USER MOD reduce.3.24.130724 H: found=0, std=0, add=689, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 687 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 36 GLN : amide:sc= -0.0689 X(o=1.1,f=1.1) USER MOD Set 1.2: A 89 THR OG1 : rot -77:sc= 1.16 USER MOD Set 2.1: A 35 CYS SG : rot -164:sc= -0.435 USER MOD Set 2.2: A 88 MET CE :methyl -147:sc= -2.14 (180deg=-5.99!) USER MOD Set 3.1: A 46 ASN :FLIP amide:sc= -1.38 F(o=-9.6,f=-5.4) USER MOD Set 3.2: A 47 ASN : amide:sc= -4.07 K(o=-5.4,f=-9.7) USER MOD Set 4.1: A 40 MET CE :methyl -118:sc= -3.07 (180deg=-6.87!) USER MOD Set 4.2: A 41 TYR OH : rot 30:sc= -0.893 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 7:sc= 0.841! USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot -57:sc= 0.167 USER MOD Single : A 8 GLN : amide:sc= -0.121 K(o=-0.12,f=-1.9!) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0.00325 USER MOD Single : A 16 HIS : no HD1:sc= -0.127 X(o=-0.13,f=-0.19) USER MOD Single : A 18 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.18) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot -140:sc= -0.894 USER MOD Single : A 28 THR OG1 : rot 38:sc= 0.147 USER MOD Single : A 32 HIS : no HD1:sc= -0.674 X(o=-0.67,f=-0.25) USER MOD Single : A 43 TYR OH : rot -107:sc= 0.251 USER MOD Single : A 52 SER OG : rot 48:sc= 0.17 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN : amide:sc= -0.689 K(o=-0.69,f=-2.6!) USER MOD Single : A 60 ASN : amide:sc= -3.12! C(o=-3.1!,f=-7.6!) USER MOD Single : A 62 MET CE :methyl 162:sc= 0 (180deg=-0.284) USER MOD Single : A 63 ASN : amide:sc= 0.201 X(o=0.2,f=-0.034) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 75 ASN : amide:sc= -0.0415 X(o=-0.042,f=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 25:sc= 1.04 USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 THR OG1 : rot 55:sc= -0.0814! USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 2.707 28.390 10.360 1.00 0.00 N ATOM 2 CA GLY A 1 1.556 27.700 9.807 1.00 0.00 C ATOM 3 C GLY A 1 0.906 28.473 8.677 1.00 0.00 C ATOM 4 O GLY A 1 -0.303 28.708 8.692 1.00 0.00 O ATOM 0 H1 GLY A 1 3.116 27.822 11.129 1.00 0.00 H new ATOM 0 H2 GLY A 1 3.419 28.529 9.615 1.00 0.00 H new ATOM 0 H3 GLY A 1 2.411 29.315 10.733 1.00 0.00 H new ATOM 0 HA2 GLY A 1 1.864 26.720 9.443 1.00 0.00 H new ATOM 0 HA3 GLY A 1 0.823 27.531 10.596 1.00 0.00 H new ATOM 8 N SER A 2 1.708 28.872 7.695 1.00 0.00 N ATOM 9 CA SER A 2 1.204 29.628 6.555 1.00 0.00 C ATOM 10 C SER A 2 0.819 28.694 5.411 1.00 0.00 C ATOM 11 O SER A 2 1.665 27.991 4.858 1.00 0.00 O ATOM 12 CB SER A 2 2.255 30.632 6.077 1.00 0.00 C ATOM 13 OG SER A 2 3.292 29.984 5.363 1.00 0.00 O ATOM 0 H SER A 2 2.710 28.684 7.666 1.00 0.00 H new ATOM 0 HA SER A 2 0.314 30.169 6.874 1.00 0.00 H new ATOM 0 HB2 SER A 2 1.784 31.381 5.440 1.00 0.00 H new ATOM 0 HB3 SER A 2 2.674 31.160 6.934 1.00 0.00 H new ATOM 0 HG SER A 2 3.063 29.039 5.238 1.00 0.00 H new ATOM 19 N SER A 3 -0.463 28.694 5.062 1.00 0.00 N ATOM 20 CA SER A 3 -0.962 27.844 3.987 1.00 0.00 C ATOM 21 C SER A 3 0.071 27.717 2.871 1.00 0.00 C ATOM 22 O SER A 3 0.809 28.658 2.583 1.00 0.00 O ATOM 23 CB SER A 3 -2.268 28.410 3.426 1.00 0.00 C ATOM 24 OG SER A 3 -3.307 28.343 4.387 1.00 0.00 O ATOM 0 H SER A 3 -1.175 29.273 5.508 1.00 0.00 H new ATOM 0 HA SER A 3 -1.151 26.852 4.399 1.00 0.00 H new ATOM 0 HB2 SER A 3 -2.118 29.445 3.120 1.00 0.00 H new ATOM 0 HB3 SER A 3 -2.556 27.853 2.535 1.00 0.00 H new ATOM 0 HG SER A 3 -4.130 28.712 4.005 1.00 0.00 H new ATOM 30 N GLY A 4 0.117 26.544 2.246 1.00 0.00 N ATOM 31 CA GLY A 4 1.062 26.314 1.169 1.00 0.00 C ATOM 32 C GLY A 4 0.786 25.024 0.422 1.00 0.00 C ATOM 33 O GLY A 4 1.035 23.935 0.938 1.00 0.00 O ATOM 0 H GLY A 4 -0.483 25.749 2.466 1.00 0.00 H new ATOM 0 HA2 GLY A 4 1.023 27.150 0.471 1.00 0.00 H new ATOM 0 HA3 GLY A 4 2.073 26.285 1.576 1.00 0.00 H new ATOM 37 N SER A 5 0.269 25.147 -0.796 1.00 0.00 N ATOM 38 CA SER A 5 -0.046 23.981 -1.614 1.00 0.00 C ATOM 39 C SER A 5 1.216 23.408 -2.253 1.00 0.00 C ATOM 40 O SER A 5 2.104 24.150 -2.673 1.00 0.00 O ATOM 41 CB SER A 5 -1.058 24.352 -2.700 1.00 0.00 C ATOM 42 OG SER A 5 -2.356 24.508 -2.155 1.00 0.00 O ATOM 0 H SER A 5 0.059 26.042 -1.238 1.00 0.00 H new ATOM 0 HA SER A 5 -0.481 23.220 -0.966 1.00 0.00 H new ATOM 0 HB2 SER A 5 -0.751 25.278 -3.187 1.00 0.00 H new ATOM 0 HB3 SER A 5 -1.073 23.578 -3.467 1.00 0.00 H new ATOM 0 HG SER A 5 -2.984 24.747 -2.869 1.00 0.00 H new ATOM 48 N SER A 6 1.288 22.083 -2.322 1.00 0.00 N ATOM 49 CA SER A 6 2.442 21.409 -2.905 1.00 0.00 C ATOM 50 C SER A 6 2.301 21.306 -4.421 1.00 0.00 C ATOM 51 O SER A 6 2.480 20.236 -5.001 1.00 0.00 O ATOM 52 CB SER A 6 2.603 20.013 -2.301 1.00 0.00 C ATOM 53 OG SER A 6 3.851 19.444 -2.658 1.00 0.00 O ATOM 0 H SER A 6 0.560 21.455 -1.981 1.00 0.00 H new ATOM 0 HA SER A 6 3.330 22.000 -2.678 1.00 0.00 H new ATOM 0 HB2 SER A 6 2.524 20.072 -1.215 1.00 0.00 H new ATOM 0 HB3 SER A 6 1.794 19.369 -2.645 1.00 0.00 H new ATOM 0 HG SER A 6 3.928 19.412 -3.634 1.00 0.00 H new ATOM 59 N GLY A 7 1.980 22.429 -5.057 1.00 0.00 N ATOM 60 CA GLY A 7 1.820 22.445 -6.499 1.00 0.00 C ATOM 61 C GLY A 7 0.577 21.707 -6.953 1.00 0.00 C ATOM 62 O GLY A 7 -0.517 22.271 -6.967 1.00 0.00 O ATOM 0 H GLY A 7 1.828 23.328 -4.599 1.00 0.00 H new ATOM 0 HA2 GLY A 7 1.772 23.478 -6.845 1.00 0.00 H new ATOM 0 HA3 GLY A 7 2.697 21.994 -6.964 1.00 0.00 H new ATOM 66 N GLN A 8 0.744 20.442 -7.327 1.00 0.00 N ATOM 67 CA GLN A 8 -0.374 19.628 -7.786 1.00 0.00 C ATOM 68 C GLN A 8 -0.561 18.406 -6.893 1.00 0.00 C ATOM 69 O GLN A 8 0.409 17.830 -6.400 1.00 0.00 O ATOM 70 CB GLN A 8 -0.151 19.186 -9.234 1.00 0.00 C ATOM 71 CG GLN A 8 -0.580 20.223 -10.259 1.00 0.00 C ATOM 72 CD GLN A 8 0.108 20.040 -11.598 1.00 0.00 C ATOM 73 OE1 GLN A 8 1.193 19.463 -11.677 1.00 0.00 O ATOM 74 NE2 GLN A 8 -0.521 20.531 -12.659 1.00 0.00 N ATOM 0 H GLN A 8 1.643 19.960 -7.321 1.00 0.00 H new ATOM 0 HA GLN A 8 -1.277 20.236 -7.734 1.00 0.00 H new ATOM 0 HB2 GLN A 8 0.906 18.961 -9.378 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -0.701 18.262 -9.412 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -1.659 20.165 -10.399 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -0.361 21.220 -9.876 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -1.419 21.002 -12.547 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -0.106 20.437 -13.586 1.00 0.00 H new ATOM 83 N LYS A 9 -1.814 18.015 -6.687 1.00 0.00 N ATOM 84 CA LYS A 9 -2.129 16.861 -5.853 1.00 0.00 C ATOM 85 C LYS A 9 -3.427 16.201 -6.307 1.00 0.00 C ATOM 86 O LYS A 9 -4.381 16.880 -6.686 1.00 0.00 O ATOM 87 CB LYS A 9 -2.243 17.282 -4.386 1.00 0.00 C ATOM 88 CG LYS A 9 -3.365 18.271 -4.123 1.00 0.00 C ATOM 89 CD LYS A 9 -3.834 18.211 -2.679 1.00 0.00 C ATOM 90 CE LYS A 9 -2.911 18.998 -1.760 1.00 0.00 C ATOM 91 NZ LYS A 9 -3.524 19.227 -0.422 1.00 0.00 N ATOM 0 H LYS A 9 -2.629 18.481 -7.087 1.00 0.00 H new ATOM 0 HA LYS A 9 -1.320 16.138 -5.954 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -2.401 16.395 -3.773 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -1.298 17.724 -4.069 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -3.023 19.280 -4.354 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -4.202 18.058 -4.788 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -4.846 18.609 -2.607 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -3.876 17.172 -2.352 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -1.971 18.459 -1.641 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -2.673 19.957 -2.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -2.864 19.766 0.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -4.408 19.763 -0.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -3.728 18.312 0.028 1.00 0.00 H new ATOM 105 N GLY A 10 -3.457 14.872 -6.263 1.00 0.00 N ATOM 106 CA GLY A 10 -4.644 14.143 -6.670 1.00 0.00 C ATOM 107 C GLY A 10 -4.846 12.871 -5.871 1.00 0.00 C ATOM 108 O GLY A 10 -5.088 11.806 -6.438 1.00 0.00 O ATOM 0 H GLY A 10 -2.681 14.288 -5.953 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -5.518 14.784 -6.554 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -4.569 13.895 -7.729 1.00 0.00 H new ATOM 112 N TRP A 11 -4.746 12.982 -4.551 1.00 0.00 N ATOM 113 CA TRP A 11 -4.918 11.830 -3.673 1.00 0.00 C ATOM 114 C TRP A 11 -5.956 12.119 -2.594 1.00 0.00 C ATOM 115 O TRP A 11 -5.715 12.912 -1.683 1.00 0.00 O ATOM 116 CB TRP A 11 -3.584 11.452 -3.027 1.00 0.00 C ATOM 117 CG TRP A 11 -3.677 10.255 -2.129 1.00 0.00 C ATOM 118 CD1 TRP A 11 -4.006 10.249 -0.804 1.00 0.00 C ATOM 119 CD2 TRP A 11 -3.436 8.891 -2.492 1.00 0.00 C ATOM 120 NE1 TRP A 11 -3.984 8.963 -0.320 1.00 0.00 N ATOM 121 CE2 TRP A 11 -3.639 8.111 -1.336 1.00 0.00 C ATOM 122 CE3 TRP A 11 -3.072 8.253 -3.680 1.00 0.00 C ATOM 123 CZ2 TRP A 11 -3.487 6.727 -1.337 1.00 0.00 C ATOM 124 CZ3 TRP A 11 -2.922 6.879 -3.679 1.00 0.00 C ATOM 125 CH2 TRP A 11 -3.129 6.128 -2.514 1.00 0.00 C ATOM 0 H TRP A 11 -4.547 13.857 -4.066 1.00 0.00 H new ATOM 0 HA TRP A 11 -5.271 10.994 -4.276 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -2.852 11.254 -3.810 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -3.213 12.301 -2.452 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -4.248 11.126 -0.222 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -4.191 8.687 0.640 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -2.911 8.823 -4.583 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -3.646 6.147 -0.440 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -2.640 6.375 -4.592 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -3.004 5.056 -2.546 1.00 0.00 H new ATOM 136 N PHE A 12 -7.111 11.471 -2.701 1.00 0.00 N ATOM 137 CA PHE A 12 -8.186 11.659 -1.734 1.00 0.00 C ATOM 138 C PHE A 12 -8.443 10.376 -0.950 1.00 0.00 C ATOM 139 O PHE A 12 -8.731 9.320 -1.514 1.00 0.00 O ATOM 140 CB PHE A 12 -9.468 12.101 -2.444 1.00 0.00 C ATOM 141 CG PHE A 12 -10.494 12.687 -1.517 1.00 0.00 C ATOM 142 CD1 PHE A 12 -10.461 14.032 -1.186 1.00 0.00 C ATOM 143 CD2 PHE A 12 -11.493 11.892 -0.978 1.00 0.00 C ATOM 144 CE1 PHE A 12 -11.404 14.574 -0.334 1.00 0.00 C ATOM 145 CE2 PHE A 12 -12.440 12.429 -0.126 1.00 0.00 C ATOM 146 CZ PHE A 12 -12.394 13.771 0.198 1.00 0.00 C ATOM 0 H PHE A 12 -7.327 10.811 -3.448 1.00 0.00 H new ATOM 0 HA PHE A 12 -7.879 12.436 -1.034 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -9.216 12.838 -3.207 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -9.902 11.244 -2.959 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -9.689 14.664 -1.599 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -11.532 10.842 -1.226 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -11.367 15.624 -0.084 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -13.215 11.800 0.286 1.00 0.00 H new ATOM 0 HZ PHE A 12 -13.131 14.192 0.866 1.00 0.00 H new ATOM 156 N PRO A 13 -8.334 10.467 0.384 1.00 0.00 N ATOM 157 CA PRO A 13 -8.550 9.323 1.276 1.00 0.00 C ATOM 158 C PRO A 13 -10.013 8.895 1.326 1.00 0.00 C ATOM 159 O PRO A 13 -10.887 9.574 0.786 1.00 0.00 O ATOM 160 CB PRO A 13 -8.100 9.849 2.641 1.00 0.00 C ATOM 161 CG PRO A 13 -8.274 11.326 2.556 1.00 0.00 C ATOM 162 CD PRO A 13 -7.993 11.693 1.125 1.00 0.00 C ATOM 0 HA PRO A 13 -8.007 8.438 0.944 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -8.701 9.426 3.446 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -7.062 9.584 2.845 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -9.285 11.617 2.843 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -7.590 11.839 3.232 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -8.598 12.540 0.801 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -6.950 11.973 0.980 1.00 0.00 H new ATOM 170 N ALA A 14 -10.272 7.766 1.977 1.00 0.00 N ATOM 171 CA ALA A 14 -11.630 7.250 2.099 1.00 0.00 C ATOM 172 C ALA A 14 -12.126 7.345 3.538 1.00 0.00 C ATOM 173 O ALA A 14 -12.801 6.442 4.033 1.00 0.00 O ATOM 174 CB ALA A 14 -11.693 5.810 1.611 1.00 0.00 C ATOM 0 H ALA A 14 -9.560 7.191 2.428 1.00 0.00 H new ATOM 0 HA ALA A 14 -12.282 7.862 1.476 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -12.713 5.437 1.708 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -11.388 5.767 0.565 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -11.023 5.193 2.210 1.00 0.00 H new ATOM 180 N SER A 15 -11.786 8.443 4.205 1.00 0.00 N ATOM 181 CA SER A 15 -12.194 8.653 5.590 1.00 0.00 C ATOM 182 C SER A 15 -13.585 9.275 5.658 1.00 0.00 C ATOM 183 O SER A 15 -13.917 10.170 4.880 1.00 0.00 O ATOM 184 CB SER A 15 -11.185 9.551 6.309 1.00 0.00 C ATOM 185 OG SER A 15 -10.960 10.748 5.584 1.00 0.00 O ATOM 0 H SER A 15 -11.229 9.201 3.810 1.00 0.00 H new ATOM 0 HA SER A 15 -12.225 7.683 6.086 1.00 0.00 H new ATOM 0 HB2 SER A 15 -11.553 9.790 7.307 1.00 0.00 H new ATOM 0 HB3 SER A 15 -10.244 9.017 6.436 1.00 0.00 H new ATOM 0 HG SER A 15 -10.313 11.305 6.065 1.00 0.00 H new ATOM 191 N HIS A 16 -14.396 8.794 6.595 1.00 0.00 N ATOM 192 CA HIS A 16 -15.752 9.303 6.767 1.00 0.00 C ATOM 193 C HIS A 16 -15.768 10.502 7.709 1.00 0.00 C ATOM 194 O HIS A 16 -14.828 10.714 8.476 1.00 0.00 O ATOM 195 CB HIS A 16 -16.667 8.203 7.307 1.00 0.00 C ATOM 196 CG HIS A 16 -18.125 8.485 7.108 1.00 0.00 C ATOM 197 ND1 HIS A 16 -18.690 8.686 5.866 1.00 0.00 N ATOM 198 CD2 HIS A 16 -19.135 8.598 8.002 1.00 0.00 C ATOM 199 CE1 HIS A 16 -19.984 8.912 6.005 1.00 0.00 C ATOM 200 NE2 HIS A 16 -20.280 8.863 7.292 1.00 0.00 N ATOM 0 H HIS A 16 -14.138 8.053 7.246 1.00 0.00 H new ATOM 0 HA HIS A 16 -16.119 9.625 5.792 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -16.417 7.261 6.818 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -16.473 8.070 8.371 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -19.055 8.498 9.074 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -20.682 9.104 5.203 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -21.208 9.000 7.693 1.00 0.00 H new ATOM 209 N VAL A 17 -16.841 11.285 7.646 1.00 0.00 N ATOM 210 CA VAL A 17 -16.978 12.463 8.494 1.00 0.00 C ATOM 211 C VAL A 17 -18.230 12.373 9.360 1.00 0.00 C ATOM 212 O VAL A 17 -19.310 12.806 8.957 1.00 0.00 O ATOM 213 CB VAL A 17 -17.039 13.754 7.656 1.00 0.00 C ATOM 214 CG1 VAL A 17 -15.713 13.995 6.951 1.00 0.00 C ATOM 215 CG2 VAL A 17 -18.180 13.684 6.653 1.00 0.00 C ATOM 0 H VAL A 17 -17.627 11.125 7.017 1.00 0.00 H new ATOM 0 HA VAL A 17 -16.097 12.496 9.135 1.00 0.00 H new ATOM 0 HB VAL A 17 -17.225 14.593 8.326 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -15.774 14.911 6.364 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -14.919 14.091 7.692 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -15.494 13.155 6.291 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -18.208 14.604 6.069 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -18.026 12.836 5.986 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -19.124 13.562 7.184 1.00 0.00 H new ATOM 225 N LYS A 18 -18.078 11.809 10.553 1.00 0.00 N ATOM 226 CA LYS A 18 -19.195 11.663 11.479 1.00 0.00 C ATOM 227 C LYS A 18 -19.024 12.581 12.686 1.00 0.00 C ATOM 228 O LYS A 18 -19.188 12.156 13.830 1.00 0.00 O ATOM 229 CB LYS A 18 -19.313 10.210 11.943 1.00 0.00 C ATOM 230 CG LYS A 18 -18.130 9.737 12.770 1.00 0.00 C ATOM 231 CD LYS A 18 -17.026 9.172 11.892 1.00 0.00 C ATOM 232 CE LYS A 18 -16.234 8.095 12.616 1.00 0.00 C ATOM 233 NZ LYS A 18 -15.784 8.547 13.962 1.00 0.00 N ATOM 0 H LYS A 18 -17.191 11.445 10.902 1.00 0.00 H new ATOM 0 HA LYS A 18 -20.108 11.946 10.955 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -20.224 10.098 12.531 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -19.416 9.566 11.070 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -17.740 10.568 13.357 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -18.460 8.975 13.476 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -17.460 8.756 10.982 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -16.355 9.975 11.587 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -16.848 7.201 12.720 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -15.366 7.818 12.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -15.097 7.866 14.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -15.337 9.482 13.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -16.603 8.608 14.600 1.00 0.00 H new ATOM 247 N LEU A 19 -18.697 13.841 12.423 1.00 0.00 N ATOM 248 CA LEU A 19 -18.506 14.820 13.488 1.00 0.00 C ATOM 249 C LEU A 19 -19.706 15.756 13.589 1.00 0.00 C ATOM 250 O LEU A 19 -20.403 15.998 12.602 1.00 0.00 O ATOM 251 CB LEU A 19 -17.232 15.630 13.240 1.00 0.00 C ATOM 252 CG LEU A 19 -16.711 15.639 11.803 1.00 0.00 C ATOM 253 CD1 LEU A 19 -16.306 14.238 11.373 1.00 0.00 C ATOM 254 CD2 LEU A 19 -17.761 16.206 10.858 1.00 0.00 C ATOM 0 H LEU A 19 -18.559 14.209 11.482 1.00 0.00 H new ATOM 0 HA LEU A 19 -18.409 14.281 14.430 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -17.415 16.660 13.545 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -16.446 15.241 13.888 1.00 0.00 H new ATOM 0 HG LEU A 19 -15.830 16.279 11.761 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -15.938 14.264 10.347 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -15.520 13.868 12.031 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -17.170 13.576 11.431 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -17.373 16.205 9.840 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -18.661 15.593 10.904 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -18.002 17.227 11.153 1.00 0.00 H new ATOM 266 N LEU A 20 -19.941 16.281 14.786 1.00 0.00 N ATOM 267 CA LEU A 20 -21.056 17.193 15.016 1.00 0.00 C ATOM 268 C LEU A 20 -20.556 18.611 15.274 1.00 0.00 C ATOM 269 O LEU A 20 -21.117 19.339 16.091 1.00 0.00 O ATOM 270 CB LEU A 20 -21.897 16.714 16.200 1.00 0.00 C ATOM 271 CG LEU A 20 -22.571 15.351 16.037 1.00 0.00 C ATOM 272 CD1 LEU A 20 -22.733 14.670 17.387 1.00 0.00 C ATOM 273 CD2 LEU A 20 -23.920 15.502 15.349 1.00 0.00 C ATOM 0 H LEU A 20 -19.374 16.091 15.613 1.00 0.00 H new ATOM 0 HA LEU A 20 -21.675 17.203 14.119 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -21.258 16.678 17.083 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -22.669 17.458 16.396 1.00 0.00 H new ATOM 0 HG LEU A 20 -21.934 14.725 15.412 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -23.214 13.702 17.251 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -21.753 14.527 17.842 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -23.348 15.292 18.037 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -24.385 14.522 15.241 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -24.564 16.146 15.948 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -23.778 15.947 14.364 1.00 0.00 H new ATOM 285 N GLY A 21 -19.497 18.997 14.568 1.00 0.00 N ATOM 286 CA GLY A 21 -18.941 20.327 14.733 1.00 0.00 C ATOM 287 C GLY A 21 -17.671 20.528 13.929 1.00 0.00 C ATOM 288 O GLY A 21 -17.221 19.638 13.206 1.00 0.00 O ATOM 0 H GLY A 21 -19.015 18.412 13.885 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -19.681 21.067 14.429 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -18.731 20.501 15.788 1.00 0.00 H new ATOM 292 N PRO A 22 -17.073 21.722 14.049 1.00 0.00 N ATOM 293 CA PRO A 22 -15.841 22.066 13.334 1.00 0.00 C ATOM 294 C PRO A 22 -14.632 21.299 13.860 1.00 0.00 C ATOM 295 O PRO A 22 -13.507 21.510 13.409 1.00 0.00 O ATOM 296 CB PRO A 22 -15.681 23.564 13.602 1.00 0.00 C ATOM 297 CG PRO A 22 -16.405 23.800 14.882 1.00 0.00 C ATOM 298 CD PRO A 22 -17.554 22.830 14.892 1.00 0.00 C ATOM 0 HA PRO A 22 -15.900 21.813 12.276 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -14.630 23.841 13.685 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -16.105 24.158 12.792 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -15.749 23.637 15.737 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -16.762 24.828 14.945 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -17.787 22.494 15.902 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -18.462 23.278 14.487 1.00 0.00 H new ATOM 306 N SER A 23 -14.873 20.408 14.816 1.00 0.00 N ATOM 307 CA SER A 23 -13.804 19.611 15.406 1.00 0.00 C ATOM 308 C SER A 23 -14.044 18.122 15.174 1.00 0.00 C ATOM 309 O SER A 23 -15.186 17.662 15.153 1.00 0.00 O ATOM 310 CB SER A 23 -13.696 19.894 16.905 1.00 0.00 C ATOM 311 OG SER A 23 -12.963 21.083 17.148 1.00 0.00 O ATOM 0 H SER A 23 -15.800 20.220 15.199 1.00 0.00 H new ATOM 0 HA SER A 23 -12.868 19.890 14.922 1.00 0.00 H new ATOM 0 HB2 SER A 23 -14.694 19.984 17.334 1.00 0.00 H new ATOM 0 HB3 SER A 23 -13.210 19.055 17.403 1.00 0.00 H new ATOM 0 HG SER A 23 -12.910 21.243 18.113 1.00 0.00 H new ATOM 317 N SER A 24 -12.959 17.374 15.001 1.00 0.00 N ATOM 318 CA SER A 24 -13.051 15.938 14.766 1.00 0.00 C ATOM 319 C SER A 24 -11.685 15.274 14.920 1.00 0.00 C ATOM 320 O SER A 24 -10.786 15.485 14.107 1.00 0.00 O ATOM 321 CB SER A 24 -13.610 15.662 13.369 1.00 0.00 C ATOM 322 OG SER A 24 -13.562 14.279 13.065 1.00 0.00 O ATOM 0 H SER A 24 -12.007 17.738 15.019 1.00 0.00 H new ATOM 0 HA SER A 24 -13.727 15.516 15.509 1.00 0.00 H new ATOM 0 HB2 SER A 24 -14.639 16.015 13.309 1.00 0.00 H new ATOM 0 HB3 SER A 24 -13.038 16.221 12.628 1.00 0.00 H new ATOM 0 HG SER A 24 -13.296 14.159 12.129 1.00 0.00 H new ATOM 328 N GLU A 25 -11.539 14.472 15.970 1.00 0.00 N ATOM 329 CA GLU A 25 -10.284 13.779 16.232 1.00 0.00 C ATOM 330 C GLU A 25 -10.478 12.266 16.185 1.00 0.00 C ATOM 331 O GLU A 25 -11.188 11.694 17.012 1.00 0.00 O ATOM 332 CB GLU A 25 -9.722 14.190 17.595 1.00 0.00 C ATOM 333 CG GLU A 25 -8.875 15.450 17.549 1.00 0.00 C ATOM 334 CD GLU A 25 -7.659 15.303 16.654 1.00 0.00 C ATOM 335 OE1 GLU A 25 -6.627 14.791 17.136 1.00 0.00 O ATOM 336 OE2 GLU A 25 -7.740 15.701 15.473 1.00 0.00 O ATOM 0 H GLU A 25 -12.274 14.286 16.652 1.00 0.00 H new ATOM 0 HA GLU A 25 -9.574 14.062 15.455 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -10.549 14.343 18.288 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -9.121 13.372 17.992 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -9.485 16.281 17.194 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -8.550 15.702 18.558 1.00 0.00 H new ATOM 343 N ARG A 26 -9.842 11.623 15.211 1.00 0.00 N ATOM 344 CA ARG A 26 -9.945 10.178 15.054 1.00 0.00 C ATOM 345 C ARG A 26 -8.726 9.478 15.648 1.00 0.00 C ATOM 346 O ARG A 26 -7.613 9.615 15.143 1.00 0.00 O ATOM 347 CB ARG A 26 -10.087 9.813 13.575 1.00 0.00 C ATOM 348 CG ARG A 26 -11.341 10.375 12.926 1.00 0.00 C ATOM 349 CD ARG A 26 -11.148 10.586 11.432 1.00 0.00 C ATOM 350 NE ARG A 26 -12.088 11.564 10.892 1.00 0.00 N ATOM 351 CZ ARG A 26 -11.905 12.201 9.740 1.00 0.00 C ATOM 352 NH1 ARG A 26 -10.823 11.964 9.013 1.00 0.00 N ATOM 353 NH2 ARG A 26 -12.806 13.077 9.315 1.00 0.00 N ATOM 0 H ARG A 26 -9.250 12.081 14.518 1.00 0.00 H new ATOM 0 HA ARG A 26 -10.832 9.842 15.591 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -9.214 10.178 13.034 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -10.093 8.727 13.476 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -12.175 9.694 13.094 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -11.603 11.322 13.398 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -10.128 10.920 11.242 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -11.274 9.636 10.912 1.00 0.00 H new ATOM 0 HE ARG A 26 -12.931 11.770 11.428 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -10.128 11.291 9.337 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -10.685 12.454 8.129 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -13.640 13.262 9.872 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -12.665 13.566 8.431 1.00 0.00 H new ATOM 367 N ALA A 27 -8.946 8.727 16.722 1.00 0.00 N ATOM 368 CA ALA A 27 -7.867 8.004 17.383 1.00 0.00 C ATOM 369 C ALA A 27 -8.283 6.574 17.709 1.00 0.00 C ATOM 370 O ALA A 27 -7.797 5.978 18.671 1.00 0.00 O ATOM 371 CB ALA A 27 -7.442 8.734 18.649 1.00 0.00 C ATOM 0 H ALA A 27 -9.862 8.604 17.153 1.00 0.00 H new ATOM 0 HA ALA A 27 -7.019 7.960 16.699 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -6.635 8.183 19.133 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -7.095 9.735 18.393 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -8.291 8.807 19.329 1.00 0.00 H new ATOM 377 N THR A 28 -9.186 6.026 16.901 1.00 0.00 N ATOM 378 CA THR A 28 -9.668 4.666 17.105 1.00 0.00 C ATOM 379 C THR A 28 -9.053 3.707 16.092 1.00 0.00 C ATOM 380 O THR A 28 -9.113 3.923 14.881 1.00 0.00 O ATOM 381 CB THR A 28 -11.203 4.593 16.998 1.00 0.00 C ATOM 382 OG1 THR A 28 -11.638 5.185 15.769 1.00 0.00 O ATOM 383 CG2 THR A 28 -11.862 5.304 18.170 1.00 0.00 C ATOM 0 H THR A 28 -9.598 6.504 16.099 1.00 0.00 H new ATOM 0 HA THR A 28 -9.366 4.371 18.110 1.00 0.00 H new ATOM 0 HB THR A 28 -11.496 3.543 17.019 1.00 0.00 H new ATOM 0 HG1 THR A 28 -11.003 4.964 15.056 1.00 0.00 H new ATOM 0 HG21 THR A 28 -12.946 5.239 18.072 1.00 0.00 H new ATOM 0 HG22 THR A 28 -11.553 4.832 19.102 1.00 0.00 H new ATOM 0 HG23 THR A 28 -11.560 6.351 18.176 1.00 0.00 H new ATOM 391 N PRO A 29 -8.448 2.622 16.595 1.00 0.00 N ATOM 392 CA PRO A 29 -7.811 1.607 15.750 1.00 0.00 C ATOM 393 C PRO A 29 -8.827 0.793 14.957 1.00 0.00 C ATOM 394 O PRO A 29 -8.462 -0.113 14.208 1.00 0.00 O ATOM 395 CB PRO A 29 -7.081 0.715 16.757 1.00 0.00 C ATOM 396 CG PRO A 29 -7.835 0.884 18.030 1.00 0.00 C ATOM 397 CD PRO A 29 -8.339 2.301 18.028 1.00 0.00 C ATOM 0 HA PRO A 29 -7.156 2.052 15.001 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -7.078 -0.326 16.434 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -6.040 1.017 16.871 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -8.661 0.176 18.091 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -7.193 0.699 18.891 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -9.301 2.386 18.533 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -7.650 2.973 18.539 1.00 0.00 H new ATOM 405 N ALA A 30 -10.104 1.122 15.125 1.00 0.00 N ATOM 406 CA ALA A 30 -11.172 0.423 14.422 1.00 0.00 C ATOM 407 C ALA A 30 -11.113 0.695 12.923 1.00 0.00 C ATOM 408 O ALA A 30 -11.945 1.423 12.381 1.00 0.00 O ATOM 409 CB ALA A 30 -12.527 0.830 14.982 1.00 0.00 C ATOM 0 H ALA A 30 -10.424 1.869 15.742 1.00 0.00 H new ATOM 0 HA ALA A 30 -11.035 -0.647 14.575 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -13.316 0.300 14.448 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -12.574 0.577 16.041 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -12.664 1.904 14.859 1.00 0.00 H new ATOM 415 N PHE A 31 -10.125 0.107 12.258 1.00 0.00 N ATOM 416 CA PHE A 31 -9.956 0.287 10.821 1.00 0.00 C ATOM 417 C PHE A 31 -10.060 -1.047 10.089 1.00 0.00 C ATOM 418 O PHE A 31 -9.735 -2.099 10.643 1.00 0.00 O ATOM 419 CB PHE A 31 -8.606 0.942 10.523 1.00 0.00 C ATOM 420 CG PHE A 31 -7.429 0.088 10.898 1.00 0.00 C ATOM 421 CD1 PHE A 31 -6.947 -0.874 10.024 1.00 0.00 C ATOM 422 CD2 PHE A 31 -6.805 0.245 12.125 1.00 0.00 C ATOM 423 CE1 PHE A 31 -5.865 -1.662 10.367 1.00 0.00 C ATOM 424 CE2 PHE A 31 -5.722 -0.539 12.473 1.00 0.00 C ATOM 425 CZ PHE A 31 -5.252 -1.495 11.593 1.00 0.00 C ATOM 0 H PHE A 31 -9.428 -0.499 12.692 1.00 0.00 H new ATOM 0 HA PHE A 31 -10.754 0.939 10.466 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -8.551 1.175 9.460 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -8.544 1.888 11.060 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -7.423 -1.009 9.064 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -7.170 0.989 12.818 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -5.499 -2.408 9.677 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -5.243 -0.405 13.432 1.00 0.00 H new ATOM 0 HZ PHE A 31 -4.407 -2.110 11.864 1.00 0.00 H new ATOM 435 N HIS A 32 -10.514 -0.997 8.841 1.00 0.00 N ATOM 436 CA HIS A 32 -10.661 -2.202 8.032 1.00 0.00 C ATOM 437 C HIS A 32 -10.026 -2.014 6.657 1.00 0.00 C ATOM 438 O HIS A 32 -10.574 -1.347 5.780 1.00 0.00 O ATOM 439 CB HIS A 32 -12.139 -2.563 7.879 1.00 0.00 C ATOM 440 CG HIS A 32 -12.993 -1.414 7.441 1.00 0.00 C ATOM 441 ND1 HIS A 32 -13.600 -1.355 6.204 1.00 0.00 N ATOM 442 CD2 HIS A 32 -13.343 -0.275 8.084 1.00 0.00 C ATOM 443 CE1 HIS A 32 -14.285 -0.230 6.105 1.00 0.00 C ATOM 444 NE2 HIS A 32 -14.145 0.444 7.233 1.00 0.00 N ATOM 0 H HIS A 32 -10.786 -0.135 8.368 1.00 0.00 H new ATOM 0 HA HIS A 32 -10.147 -3.017 8.542 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -12.234 -3.372 7.155 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -12.513 -2.941 8.831 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -13.046 0.014 9.081 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -14.861 0.085 5.248 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -14.565 1.351 7.438 1.00 0.00 H new ATOM 453 N PRO A 33 -8.842 -2.615 6.464 1.00 0.00 N ATOM 454 CA PRO A 33 -8.108 -2.528 5.198 1.00 0.00 C ATOM 455 C PRO A 33 -8.793 -3.299 4.076 1.00 0.00 C ATOM 456 O PRO A 33 -9.773 -4.009 4.304 1.00 0.00 O ATOM 457 CB PRO A 33 -6.753 -3.158 5.530 1.00 0.00 C ATOM 458 CG PRO A 33 -7.031 -4.075 6.671 1.00 0.00 C ATOM 459 CD PRO A 33 -8.131 -3.426 7.466 1.00 0.00 C ATOM 0 HA PRO A 33 -8.040 -1.502 4.836 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -6.349 -3.701 4.675 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -6.019 -2.399 5.802 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -7.335 -5.059 6.315 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -6.140 -4.218 7.282 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -8.787 -4.167 7.923 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -7.734 -2.810 8.273 1.00 0.00 H new ATOM 467 N VAL A 34 -8.272 -3.156 2.861 1.00 0.00 N ATOM 468 CA VAL A 34 -8.833 -3.841 1.703 1.00 0.00 C ATOM 469 C VAL A 34 -8.178 -5.202 1.499 1.00 0.00 C ATOM 470 O VAL A 34 -8.823 -6.152 1.053 1.00 0.00 O ATOM 471 CB VAL A 34 -8.664 -3.005 0.420 1.00 0.00 C ATOM 472 CG1 VAL A 34 -9.426 -1.693 0.534 1.00 0.00 C ATOM 473 CG2 VAL A 34 -7.191 -2.753 0.139 1.00 0.00 C ATOM 0 H VAL A 34 -7.462 -2.572 2.654 1.00 0.00 H new ATOM 0 HA VAL A 34 -9.896 -3.979 1.901 1.00 0.00 H new ATOM 0 HB VAL A 34 -9.079 -3.567 -0.417 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -9.295 -1.116 -0.381 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -10.486 -1.900 0.684 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -9.044 -1.123 1.381 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -7.090 -2.161 -0.771 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -6.749 -2.211 0.975 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -6.677 -3.706 0.011 1.00 0.00 H new ATOM 483 N CYS A 35 -6.894 -5.290 1.828 1.00 0.00 N ATOM 484 CA CYS A 35 -6.150 -6.536 1.681 1.00 0.00 C ATOM 485 C CYS A 35 -4.741 -6.398 2.247 1.00 0.00 C ATOM 486 O CYS A 35 -4.285 -5.293 2.539 1.00 0.00 O ATOM 487 CB CYS A 35 -6.084 -6.944 0.208 1.00 0.00 C ATOM 488 SG CYS A 35 -5.113 -5.822 -0.825 1.00 0.00 S ATOM 0 H CYS A 35 -6.346 -4.513 2.198 1.00 0.00 H new ATOM 0 HA CYS A 35 -6.673 -7.311 2.242 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -5.659 -7.945 0.138 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -7.098 -7.000 -0.188 1.00 0.00 H new ATOM 0 HG CYS A 35 -5.383 -6.043 -2.077 1.00 0.00 H new ATOM 494 N GLN A 36 -4.058 -7.528 2.401 1.00 0.00 N ATOM 495 CA GLN A 36 -2.701 -7.532 2.935 1.00 0.00 C ATOM 496 C GLN A 36 -1.685 -7.827 1.836 1.00 0.00 C ATOM 497 O GLN A 36 -1.771 -8.848 1.154 1.00 0.00 O ATOM 498 CB GLN A 36 -2.574 -8.567 4.054 1.00 0.00 C ATOM 499 CG GLN A 36 -1.341 -8.376 4.923 1.00 0.00 C ATOM 500 CD GLN A 36 -0.901 -9.658 5.602 1.00 0.00 C ATOM 501 OE1 GLN A 36 -0.957 -10.737 5.012 1.00 0.00 O ATOM 502 NE2 GLN A 36 -0.459 -9.546 6.849 1.00 0.00 N ATOM 0 H GLN A 36 -4.421 -8.451 2.164 1.00 0.00 H new ATOM 0 HA GLN A 36 -2.494 -6.542 3.340 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -3.463 -8.520 4.683 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -2.547 -9.564 3.614 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -0.524 -7.996 4.310 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -1.549 -7.621 5.681 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -0.430 -8.631 7.300 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -0.149 -10.375 7.356 1.00 0.00 H new ATOM 511 N VAL A 37 -0.721 -6.926 1.671 1.00 0.00 N ATOM 512 CA VAL A 37 0.312 -7.090 0.656 1.00 0.00 C ATOM 513 C VAL A 37 1.692 -7.214 1.291 1.00 0.00 C ATOM 514 O VAL A 37 1.849 -7.034 2.500 1.00 0.00 O ATOM 515 CB VAL A 37 0.319 -5.909 -0.333 1.00 0.00 C ATOM 516 CG1 VAL A 37 -1.039 -5.765 -1.003 1.00 0.00 C ATOM 517 CG2 VAL A 37 0.712 -4.622 0.376 1.00 0.00 C ATOM 0 H VAL A 37 -0.635 -6.075 2.227 1.00 0.00 H new ATOM 0 HA VAL A 37 0.081 -8.007 0.114 1.00 0.00 H new ATOM 0 HB VAL A 37 1.060 -6.111 -1.107 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -1.015 -4.926 -1.698 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -1.275 -6.680 -1.547 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -1.802 -5.586 -0.245 1.00 0.00 H new ATOM 0 HG21 VAL A 37 0.712 -3.798 -0.338 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -0.002 -4.412 1.172 1.00 0.00 H new ATOM 0 HG23 VAL A 37 1.709 -4.732 0.803 1.00 0.00 H new ATOM 527 N ILE A 38 2.690 -7.522 0.470 1.00 0.00 N ATOM 528 CA ILE A 38 4.058 -7.669 0.952 1.00 0.00 C ATOM 529 C ILE A 38 5.024 -6.823 0.131 1.00 0.00 C ATOM 530 O ILE A 38 4.898 -6.727 -1.090 1.00 0.00 O ATOM 531 CB ILE A 38 4.516 -9.139 0.909 1.00 0.00 C ATOM 532 CG1 ILE A 38 5.567 -9.401 1.989 1.00 0.00 C ATOM 533 CG2 ILE A 38 5.066 -9.482 -0.468 1.00 0.00 C ATOM 534 CD1 ILE A 38 5.551 -10.818 2.517 1.00 0.00 C ATOM 0 H ILE A 38 2.577 -7.675 -0.532 1.00 0.00 H new ATOM 0 HA ILE A 38 4.066 -7.325 1.986 1.00 0.00 H new ATOM 0 HB ILE A 38 3.655 -9.778 1.105 1.00 0.00 H new ATOM 0 HG12 ILE A 38 6.555 -9.184 1.583 1.00 0.00 H new ATOM 0 HG13 ILE A 38 5.405 -8.711 2.817 1.00 0.00 H new ATOM 0 HG21 ILE A 38 5.386 -10.524 -0.483 1.00 0.00 H new ATOM 0 HG22 ILE A 38 4.290 -9.330 -1.218 1.00 0.00 H new ATOM 0 HG23 ILE A 38 5.917 -8.838 -0.691 1.00 0.00 H new ATOM 0 HD11 ILE A 38 6.322 -10.931 3.279 1.00 0.00 H new ATOM 0 HD12 ILE A 38 4.575 -11.033 2.953 1.00 0.00 H new ATOM 0 HD13 ILE A 38 5.744 -11.513 1.700 1.00 0.00 H new ATOM 546 N ALA A 39 5.991 -6.212 0.808 1.00 0.00 N ATOM 547 CA ALA A 39 6.982 -5.377 0.141 1.00 0.00 C ATOM 548 C ALA A 39 7.924 -6.219 -0.712 1.00 0.00 C ATOM 549 O ALA A 39 8.566 -7.144 -0.216 1.00 0.00 O ATOM 550 CB ALA A 39 7.769 -4.572 1.164 1.00 0.00 C ATOM 0 H ALA A 39 6.109 -6.280 1.819 1.00 0.00 H new ATOM 0 HA ALA A 39 6.455 -4.688 -0.519 1.00 0.00 H new ATOM 0 HB1 ALA A 39 8.505 -3.953 0.651 1.00 0.00 H new ATOM 0 HB2 ALA A 39 7.088 -3.934 1.727 1.00 0.00 H new ATOM 0 HB3 ALA A 39 8.279 -5.251 1.847 1.00 0.00 H new ATOM 556 N MET A 40 8.002 -5.892 -1.998 1.00 0.00 N ATOM 557 CA MET A 40 8.867 -6.619 -2.920 1.00 0.00 C ATOM 558 C MET A 40 10.316 -6.159 -2.783 1.00 0.00 C ATOM 559 O MET A 40 11.246 -6.942 -2.975 1.00 0.00 O ATOM 560 CB MET A 40 8.392 -6.423 -4.361 1.00 0.00 C ATOM 561 CG MET A 40 7.024 -7.026 -4.637 1.00 0.00 C ATOM 562 SD MET A 40 6.785 -7.439 -6.375 1.00 0.00 S ATOM 563 CE MET A 40 7.176 -5.874 -7.153 1.00 0.00 C ATOM 0 H MET A 40 7.477 -5.129 -2.425 1.00 0.00 H new ATOM 0 HA MET A 40 8.815 -7.678 -2.669 1.00 0.00 H new ATOM 0 HB2 MET A 40 8.361 -5.356 -4.583 1.00 0.00 H new ATOM 0 HB3 MET A 40 9.120 -6.869 -5.039 1.00 0.00 H new ATOM 0 HG2 MET A 40 6.899 -7.925 -4.033 1.00 0.00 H new ATOM 0 HG3 MET A 40 6.252 -6.323 -4.325 1.00 0.00 H new ATOM 0 HE1 MET A 40 6.299 -5.502 -7.683 1.00 0.00 H new ATOM 0 HE2 MET A 40 7.472 -5.153 -6.391 1.00 0.00 H new ATOM 0 HE3 MET A 40 7.995 -6.013 -7.859 1.00 0.00 H new ATOM 573 N TYR A 41 10.499 -4.886 -2.450 1.00 0.00 N ATOM 574 CA TYR A 41 11.834 -4.322 -2.291 1.00 0.00 C ATOM 575 C TYR A 41 11.895 -3.404 -1.074 1.00 0.00 C ATOM 576 O TYR A 41 10.878 -2.864 -0.638 1.00 0.00 O ATOM 577 CB TYR A 41 12.237 -3.550 -3.548 1.00 0.00 C ATOM 578 CG TYR A 41 11.689 -4.144 -4.825 1.00 0.00 C ATOM 579 CD1 TYR A 41 12.351 -5.179 -5.474 1.00 0.00 C ATOM 580 CD2 TYR A 41 10.509 -3.670 -5.384 1.00 0.00 C ATOM 581 CE1 TYR A 41 11.854 -5.724 -6.642 1.00 0.00 C ATOM 582 CE2 TYR A 41 10.003 -4.209 -6.551 1.00 0.00 C ATOM 583 CZ TYR A 41 10.680 -5.236 -7.176 1.00 0.00 C ATOM 584 OH TYR A 41 10.181 -5.777 -8.339 1.00 0.00 O ATOM 0 H TYR A 41 9.740 -4.225 -2.285 1.00 0.00 H new ATOM 0 HA TYR A 41 12.533 -5.144 -2.139 1.00 0.00 H new ATOM 0 HB2 TYR A 41 11.891 -2.520 -3.458 1.00 0.00 H new ATOM 0 HB3 TYR A 41 13.325 -3.516 -3.610 1.00 0.00 H new ATOM 0 HD1 TYR A 41 13.270 -5.564 -5.058 1.00 0.00 H new ATOM 0 HD2 TYR A 41 9.978 -2.866 -4.897 1.00 0.00 H new ATOM 0 HE1 TYR A 41 12.382 -6.528 -7.134 1.00 0.00 H new ATOM 0 HE2 TYR A 41 9.084 -3.829 -6.971 1.00 0.00 H new ATOM 0 HH TYR A 41 10.442 -6.720 -8.400 1.00 0.00 H new ATOM 594 N ASP A 42 13.095 -3.231 -0.531 1.00 0.00 N ATOM 595 CA ASP A 42 13.292 -2.377 0.634 1.00 0.00 C ATOM 596 C ASP A 42 13.029 -0.915 0.287 1.00 0.00 C ATOM 597 O ASP A 42 13.893 -0.232 -0.263 1.00 0.00 O ATOM 598 CB ASP A 42 14.713 -2.537 1.176 1.00 0.00 C ATOM 599 CG ASP A 42 15.149 -3.988 1.237 1.00 0.00 C ATOM 600 OD1 ASP A 42 15.241 -4.626 0.167 1.00 0.00 O ATOM 601 OD2 ASP A 42 15.401 -4.485 2.355 1.00 0.00 O ATOM 0 H ASP A 42 13.947 -3.671 -0.879 1.00 0.00 H new ATOM 0 HA ASP A 42 12.582 -2.683 1.402 1.00 0.00 H new ATOM 0 HB2 ASP A 42 15.405 -1.979 0.545 1.00 0.00 H new ATOM 0 HB3 ASP A 42 14.770 -2.101 2.174 1.00 0.00 H new ATOM 606 N TYR A 43 11.830 -0.443 0.610 1.00 0.00 N ATOM 607 CA TYR A 43 11.451 0.937 0.329 1.00 0.00 C ATOM 608 C TYR A 43 11.924 1.869 1.441 1.00 0.00 C ATOM 609 O TYR A 43 11.665 1.628 2.620 1.00 0.00 O ATOM 610 CB TYR A 43 9.935 1.049 0.166 1.00 0.00 C ATOM 611 CG TYR A 43 9.501 2.232 -0.670 1.00 0.00 C ATOM 612 CD1 TYR A 43 9.676 3.532 -0.213 1.00 0.00 C ATOM 613 CD2 TYR A 43 8.915 2.049 -1.917 1.00 0.00 C ATOM 614 CE1 TYR A 43 9.281 4.616 -0.973 1.00 0.00 C ATOM 615 CE2 TYR A 43 8.518 3.127 -2.684 1.00 0.00 C ATOM 616 CZ TYR A 43 8.703 4.408 -2.208 1.00 0.00 C ATOM 617 OH TYR A 43 8.308 5.485 -2.968 1.00 0.00 O ATOM 0 H TYR A 43 11.104 -0.995 1.066 1.00 0.00 H new ATOM 0 HA TYR A 43 11.933 1.237 -0.602 1.00 0.00 H new ATOM 0 HB2 TYR A 43 9.559 0.134 -0.292 1.00 0.00 H new ATOM 0 HB3 TYR A 43 9.477 1.124 1.152 1.00 0.00 H new ATOM 0 HD1 TYR A 43 10.129 3.698 0.753 1.00 0.00 H new ATOM 0 HD2 TYR A 43 8.768 1.047 -2.293 1.00 0.00 H new ATOM 0 HE1 TYR A 43 9.424 5.620 -0.602 1.00 0.00 H new ATOM 0 HE2 TYR A 43 8.065 2.967 -3.651 1.00 0.00 H new ATOM 0 HH TYR A 43 7.330 5.549 -2.961 1.00 0.00 H new ATOM 627 N ALA A 44 12.619 2.934 1.056 1.00 0.00 N ATOM 628 CA ALA A 44 13.127 3.904 2.018 1.00 0.00 C ATOM 629 C ALA A 44 12.502 5.277 1.795 1.00 0.00 C ATOM 630 O ALA A 44 12.909 6.017 0.899 1.00 0.00 O ATOM 631 CB ALA A 44 14.643 3.992 1.930 1.00 0.00 C ATOM 0 H ALA A 44 12.843 3.147 0.084 1.00 0.00 H new ATOM 0 HA ALA A 44 12.852 3.566 3.017 1.00 0.00 H new ATOM 0 HB1 ALA A 44 15.008 4.720 2.654 1.00 0.00 H new ATOM 0 HB2 ALA A 44 15.077 3.016 2.147 1.00 0.00 H new ATOM 0 HB3 ALA A 44 14.932 4.303 0.926 1.00 0.00 H new ATOM 637 N ALA A 45 11.510 5.611 2.614 1.00 0.00 N ATOM 638 CA ALA A 45 10.830 6.896 2.506 1.00 0.00 C ATOM 639 C ALA A 45 11.794 8.050 2.760 1.00 0.00 C ATOM 640 O ALA A 45 12.436 8.116 3.807 1.00 0.00 O ATOM 641 CB ALA A 45 9.662 6.958 3.480 1.00 0.00 C ATOM 0 H ALA A 45 11.159 5.010 3.359 1.00 0.00 H new ATOM 0 HA ALA A 45 10.448 6.993 1.490 1.00 0.00 H new ATOM 0 HB1 ALA A 45 9.163 7.923 3.389 1.00 0.00 H new ATOM 0 HB2 ALA A 45 8.955 6.161 3.251 1.00 0.00 H new ATOM 0 HB3 ALA A 45 10.031 6.835 4.498 1.00 0.00 H new ATOM 647 N ASN A 46 11.890 8.957 1.793 1.00 0.00 N ATOM 648 CA ASN A 46 12.777 10.109 1.911 1.00 0.00 C ATOM 649 C ASN A 46 12.243 11.104 2.936 1.00 0.00 C ATOM 650 O ASN A 46 12.973 11.971 3.414 1.00 0.00 O ATOM 651 CB ASN A 46 12.939 10.795 0.554 1.00 0.00 C ATOM 652 CG ASN A 46 11.835 11.797 0.277 1.00 0.00 C ATOM 653 OD1 ASN A 46 10.618 11.300 0.089 1.00 0.00 O flip ATOM 654 ND2 ASN A 46 12.074 13.004 0.232 1.00 0.00 N flip ATOM 0 H ASN A 46 11.365 8.917 0.920 1.00 0.00 H new ATOM 0 HA ASN A 46 13.750 9.753 2.249 1.00 0.00 H new ATOM 0 HB2 ASN A 46 13.903 11.302 0.519 1.00 0.00 H new ATOM 0 HB3 ASN A 46 12.947 10.041 -0.233 1.00 0.00 H new ATOM 0 HD21 ASN A 46 13.025 13.342 0.383 1.00 0.00 H new ATOM 0 HD22 ASN A 46 11.321 13.666 0.044 1.00 0.00 H new ATOM 661 N ASN A 47 10.963 10.973 3.269 1.00 0.00 N ATOM 662 CA ASN A 47 10.330 11.860 4.238 1.00 0.00 C ATOM 663 C ASN A 47 9.124 11.187 4.887 1.00 0.00 C ATOM 664 O ASN A 47 8.810 10.035 4.589 1.00 0.00 O ATOM 665 CB ASN A 47 9.897 13.163 3.561 1.00 0.00 C ATOM 666 CG ASN A 47 9.433 12.946 2.134 1.00 0.00 C ATOM 667 OD1 ASN A 47 9.770 13.717 1.235 1.00 0.00 O ATOM 668 ND2 ASN A 47 8.655 11.891 1.918 1.00 0.00 N ATOM 0 H ASN A 47 10.344 10.261 2.882 1.00 0.00 H new ATOM 0 HA ASN A 47 11.059 12.086 5.016 1.00 0.00 H new ATOM 0 HB2 ASN A 47 9.091 13.618 4.137 1.00 0.00 H new ATOM 0 HB3 ASN A 47 10.730 13.866 3.567 1.00 0.00 H new ATOM 0 HD21 ASN A 47 8.312 11.694 0.978 1.00 0.00 H new ATOM 0 HD22 ASN A 47 8.400 11.278 2.692 1.00 0.00 H new ATOM 675 N GLU A 48 8.452 11.915 5.774 1.00 0.00 N ATOM 676 CA GLU A 48 7.282 11.387 6.464 1.00 0.00 C ATOM 677 C GLU A 48 6.151 11.105 5.479 1.00 0.00 C ATOM 678 O GLU A 48 5.353 10.189 5.680 1.00 0.00 O ATOM 679 CB GLU A 48 6.807 12.371 7.535 1.00 0.00 C ATOM 680 CG GLU A 48 6.197 13.641 6.966 1.00 0.00 C ATOM 681 CD GLU A 48 5.877 14.666 8.038 1.00 0.00 C ATOM 682 OE1 GLU A 48 5.648 14.261 9.196 1.00 0.00 O ATOM 683 OE2 GLU A 48 5.855 15.872 7.716 1.00 0.00 O ATOM 0 H GLU A 48 8.698 12.871 6.031 1.00 0.00 H new ATOM 0 HA GLU A 48 7.566 10.450 6.942 1.00 0.00 H new ATOM 0 HB2 GLU A 48 6.071 11.877 8.170 1.00 0.00 H new ATOM 0 HB3 GLU A 48 7.650 12.637 8.172 1.00 0.00 H new ATOM 0 HG2 GLU A 48 6.886 14.079 6.244 1.00 0.00 H new ATOM 0 HG3 GLU A 48 5.285 13.390 6.424 1.00 0.00 H new ATOM 690 N ASP A 49 6.088 11.898 4.416 1.00 0.00 N ATOM 691 CA ASP A 49 5.056 11.734 3.399 1.00 0.00 C ATOM 692 C ASP A 49 5.036 10.303 2.870 1.00 0.00 C ATOM 693 O ASP A 49 3.979 9.773 2.530 1.00 0.00 O ATOM 694 CB ASP A 49 5.285 12.713 2.246 1.00 0.00 C ATOM 695 CG ASP A 49 4.350 12.464 1.080 1.00 0.00 C ATOM 696 OD1 ASP A 49 4.696 11.640 0.208 1.00 0.00 O ATOM 697 OD2 ASP A 49 3.272 13.093 1.039 1.00 0.00 O ATOM 0 H ASP A 49 6.740 12.662 4.236 1.00 0.00 H new ATOM 0 HA ASP A 49 4.091 11.946 3.860 1.00 0.00 H new ATOM 0 HB2 ASP A 49 5.148 13.732 2.606 1.00 0.00 H new ATOM 0 HB3 ASP A 49 6.317 12.632 1.904 1.00 0.00 H new ATOM 702 N GLU A 50 6.211 9.685 2.805 1.00 0.00 N ATOM 703 CA GLU A 50 6.328 8.317 2.316 1.00 0.00 C ATOM 704 C GLU A 50 6.487 7.337 3.475 1.00 0.00 C ATOM 705 O GLU A 50 6.657 7.741 4.626 1.00 0.00 O ATOM 706 CB GLU A 50 7.516 8.192 1.361 1.00 0.00 C ATOM 707 CG GLU A 50 7.284 8.848 0.010 1.00 0.00 C ATOM 708 CD GLU A 50 8.280 8.393 -1.039 1.00 0.00 C ATOM 709 OE1 GLU A 50 9.376 7.933 -0.655 1.00 0.00 O ATOM 710 OE2 GLU A 50 7.963 8.497 -2.242 1.00 0.00 O ATOM 0 H GLU A 50 7.095 10.110 3.085 1.00 0.00 H new ATOM 0 HA GLU A 50 5.412 8.071 1.778 1.00 0.00 H new ATOM 0 HB2 GLU A 50 8.394 8.640 1.827 1.00 0.00 H new ATOM 0 HB3 GLU A 50 7.739 7.136 1.209 1.00 0.00 H new ATOM 0 HG2 GLU A 50 6.274 8.621 -0.331 1.00 0.00 H new ATOM 0 HG3 GLU A 50 7.348 9.931 0.120 1.00 0.00 H new ATOM 717 N LEU A 51 6.431 6.047 3.163 1.00 0.00 N ATOM 718 CA LEU A 51 6.569 5.007 4.177 1.00 0.00 C ATOM 719 C LEU A 51 7.885 4.255 4.011 1.00 0.00 C ATOM 720 O LEU A 51 8.177 3.724 2.940 1.00 0.00 O ATOM 721 CB LEU A 51 5.395 4.029 4.096 1.00 0.00 C ATOM 722 CG LEU A 51 4.961 3.391 5.416 1.00 0.00 C ATOM 723 CD1 LEU A 51 3.916 2.314 5.169 1.00 0.00 C ATOM 724 CD2 LEU A 51 6.162 2.813 6.150 1.00 0.00 C ATOM 0 H LEU A 51 6.291 5.696 2.216 1.00 0.00 H new ATOM 0 HA LEU A 51 6.568 5.486 5.156 1.00 0.00 H new ATOM 0 HB2 LEU A 51 4.540 4.554 3.671 1.00 0.00 H new ATOM 0 HB3 LEU A 51 5.659 3.233 3.400 1.00 0.00 H new ATOM 0 HG LEU A 51 4.516 4.164 6.042 1.00 0.00 H new ATOM 0 HD11 LEU A 51 3.619 1.871 6.119 1.00 0.00 H new ATOM 0 HD12 LEU A 51 3.044 2.756 4.687 1.00 0.00 H new ATOM 0 HD13 LEU A 51 4.335 1.542 4.524 1.00 0.00 H new ATOM 0 HD21 LEU A 51 5.834 2.363 7.087 1.00 0.00 H new ATOM 0 HD22 LEU A 51 6.637 2.053 5.529 1.00 0.00 H new ATOM 0 HD23 LEU A 51 6.877 3.608 6.360 1.00 0.00 H new ATOM 736 N SER A 52 8.675 4.213 5.079 1.00 0.00 N ATOM 737 CA SER A 52 9.962 3.527 5.051 1.00 0.00 C ATOM 738 C SER A 52 9.829 2.102 5.579 1.00 0.00 C ATOM 739 O SER A 52 9.560 1.888 6.761 1.00 0.00 O ATOM 740 CB SER A 52 10.992 4.296 5.881 1.00 0.00 C ATOM 741 OG SER A 52 10.467 4.645 7.150 1.00 0.00 O ATOM 0 H SER A 52 8.447 4.646 5.974 1.00 0.00 H new ATOM 0 HA SER A 52 10.300 3.483 4.016 1.00 0.00 H new ATOM 0 HB2 SER A 52 11.887 3.688 6.009 1.00 0.00 H new ATOM 0 HB3 SER A 52 11.293 5.198 5.348 1.00 0.00 H new ATOM 0 HG SER A 52 10.049 3.858 7.559 1.00 0.00 H new ATOM 747 N PHE A 53 10.020 1.129 4.693 1.00 0.00 N ATOM 748 CA PHE A 53 9.920 -0.276 5.068 1.00 0.00 C ATOM 749 C PHE A 53 11.002 -1.101 4.377 1.00 0.00 C ATOM 750 O PHE A 53 11.729 -0.598 3.520 1.00 0.00 O ATOM 751 CB PHE A 53 8.538 -0.825 4.710 1.00 0.00 C ATOM 752 CG PHE A 53 8.127 -0.538 3.294 1.00 0.00 C ATOM 753 CD1 PHE A 53 7.437 0.622 2.981 1.00 0.00 C ATOM 754 CD2 PHE A 53 8.431 -1.427 2.276 1.00 0.00 C ATOM 755 CE1 PHE A 53 7.057 0.890 1.679 1.00 0.00 C ATOM 756 CE2 PHE A 53 8.055 -1.164 0.972 1.00 0.00 C ATOM 757 CZ PHE A 53 7.366 -0.005 0.674 1.00 0.00 C ATOM 0 H PHE A 53 10.245 1.289 3.711 1.00 0.00 H new ATOM 0 HA PHE A 53 10.064 -0.349 6.146 1.00 0.00 H new ATOM 0 HB2 PHE A 53 8.532 -1.903 4.870 1.00 0.00 H new ATOM 0 HB3 PHE A 53 7.799 -0.398 5.388 1.00 0.00 H new ATOM 0 HD1 PHE A 53 7.193 1.325 3.763 1.00 0.00 H new ATOM 0 HD2 PHE A 53 8.968 -2.336 2.504 1.00 0.00 H new ATOM 0 HE1 PHE A 53 6.519 1.798 1.448 1.00 0.00 H new ATOM 0 HE2 PHE A 53 8.300 -1.864 0.187 1.00 0.00 H new ATOM 0 HZ PHE A 53 7.069 0.201 -0.344 1.00 0.00 H new ATOM 767 N SER A 54 11.103 -2.371 4.756 1.00 0.00 N ATOM 768 CA SER A 54 12.098 -3.265 4.177 1.00 0.00 C ATOM 769 C SER A 54 11.429 -4.376 3.374 1.00 0.00 C ATOM 770 O SER A 54 10.228 -4.617 3.505 1.00 0.00 O ATOM 771 CB SER A 54 12.972 -3.872 5.277 1.00 0.00 C ATOM 772 OG SER A 54 12.195 -4.641 6.179 1.00 0.00 O ATOM 0 H SER A 54 10.507 -2.804 5.462 1.00 0.00 H new ATOM 0 HA SER A 54 12.726 -2.681 3.504 1.00 0.00 H new ATOM 0 HB2 SER A 54 13.742 -4.500 4.829 1.00 0.00 H new ATOM 0 HB3 SER A 54 13.484 -3.077 5.819 1.00 0.00 H new ATOM 0 HG SER A 54 12.776 -5.019 6.871 1.00 0.00 H new ATOM 778 N LYS A 55 12.213 -5.051 2.540 1.00 0.00 N ATOM 779 CA LYS A 55 11.700 -6.137 1.715 1.00 0.00 C ATOM 780 C LYS A 55 11.048 -7.214 2.577 1.00 0.00 C ATOM 781 O LYS A 55 11.710 -7.855 3.392 1.00 0.00 O ATOM 782 CB LYS A 55 12.828 -6.750 0.882 1.00 0.00 C ATOM 783 CG LYS A 55 12.417 -8.004 0.130 1.00 0.00 C ATOM 784 CD LYS A 55 13.562 -8.556 -0.702 1.00 0.00 C ATOM 785 CE LYS A 55 13.344 -10.021 -1.049 1.00 0.00 C ATOM 786 NZ LYS A 55 12.442 -10.185 -2.222 1.00 0.00 N ATOM 0 H LYS A 55 13.208 -4.864 2.418 1.00 0.00 H new ATOM 0 HA LYS A 55 10.945 -5.725 1.045 1.00 0.00 H new ATOM 0 HB2 LYS A 55 13.185 -6.008 0.167 1.00 0.00 H new ATOM 0 HB3 LYS A 55 13.665 -6.988 1.539 1.00 0.00 H new ATOM 0 HG2 LYS A 55 12.083 -8.762 0.839 1.00 0.00 H new ATOM 0 HG3 LYS A 55 11.570 -7.779 -0.519 1.00 0.00 H new ATOM 0 HD2 LYS A 55 13.660 -7.975 -1.619 1.00 0.00 H new ATOM 0 HD3 LYS A 55 14.497 -8.446 -0.153 1.00 0.00 H new ATOM 0 HE2 LYS A 55 14.304 -10.491 -1.261 1.00 0.00 H new ATOM 0 HE3 LYS A 55 12.919 -10.539 -0.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 12.319 -11.197 -2.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 11.517 -9.759 -2.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 12.859 -9.713 -3.050 1.00 0.00 H new ATOM 800 N GLY A 56 9.746 -7.408 2.390 1.00 0.00 N ATOM 801 CA GLY A 56 9.027 -8.408 3.157 1.00 0.00 C ATOM 802 C GLY A 56 8.398 -7.836 4.412 1.00 0.00 C ATOM 803 O GLY A 56 8.074 -8.573 5.342 1.00 0.00 O ATOM 0 H GLY A 56 9.176 -6.890 1.721 1.00 0.00 H new ATOM 0 HA2 GLY A 56 8.249 -8.849 2.534 1.00 0.00 H new ATOM 0 HA3 GLY A 56 9.710 -9.212 3.431 1.00 0.00 H new ATOM 807 N GLN A 57 8.227 -6.518 4.438 1.00 0.00 N ATOM 808 CA GLN A 57 7.635 -5.848 5.590 1.00 0.00 C ATOM 809 C GLN A 57 6.128 -6.073 5.635 1.00 0.00 C ATOM 810 O GLN A 57 5.510 -6.418 4.627 1.00 0.00 O ATOM 811 CB GLN A 57 7.938 -4.349 5.545 1.00 0.00 C ATOM 812 CG GLN A 57 7.711 -3.643 6.872 1.00 0.00 C ATOM 813 CD GLN A 57 8.617 -4.162 7.972 1.00 0.00 C ATOM 814 OE1 GLN A 57 8.403 -5.251 8.506 1.00 0.00 O ATOM 815 NE2 GLN A 57 9.636 -3.384 8.317 1.00 0.00 N ATOM 0 H GLN A 57 8.490 -5.894 3.675 1.00 0.00 H new ATOM 0 HA GLN A 57 8.074 -6.274 6.492 1.00 0.00 H new ATOM 0 HB2 GLN A 57 8.974 -4.205 5.239 1.00 0.00 H new ATOM 0 HB3 GLN A 57 7.313 -3.883 4.783 1.00 0.00 H new ATOM 0 HG2 GLN A 57 7.878 -2.574 6.743 1.00 0.00 H new ATOM 0 HG3 GLN A 57 6.671 -3.769 7.173 1.00 0.00 H new ATOM 0 HE21 GLN A 57 9.776 -2.489 7.848 1.00 0.00 H new ATOM 0 HE22 GLN A 57 10.279 -3.681 9.051 1.00 0.00 H new ATOM 824 N LEU A 58 5.540 -5.875 6.810 1.00 0.00 N ATOM 825 CA LEU A 58 4.104 -6.057 6.988 1.00 0.00 C ATOM 826 C LEU A 58 3.338 -4.816 6.539 1.00 0.00 C ATOM 827 O LEU A 58 3.339 -3.793 7.224 1.00 0.00 O ATOM 828 CB LEU A 58 3.786 -6.365 8.452 1.00 0.00 C ATOM 829 CG LEU A 58 2.420 -5.895 8.955 1.00 0.00 C ATOM 830 CD1 LEU A 58 1.310 -6.426 8.062 1.00 0.00 C ATOM 831 CD2 LEU A 58 2.204 -6.333 10.396 1.00 0.00 C ATOM 0 H LEU A 58 6.036 -5.588 7.654 1.00 0.00 H new ATOM 0 HA LEU A 58 3.790 -6.898 6.370 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.854 -7.443 8.599 1.00 0.00 H new ATOM 0 HB3 LEU A 58 4.556 -5.909 9.074 1.00 0.00 H new ATOM 0 HG LEU A 58 2.396 -4.806 8.919 1.00 0.00 H new ATOM 0 HD11 LEU A 58 0.346 -6.081 8.436 1.00 0.00 H new ATOM 0 HD12 LEU A 58 1.456 -6.062 7.045 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.331 -7.516 8.064 1.00 0.00 H new ATOM 0 HD21 LEU A 58 1.227 -5.990 10.738 1.00 0.00 H new ATOM 0 HD22 LEU A 58 2.249 -7.420 10.456 1.00 0.00 H new ATOM 0 HD23 LEU A 58 2.981 -5.902 11.028 1.00 0.00 H new ATOM 843 N ILE A 59 2.685 -4.915 5.386 1.00 0.00 N ATOM 844 CA ILE A 59 1.913 -3.801 4.849 1.00 0.00 C ATOM 845 C ILE A 59 0.455 -4.194 4.639 1.00 0.00 C ATOM 846 O ILE A 59 0.160 -5.244 4.069 1.00 0.00 O ATOM 847 CB ILE A 59 2.496 -3.305 3.513 1.00 0.00 C ATOM 848 CG1 ILE A 59 3.887 -2.705 3.730 1.00 0.00 C ATOM 849 CG2 ILE A 59 1.566 -2.283 2.875 1.00 0.00 C ATOM 850 CD1 ILE A 59 4.707 -2.607 2.463 1.00 0.00 C ATOM 0 H ILE A 59 2.675 -5.754 4.806 1.00 0.00 H new ATOM 0 HA ILE A 59 1.968 -2.996 5.582 1.00 0.00 H new ATOM 0 HB ILE A 59 2.589 -4.155 2.837 1.00 0.00 H new ATOM 0 HG12 ILE A 59 3.781 -1.710 4.163 1.00 0.00 H new ATOM 0 HG13 ILE A 59 4.427 -3.313 4.456 1.00 0.00 H new ATOM 0 HG21 ILE A 59 1.992 -1.942 1.932 1.00 0.00 H new ATOM 0 HG22 ILE A 59 0.594 -2.741 2.690 1.00 0.00 H new ATOM 0 HG23 ILE A 59 1.444 -1.433 3.546 1.00 0.00 H new ATOM 0 HD11 ILE A 59 5.680 -2.173 2.692 1.00 0.00 H new ATOM 0 HD12 ILE A 59 4.844 -3.602 2.040 1.00 0.00 H new ATOM 0 HD13 ILE A 59 4.189 -1.975 1.742 1.00 0.00 H new ATOM 862 N ASN A 60 -0.454 -3.343 5.103 1.00 0.00 N ATOM 863 CA ASN A 60 -1.883 -3.600 4.966 1.00 0.00 C ATOM 864 C ASN A 60 -2.567 -2.476 4.194 1.00 0.00 C ATOM 865 O ASN A 60 -2.862 -1.417 4.749 1.00 0.00 O ATOM 866 CB ASN A 60 -2.530 -3.754 6.344 1.00 0.00 C ATOM 867 CG ASN A 60 -1.729 -4.659 7.261 1.00 0.00 C ATOM 868 OD1 ASN A 60 -0.924 -4.189 8.065 1.00 0.00 O ATOM 869 ND2 ASN A 60 -1.947 -5.963 7.143 1.00 0.00 N ATOM 0 H ASN A 60 -0.226 -2.469 5.577 1.00 0.00 H new ATOM 0 HA ASN A 60 -2.007 -4.528 4.408 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -2.633 -2.772 6.806 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -3.536 -4.158 6.227 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -1.437 -6.621 7.733 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -2.624 -6.307 6.462 1.00 0.00 H new ATOM 876 N VAL A 61 -2.816 -2.713 2.910 1.00 0.00 N ATOM 877 CA VAL A 61 -3.466 -1.722 2.061 1.00 0.00 C ATOM 878 C VAL A 61 -4.840 -1.348 2.607 1.00 0.00 C ATOM 879 O VAL A 61 -5.684 -2.213 2.838 1.00 0.00 O ATOM 880 CB VAL A 61 -3.622 -2.235 0.617 1.00 0.00 C ATOM 881 CG1 VAL A 61 -4.186 -1.143 -0.280 1.00 0.00 C ATOM 882 CG2 VAL A 61 -2.290 -2.739 0.084 1.00 0.00 C ATOM 0 H VAL A 61 -2.577 -3.583 2.435 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.826 -0.839 2.058 1.00 0.00 H new ATOM 0 HB VAL A 61 -4.325 -3.068 0.620 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -4.289 -1.524 -1.296 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -5.163 -0.834 0.093 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -3.511 -0.287 -0.280 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -2.419 -3.098 -0.937 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -1.563 -1.927 0.094 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -1.932 -3.554 0.712 1.00 0.00 H new ATOM 892 N MET A 62 -5.056 -0.052 2.810 1.00 0.00 N ATOM 893 CA MET A 62 -6.329 0.438 3.327 1.00 0.00 C ATOM 894 C MET A 62 -7.024 1.331 2.304 1.00 0.00 C ATOM 895 O MET A 62 -8.249 1.328 2.195 1.00 0.00 O ATOM 896 CB MET A 62 -6.111 1.208 4.631 1.00 0.00 C ATOM 897 CG MET A 62 -5.372 0.410 5.692 1.00 0.00 C ATOM 898 SD MET A 62 -4.525 1.461 6.887 1.00 0.00 S ATOM 899 CE MET A 62 -5.909 2.059 7.854 1.00 0.00 C ATOM 0 H MET A 62 -4.367 0.677 2.625 1.00 0.00 H new ATOM 0 HA MET A 62 -6.969 -0.422 3.524 1.00 0.00 H new ATOM 0 HB2 MET A 62 -5.551 2.118 4.417 1.00 0.00 H new ATOM 0 HB3 MET A 62 -7.079 1.516 5.028 1.00 0.00 H new ATOM 0 HG2 MET A 62 -6.079 -0.233 6.216 1.00 0.00 H new ATOM 0 HG3 MET A 62 -4.645 -0.243 5.209 1.00 0.00 H new ATOM 0 HE1 MET A 62 -5.547 2.450 8.805 1.00 0.00 H new ATOM 0 HE2 MET A 62 -6.420 2.851 7.307 1.00 0.00 H new ATOM 0 HE3 MET A 62 -6.604 1.240 8.040 1.00 0.00 H new ATOM 909 N ASN A 63 -6.232 2.095 1.558 1.00 0.00 N ATOM 910 CA ASN A 63 -6.772 2.995 0.545 1.00 0.00 C ATOM 911 C ASN A 63 -5.979 2.889 -0.754 1.00 0.00 C ATOM 912 O ASN A 63 -4.910 3.484 -0.892 1.00 0.00 O ATOM 913 CB ASN A 63 -6.752 4.438 1.052 1.00 0.00 C ATOM 914 CG ASN A 63 -7.547 5.374 0.162 1.00 0.00 C ATOM 915 OD1 ASN A 63 -8.777 5.394 0.205 1.00 0.00 O ATOM 916 ND2 ASN A 63 -6.845 6.157 -0.650 1.00 0.00 N ATOM 0 H ASN A 63 -5.215 2.109 1.636 1.00 0.00 H new ATOM 0 HA ASN A 63 -7.803 2.702 0.346 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -7.157 4.471 2.063 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -5.721 4.785 1.111 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -7.325 6.808 -1.271 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -5.826 6.107 -0.652 1.00 0.00 H new ATOM 923 N LYS A 64 -6.511 2.130 -1.706 1.00 0.00 N ATOM 924 CA LYS A 64 -5.856 1.947 -2.995 1.00 0.00 C ATOM 925 C LYS A 64 -6.676 2.577 -4.116 1.00 0.00 C ATOM 926 O LYS A 64 -6.826 1.996 -5.191 1.00 0.00 O ATOM 927 CB LYS A 64 -5.647 0.457 -3.278 1.00 0.00 C ATOM 928 CG LYS A 64 -6.937 -0.296 -3.552 1.00 0.00 C ATOM 929 CD LYS A 64 -6.750 -1.796 -3.395 1.00 0.00 C ATOM 930 CE LYS A 64 -7.684 -2.573 -4.312 1.00 0.00 C ATOM 931 NZ LYS A 64 -9.077 -2.603 -3.788 1.00 0.00 N ATOM 0 H LYS A 64 -7.395 1.631 -1.608 1.00 0.00 H new ATOM 0 HA LYS A 64 -4.886 2.443 -2.955 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -4.983 0.348 -4.136 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -5.144 0.001 -2.426 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -7.713 0.049 -2.868 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -7.281 -0.075 -4.562 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -5.716 -2.060 -3.618 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -6.935 -2.081 -2.359 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -7.679 -2.121 -5.304 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -7.316 -3.593 -4.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -9.682 -3.141 -4.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -9.086 -3.058 -2.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -9.437 -1.631 -3.704 1.00 0.00 H new ATOM 945 N ASP A 65 -7.201 3.770 -3.859 1.00 0.00 N ATOM 946 CA ASP A 65 -8.004 4.481 -4.848 1.00 0.00 C ATOM 947 C ASP A 65 -7.259 4.592 -6.175 1.00 0.00 C ATOM 948 O ASP A 65 -7.828 4.354 -7.240 1.00 0.00 O ATOM 949 CB ASP A 65 -8.367 5.875 -4.335 1.00 0.00 C ATOM 950 CG ASP A 65 -7.193 6.834 -4.384 1.00 0.00 C ATOM 951 OD1 ASP A 65 -6.211 6.609 -3.646 1.00 0.00 O ATOM 952 OD2 ASP A 65 -7.256 7.809 -5.162 1.00 0.00 O ATOM 0 H ASP A 65 -7.085 4.265 -2.975 1.00 0.00 H new ATOM 0 HA ASP A 65 -8.920 3.913 -5.012 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -9.186 6.277 -4.932 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -8.728 5.799 -3.309 1.00 0.00 H new ATOM 957 N ASP A 66 -5.983 4.954 -6.102 1.00 0.00 N ATOM 958 CA ASP A 66 -5.159 5.097 -7.297 1.00 0.00 C ATOM 959 C ASP A 66 -4.316 3.847 -7.528 1.00 0.00 C ATOM 960 O ASP A 66 -3.581 3.393 -6.650 1.00 0.00 O ATOM 961 CB ASP A 66 -4.253 6.323 -7.175 1.00 0.00 C ATOM 962 CG ASP A 66 -4.984 7.615 -7.482 1.00 0.00 C ATOM 963 OD1 ASP A 66 -5.949 7.578 -8.273 1.00 0.00 O ATOM 964 OD2 ASP A 66 -4.590 8.664 -6.931 1.00 0.00 O ATOM 0 H ASP A 66 -5.497 5.154 -5.228 1.00 0.00 H new ATOM 0 HA ASP A 66 -5.822 5.229 -8.152 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -3.845 6.371 -6.165 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -3.408 6.216 -7.855 1.00 0.00 H new ATOM 969 N PRO A 67 -4.423 3.275 -8.737 1.00 0.00 N ATOM 970 CA PRO A 67 -3.678 2.070 -9.111 1.00 0.00 C ATOM 971 C PRO A 67 -2.183 2.334 -9.260 1.00 0.00 C ATOM 972 O PRO A 67 -1.418 1.440 -9.621 1.00 0.00 O ATOM 973 CB PRO A 67 -4.289 1.679 -10.459 1.00 0.00 C ATOM 974 CG PRO A 67 -4.826 2.953 -11.015 1.00 0.00 C ATOM 975 CD PRO A 67 -5.279 3.762 -9.831 1.00 0.00 C ATOM 0 HA PRO A 67 -3.754 1.292 -8.351 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -3.541 1.242 -11.121 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -5.078 0.937 -10.336 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -4.062 3.485 -11.582 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -5.654 2.763 -11.698 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -5.146 4.831 -10.000 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -6.336 3.602 -9.616 1.00 0.00 H new ATOM 983 N ASP A 68 -1.775 3.567 -8.980 1.00 0.00 N ATOM 984 CA ASP A 68 -0.371 3.949 -9.081 1.00 0.00 C ATOM 985 C ASP A 68 0.292 3.952 -7.707 1.00 0.00 C ATOM 986 O ASP A 68 1.433 3.516 -7.557 1.00 0.00 O ATOM 987 CB ASP A 68 -0.242 5.329 -9.727 1.00 0.00 C ATOM 988 CG ASP A 68 -1.287 5.567 -10.799 1.00 0.00 C ATOM 989 OD1 ASP A 68 -1.175 4.956 -11.882 1.00 0.00 O ATOM 990 OD2 ASP A 68 -2.216 6.366 -10.555 1.00 0.00 O ATOM 0 H ASP A 68 -2.396 4.319 -8.681 1.00 0.00 H new ATOM 0 HA ASP A 68 0.136 3.215 -9.707 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -0.333 6.097 -8.958 1.00 0.00 H new ATOM 0 HB3 ASP A 68 0.752 5.431 -10.163 1.00 0.00 H new ATOM 995 N TRP A 69 -0.431 4.447 -6.709 1.00 0.00 N ATOM 996 CA TRP A 69 0.088 4.508 -5.347 1.00 0.00 C ATOM 997 C TRP A 69 -0.920 3.941 -4.354 1.00 0.00 C ATOM 998 O TRP A 69 -2.113 4.236 -4.431 1.00 0.00 O ATOM 999 CB TRP A 69 0.434 5.951 -4.975 1.00 0.00 C ATOM 1000 CG TRP A 69 1.801 6.369 -5.424 1.00 0.00 C ATOM 1001 CD1 TRP A 69 2.177 6.720 -6.690 1.00 0.00 C ATOM 1002 CD2 TRP A 69 2.974 6.478 -4.611 1.00 0.00 C ATOM 1003 NE1 TRP A 69 3.513 7.040 -6.712 1.00 0.00 N ATOM 1004 CE2 TRP A 69 4.024 6.901 -5.449 1.00 0.00 C ATOM 1005 CE3 TRP A 69 3.239 6.262 -3.256 1.00 0.00 C ATOM 1006 CZ2 TRP A 69 5.317 7.110 -4.975 1.00 0.00 C ATOM 1007 CZ3 TRP A 69 4.522 6.469 -2.787 1.00 0.00 C ATOM 1008 CH2 TRP A 69 5.548 6.890 -3.644 1.00 0.00 C ATOM 0 H TRP A 69 -1.377 4.812 -6.817 1.00 0.00 H new ATOM 0 HA TRP A 69 0.993 3.902 -5.302 1.00 0.00 H new ATOM 0 HB2 TRP A 69 -0.306 6.619 -5.416 1.00 0.00 H new ATOM 0 HB3 TRP A 69 0.364 6.067 -3.893 1.00 0.00 H new ATOM 0 HD1 TRP A 69 1.521 6.743 -7.547 1.00 0.00 H new ATOM 0 HE1 TRP A 69 4.039 7.333 -7.535 1.00 0.00 H new ATOM 0 HE3 TRP A 69 2.455 5.939 -2.587 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 6.109 7.434 -5.634 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 4.738 6.304 -1.742 1.00 0.00 H new ATOM 0 HH2 TRP A 69 6.540 7.044 -3.246 1.00 0.00 H new ATOM 1019 N TRP A 70 -0.435 3.128 -3.424 1.00 0.00 N ATOM 1020 CA TRP A 70 -1.296 2.521 -2.415 1.00 0.00 C ATOM 1021 C TRP A 70 -0.917 2.998 -1.017 1.00 0.00 C ATOM 1022 O TRP A 70 0.167 3.542 -0.811 1.00 0.00 O ATOM 1023 CB TRP A 70 -1.205 0.996 -2.489 1.00 0.00 C ATOM 1024 CG TRP A 70 -1.941 0.412 -3.657 1.00 0.00 C ATOM 1025 CD1 TRP A 70 -2.695 1.090 -4.572 1.00 0.00 C ATOM 1026 CD2 TRP A 70 -1.996 -0.968 -4.032 1.00 0.00 C ATOM 1027 NE1 TRP A 70 -3.214 0.214 -5.494 1.00 0.00 N ATOM 1028 CE2 TRP A 70 -2.800 -1.054 -5.186 1.00 0.00 C ATOM 1029 CE3 TRP A 70 -1.443 -2.139 -3.508 1.00 0.00 C ATOM 1030 CZ2 TRP A 70 -3.063 -2.265 -5.821 1.00 0.00 C ATOM 1031 CZ3 TRP A 70 -1.705 -3.341 -4.139 1.00 0.00 C ATOM 1032 CH2 TRP A 70 -2.509 -3.396 -5.286 1.00 0.00 C ATOM 0 H TRP A 70 0.550 2.873 -3.347 1.00 0.00 H new ATOM 0 HA TRP A 70 -2.322 2.827 -2.617 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -0.156 0.704 -2.547 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -1.604 0.570 -1.568 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -2.859 2.157 -4.571 1.00 0.00 H new ATOM 0 HE1 TRP A 70 -3.811 0.467 -6.281 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -0.822 -2.106 -2.625 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 -3.682 -2.310 -6.705 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -1.283 -4.252 -3.742 1.00 0.00 H new ATOM 0 HH2 TRP A 70 -2.695 -4.350 -5.757 1.00 0.00 H new ATOM 1043 N GLN A 71 -1.818 2.791 -0.062 1.00 0.00 N ATOM 1044 CA GLN A 71 -1.577 3.201 1.316 1.00 0.00 C ATOM 1045 C GLN A 71 -1.711 2.017 2.268 1.00 0.00 C ATOM 1046 O GLN A 71 -2.738 1.341 2.293 1.00 0.00 O ATOM 1047 CB GLN A 71 -2.552 4.308 1.719 1.00 0.00 C ATOM 1048 CG GLN A 71 -2.322 4.839 3.125 1.00 0.00 C ATOM 1049 CD GLN A 71 -3.095 6.115 3.400 1.00 0.00 C ATOM 1050 OE1 GLN A 71 -4.029 6.457 2.674 1.00 0.00 O ATOM 1051 NE2 GLN A 71 -2.709 6.825 4.453 1.00 0.00 N ATOM 0 H GLN A 71 -2.721 2.342 -0.217 1.00 0.00 H new ATOM 0 HA GLN A 71 -0.558 3.583 1.382 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -2.467 5.132 1.010 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -3.571 3.928 1.645 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -2.614 4.078 3.849 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -1.258 5.025 3.270 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -1.930 6.503 5.027 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -3.192 7.692 4.688 1.00 0.00 H new ATOM 1060 N GLY A 72 -0.665 1.772 3.051 1.00 0.00 N ATOM 1061 CA GLY A 72 -0.686 0.668 3.994 1.00 0.00 C ATOM 1062 C GLY A 72 -0.116 1.050 5.346 1.00 0.00 C ATOM 1063 O GLY A 72 0.412 2.148 5.516 1.00 0.00 O ATOM 0 H GLY A 72 0.197 2.318 3.050 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -1.712 0.321 4.120 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -0.116 -0.166 3.585 1.00 0.00 H new ATOM 1067 N GLU A 73 -0.224 0.141 6.310 1.00 0.00 N ATOM 1068 CA GLU A 73 0.283 0.390 7.654 1.00 0.00 C ATOM 1069 C GLU A 73 1.366 -0.621 8.023 1.00 0.00 C ATOM 1070 O GLU A 73 1.384 -1.741 7.512 1.00 0.00 O ATOM 1071 CB GLU A 73 -0.856 0.328 8.673 1.00 0.00 C ATOM 1072 CG GLU A 73 -1.428 -1.067 8.863 1.00 0.00 C ATOM 1073 CD GLU A 73 -2.028 -1.269 10.240 1.00 0.00 C ATOM 1074 OE1 GLU A 73 -2.951 -0.511 10.603 1.00 0.00 O ATOM 1075 OE2 GLU A 73 -1.574 -2.187 10.956 1.00 0.00 O ATOM 0 H GLU A 73 -0.658 -0.774 6.185 1.00 0.00 H new ATOM 0 HA GLU A 73 0.721 1.388 7.670 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -0.494 0.697 9.633 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -1.654 0.998 8.354 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -2.193 -1.248 8.108 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -0.641 -1.803 8.702 1.00 0.00 H new ATOM 1082 N ILE A 74 2.266 -0.217 8.913 1.00 0.00 N ATOM 1083 CA ILE A 74 3.350 -1.086 9.350 1.00 0.00 C ATOM 1084 C ILE A 74 3.731 -0.804 10.800 1.00 0.00 C ATOM 1085 O ILE A 74 4.379 0.199 11.098 1.00 0.00 O ATOM 1086 CB ILE A 74 4.598 -0.921 8.462 1.00 0.00 C ATOM 1087 CG1 ILE A 74 4.191 -0.783 6.994 1.00 0.00 C ATOM 1088 CG2 ILE A 74 5.541 -2.100 8.649 1.00 0.00 C ATOM 1089 CD1 ILE A 74 5.321 -0.338 6.093 1.00 0.00 C ATOM 0 H ILE A 74 2.265 0.707 9.345 1.00 0.00 H new ATOM 0 HA ILE A 74 2.986 -2.110 9.265 1.00 0.00 H new ATOM 0 HB ILE A 74 5.121 -0.013 8.761 1.00 0.00 H new ATOM 0 HG12 ILE A 74 3.810 -1.741 6.639 1.00 0.00 H new ATOM 0 HG13 ILE A 74 3.373 -0.067 6.918 1.00 0.00 H new ATOM 0 HG21 ILE A 74 6.418 -1.969 8.015 1.00 0.00 H new ATOM 0 HG22 ILE A 74 5.852 -2.155 9.692 1.00 0.00 H new ATOM 0 HG23 ILE A 74 5.029 -3.022 8.374 1.00 0.00 H new ATOM 0 HD11 ILE A 74 4.960 -0.262 5.067 1.00 0.00 H new ATOM 0 HD12 ILE A 74 5.687 0.634 6.422 1.00 0.00 H new ATOM 0 HD13 ILE A 74 6.131 -1.066 6.139 1.00 0.00 H new ATOM 1101 N ASN A 75 3.325 -1.696 11.697 1.00 0.00 N ATOM 1102 CA ASN A 75 3.624 -1.543 13.116 1.00 0.00 C ATOM 1103 C ASN A 75 3.021 -0.253 13.664 1.00 0.00 C ATOM 1104 O ASN A 75 3.705 0.537 14.313 1.00 0.00 O ATOM 1105 CB ASN A 75 5.137 -1.549 13.343 1.00 0.00 C ATOM 1106 CG ASN A 75 5.693 -2.951 13.501 1.00 0.00 C ATOM 1107 OD1 ASN A 75 5.949 -3.407 14.616 1.00 0.00 O ATOM 1108 ND2 ASN A 75 5.882 -3.642 12.383 1.00 0.00 N ATOM 0 H ASN A 75 2.788 -2.532 11.467 1.00 0.00 H new ATOM 0 HA ASN A 75 3.180 -2.384 13.648 1.00 0.00 H new ATOM 0 HB2 ASN A 75 5.629 -1.058 12.503 1.00 0.00 H new ATOM 0 HB3 ASN A 75 5.370 -0.966 14.234 1.00 0.00 H new ATOM 0 HD21 ASN A 75 6.253 -4.591 12.427 1.00 0.00 H new ATOM 0 HD22 ASN A 75 5.656 -3.224 11.481 1.00 0.00 H new ATOM 1115 N GLY A 76 1.735 -0.048 13.397 1.00 0.00 N ATOM 1116 CA GLY A 76 1.061 1.147 13.871 1.00 0.00 C ATOM 1117 C GLY A 76 1.505 2.394 13.133 1.00 0.00 C ATOM 1118 O GLY A 76 1.164 3.511 13.524 1.00 0.00 O ATOM 0 H GLY A 76 1.148 -0.687 12.861 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -0.016 1.024 13.754 1.00 0.00 H new ATOM 0 HA3 GLY A 76 1.254 1.271 14.937 1.00 0.00 H new ATOM 1122 N VAL A 77 2.270 2.206 12.062 1.00 0.00 N ATOM 1123 CA VAL A 77 2.762 3.324 11.267 1.00 0.00 C ATOM 1124 C VAL A 77 2.049 3.398 9.921 1.00 0.00 C ATOM 1125 O VAL A 77 1.630 2.379 9.371 1.00 0.00 O ATOM 1126 CB VAL A 77 4.280 3.217 11.027 1.00 0.00 C ATOM 1127 CG1 VAL A 77 4.565 2.420 9.763 1.00 0.00 C ATOM 1128 CG2 VAL A 77 4.905 4.602 10.946 1.00 0.00 C ATOM 0 H VAL A 77 2.562 1.289 11.725 1.00 0.00 H new ATOM 0 HA VAL A 77 2.555 4.231 11.834 1.00 0.00 H new ATOM 0 HB VAL A 77 4.728 2.690 11.869 1.00 0.00 H new ATOM 0 HG11 VAL A 77 5.642 2.355 9.609 1.00 0.00 H new ATOM 0 HG12 VAL A 77 4.151 1.417 9.864 1.00 0.00 H new ATOM 0 HG13 VAL A 77 4.106 2.917 8.908 1.00 0.00 H new ATOM 0 HG21 VAL A 77 5.978 4.508 10.776 1.00 0.00 H new ATOM 0 HG22 VAL A 77 4.455 5.157 10.123 1.00 0.00 H new ATOM 0 HG23 VAL A 77 4.731 5.135 11.881 1.00 0.00 H new ATOM 1138 N THR A 78 1.915 4.611 9.394 1.00 0.00 N ATOM 1139 CA THR A 78 1.253 4.819 8.113 1.00 0.00 C ATOM 1140 C THR A 78 2.084 5.718 7.204 1.00 0.00 C ATOM 1141 O THR A 78 2.780 6.618 7.672 1.00 0.00 O ATOM 1142 CB THR A 78 -0.143 5.445 8.297 1.00 0.00 C ATOM 1143 OG1 THR A 78 -0.040 6.661 9.045 1.00 0.00 O ATOM 1144 CG2 THR A 78 -1.077 4.481 9.013 1.00 0.00 C ATOM 0 H THR A 78 2.257 5.465 9.835 1.00 0.00 H new ATOM 0 HA THR A 78 1.146 3.838 7.650 1.00 0.00 H new ATOM 0 HB THR A 78 -0.554 5.660 7.311 1.00 0.00 H new ATOM 0 HG1 THR A 78 -0.931 7.053 9.156 1.00 0.00 H new ATOM 0 HG21 THR A 78 -2.057 4.944 9.132 1.00 0.00 H new ATOM 0 HG22 THR A 78 -1.176 3.568 8.427 1.00 0.00 H new ATOM 0 HG23 THR A 78 -0.668 4.240 9.994 1.00 0.00 H new ATOM 1152 N GLY A 79 2.006 5.468 5.900 1.00 0.00 N ATOM 1153 CA GLY A 79 2.755 6.263 4.946 1.00 0.00 C ATOM 1154 C GLY A 79 2.214 6.139 3.536 1.00 0.00 C ATOM 1155 O GLY A 79 1.005 6.020 3.335 1.00 0.00 O ATOM 0 H GLY A 79 1.437 4.729 5.488 1.00 0.00 H new ATOM 0 HA2 GLY A 79 2.730 7.309 5.251 1.00 0.00 H new ATOM 0 HA3 GLY A 79 3.800 5.952 4.960 1.00 0.00 H new ATOM 1159 N LEU A 80 3.110 6.168 2.555 1.00 0.00 N ATOM 1160 CA LEU A 80 2.716 6.059 1.155 1.00 0.00 C ATOM 1161 C LEU A 80 3.740 5.253 0.362 1.00 0.00 C ATOM 1162 O LEU A 80 4.934 5.282 0.661 1.00 0.00 O ATOM 1163 CB LEU A 80 2.558 7.451 0.540 1.00 0.00 C ATOM 1164 CG LEU A 80 1.339 8.252 0.997 1.00 0.00 C ATOM 1165 CD1 LEU A 80 1.411 9.679 0.474 1.00 0.00 C ATOM 1166 CD2 LEU A 80 0.054 7.578 0.538 1.00 0.00 C ATOM 0 H LEU A 80 4.114 6.266 2.704 1.00 0.00 H new ATOM 0 HA LEU A 80 1.759 5.538 1.112 1.00 0.00 H new ATOM 0 HB2 LEU A 80 3.454 8.030 0.766 1.00 0.00 H new ATOM 0 HB3 LEU A 80 2.512 7.344 -0.544 1.00 0.00 H new ATOM 0 HG LEU A 80 1.338 8.285 2.086 1.00 0.00 H new ATOM 0 HD11 LEU A 80 0.535 10.234 0.809 1.00 0.00 H new ATOM 0 HD12 LEU A 80 2.313 10.160 0.853 1.00 0.00 H new ATOM 0 HD13 LEU A 80 1.437 9.666 -0.616 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -0.803 8.163 0.873 1.00 0.00 H new ATOM 0 HD22 LEU A 80 0.046 7.512 -0.550 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -0.003 6.576 0.962 1.00 0.00 H new ATOM 1178 N PHE A 81 3.265 4.537 -0.651 1.00 0.00 N ATOM 1179 CA PHE A 81 4.140 3.724 -1.489 1.00 0.00 C ATOM 1180 C PHE A 81 3.427 3.301 -2.770 1.00 0.00 C ATOM 1181 O PHE A 81 2.200 3.204 -2.825 1.00 0.00 O ATOM 1182 CB PHE A 81 4.610 2.487 -0.721 1.00 0.00 C ATOM 1183 CG PHE A 81 3.488 1.698 -0.109 1.00 0.00 C ATOM 1184 CD1 PHE A 81 2.547 1.071 -0.910 1.00 0.00 C ATOM 1185 CD2 PHE A 81 3.374 1.584 1.267 1.00 0.00 C ATOM 1186 CE1 PHE A 81 1.513 0.345 -0.350 1.00 0.00 C ATOM 1187 CE2 PHE A 81 2.342 0.858 1.832 1.00 0.00 C ATOM 1188 CZ PHE A 81 1.410 0.239 1.023 1.00 0.00 C ATOM 0 H PHE A 81 2.280 4.503 -0.912 1.00 0.00 H new ATOM 0 HA PHE A 81 5.007 4.327 -1.759 1.00 0.00 H new ATOM 0 HB2 PHE A 81 5.171 1.841 -1.397 1.00 0.00 H new ATOM 0 HB3 PHE A 81 5.297 2.798 0.067 1.00 0.00 H new ATOM 0 HD1 PHE A 81 2.623 1.151 -1.984 1.00 0.00 H new ATOM 0 HD2 PHE A 81 4.099 2.067 1.905 1.00 0.00 H new ATOM 0 HE1 PHE A 81 0.786 -0.139 -0.986 1.00 0.00 H new ATOM 0 HE2 PHE A 81 2.265 0.775 2.906 1.00 0.00 H new ATOM 0 HZ PHE A 81 0.602 -0.327 1.463 1.00 0.00 H new ATOM 1198 N PRO A 82 4.212 3.044 -3.826 1.00 0.00 N ATOM 1199 CA PRO A 82 3.679 2.627 -5.126 1.00 0.00 C ATOM 1200 C PRO A 82 3.099 1.217 -5.090 1.00 0.00 C ATOM 1201 O PRO A 82 3.580 0.357 -4.353 1.00 0.00 O ATOM 1202 CB PRO A 82 4.902 2.679 -6.045 1.00 0.00 C ATOM 1203 CG PRO A 82 6.067 2.494 -5.135 1.00 0.00 C ATOM 1204 CD PRO A 82 5.682 3.139 -3.832 1.00 0.00 C ATOM 0 HA PRO A 82 2.857 3.264 -5.452 1.00 0.00 H new ATOM 0 HB2 PRO A 82 4.862 1.895 -6.802 1.00 0.00 H new ATOM 0 HB3 PRO A 82 4.960 3.630 -6.574 1.00 0.00 H new ATOM 0 HG2 PRO A 82 6.289 1.436 -4.996 1.00 0.00 H new ATOM 0 HG3 PRO A 82 6.963 2.956 -5.549 1.00 0.00 H new ATOM 0 HD2 PRO A 82 6.122 2.619 -2.981 1.00 0.00 H new ATOM 0 HD3 PRO A 82 6.018 4.175 -3.781 1.00 0.00 H new ATOM 1212 N SER A 83 2.063 0.988 -5.891 1.00 0.00 N ATOM 1213 CA SER A 83 1.415 -0.318 -5.948 1.00 0.00 C ATOM 1214 C SER A 83 2.285 -1.324 -6.695 1.00 0.00 C ATOM 1215 O SER A 83 1.888 -2.469 -6.905 1.00 0.00 O ATOM 1216 CB SER A 83 0.049 -0.203 -6.627 1.00 0.00 C ATOM 1217 OG SER A 83 -0.273 -1.392 -7.328 1.00 0.00 O ATOM 0 H SER A 83 1.654 1.689 -6.509 1.00 0.00 H new ATOM 0 HA SER A 83 1.276 -0.673 -4.927 1.00 0.00 H new ATOM 0 HB2 SER A 83 -0.717 0.001 -5.879 1.00 0.00 H new ATOM 0 HB3 SER A 83 0.052 0.641 -7.317 1.00 0.00 H new ATOM 0 HG SER A 83 0.209 -2.147 -6.930 1.00 0.00 H new ATOM 1223 N ASN A 84 3.475 -0.886 -7.095 1.00 0.00 N ATOM 1224 CA ASN A 84 4.402 -1.747 -7.819 1.00 0.00 C ATOM 1225 C ASN A 84 5.495 -2.271 -6.893 1.00 0.00 C ATOM 1226 O ASN A 84 6.293 -3.126 -7.278 1.00 0.00 O ATOM 1227 CB ASN A 84 5.030 -0.985 -8.988 1.00 0.00 C ATOM 1228 CG ASN A 84 4.050 -0.757 -10.123 1.00 0.00 C ATOM 1229 OD1 ASN A 84 4.013 -1.519 -11.089 1.00 0.00 O ATOM 1230 ND2 ASN A 84 3.251 0.298 -10.010 1.00 0.00 N ATOM 0 H ASN A 84 3.819 0.060 -6.930 1.00 0.00 H new ATOM 0 HA ASN A 84 3.841 -2.598 -8.207 1.00 0.00 H new ATOM 0 HB2 ASN A 84 5.401 -0.023 -8.634 1.00 0.00 H new ATOM 0 HB3 ASN A 84 5.890 -1.541 -9.361 1.00 0.00 H new ATOM 0 HD21 ASN A 84 2.571 0.504 -10.742 1.00 0.00 H new ATOM 0 HD22 ASN A 84 3.317 0.902 -9.191 1.00 0.00 H new ATOM 1237 N TYR A 85 5.525 -1.752 -5.671 1.00 0.00 N ATOM 1238 CA TYR A 85 6.522 -2.166 -4.689 1.00 0.00 C ATOM 1239 C TYR A 85 5.925 -3.153 -3.691 1.00 0.00 C ATOM 1240 O TYR A 85 6.565 -3.520 -2.705 1.00 0.00 O ATOM 1241 CB TYR A 85 7.076 -0.947 -3.949 1.00 0.00 C ATOM 1242 CG TYR A 85 8.276 -0.323 -4.625 1.00 0.00 C ATOM 1243 CD1 TYR A 85 8.159 0.289 -5.866 1.00 0.00 C ATOM 1244 CD2 TYR A 85 9.527 -0.345 -4.021 1.00 0.00 C ATOM 1245 CE1 TYR A 85 9.253 0.860 -6.487 1.00 0.00 C ATOM 1246 CE2 TYR A 85 10.626 0.225 -4.634 1.00 0.00 C ATOM 1247 CZ TYR A 85 10.484 0.826 -5.867 1.00 0.00 C ATOM 1248 OH TYR A 85 11.576 1.394 -6.482 1.00 0.00 O ATOM 0 H TYR A 85 4.871 -1.044 -5.336 1.00 0.00 H new ATOM 0 HA TYR A 85 7.335 -2.661 -5.220 1.00 0.00 H new ATOM 0 HB2 TYR A 85 6.289 -0.198 -3.860 1.00 0.00 H new ATOM 0 HB3 TYR A 85 7.352 -1.241 -2.936 1.00 0.00 H new ATOM 0 HD1 TYR A 85 7.196 0.319 -6.354 1.00 0.00 H new ATOM 0 HD2 TYR A 85 9.642 -0.816 -3.056 1.00 0.00 H new ATOM 0 HE1 TYR A 85 9.145 1.331 -7.453 1.00 0.00 H new ATOM 0 HE2 TYR A 85 11.591 0.200 -4.150 1.00 0.00 H new ATOM 0 HH TYR A 85 12.366 1.285 -5.912 1.00 0.00 H new ATOM 1258 N VAL A 86 4.695 -3.581 -3.954 1.00 0.00 N ATOM 1259 CA VAL A 86 4.011 -4.528 -3.081 1.00 0.00 C ATOM 1260 C VAL A 86 3.310 -5.614 -3.890 1.00 0.00 C ATOM 1261 O VAL A 86 2.909 -5.392 -5.033 1.00 0.00 O ATOM 1262 CB VAL A 86 2.976 -3.820 -2.187 1.00 0.00 C ATOM 1263 CG1 VAL A 86 3.635 -2.709 -1.384 1.00 0.00 C ATOM 1264 CG2 VAL A 86 1.831 -3.274 -3.028 1.00 0.00 C ATOM 0 H VAL A 86 4.151 -3.287 -4.765 1.00 0.00 H new ATOM 0 HA VAL A 86 4.773 -4.985 -2.450 1.00 0.00 H new ATOM 0 HB VAL A 86 2.567 -4.548 -1.487 1.00 0.00 H new ATOM 0 HG11 VAL A 86 2.888 -2.220 -0.758 1.00 0.00 H new ATOM 0 HG12 VAL A 86 4.417 -3.131 -0.753 1.00 0.00 H new ATOM 0 HG13 VAL A 86 4.073 -1.979 -2.065 1.00 0.00 H new ATOM 0 HG21 VAL A 86 1.109 -2.777 -2.380 1.00 0.00 H new ATOM 0 HG22 VAL A 86 2.221 -2.559 -3.753 1.00 0.00 H new ATOM 0 HG23 VAL A 86 1.342 -4.094 -3.554 1.00 0.00 H new ATOM 1274 N LYS A 87 3.164 -6.790 -3.289 1.00 0.00 N ATOM 1275 CA LYS A 87 2.509 -7.912 -3.951 1.00 0.00 C ATOM 1276 C LYS A 87 1.529 -8.603 -3.009 1.00 0.00 C ATOM 1277 O LYS A 87 1.873 -8.933 -1.874 1.00 0.00 O ATOM 1278 CB LYS A 87 3.552 -8.917 -4.447 1.00 0.00 C ATOM 1279 CG LYS A 87 2.948 -10.135 -5.124 1.00 0.00 C ATOM 1280 CD LYS A 87 2.403 -9.794 -6.501 1.00 0.00 C ATOM 1281 CE LYS A 87 1.532 -10.914 -7.049 1.00 0.00 C ATOM 1282 NZ LYS A 87 1.023 -10.605 -8.414 1.00 0.00 N ATOM 0 H LYS A 87 3.491 -6.991 -2.344 1.00 0.00 H new ATOM 0 HA LYS A 87 1.952 -7.524 -4.804 1.00 0.00 H new ATOM 0 HB2 LYS A 87 4.222 -8.417 -5.147 1.00 0.00 H new ATOM 0 HB3 LYS A 87 4.159 -9.244 -3.603 1.00 0.00 H new ATOM 0 HG2 LYS A 87 3.704 -10.915 -5.214 1.00 0.00 H new ATOM 0 HG3 LYS A 87 2.147 -10.537 -4.504 1.00 0.00 H new ATOM 0 HD2 LYS A 87 1.822 -8.874 -6.446 1.00 0.00 H new ATOM 0 HD3 LYS A 87 3.231 -9.608 -7.185 1.00 0.00 H new ATOM 0 HE2 LYS A 87 2.106 -11.840 -7.077 1.00 0.00 H new ATOM 0 HE3 LYS A 87 0.690 -11.081 -6.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 0.434 -11.393 -8.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 0.454 -9.735 -8.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 1.826 -10.471 -9.062 1.00 0.00 H new ATOM 1296 N MET A 88 0.308 -8.820 -3.487 1.00 0.00 N ATOM 1297 CA MET A 88 -0.720 -9.475 -2.688 1.00 0.00 C ATOM 1298 C MET A 88 -0.157 -10.702 -1.977 1.00 0.00 C ATOM 1299 O MET A 88 0.545 -11.514 -2.580 1.00 0.00 O ATOM 1300 CB MET A 88 -1.902 -9.880 -3.570 1.00 0.00 C ATOM 1301 CG MET A 88 -2.966 -8.801 -3.694 1.00 0.00 C ATOM 1302 SD MET A 88 -2.499 -7.496 -4.847 1.00 0.00 S ATOM 1303 CE MET A 88 -3.672 -6.216 -4.402 1.00 0.00 C ATOM 0 H MET A 88 0.007 -8.552 -4.424 1.00 0.00 H new ATOM 0 HA MET A 88 -1.065 -8.767 -1.935 1.00 0.00 H new ATOM 0 HB2 MET A 88 -1.533 -10.131 -4.565 1.00 0.00 H new ATOM 0 HB3 MET A 88 -2.357 -10.782 -3.162 1.00 0.00 H new ATOM 0 HG2 MET A 88 -3.901 -9.254 -4.023 1.00 0.00 H new ATOM 0 HG3 MET A 88 -3.152 -8.364 -2.713 1.00 0.00 H new ATOM 0 HE1 MET A 88 -3.937 -5.641 -5.289 1.00 0.00 H new ATOM 0 HE2 MET A 88 -4.569 -6.674 -3.985 1.00 0.00 H new ATOM 0 HE3 MET A 88 -3.224 -5.554 -3.661 1.00 0.00 H new ATOM 1313 N THR A 89 -0.470 -10.832 -0.692 1.00 0.00 N ATOM 1314 CA THR A 89 0.006 -11.959 0.101 1.00 0.00 C ATOM 1315 C THR A 89 -0.924 -13.159 -0.037 1.00 0.00 C ATOM 1316 O THR A 89 -0.474 -14.305 -0.080 1.00 0.00 O ATOM 1317 CB THR A 89 0.127 -11.586 1.591 1.00 0.00 C ATOM 1318 OG1 THR A 89 -1.144 -11.161 2.094 1.00 0.00 O ATOM 1319 CG2 THR A 89 1.153 -10.481 1.790 1.00 0.00 C ATOM 0 H THR A 89 -1.051 -10.170 -0.178 1.00 0.00 H new ATOM 0 HA THR A 89 0.992 -12.221 -0.281 1.00 0.00 H new ATOM 0 HB THR A 89 0.457 -12.469 2.139 1.00 0.00 H new ATOM 0 HG1 THR A 89 -1.327 -10.247 1.790 1.00 0.00 H new ATOM 0 HG21 THR A 89 1.221 -10.234 2.850 1.00 0.00 H new ATOM 0 HG22 THR A 89 2.126 -10.819 1.433 1.00 0.00 H new ATOM 0 HG23 THR A 89 0.848 -9.597 1.230 1.00 0.00 H new ATOM 1327 N THR A 90 -2.224 -12.890 -0.107 1.00 0.00 N ATOM 1328 CA THR A 90 -3.217 -13.949 -0.240 1.00 0.00 C ATOM 1329 C THR A 90 -3.035 -15.012 0.837 1.00 0.00 C ATOM 1330 O THR A 90 -3.188 -16.205 0.577 1.00 0.00 O ATOM 1331 CB THR A 90 -3.142 -14.619 -1.625 1.00 0.00 C ATOM 1332 OG1 THR A 90 -1.797 -14.581 -2.115 1.00 0.00 O ATOM 1333 CG2 THR A 90 -4.067 -13.924 -2.612 1.00 0.00 C ATOM 0 H THR A 90 -2.614 -11.948 -0.074 1.00 0.00 H new ATOM 0 HA THR A 90 -4.195 -13.482 -0.123 1.00 0.00 H new ATOM 0 HB THR A 90 -3.461 -15.656 -1.521 1.00 0.00 H new ATOM 0 HG1 THR A 90 -1.197 -14.986 -1.455 1.00 0.00 H new ATOM 0 HG21 THR A 90 -3.997 -14.414 -3.583 1.00 0.00 H new ATOM 0 HG22 THR A 90 -5.094 -13.980 -2.250 1.00 0.00 H new ATOM 0 HG23 THR A 90 -3.774 -12.879 -2.711 1.00 0.00 H new ATOM 1341 N ASP A 91 -2.708 -14.572 2.047 1.00 0.00 N ATOM 1342 CA ASP A 91 -2.507 -15.486 3.165 1.00 0.00 C ATOM 1343 C ASP A 91 -3.749 -16.340 3.399 1.00 0.00 C ATOM 1344 O ASP A 91 -3.657 -17.558 3.557 1.00 0.00 O ATOM 1345 CB ASP A 91 -2.163 -14.706 4.435 1.00 0.00 C ATOM 1346 CG ASP A 91 -2.107 -15.593 5.663 1.00 0.00 C ATOM 1347 OD1 ASP A 91 -1.940 -16.821 5.501 1.00 0.00 O ATOM 1348 OD2 ASP A 91 -2.230 -15.061 6.785 1.00 0.00 O ATOM 0 H ASP A 91 -2.576 -13.587 2.279 1.00 0.00 H new ATOM 0 HA ASP A 91 -1.675 -16.146 2.917 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -1.201 -14.211 4.304 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -2.906 -13.923 4.589 1.00 0.00 H new ATOM 1353 N SER A 92 -4.910 -15.694 3.421 1.00 0.00 N ATOM 1354 CA SER A 92 -6.171 -16.393 3.640 1.00 0.00 C ATOM 1355 C SER A 92 -6.412 -17.433 2.549 1.00 0.00 C ATOM 1356 O SER A 92 -6.274 -17.144 1.361 1.00 0.00 O ATOM 1357 CB SER A 92 -7.331 -15.397 3.677 1.00 0.00 C ATOM 1358 OG SER A 92 -7.631 -14.915 2.379 1.00 0.00 O ATOM 0 H SER A 92 -5.004 -14.687 3.290 1.00 0.00 H new ATOM 0 HA SER A 92 -6.112 -16.906 4.600 1.00 0.00 H new ATOM 0 HB2 SER A 92 -8.212 -15.876 4.103 1.00 0.00 H new ATOM 0 HB3 SER A 92 -7.076 -14.561 4.329 1.00 0.00 H new ATOM 0 HG SER A 92 -8.377 -14.281 2.430 1.00 0.00 H new ATOM 1364 N SER A 93 -6.773 -18.643 2.964 1.00 0.00 N ATOM 1365 CA SER A 93 -7.031 -19.727 2.023 1.00 0.00 C ATOM 1366 C SER A 93 -8.227 -19.403 1.134 1.00 0.00 C ATOM 1367 O SER A 93 -8.097 -19.290 -0.084 1.00 0.00 O ATOM 1368 CB SER A 93 -7.281 -21.035 2.777 1.00 0.00 C ATOM 1369 OG SER A 93 -6.155 -21.397 3.558 1.00 0.00 O ATOM 0 H SER A 93 -6.893 -18.897 3.944 1.00 0.00 H new ATOM 0 HA SER A 93 -6.151 -19.842 1.390 1.00 0.00 H new ATOM 0 HB2 SER A 93 -8.154 -20.926 3.421 1.00 0.00 H new ATOM 0 HB3 SER A 93 -7.506 -21.831 2.067 1.00 0.00 H new ATOM 0 HG SER A 93 -6.341 -22.235 4.031 1.00 0.00 H new ATOM 1375 N GLY A 94 -9.394 -19.253 1.754 1.00 0.00 N ATOM 1376 CA GLY A 94 -10.598 -18.943 1.004 1.00 0.00 C ATOM 1377 C GLY A 94 -11.228 -17.633 1.435 1.00 0.00 C ATOM 1378 O GLY A 94 -10.601 -16.807 2.098 1.00 0.00 O ATOM 0 H GLY A 94 -9.527 -19.341 2.761 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -10.359 -18.895 -0.058 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -11.320 -19.749 1.132 1.00 0.00 H new ATOM 1382 N PRO A 95 -12.497 -17.429 1.053 1.00 0.00 N ATOM 1383 CA PRO A 95 -13.239 -16.211 1.392 1.00 0.00 C ATOM 1384 C PRO A 95 -13.570 -16.128 2.878 1.00 0.00 C ATOM 1385 O PRO A 95 -14.085 -17.081 3.463 1.00 0.00 O ATOM 1386 CB PRO A 95 -14.521 -16.335 0.565 1.00 0.00 C ATOM 1387 CG PRO A 95 -14.694 -17.799 0.351 1.00 0.00 C ATOM 1388 CD PRO A 95 -13.306 -18.371 0.262 1.00 0.00 C ATOM 0 HA PRO A 95 -12.663 -15.311 1.179 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -15.375 -15.908 1.092 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -14.433 -15.804 -0.383 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -15.250 -18.250 1.172 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -15.257 -17.996 -0.561 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -13.261 -19.381 0.670 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -12.961 -18.429 -0.770 1.00 0.00 H new ATOM 1396 N SER A 96 -13.271 -14.983 3.483 1.00 0.00 N ATOM 1397 CA SER A 96 -13.534 -14.778 4.903 1.00 0.00 C ATOM 1398 C SER A 96 -13.340 -16.073 5.685 1.00 0.00 C ATOM 1399 O SER A 96 -14.125 -16.398 6.575 1.00 0.00 O ATOM 1400 CB SER A 96 -14.956 -14.253 5.109 1.00 0.00 C ATOM 1401 OG SER A 96 -15.190 -13.094 4.328 1.00 0.00 O ATOM 0 H SER A 96 -12.847 -14.183 3.013 1.00 0.00 H new ATOM 0 HA SER A 96 -12.824 -14.040 5.275 1.00 0.00 H new ATOM 0 HB2 SER A 96 -15.675 -15.027 4.841 1.00 0.00 H new ATOM 0 HB3 SER A 96 -15.113 -14.023 6.163 1.00 0.00 H new ATOM 0 HG SER A 96 -16.106 -12.779 4.476 1.00 0.00 H new ATOM 1407 N SER A 97 -12.286 -16.810 5.345 1.00 0.00 N ATOM 1408 CA SER A 97 -11.989 -18.072 6.011 1.00 0.00 C ATOM 1409 C SER A 97 -11.660 -17.845 7.484 1.00 0.00 C ATOM 1410 O SER A 97 -10.928 -16.920 7.832 1.00 0.00 O ATOM 1411 CB SER A 97 -10.821 -18.776 5.318 1.00 0.00 C ATOM 1412 OG SER A 97 -9.596 -18.119 5.590 1.00 0.00 O ATOM 0 H SER A 97 -11.624 -16.554 4.612 1.00 0.00 H new ATOM 0 HA SER A 97 -12.874 -18.705 5.948 1.00 0.00 H new ATOM 0 HB2 SER A 97 -10.765 -19.811 5.655 1.00 0.00 H new ATOM 0 HB3 SER A 97 -10.993 -18.800 4.242 1.00 0.00 H new ATOM 0 HG SER A 97 -8.865 -18.589 5.137 1.00 0.00 H new ATOM 1418 N GLY A 98 -12.207 -18.698 8.344 1.00 0.00 N ATOM 1419 CA GLY A 98 -11.961 -18.574 9.769 1.00 0.00 C ATOM 1420 C GLY A 98 -12.042 -19.906 10.489 1.00 0.00 C ATOM 1421 O GLY A 98 -11.105 -20.703 10.440 1.00 0.00 O ATOM 0 H GLY A 98 -12.816 -19.472 8.080 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -10.975 -18.138 9.928 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -12.687 -17.886 10.202 1.00 0.00 H new TER 1425 GLY A 98