17.540 -15.675 6.958 1.00 41.14 H new ATOM 0 HB3 SER A 78 -19.019 -14.815 6.578 1.00 41.14 H new ATOM 0 HG SER A 78 -19.033 -16.988 5.767 1.00 35.04 H new ATOM 1188 N ASP A 79 -15.392 -13.459 6.743 1.00 24.44 N ATOM 1189 CA ASP A 79 -14.651 -12.591 7.656 1.00 43.22 C ATOM 1190 C ASP A 79 -14.799 -11.156 7.181 1.00 52.20 C ATOM 1191 O ASP A 79 -15.119 -10.269 7.973 1.00 61.12 O ATOM 1192 CB ASP A 79 -13.150 -12.932 7.693 1.00 54.21 C ATOM 1193 CG ASP A 79 -12.869 -14.308 8.282 1.00 1.25 C ATOM 1194 OD1 ASP A 79 -12.930 -14.487 9.520 1.00 31.24 O ATOM 1195 OD2 ASP A 79 -12.616 -15.234 7.482 1.00 52.13 O ATOM 0 H ASP A 79 -14.822 -14.203 6.340 1.00 24.44 H new ATOM 0 HA ASP A 79 -15.057 -12.733 8.657 1.00 43.22 H new ATOM 0 HB2 ASP A 79 -12.747 -12.886 6.681 1.00 54.21 H new ATOM 0 HB3 ASP A 79 -12.626 -12.177 8.279 1.00 54.21 H new ATOM 1200 N ASP A 80 -14.627 -10.933 5.873 1.00 35.01 N ATOM 1201 CA ASP A 80 -14.324 -9.605 5.342 1.00 62.20 C ATOM 1202 C ASP A 80 -15.078 -9.279 4.059 1.00 44.33 C ATOM 1203 O ASP A 80 -14.962 -8.172 3.529 1.00 41.22 O ATOM 1204 CB ASP A 80 -12.807 -9.419 5.176 1.00 51.30 C ATOM 1205 CG ASP A 80 -12.216 -8.572 6.304 1.00 51.13 C ATOM 1206 OD1 ASP A 80 -12.766 -7.482 6.570 1.00 41.22 O ATOM 1207 OD2 ASP A 80 -11.175 -8.981 6.870 1.00 61.03 O ATOM 0 H ASP A 80 -14.694 -11.661 5.162 1.00 35.01 H new ATOM 0 HA ASP A 80 -14.681 -8.885 6.079 1.00 62.20 H new ATOM 0 HB2 ASP A 80 -12.320 -10.394 5.159 1.00 51.30 H new ATOM 0 HB3 ASP A 80 -12.601 -8.943 4.217 1.00 51.30 H new ATOM 1212 N PHE A 81 -15.902 -10.216 3.585 1.00 15.22 N ATOM 1213 CA PHE A 81 -16.675 -10.136 2.353 1.00 60.31 C ATOM 1214 C PHE A 81 -17.390 -8.777 2.255 1.00 73.41 C ATOM 1215 O PHE A 81 -17.384 -8.093 1.225 1.00 44.41 O ATOM 1216 CB PHE A 81 -17.677 -11.308 2.367 1.00 55.21 C ATOM 1217 CG PHE A 81 -18.000 -11.889 1.010 1.00 35.35 C ATOM 1218 CD1 PHE A 81 -18.317 -11.053 -0.075 1.00 72.32 C ATOM 1219 CD2 PHE A 81 -17.956 -13.282 0.820 1.00 33.05 C ATOM 1220 CE1 PHE A 81 -18.515 -11.602 -1.349 1.00 42.42 C ATOM 1221 CE2 PHE A 81 -18.190 -13.826 -0.452 1.00 11.45 C ATOM 1222 CZ PHE A 81 -18.465 -12.991 -1.547 1.00 20.34 C ATOM 0 H PHE A 81 -16.053 -11.095 4.079 1.00 15.22 H new ATOM 0 HA PHE A 81 -16.029 -10.211 1.478 1.00 60.31 H new ATOM 0 HB2 PHE A 81 -17.277 -12.101 2.999 1.00 55.21 H new ATOM 0 HB3 PHE A 81 -18.604 -10.969 2.830 1.00 55.21 H new ATOM 0 HD1 PHE A 81 -18.408 -9.987 0.073 1.00 72.32 H new ATOM 0 HD2 PHE A 81 -17.742 -13.934 1.654 1.00 33.05 H new ATOM 0 HE1 PHE A 81 -18.708 -10.950 -2.188 1.00 42.42 H new ATOM 0 HE2 PHE A 81 -18.158 -14.897 -0.590 1.00 11.45 H new ATOM 0 HZ PHE A 81 -18.636 -13.411 -2.527 1.00 20.34 H new ATOM 1232 N ASN A 82 -18.016 -8.382 3.365 1.00 61.14 N ATOM 1233 CA ASN A 82 -18.928 -7.256 3.437 1.00 71.32 C ATOM 1234 C ASN A 82 -18.330 -6.095 4.240 1.00 63.24 C ATOM 1235 O ASN A 82 -19.032 -5.108 4.459 1.00 71.04 O ATOM 1236 CB ASN A 82 -20.289 -7.716 3.982 1.00 4.51 C ATOM 1237 CG ASN A 82 -20.953 -8.812 3.156 1.00 44.44 C ATOM 1238 OD1 ASN A 82 -21.487 -8.557 2.073 1.00 40.41 O ATOM 1239 ND2 ASN A 82 -20.916 -10.051 3.627 1.00 13.44 N ATOM 0 H ASN A 82 -17.894 -8.855 4.260 1.00 61.14 H new ATOM 0 HA ASN A 82 -19.089 -6.870 2.431 1.00 71.32 H new ATOM 0 HB2 ASN A 82 -20.157 -8.075 5.003 1.00 4.51 H new ATOM 0 HB3 ASN A 82 -20.958 -6.857 4.030 1.00 4.51 H new ATOM 0 HD21 ASN A 82 -21.333 -10.813 3.092 1.00 13.44 H new ATOM 0 HD22 ASN A 82 -20.470 -10.242 4.524 1.00 13.44 H new ATOM 1246 N THR A 83 -17.061 -6.166 4.663 1.00 40.22 N ATOM 1247 CA THR A 83 -16.433 -5.100 5.438 1.00 23.04 C ATOM 1248 C THR A 83 -16.347 -3.796 4.625 1.00 73.33 C ATOM 1249 O THR A 83 -16.406 -3.778 3.386 1.00 34.25 O ATOM 1250 CB THR A 83 -15.065 -5.578 5.974 1.00 51.11 C ATOM 1251 OG1 THR A 83 -15.254 -6.727 6.759 1.00 40.52 O ATOM 1252 CG2 THR A 83 -14.351 -4.581 6.895 1.00 55.20 C ATOM 0 H THR A 83 -16.449 -6.960 4.477 1.00 40.22 H new ATOM 0 HA THR A 83 -17.054 -4.866 6.303 1.00 23.04 H new ATOM 0 HB THR A 83 -14.457 -5.733 5.083 1.00 51.11 H new ATOM 0 HG1 THR A 83 -14.385 -7.061 7.064 1.00 40.52 H new ATOM 0 HG21 THR A 83 -13.400 -5.003 7.221 1.00 55.20 H new ATOM 0 HG22 THR A 83 -14.169 -3.652 6.354 1.00 55.20 H new ATOM 0 HG23 THR A 83 -14.975 -4.378 7.765 1.00 55.20 H new ATOM 1260 N THR A 84 -16.159 -2.685 5.331 1.00 34.22 N ATOM 1261 CA THR A 84 -15.985 -1.352 4.785 1.00 52.23 C ATOM 1262 C THR A 84 -14.775 -0.693 5.460 1.00 22.21 C ATOM 1263 O THR A 84 -14.389 -1.085 6.564 1.00 3.41 O ATOM 1264 CB THR A 84 -17.298 -0.566 4.959 1.00 32.02 C ATOM 1265 OG1 THR A 84 -17.827 -0.674 6.276 1.00 75.01 O ATOM 1266 CG2 THR A 84 -18.384 -1.061 3.993 1.00 44.32 C ATOM 0 H THR A 84 -16.123 -2.696 6.350 1.00 34.22 H new ATOM 0 HA THR A 84 -15.774 -1.376 3.716 1.00 52.23 H new ATOM 0 HB THR A 84 -17.039 0.472 4.750 1.00 32.02 H new ATOM 0 HG1 THR A 84 -18.658 -0.158 6.338 1.00 75.01 H new ATOM 0 HG21 THR A 84 -19.296 -0.484 4.144 1.00 44.32 H new ATOM 0 HG22 THR A 84 -18.042 -0.936 2.966 1.00 44.32 H new ATOM 0 HG23 THR A 84 -18.586 -2.115 4.182 1.00 44.32 H new ATOM 1274 N VAL A 85 -14.173 0.279 4.780 1.00 35.25 N ATOM 1275 CA VAL A 85 -13.009 1.044 5.234 1.00 61.33 C ATOM 1276 C VAL A 85 -13.283 2.537 5.073 1.00 64.01 C ATOM 1277 O VAL A 85 -13.640 2.988 3.981 1.00 74.02 O ATOM 1278 CB VAL A 85 -11.719 0.649 4.479 1.00 64.14 C ATOM 1279 CG1 VAL A 85 -10.863 -0.380 5.199 1.00 75.01 C ATOM 1280 CG2 VAL A 85 -11.964 0.120 3.060 1.00 12.22 C ATOM 0 H VAL A 85 -14.495 0.570 3.857 1.00 35.25 H new ATOM 0 HA VAL A 85 -12.846 0.811 6.286 1.00 61.33 H new ATOM 0 HB VAL A 85 -11.185 1.598 4.433 1.00 64.14 H new ATOM 0 HG11 VAL A 85 -9.979 -0.600 4.601 1.00 75.01 H new ATOM 0 HG12 VAL A 85 -10.557 0.015 6.168 1.00 75.01 H new ATOM 0 HG13 VAL A 85 -11.439 -1.294 5.345 1.00 75.01 H new ATOM 0 HG21 VAL A 85 -11.011 -0.135 2.597 1.00 12.22 H new ATOM 0 HG22 VAL A 85 -12.594 -0.768 3.107 1.00 12.22 H new ATOM 0 HG23 VAL A 85 -12.462 0.887 2.467 1.00 12.22 H new ATOM 1290 N SER A 86 -13.084 3.320 6.135 1.00 34.21 N ATOM 1291 CA SER A 86 -13.131 4.773 6.069 1.00 31.33 C ATOM 1292 C SER A 86 -12.050 5.186 5.072 1.00 33.14 C ATOM 1293 O SER A 86 -10.957 4.620 5.108 1.00 2.33 O ATOM 1294 CB SER A 86 -12.907 5.352 7.469 1.00 4.44 C ATOM 1295 OG SER A 86 -13.164 6.739 7.489 1.00 45.43 O ATOM 0 H SER A 86 -12.885 2.957 7.067 1.00 34.21 H new ATOM 0 HA SER A 86 -14.096 5.154 5.735 1.00 31.33 H new ATOM 0 HB2 SER A 86 -13.558 4.848 8.183 1.00 4.44 H new ATOM 0 HB3 SER A 86 -11.881 5.164 7.784 1.00 4.44 H new ATOM 0 HG SER A 86 -13.637 6.996 6.670 1.00 45.43 H new ATOM 1301 N GLY A 87 -12.360 6.093 4.145 1.00 0.41 N ATOM 1302 CA GLY A 87 -11.402 6.577 3.157 1.00 23.41 C ATOM 1303 C GLY A 87 -10.236 7.213 3.907 1.00 73.13 C ATOM 1304 O GLY A 87 -9.084 6.817 3.757 1.00 22.03 O ATOM 0 H GLY A 87 -13.286 6.512 4.060 1.00 0.41 H new ATOM 0 HA2 GLY A 87 -11.051 5.756 2.532 1.00 23.41 H new ATOM 0 HA3 GLY A 87 -11.872 7.304 2.494 1.00 23.41 H new ATOM 1308 N GLU A 88 -10.583 8.120 4.805 1.00 44.14 N ATOM 1309 CA GLU A 88 -9.703 8.856 5.682 1.00 0.43 C ATOM 1310 C GLU A 88 -8.791 7.878 6.430 1.00 42.53 C ATOM 1311 O GLU A 88 -7.578 7.922 6.236 1.00 64.34 O ATOM 1312 CB GLU A 88 -10.621 9.717 6.565 1.00 4.35 C ATOM 1313 CG GLU A 88 -9.987 10.918 7.269 1.00 11.24 C ATOM 1314 CD GLU A 88 -10.939 11.555 8.287 1.00 3.13 C ATOM 1315 OE1 GLU A 88 -12.186 11.467 8.139 1.00 22.15 O ATOM 1316 OE2 GLU A 88 -10.445 12.196 9.238 1.00 54.10 O ATOM 0 H GLU A 88 -11.560 8.376 4.946 1.00 44.14 H new ATOM 0 HA GLU A 88 -9.011 9.522 5.167 1.00 0.43 H new ATOM 0 HB2 GLU A 88 -11.440 10.082 5.946 1.00 4.35 H new ATOM 0 HB3 GLU A 88 -11.060 9.072 7.326 1.00 4.35 H new ATOM 0 HG2 GLU A 88 -9.075 10.602 7.774 1.00 11.24 H new ATOM 0 HG3 GLU A 88 -9.699 11.663 6.527 1.00 11.24 H new ATOM 1323 N ASP A 89 -9.338 6.950 7.226 1.00 34.13 N ATOM 1324 CA ASP A 89 -8.483 6.049 8.013 1.00 2.14 C ATOM 1325 C ASP A 89 -7.649 5.130 7.130 1.00 50.12 C ATOM 1326 O ASP A 89 -6.504 4.823 7.445 1.00 3.24 O ATOM 1327 CB ASP A 89 -9.274 5.156 8.956 1.00 10.32 C ATOM 1328 CG ASP A 89 -8.335 4.513 10.000 1.00 2.22 C ATOM 1329 OD1 ASP A 89 -7.509 5.212 10.637 1.00 21.35 O ATOM 1330 OD2 ASP A 89 -8.445 3.277 10.174 1.00 32.45 O ATOM 0 H ASP A 89 -10.341 6.804 7.342 1.00 34.13 H new ATOM 0 HA ASP A 89 -7.841 6.718 8.586 1.00 2.14 H new ATOM 0 HB2 ASP A 89 -10.044 5.740 9.460 1.00 10.32 H new ATOM 0 HB3 ASP A 89 -9.785 4.378 8.388 1.00 10.32 H new ATOM 1335 N SER A 90 -8.218 4.711 5.995 1.00 33.24 N ATOM 1336 CA SER A 90 -7.503 3.877 5.021 1.00 1.23 C ATOM 1337 C SER A 90 -6.247 4.581 4.451 1.00 73.33 C ATOM 1338 O SER A 90 -5.467 3.944 3.746 1.00 12.14 O ATOM 1339 CB SER A 90 -8.424 3.364 3.908 1.00 20.13 C ATOM 1340 OG SER A 90 -8.860 4.344 2.991 1.00 0.14 O ATOM 0 H SER A 90 -9.176 4.937 5.727 1.00 33.24 H new ATOM 0 HA SER A 90 -7.151 3.002 5.568 1.00 1.23 H new ATOM 0 HB2 SER A 90 -7.902 2.581 3.358 1.00 20.13 H new ATOM 0 HB3 SER A 90 -9.299 2.903 4.366 1.00 20.13 H new ATOM 0 HG SER A 90 -8.906 5.214 3.439 1.00 0.14 H new ATOM 1346 N TRP A 91 -6.046 5.876 4.719 1.00 21.42 N ATOM 1347 CA TRP A 91 -4.848 6.637 4.388 1.00 24.01 C ATOM 1348 C TRP A 91 -4.005 6.921 5.641 1.00 24.05 C ATOM 1349 O TRP A 91 -2.768 6.903 5.591 1.00 33.11 O ATOM 1350 CB TRP A 91 -5.303 7.926 3.678 1.00 1.24 C ATOM 1351 CG TRP A 91 -4.205 8.878 3.343 1.00 60.12 C ATOM 1352 CD1 TRP A 91 -3.568 8.987 2.156 1.00 51.32 C ATOM 1353 CD2 TRP A 91 -3.563 9.828 4.238 1.00 44.53 C ATOM 1354 NE1 TRP A 91 -2.544 9.903 2.272 1.00 72.03 N ATOM 1355 CE2 TRP A 91 -2.455 10.403 3.554 1.00 20.03 C ATOM 1356 CE3 TRP A 91 -3.781 10.223 5.574 1.00 14.31 C ATOM 1357 CZ2 TRP A 91 -1.555 11.263 4.197 1.00 3.53 C ATOM 1358 CZ3 TRP A 91 -2.902 11.113 6.213 1.00 21.03 C ATOM 1359 CH2 TRP A 91 -1.779 11.611 5.536 1.00 60.21 C ATOM 0 H TRP A 91 -6.749 6.443 5.194 1.00 21.42 H new ATOM 0 HA TRP A 91 -4.198 6.067 3.724 1.00 24.01 H new ATOM 0 HB2 TRP A 91 -5.821 7.654 2.759 1.00 1.24 H new ATOM 0 HB3 TRP A 91 -6.027 8.437 4.313 1.00 1.24 H new ATOM 0 HD1 TRP A 91 -3.821 8.443 1.258 1.00 51.32 H new ATOM 0 HE1 TRP A 91 -1.929 10.177 1.505 1.00 72.03 H new ATOM 0 HE3 TRP A 91 -4.634 9.837 6.112 1.00 14.31 H new ATOM 0 HZ2 TRP A 91 -0.699 11.653 3.667 1.00 3.53 H new ATOM 0 HZ3 TRP A 91 -3.092 11.416 7.232 1.00 21.03 H new ATOM 0 HH2 TRP A 91 -1.086 12.263 6.047 1.00 60.21 H new ATOM 1370 N LYS A 92 -4.663 7.174 6.775 1.00 25.24 N ATOM 1371 CA LYS A 92 -4.053 7.535 8.053 1.00 5.15 C ATOM 1372 C LYS A 92 -3.027 6.503 8.493 1.00 30.25 C ATOM 1373 O LYS A 92 -1.867 6.878 8.654 1.00 4.51 O ATOM 1374 CB LYS A 92 -5.152 7.701 9.102 1.00 73.02 C ATOM 1375 CG LYS A 92 -5.993 8.970 8.871 1.00 45.52 C ATOM 1376 CD LYS A 92 -5.289 10.258 9.294 1.00 52.52 C ATOM 1377 CE LYS A 92 -4.936 10.274 10.778 1.00 5.45 C ATOM 1378 NZ LYS A 92 -6.140 10.201 11.623 1.00 32.22 N ATOM 0 H LYS A 92 -5.681 7.130 6.828 1.00 25.24 H new ATOM 0 HA LYS A 92 -3.520 8.479 7.936 1.00 5.15 H new ATOM 0 HB2 LYS A 92 -5.804 6.827 9.084 1.00 73.02 H new ATOM 0 HB3 LYS A 92 -4.702 7.742 10.094 1.00 73.02 H new ATOM 0 HG2 LYS A 92 -6.250 9.037 7.814 1.00 45.52 H new ATOM 0 HG3 LYS A 92 -6.929 8.880 9.422 1.00 45.52 H new ATOM 0 HD2 LYS A 92 -4.379 10.380 8.707 1.00 52.52 H new ATOM 0 HD3 LYS A 92 -5.931 11.110 9.068 1.00 52.52 H new ATOM 0 HE2 LYS A 92 -4.280 9.434 11.005 1.00 5.45 H new ATOM 0 HE3 LYS A 92 -4.382 11.183 11.011 1.00 5.45 H new ATOM 0 HZ1 LYS A 92 -5.878 10.367 12.616 1.00 32.22 H new ATOM 0 HZ2 LYS A 92 -6.822 10.925 11.319 1.00 32.22 H new ATOM 0 HZ3 LYS A 92 -6.572 9.259 11.532 1.00 32.22 H new ATOM 1392 N THR A 93 -3.423 5.246 8.694 1.00 1.42 N ATOM 1393 CA THR A 93 -2.549 4.207 9.233 1.00 72.12 C ATOM 1394 C THR A 93 -1.374 4.001 8.284 1.00 61.10 C ATOM 1395 O THR A 93 -0.224 4.036 8.713 1.00 14.24 O ATOM 1396 CB THR A 93 -3.331 2.898 9.483 1.00 21.31 C ATOM 1397 OG1 THR A 93 -4.719 3.132 9.339 1.00 44.53 O ATOM 1398 CG2 THR A 93 -3.058 2.289 10.859 1.00 5.32 C ATOM 0 H THR A 93 -4.366 4.919 8.485 1.00 1.42 H new ATOM 0 HA THR A 93 -2.160 4.523 10.201 1.00 72.12 H new ATOM 0 HB THR A 93 -2.985 2.180 8.740 1.00 21.31 H new ATOM 0 HG1 THR A 93 -4.964 3.075 8.392 1.00 44.53 H new ATOM 0 HG21 THR A 93 -3.637 1.372 10.973 1.00 5.32 H new ATOM 0 HG22 THR A 93 -1.996 2.062 10.952 1.00 5.32 H new ATOM 0 HG23 THR A 93 -3.346 2.999 11.635 1.00 5.32 H new ATOM 1406 N LEU A 94 -1.647 3.863 6.983 1.00 41.30 N ATOM 1407 CA LEU A 94 -0.646 3.673 5.937 1.00 52.44 C ATOM 1408 C LEU A 94 0.467 4.712 6.067 1.00 54.52 C ATOM 1409 O LEU A 94 1.640 4.356 6.176 1.00 55.24 O ATOM 1410 CB LEU A 94 -1.380 3.702 4.579 1.00 42.51 C ATOM 1411 CG LEU A 94 -0.534 3.492 3.305 1.00 40.10 C ATOM 1412 CD1 LEU A 94 -1.462 3.068 2.157 1.00 22.21 C ATOM 1413 CD2 LEU A 94 0.207 4.755 2.842 1.00 23.35 C ATOM 0 H LEU A 94 -2.600 3.881 6.621 1.00 41.30 H new ATOM 0 HA LEU A 94 -0.143 2.710 6.028 1.00 52.44 H new ATOM 0 HB2 LEU A 94 -2.154 2.935 4.599 1.00 42.51 H new ATOM 0 HB3 LEU A 94 -1.887 4.663 4.491 1.00 42.51 H new ATOM 0 HG LEU A 94 0.209 2.735 3.553 1.00 40.10 H new ATOM 0 HD11 LEU A 94 -0.875 2.917 1.251 1.00 22.21 H new ATOM 0 HD12 LEU A 94 -1.967 2.139 2.421 1.00 22.21 H new ATOM 0 HD13 LEU A 94 -2.204 3.847 1.982 1.00 22.21 H new ATOM 0 HD21 LEU A 94 0.780 4.531 1.942 1.00 23.35 H new ATOM 0 HD22 LEU A 94 -0.515 5.542 2.626 1.00 23.35 H new ATOM 0 HD23 LEU A 94 0.883 5.089 3.629 1.00 23.35 H new ATOM 1425 N THR A 95 0.125 5.999 6.093 1.00 75.40 N ATOM 1426 CA THR A 95 1.135 7.045 6.189 1.00 41.32 C ATOM 1427 C THR A 95 1.769 7.114 7.589 1.00 33.15 C ATOM 1428 O THR A 95 2.975 7.352 7.701 1.00 52.30 O ATOM 1429 CB THR A 95 0.538 8.378 5.722 1.00 0.42 C ATOM 1430 OG1 THR A 95 -0.648 8.688 6.425 1.00 24.24 O ATOM 1431 CG2 THR A 95 0.251 8.343 4.216 1.00 33.01 C ATOM 0 H THR A 95 -0.836 6.338 6.049 1.00 75.40 H new ATOM 0 HA THR A 95 1.963 6.803 5.523 1.00 41.32 H new ATOM 0 HB THR A 95 1.274 9.155 5.930 1.00 0.42 H new ATOM 0 HG1 THR A 95 -0.999 9.548 6.112 1.00 24.24 H new ATOM 0 HG21 THR A 95 -0.172 9.298 3.904 1.00 33.01 H new ATOM 0 HG22 THR A 95 1.179 8.162 3.673 1.00 33.01 H new ATOM 0 HG23 THR A 95 -0.458 7.544 3.999 1.00 33.01 H new ATOM 1439 N SER A 96 0.999 6.845 8.649 1.00 33.41 N ATOM 1440 CA SER A 96 1.447 6.776 10.039 1.00 12.25 C ATOM 1441 C SER A 96 2.482 5.660 10.250 1.00 33.25 C ATOM 1442 O SER A 96 3.293 5.738 11.177 1.00 21.35 O ATOM 1443 CB SER A 96 0.208 6.584 10.934 1.00 4.55 C ATOM 1444 OG SER A 96 0.529 6.422 12.301 1.00 22.43 O ATOM 0 H SER A 96 0.000 6.661 8.554 1.00 33.41 H new ATOM 0 HA SER A 96 1.952 7.704 10.307 1.00 12.25 H new ATOM 0 HB2 SER A 96 -0.451 7.445 10.822 1.00 4.55 H new ATOM 0 HB3 SER A 96 -0.348 5.711 10.592 1.00 4.55 H new ATOM 0 HG SER A 96 -0.295 6.306 12.819 1.00 22.43 H new ATOM 1450 N LYS A 97 2.520 4.648 9.381 1.00 62.30 N ATOM 1451 CA LYS A 97 3.358 3.463 9.553 1.00 74.14 C ATOM 1452 C LYS A 97 4.618 3.489 8.690 1.00 14.55 C ATOM 1453 O LYS A 97 5.496 2.646 8.895 1.00 4.13 O ATOM 1454 CB LYS A 97 2.483 2.226 9.263 1.00 21.24 C ATOM 1455 CG LYS A 97 1.406 1.996 10.340 1.00 34.12 C ATOM 1456 CD LYS A 97 1.953 1.420 11.645 1.00 5.11 C ATOM 1457 CE LYS A 97 0.847 1.485 12.705 1.00 50.11 C ATOM 1458 NZ LYS A 97 1.241 0.780 13.937 1.00 70.00 N ATOM 0 H LYS A 97 1.962 4.630 8.527 1.00 62.30 H new ATOM 0 HA LYS A 97 3.729 3.432 10.577 1.00 74.14 H new ATOM 0 HB2 LYS A 97 2.001 2.346 8.293 1.00 21.24 H new ATOM 0 HB3 LYS A 97 3.119 1.343 9.196 1.00 21.24 H new ATOM 0 HG2 LYS A 97 0.909 2.943 10.552 1.00 34.12 H new ATOM 0 HG3 LYS A 97 0.648 1.320 9.944 1.00 34.12 H new ATOM 0 HD2 LYS A 97 2.277 0.390 11.498 1.00 5.11 H new ATOM 0 HD3 LYS A 97 2.826 1.985 11.972 1.00 5.11 H new ATOM 0 HE2 LYS A 97 0.623 2.526 12.936 1.00 50.11 H new ATOM 0 HE3 LYS A 97 -0.067 1.043 12.307 1.00 50.11 H new ATOM 0 HZ1 LYS A 97 0.401 0.620 14.529 1.00 70.00 H new ATOM 0 HZ2 LYS A 97 1.671 -0.134 13.691 1.00 70.00 H new ATOM 0 HZ3 LYS A 97 1.929 1.356 14.462 1.00 70.00 H new ATOM 1472 N LEU A 98 4.758 4.442 7.763 1.00 43.51 N ATOM 1473 CA LEU A 98 5.854 4.475 6.790 1.00 33.01 C ATOM 1474 C LEU A 98 6.941 5.479 7.145 1.00 45.52 C ATOM 1475 O LEU A 98 8.115 5.196 6.897 1.00 74.04 O ATOM 1476 CB LEU A 98 5.325 4.816 5.390 1.00 63.04 C ATOM 1477 CG LEU A 98 4.568 3.684 4.682 1.00 24.11 C ATOM 1478 CD1 LEU A 98 3.954 4.251 3.399 1.00 51.52 C ATOM 1479 CD2 LEU A 98 5.469 2.484 4.348 1.00 43.51 C ATOM 0 H LEU A 98 4.106 5.221 7.666 1.00 43.51 H new ATOM 0 HA LEU A 98 6.293 3.477 6.807 1.00 33.01 H new ATOM 0 HB2 LEU A 98 4.664 5.679 5.469 1.00 63.04 H new ATOM 0 HB3 LEU A 98 6.166 5.115 4.765 1.00 63.04 H new ATOM 0 HG LEU A 98 3.797 3.312 5.357 1.00 24.11 H new ATOM 0 HD11 LEU A 98 3.410 3.464 2.877 1.00 51.52 H new ATOM 0 HD12 LEU A 98 3.269 5.060 3.650 1.00 51.52 H new ATOM 0 HD13 LEU A 98 4.746 4.633 2.755 1.00 51.52 H new ATOM 0 HD21 LEU A 98 4.880 1.715 3.849 1.00 43.51 H new ATOM 0 HD22 LEU A 98 6.276 2.807 3.691 1.00 43.51 H new ATOM 0 HD23 LEU A 98 5.891 2.078 5.268 1.00 43.51 H new ATOM 1491 N LYS A 99 6.595 6.653 7.691 1.00 73.02 N ATOM 1492 CA LYS A 99 7.610 7.646 8.054 1.00 1.52 C ATOM 1493 C LYS A 99 8.485 7.064 9.178 1.00 44.41 C ATOM 1494 O LYS A 99 9.655 7.415 9.264 1.00 24.35 O ATOM 1495 CB LYS A 99 6.955 9.004 8.416 1.00 65.43 C ATOM 1496 CG LYS A 99 7.766 10.272 8.086 1.00 53.43 C ATOM 1497 CD LYS A 99 9.156 10.256 8.722 1.00 12.21 C ATOM 1498 CE LYS A 99 9.748 11.651 8.921 1.00 25.04 C ATOM 1499 NZ LYS A 99 11.026 11.620 9.666 1.00 4.53 N ATOM 0 H LYS A 99 5.634 6.934 7.888 1.00 73.02 H new ATOM 0 HA LYS A 99 8.258 7.860 7.204 1.00 1.52 H new ATOM 0 HB2 LYS A 99 5.997 9.068 7.900 1.00 65.43 H new ATOM 0 HB3 LYS A 99 6.742 9.005 9.485 1.00 65.43 H new ATOM 0 HG2 LYS A 99 7.865 10.365 7.005 1.00 53.43 H new ATOM 0 HG3 LYS A 99 7.221 11.150 8.433 1.00 53.43 H new ATOM 0 HD2 LYS A 99 9.100 9.752 9.687 1.00 12.21 H new ATOM 0 HD3 LYS A 99 9.828 9.670 8.095 1.00 12.21 H new ATOM 0 HE2 LYS A 99 9.909 12.117 7.949 1.00 25.04 H new ATOM 0 HE3 LYS A 99 9.032 12.273 9.458 1.00 25.04 H new ATOM 0 HZ1 LYS A 99 11.388 12.589 9.775 1.00 4.53 H new ATOM 0 HZ2 LYS A 99 10.870 11.200 10.605 1.00 4.53 H new ATOM 0 HZ3 LYS A 99 11.719 11.049 9.142 1.00 4.53 H new ATOM 1513 N GLU A 100 7.980 6.088 9.944 1.00 62.11 N ATOM 1514 CA GLU A 100 8.717 5.325 10.948 1.00 31.23 C ATOM 1515 C GLU A 100 10.086 4.901 10.403 1.00 63.14 C ATOM 1516 O GLU A 100 11.109 5.442 10.829 1.00 44.34 O ATOM 1517 CB GLU A 100 7.920 4.103 11.406 1.00 70.44 C ATOM 1518 CG GLU A 100 6.618 4.395 12.167 1.00 24.04 C ATOM 1519 CD GLU A 100 6.258 3.249 13.128 1.00 52.24 C ATOM 1520 OE1 GLU A 100 7.029 3.020 14.096 1.00 33.01 O ATOM 1521 OE2 GLU A 100 5.240 2.565 12.888 1.00 25.12 O ATOM 0 H GLU A 100 7.004 5.800 9.874 1.00 62.11 H new ATOM 0 HA GLU A 100 8.872 5.969 11.814 1.00 31.23 H new ATOM 0 HB2 GLU A 100 7.678 3.502 10.529 1.00 70.44 H new ATOM 0 HB3 GLU A 100 8.561 3.494 12.043 1.00 70.44 H new ATOM 0 HG2 GLU A 100 6.724 5.323 12.729 1.00 24.04 H new ATOM 0 HG3 GLU A 100 5.805 4.544 11.456 1.00 24.04 H new ATOM 1528 N LYS A 101 10.102 3.991 9.418 1.00 14.23 N ATOM 1529 CA LYS A 101 11.319 3.486 8.788 1.00 4.22 C ATOM 1530 C LYS A 101 11.915 4.451 7.762 1.00 12.25 C ATOM 1531 O LYS A 101 12.853 4.080 7.056 1.00 2.11 O ATOM 1532 CB LYS A 101 11.052 2.092 8.184 1.00 54.13 C ATOM 1533 CG LYS A 101 11.253 0.982 9.222 1.00 31.31 C ATOM 1534 CD LYS A 101 12.745 0.739 9.505 1.00 63.20 C ATOM 1535 CE LYS A 101 12.880 -0.234 10.678 1.00 32.13 C ATOM 1536 NZ LYS A 101 14.266 -0.656 10.951 1.00 2.52 N ATOM 0 H LYS A 101 9.251 3.581 9.034 1.00 14.23 H new ATOM 0 HA LYS A 101 12.078 3.396 9.565 1.00 4.22 H new ATOM 0 HB2 LYS A 101 10.033 2.051 7.798 1.00 54.13 H new ATOM 0 HB3 LYS A 101 11.720 1.927 7.339 1.00 54.13 H new ATOM 0 HG2 LYS A 101 10.745 1.252 10.148 1.00 31.31 H new ATOM 0 HG3 LYS A 101 10.795 0.060 8.864 1.00 31.31 H new ATOM 0 HD2 LYS A 101 13.234 0.331 8.620 1.00 63.20 H new ATOM 0 HD3 LYS A 101 13.242 1.681 9.738 1.00 63.20 H new ATOM 0 HE2 LYS A 101 12.470 0.234 11.573 1.00 32.13 H new ATOM 0 HE3 LYS A 101 12.275 -1.118 10.475 1.00 32.13 H new ATOM 0 HZ1 LYS A 101 14.276 -1.313 11.757 1.00 2.52 H new ATOM 0 HZ2 LYS A 101 14.656 -1.131 10.112 1.00 2.52 H new ATOM 0 HZ3 LYS A 101 14.845 0.178 11.177 1.00 2.52 H new ATOM 1550 N GLY A 102 11.407 5.676 7.661 1.00 53.32 N ATOM 1551 CA GLY A 102 11.897 6.644 6.699 1.00 14.52 C ATOM 1552 C GLY A 102 11.575 6.184 5.280 1.00 21.11 C ATOM 1553 O GLY A 102 12.476 6.151 4.443 1.00 53.43 O ATOM 0 H GLY A 102 10.645 6.020 8.245 1.00 53.32 H new ATOM 0 HA2 GLY A 102 11.442 7.617 6.886 1.00 14.52 H new ATOM 0 HA3 GLY A 102 12.974 6.769 6.813 1.00 14.52 H new ATOM 1557 N LEU A 103 10.325 5.768 5.028 1.00 1.32 N ATOM 1558 CA LEU A 103 9.866 5.200 3.758 1.00 42.51 C ATOM 1559 C LEU A 103 8.890 6.135 3.025 1.00 13.25 C ATOM 1560 O LEU A 103 8.166 5.678 2.138 1.00 54.13 O ATOM 1561 CB LEU A 103 9.257 3.797 3.972 1.00 74.21 C ATOM 1562 CG LEU A 103 10.180 2.727 4.582 1.00 2.14 C ATOM 1563 CD1 LEU A 103 9.413 1.404 4.728 1.00 22.44 C ATOM 1564 CD2 LEU A 103 11.440 2.481 3.744 1.00 60.04 C ATOM 0 H LEU A 103 9.584 5.821 5.727 1.00 1.32 H new ATOM 0 HA LEU A 103 10.739 5.094 3.113 1.00 42.51 H new ATOM 0 HB2 LEU A 103 8.384 3.900 4.616 1.00 74.21 H new ATOM 0 HB3 LEU A 103 8.901 3.430 3.009 1.00 74.21 H new ATOM 0 HG LEU A 103 10.498 3.102 5.555 1.00 2.14 H new ATOM 0 HD11 LEU A 103 10.069 0.649 5.160 1.00 22.44 H new ATOM 0 HD12 LEU A 103 8.552 1.553 5.380 1.00 22.44 H new ATOM 0 HD13 LEU A 103 9.072 1.071 3.748 1.00 22.44 H new ATOM 0 HD21 LEU A 103 12.052 1.717 4.223 1.00 60.04 H new ATOM 0 HD22 LEU A 103 11.154 2.145 2.747 1.00 60.04 H new ATOM 0 HD23 LEU A 103 12.011 3.406 3.665 1.00 60.04 H new ATOM 1576 N VAL A 104 8.836 7.422 3.379 1.00 14.21 N ATOM 1577 CA VAL A 104 8.112 8.477 2.651 1.00 23.34 C ATOM 1578 C VAL A 104 8.921 9.793 2.703 1.00 63.23 C ATOM 1579 O VAL A 104 10.024 9.814 3.253 1.00 34.35 O ATOM 1580 CB VAL A 104 6.667 8.628 3.193 1.00 32.31 C ATOM 1581 CG1 VAL A 104 5.705 7.569 2.642 1.00 60.11 C ATOM 1582 CG2 VAL A 104 6.574 8.601 4.724 1.00 4.15 C ATOM 0 H VAL A 104 9.311 7.774 4.210 1.00 14.21 H new ATOM 0 HA VAL A 104 8.012 8.199 1.602 1.00 23.34 H new ATOM 0 HB VAL A 104 6.368 9.615 2.839 1.00 32.31 H new ATOM 0 HG11 VAL A 104 4.711 7.729 3.059 1.00 60.11 H new ATOM 0 HG12 VAL A 104 5.660 7.648 1.556 1.00 60.11 H new ATOM 0 HG13 VAL A 104 6.059 6.576 2.919 1.00 60.11 H new ATOM 0 HG21 VAL A 104 5.533 8.712 5.027 1.00 4.15 H new ATOM 0 HG22 VAL A 104 6.961 7.652 5.095 1.00 4.15 H new ATOM 0 HG23 VAL A 104 7.162 9.420 5.139 1.00 4.15 H new ATOM 1592 N THR A 105 8.418 10.903 2.159 1.00 64.31 N ATOM 1593 CA THR A 105 9.016 12.232 2.257 1.00 72.21 C ATOM 1594 C THR A 105 7.967 13.303 2.602 1.00 72.20 C ATOM 1595 O THR A 105 6.762 13.120 2.395 1.00 14.24 O ATOM 1596 CB THR A 105 9.837 12.551 0.989 1.00 51.24 C ATOM 1597 OG1 THR A 105 9.391 11.876 -0.170 1.00 53.54 O ATOM 1598 CG2 THR A 105 11.273 12.087 1.180 1.00 60.32 C ATOM 0 H THR A 105 7.552 10.899 1.619 1.00 64.31 H new ATOM 0 HA THR A 105 9.718 12.241 3.091 1.00 72.21 H new ATOM 0 HB THR A 105 9.732 13.627 0.851 1.00 51.24 H new ATOM 0 HG1 THR A 105 9.954 12.127 -0.932 1.00 53.54 H new ATOM 0 HG21 THR A 105 11.851 12.313 0.284 1.00 60.32 H new ATOM 0 HG22 THR A 105 11.712 12.603 2.034 1.00 60.32 H new ATOM 0 HG23 THR A 105 11.287 11.012 1.359 1.00 60.32 H new ATOM 1606 N ASP A 106 8.435 14.406 3.188 1.00 72.04 N ATOM 1607 CA ASP A 106 7.595 15.483 3.706 1.00 40.33 C ATOM 1608 C ASP A 106 7.169 16.344 2.524 1.00 71.45 C ATOM 1609 O ASP A 106 8.007 16.812 1.755 1.00 3.12 O ATOM 1610 CB ASP A 106 8.334 16.253 4.827 1.00 75.42 C ATOM 1611 CG ASP A 106 8.672 17.717 4.552 1.00 44.53 C ATOM 1612 OD1 ASP A 106 9.697 17.991 3.891 1.00 33.03 O ATOM 1613 OD2 ASP A 106 8.007 18.606 5.134 1.00 32.31 O ATOM 0 H ASP A 106 9.432 14.578 3.318 1.00 72.04 H new ATOM 0 HA ASP A 106 6.691 15.102 4.181 1.00 40.33 H new ATOM 0 HB2 ASP A 106 7.723 16.209 5.728 1.00 75.42 H new ATOM 0 HB3 ASP A 106 9.263 15.726 5.046 1.00 75.42 H new ATOM 1618 N GLY A 107 5.861 16.480 2.303 1.00 44.32 N ATOM 1619 CA GLY A 107 5.297 17.175 1.161 1.00 43.21 C ATOM 1620 C GLY A 107 4.903 16.258 -0.003 1.00 34.32 C ATOM 1621 O GLY A 107 4.366 16.783 -0.978 1.00 73.00 O ATOM 0 H GLY A 107 5.154 16.099 2.931 1.00 44.32 H new ATOM 0 HA2 GLY A 107 4.416 17.729 1.486 1.00 43.21 H new ATOM 0 HA3 GLY A 107 6.020 17.908 0.803 1.00 43.21 H new ATOM 1625 N GLN A 108 5.123 14.932 0.047 1.00 22.13 N ATOM 1626 CA GLN A 108 4.499 14.031 -0.944 1.00 34.11 C ATOM 1627 C GLN A 108 2.966 14.119 -0.875 1.00 0.51 C ATOM 1628 O GLN A 108 2.435 14.540 0.154 1.00 63.02 O ATOM 1629 CB GLN A 108 4.890 12.570 -0.681 1.00 3.34 C ATOM 1630 CG GLN A 108 6.380 12.305 -0.871 1.00 15.22 C ATOM 1631 CD GLN A 108 6.679 10.809 -0.787 1.00 40.14 C ATOM 1632 OE1 GLN A 108 6.494 10.175 0.246 1.00 24.24 O ATOM 1633 NE2 GLN A 108 7.142 10.192 -1.860 1.00 3.15 N ATOM 0 H GLN A 108 5.710 14.469 0.741 1.00 22.13 H new ATOM 0 HA GLN A 108 4.853 14.346 -1.925 1.00 34.11 H new ATOM 0 HB2 GLN A 108 4.606 12.302 0.337 1.00 3.34 H new ATOM 0 HB3 GLN A 108 4.324 11.923 -1.351 1.00 3.34 H new ATOM 0 HG2 GLN A 108 6.702 12.691 -1.838 1.00 15.22 H new ATOM 0 HG3 GLN A 108 6.949 12.838 -0.109 1.00 15.22 H new ATOM 0 HE21 GLN A 108 7.298 10.715 -2.722 1.00 3.15 H new ATOM 0 HE22 GLN A 108 7.344 9.193 -1.826 1.00 3.15 H new ATOM 1642 N THR A 109 2.254 13.605 -1.877 1.00 35.32 N ATOM 1643 CA THR A 109 0.802 13.437 -1.825 1.00 13.21 C ATOM 1644 C THR A 109 0.488 11.980 -2.191 1.00 34.34 C ATOM 1645 O THR A 109 0.648 11.566 -3.338 1.00 3.43 O ATOM 1646 CB THR A 109 0.081 14.485 -2.706 1.00 2.25 C ATOM 1647 OG1 THR A 109 0.809 15.703 -2.791 1.00 33.32 O ATOM 1648 CG2 THR A 109 -1.298 14.810 -2.131 1.00 61.31 C ATOM 0 H THR A 109 2.671 13.291 -2.753 1.00 35.32 H new ATOM 0 HA THR A 109 0.419 13.624 -0.822 1.00 13.21 H new ATOM 0 HB THR A 109 -0.004 14.045 -3.700 1.00 2.25 H new ATOM 0 HG1 THR A 109 1.273 15.747 -3.653 1.00 33.32 H new ATOM 0 HG21 THR A 109 -1.791 15.549 -2.763 1.00 61.31 H new ATOM 0 HG22 THR A 109 -1.901 13.902 -2.096 1.00 61.31 H new ATOM 0 HG23 THR A 109 -1.187 15.211 -1.124 1.00 61.31 H new ATOM 1656 N VAL A 110 0.140 11.150 -1.207 1.00 42.54 N ATOM 1657 CA VAL A 110 -0.194 9.742 -1.426 1.00 55.11 C ATOM 1658 C VAL A 110 -1.666 9.695 -1.849 1.00 35.01 C ATOM 1659 O VAL A 110 -2.491 10.125 -1.046 1.00 74.43 O ATOM 1660 CB VAL A 110 0.078 8.941 -0.132 1.00 63.42 C ATOM 1661 CG1 VAL A 110 -0.208 7.443 -0.317 1.00 33.02 C ATOM 1662 CG2 VAL A 110 1.524 9.121 0.365 1.00 22.44 C ATOM 0 H VAL A 110 0.082 11.437 -0.230 1.00 42.54 H new ATOM 0 HA VAL A 110 0.417 9.288 -2.206 1.00 55.11 H new ATOM 0 HB VAL A 110 -0.604 9.343 0.618 1.00 63.42 H new ATOM 0 HG11 VAL A 110 -0.004 6.916 0.615 1.00 33.02 H new ATOM 0 HG12 VAL A 110 -1.253 7.303 -0.592 1.00 33.02 H new ATOM 0 HG13 VAL A 110 0.431 7.045 -1.106 1.00 33.02 H new ATOM 0 HG21 VAL A 110 1.671 8.541 1.276 1.00 22.44 H new ATOM 0 HG22 VAL A 110 2.218 8.775 -0.401 1.00 22.44 H new ATOM 0 HG23 VAL A 110 1.709 10.175 0.573 1.00 22.44 H new ATOM 1672 N THR A 111 -1.995 9.193 -3.047 1.00 42.10 N ATOM 1673 CA THR A 111 -3.353 9.131 -3.598 1.00 22.11 C ATOM 1674 C THR A 111 -3.814 7.673 -3.696 1.00 52.53 C ATOM 1675 O THR A 111 -3.345 6.920 -4.544 1.00 40.43 O ATOM 1676 CB THR A 111 -3.445 9.825 -4.979 1.00 2.11 C ATOM 1677 OG1 THR A 111 -2.693 11.027 -5.019 1.00 61.12 O ATOM 1678 CG2 THR A 111 -4.891 10.126 -5.378 1.00 54.10 C ATOM 0 H THR A 111 -1.296 8.805 -3.681 1.00 42.10 H new ATOM 0 HA THR A 111 -4.014 9.670 -2.920 1.00 22.11 H new ATOM 0 HB THR A 111 -3.023 9.118 -5.694 1.00 2.11 H new ATOM 0 HG1 THR A 111 -2.775 11.434 -5.907 1.00 61.12 H new ATOM 0 HG21 THR A 111 -4.906 10.613 -6.353 1.00 54.10 H new ATOM 0 HG22 THR A 111 -5.456 9.195 -5.428 1.00 54.10 H new ATOM 0 HG23 THR A 111 -5.343 10.785 -4.637 1.00 54.10 H new ATOM 1686 N ILE A 112 -4.730 7.259 -2.829 1.00 20.42 N ATOM 1687 CA ILE A 112 -5.333 5.923 -2.830 1.00 0.51 C ATOM 1688 C ILE A 112 -6.488 5.972 -3.818 1.00 44.41 C ATOM 1689 O ILE A 112 -7.225 6.953 -3.804 1.00 53.53 O ATOM 1690 CB ILE A 112 -5.851 5.568 -1.419 1.00 0.54 C ATOM 1691 CG1 ILE A 112 -4.828 6.048 -0.372 1.00 52.33 C ATOM 1692 CG2 ILE A 112 -6.194 4.075 -1.280 1.00 61.11 C ATOM 1693 CD1 ILE A 112 -5.019 5.520 1.037 1.00 15.34 C ATOM 0 H ILE A 112 -5.087 7.857 -2.083 1.00 20.42 H new ATOM 0 HA ILE A 112 -4.605 5.163 -3.112 1.00 0.51 H new ATOM 0 HB ILE A 112 -6.793 6.089 -1.245 1.00 0.54 H new ATOM 0 HG12 ILE A 112 -3.831 5.767 -0.712 1.00 52.33 H new ATOM 0 HG13 ILE A 112 -4.857 7.137 -0.337 1.00 52.33 H new ATOM 0 HG21 ILE A 112 -6.553 3.877 -0.270 1.00 61.11 H new ATOM 0 HG22 ILE A 112 -6.969 3.811 -1.999 1.00 61.11 H new ATOM 0 HG23 ILE A 112 -5.303 3.478 -1.472 1.00 61.11 H new ATOM 0 HD11 ILE A 112 -4.242 5.925 1.686 1.00 15.34 H new ATOM 0 HD12 ILE A 112 -5.997 5.823 1.410 1.00 15.34 H new ATOM 0 HD13 ILE A 112 -4.955 4.432 1.030 1.00 15.34 H new ATOM 1705 N HIS A 113 -6.688 4.932 -4.623 1.00 32.44 N ATOM 1706 CA HIS A 113 -7.753 4.852 -5.611 1.00 24.42 C ATOM 1707 C HIS A 113 -8.637 3.648 -5.334 1.00 11.31 C ATOM 1708 O HIS A 113 -8.199 2.492 -5.308 1.00 40.52 O ATOM 1709 CB HIS A 113 -7.189 4.776 -7.030 1.00 75.22 C ATOM 1710 CG HIS A 113 -7.490 6.006 -7.830 1.00 63.31 C ATOM 1711 ND1 HIS A 113 -6.605 7.016 -8.114 1.00 52.43 N ATOM 1712 CD2 HIS A 113 -8.703 6.342 -8.364 1.00 53.24 C ATOM 1713 CE1 HIS A 113 -7.263 7.957 -8.799 1.00 24.25 C ATOM 1714 NE2 HIS A 113 -8.549 7.585 -8.986 1.00 40.43 N ATOM 0 H HIS A 113 -6.097 4.101 -4.603 1.00 32.44 H new ATOM 0 HA HIS A 113 -8.351 5.760 -5.534 1.00 24.42 H new ATOM 0 HB2 HIS A 113 -6.110 4.632 -6.982 1.00 75.22 H new ATOM 0 HB3 HIS A 113 -7.604 3.905 -7.537 1.00 75.22 H new ATOM 0 HD2 HIS A 113 -9.610 5.757 -8.315 1.00 53.24 H new ATOM 0 HE1 HIS A 113 -6.830 8.881 -9.152 1.00 24.25 H new ATOM 0 HE2 HIS A 113 -9.268 8.109 -9.484 1.00 40.43 H new ATOM 1722 N CYS A 114 -9.921 3.938 -5.187 1.00 14.24 N ATOM 1723 CA CYS A 114 -10.966 2.939 -5.226 1.00 73.23 C ATOM 1724 C CYS A 114 -11.338 2.712 -6.696 1.00 55.31 C ATOM 1725 O CYS A 114 -11.315 3.643 -7.509 1.00 43.14 O ATOM 1726 CB CYS A 114 -12.126 3.373 -4.316 1.00 31.22 C ATOM 1727 SG CYS A 114 -13.224 1.961 -4.041 1.00 72.20 S ATOM 0 H CYS A 114 -10.265 4.886 -5.036 1.00 14.24 H new ATOM 0 HA CYS A 114 -10.645 1.976 -4.829 1.00 73.23 H new ATOM 0 HB2 CYS A 114 -11.741 3.740 -3.365 1.00 31.22 H new ATOM 0 HB3 CYS A 114 -12.677 4.194 -4.775 1.00 31.22 H new ATOM 0 HG CYS A 114 -12.759 0.921 -4.668 1.00 72.20 H new ATOM 1733 N ASN A 115 -11.636 1.468 -7.067 1.00 4.22 N ATOM 1734 CA ASN A 115 -12.096 1.073 -8.393 1.00 40.54 C ATOM 1735 C ASN A 115 -13.343 0.224 -8.145 1.00 13.31 C ATOM 1736 O ASN A 115 -13.310 -1.004 -8.271 1.00 12.35 O ATOM 1737 CB ASN A 115 -11.048 0.276 -9.210 1.00 53.13 C ATOM 1738 CG ASN A 115 -9.636 0.812 -9.428 1.00 75.32 C ATOM 1739 OD1 ASN A 115 -8.797 0.064 -9.922 1.00 13.41 O ATOM 1740 ND2 ASN A 115 -9.299 2.045 -9.087 1.00 51.43 N ATOM 0 H ASN A 115 -11.560 0.679 -6.426 1.00 4.22 H new ATOM 0 HA ASN A 115 -12.291 1.959 -8.997 1.00 40.54 H new ATOM 0 HB2 ASN A 115 -10.947 -0.699 -8.732 1.00 53.13 H new ATOM 0 HB3 ASN A 115 -11.478 0.104 -10.197 1.00 53.13 H new ATOM 0 HD21 ASN A 115 -8.344 2.372 -9.235 1.00 51.43 H new ATOM 0 HD22 ASN A 115 -9.994 2.669 -8.676 1.00 51.43 H new ATOM 1747 N ASP A 116 -14.441 0.842 -7.707 1.00 62.41 N ATOM 1748 CA ASP A 116 -15.621 0.103 -7.293 1.00 3.52 C ATOM 1749 C ASP A 116 -16.275 -0.531 -8.508 1.00 41.30 C ATOM 1750 O ASP A 116 -16.341 0.090 -9.576 1.00 42.50 O ATOM 1751 CB ASP A 116 -16.641 1.026 -6.649 1.00 3.12 C ATOM 1752 CG ASP A 116 -16.279 1.682 -5.329 1.00 24.33 C ATOM 1753 OD1 ASP A 116 -16.303 0.968 -4.308 1.00 62.33 O ATOM 1754 OD2 ASP A 116 -16.070 2.918 -5.316 1.00 15.11 O ATOM 0 H ASP A 116 -14.532 1.855 -7.632 1.00 62.41 H new ATOM 0 HA ASP A 116 -15.307 -0.655 -6.576 1.00 3.52 H new ATOM 0 HB2 ASP A 116 -16.872 1.817 -7.362 1.00 3.12 H new ATOM 0 HB3 ASP A 116 -17.558 0.456 -6.498 1.00 3.12 H new ATOM 1759 N LYS A 117 -16.843 -1.725 -8.333 1.00 73.22 N ATOM 1760 CA LYS A 117 -17.576 -2.433 -9.382 1.00 52.51 C ATOM 1761 C LYS A 117 -18.989 -2.709 -8.859 1.00 60.41 C ATOM 1762 O LYS A 117 -19.408 -3.867 -8.817 1.00 75.03 O ATOM 1763 CB LYS A 117 -16.855 -3.734 -9.825 1.00 41.41 C ATOM 1764 CG LYS A 117 -15.327 -3.657 -9.961 1.00 32.12 C ATOM 1765 CD LYS A 117 -14.806 -2.772 -11.095 1.00 14.43 C ATOM 1766 CE LYS A 117 -13.276 -2.827 -11.132 1.00 44.42 C ATOM 1767 NZ LYS A 117 -12.779 -3.928 -11.985 1.00 2.52 N ATOM 0 H LYS A 117 -16.806 -2.233 -7.449 1.00 73.22 H new ATOM 0 HA LYS A 117 -17.626 -1.814 -10.278 1.00 52.51 H new ATOM 0 HB2 LYS A 117 -17.095 -4.519 -9.107 1.00 41.41 H new ATOM 0 HB3 LYS A 117 -17.268 -4.043 -10.785 1.00 41.41 H new ATOM 0 HG2 LYS A 117 -14.915 -3.291 -9.021 1.00 32.12 H new ATOM 0 HG3 LYS A 117 -14.942 -4.666 -10.106 1.00 32.12 H new ATOM 0 HD2 LYS A 117 -15.215 -3.108 -12.048 1.00 14.43 H new ATOM 0 HD3 LYS A 117 -15.139 -1.744 -10.950 1.00 14.43 H new ATOM 0 HE2 LYS A 117 -12.889 -1.878 -11.503 1.00 44.42 H new ATOM 0 HE3 LYS A 117 -12.894 -2.953 -10.119 1.00 44.42 H new ATOM 0 HZ1 LYS A 117 -11.739 -3.928 -11.981 1.00 2.52 H new ATOM 0 HZ2 LYS A 117 -13.127 -4.836 -11.617 1.00 2.52 H new ATOM 0 HZ3 LYS A 117 -13.121 -3.795 -12.958 1.00 2.52 H new ATOM 1781 N SER A 118 -19.703 -1.680 -8.396 1.00 74.32 N ATOM 1782 CA SER A 118 -21.090 -1.825 -7.965 1.00 61.21 C ATOM 1783 C SER A 118 -22.036 -0.939 -8.771 1.00 20.42 C ATOM 1784 O SER A 118 -23.074 -1.428 -9.208 1.00 40.31 O ATOM 1785 CB SER A 118 -21.222 -1.649 -6.450 1.00 71.24 C ATOM 1786 OG SER A 118 -20.684 -0.429 -5.974 1.00 60.10 O ATOM 0 H SER A 118 -19.337 -0.732 -8.311 1.00 74.32 H new ATOM 0 HA SER A 118 -21.404 -2.847 -8.179 1.00 61.21 H new ATOM 0 HB2 SER A 118 -22.276 -1.704 -6.176 1.00 71.24 H new ATOM 0 HB3 SER A 118 -20.720 -2.478 -5.951 1.00 71.24 H new ATOM 0 HG SER A 118 -20.801 -0.377 -5.002 1.00 60.10 H new ATOM 1792 N ASP A 119 -21.698 0.327 -9.021 1.00 73.31 N ATOM 1793 CA ASP A 119 -22.556 1.241 -9.779 1.00 73.40 C ATOM 1794 C ASP A 119 -21.741 2.236 -10.603 1.00 61.11 C ATOM 1795 O ASP A 119 -22.086 3.411 -10.713 1.00 44.14 O ATOM 1796 CB ASP A 119 -23.579 1.920 -8.860 1.00 32.34 C ATOM 1797 CG ASP A 119 -24.911 1.966 -9.594 1.00 23.42 C ATOM 1798 OD1 ASP A 119 -25.125 2.846 -10.459 1.00 4.41 O ATOM 1799 OD2 ASP A 119 -25.695 1.007 -9.421 1.00 54.52 O ATOM 0 H ASP A 119 -20.824 0.747 -8.705 1.00 73.31 H new ATOM 0 HA ASP A 119 -23.122 0.653 -10.501 1.00 73.40 H new ATOM 0 HB2 ASP A 119 -23.678 1.368 -7.925 1.00 32.34 H new ATOM 0 HB3 ASP A 119 -23.251 2.927 -8.602 1.00 32.34 H new ATOM 1804 N ASN A 120 -20.610 1.764 -11.134 1.00 22.21 N ATOM 1805 CA ASN A 120 -19.590 2.535 -11.840 1.00 44.50 C ATOM 1806 C ASN A 120 -19.219 3.809 -11.082 1.00 43.23 C ATOM 1807 O ASN A 120 -19.599 4.926 -11.435 1.00 4.42 O ATOM 1808 CB ASN A 120 -19.981 2.815 -13.285 1.00 0.45 C ATOM 1809 CG ASN A 120 -18.895 3.610 -13.989 1.00 13.35 C ATOM 1810 OD1 ASN A 120 -17.707 3.326 -13.846 1.00 60.23 O ATOM 1811 ND2 ASN A 120 -19.283 4.608 -14.751 1.00 32.34 N ATOM 0 H ASN A 120 -20.370 0.774 -11.078 1.00 22.21 H new ATOM 0 HA ASN A 120 -18.692 1.918 -11.879 1.00 44.50 H new ATOM 0 HB2 ASN A 120 -20.149 1.875 -13.810 1.00 0.45 H new ATOM 0 HB3 ASN A 120 -20.920 3.368 -13.313 1.00 0.45 H new ATOM 0 HD21 ASN A 120 -18.591 5.172 -15.244 1.00 32.34 H new ATOM 0 HD22 ASN A 120 -20.276 4.818 -14.849 1.00 32.34 H new ATOM 1818 N THR A 121 -18.452 3.614 -10.022 1.00 3.23 N ATOM 1819 CA THR A 121 -17.950 4.656 -9.154 1.00 64.30 C ATOM 1820 C THR A 121 -16.432 4.472 -9.104 1.00 23.35 C ATOM 1821 O THR A 121 -15.933 3.342 -9.045 1.00 73.44 O ATOM 1822 CB THR A 121 -18.688 4.622 -7.789 1.00 52.43 C ATOM 1823 OG1 THR A 121 -18.543 3.396 -7.105 1.00 51.14 O ATOM 1824 CG2 THR A 121 -20.207 4.758 -7.945 1.00 33.13 C ATOM 0 H THR A 121 -18.152 2.683 -9.734 1.00 3.23 H new ATOM 0 HA THR A 121 -18.148 5.664 -9.518 1.00 64.30 H new ATOM 0 HB THR A 121 -18.236 5.452 -7.245 1.00 52.43 H new ATOM 0 HG1 THR A 121 -19.027 3.437 -6.254 1.00 51.14 H new ATOM 0 HG21 THR A 121 -20.678 4.729 -6.962 1.00 33.13 H new ATOM 0 HG22 THR A 121 -20.439 5.706 -8.430 1.00 33.13 H new ATOM 0 HG23 THR A 121 -20.585 3.936 -8.553 1.00 33.13 H new ATOM 1832 N LYS A 122 -15.685 5.568 -9.183 1.00 24.11 N ATOM 1833 CA LYS A 122 -14.273 5.634 -8.841 1.00 61.20 C ATOM 1834 C LYS A 122 -14.114 6.893 -8.017 1.00 21.01 C ATOM 1835 O LYS A 122 -14.651 7.942 -8.379 1.00 35.45 O ATOM 1836 CB LYS A 122 -13.385 5.689 -10.091 1.00 23.32 C ATOM 1837 CG LYS A 122 -13.300 4.329 -10.798 1.00 32.04 C ATOM 1838 CD LYS A 122 -12.339 4.337 -11.990 1.00 24.01 C ATOM 1839 CE LYS A 122 -12.934 5.199 -13.114 1.00 35.12 C ATOM 1840 NZ LYS A 122 -12.097 5.248 -14.326 1.00 71.12 N ATOM 0 H LYS A 122 -16.060 6.463 -9.497 1.00 24.11 H new ATOM 0 HA LYS A 122 -13.962 4.744 -8.294 1.00 61.20 H new ATOM 0 HB2 LYS A 122 -13.779 6.433 -10.783 1.00 23.32 H new ATOM 0 HB3 LYS A 122 -12.383 6.014 -9.810 1.00 23.32 H new ATOM 0 HG2 LYS A 122 -12.977 3.573 -10.083 1.00 32.04 H new ATOM 0 HG3 LYS A 122 -14.294 4.040 -11.141 1.00 32.04 H new ATOM 0 HD2 LYS A 122 -11.369 4.732 -11.688 1.00 24.01 H new ATOM 0 HD3 LYS A 122 -12.173 3.320 -12.345 1.00 24.01 H new ATOM 0 HE2 LYS A 122 -13.917 4.810 -13.377 1.00 35.12 H new ATOM 0 HE3 LYS A 122 -13.082 6.213 -12.743 1.00 35.12 H new ATOM 0 HZ1 LYS A 122 -12.557 5.846 -15.042 1.00 71.12 H new ATOM 0 HZ2 LYS A 122 -11.166 5.647 -14.089 1.00 71.12 H new ATOM 0 HZ3 LYS A 122 -11.976 4.286 -14.703 1.00 71.12 H new ATOM 1854 N SER A 123 -13.369 6.785 -6.932 1.00 20.33 N ATOM 1855 CA SER A 123 -13.043 7.876 -6.038 1.00 43.33 C ATOM 1856 C SER A 123 -11.631 7.613 -5.524 1.00 34.32 C ATOM 1857 O SER A 123 -11.037 6.562 -5.806 1.00 62.22 O ATOM 1858 CB SER A 123 -14.083 7.936 -4.911 1.00 1.43 C ATOM 1859 OG SER A 123 -15.364 8.210 -5.450 1.00 72.23 O ATOM 0 H SER A 123 -12.959 5.898 -6.640 1.00 20.33 H new ATOM 0 HA SER A 123 -13.068 8.846 -6.534 1.00 43.33 H new ATOM 0 HB2 SER A 123 -14.101 6.990 -4.371 1.00 1.43 H new ATOM 0 HB3 SER A 123 -13.809 8.708 -4.192 1.00 1.43 H new ATOM 0 HG SER A 123 -16.023 8.245 -4.726 1.00 72.23 H new ATOM 1865 N SER A 124 -11.073 8.570 -4.799 1.00 35.44 N ATOM 1866 CA SER A 124 -9.737 8.477 -4.257 1.00 23.41 C ATOM 1867 C SER A 124 -9.666 9.296 -2.975 1.00 64.11 C ATOM 1868 O SER A 124 -10.566 10.099 -2.723 1.00 51.44 O ATOM 1869 CB SER A 124 -8.719 8.928 -5.322 1.00 53.22 C ATOM 1870 OG SER A 124 -9.135 10.072 -6.056 1.00 55.51 O ATOM 0 H SER A 124 -11.547 9.444 -4.570 1.00 35.44 H new ATOM 0 HA SER A 124 -9.487 7.448 -3.999 1.00 23.41 H new ATOM 0 HB2 SER A 124 -7.768 9.145 -4.835 1.00 53.22 H new ATOM 0 HB3 SER A 124 -8.542 8.106 -6.015 1.00 53.22 H new ATOM 0 HG SER A 124 -8.447 10.308 -6.713 1.00 55.51 H new ATOM 1876 N VAL A 125 -8.609 9.118 -2.182 1.00 20.14 N ATOM 1877 CA VAL A 125 -8.307 10.005 -1.070 1.00 42.11 C ATOM 1878 C VAL A 125 -6.826 10.363 -1.164 1.00 15.53 C ATOM 1879 O VAL A 125 -6.049 9.554 -1.682 1.00 13.34 O ATOM 1880 CB VAL A 125 -8.712 9.363 0.276 1.00 44.23 C ATOM 1881 CG1 VAL A 125 -10.210 9.024 0.338 1.00 61.11 C ATOM 1882 CG2 VAL A 125 -7.940 8.081 0.611 1.00 40.33 C ATOM 0 H VAL A 125 -7.942 8.355 -2.296 1.00 20.14 H new ATOM 0 HA VAL A 125 -8.889 10.925 -1.122 1.00 42.11 H new ATOM 0 HB VAL A 125 -8.462 10.130 1.009 1.00 44.23 H new ATOM 0 HG11 VAL A 125 -10.442 8.576 1.304 1.00 61.11 H new ATOM 0 HG12 VAL A 125 -10.795 9.935 0.211 1.00 61.11 H new ATOM 0 HG13 VAL A 125 -10.457 8.321 -0.457 1.00 61.11 H new ATOM 0 HG21 VAL A 125 -8.281 7.691 1.570 1.00 40.33 H new ATOM 0 HG22 VAL A 125 -8.115 7.337 -0.166 1.00 40.33 H new ATOM 0 HG23 VAL A 125 -6.874 8.302 0.668 1.00 40.33 H new ATOM 1892 N SER A 126 -6.428 11.549 -0.697 1.00 35.43 N ATOM 1893 CA SER A 126 -5.055 12.005 -0.801 1.00 63.13 C ATOM 1894 C SER A 126 -4.653 12.949 0.324 1.00 21.23 C ATOM 1895 O SER A 126 -5.336 13.933 0.646 1.00 4.24 O ATOM 1896 CB SER A 126 -4.761 12.605 -2.185 1.00 33.44 C ATOM 1897 OG SER A 126 -5.274 13.913 -2.344 1.00 62.21 O ATOM 0 H SER A 126 -7.053 12.213 -0.239 1.00 35.43 H new ATOM 0 HA SER A 126 -4.430 11.119 -0.687 1.00 63.13 H new ATOM 0 HB2 SER A 126 -3.683 12.622 -2.345 1.00 33.44 H new ATOM 0 HB3 SER A 126 -5.187 11.959 -2.952 1.00 33.44 H new ATOM 0 HG SER A 126 -5.056 14.243 -3.240 1.00 62.21 H new ATOM 1903 N GLY A 127 -3.495 12.656 0.905 1.00 2.51 N ATOM 1904 CA GLY A 127 -2.939 13.422 1.996 1.00 2.25 C ATOM 1905 C GLY A 127 -1.419 13.472 1.931 1.00 61.10 C ATOM 1906 O GLY A 127 -0.791 12.742 1.154 1.00 64.01 O ATOM 0 H GLY A 127 -2.914 11.867 0.622 1.00 2.51 H new ATOM 0 HA2 GLY A 127 -3.338 14.436 1.969 1.00 2.25 H new ATOM 0 HA3 GLY A 127 -3.249 12.983 2.944 1.00 2.25 H new ATOM 1910 N LYS A 128 -0.852 14.315 2.793 1.00 40.12 N ATOM 1911 CA LYS A 128 0.555 14.580 3.002 1.00 41.20 C ATOM 1912 C LYS A 128 0.989 14.013 4.342 1.00 64.31 C ATOM 1913 O LYS A 128 0.325 14.129 5.370 1.00 73.11 O ATOM 1914 CB LYS A 128 0.829 16.092 2.961 1.00 11.11 C ATOM 1915 CG LYS A 128 0.521 16.701 1.583 1.00 12.24 C ATOM 1916 CD LYS A 128 -0.495 17.837 1.699 1.00 52.52 C ATOM 1917 CE LYS A 128 -1.141 18.138 0.347 1.00 64.01 C ATOM 1918 NZ LYS A 128 -2.297 19.033 0.520 1.00 35.33 N ATOM 0 H LYS A 128 -1.429 14.879 3.418 1.00 40.12 H new ATOM 0 HA LYS A 128 1.124 14.102 2.205 1.00 41.20 H new ATOM 0 HB2 LYS A 128 0.225 16.590 3.720 1.00 11.11 H new ATOM 0 HB3 LYS A 128 1.873 16.277 3.213 1.00 11.11 H new ATOM 0 HG2 LYS A 128 1.441 17.076 1.134 1.00 12.24 H new ATOM 0 HG3 LYS A 128 0.133 15.929 0.919 1.00 12.24 H new ATOM 0 HD2 LYS A 128 -1.265 17.568 2.422 1.00 52.52 H new ATOM 0 HD3 LYS A 128 -0.002 18.733 2.077 1.00 52.52 H new ATOM 0 HE2 LYS A 128 -0.411 18.600 -0.317 1.00 64.01 H new ATOM 0 HE3 LYS A 128 -1.459 17.209 -0.126 1.00 64.01 H new ATOM 0 HZ1 LYS A 128 -2.777 19.161 -0.394 1.00 35.33 H new ATOM 0 HZ2 LYS A 128 -2.960 18.615 1.204 1.00 35.33 H new ATOM 0 HZ3 LYS A 128 -1.972 19.956 0.873 1.00 35.33 H new ATOM 1932 N VAL A 129 2.153 13.404 4.291 1.00 53.33 N ATOM 1933 CA VAL A 129 2.966 12.821 5.323 1.00 71.04 C ATOM 1934 C VAL A 129 3.182 13.849 6.434 1.00 21.33 C ATOM 1935 O VAL A 129 3.974 14.783 6.309 1.00 32.31 O ATOM 1936 CB VAL A 129 4.261 12.359 4.614 1.00 14.44 C ATOM 1937 CG1 VAL A 129 5.298 11.773 5.558 1.00 32.31 C ATOM 1938 CG2 VAL A 129 3.969 11.332 3.499 1.00 21.33 C ATOM 0 H VAL A 129 2.613 13.294 3.387 1.00 53.33 H new ATOM 0 HA VAL A 129 2.512 11.963 5.818 1.00 71.04 H new ATOM 0 HB VAL A 129 4.677 13.269 4.182 1.00 14.44 H new ATOM 0 HG11 VAL A 129 6.178 11.471 4.990 1.00 32.31 H new ATOM 0 HG12 VAL A 129 5.582 12.522 6.297 1.00 32.31 H new ATOM 0 HG13 VAL A 129 4.878 10.904 6.065 1.00 32.31 H new ATOM 0 HG21 VAL A 129 4.904 11.033 3.026 1.00 21.33 H new ATOM 0 HG22 VAL A 129 3.484 10.456 3.929 1.00 21.33 H new ATOM 0 HG23 VAL A 129 3.313 11.781 2.754 1.00 21.33 H new ATOM 1948 N GLY A 130 2.476 13.634 7.539 1.00 31.35 N ATOM 1949 CA GLY A 130 2.497 14.464 8.738 1.00 42.54 C ATOM 1950 C GLY A 130 1.189 15.215 8.992 1.00 74.30 C ATOM 1951 O GLY A 130 0.887 15.506 10.152 1.00 74.20 O ATOM 0 H GLY A 130 1.844 12.839 7.627 1.00 31.35 H new ATOM 0 HA2 GLY A 130 2.717 13.835 9.600 1.00 42.54 H new ATOM 0 HA3 GLY A 130 3.309 15.186 8.655 1.00 42.54 H new ATOM 1955 N ALA A 131 0.365 15.457 7.969 1.00 30.05 N ATOM 1956 CA ALA A 131 -0.871 16.243 8.086 1.00 32.44 C ATOM 1957 C ALA A 131 -2.106 15.359 7.911 1.00 64.02 C ATOM 1958 O ALA A 131 -1.972 14.185 7.552 1.00 61.24 O ATOM 1959 CB ALA A 131 -0.867 17.362 7.039 1.00 32.45 C ATOM 0 H ALA A 131 0.537 15.110 7.025 1.00 30.05 H new ATOM 0 HA ALA A 131 -0.912 16.679 9.084 1.00 32.44 H new ATOM 0 HB1 ALA A 131 -1.784 17.945 7.126 1.00 32.45 H new ATOM 0 HB2 ALA A 131 -0.007 18.011 7.204 1.00 32.45 H new ATOM 0 HB3 ALA A 131 -0.807 16.927 6.041 1.00 32.45 H new ATOM 1965 N ASP A 132 -3.301 15.927 8.087 1.00 14.31 N ATOM 1966 CA ASP A 132 -4.557 15.278 7.714 1.00 71.43 C ATOM 1967 C ASP A 132 -4.945 15.699 6.307 1.00 23.25 C ATOM 1968 O ASP A 132 -4.269 16.519 5.678 1.00 62.02 O ATOM 1969 CB ASP A 132 -5.683 15.634 8.686 1.00 52.32 C ATOM 1970 CG ASP A 132 -6.743 14.538 8.716 1.00 63.30 C ATOM 1971 OD1 ASP A 132 -6.546 13.576 9.493 1.00 50.12 O ATOM 1972 OD2 ASP A 132 -7.717 14.605 7.936 1.00 51.40 O ATOM 0 H ASP A 132 -3.424 16.854 8.494 1.00 14.31 H new ATOM 0 HA ASP A 132 -4.407 14.199 7.754 1.00 71.43 H new ATOM 0 HB2 ASP A 132 -5.274 15.777 9.686 1.00 52.32 H new ATOM 0 HB3 ASP A 132 -6.139 16.579 8.390 1.00 52.32 H new ATOM 1977 N LEU A 133 -5.995 15.094 5.781 1.00 24.25 N ATOM 1978 CA LEU A 133 -6.331 15.119 4.367 1.00 64.00 C ATOM 1979 C LEU A 133 -6.843 16.500 3.970 1.00 2.41 C ATOM 1980 O LEU A 133 -7.282 17.277 4.816 1.00 1.54 O ATOM 1981 CB LEU A 133 -7.375 14.022 4.099 1.00 1.12 C ATOM 1982 CG LEU A 133 -6.737 12.613 4.110 1.00 40.32 C ATOM 1983 CD1 LEU A 133 -7.417 11.737 5.149 1.00 2.44 C ATOM 1984 CD2 LEU A 133 -6.908 11.870 2.787 1.00 54.12 C ATOM 0 H LEU A 133 -6.657 14.556 6.341 1.00 24.25 H new ATOM 0 HA LEU A 133 -5.447 14.922 3.760 1.00 64.00 H new ATOM 0 HB2 LEU A 133 -8.159 14.073 4.855 1.00 1.12 H new ATOM 0 HB3 LEU A 133 -7.850 14.199 3.134 1.00 1.12 H new ATOM 0 HG LEU A 133 -5.680 12.778 4.317 1.00 40.32 H new ATOM 0 HD11 LEU A 133 -6.959 10.748 5.147 1.00 2.44 H new ATOM 0 HD12 LEU A 133 -7.304 12.187 6.135 1.00 2.44 H new ATOM 0 HD13 LEU A 133 -8.477 11.647 4.911 1.00 2.44 H new ATOM 0 HD21 LEU A 133 -6.439 10.888 2.858 1.00 54.12 H new ATOM 0 HD22 LEU A 133 -7.970 11.751 2.571 1.00 54.12 H new ATOM 0 HD23 LEU A 133 -6.437 12.440 1.986 1.00 54.12 H new ATOM 1996 N THR A 134 -6.875 16.769 2.665 1.00 52.22 N ATOM 1997 CA THR A 134 -7.658 17.874 2.108 1.00 32.13 C ATOM 1998 C THR A 134 -8.565 17.381 0.974 1.00 4.13 C ATOM 1999 O THR A 134 -9.659 17.916 0.791 1.00 21.42 O ATOM 2000 CB THR A 134 -6.747 19.068 1.756 1.00 35.31 C ATOM 2001 OG1 THR A 134 -7.486 20.163 1.271 1.00 75.11 O ATOM 2002 CG2 THR A 134 -5.671 18.755 0.723 1.00 64.21 C ATOM 0 H THR A 134 -6.362 16.231 1.967 1.00 52.22 H new ATOM 0 HA THR A 134 -8.343 18.262 2.862 1.00 32.13 H new ATOM 0 HB THR A 134 -6.259 19.308 2.701 1.00 35.31 H new ATOM 0 HG1 THR A 134 -6.877 20.901 1.060 1.00 75.11 H new ATOM 0 HG21 THR A 134 -5.077 19.649 0.534 1.00 64.21 H new ATOM 0 HG22 THR A 134 -5.025 17.962 1.100 1.00 64.21 H new ATOM 0 HG23 THR A 134 -6.141 18.430 -0.205 1.00 64.21 H new ATOM 2010 N SER A 135 -8.207 16.294 0.290 1.00 31.24 N ATOM 2011 CA SER A 135 -8.977 15.729 -0.805 1.00 32.34 C ATOM 2012 C SER A 135 -9.216 14.286 -0.397 1.00 1.24 C ATOM 2013 O SER A 135 -8.361 13.445 -0.627 1.00 11.14 O ATOM 2014 CB SER A 135 -8.191 15.866 -2.121 1.00 41.53 C ATOM 2015 OG SER A 135 -8.300 17.182 -2.653 1.00 44.42 O ATOM 0 H SER A 135 -7.353 15.774 0.491 1.00 31.24 H new ATOM 0 HA SER A 135 -9.925 16.236 -0.984 1.00 32.34 H new ATOM 0 HB2 SER A 135 -7.142 15.627 -1.947 1.00 41.53 H new ATOM 0 HB3 SER A 135 -8.566 15.145 -2.848 1.00 41.53 H new ATOM 0 HG SER A 135 -7.790 17.241 -3.488 1.00 44.42 H new ATOM 2021 N GLY A 136 -10.313 13.998 0.305 1.00 54.53 N ATOM 2022 CA GLY A 136 -10.619 12.627 0.698 1.00 53.34 C ATOM 2023 C GLY A 136 -10.621 12.367 2.195 1.00 60.40 C ATOM 2024 O GLY A 136 -10.443 11.227 2.616 1.00 73.10 O ATOM 0 H GLY A 136 -10.997 14.691 0.610 1.00 54.53 H new ATOM 0 HA2 GLY A 136 -11.598 12.362 0.298 1.00 53.34 H new ATOM 0 HA3 GLY A 136 -9.893 11.962 0.231 1.00 53.34 H new ATOM 2028 N ASN A 137 -10.827 13.387 3.021 1.00 74.14 N ATOM 2029 CA ASN A 137 -11.352 13.181 4.368 1.00 4.14 C ATOM 2030 C ASN A 137 -12.842 12.841 4.275 1.00 51.21 C ATOM 2031 O ASN A 137 -13.471 13.097 3.247 1.00 72.43 O ATOM 2032 CB ASN A 137 -11.116 14.396 5.278 1.00 3.22 C ATOM 2033 CG ASN A 137 -11.005 15.715 4.533 1.00 31.45 C ATOM 2034 OD1 ASN A 137 -11.764 16.016 3.616 1.00 60.02 O ATOM 2035 ND2 ASN A 137 -9.997 16.499 4.843 1.00 53.53 N ATOM 0 H ASN A 137 -10.640 14.361 2.784 1.00 74.14 H new ATOM 0 HA ASN A 137 -10.814 12.351 4.825 1.00 4.14 H new ATOM 0 HB2 ASN A 137 -11.934 14.464 5.995 1.00 3.22 H new ATOM 0 HB3 ASN A 137 -10.202 14.236 5.850 1.00 3.22 H new ATOM 0 HD21 ASN A 137 -9.843 17.362 4.321 1.00 53.53 H new ATOM 0 HD22 ASN A 137 -9.369 16.245 5.606 1.00 53.53 H new ATOM 2042 N GLY A 138 -13.424 12.309 5.353 1.00 1.33 N ATOM 2043 CA GLY A 138 -14.869 12.315 5.555 1.00 40.41 C ATOM 2044 C GLY A 138 -15.665 11.229 4.821 1.00 23.11 C ATOM 2045 O GLY A 138 -16.891 11.230 4.937 1.00 32.13 O ATOM 0 H GLY A 138 -12.904 11.863 6.108 1.00 1.33 H new ATOM 0 HA2 GLY A 138 -15.065 12.219 6.623 1.00 40.41 H new ATOM 0 HA3 GLY A 138 -15.253 13.287 5.246 1.00 40.41 H new ATOM 2049 N THR A 139 -15.036 10.300 4.101 1.00 62.34 N ATOM 2050 CA THR A 139 -15.706 9.280 3.287 1.00 13.44 C ATOM 2051 C THR A 139 -15.466 7.867 3.842 1.00 22.42 C ATOM 2052 O THR A 139 -14.690 7.659 4.774 1.00 33.23 O ATOM 2053 CB THR A 139 -15.263 9.362 1.802 1.00 21.34 C ATOM 2054 OG1 THR A 139 -14.459 10.485 1.472 1.00 43.43 O ATOM 2055 CG2 THR A 139 -16.483 9.357 0.883 1.00 73.40 C ATOM 0 H THR A 139 -14.019 10.232 4.065 1.00 62.34 H new ATOM 0 HA THR A 139 -16.776 9.484 3.336 1.00 13.44 H new ATOM 0 HB THR A 139 -14.641 8.479 1.654 1.00 21.34 H new ATOM 0 HG1 THR A 139 -14.227 10.453 0.520 1.00 43.43 H new ATOM 0 HG21 THR A 139 -16.157 9.415 -0.155 1.00 73.40 H new ATOM 0 HG22 THR A 139 -17.049 8.438 1.035 1.00 73.40 H new ATOM 0 HG23 THR A 139 -17.115 10.215 1.113 1.00 73.40 H new ATOM 2063 N THR A 140 -16.103 6.872 3.228 1.00 63.21 N ATOM 2064 CA THR A 140 -15.856 5.450 3.415 1.00 35.01 C ATOM 2065 C THR A 140 -16.113 4.773 2.073 1.00 12.12 C ATOM 2066 O THR A 140 -16.917 5.279 1.284 1.00 75.43 O ATOM 2067 CB THR A 140 -16.740 4.919 4.558 1.00 62.31 C ATOM 2068 OG1 THR A 140 -16.582 3.531 4.762 1.00 54.33 O ATOM 2069 CG2 THR A 140 -18.233 5.203 4.349 1.00 43.30 C ATOM 0 H THR A 140 -16.845 7.049 2.551 1.00 63.21 H new ATOM 0 HA THR A 140 -14.830 5.238 3.714 1.00 35.01 H new ATOM 0 HB THR A 140 -16.396 5.462 5.438 1.00 62.31 H new ATOM 0 HG1 THR A 140 -15.718 3.244 4.401 1.00 54.33 H new ATOM 0 HG21 THR A 140 -18.801 4.803 5.189 1.00 43.30 H new ATOM 0 HG22 THR A 140 -18.393 6.279 4.282 1.00 43.30 H new ATOM 0 HG23 THR A 140 -18.568 4.729 3.427 1.00 43.30 H new ATOM 2077 N PHE A 141 -15.448 3.645 1.835 1.00 11.53 N ATOM 2078 CA PHE A 141 -15.541 2.800 0.648 1.00 12.43 C ATOM 2079 C PHE A 141 -15.555 1.330 1.105 1.00 13.25 C ATOM 2080 O PHE A 141 -15.276 1.018 2.267 1.00 33.21 O ATOM 2081 CB PHE A 141 -14.339 3.035 -0.294 1.00 2.51 C ATOM 2082 CG PHE A 141 -14.008 4.440 -0.791 1.00 14.41 C ATOM 2083 CD1 PHE A 141 -15.001 5.396 -1.071 1.00 61.24 C ATOM 2084 CD2 PHE A 141 -12.661 4.799 -0.987 1.00 2.41 C ATOM 2085 CE1 PHE A 141 -14.648 6.709 -1.431 1.00 4.51 C ATOM 2086 CE2 PHE A 141 -12.303 6.098 -1.384 1.00 24.33 C ATOM 2087 CZ PHE A 141 -13.298 7.067 -1.579 1.00 22.25 C ATOM 0 H PHE A 141 -14.784 3.272 2.514 1.00 11.53 H new ATOM 0 HA PHE A 141 -16.451 3.045 0.101 1.00 12.43 H new ATOM 0 HB2 PHE A 141 -13.453 2.656 0.215 1.00 2.51 H new ATOM 0 HB3 PHE A 141 -14.493 2.410 -1.174 1.00 2.51 H new ATOM 0 HD1 PHE A 141 -16.043 5.120 -1.009 1.00 61.24 H new ATOM 0 HD2 PHE A 141 -11.888 4.062 -0.829 1.00 2.41 H new ATOM 0 HE1 PHE A 141 -15.420 7.446 -1.595 1.00 4.51 H new ATOM 0 HE2 PHE A 141 -11.264 6.350 -1.539 1.00 24.33 H new ATOM 0 HZ PHE A 141 -13.028 8.080 -1.841 1.00 22.25 H new ATOM 2097 N LYS A 142 -15.853 0.383 0.212 1.00 33.42 N ATOM 2098 CA LYS A 142 -15.911 -1.030 0.582 1.00 53.51 C ATOM 2099 C LYS A 142 -14.530 -1.674 0.626 1.00 54.50 C ATOM 2100 O LYS A 142 -13.657 -1.443 -0.216 1.00 31.35 O ATOM 2101 CB LYS A 142 -16.818 -1.826 -0.354 1.00 1.14 C ATOM 2102 CG LYS A 142 -18.309 -1.479 -0.215 1.00 23.11 C ATOM 2103 CD LYS A 142 -19.166 -2.264 -1.218 1.00 53.14 C ATOM 2104 CE LYS A 142 -20.626 -2.297 -0.747 1.00 41.22 C ATOM 2105 NZ LYS A 142 -21.534 -2.976 -1.702 1.00 63.22 N ATOM 0 H LYS A 142 -16.057 0.570 -0.770 1.00 33.42 H new ATOM 0 HA LYS A 142 -16.333 -1.058 1.587 1.00 53.51 H new ATOM 0 HB2 LYS A 142 -16.508 -1.649 -1.384 1.00 1.14 H new ATOM 0 HB3 LYS A 142 -16.682 -2.890 -0.159 1.00 1.14 H new ATOM 0 HG2 LYS A 142 -18.642 -1.699 0.799 1.00 23.11 H new ATOM 0 HG3 LYS A 142 -18.451 -0.410 -0.372 1.00 23.11 H new ATOM 0 HD2 LYS A 142 -19.103 -1.801 -2.203 1.00 53.14 H new ATOM 0 HD3 LYS A 142 -18.784 -3.280 -1.318 1.00 53.14 H new ATOM 0 HE2 LYS A 142 -20.678 -2.804 0.217 1.00 41.22 H new ATOM 0 HE3 LYS A 142 -20.973 -1.276 -0.590 1.00 41.22 H new ATOM 0 HZ1 LYS A 142 -22.504 -2.965 -1.327 1.00 63.22 H new ATOM 0 HZ2 LYS A 142 -21.511 -2.480 -2.616 1.00 63.22 H new ATOM 0 HZ3 LYS A 142 -21.225 -3.960 -1.835 1.00 63.22 H new ATOM 2119 N LYS A 143 -14.378 -2.622 1.549 1.00 40.23 N ATOM 2120 CA LYS A 143 -13.163 -3.403 1.758 1.00 51.23 C ATOM 2121 C LYS A 143 -12.825 -4.298 0.566 1.00 74.23 C ATOM 2122 O LYS A 143 -11.667 -4.662 0.403 1.00 41.32 O ATOM 2123 CB LYS A 143 -13.333 -4.181 3.068 1.00 13.45 C ATOM 2124 CG LYS A 143 -12.052 -4.757 3.669 1.00 61.24 C ATOM 2125 CD LYS A 143 -11.675 -6.147 3.155 1.00 61.31 C ATOM 2126 CE LYS A 143 -10.210 -6.193 2.722 1.00 71.14 C ATOM 2127 NZ LYS A 143 -9.824 -7.545 2.288 1.00 13.35 N ATOM 0 H LYS A 143 -15.126 -2.876 2.195 1.00 40.23 H new ATOM 0 HA LYS A 143 -12.303 -2.739 1.840 1.00 51.23 H new ATOM 0 HB2 LYS A 143 -13.793 -3.521 3.804 1.00 13.45 H new ATOM 0 HB3 LYS A 143 -14.031 -5.000 2.894 1.00 13.45 H new ATOM 0 HG2 LYS A 143 -11.230 -4.072 3.462 1.00 61.24 H new ATOM 0 HG3 LYS A 143 -12.163 -4.803 4.752 1.00 61.24 H new ATOM 0 HD2 LYS A 143 -11.850 -6.887 3.936 1.00 61.31 H new ATOM 0 HD3 LYS A 143 -12.315 -6.413 2.314 1.00 61.31 H new ATOM 0 HE2 LYS A 143 -10.047 -5.487 1.908 1.00 71.14 H new ATOM 0 HE3 LYS A 143 -9.574 -5.879 3.549 1.00 71.14 H new ATOM 0 HZ1 LYS A 143 -9.180 -7.478 1.474 1.00 13.35 H new ATOM 0 HZ2 LYS A 143 -9.345 -8.037 3.069 1.00 13.35 H new ATOM 0 HZ3 LYS A 143 -10.674 -8.077 2.014 1.00 13.35 H new ATOM 2141 N ARG A 144 -13.760 -4.569 -0.352 1.00 23.01 N ATOM 2142 CA ARG A 144 -13.448 -5.323 -1.568 1.00 62.43 C ATOM 2143 C ARG A 144 -12.865 -4.476 -2.718 1.00 51.12 C ATOM 2144 O ARG A 144 -12.175 -5.039 -3.562 1.00 71.02 O ATOM 2145 CB ARG A 144 -14.641 -6.210 -1.986 1.00 15.55 C ATOM 2146 CG ARG A 144 -15.946 -5.468 -2.326 1.00 63.23 C ATOM 2147 CD ARG A 144 -17.176 -6.393 -2.307 1.00 12.45 C ATOM 2148 NE ARG A 144 -17.274 -7.274 -3.483 1.00 22.01 N ATOM 2149 CZ ARG A 144 -18.241 -7.261 -4.411 1.00 71.01 C ATOM 2150 NH1 ARG A 144 -19.374 -6.582 -4.242 1.00 15.44 N ATOM 2151 NH2 ARG A 144 -18.053 -7.943 -5.529 1.00 12.32 N ATOM 0 H ARG A 144 -14.735 -4.278 -0.275 1.00 23.01 H new ATOM 0 HA ARG A 144 -12.622 -5.988 -1.316 1.00 62.43 H new ATOM 0 HB2 ARG A 144 -14.344 -6.799 -2.854 1.00 15.55 H new ATOM 0 HB3 ARG A 144 -14.846 -6.913 -1.179 1.00 15.55 H new ATOM 0 HG2 ARG A 144 -16.095 -4.657 -1.613 1.00 63.23 H new ATOM 0 HG3 ARG A 144 -15.854 -5.012 -3.312 1.00 63.23 H new ATOM 0 HD2 ARG A 144 -17.144 -7.006 -1.407 1.00 12.45 H new ATOM 0 HD3 ARG A 144 -18.077 -5.783 -2.245 1.00 12.45 H new ATOM 0 HE ARG A 144 -16.532 -7.963 -3.603 1.00 22.01 H new ATOM 0 HH11 ARG A 144 -19.527 -6.050 -3.385 1.00 15.44 H new ATOM 0 HH12 ARG A 144 -20.089 -6.594 -4.969 1.00 15.44 H new ATOM 0 HH21 ARG A 144 -17.187 -8.463 -5.670 1.00 12.32 H new ATOM 0 HH22 ARG A 144 -18.774 -7.949 -6.250 1.00 12.32 H new ATOM 2165 N PHE A 145 -13.071 -3.154 -2.779 1.00 72.30 N ATOM 2166 CA PHE A 145 -13.011 -2.417 -4.056 1.00 14.44 C ATOM 2167 C PHE A 145 -11.818 -1.458 -4.270 1.00 42.43 C ATOM 2168 O PHE A 145 -11.778 -0.759 -5.285 1.00 55.33 O ATOM 2169 CB PHE A 145 -14.356 -1.683 -4.237 1.00 0.25 C ATOM 2170 CG PHE A 145 -15.539 -2.507 -4.746 1.00 41.20 C ATOM 2171 CD1 PHE A 145 -15.379 -3.531 -5.706 1.00 33.04 C ATOM 2172 CD2 PHE A 145 -16.842 -2.186 -4.314 1.00 63.33 C ATOM 2173 CE1 PHE A 145 -16.495 -4.240 -6.184 1.00 15.14 C ATOM 2174 CE2 PHE A 145 -17.959 -2.884 -4.807 1.00 72.33 C ATOM 2175 CZ PHE A 145 -17.788 -3.918 -5.742 1.00 0.44 C ATOM 0 H PHE A 145 -13.280 -2.573 -1.967 1.00 72.30 H new ATOM 0 HA PHE A 145 -12.834 -3.169 -4.825 1.00 14.44 H new ATOM 0 HB2 PHE A 145 -14.635 -1.248 -3.277 1.00 0.25 H new ATOM 0 HB3 PHE A 145 -14.199 -0.855 -4.928 1.00 0.25 H new ATOM 0 HD1 PHE A 145 -14.393 -3.771 -6.075 1.00 33.04 H new ATOM 0 HD2 PHE A 145 -16.984 -1.393 -3.595 1.00 63.33 H new ATOM 0 HE1 PHE A 145 -16.356 -5.039 -6.897 1.00 15.14 H new ATOM 0 HE2 PHE A 145 -18.950 -2.624 -4.466 1.00 72.33 H new ATOM 0 HZ PHE A 145 -18.643 -4.460 -6.117 1.00 0.44 H new ATOM 2185 N ILE A 146 -10.845 -1.388 -3.364 1.00 51.40 N ATOM 2186 CA ILE A 146 -9.720 -0.449 -3.402 1.00 11.45 C ATOM 2187 C ILE A 146 -8.489 -1.252 -3.793 1.00 53.50 C ATOM 2188 O ILE A 146 -8.142 -2.202 -3.095 1.00 2.12 O ATOM 2189 CB ILE A 146 -9.549 0.243 -2.028 1.00 54.44 C ATOM 2190 CG1 ILE A 146 -10.848 0.922 -1.533 1.00 35.43 C ATOM 2191 CG2 ILE A 146 -8.423 1.290 -2.055 1.00 72.41 C ATOM 2192 CD1 ILE A 146 -10.947 0.848 -0.013 1.00 12.24 C ATOM 0 H ILE A 146 -10.815 -2.005 -2.552 1.00 51.40 H new ATOM 0 HA ILE A 146 -9.888 0.348 -4.127 1.00 11.45 H new ATOM 0 HB ILE A 146 -9.290 -0.556 -1.333 1.00 54.44 H new ATOM 0 HG12 ILE A 146 -10.865 1.964 -1.854 1.00 35.43 H new ATOM 0 HG13 ILE A 146 -11.713 0.436 -1.983 1.00 35.43 H new ATOM 0 HG21 ILE A 146 -8.334 1.754 -1.073 1.00 72.41 H new ATOM 0 HG22 ILE A 146 -7.482 0.805 -2.314 1.00 72.41 H new ATOM 0 HG23 ILE A 146 -8.654 2.054 -2.797 1.00 72.41 H new ATOM 0 HD11 ILE A 146 -11.867 1.331 0.316 1.00 12.24 H new ATOM 0 HD12 ILE A 146 -10.953 -0.196 0.301 1.00 12.24 H new ATOM 0 HD13 ILE A 146 -10.092 1.356 0.432 1.00 12.24 H new ATOM 2204 N ASP A 147 -7.859 -0.926 -4.922 1.00 51.22 N ATOM 2205 CA ASP A 147 -6.838 -1.781 -5.535 1.00 4.13 C ATOM 2206 C ASP A 147 -5.686 -0.967 -6.149 1.00 20.35 C ATOM 2207 O ASP A 147 -4.878 -1.516 -6.897 1.00 51.32 O ATOM 2208 CB ASP A 147 -7.458 -2.671 -6.624 1.00 24.41 C ATOM 2209 CG ASP A 147 -8.698 -3.460 -6.178 1.00 0.11 C ATOM 2210 OD1 ASP A 147 -8.565 -4.585 -5.638 1.00 54.43 O ATOM 2211 OD2 ASP A 147 -9.843 -3.023 -6.440 1.00 73.20 O ATOM 0 H ASP A 147 -8.040 -0.065 -5.437 1.00 51.22 H new ATOM 0 HA ASP A 147 -6.431 -2.400 -4.735 1.00 4.13 H new ATOM 0 HB2 ASP A 147 -7.728 -2.046 -7.475 1.00 24.41 H new ATOM 0 HB3 ASP A 147 -6.702 -3.375 -6.973 1.00 24.41 H new ATOM 2216 N LYS A 148 -5.596 0.340 -5.877 1.00 20.25 N ATOM 2217 CA LYS A 148 -4.551 1.203 -6.434 1.00 55.51 C ATOM 2218 C LYS A 148 -4.115 2.211 -5.397 1.00 73.31 C ATOM 2219 O LYS A 148 -4.968 2.729 -4.676 1.00 52.11 O ATOM 2220 CB LYS A 148 -5.094 1.931 -7.675 1.00 1.14 C ATOM 2221 CG LYS A 148 -4.708 1.198 -8.962 1.00 41.32 C ATOM 2222 CD LYS A 148 -3.607 1.913 -9.752 1.00 15.13 C ATOM 2223 CE LYS A 148 -4.102 3.207 -10.410 1.00 13.34 C ATOM 2224 NZ LYS A 148 -4.743 2.958 -11.714 1.00 54.30 N ATOM 0 H LYS A 148 -6.248 0.829 -5.263 1.00 20.25 H new ATOM 0 HA LYS A 148 -3.693 0.594 -6.720 1.00 55.51 H new ATOM 0 HB2 LYS A 148 -6.179 2.007 -7.609 1.00 1.14 H new ATOM 0 HB3 LYS A 148 -4.704 2.948 -7.702 1.00 1.14 H new ATOM 0 HG2 LYS A 148 -4.373 0.191 -8.713 1.00 41.32 H new ATOM 0 HG3 LYS A 148 -5.591 1.094 -9.593 1.00 41.32 H new ATOM 0 HD2 LYS A 148 -2.777 2.143 -9.085 1.00 15.13 H new ATOM 0 HD3 LYS A 148 -3.222 1.243 -10.520 1.00 15.13 H new ATOM 0 HE2 LYS A 148 -4.812 3.702 -9.747 1.00 13.34 H new ATOM 0 HE3 LYS A 148 -3.262 3.889 -10.544 1.00 13.34 H new ATOM 0 HZ1 LYS A 148 -5.062 3.860 -12.122 1.00 54.30 H new ATOM 0 HZ2 LYS A 148 -4.059 2.510 -12.357 1.00 54.30 H new ATOM 0 HZ3 LYS A 148 -5.561 2.328 -11.584 1.00 54.30 H new ATOM 2238 N ILE A 149 -2.832 2.567 -5.386 1.00 64.00 N ATOM 2239 CA ILE A 149 -2.314 3.738 -4.685 1.00 63.03 C ATOM 2240 C ILE A 149 -1.223 4.319 -5.584 1.00 21.05 C ATOM 2241 O ILE A 149 -0.378 3.570 -6.059 1.00 40.51 O ATOM 2242 CB ILE A 149 -1.742 3.383 -3.285 1.00 33.11 C ATOM 2243 CG1 ILE A 149 -2.705 2.602 -2.360 1.00 54.23 C ATOM 2244 CG2 ILE A 149 -1.311 4.665 -2.546 1.00 63.04 C ATOM 2245 CD1 ILE A 149 -2.617 1.076 -2.483 1.00 51.10 C ATOM 0 H ILE A 149 -2.109 2.038 -5.874 1.00 64.00 H new ATOM 0 HA ILE A 149 -3.115 4.454 -4.501 1.00 63.03 H new ATOM 0 HB ILE A 149 -0.899 2.724 -3.494 1.00 33.11 H new ATOM 0 HG12 ILE A 149 -2.501 2.882 -1.327 1.00 54.23 H new ATOM 0 HG13 ILE A 149 -3.727 2.912 -2.578 1.00 54.23 H new ATOM 0 HG21 ILE A 149 -0.912 4.403 -1.566 1.00 63.04 H new ATOM 0 HG22 ILE A 149 -0.543 5.178 -3.125 1.00 63.04 H new ATOM 0 HG23 ILE A 149 -2.173 5.321 -2.423 1.00 63.04 H new ATOM 0 HD11 ILE A 149 -3.328 0.614 -1.798 1.00 51.10 H new ATOM 0 HD12 ILE A 149 -2.853 0.779 -3.505 1.00 51.10 H new ATOM 0 HD13 ILE A 149 -1.608 0.749 -2.234 1.00 51.10 H new ATOM 2257 N THR A 150 -1.200 5.629 -5.798 1.00 11.23 N ATOM 2258 CA THR A 150 -0.096 6.337 -6.429 1.00 63.30 C ATOM 2259 C THR A 150 0.519 7.302 -5.424 1.00 54.33 C ATOM 2260 O THR A 150 -0.078 7.590 -4.382 1.00 64.33 O ATOM 2261 CB THR A 150 -0.572 7.047 -7.706 1.00 63.11 C ATOM 2262 OG1 THR A 150 -1.663 7.904 -7.438 1.00 53.42 O ATOM 2263 CG2 THR A 150 -1.013 6.051 -8.777 1.00 31.21 C ATOM 0 H THR A 150 -1.969 6.243 -5.530 1.00 11.23 H new ATOM 0 HA THR A 150 0.675 5.630 -6.734 1.00 63.30 H new ATOM 0 HB THR A 150 0.280 7.623 -8.068 1.00 63.11 H new ATOM 0 HG1 THR A 150 -1.945 8.344 -8.267 1.00 53.42 H new ATOM 0 HG21 THR A 150 -1.342 6.592 -9.664 1.00 31.21 H new ATOM 0 HG22 THR A 150 -0.176 5.403 -9.037 1.00 31.21 H new ATOM 0 HG23 THR A 150 -1.835 5.446 -8.395 1.00 31.21 H new ATOM 2271 N ILE A 151 1.699 7.833 -5.742 1.00 22.01 N ATOM 2272 CA ILE A 151 2.305 8.920 -4.992 1.00 51.14 C ATOM 2273 C ILE A 151 2.677 10.023 -5.980 1.00 42.42 C ATOM 2274 O ILE A 151 3.135 9.759 -7.095 1.00 43.54 O ATOM 2275 CB ILE A 151 3.467 8.400 -4.119 1.00 32.04 C ATOM 2276 CG1 ILE A 151 2.935 7.522 -2.959 1.00 41.10 C ATOM 2277 CG2 ILE A 151 4.246 9.563 -3.494 1.00 40.32 C ATOM 2278 CD1 ILE A 151 3.116 6.023 -3.184 1.00 64.24 C ATOM 0 H ILE A 151 2.260 7.516 -6.532 1.00 22.01 H new ATOM 0 HA ILE A 151 1.609 9.355 -4.274 1.00 51.14 H new ATOM 0 HB ILE A 151 4.116 7.816 -4.772 1.00 32.04 H new ATOM 0 HG12 ILE A 151 3.445 7.805 -2.038 1.00 41.10 H new ATOM 0 HG13 ILE A 151 1.875 7.732 -2.814 1.00 41.10 H new ATOM 0 HG21 ILE A 151 5.059 9.170 -2.884 1.00 40.32 H new ATOM 0 HG22 ILE A 151 4.656 10.192 -4.284 1.00 40.32 H new ATOM 0 HG23 ILE A 151 3.577 10.155 -2.869 1.00 40.32 H new ATOM 0 HD11 ILE A 151 2.719 5.476 -2.329 1.00 64.24 H new ATOM 0 HD12 ILE A 151 2.582 5.723 -4.086 1.00 64.24 H new ATOM 0 HD13 ILE A 151 4.176 5.798 -3.298 1.00 64.24 H new ATOM 2290 N ASP A 152 2.391 11.250 -5.563 1.00 44.54 N ATOM 2291 CA ASP A 152 2.712 12.524 -6.196 1.00 1.14 C ATOM 2292 C ASP A 152 4.179 12.852 -5.961 1.00 4.52 C ATOM 2293 O ASP A 152 4.603 12.967 -4.791 1.00 41.20 O ATOM 2294 CB ASP A 152 1.816 13.593 -5.583 1.00 20.02 C ATOM 2295 CG ASP A 152 2.150 15.009 -6.022 1.00 14.55 C ATOM 2296 OD1 ASP A 152 2.520 15.241 -7.198 1.00 61.23 O ATOM 2297 OD2 ASP A 152 1.936 15.924 -5.198 1.00 0.15 O ATOM 0 H ASP A 152 1.881 11.392 -4.691 1.00 44.54 H new ATOM 0 HA ASP A 152 2.543 12.477 -7.272 1.00 1.14 H new ATOM 0 HB2 ASP A 152 0.780 13.378 -5.845 1.00 20.02 H new ATOM 0 HB3 ASP A 152 1.889 13.534 -4.497 1.00 20.02 H new