USER MOD reduce.3.24.130724 H: found=0, std=0, add=689, rem=0, adj=30 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 54 SER OG : rot -25:sc=-0.00685 USER MOD Set 1.2: A 57 GLN : amide:sc= -1.26 K(o=-1.3,f=-5!) USER MOD Set 2.1: A 46 ASN :FLIP amide:sc= -3.26! C(o=-15!,f=-10!) USER MOD Set 2.2: A 47 ASN : amide:sc= -7! C(o=-10!,f=-20!) USER MOD Set 3.1: A 40 MET CE :methyl -108:sc= -3.45! (180deg=-6.27!) USER MOD Set 3.2: A 41 TYR OH : rot 30:sc= -0.0852 USER MOD Single : A 1 GLY N :NH3+ -107:sc= 0.0062 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 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 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= -0.922 K(o=-0.92,f=-5!) USER MOD Single : A 9 LYS NZ :NH3+ -167:sc= 0.212 (180deg=0.157) USER MOD Single : A 15 SER OG : rot 28:sc= 0.535 USER MOD Single : A 16 HIS : no HD1:sc= 0 X(o=0,f=-0.076) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 49:sc= 0.48 USER MOD Single : A 32 HIS :FLIP no HD1:sc= -0.627 F(o=-1.1,f=-0.63) USER MOD Single : A 35 CYS SG : rot 180:sc= -1.81 USER MOD Single : A 36 GLN : amide:sc= -0.0161 K(o=-0.016,f=-0.88) USER MOD Single : A 43 TYR OH : rot -112:sc= 0.266 USER MOD Single : A 52 SER OG : rot 33:sc= 0.607 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= -2.78 K(o=-2.8,f=-11!) USER MOD Single : A 62 MET CE :methyl -121:sc= -0.092 (180deg=-1.99!) USER MOD Single : A 63 ASN : amide:sc=-0.00264 X(o=-0.0026,f=0) USER MOD Single : A 64 LYS NZ :NH3+ 165:sc= -0.0061 (180deg=-0.134) USER MOD Single : A 71 GLN : amide:sc= 0.241 K(o=0.24,f=-2.1!) USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot -57:sc= 0.288 USER MOD Single : A 84 ASN : amide:sc= -3.73! C(o=-3.7!,f=-3.9!) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ -159:sc= -0.0379 (180deg=-0.328) USER MOD Single : A 88 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot -66:sc= 1.19 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 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 5.859 25.317 6.710 1.00 0.00 N ATOM 2 CA GLY A 1 4.706 24.499 6.382 1.00 0.00 C ATOM 3 C GLY A 1 3.583 25.304 5.759 1.00 0.00 C ATOM 4 O GLY A 1 3.321 26.436 6.165 1.00 0.00 O ATOM 0 H1 GLY A 1 6.627 25.120 6.037 1.00 0.00 H new ATOM 0 H2 GLY A 1 5.599 26.322 6.653 1.00 0.00 H new ATOM 0 H3 GLY A 1 6.178 25.096 7.675 1.00 0.00 H new ATOM 0 HA2 GLY A 1 5.008 23.710 5.694 1.00 0.00 H new ATOM 0 HA3 GLY A 1 4.341 24.011 7.286 1.00 0.00 H new ATOM 8 N SER A 2 2.918 24.719 4.767 1.00 0.00 N ATOM 9 CA SER A 2 1.820 25.391 4.082 1.00 0.00 C ATOM 10 C SER A 2 0.842 24.377 3.498 1.00 0.00 C ATOM 11 O SER A 2 1.204 23.231 3.232 1.00 0.00 O ATOM 12 CB SER A 2 2.360 26.294 2.971 1.00 0.00 C ATOM 13 OG SER A 2 2.949 25.529 1.934 1.00 0.00 O ATOM 0 H SER A 2 3.121 23.781 4.420 1.00 0.00 H new ATOM 0 HA SER A 2 1.290 26.003 4.812 1.00 0.00 H new ATOM 0 HB2 SER A 2 1.550 26.900 2.565 1.00 0.00 H new ATOM 0 HB3 SER A 2 3.098 26.982 3.384 1.00 0.00 H new ATOM 0 HG SER A 2 3.285 26.129 1.235 1.00 0.00 H new ATOM 19 N SER A 3 -0.400 24.807 3.302 1.00 0.00 N ATOM 20 CA SER A 3 -1.434 23.937 2.753 1.00 0.00 C ATOM 21 C SER A 3 -1.709 24.275 1.291 1.00 0.00 C ATOM 22 O SER A 3 -1.416 25.378 0.832 1.00 0.00 O ATOM 23 CB SER A 3 -2.722 24.061 3.569 1.00 0.00 C ATOM 24 OG SER A 3 -3.640 23.036 3.232 1.00 0.00 O ATOM 0 H SER A 3 -0.715 25.753 3.515 1.00 0.00 H new ATOM 0 HA SER A 3 -1.076 22.909 2.808 1.00 0.00 H new ATOM 0 HB2 SER A 3 -2.489 24.009 4.632 1.00 0.00 H new ATOM 0 HB3 SER A 3 -3.178 25.035 3.390 1.00 0.00 H new ATOM 0 HG SER A 3 -4.454 23.137 3.768 1.00 0.00 H new ATOM 30 N GLY A 4 -2.276 23.317 0.565 1.00 0.00 N ATOM 31 CA GLY A 4 -2.582 23.531 -0.837 1.00 0.00 C ATOM 32 C GLY A 4 -2.106 22.391 -1.716 1.00 0.00 C ATOM 33 O GLY A 4 -1.003 22.437 -2.260 1.00 0.00 O ATOM 0 H GLY A 4 -2.529 22.396 0.923 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -3.659 23.652 -0.956 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -2.118 24.460 -1.169 1.00 0.00 H new ATOM 37 N SER A 5 -2.940 21.365 -1.853 1.00 0.00 N ATOM 38 CA SER A 5 -2.596 20.205 -2.667 1.00 0.00 C ATOM 39 C SER A 5 -3.574 20.047 -3.828 1.00 0.00 C ATOM 40 O SER A 5 -4.744 19.720 -3.628 1.00 0.00 O ATOM 41 CB SER A 5 -2.593 18.937 -1.811 1.00 0.00 C ATOM 42 OG SER A 5 -1.421 18.859 -1.020 1.00 0.00 O ATOM 0 H SER A 5 -3.858 21.313 -1.411 1.00 0.00 H new ATOM 0 HA SER A 5 -1.597 20.361 -3.075 1.00 0.00 H new ATOM 0 HB2 SER A 5 -3.472 18.928 -1.166 1.00 0.00 H new ATOM 0 HB3 SER A 5 -2.660 18.060 -2.455 1.00 0.00 H new ATOM 0 HG SER A 5 -1.444 18.041 -0.481 1.00 0.00 H new ATOM 48 N SER A 6 -3.085 20.281 -5.041 1.00 0.00 N ATOM 49 CA SER A 6 -3.915 20.169 -6.235 1.00 0.00 C ATOM 50 C SER A 6 -3.518 18.949 -7.060 1.00 0.00 C ATOM 51 O SER A 6 -4.353 18.103 -7.380 1.00 0.00 O ATOM 52 CB SER A 6 -3.796 21.435 -7.086 1.00 0.00 C ATOM 53 OG SER A 6 -4.711 21.410 -8.168 1.00 0.00 O ATOM 0 H SER A 6 -2.118 20.549 -5.223 1.00 0.00 H new ATOM 0 HA SER A 6 -4.951 20.050 -5.917 1.00 0.00 H new ATOM 0 HB2 SER A 6 -3.984 22.312 -6.467 1.00 0.00 H new ATOM 0 HB3 SER A 6 -2.779 21.526 -7.468 1.00 0.00 H new ATOM 0 HG SER A 6 -4.616 22.231 -8.695 1.00 0.00 H new ATOM 59 N GLY A 7 -2.236 18.865 -7.402 1.00 0.00 N ATOM 60 CA GLY A 7 -1.749 17.746 -8.187 1.00 0.00 C ATOM 61 C GLY A 7 -0.750 16.896 -7.428 1.00 0.00 C ATOM 62 O GLY A 7 -1.011 15.728 -7.141 1.00 0.00 O ATOM 0 H GLY A 7 -1.526 19.552 -7.149 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -2.592 17.126 -8.491 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -1.284 18.121 -9.099 1.00 0.00 H new ATOM 66 N GLN A 8 0.398 17.483 -7.103 1.00 0.00 N ATOM 67 CA GLN A 8 1.440 16.770 -6.374 1.00 0.00 C ATOM 68 C GLN A 8 0.998 16.471 -4.945 1.00 0.00 C ATOM 69 O GLN A 8 0.451 17.335 -4.260 1.00 0.00 O ATOM 70 CB GLN A 8 2.733 17.588 -6.361 1.00 0.00 C ATOM 71 CG GLN A 8 3.946 16.800 -5.894 1.00 0.00 C ATOM 72 CD GLN A 8 4.194 15.560 -6.730 1.00 0.00 C ATOM 73 OE1 GLN A 8 3.462 14.574 -6.632 1.00 0.00 O ATOM 74 NE2 GLN A 8 5.230 15.602 -7.560 1.00 0.00 N ATOM 0 H GLN A 8 0.629 18.449 -7.333 1.00 0.00 H new ATOM 0 HA GLN A 8 1.622 15.824 -6.883 1.00 0.00 H new ATOM 0 HB2 GLN A 8 2.922 17.969 -7.364 1.00 0.00 H new ATOM 0 HB3 GLN A 8 2.600 18.453 -5.711 1.00 0.00 H new ATOM 0 HG2 GLN A 8 4.827 17.441 -5.931 1.00 0.00 H new ATOM 0 HG3 GLN A 8 3.807 16.510 -4.853 1.00 0.00 H new ATOM 0 HE21 GLN A 8 5.810 16.439 -7.609 1.00 0.00 H new ATOM 0 HE22 GLN A 8 5.445 14.797 -8.148 1.00 0.00 H new ATOM 83 N LYS A 9 1.239 15.242 -4.502 1.00 0.00 N ATOM 84 CA LYS A 9 0.868 14.828 -3.154 1.00 0.00 C ATOM 85 C LYS A 9 -0.630 15.004 -2.924 1.00 0.00 C ATOM 86 O LYS A 9 -1.056 15.451 -1.860 1.00 0.00 O ATOM 87 CB LYS A 9 1.652 15.634 -2.116 1.00 0.00 C ATOM 88 CG LYS A 9 2.992 15.018 -1.753 1.00 0.00 C ATOM 89 CD LYS A 9 3.986 16.074 -1.298 1.00 0.00 C ATOM 90 CE LYS A 9 5.417 15.661 -1.605 1.00 0.00 C ATOM 91 NZ LYS A 9 5.931 14.668 -0.622 1.00 0.00 N ATOM 0 H LYS A 9 1.690 14.515 -5.057 1.00 0.00 H new ATOM 0 HA LYS A 9 1.113 13.772 -3.045 1.00 0.00 H new ATOM 0 HB2 LYS A 9 1.816 16.641 -2.499 1.00 0.00 H new ATOM 0 HB3 LYS A 9 1.050 15.731 -1.213 1.00 0.00 H new ATOM 0 HG2 LYS A 9 2.853 14.283 -0.961 1.00 0.00 H new ATOM 0 HG3 LYS A 9 3.394 14.486 -2.615 1.00 0.00 H new ATOM 0 HD2 LYS A 9 3.765 17.020 -1.792 1.00 0.00 H new ATOM 0 HD3 LYS A 9 3.876 16.241 -0.226 1.00 0.00 H new ATOM 0 HE2 LYS A 9 5.465 15.237 -2.608 1.00 0.00 H new ATOM 0 HE3 LYS A 9 6.058 16.542 -1.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 6.962 14.577 -0.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 5.708 14.987 0.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 5.483 13.745 -0.794 1.00 0.00 H new ATOM 105 N GLY A 10 -1.424 14.647 -3.929 1.00 0.00 N ATOM 106 CA GLY A 10 -2.866 14.772 -3.815 1.00 0.00 C ATOM 107 C GLY A 10 -3.541 13.446 -3.526 1.00 0.00 C ATOM 108 O GLY A 10 -4.325 12.952 -4.335 1.00 0.00 O ATOM 0 H GLY A 10 -1.095 14.274 -4.819 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -3.105 15.479 -3.020 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -3.266 15.186 -4.741 1.00 0.00 H new ATOM 112 N TRP A 11 -3.236 12.869 -2.369 1.00 0.00 N ATOM 113 CA TRP A 11 -3.819 11.591 -1.976 1.00 0.00 C ATOM 114 C TRP A 11 -5.132 11.798 -1.230 1.00 0.00 C ATOM 115 O TRP A 11 -5.147 12.309 -0.110 1.00 0.00 O ATOM 116 CB TRP A 11 -2.838 10.808 -1.101 1.00 0.00 C ATOM 117 CG TRP A 11 -3.344 9.452 -0.709 1.00 0.00 C ATOM 118 CD1 TRP A 11 -4.016 9.127 0.434 1.00 0.00 C ATOM 119 CD2 TRP A 11 -3.215 8.240 -1.460 1.00 0.00 C ATOM 120 NE1 TRP A 11 -4.313 7.786 0.439 1.00 0.00 N ATOM 121 CE2 TRP A 11 -3.833 7.219 -0.712 1.00 0.00 C ATOM 122 CE3 TRP A 11 -2.639 7.918 -2.692 1.00 0.00 C ATOM 123 CZ2 TRP A 11 -3.890 5.901 -1.156 1.00 0.00 C ATOM 124 CZ3 TRP A 11 -2.696 6.609 -3.132 1.00 0.00 C ATOM 125 CH2 TRP A 11 -3.318 5.614 -2.366 1.00 0.00 C ATOM 0 H TRP A 11 -2.589 13.265 -1.687 1.00 0.00 H new ATOM 0 HA TRP A 11 -4.024 11.019 -2.881 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -1.895 10.695 -1.636 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -2.627 11.384 -0.200 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -4.276 9.822 1.219 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -4.811 7.292 1.180 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -2.158 8.678 -3.289 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -4.368 5.132 -0.567 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -2.254 6.349 -4.082 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -3.347 4.600 -2.738 1.00 0.00 H new ATOM 136 N PHE A 12 -6.233 11.398 -1.857 1.00 0.00 N ATOM 137 CA PHE A 12 -7.552 11.541 -1.251 1.00 0.00 C ATOM 138 C PHE A 12 -8.248 10.187 -1.138 1.00 0.00 C ATOM 139 O PHE A 12 -8.466 9.488 -2.127 1.00 0.00 O ATOM 140 CB PHE A 12 -8.413 12.502 -2.074 1.00 0.00 C ATOM 141 CG PHE A 12 -7.899 13.913 -2.077 1.00 0.00 C ATOM 142 CD1 PHE A 12 -6.954 14.318 -3.006 1.00 0.00 C ATOM 143 CD2 PHE A 12 -8.360 14.835 -1.151 1.00 0.00 C ATOM 144 CE1 PHE A 12 -6.479 15.616 -3.013 1.00 0.00 C ATOM 145 CE2 PHE A 12 -7.889 16.134 -1.153 1.00 0.00 C ATOM 146 CZ PHE A 12 -6.947 16.525 -2.084 1.00 0.00 C ATOM 0 H PHE A 12 -6.238 10.972 -2.784 1.00 0.00 H new ATOM 0 HA PHE A 12 -7.422 11.948 -0.248 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -8.466 12.141 -3.101 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -9.429 12.495 -1.680 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -6.584 13.611 -3.734 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -9.096 14.535 -0.419 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -5.743 15.919 -3.743 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -8.257 16.843 -0.427 1.00 0.00 H new ATOM 0 HZ PHE A 12 -6.577 17.540 -2.086 1.00 0.00 H new ATOM 156 N PRO A 13 -8.605 9.808 0.098 1.00 0.00 N ATOM 157 CA PRO A 13 -9.281 8.536 0.372 1.00 0.00 C ATOM 158 C PRO A 13 -10.712 8.516 -0.153 1.00 0.00 C ATOM 159 O PRO A 13 -11.222 9.529 -0.633 1.00 0.00 O ATOM 160 CB PRO A 13 -9.271 8.451 1.900 1.00 0.00 C ATOM 161 CG PRO A 13 -9.192 9.866 2.358 1.00 0.00 C ATOM 162 CD PRO A 13 -8.376 10.591 1.324 1.00 0.00 C ATOM 0 HA PRO A 13 -8.786 7.698 -0.118 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -10.171 7.963 2.275 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -8.421 7.871 2.259 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -10.186 10.303 2.447 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -8.725 9.933 3.341 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -8.702 11.625 1.207 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -7.320 10.618 1.592 1.00 0.00 H new ATOM 170 N ALA A 14 -11.356 7.357 -0.059 1.00 0.00 N ATOM 171 CA ALA A 14 -12.730 7.207 -0.523 1.00 0.00 C ATOM 172 C ALA A 14 -13.723 7.555 0.581 1.00 0.00 C ATOM 173 O ALA A 14 -14.754 6.900 0.731 1.00 0.00 O ATOM 174 CB ALA A 14 -12.966 5.788 -1.020 1.00 0.00 C ATOM 0 H ALA A 14 -10.948 6.509 0.334 1.00 0.00 H new ATOM 0 HA ALA A 14 -12.887 7.901 -1.349 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -13.996 5.689 -1.364 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -12.286 5.574 -1.845 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -12.785 5.083 -0.208 1.00 0.00 H new ATOM 180 N SER A 15 -13.404 8.590 1.352 1.00 0.00 N ATOM 181 CA SER A 15 -14.267 9.022 2.445 1.00 0.00 C ATOM 182 C SER A 15 -14.786 10.436 2.201 1.00 0.00 C ATOM 183 O SER A 15 -14.012 11.390 2.129 1.00 0.00 O ATOM 184 CB SER A 15 -13.509 8.967 3.773 1.00 0.00 C ATOM 185 OG SER A 15 -12.403 9.854 3.766 1.00 0.00 O ATOM 0 H SER A 15 -12.555 9.144 1.240 1.00 0.00 H new ATOM 0 HA SER A 15 -15.119 8.344 2.492 1.00 0.00 H new ATOM 0 HB2 SER A 15 -14.182 9.226 4.590 1.00 0.00 H new ATOM 0 HB3 SER A 15 -13.162 7.950 3.956 1.00 0.00 H new ATOM 0 HG SER A 15 -12.588 10.603 3.162 1.00 0.00 H new ATOM 191 N HIS A 16 -16.103 10.562 2.075 1.00 0.00 N ATOM 192 CA HIS A 16 -16.728 11.859 1.839 1.00 0.00 C ATOM 193 C HIS A 16 -17.414 12.369 3.103 1.00 0.00 C ATOM 194 O HIS A 16 -18.440 11.834 3.523 1.00 0.00 O ATOM 195 CB HIS A 16 -17.742 11.760 0.698 1.00 0.00 C ATOM 196 CG HIS A 16 -18.340 13.079 0.314 1.00 0.00 C ATOM 197 ND1 HIS A 16 -17.615 14.251 0.272 1.00 0.00 N ATOM 198 CD2 HIS A 16 -19.602 13.405 -0.050 1.00 0.00 C ATOM 199 CE1 HIS A 16 -18.405 15.242 -0.099 1.00 0.00 C ATOM 200 NE2 HIS A 16 -19.616 14.756 -0.301 1.00 0.00 N ATOM 0 H HIS A 16 -16.758 9.782 2.132 1.00 0.00 H new ATOM 0 HA HIS A 16 -15.947 12.566 1.560 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -17.255 11.323 -0.174 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -18.541 11.079 0.991 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -20.441 12.730 -0.129 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -18.111 16.274 -0.217 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -20.430 15.296 -0.596 1.00 0.00 H new ATOM 209 N VAL A 17 -16.840 13.406 3.704 1.00 0.00 N ATOM 210 CA VAL A 17 -17.397 13.988 4.920 1.00 0.00 C ATOM 211 C VAL A 17 -17.886 15.411 4.673 1.00 0.00 C ATOM 212 O VAL A 17 -17.172 16.234 4.100 1.00 0.00 O ATOM 213 CB VAL A 17 -16.361 14.003 6.060 1.00 0.00 C ATOM 214 CG1 VAL A 17 -16.930 14.696 7.289 1.00 0.00 C ATOM 215 CG2 VAL A 17 -15.916 12.587 6.393 1.00 0.00 C ATOM 0 H VAL A 17 -15.990 13.860 3.369 1.00 0.00 H new ATOM 0 HA VAL A 17 -18.240 13.363 5.214 1.00 0.00 H new ATOM 0 HB VAL A 17 -15.488 14.565 5.728 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -16.184 14.697 8.084 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -17.194 15.723 7.038 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -17.820 14.165 7.627 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -15.184 12.616 7.200 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -16.779 11.999 6.706 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -15.466 12.130 5.512 1.00 0.00 H new ATOM 225 N LYS A 18 -19.108 15.694 5.111 1.00 0.00 N ATOM 226 CA LYS A 18 -19.694 17.019 4.940 1.00 0.00 C ATOM 227 C LYS A 18 -19.117 18.004 5.952 1.00 0.00 C ATOM 228 O LYS A 18 -19.660 18.177 7.044 1.00 0.00 O ATOM 229 CB LYS A 18 -21.215 16.949 5.090 1.00 0.00 C ATOM 230 CG LYS A 18 -21.922 16.381 3.871 1.00 0.00 C ATOM 231 CD LYS A 18 -23.404 16.175 4.131 1.00 0.00 C ATOM 232 CE LYS A 18 -24.161 15.882 2.844 1.00 0.00 C ATOM 233 NZ LYS A 18 -24.540 17.131 2.127 1.00 0.00 N ATOM 0 H LYS A 18 -19.712 15.024 5.587 1.00 0.00 H new ATOM 0 HA LYS A 18 -19.450 17.371 3.938 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -21.458 16.337 5.958 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -21.598 17.950 5.288 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -21.791 17.056 3.026 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -21.465 15.431 3.594 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -23.540 15.350 4.830 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -23.819 17.065 4.604 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -23.544 15.262 2.193 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -25.059 15.308 3.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -25.054 16.889 1.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -25.149 17.711 2.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -23.682 17.667 1.885 1.00 0.00 H new ATOM 247 N LEU A 19 -18.016 18.647 5.582 1.00 0.00 N ATOM 248 CA LEU A 19 -17.366 19.617 6.458 1.00 0.00 C ATOM 249 C LEU A 19 -18.153 20.923 6.502 1.00 0.00 C ATOM 250 O LEU A 19 -18.563 21.449 5.466 1.00 0.00 O ATOM 251 CB LEU A 19 -15.937 19.885 5.983 1.00 0.00 C ATOM 252 CG LEU A 19 -14.914 18.788 6.283 1.00 0.00 C ATOM 253 CD1 LEU A 19 -14.863 17.780 5.145 1.00 0.00 C ATOM 254 CD2 LEU A 19 -13.538 19.393 6.523 1.00 0.00 C ATOM 0 H LEU A 19 -17.554 18.515 4.682 1.00 0.00 H new ATOM 0 HA LEU A 19 -17.335 19.198 7.464 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -15.958 20.050 4.906 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -15.591 20.812 6.440 1.00 0.00 H new ATOM 0 HG LEU A 19 -15.224 18.267 7.189 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -14.130 17.007 5.376 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -15.845 17.323 5.019 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -14.578 18.286 4.223 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -12.823 18.598 6.735 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -13.221 19.939 5.635 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -13.584 20.076 7.372 1.00 0.00 H new ATOM 266 N LEU A 20 -18.357 21.443 7.707 1.00 0.00 N ATOM 267 CA LEU A 20 -19.093 22.691 7.887 1.00 0.00 C ATOM 268 C LEU A 20 -18.319 23.655 8.780 1.00 0.00 C ATOM 269 O LEU A 20 -18.755 23.981 9.883 1.00 0.00 O ATOM 270 CB LEU A 20 -20.470 22.411 8.492 1.00 0.00 C ATOM 271 CG LEU A 20 -20.484 21.572 9.770 1.00 0.00 C ATOM 272 CD1 LEU A 20 -21.782 21.784 10.533 1.00 0.00 C ATOM 273 CD2 LEU A 20 -20.289 20.099 9.444 1.00 0.00 C ATOM 0 H LEU A 20 -18.024 21.021 8.574 1.00 0.00 H new ATOM 0 HA LEU A 20 -19.220 23.154 6.908 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -20.953 23.365 8.702 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -21.078 21.905 7.742 1.00 0.00 H new ATOM 0 HG LEU A 20 -19.657 21.895 10.403 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -21.774 21.179 11.440 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -21.879 22.836 10.800 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -22.624 21.489 9.907 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -20.302 19.518 10.366 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -21.094 19.761 8.791 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -19.332 19.961 8.941 1.00 0.00 H new ATOM 285 N GLY A 21 -17.168 24.110 8.294 1.00 0.00 N ATOM 286 CA GLY A 21 -16.352 25.034 9.060 1.00 0.00 C ATOM 287 C GLY A 21 -15.044 24.416 9.512 1.00 0.00 C ATOM 288 O GLY A 21 -14.674 23.319 9.093 1.00 0.00 O ATOM 0 H GLY A 21 -16.786 23.855 7.383 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -16.143 25.917 8.455 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -16.912 25.371 9.933 1.00 0.00 H new ATOM 292 N PRO A 22 -14.319 25.130 10.386 1.00 0.00 N ATOM 293 CA PRO A 22 -13.032 24.664 10.912 1.00 0.00 C ATOM 294 C PRO A 22 -13.188 23.479 11.859 1.00 0.00 C ATOM 295 O PRO A 22 -12.211 23.001 12.436 1.00 0.00 O ATOM 296 CB PRO A 22 -12.496 25.884 11.666 1.00 0.00 C ATOM 297 CG PRO A 22 -13.710 26.663 12.039 1.00 0.00 C ATOM 298 CD PRO A 22 -14.699 26.445 10.928 1.00 0.00 C ATOM 0 HA PRO A 22 -12.371 24.310 10.120 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -11.930 25.586 12.549 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -11.825 26.472 11.040 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -14.114 26.324 12.993 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -13.475 27.722 12.151 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -15.725 26.446 11.297 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -14.632 27.226 10.171 1.00 0.00 H new ATOM 306 N SER A 23 -14.421 23.009 12.014 1.00 0.00 N ATOM 307 CA SER A 23 -14.705 21.882 12.894 1.00 0.00 C ATOM 308 C SER A 23 -14.456 20.558 12.177 1.00 0.00 C ATOM 309 O SER A 23 -14.414 20.503 10.948 1.00 0.00 O ATOM 310 CB SER A 23 -16.152 21.944 13.387 1.00 0.00 C ATOM 311 OG SER A 23 -17.063 21.879 12.304 1.00 0.00 O ATOM 0 H SER A 23 -15.240 23.391 11.541 1.00 0.00 H new ATOM 0 HA SER A 23 -14.034 21.944 13.751 1.00 0.00 H new ATOM 0 HB2 SER A 23 -16.341 21.120 14.075 1.00 0.00 H new ATOM 0 HB3 SER A 23 -16.310 22.867 13.945 1.00 0.00 H new ATOM 0 HG SER A 23 -17.981 21.919 12.646 1.00 0.00 H new ATOM 317 N SER A 24 -14.292 19.493 12.955 1.00 0.00 N ATOM 318 CA SER A 24 -14.044 18.169 12.397 1.00 0.00 C ATOM 319 C SER A 24 -14.047 17.107 13.492 1.00 0.00 C ATOM 320 O SER A 24 -13.255 17.168 14.432 1.00 0.00 O ATOM 321 CB SER A 24 -12.706 18.148 11.655 1.00 0.00 C ATOM 322 OG SER A 24 -12.567 16.964 10.888 1.00 0.00 O ATOM 0 H SER A 24 -14.326 19.521 13.974 1.00 0.00 H new ATOM 0 HA SER A 24 -14.846 17.943 11.694 1.00 0.00 H new ATOM 0 HB2 SER A 24 -12.635 19.018 11.003 1.00 0.00 H new ATOM 0 HB3 SER A 24 -11.888 18.219 12.372 1.00 0.00 H new ATOM 0 HG SER A 24 -11.705 16.975 10.422 1.00 0.00 H new ATOM 328 N GLU A 25 -14.945 16.135 13.363 1.00 0.00 N ATOM 329 CA GLU A 25 -15.052 15.060 14.343 1.00 0.00 C ATOM 330 C GLU A 25 -14.450 13.767 13.800 1.00 0.00 C ATOM 331 O GLU A 25 -14.180 13.650 12.605 1.00 0.00 O ATOM 332 CB GLU A 25 -16.516 14.833 14.725 1.00 0.00 C ATOM 333 CG GLU A 25 -17.361 14.273 13.593 1.00 0.00 C ATOM 334 CD GLU A 25 -17.313 12.759 13.523 1.00 0.00 C ATOM 335 OE1 GLU A 25 -18.054 12.105 14.286 1.00 0.00 O ATOM 336 OE2 GLU A 25 -16.533 12.228 12.704 1.00 0.00 O ATOM 0 H GLU A 25 -15.608 16.070 12.591 1.00 0.00 H new ATOM 0 HA GLU A 25 -14.494 15.355 15.231 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -16.560 14.149 15.572 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -16.947 15.778 15.056 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -18.394 14.594 13.723 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -17.015 14.688 12.646 1.00 0.00 H new ATOM 343 N ARG A 26 -14.243 12.800 14.687 1.00 0.00 N ATOM 344 CA ARG A 26 -13.672 11.516 14.299 1.00 0.00 C ATOM 345 C ARG A 26 -14.640 10.376 14.601 1.00 0.00 C ATOM 346 O ARG A 26 -14.826 9.997 15.756 1.00 0.00 O ATOM 347 CB ARG A 26 -12.347 11.282 15.028 1.00 0.00 C ATOM 348 CG ARG A 26 -11.161 11.969 14.372 1.00 0.00 C ATOM 349 CD ARG A 26 -10.048 12.235 15.374 1.00 0.00 C ATOM 350 NE ARG A 26 -10.359 13.359 16.252 1.00 0.00 N ATOM 351 CZ ARG A 26 -9.436 14.079 16.881 1.00 0.00 C ATOM 352 NH1 ARG A 26 -8.150 13.792 16.728 1.00 0.00 N ATOM 353 NH2 ARG A 26 -9.798 15.087 17.663 1.00 0.00 N ATOM 0 H ARG A 26 -14.462 12.881 15.680 1.00 0.00 H new ATOM 0 HA ARG A 26 -13.489 11.538 13.225 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -12.439 11.637 16.054 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -12.154 10.210 15.077 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -10.781 11.347 13.561 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -11.484 12.910 13.927 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -9.880 11.341 15.975 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -9.120 12.439 14.839 1.00 0.00 H new ATOM 0 HE ARG A 26 -11.339 13.605 16.390 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -7.868 13.018 16.127 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -7.443 14.346 17.212 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -10.786 15.311 17.782 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -9.088 15.639 18.145 1.00 0.00 H new ATOM 367 N ALA A 27 -15.254 9.835 13.554 1.00 0.00 N ATOM 368 CA ALA A 27 -16.202 8.738 13.707 1.00 0.00 C ATOM 369 C ALA A 27 -15.574 7.410 13.298 1.00 0.00 C ATOM 370 O ALA A 27 -16.264 6.502 12.834 1.00 0.00 O ATOM 371 CB ALA A 27 -17.456 9.006 12.887 1.00 0.00 C ATOM 0 H ALA A 27 -15.112 10.138 12.591 1.00 0.00 H new ATOM 0 HA ALA A 27 -16.477 8.671 14.760 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -18.155 8.179 13.011 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -17.923 9.930 13.228 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -17.189 9.101 11.835 1.00 0.00 H new ATOM 377 N THR A 28 -14.261 7.302 13.473 1.00 0.00 N ATOM 378 CA THR A 28 -13.540 6.086 13.120 1.00 0.00 C ATOM 379 C THR A 28 -13.009 5.382 14.364 1.00 0.00 C ATOM 380 O THR A 28 -11.916 5.671 14.852 1.00 0.00 O ATOM 381 CB THR A 28 -12.363 6.384 12.172 1.00 0.00 C ATOM 382 OG1 THR A 28 -11.531 7.406 12.731 1.00 0.00 O ATOM 383 CG2 THR A 28 -12.868 6.825 10.806 1.00 0.00 C ATOM 0 H THR A 28 -13.675 8.043 13.858 1.00 0.00 H new ATOM 0 HA THR A 28 -14.250 5.435 12.611 1.00 0.00 H new ATOM 0 HB THR A 28 -11.782 5.470 12.050 1.00 0.00 H new ATOM 0 HG1 THR A 28 -11.322 7.184 13.662 1.00 0.00 H new ATOM 0 HG21 THR A 28 -12.020 7.030 10.153 1.00 0.00 H new ATOM 0 HG22 THR A 28 -13.478 6.033 10.371 1.00 0.00 H new ATOM 0 HG23 THR A 28 -13.469 7.728 10.914 1.00 0.00 H new ATOM 391 N PRO A 29 -13.799 4.434 14.891 1.00 0.00 N ATOM 392 CA PRO A 29 -13.428 3.668 16.084 1.00 0.00 C ATOM 393 C PRO A 29 -12.279 2.701 15.818 1.00 0.00 C ATOM 394 O PRO A 29 -11.377 2.552 16.643 1.00 0.00 O ATOM 395 CB PRO A 29 -14.707 2.898 16.424 1.00 0.00 C ATOM 396 CG PRO A 29 -15.435 2.784 15.129 1.00 0.00 C ATOM 397 CD PRO A 29 -15.114 4.037 14.362 1.00 0.00 C ATOM 0 HA PRO A 29 -13.076 4.313 16.889 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -14.480 1.916 16.838 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -15.302 3.428 17.168 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -15.117 1.898 14.579 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -16.509 2.690 15.292 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -15.076 3.852 13.288 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -15.863 4.811 14.526 1.00 0.00 H new ATOM 405 N ALA A 30 -12.318 2.047 14.662 1.00 0.00 N ATOM 406 CA ALA A 30 -11.279 1.096 14.287 1.00 0.00 C ATOM 407 C ALA A 30 -11.006 1.144 12.787 1.00 0.00 C ATOM 408 O ALA A 30 -11.915 1.369 11.988 1.00 0.00 O ATOM 409 CB ALA A 30 -11.674 -0.312 14.709 1.00 0.00 C ATOM 0 H ALA A 30 -13.058 2.158 13.969 1.00 0.00 H new ATOM 0 HA ALA A 30 -10.362 1.375 14.806 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -10.889 -1.011 14.422 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -11.811 -0.343 15.790 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -12.606 -0.591 14.217 1.00 0.00 H new ATOM 415 N PHE A 31 -9.749 0.932 12.412 1.00 0.00 N ATOM 416 CA PHE A 31 -9.357 0.953 11.008 1.00 0.00 C ATOM 417 C PHE A 31 -9.480 -0.436 10.388 1.00 0.00 C ATOM 418 O PHE A 31 -9.000 -1.423 10.947 1.00 0.00 O ATOM 419 CB PHE A 31 -7.921 1.462 10.865 1.00 0.00 C ATOM 420 CG PHE A 31 -6.884 0.452 11.267 1.00 0.00 C ATOM 421 CD1 PHE A 31 -6.458 -0.517 10.373 1.00 0.00 C ATOM 422 CD2 PHE A 31 -6.336 0.471 12.539 1.00 0.00 C ATOM 423 CE1 PHE A 31 -5.504 -1.448 10.739 1.00 0.00 C ATOM 424 CE2 PHE A 31 -5.381 -0.457 12.911 1.00 0.00 C ATOM 425 CZ PHE A 31 -4.966 -1.418 12.011 1.00 0.00 C ATOM 0 H PHE A 31 -8.985 0.744 13.061 1.00 0.00 H new ATOM 0 HA PHE A 31 -10.029 1.629 10.479 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -7.749 1.755 9.829 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -7.799 2.358 11.474 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -6.877 -0.545 9.378 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -6.658 1.219 13.248 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -5.180 -2.197 10.032 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -4.960 -0.430 13.905 1.00 0.00 H new ATOM 0 HZ PHE A 31 -4.222 -2.145 12.301 1.00 0.00 H new ATOM 435 N HIS A 32 -10.127 -0.505 9.229 1.00 0.00 N ATOM 436 CA HIS A 32 -10.314 -1.772 8.532 1.00 0.00 C ATOM 437 C HIS A 32 -9.703 -1.720 7.135 1.00 0.00 C ATOM 438 O HIS A 32 -10.207 -1.047 6.235 1.00 0.00 O ATOM 439 CB HIS A 32 -11.802 -2.111 8.437 1.00 0.00 C ATOM 440 CG HIS A 32 -12.587 -1.139 7.612 1.00 0.00 C ATOM 441 ND1 HIS A 32 -12.807 0.187 7.777 1.00 0.00 N flip ATOM 442 CD2 HIS A 32 -13.259 -1.497 6.462 1.00 0.00 C flip ATOM 443 CE1 HIS A 32 -13.598 0.601 6.734 1.00 0.00 C flip ATOM 444 NE2 HIS A 32 -13.856 -0.433 5.955 1.00 0.00 N flip ATOM 0 H HIS A 32 -10.531 0.302 8.753 1.00 0.00 H new ATOM 0 HA HIS A 32 -9.807 -2.550 9.103 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -11.912 -3.108 8.011 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -12.223 -2.145 9.442 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -13.292 -2.491 6.042 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -13.952 1.609 6.576 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -14.421 -0.414 5.106 1.00 0.00 H new ATOM 453 N PRO A 33 -8.590 -2.444 6.948 1.00 0.00 N ATOM 454 CA PRO A 33 -7.885 -2.496 5.664 1.00 0.00 C ATOM 455 C PRO A 33 -8.674 -3.253 4.600 1.00 0.00 C ATOM 456 O PRO A 33 -9.622 -3.973 4.912 1.00 0.00 O ATOM 457 CB PRO A 33 -6.590 -3.240 5.999 1.00 0.00 C ATOM 458 CG PRO A 33 -6.926 -4.065 7.194 1.00 0.00 C ATOM 459 CD PRO A 33 -7.933 -3.269 7.977 1.00 0.00 C ATOM 0 HA PRO A 33 -7.725 -1.502 5.247 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -6.265 -3.863 5.166 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -5.778 -2.545 6.213 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -7.336 -5.031 6.899 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -6.037 -4.266 7.792 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -8.646 -3.915 8.489 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -7.454 -2.655 8.740 1.00 0.00 H new ATOM 467 N VAL A 34 -8.275 -3.085 3.343 1.00 0.00 N ATOM 468 CA VAL A 34 -8.944 -3.753 2.234 1.00 0.00 C ATOM 469 C VAL A 34 -8.277 -5.086 1.912 1.00 0.00 C ATOM 470 O VAL A 34 -8.945 -6.057 1.556 1.00 0.00 O ATOM 471 CB VAL A 34 -8.947 -2.874 0.969 1.00 0.00 C ATOM 472 CG1 VAL A 34 -7.573 -2.872 0.317 1.00 0.00 C ATOM 473 CG2 VAL A 34 -10.010 -3.353 -0.009 1.00 0.00 C ATOM 0 H VAL A 34 -7.492 -2.492 3.068 1.00 0.00 H new ATOM 0 HA VAL A 34 -9.973 -3.931 2.546 1.00 0.00 H new ATOM 0 HB VAL A 34 -9.186 -1.851 1.259 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -7.594 -2.246 -0.575 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -6.838 -2.479 1.019 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -7.301 -3.890 0.039 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -9.999 -2.721 -0.897 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -9.803 -4.384 -0.295 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -10.991 -3.297 0.463 1.00 0.00 H new ATOM 483 N CYS A 35 -6.955 -5.125 2.039 1.00 0.00 N ATOM 484 CA CYS A 35 -6.196 -6.339 1.761 1.00 0.00 C ATOM 485 C CYS A 35 -4.809 -6.269 2.392 1.00 0.00 C ATOM 486 O CYS A 35 -4.418 -5.239 2.941 1.00 0.00 O ATOM 487 CB CYS A 35 -6.072 -6.554 0.252 1.00 0.00 C ATOM 488 SG CYS A 35 -5.037 -5.332 -0.586 1.00 0.00 S ATOM 0 H CYS A 35 -6.387 -4.330 2.333 1.00 0.00 H new ATOM 0 HA CYS A 35 -6.733 -7.181 2.198 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -5.662 -7.547 0.070 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -7.068 -6.535 -0.190 1.00 0.00 H new ATOM 0 HG CYS A 35 -4.992 -5.600 -1.857 1.00 0.00 H new ATOM 494 N GLN A 36 -4.071 -7.371 2.311 1.00 0.00 N ATOM 495 CA GLN A 36 -2.728 -7.435 2.876 1.00 0.00 C ATOM 496 C GLN A 36 -1.697 -7.743 1.796 1.00 0.00 C ATOM 497 O GLN A 36 -1.824 -8.724 1.063 1.00 0.00 O ATOM 498 CB GLN A 36 -2.665 -8.496 3.976 1.00 0.00 C ATOM 499 CG GLN A 36 -1.651 -8.184 5.065 1.00 0.00 C ATOM 500 CD GLN A 36 -1.487 -9.323 6.052 1.00 0.00 C ATOM 501 OE1 GLN A 36 -2.211 -10.317 5.997 1.00 0.00 O ATOM 502 NE2 GLN A 36 -0.531 -9.183 6.963 1.00 0.00 N ATOM 0 H GLN A 36 -4.380 -8.232 1.860 1.00 0.00 H new ATOM 0 HA GLN A 36 -2.495 -6.461 3.307 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -3.652 -8.598 4.428 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -2.419 -9.458 3.527 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -0.687 -7.964 4.606 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -1.962 -7.287 5.600 1.00 0.00 H new ATOM 0 HE21 GLN A 36 0.046 -8.342 6.972 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -0.374 -9.917 7.654 1.00 0.00 H new ATOM 511 N VAL A 37 -0.674 -6.898 1.703 1.00 0.00 N ATOM 512 CA VAL A 37 0.380 -7.081 0.712 1.00 0.00 C ATOM 513 C VAL A 37 1.748 -7.180 1.378 1.00 0.00 C ATOM 514 O VAL A 37 1.876 -6.987 2.587 1.00 0.00 O ATOM 515 CB VAL A 37 0.399 -5.925 -0.306 1.00 0.00 C ATOM 516 CG1 VAL A 37 -0.952 -5.794 -0.991 1.00 0.00 C ATOM 517 CG2 VAL A 37 0.790 -4.622 0.375 1.00 0.00 C ATOM 0 H VAL A 37 -0.553 -6.081 2.302 1.00 0.00 H new ATOM 0 HA VAL A 37 0.165 -8.013 0.189 1.00 0.00 H new ATOM 0 HB VAL A 37 1.145 -6.148 -1.069 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -0.919 -4.972 -1.706 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -1.186 -6.721 -1.514 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -1.721 -5.594 -0.244 1.00 0.00 H new ATOM 0 HG21 VAL A 37 0.798 -3.816 -0.359 1.00 0.00 H new ATOM 0 HG22 VAL A 37 0.069 -4.391 1.159 1.00 0.00 H new ATOM 0 HG23 VAL A 37 1.783 -4.724 0.813 1.00 0.00 H new ATOM 527 N ILE A 38 2.767 -7.483 0.581 1.00 0.00 N ATOM 528 CA ILE A 38 4.126 -7.606 1.092 1.00 0.00 C ATOM 529 C ILE A 38 5.103 -6.781 0.263 1.00 0.00 C ATOM 530 O ILE A 38 4.958 -6.667 -0.954 1.00 0.00 O ATOM 531 CB ILE A 38 4.592 -9.074 1.104 1.00 0.00 C ATOM 532 CG1 ILE A 38 5.650 -9.288 2.188 1.00 0.00 C ATOM 533 CG2 ILE A 38 5.137 -9.467 -0.261 1.00 0.00 C ATOM 534 CD1 ILE A 38 5.650 -10.685 2.766 1.00 0.00 C ATOM 0 H ILE A 38 2.677 -7.648 -0.422 1.00 0.00 H new ATOM 0 HA ILE A 38 4.113 -7.229 2.115 1.00 0.00 H new ATOM 0 HB ILE A 38 3.736 -9.710 1.329 1.00 0.00 H new ATOM 0 HG12 ILE A 38 6.634 -9.077 1.770 1.00 0.00 H new ATOM 0 HG13 ILE A 38 5.484 -8.571 2.992 1.00 0.00 H new ATOM 0 HG21 ILE A 38 5.462 -10.507 -0.237 1.00 0.00 H new ATOM 0 HG22 ILE A 38 4.356 -9.348 -1.012 1.00 0.00 H new ATOM 0 HG23 ILE A 38 5.983 -8.828 -0.513 1.00 0.00 H new ATOM 0 HD11 ILE A 38 6.425 -10.763 3.528 1.00 0.00 H new ATOM 0 HD12 ILE A 38 4.678 -10.893 3.214 1.00 0.00 H new ATOM 0 HD13 ILE A 38 5.846 -11.407 1.973 1.00 0.00 H new ATOM 546 N ALA A 39 6.100 -6.208 0.929 1.00 0.00 N ATOM 547 CA ALA A 39 7.104 -5.396 0.253 1.00 0.00 C ATOM 548 C ALA A 39 8.011 -6.258 -0.619 1.00 0.00 C ATOM 549 O ALA A 39 8.538 -7.274 -0.168 1.00 0.00 O ATOM 550 CB ALA A 39 7.928 -4.621 1.270 1.00 0.00 C ATOM 0 H ALA A 39 6.234 -6.291 1.937 1.00 0.00 H new ATOM 0 HA ALA A 39 6.587 -4.688 -0.395 1.00 0.00 H new ATOM 0 HB1 ALA A 39 8.674 -4.019 0.751 1.00 0.00 H new ATOM 0 HB2 ALA A 39 7.273 -3.969 1.848 1.00 0.00 H new ATOM 0 HB3 ALA A 39 8.428 -5.319 1.941 1.00 0.00 H new ATOM 556 N MET A 40 8.187 -5.846 -1.870 1.00 0.00 N ATOM 557 CA MET A 40 9.031 -6.581 -2.805 1.00 0.00 C ATOM 558 C MET A 40 10.480 -6.117 -2.710 1.00 0.00 C ATOM 559 O MET A 40 11.408 -6.903 -2.902 1.00 0.00 O ATOM 560 CB MET A 40 8.519 -6.403 -4.236 1.00 0.00 C ATOM 561 CG MET A 40 7.077 -6.847 -4.426 1.00 0.00 C ATOM 562 SD MET A 40 6.220 -5.900 -5.697 1.00 0.00 S ATOM 563 CE MET A 40 7.434 -5.924 -7.014 1.00 0.00 C ATOM 0 H MET A 40 7.757 -5.007 -2.260 1.00 0.00 H new ATOM 0 HA MET A 40 8.989 -7.638 -2.540 1.00 0.00 H new ATOM 0 HB2 MET A 40 8.607 -5.353 -4.517 1.00 0.00 H new ATOM 0 HB3 MET A 40 9.157 -6.969 -4.914 1.00 0.00 H new ATOM 0 HG2 MET A 40 7.059 -7.904 -4.692 1.00 0.00 H new ATOM 0 HG3 MET A 40 6.543 -6.746 -3.481 1.00 0.00 H new ATOM 0 HE1 MET A 40 7.879 -4.934 -7.116 1.00 0.00 H new ATOM 0 HE2 MET A 40 8.212 -6.650 -6.778 1.00 0.00 H new ATOM 0 HE3 MET A 40 6.950 -6.203 -7.950 1.00 0.00 H new ATOM 573 N TYR A 41 10.668 -4.835 -2.414 1.00 0.00 N ATOM 574 CA TYR A 41 12.005 -4.266 -2.296 1.00 0.00 C ATOM 575 C TYR A 41 12.091 -3.318 -1.104 1.00 0.00 C ATOM 576 O TYR A 41 11.105 -2.680 -0.732 1.00 0.00 O ATOM 577 CB TYR A 41 12.381 -3.524 -3.580 1.00 0.00 C ATOM 578 CG TYR A 41 11.792 -4.139 -4.829 1.00 0.00 C ATOM 579 CD1 TYR A 41 12.324 -5.302 -5.372 1.00 0.00 C ATOM 580 CD2 TYR A 41 10.703 -3.557 -5.466 1.00 0.00 C ATOM 581 CE1 TYR A 41 11.789 -5.867 -6.514 1.00 0.00 C ATOM 582 CE2 TYR A 41 10.160 -4.116 -6.607 1.00 0.00 C ATOM 583 CZ TYR A 41 10.708 -5.270 -7.128 1.00 0.00 C ATOM 584 OH TYR A 41 10.171 -5.830 -8.264 1.00 0.00 O ATOM 0 H TYR A 41 9.911 -4.171 -2.252 1.00 0.00 H new ATOM 0 HA TYR A 41 12.708 -5.084 -2.137 1.00 0.00 H new ATOM 0 HB2 TYR A 41 12.047 -2.489 -3.503 1.00 0.00 H new ATOM 0 HB3 TYR A 41 13.467 -3.503 -3.673 1.00 0.00 H new ATOM 0 HD1 TYR A 41 13.170 -5.772 -4.893 1.00 0.00 H new ATOM 0 HD2 TYR A 41 10.273 -2.652 -5.062 1.00 0.00 H new ATOM 0 HE1 TYR A 41 12.215 -6.771 -6.923 1.00 0.00 H new ATOM 0 HE2 TYR A 41 9.312 -3.652 -7.088 1.00 0.00 H new ATOM 0 HH TYR A 41 10.301 -6.801 -8.243 1.00 0.00 H new ATOM 594 N ASP A 42 13.275 -3.231 -0.510 1.00 0.00 N ATOM 595 CA ASP A 42 13.492 -2.359 0.640 1.00 0.00 C ATOM 596 C ASP A 42 13.170 -0.910 0.291 1.00 0.00 C ATOM 597 O ASP A 42 13.993 -0.202 -0.290 1.00 0.00 O ATOM 598 CB ASP A 42 14.938 -2.471 1.126 1.00 0.00 C ATOM 599 CG ASP A 42 15.449 -3.898 1.101 1.00 0.00 C ATOM 600 OD1 ASP A 42 14.898 -4.738 1.842 1.00 0.00 O ATOM 601 OD2 ASP A 42 16.400 -4.174 0.340 1.00 0.00 O ATOM 0 H ASP A 42 14.100 -3.753 -0.805 1.00 0.00 H new ATOM 0 HA ASP A 42 12.823 -2.678 1.439 1.00 0.00 H new ATOM 0 HB2 ASP A 42 15.578 -1.848 0.500 1.00 0.00 H new ATOM 0 HB3 ASP A 42 15.008 -2.081 2.141 1.00 0.00 H new ATOM 606 N TYR A 43 11.967 -0.474 0.649 1.00 0.00 N ATOM 607 CA TYR A 43 11.534 0.890 0.371 1.00 0.00 C ATOM 608 C TYR A 43 11.987 1.841 1.475 1.00 0.00 C ATOM 609 O TYR A 43 11.814 1.561 2.661 1.00 0.00 O ATOM 610 CB TYR A 43 10.012 0.945 0.228 1.00 0.00 C ATOM 611 CG TYR A 43 9.518 2.164 -0.518 1.00 0.00 C ATOM 612 CD1 TYR A 43 9.654 3.437 0.024 1.00 0.00 C ATOM 613 CD2 TYR A 43 8.914 2.043 -1.763 1.00 0.00 C ATOM 614 CE1 TYR A 43 9.203 4.553 -0.654 1.00 0.00 C ATOM 615 CE2 TYR A 43 8.462 3.154 -2.448 1.00 0.00 C ATOM 616 CZ TYR A 43 8.609 4.407 -1.890 1.00 0.00 C ATOM 617 OH TYR A 43 8.158 5.516 -2.568 1.00 0.00 O ATOM 0 H TYR A 43 11.274 -1.046 1.132 1.00 0.00 H new ATOM 0 HA TYR A 43 11.992 1.206 -0.566 1.00 0.00 H new ATOM 0 HB2 TYR A 43 9.672 0.049 -0.291 1.00 0.00 H new ATOM 0 HB3 TYR A 43 9.561 0.929 1.220 1.00 0.00 H new ATOM 0 HD1 TYR A 43 10.120 3.555 0.991 1.00 0.00 H new ATOM 0 HD2 TYR A 43 8.796 1.064 -2.203 1.00 0.00 H new ATOM 0 HE1 TYR A 43 9.315 5.535 -0.218 1.00 0.00 H new ATOM 0 HE2 TYR A 43 7.996 3.042 -3.416 1.00 0.00 H new ATOM 0 HH TYR A 43 7.179 5.498 -2.611 1.00 0.00 H new ATOM 627 N ALA A 44 12.567 2.968 1.075 1.00 0.00 N ATOM 628 CA ALA A 44 13.043 3.962 2.028 1.00 0.00 C ATOM 629 C ALA A 44 12.379 5.314 1.789 1.00 0.00 C ATOM 630 O ALA A 44 12.653 5.982 0.792 1.00 0.00 O ATOM 631 CB ALA A 44 14.557 4.093 1.943 1.00 0.00 C ATOM 0 H ALA A 44 12.718 3.215 0.097 1.00 0.00 H new ATOM 0 HA ALA A 44 12.774 3.626 3.030 1.00 0.00 H new ATOM 0 HB1 ALA A 44 14.899 4.839 2.661 1.00 0.00 H new ATOM 0 HB2 ALA A 44 15.019 3.132 2.171 1.00 0.00 H new ATOM 0 HB3 ALA A 44 14.840 4.402 0.937 1.00 0.00 H new ATOM 637 N ALA A 45 11.506 5.710 2.709 1.00 0.00 N ATOM 638 CA ALA A 45 10.804 6.983 2.598 1.00 0.00 C ATOM 639 C ALA A 45 11.749 8.154 2.844 1.00 0.00 C ATOM 640 O ALA A 45 12.286 8.311 3.939 1.00 0.00 O ATOM 641 CB ALA A 45 9.638 7.030 3.574 1.00 0.00 C ATOM 0 H ALA A 45 11.268 5.168 3.540 1.00 0.00 H new ATOM 0 HA ALA A 45 10.417 7.069 1.583 1.00 0.00 H new ATOM 0 HB1 ALA A 45 9.123 7.986 3.480 1.00 0.00 H new ATOM 0 HB2 ALA A 45 8.943 6.220 3.350 1.00 0.00 H new ATOM 0 HB3 ALA A 45 10.011 6.917 4.592 1.00 0.00 H new ATOM 647 N ASN A 46 11.948 8.974 1.816 1.00 0.00 N ATOM 648 CA ASN A 46 12.830 10.130 1.921 1.00 0.00 C ATOM 649 C ASN A 46 12.354 11.080 3.015 1.00 0.00 C ATOM 650 O ASN A 46 13.139 11.847 3.571 1.00 0.00 O ATOM 651 CB ASN A 46 12.898 10.869 0.583 1.00 0.00 C ATOM 652 CG ASN A 46 11.828 11.935 0.456 1.00 0.00 C ATOM 653 OD1 ASN A 46 10.578 11.506 0.325 1.00 0.00 O flip ATOM 654 ND2 ASN A 46 12.121 13.131 0.476 1.00 0.00 N flip ATOM 0 H ASN A 46 11.510 8.859 0.902 1.00 0.00 H new ATOM 0 HA ASN A 46 13.826 9.773 2.183 1.00 0.00 H new ATOM 0 HB2 ASN A 46 13.880 11.329 0.475 1.00 0.00 H new ATOM 0 HB3 ASN A 46 12.791 10.152 -0.231 1.00 0.00 H new ATOM 0 HD21 ASN A 46 13.095 13.416 0.579 1.00 0.00 H new ATOM 0 HD22 ASN A 46 11.390 13.837 0.390 1.00 0.00 H new ATOM 661 N ASN A 47 11.061 11.023 3.320 1.00 0.00 N ATOM 662 CA ASN A 47 10.479 11.878 4.348 1.00 0.00 C ATOM 663 C ASN A 47 9.293 11.192 5.019 1.00 0.00 C ATOM 664 O ASN A 47 8.923 10.076 4.656 1.00 0.00 O ATOM 665 CB ASN A 47 10.035 13.210 3.741 1.00 0.00 C ATOM 666 CG ASN A 47 9.538 13.060 2.316 1.00 0.00 C ATOM 667 OD1 ASN A 47 9.998 13.755 1.410 1.00 0.00 O ATOM 668 ND2 ASN A 47 8.594 12.148 2.113 1.00 0.00 N ATOM 0 H ASN A 47 10.397 10.393 2.870 1.00 0.00 H new ATOM 0 HA ASN A 47 11.242 12.066 5.103 1.00 0.00 H new ATOM 0 HB2 ASN A 47 9.244 13.640 4.355 1.00 0.00 H new ATOM 0 HB3 ASN A 47 10.870 13.911 3.760 1.00 0.00 H new ATOM 0 HD21 ASN A 47 8.220 12.001 1.175 1.00 0.00 H new ATOM 0 HD22 ASN A 47 8.243 11.595 2.895 1.00 0.00 H new ATOM 675 N GLU A 48 8.702 11.868 5.999 1.00 0.00 N ATOM 676 CA GLU A 48 7.558 11.323 6.721 1.00 0.00 C ATOM 677 C GLU A 48 6.393 11.057 5.772 1.00 0.00 C ATOM 678 O GLU A 48 5.631 10.108 5.958 1.00 0.00 O ATOM 679 CB GLU A 48 7.120 12.284 7.828 1.00 0.00 C ATOM 680 CG GLU A 48 8.190 12.532 8.877 1.00 0.00 C ATOM 681 CD GLU A 48 8.408 11.336 9.783 1.00 0.00 C ATOM 682 OE1 GLU A 48 7.677 11.210 10.787 1.00 0.00 O ATOM 683 OE2 GLU A 48 9.310 10.525 9.486 1.00 0.00 O ATOM 0 H GLU A 48 8.996 12.793 6.311 1.00 0.00 H new ATOM 0 HA GLU A 48 7.861 10.377 7.171 1.00 0.00 H new ATOM 0 HB2 GLU A 48 6.835 13.236 7.380 1.00 0.00 H new ATOM 0 HB3 GLU A 48 6.231 11.883 8.315 1.00 0.00 H new ATOM 0 HG2 GLU A 48 9.128 12.783 8.381 1.00 0.00 H new ATOM 0 HG3 GLU A 48 7.908 13.394 9.481 1.00 0.00 H new ATOM 690 N ASP A 49 6.261 11.902 4.756 1.00 0.00 N ATOM 691 CA ASP A 49 5.190 11.759 3.777 1.00 0.00 C ATOM 692 C ASP A 49 5.158 10.344 3.208 1.00 0.00 C ATOM 693 O ASP A 49 4.088 9.791 2.954 1.00 0.00 O ATOM 694 CB ASP A 49 5.365 12.773 2.645 1.00 0.00 C ATOM 695 CG ASP A 49 4.948 14.172 3.052 1.00 0.00 C ATOM 696 OD1 ASP A 49 4.080 14.298 3.940 1.00 0.00 O ATOM 697 OD2 ASP A 49 5.490 15.142 2.480 1.00 0.00 O ATOM 0 H ASP A 49 6.882 12.693 4.589 1.00 0.00 H new ATOM 0 HA ASP A 49 4.243 11.950 4.282 1.00 0.00 H new ATOM 0 HB2 ASP A 49 6.408 12.785 2.330 1.00 0.00 H new ATOM 0 HB3 ASP A 49 4.776 12.457 1.784 1.00 0.00 H new ATOM 702 N GLU A 50 6.338 9.764 3.011 1.00 0.00 N ATOM 703 CA GLU A 50 6.444 8.414 2.471 1.00 0.00 C ATOM 704 C GLU A 50 6.612 7.391 3.591 1.00 0.00 C ATOM 705 O GLU A 50 6.784 7.752 4.756 1.00 0.00 O ATOM 706 CB GLU A 50 7.623 8.320 1.499 1.00 0.00 C ATOM 707 CG GLU A 50 7.393 9.057 0.191 1.00 0.00 C ATOM 708 CD GLU A 50 8.513 8.839 -0.807 1.00 0.00 C ATOM 709 OE1 GLU A 50 9.682 8.751 -0.375 1.00 0.00 O ATOM 710 OE2 GLU A 50 8.222 8.755 -2.018 1.00 0.00 O ATOM 0 H GLU A 50 7.233 10.208 3.217 1.00 0.00 H new ATOM 0 HA GLU A 50 5.521 8.192 1.935 1.00 0.00 H new ATOM 0 HB2 GLU A 50 8.514 8.723 1.981 1.00 0.00 H new ATOM 0 HB3 GLU A 50 7.823 7.270 1.285 1.00 0.00 H new ATOM 0 HG2 GLU A 50 6.452 8.726 -0.247 1.00 0.00 H new ATOM 0 HG3 GLU A 50 7.293 10.124 0.392 1.00 0.00 H new ATOM 717 N LEU A 51 6.560 6.114 3.230 1.00 0.00 N ATOM 718 CA LEU A 51 6.706 5.037 4.204 1.00 0.00 C ATOM 719 C LEU A 51 8.011 4.279 3.986 1.00 0.00 C ATOM 720 O LEU A 51 8.293 3.813 2.882 1.00 0.00 O ATOM 721 CB LEU A 51 5.521 4.074 4.110 1.00 0.00 C ATOM 722 CG LEU A 51 5.072 3.433 5.423 1.00 0.00 C ATOM 723 CD1 LEU A 51 3.954 2.432 5.174 1.00 0.00 C ATOM 724 CD2 LEU A 51 6.247 2.760 6.118 1.00 0.00 C ATOM 0 H LEU A 51 6.418 5.798 2.270 1.00 0.00 H new ATOM 0 HA LEU A 51 6.727 5.481 5.199 1.00 0.00 H new ATOM 0 HB2 LEU A 51 4.674 4.612 3.683 1.00 0.00 H new ATOM 0 HB3 LEU A 51 5.779 3.279 3.410 1.00 0.00 H new ATOM 0 HG LEU A 51 4.691 4.218 6.076 1.00 0.00 H new ATOM 0 HD11 LEU A 51 3.648 1.986 6.120 1.00 0.00 H new ATOM 0 HD12 LEU A 51 3.104 2.942 4.721 1.00 0.00 H new ATOM 0 HD13 LEU A 51 4.309 1.650 4.502 1.00 0.00 H new ATOM 0 HD21 LEU A 51 5.908 2.309 7.051 1.00 0.00 H new ATOM 0 HD22 LEU A 51 6.659 1.986 5.470 1.00 0.00 H new ATOM 0 HD23 LEU A 51 7.017 3.502 6.332 1.00 0.00 H new ATOM 736 N SER A 52 8.803 4.157 5.047 1.00 0.00 N ATOM 737 CA SER A 52 10.079 3.456 4.971 1.00 0.00 C ATOM 738 C SER A 52 9.955 2.040 5.527 1.00 0.00 C ATOM 739 O SER A 52 9.668 1.848 6.709 1.00 0.00 O ATOM 740 CB SER A 52 11.154 4.226 5.740 1.00 0.00 C ATOM 741 OG SER A 52 10.866 4.256 7.127 1.00 0.00 O ATOM 0 H SER A 52 8.583 4.534 5.969 1.00 0.00 H new ATOM 0 HA SER A 52 10.369 3.392 3.922 1.00 0.00 H new ATOM 0 HB2 SER A 52 12.126 3.760 5.577 1.00 0.00 H new ATOM 0 HB3 SER A 52 11.220 5.244 5.357 1.00 0.00 H new ATOM 0 HG SER A 52 10.418 3.424 7.386 1.00 0.00 H new ATOM 747 N PHE A 53 10.175 1.052 4.666 1.00 0.00 N ATOM 748 CA PHE A 53 10.087 -0.347 5.070 1.00 0.00 C ATOM 749 C PHE A 53 11.136 -1.187 4.348 1.00 0.00 C ATOM 750 O PHE A 53 11.829 -0.702 3.454 1.00 0.00 O ATOM 751 CB PHE A 53 8.689 -0.896 4.780 1.00 0.00 C ATOM 752 CG PHE A 53 8.229 -0.653 3.371 1.00 0.00 C ATOM 753 CD1 PHE A 53 7.621 0.542 3.023 1.00 0.00 C ATOM 754 CD2 PHE A 53 8.405 -1.621 2.395 1.00 0.00 C ATOM 755 CE1 PHE A 53 7.197 0.769 1.727 1.00 0.00 C ATOM 756 CE2 PHE A 53 7.984 -1.399 1.097 1.00 0.00 C ATOM 757 CZ PHE A 53 7.378 -0.204 0.763 1.00 0.00 C ATOM 0 H PHE A 53 10.415 1.194 3.685 1.00 0.00 H new ATOM 0 HA PHE A 53 10.276 -0.403 6.142 1.00 0.00 H new ATOM 0 HB2 PHE A 53 8.681 -1.968 4.976 1.00 0.00 H new ATOM 0 HB3 PHE A 53 7.978 -0.440 5.469 1.00 0.00 H new ATOM 0 HD1 PHE A 53 7.477 1.305 3.773 1.00 0.00 H new ATOM 0 HD2 PHE A 53 8.876 -2.559 2.651 1.00 0.00 H new ATOM 0 HE1 PHE A 53 6.725 1.705 1.468 1.00 0.00 H new ATOM 0 HE2 PHE A 53 8.129 -2.160 0.344 1.00 0.00 H new ATOM 0 HZ PHE A 53 7.046 -0.030 -0.250 1.00 0.00 H new ATOM 767 N SER A 54 11.247 -2.452 4.743 1.00 0.00 N ATOM 768 CA SER A 54 12.214 -3.360 4.138 1.00 0.00 C ATOM 769 C SER A 54 11.507 -4.494 3.402 1.00 0.00 C ATOM 770 O SER A 54 10.321 -4.745 3.616 1.00 0.00 O ATOM 771 CB SER A 54 13.146 -3.933 5.207 1.00 0.00 C ATOM 772 OG SER A 54 12.432 -4.743 6.125 1.00 0.00 O ATOM 0 H SER A 54 10.679 -2.871 5.479 1.00 0.00 H new ATOM 0 HA SER A 54 12.805 -2.795 3.417 1.00 0.00 H new ATOM 0 HB2 SER A 54 13.931 -4.521 4.732 1.00 0.00 H new ATOM 0 HB3 SER A 54 13.637 -3.119 5.741 1.00 0.00 H new ATOM 0 HG SER A 54 11.491 -4.469 6.140 1.00 0.00 H new ATOM 778 N LYS A 55 12.245 -5.178 2.534 1.00 0.00 N ATOM 779 CA LYS A 55 11.692 -6.287 1.766 1.00 0.00 C ATOM 780 C LYS A 55 11.075 -7.334 2.689 1.00 0.00 C ATOM 781 O LYS A 55 11.780 -8.002 3.444 1.00 0.00 O ATOM 782 CB LYS A 55 12.780 -6.930 0.903 1.00 0.00 C ATOM 783 CG LYS A 55 12.333 -8.205 0.210 1.00 0.00 C ATOM 784 CD LYS A 55 13.342 -8.657 -0.833 1.00 0.00 C ATOM 785 CE LYS A 55 12.704 -9.573 -1.866 1.00 0.00 C ATOM 786 NZ LYS A 55 13.707 -10.463 -2.512 1.00 0.00 N ATOM 0 H LYS A 55 13.228 -4.983 2.345 1.00 0.00 H new ATOM 0 HA LYS A 55 10.909 -5.893 1.118 1.00 0.00 H new ATOM 0 HB2 LYS A 55 13.106 -6.212 0.150 1.00 0.00 H new ATOM 0 HB3 LYS A 55 13.645 -7.151 1.529 1.00 0.00 H new ATOM 0 HG2 LYS A 55 12.196 -8.993 0.950 1.00 0.00 H new ATOM 0 HG3 LYS A 55 11.366 -8.042 -0.265 1.00 0.00 H new ATOM 0 HD2 LYS A 55 13.767 -7.786 -1.331 1.00 0.00 H new ATOM 0 HD3 LYS A 55 14.165 -9.177 -0.343 1.00 0.00 H new ATOM 0 HE2 LYS A 55 11.935 -10.179 -1.388 1.00 0.00 H new ATOM 0 HE3 LYS A 55 12.208 -8.972 -2.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 13.233 -11.072 -3.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 14.427 -9.885 -2.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 14.163 -11.055 -1.789 1.00 0.00 H new ATOM 800 N GLY A 56 9.755 -7.472 2.621 1.00 0.00 N ATOM 801 CA GLY A 56 9.066 -8.441 3.454 1.00 0.00 C ATOM 802 C GLY A 56 8.457 -7.812 4.691 1.00 0.00 C ATOM 803 O GLY A 56 8.235 -8.490 5.694 1.00 0.00 O ATOM 0 H GLY A 56 9.150 -6.930 2.004 1.00 0.00 H new ATOM 0 HA2 GLY A 56 8.281 -8.924 2.872 1.00 0.00 H new ATOM 0 HA3 GLY A 56 9.766 -9.221 3.754 1.00 0.00 H new ATOM 807 N GLN A 57 8.188 -6.512 4.621 1.00 0.00 N ATOM 808 CA GLN A 57 7.603 -5.791 5.746 1.00 0.00 C ATOM 809 C GLN A 57 6.100 -6.037 5.827 1.00 0.00 C ATOM 810 O GLN A 57 5.474 -6.449 4.849 1.00 0.00 O ATOM 811 CB GLN A 57 7.881 -4.293 5.618 1.00 0.00 C ATOM 812 CG GLN A 57 7.983 -3.577 6.956 1.00 0.00 C ATOM 813 CD GLN A 57 9.172 -4.039 7.776 1.00 0.00 C ATOM 814 OE1 GLN A 57 9.782 -5.067 7.481 1.00 0.00 O ATOM 815 NE2 GLN A 57 9.507 -3.280 8.812 1.00 0.00 N ATOM 0 H GLN A 57 8.366 -5.937 3.798 1.00 0.00 H new ATOM 0 HA GLN A 57 8.063 -6.161 6.662 1.00 0.00 H new ATOM 0 HB2 GLN A 57 8.811 -4.150 5.067 1.00 0.00 H new ATOM 0 HB3 GLN A 57 7.087 -3.834 5.029 1.00 0.00 H new ATOM 0 HG2 GLN A 57 8.060 -2.503 6.784 1.00 0.00 H new ATOM 0 HG3 GLN A 57 7.068 -3.744 7.524 1.00 0.00 H new ATOM 0 HE21 GLN A 57 8.973 -2.436 9.020 1.00 0.00 H new ATOM 0 HE22 GLN A 57 10.298 -3.541 9.400 1.00 0.00 H new ATOM 824 N LEU A 58 5.527 -5.782 6.998 1.00 0.00 N ATOM 825 CA LEU A 58 4.096 -5.976 7.207 1.00 0.00 C ATOM 826 C LEU A 58 3.309 -4.747 6.763 1.00 0.00 C ATOM 827 O LEU A 58 3.337 -3.708 7.423 1.00 0.00 O ATOM 828 CB LEU A 58 3.812 -6.272 8.681 1.00 0.00 C ATOM 829 CG LEU A 58 2.475 -5.763 9.222 1.00 0.00 C ATOM 830 CD1 LEU A 58 1.326 -6.259 8.357 1.00 0.00 C ATOM 831 CD2 LEU A 58 2.284 -6.199 10.667 1.00 0.00 C ATOM 0 H LEU A 58 6.031 -5.441 7.817 1.00 0.00 H new ATOM 0 HA LEU A 58 3.778 -6.826 6.603 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.854 -7.351 8.829 1.00 0.00 H new ATOM 0 HB3 LEU A 58 4.613 -5.837 9.279 1.00 0.00 H new ATOM 0 HG LEU A 58 2.483 -4.673 9.190 1.00 0.00 H new ATOM 0 HD11 LEU A 58 0.383 -5.887 8.757 1.00 0.00 H new ATOM 0 HD12 LEU A 58 1.456 -5.897 7.337 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.315 -7.349 8.356 1.00 0.00 H new ATOM 0 HD21 LEU A 58 1.328 -5.828 11.036 1.00 0.00 H new ATOM 0 HD22 LEU A 58 2.297 -7.287 10.723 1.00 0.00 H new ATOM 0 HD23 LEU A 58 3.090 -5.794 11.279 1.00 0.00 H new ATOM 843 N ILE A 59 2.608 -4.874 5.641 1.00 0.00 N ATOM 844 CA ILE A 59 1.811 -3.775 5.111 1.00 0.00 C ATOM 845 C ILE A 59 0.388 -4.227 4.801 1.00 0.00 C ATOM 846 O ILE A 59 0.179 -5.270 4.182 1.00 0.00 O ATOM 847 CB ILE A 59 2.441 -3.188 3.834 1.00 0.00 C ATOM 848 CG1 ILE A 59 3.818 -2.597 4.143 1.00 0.00 C ATOM 849 CG2 ILE A 59 1.528 -2.131 3.230 1.00 0.00 C ATOM 850 CD1 ILE A 59 4.654 -2.334 2.910 1.00 0.00 C ATOM 0 H ILE A 59 2.576 -5.727 5.082 1.00 0.00 H new ATOM 0 HA ILE A 59 1.785 -3.004 5.881 1.00 0.00 H new ATOM 0 HB ILE A 59 2.566 -3.990 3.107 1.00 0.00 H new ATOM 0 HG12 ILE A 59 3.689 -1.663 4.690 1.00 0.00 H new ATOM 0 HG13 ILE A 59 4.358 -3.279 4.799 1.00 0.00 H new ATOM 0 HG21 ILE A 59 1.987 -1.726 2.328 1.00 0.00 H new ATOM 0 HG22 ILE A 59 0.568 -2.581 2.977 1.00 0.00 H new ATOM 0 HG23 ILE A 59 1.374 -1.328 3.951 1.00 0.00 H new ATOM 0 HD11 ILE A 59 5.616 -1.916 3.205 1.00 0.00 H new ATOM 0 HD12 ILE A 59 4.814 -3.269 2.373 1.00 0.00 H new ATOM 0 HD13 ILE A 59 4.135 -1.628 2.262 1.00 0.00 H new ATOM 862 N ASN A 60 -0.586 -3.434 5.233 1.00 0.00 N ATOM 863 CA ASN A 60 -1.991 -3.752 5.001 1.00 0.00 C ATOM 864 C ASN A 60 -2.686 -2.623 4.246 1.00 0.00 C ATOM 865 O ASN A 60 -3.051 -1.603 4.831 1.00 0.00 O ATOM 866 CB ASN A 60 -2.704 -4.007 6.330 1.00 0.00 C ATOM 867 CG ASN A 60 -2.009 -5.065 7.165 1.00 0.00 C ATOM 868 OD1 ASN A 60 -1.029 -5.671 6.730 1.00 0.00 O ATOM 869 ND2 ASN A 60 -2.515 -5.293 8.372 1.00 0.00 N ATOM 0 H ASN A 60 -0.429 -2.566 5.746 1.00 0.00 H new ATOM 0 HA ASN A 60 -2.038 -4.655 4.393 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -2.755 -3.077 6.896 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -3.730 -4.318 6.135 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -2.090 -5.994 8.979 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -3.328 -4.767 8.692 1.00 0.00 H new ATOM 876 N VAL A 61 -2.868 -2.814 2.943 1.00 0.00 N ATOM 877 CA VAL A 61 -3.521 -1.813 2.108 1.00 0.00 C ATOM 878 C VAL A 61 -4.915 -1.487 2.631 1.00 0.00 C ATOM 879 O VAL A 61 -5.736 -2.380 2.839 1.00 0.00 O ATOM 880 CB VAL A 61 -3.631 -2.287 0.646 1.00 0.00 C ATOM 881 CG1 VAL A 61 -4.229 -1.194 -0.226 1.00 0.00 C ATOM 882 CG2 VAL A 61 -2.268 -2.714 0.121 1.00 0.00 C ATOM 0 H VAL A 61 -2.572 -3.653 2.443 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.903 -0.916 2.146 1.00 0.00 H new ATOM 0 HB VAL A 61 -4.295 -3.150 0.611 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -4.299 -1.547 -1.255 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -5.224 -0.941 0.139 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -3.593 -0.310 -0.188 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -2.364 -3.046 -0.913 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -1.579 -1.871 0.169 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -1.883 -3.532 0.730 1.00 0.00 H new ATOM 892 N MET A 62 -5.176 -0.200 2.840 1.00 0.00 N ATOM 893 CA MET A 62 -6.473 0.245 3.338 1.00 0.00 C ATOM 894 C MET A 62 -7.227 1.027 2.267 1.00 0.00 C ATOM 895 O MET A 62 -8.450 0.938 2.166 1.00 0.00 O ATOM 896 CB MET A 62 -6.295 1.110 4.587 1.00 0.00 C ATOM 897 CG MET A 62 -5.333 0.518 5.604 1.00 0.00 C ATOM 898 SD MET A 62 -4.515 1.777 6.602 1.00 0.00 S ATOM 899 CE MET A 62 -5.622 1.866 8.007 1.00 0.00 C ATOM 0 H MET A 62 -4.507 0.552 2.672 1.00 0.00 H new ATOM 0 HA MET A 62 -7.057 -0.638 3.597 1.00 0.00 H new ATOM 0 HB2 MET A 62 -5.935 2.095 4.289 1.00 0.00 H new ATOM 0 HB3 MET A 62 -7.266 1.256 5.060 1.00 0.00 H new ATOM 0 HG2 MET A 62 -5.877 -0.163 6.259 1.00 0.00 H new ATOM 0 HG3 MET A 62 -4.580 -0.074 5.084 1.00 0.00 H new ATOM 0 HE1 MET A 62 -6.006 2.881 8.104 1.00 0.00 H new ATOM 0 HE2 MET A 62 -6.453 1.176 7.860 1.00 0.00 H new ATOM 0 HE3 MET A 62 -5.081 1.595 8.914 1.00 0.00 H new ATOM 909 N ASN A 63 -6.489 1.792 1.470 1.00 0.00 N ATOM 910 CA ASN A 63 -7.088 2.591 0.407 1.00 0.00 C ATOM 911 C ASN A 63 -6.255 2.512 -0.869 1.00 0.00 C ATOM 912 O ASN A 63 -5.161 3.073 -0.945 1.00 0.00 O ATOM 913 CB ASN A 63 -7.225 4.049 0.851 1.00 0.00 C ATOM 914 CG ASN A 63 -8.550 4.322 1.537 1.00 0.00 C ATOM 915 OD1 ASN A 63 -8.611 4.468 2.758 1.00 0.00 O ATOM 916 ND2 ASN A 63 -9.619 4.392 0.752 1.00 0.00 N ATOM 0 H ASN A 63 -5.475 1.876 1.540 1.00 0.00 H new ATOM 0 HA ASN A 63 -8.079 2.187 0.198 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -6.409 4.297 1.530 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -7.127 4.701 -0.017 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -10.538 4.573 1.156 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -9.521 4.265 -0.255 1.00 0.00 H new ATOM 923 N LYS A 64 -6.779 1.813 -1.870 1.00 0.00 N ATOM 924 CA LYS A 64 -6.086 1.662 -3.143 1.00 0.00 C ATOM 925 C LYS A 64 -6.778 2.467 -4.238 1.00 0.00 C ATOM 926 O LYS A 64 -6.827 2.046 -5.394 1.00 0.00 O ATOM 927 CB LYS A 64 -6.025 0.185 -3.542 1.00 0.00 C ATOM 928 CG LYS A 64 -7.377 -0.401 -3.909 1.00 0.00 C ATOM 929 CD LYS A 64 -7.241 -1.528 -4.920 1.00 0.00 C ATOM 930 CE LYS A 64 -6.899 -2.846 -4.243 1.00 0.00 C ATOM 931 NZ LYS A 64 -8.066 -3.412 -3.511 1.00 0.00 N ATOM 0 H LYS A 64 -7.682 1.342 -1.824 1.00 0.00 H new ATOM 0 HA LYS A 64 -5.071 2.042 -3.023 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -5.348 0.074 -4.389 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -5.601 -0.388 -2.718 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -7.869 -0.774 -3.011 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -8.015 0.382 -4.319 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -8.173 -1.634 -5.476 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -6.465 -1.277 -5.644 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -6.558 -3.561 -4.992 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -6.073 -2.694 -3.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -7.881 -4.409 -3.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -8.217 -2.877 -2.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -8.915 -3.345 -4.107 1.00 0.00 H new ATOM 945 N ASP A 65 -7.309 3.627 -3.867 1.00 0.00 N ATOM 946 CA ASP A 65 -7.996 4.492 -4.819 1.00 0.00 C ATOM 947 C ASP A 65 -7.134 4.734 -6.054 1.00 0.00 C ATOM 948 O ASP A 65 -7.636 4.764 -7.178 1.00 0.00 O ATOM 949 CB ASP A 65 -8.352 5.827 -4.162 1.00 0.00 C ATOM 950 CG ASP A 65 -9.354 6.623 -4.975 1.00 0.00 C ATOM 951 OD1 ASP A 65 -8.952 7.213 -6.000 1.00 0.00 O ATOM 952 OD2 ASP A 65 -10.541 6.655 -4.587 1.00 0.00 O ATOM 0 H ASP A 65 -7.277 3.990 -2.914 1.00 0.00 H new ATOM 0 HA ASP A 65 -8.913 3.992 -5.130 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -8.760 5.642 -3.168 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -7.445 6.417 -4.030 1.00 0.00 H new ATOM 957 N ASP A 66 -5.835 4.906 -5.838 1.00 0.00 N ATOM 958 CA ASP A 66 -4.902 5.145 -6.934 1.00 0.00 C ATOM 959 C ASP A 66 -4.351 3.830 -7.475 1.00 0.00 C ATOM 960 O ASP A 66 -3.729 3.046 -6.757 1.00 0.00 O ATOM 961 CB ASP A 66 -3.753 6.040 -6.468 1.00 0.00 C ATOM 962 CG ASP A 66 -3.202 6.905 -7.585 1.00 0.00 C ATOM 963 OD1 ASP A 66 -3.027 6.384 -8.707 1.00 0.00 O ATOM 964 OD2 ASP A 66 -2.948 8.102 -7.338 1.00 0.00 O ATOM 0 H ASP A 66 -5.403 4.885 -4.914 1.00 0.00 H new ATOM 0 HA ASP A 66 -5.443 5.649 -7.735 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -4.100 6.679 -5.656 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -2.953 5.419 -6.065 1.00 0.00 H new ATOM 969 N PRO A 67 -4.585 3.579 -8.772 1.00 0.00 N ATOM 970 CA PRO A 67 -4.121 2.359 -9.439 1.00 0.00 C ATOM 971 C PRO A 67 -2.605 2.329 -9.605 1.00 0.00 C ATOM 972 O PRO A 67 -2.048 1.368 -10.135 1.00 0.00 O ATOM 973 CB PRO A 67 -4.808 2.418 -10.805 1.00 0.00 C ATOM 974 CG PRO A 67 -5.057 3.868 -11.041 1.00 0.00 C ATOM 975 CD PRO A 67 -5.319 4.468 -9.688 1.00 0.00 C ATOM 0 HA PRO A 67 -4.361 1.464 -8.865 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -4.176 1.993 -11.585 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -5.739 1.851 -10.805 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -4.197 4.339 -11.517 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -5.909 4.015 -11.705 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -4.958 5.495 -9.627 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -6.384 4.491 -9.458 1.00 0.00 H new ATOM 983 N ASP A 68 -1.944 3.387 -9.148 1.00 0.00 N ATOM 984 CA ASP A 68 -0.492 3.482 -9.245 1.00 0.00 C ATOM 985 C ASP A 68 0.148 3.455 -7.860 1.00 0.00 C ATOM 986 O ASP A 68 1.197 2.842 -7.663 1.00 0.00 O ATOM 987 CB ASP A 68 -0.091 4.761 -9.981 1.00 0.00 C ATOM 988 CG ASP A 68 -0.991 5.054 -11.165 1.00 0.00 C ATOM 989 OD1 ASP A 68 -2.106 5.575 -10.948 1.00 0.00 O ATOM 990 OD2 ASP A 68 -0.581 4.765 -12.308 1.00 0.00 O ATOM 0 H ASP A 68 -2.391 4.191 -8.707 1.00 0.00 H new ATOM 0 HA ASP A 68 -0.133 2.621 -9.808 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -0.123 5.601 -9.287 1.00 0.00 H new ATOM 0 HB3 ASP A 68 0.939 4.671 -10.325 1.00 0.00 H new ATOM 995 N TRP A 69 -0.490 4.123 -6.907 1.00 0.00 N ATOM 996 CA TRP A 69 0.017 4.177 -5.541 1.00 0.00 C ATOM 997 C TRP A 69 -1.018 3.650 -4.554 1.00 0.00 C ATOM 998 O TRP A 69 -2.218 3.864 -4.727 1.00 0.00 O ATOM 999 CB TRP A 69 0.406 5.610 -5.175 1.00 0.00 C ATOM 1000 CG TRP A 69 1.787 5.984 -5.621 1.00 0.00 C ATOM 1001 CD1 TRP A 69 2.209 6.176 -6.906 1.00 0.00 C ATOM 1002 CD2 TRP A 69 2.927 6.209 -4.784 1.00 0.00 C ATOM 1003 NE1 TRP A 69 3.543 6.506 -6.918 1.00 0.00 N ATOM 1004 CE2 TRP A 69 4.006 6.534 -5.629 1.00 0.00 C ATOM 1005 CE3 TRP A 69 3.140 6.169 -3.404 1.00 0.00 C ATOM 1006 CZ2 TRP A 69 5.278 6.815 -5.136 1.00 0.00 C ATOM 1007 CZ3 TRP A 69 4.402 6.448 -2.916 1.00 0.00 C ATOM 1008 CH2 TRP A 69 5.458 6.769 -3.780 1.00 0.00 C ATOM 0 H TRP A 69 -1.360 4.635 -7.055 1.00 0.00 H new ATOM 0 HA TRP A 69 0.901 3.542 -5.484 1.00 0.00 H new ATOM 0 HB2 TRP A 69 -0.311 6.299 -5.622 1.00 0.00 H new ATOM 0 HB3 TRP A 69 0.335 5.733 -4.094 1.00 0.00 H new ATOM 0 HD1 TRP A 69 1.586 6.082 -7.783 1.00 0.00 H new ATOM 0 HE1 TRP A 69 4.098 6.699 -7.752 1.00 0.00 H new ATOM 0 HE3 TRP A 69 2.332 5.924 -2.730 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 6.093 7.061 -5.800 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 4.578 6.418 -1.851 1.00 0.00 H new ATOM 0 HH2 TRP A 69 6.433 6.984 -3.368 1.00 0.00 H new ATOM 1019 N TRP A 70 -0.548 2.963 -3.520 1.00 0.00 N ATOM 1020 CA TRP A 70 -1.435 2.406 -2.505 1.00 0.00 C ATOM 1021 C TRP A 70 -1.030 2.873 -1.111 1.00 0.00 C ATOM 1022 O TRP A 70 0.093 3.332 -0.904 1.00 0.00 O ATOM 1023 CB TRP A 70 -1.420 0.878 -2.568 1.00 0.00 C ATOM 1024 CG TRP A 70 -2.099 0.327 -3.786 1.00 0.00 C ATOM 1025 CD1 TRP A 70 -2.996 0.974 -4.587 1.00 0.00 C ATOM 1026 CD2 TRP A 70 -1.938 -0.984 -4.338 1.00 0.00 C ATOM 1027 NE1 TRP A 70 -3.401 0.144 -5.605 1.00 0.00 N ATOM 1028 CE2 TRP A 70 -2.766 -1.063 -5.474 1.00 0.00 C ATOM 1029 CE3 TRP A 70 -1.173 -2.099 -3.984 1.00 0.00 C ATOM 1030 CZ2 TRP A 70 -2.850 -2.212 -6.256 1.00 0.00 C ATOM 1031 CZ3 TRP A 70 -1.257 -3.238 -4.760 1.00 0.00 C ATOM 1032 CH2 TRP A 70 -2.090 -3.288 -5.886 1.00 0.00 C ATOM 0 H TRP A 70 0.443 2.778 -3.362 1.00 0.00 H new ATOM 0 HA TRP A 70 -2.445 2.762 -2.707 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -0.387 0.531 -2.548 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -1.907 0.480 -1.678 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -3.337 1.988 -4.442 1.00 0.00 H new ATOM 0 HE1 TRP A 70 -4.066 0.387 -6.339 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -0.527 -2.070 -3.119 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 -3.492 -2.252 -7.124 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -0.671 -4.105 -4.495 1.00 0.00 H new ATOM 0 HH2 TRP A 70 -2.133 -4.193 -6.473 1.00 0.00 H new ATOM 1043 N GLN A 71 -1.950 2.753 -0.160 1.00 0.00 N ATOM 1044 CA GLN A 71 -1.686 3.164 1.214 1.00 0.00 C ATOM 1045 C GLN A 71 -1.774 1.975 2.164 1.00 0.00 C ATOM 1046 O GLN A 71 -2.787 1.279 2.213 1.00 0.00 O ATOM 1047 CB GLN A 71 -2.676 4.249 1.643 1.00 0.00 C ATOM 1048 CG GLN A 71 -2.426 4.781 3.044 1.00 0.00 C ATOM 1049 CD GLN A 71 -3.360 5.917 3.412 1.00 0.00 C ATOM 1050 OE1 GLN A 71 -4.453 6.041 2.861 1.00 0.00 O ATOM 1051 NE2 GLN A 71 -2.932 6.755 4.350 1.00 0.00 N ATOM 0 H GLN A 71 -2.884 2.375 -0.315 1.00 0.00 H new ATOM 0 HA GLN A 71 -0.674 3.567 1.258 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -2.625 5.076 0.935 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -3.688 3.847 1.591 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -2.545 3.970 3.763 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -1.394 5.125 3.119 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -2.018 6.615 4.781 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -3.517 7.539 4.639 1.00 0.00 H new ATOM 1060 N GLY A 72 -0.703 1.746 2.919 1.00 0.00 N ATOM 1061 CA GLY A 72 -0.679 0.640 3.858 1.00 0.00 C ATOM 1062 C GLY A 72 -0.183 1.053 5.229 1.00 0.00 C ATOM 1063 O GLY A 72 0.191 2.207 5.438 1.00 0.00 O ATOM 0 H GLY A 72 0.148 2.307 2.897 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -1.682 0.223 3.949 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -0.039 -0.151 3.467 1.00 0.00 H new ATOM 1067 N GLU A 73 -0.180 0.110 6.165 1.00 0.00 N ATOM 1068 CA GLU A 73 0.272 0.384 7.524 1.00 0.00 C ATOM 1069 C GLU A 73 1.359 -0.601 7.945 1.00 0.00 C ATOM 1070 O GLU A 73 1.305 -1.784 7.605 1.00 0.00 O ATOM 1071 CB GLU A 73 -0.903 0.312 8.501 1.00 0.00 C ATOM 1072 CG GLU A 73 -1.600 -1.038 8.517 1.00 0.00 C ATOM 1073 CD GLU A 73 -1.036 -1.973 9.569 1.00 0.00 C ATOM 1074 OE1 GLU A 73 -1.197 -1.680 10.772 1.00 0.00 O ATOM 1075 OE2 GLU A 73 -0.434 -2.999 9.188 1.00 0.00 O ATOM 0 H GLU A 73 -0.485 -0.850 6.008 1.00 0.00 H new ATOM 0 HA GLU A 73 0.690 1.390 7.544 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -0.544 0.538 9.505 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -1.628 1.083 8.241 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -2.664 -0.891 8.700 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -1.506 -1.503 7.535 1.00 0.00 H new ATOM 1082 N ILE A 74 2.344 -0.105 8.686 1.00 0.00 N ATOM 1083 CA ILE A 74 3.442 -0.942 9.154 1.00 0.00 C ATOM 1084 C ILE A 74 3.747 -0.677 10.624 1.00 0.00 C ATOM 1085 O ILE A 74 4.411 0.301 10.965 1.00 0.00 O ATOM 1086 CB ILE A 74 4.720 -0.707 8.326 1.00 0.00 C ATOM 1087 CG1 ILE A 74 4.414 -0.821 6.832 1.00 0.00 C ATOM 1088 CG2 ILE A 74 5.801 -1.699 8.728 1.00 0.00 C ATOM 1089 CD1 ILE A 74 5.584 -0.455 5.946 1.00 0.00 C ATOM 0 H ILE A 74 2.404 0.871 8.975 1.00 0.00 H new ATOM 0 HA ILE A 74 3.124 -1.978 9.032 1.00 0.00 H new ATOM 0 HB ILE A 74 5.085 0.300 8.527 1.00 0.00 H new ATOM 0 HG12 ILE A 74 4.106 -1.843 6.609 1.00 0.00 H new ATOM 0 HG13 ILE A 74 3.570 -0.174 6.592 1.00 0.00 H new ATOM 0 HG21 ILE A 74 6.698 -1.520 8.134 1.00 0.00 H new ATOM 0 HG22 ILE A 74 6.035 -1.574 9.785 1.00 0.00 H new ATOM 0 HG23 ILE A 74 5.446 -2.715 8.553 1.00 0.00 H new ATOM 0 HD11 ILE A 74 5.295 -0.559 4.900 1.00 0.00 H new ATOM 0 HD12 ILE A 74 5.879 0.576 6.140 1.00 0.00 H new ATOM 0 HD13 ILE A 74 6.423 -1.118 6.158 1.00 0.00 H new ATOM 1101 N ASN A 75 3.258 -1.557 11.492 1.00 0.00 N ATOM 1102 CA ASN A 75 3.479 -1.420 12.927 1.00 0.00 C ATOM 1103 C ASN A 75 2.802 -0.163 13.464 1.00 0.00 C ATOM 1104 O ASN A 75 3.423 0.642 14.156 1.00 0.00 O ATOM 1105 CB ASN A 75 4.978 -1.375 13.231 1.00 0.00 C ATOM 1106 CG ASN A 75 5.555 -2.752 13.496 1.00 0.00 C ATOM 1107 OD1 ASN A 75 5.281 -3.364 14.528 1.00 0.00 O ATOM 1108 ND2 ASN A 75 6.360 -3.245 12.562 1.00 0.00 N ATOM 0 H ASN A 75 2.706 -2.373 11.226 1.00 0.00 H new ATOM 0 HA ASN A 75 3.040 -2.287 13.421 1.00 0.00 H new ATOM 0 HB2 ASN A 75 5.503 -0.919 12.391 1.00 0.00 H new ATOM 0 HB3 ASN A 75 5.151 -0.738 14.099 1.00 0.00 H new ATOM 0 HD21 ASN A 75 6.779 -4.167 12.685 1.00 0.00 H new ATOM 0 HD22 ASN A 75 6.559 -2.702 11.722 1.00 0.00 H new ATOM 1115 N GLY A 76 1.522 -0.001 13.139 1.00 0.00 N ATOM 1116 CA GLY A 76 0.782 1.160 13.596 1.00 0.00 C ATOM 1117 C GLY A 76 1.190 2.429 12.877 1.00 0.00 C ATOM 1118 O GLY A 76 0.712 3.517 13.200 1.00 0.00 O ATOM 0 H GLY A 76 0.985 -0.653 12.567 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -0.284 0.989 13.447 1.00 0.00 H new ATOM 0 HA3 GLY A 76 0.938 1.287 14.667 1.00 0.00 H new ATOM 1122 N VAL A 77 2.079 2.293 11.898 1.00 0.00 N ATOM 1123 CA VAL A 77 2.553 3.438 11.130 1.00 0.00 C ATOM 1124 C VAL A 77 1.901 3.485 9.753 1.00 0.00 C ATOM 1125 O VAL A 77 1.575 2.449 9.172 1.00 0.00 O ATOM 1126 CB VAL A 77 4.084 3.405 10.960 1.00 0.00 C ATOM 1127 CG1 VAL A 77 4.463 2.698 9.668 1.00 0.00 C ATOM 1128 CG2 VAL A 77 4.653 4.816 10.993 1.00 0.00 C ATOM 0 H VAL A 77 2.486 1.400 11.618 1.00 0.00 H new ATOM 0 HA VAL A 77 2.276 4.331 11.690 1.00 0.00 H new ATOM 0 HB VAL A 77 4.513 2.845 11.791 1.00 0.00 H new ATOM 0 HG11 VAL A 77 5.548 2.685 9.565 1.00 0.00 H new ATOM 0 HG12 VAL A 77 4.088 1.675 9.690 1.00 0.00 H new ATOM 0 HG13 VAL A 77 4.025 3.227 8.822 1.00 0.00 H new ATOM 0 HG21 VAL A 77 5.735 4.775 10.872 1.00 0.00 H new ATOM 0 HG22 VAL A 77 4.219 5.402 10.183 1.00 0.00 H new ATOM 0 HG23 VAL A 77 4.413 5.283 11.948 1.00 0.00 H new ATOM 1138 N THR A 78 1.712 4.694 9.234 1.00 0.00 N ATOM 1139 CA THR A 78 1.098 4.877 7.925 1.00 0.00 C ATOM 1140 C THR A 78 1.949 5.781 7.040 1.00 0.00 C ATOM 1141 O THR A 78 2.655 6.661 7.531 1.00 0.00 O ATOM 1142 CB THR A 78 -0.315 5.479 8.047 1.00 0.00 C ATOM 1143 OG1 THR A 78 -0.282 6.639 8.887 1.00 0.00 O ATOM 1144 CG2 THR A 78 -1.290 4.461 8.617 1.00 0.00 C ATOM 0 H THR A 78 1.976 5.562 9.701 1.00 0.00 H new ATOM 0 HA THR A 78 1.026 3.890 7.468 1.00 0.00 H new ATOM 0 HB THR A 78 -0.653 5.762 7.050 1.00 0.00 H new ATOM 0 HG1 THR A 78 -1.183 7.017 8.958 1.00 0.00 H new ATOM 0 HG21 THR A 78 -2.281 4.909 8.694 1.00 0.00 H new ATOM 0 HG22 THR A 78 -1.335 3.592 7.960 1.00 0.00 H new ATOM 0 HG23 THR A 78 -0.955 4.151 9.607 1.00 0.00 H new ATOM 1152 N GLY A 79 1.876 5.558 5.731 1.00 0.00 N ATOM 1153 CA GLY A 79 2.645 6.361 4.798 1.00 0.00 C ATOM 1154 C GLY A 79 2.109 6.278 3.383 1.00 0.00 C ATOM 1155 O GLY A 79 0.902 6.145 3.175 1.00 0.00 O ATOM 0 H GLY A 79 1.298 4.836 5.300 1.00 0.00 H new ATOM 0 HA2 GLY A 79 2.637 7.401 5.126 1.00 0.00 H new ATOM 0 HA3 GLY A 79 3.684 6.031 4.810 1.00 0.00 H new ATOM 1159 N LEU A 80 3.006 6.357 2.407 1.00 0.00 N ATOM 1160 CA LEU A 80 2.616 6.292 1.002 1.00 0.00 C ATOM 1161 C LEU A 80 3.652 5.527 0.185 1.00 0.00 C ATOM 1162 O LEU A 80 4.849 5.809 0.260 1.00 0.00 O ATOM 1163 CB LEU A 80 2.441 7.701 0.435 1.00 0.00 C ATOM 1164 CG LEU A 80 1.209 8.469 0.913 1.00 0.00 C ATOM 1165 CD1 LEU A 80 1.276 9.921 0.463 1.00 0.00 C ATOM 1166 CD2 LEU A 80 -0.063 7.809 0.400 1.00 0.00 C ATOM 0 H LEU A 80 4.008 6.466 2.562 1.00 0.00 H new ATOM 0 HA LEU A 80 1.666 5.762 0.938 1.00 0.00 H new ATOM 0 HB2 LEU A 80 3.327 8.284 0.685 1.00 0.00 H new ATOM 0 HB3 LEU A 80 2.402 7.631 -0.652 1.00 0.00 H new ATOM 0 HG LEU A 80 1.192 8.448 2.003 1.00 0.00 H new ATOM 0 HD11 LEU A 80 0.390 10.452 0.813 1.00 0.00 H new ATOM 0 HD12 LEU A 80 2.168 10.390 0.879 1.00 0.00 H new ATOM 0 HD13 LEU A 80 1.318 9.963 -0.625 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -0.930 8.369 0.750 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -0.053 7.799 -0.690 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -0.118 6.786 0.772 1.00 0.00 H new ATOM 1178 N PHE A 81 3.185 4.559 -0.597 1.00 0.00 N ATOM 1179 CA PHE A 81 4.071 3.754 -1.430 1.00 0.00 C ATOM 1180 C PHE A 81 3.364 3.313 -2.708 1.00 0.00 C ATOM 1181 O PHE A 81 2.138 3.215 -2.767 1.00 0.00 O ATOM 1182 CB PHE A 81 4.560 2.529 -0.655 1.00 0.00 C ATOM 1183 CG PHE A 81 3.450 1.734 -0.028 1.00 0.00 C ATOM 1184 CD1 PHE A 81 2.485 1.127 -0.815 1.00 0.00 C ATOM 1185 CD2 PHE A 81 3.372 1.595 1.348 1.00 0.00 C ATOM 1186 CE1 PHE A 81 1.463 0.395 -0.241 1.00 0.00 C ATOM 1187 CE2 PHE A 81 2.353 0.863 1.928 1.00 0.00 C ATOM 1188 CZ PHE A 81 1.396 0.264 1.132 1.00 0.00 C ATOM 0 H PHE A 81 2.198 4.313 -0.671 1.00 0.00 H new ATOM 0 HA PHE A 81 4.929 4.368 -1.704 1.00 0.00 H new ATOM 0 HB2 PHE A 81 5.123 1.883 -1.329 1.00 0.00 H new ATOM 0 HB3 PHE A 81 5.249 2.854 0.125 1.00 0.00 H new ATOM 0 HD1 PHE A 81 2.532 1.227 -1.889 1.00 0.00 H new ATOM 0 HD2 PHE A 81 4.116 2.064 1.975 1.00 0.00 H new ATOM 0 HE1 PHE A 81 0.717 -0.074 -0.866 1.00 0.00 H new ATOM 0 HE2 PHE A 81 2.305 0.760 3.002 1.00 0.00 H new ATOM 0 HZ PHE A 81 0.597 -0.306 1.583 1.00 0.00 H new ATOM 1198 N PRO A 82 4.154 3.042 -3.757 1.00 0.00 N ATOM 1199 CA PRO A 82 3.626 2.607 -5.054 1.00 0.00 C ATOM 1200 C PRO A 82 3.047 1.198 -5.001 1.00 0.00 C ATOM 1201 O PRO A 82 3.515 0.352 -4.239 1.00 0.00 O ATOM 1202 CB PRO A 82 4.854 2.646 -5.967 1.00 0.00 C ATOM 1203 CG PRO A 82 6.015 2.474 -5.050 1.00 0.00 C ATOM 1204 CD PRO A 82 5.623 3.138 -3.758 1.00 0.00 C ATOM 0 HA PRO A 82 2.805 3.239 -5.393 1.00 0.00 H new ATOM 0 HB2 PRO A 82 4.818 1.852 -6.713 1.00 0.00 H new ATOM 0 HB3 PRO A 82 4.914 3.590 -6.509 1.00 0.00 H new ATOM 0 HG2 PRO A 82 6.237 1.418 -4.895 1.00 0.00 H new ATOM 0 HG3 PRO A 82 6.913 2.930 -5.467 1.00 0.00 H new ATOM 0 HD2 PRO A 82 6.059 2.631 -2.897 1.00 0.00 H new ATOM 0 HD3 PRO A 82 5.958 4.175 -3.721 1.00 0.00 H new ATOM 1212 N SER A 83 2.025 0.952 -5.815 1.00 0.00 N ATOM 1213 CA SER A 83 1.380 -0.355 -5.859 1.00 0.00 C ATOM 1214 C SER A 83 2.217 -1.349 -6.659 1.00 0.00 C ATOM 1215 O SER A 83 1.771 -2.456 -6.954 1.00 0.00 O ATOM 1216 CB SER A 83 -0.017 -0.237 -6.472 1.00 0.00 C ATOM 1217 OG SER A 83 0.057 0.058 -7.856 1.00 0.00 O ATOM 0 H SER A 83 1.626 1.641 -6.453 1.00 0.00 H new ATOM 0 HA SER A 83 1.291 -0.723 -4.837 1.00 0.00 H new ATOM 0 HB2 SER A 83 -0.562 -1.169 -6.324 1.00 0.00 H new ATOM 0 HB3 SER A 83 -0.578 0.545 -5.960 1.00 0.00 H new ATOM 0 HG SER A 83 0.562 0.887 -7.987 1.00 0.00 H new ATOM 1223 N ASN A 84 3.434 -0.943 -7.006 1.00 0.00 N ATOM 1224 CA ASN A 84 4.334 -1.796 -7.773 1.00 0.00 C ATOM 1225 C ASN A 84 5.437 -2.361 -6.883 1.00 0.00 C ATOM 1226 O ASN A 84 6.141 -3.296 -7.267 1.00 0.00 O ATOM 1227 CB ASN A 84 4.951 -1.011 -8.932 1.00 0.00 C ATOM 1228 CG ASN A 84 5.100 0.465 -8.616 1.00 0.00 C ATOM 1229 OD1 ASN A 84 6.174 0.922 -8.226 1.00 0.00 O ATOM 1230 ND2 ASN A 84 4.019 1.218 -8.785 1.00 0.00 N ATOM 0 H ASN A 84 3.819 -0.029 -6.768 1.00 0.00 H new ATOM 0 HA ASN A 84 3.753 -2.627 -8.174 1.00 0.00 H new ATOM 0 HB2 ASN A 84 5.929 -1.429 -9.171 1.00 0.00 H new ATOM 0 HB3 ASN A 84 4.329 -1.129 -9.819 1.00 0.00 H new ATOM 0 HD21 ASN A 84 4.059 2.218 -8.589 1.00 0.00 H new ATOM 0 HD22 ASN A 84 3.149 0.796 -9.110 1.00 0.00 H new ATOM 1237 N TYR A 85 5.581 -1.788 -5.694 1.00 0.00 N ATOM 1238 CA TYR A 85 6.600 -2.233 -4.749 1.00 0.00 C ATOM 1239 C TYR A 85 6.022 -3.241 -3.760 1.00 0.00 C ATOM 1240 O TYR A 85 6.673 -3.612 -2.783 1.00 0.00 O ATOM 1241 CB TYR A 85 7.182 -1.037 -3.994 1.00 0.00 C ATOM 1242 CG TYR A 85 8.390 -0.426 -4.668 1.00 0.00 C ATOM 1243 CD1 TYR A 85 8.268 0.258 -5.871 1.00 0.00 C ATOM 1244 CD2 TYR A 85 9.654 -0.532 -4.100 1.00 0.00 C ATOM 1245 CE1 TYR A 85 9.370 0.817 -6.490 1.00 0.00 C ATOM 1246 CE2 TYR A 85 10.761 0.025 -4.711 1.00 0.00 C ATOM 1247 CZ TYR A 85 10.614 0.698 -5.906 1.00 0.00 C ATOM 1248 OH TYR A 85 11.713 1.254 -6.519 1.00 0.00 O ATOM 0 H TYR A 85 5.006 -1.014 -5.361 1.00 0.00 H new ATOM 0 HA TYR A 85 7.395 -2.720 -5.313 1.00 0.00 H new ATOM 0 HB2 TYR A 85 6.411 -0.274 -3.888 1.00 0.00 H new ATOM 0 HB3 TYR A 85 7.458 -1.352 -2.988 1.00 0.00 H new ATOM 0 HD1 TYR A 85 7.295 0.355 -6.330 1.00 0.00 H new ATOM 0 HD2 TYR A 85 9.773 -1.059 -3.165 1.00 0.00 H new ATOM 0 HE1 TYR A 85 9.258 1.344 -7.426 1.00 0.00 H new ATOM 0 HE2 TYR A 85 11.736 -0.066 -4.255 1.00 0.00 H new ATOM 0 HH TYR A 85 12.512 1.082 -5.978 1.00 0.00 H new ATOM 1258 N VAL A 86 4.795 -3.680 -4.022 1.00 0.00 N ATOM 1259 CA VAL A 86 4.129 -4.647 -3.157 1.00 0.00 C ATOM 1260 C VAL A 86 3.432 -5.727 -3.975 1.00 0.00 C ATOM 1261 O VAL A 86 2.941 -5.470 -5.074 1.00 0.00 O ATOM 1262 CB VAL A 86 3.095 -3.962 -2.243 1.00 0.00 C ATOM 1263 CG1 VAL A 86 3.747 -2.849 -1.438 1.00 0.00 C ATOM 1264 CG2 VAL A 86 1.931 -3.427 -3.064 1.00 0.00 C ATOM 0 H VAL A 86 4.242 -3.382 -4.826 1.00 0.00 H new ATOM 0 HA VAL A 86 4.902 -5.106 -2.540 1.00 0.00 H new ATOM 0 HB VAL A 86 2.707 -4.703 -1.544 1.00 0.00 H new ATOM 0 HG11 VAL A 86 3.001 -2.377 -0.799 1.00 0.00 H new ATOM 0 HG12 VAL A 86 4.543 -3.265 -0.821 1.00 0.00 H new ATOM 0 HG13 VAL A 86 4.165 -2.106 -2.117 1.00 0.00 H new ATOM 0 HG21 VAL A 86 1.210 -2.946 -2.403 1.00 0.00 H new ATOM 0 HG22 VAL A 86 2.300 -2.701 -3.788 1.00 0.00 H new ATOM 0 HG23 VAL A 86 1.448 -4.250 -3.590 1.00 0.00 H new ATOM 1274 N LYS A 87 3.391 -6.939 -3.432 1.00 0.00 N ATOM 1275 CA LYS A 87 2.753 -8.061 -4.110 1.00 0.00 C ATOM 1276 C LYS A 87 1.683 -8.694 -3.225 1.00 0.00 C ATOM 1277 O LYS A 87 1.970 -9.145 -2.116 1.00 0.00 O ATOM 1278 CB LYS A 87 3.796 -9.111 -4.497 1.00 0.00 C ATOM 1279 CG LYS A 87 3.271 -10.168 -5.452 1.00 0.00 C ATOM 1280 CD LYS A 87 4.044 -11.470 -5.325 1.00 0.00 C ATOM 1281 CE LYS A 87 5.321 -11.443 -6.151 1.00 0.00 C ATOM 1282 NZ LYS A 87 5.036 -11.459 -7.613 1.00 0.00 N ATOM 0 H LYS A 87 3.793 -7.169 -2.523 1.00 0.00 H new ATOM 0 HA LYS A 87 2.276 -7.683 -5.014 1.00 0.00 H new ATOM 0 HB2 LYS A 87 4.649 -8.611 -4.955 1.00 0.00 H new ATOM 0 HB3 LYS A 87 4.160 -9.599 -3.593 1.00 0.00 H new ATOM 0 HG2 LYS A 87 2.215 -10.350 -5.250 1.00 0.00 H new ATOM 0 HG3 LYS A 87 3.341 -9.801 -6.476 1.00 0.00 H new ATOM 0 HD2 LYS A 87 4.290 -11.647 -4.278 1.00 0.00 H new ATOM 0 HD3 LYS A 87 3.417 -12.300 -5.650 1.00 0.00 H new ATOM 0 HE2 LYS A 87 5.895 -10.551 -5.903 1.00 0.00 H new ATOM 0 HE3 LYS A 87 5.939 -12.302 -5.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 5.876 -11.793 -8.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 4.237 -12.097 -7.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 4.795 -10.498 -7.930 1.00 0.00 H new ATOM 1296 N MET A 88 0.452 -8.725 -3.723 1.00 0.00 N ATOM 1297 CA MET A 88 -0.659 -9.306 -2.978 1.00 0.00 C ATOM 1298 C MET A 88 -0.266 -10.652 -2.377 1.00 0.00 C ATOM 1299 O MET A 88 0.085 -11.587 -3.098 1.00 0.00 O ATOM 1300 CB MET A 88 -1.878 -9.477 -3.887 1.00 0.00 C ATOM 1301 CG MET A 88 -2.783 -8.256 -3.926 1.00 0.00 C ATOM 1302 SD MET A 88 -4.117 -8.418 -5.127 1.00 0.00 S ATOM 1303 CE MET A 88 -4.818 -6.771 -5.079 1.00 0.00 C ATOM 0 H MET A 88 0.198 -8.355 -4.639 1.00 0.00 H new ATOM 0 HA MET A 88 -0.914 -8.625 -2.166 1.00 0.00 H new ATOM 0 HB2 MET A 88 -1.538 -9.700 -4.898 1.00 0.00 H new ATOM 0 HB3 MET A 88 -2.456 -10.337 -3.548 1.00 0.00 H new ATOM 0 HG2 MET A 88 -3.209 -8.092 -2.936 1.00 0.00 H new ATOM 0 HG3 MET A 88 -2.188 -7.375 -4.167 1.00 0.00 H new ATOM 0 HE1 MET A 88 -5.657 -6.713 -5.772 1.00 0.00 H new ATOM 0 HE2 MET A 88 -5.165 -6.553 -4.069 1.00 0.00 H new ATOM 0 HE3 MET A 88 -4.059 -6.044 -5.367 1.00 0.00 H new ATOM 1313 N THR A 89 -0.328 -10.745 -1.052 1.00 0.00 N ATOM 1314 CA THR A 89 0.023 -11.975 -0.355 1.00 0.00 C ATOM 1315 C THR A 89 -0.974 -13.086 -0.665 1.00 0.00 C ATOM 1316 O THR A 89 -0.601 -14.253 -0.793 1.00 0.00 O ATOM 1317 CB THR A 89 0.078 -11.761 1.170 1.00 0.00 C ATOM 1318 OG1 THR A 89 -1.202 -11.339 1.652 1.00 0.00 O ATOM 1319 CG2 THR A 89 1.130 -10.723 1.532 1.00 0.00 C ATOM 0 H THR A 89 -0.618 -9.982 -0.440 1.00 0.00 H new ATOM 0 HA THR A 89 1.011 -12.268 -0.709 1.00 0.00 H new ATOM 0 HB THR A 89 0.347 -12.708 1.639 1.00 0.00 H new ATOM 0 HG1 THR A 89 -1.414 -10.455 1.287 1.00 0.00 H new ATOM 0 HG21 THR A 89 1.151 -10.588 2.613 1.00 0.00 H new ATOM 0 HG22 THR A 89 2.108 -11.061 1.189 1.00 0.00 H new ATOM 0 HG23 THR A 89 0.886 -9.775 1.053 1.00 0.00 H new ATOM 1327 N THR A 90 -2.246 -12.717 -0.785 1.00 0.00 N ATOM 1328 CA THR A 90 -3.297 -13.682 -1.079 1.00 0.00 C ATOM 1329 C THR A 90 -3.400 -14.736 0.018 1.00 0.00 C ATOM 1330 O THR A 90 -3.617 -15.915 -0.259 1.00 0.00 O ATOM 1331 CB THR A 90 -3.053 -14.385 -2.428 1.00 0.00 C ATOM 1332 OG1 THR A 90 -2.769 -13.414 -3.442 1.00 0.00 O ATOM 1333 CG2 THR A 90 -4.263 -15.212 -2.835 1.00 0.00 C ATOM 0 H THR A 90 -2.572 -11.756 -0.683 1.00 0.00 H new ATOM 0 HA THR A 90 -4.232 -13.124 -1.132 1.00 0.00 H new ATOM 0 HB THR A 90 -2.199 -15.053 -2.315 1.00 0.00 H new ATOM 0 HG1 THR A 90 -2.613 -13.869 -4.296 1.00 0.00 H new ATOM 0 HG21 THR A 90 -4.067 -15.699 -3.790 1.00 0.00 H new ATOM 0 HG22 THR A 90 -4.458 -15.969 -2.076 1.00 0.00 H new ATOM 0 HG23 THR A 90 -5.133 -14.562 -2.931 1.00 0.00 H new ATOM 1341 N ASP A 91 -3.243 -14.302 1.264 1.00 0.00 N ATOM 1342 CA ASP A 91 -3.320 -15.208 2.404 1.00 0.00 C ATOM 1343 C ASP A 91 -4.316 -14.695 3.439 1.00 0.00 C ATOM 1344 O ASP A 91 -4.049 -14.726 4.641 1.00 0.00 O ATOM 1345 CB ASP A 91 -1.941 -15.375 3.044 1.00 0.00 C ATOM 1346 CG ASP A 91 -1.803 -16.688 3.789 1.00 0.00 C ATOM 1347 OD1 ASP A 91 -2.823 -17.184 4.311 1.00 0.00 O ATOM 1348 OD2 ASP A 91 -0.675 -17.221 3.850 1.00 0.00 O ATOM 0 H ASP A 91 -3.062 -13.329 1.510 1.00 0.00 H new ATOM 0 HA ASP A 91 -3.664 -16.177 2.044 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -1.175 -15.318 2.270 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -1.761 -14.549 3.733 1.00 0.00 H new ATOM 1353 N SER A 92 -5.464 -14.223 2.965 1.00 0.00 N ATOM 1354 CA SER A 92 -6.498 -13.698 3.849 1.00 0.00 C ATOM 1355 C SER A 92 -7.674 -14.666 3.944 1.00 0.00 C ATOM 1356 O SER A 92 -8.024 -15.332 2.969 1.00 0.00 O ATOM 1357 CB SER A 92 -6.983 -12.336 3.350 1.00 0.00 C ATOM 1358 OG SER A 92 -7.646 -12.456 2.103 1.00 0.00 O ATOM 0 H SER A 92 -5.702 -14.193 1.974 1.00 0.00 H new ATOM 0 HA SER A 92 -6.066 -13.579 4.843 1.00 0.00 H new ATOM 0 HB2 SER A 92 -7.658 -11.896 4.084 1.00 0.00 H new ATOM 0 HB3 SER A 92 -6.135 -11.658 3.251 1.00 0.00 H new ATOM 0 HG SER A 92 -7.948 -11.572 1.807 1.00 0.00 H new ATOM 1364 N SER A 93 -8.281 -14.737 5.124 1.00 0.00 N ATOM 1365 CA SER A 93 -9.415 -15.625 5.349 1.00 0.00 C ATOM 1366 C SER A 93 -10.733 -14.875 5.187 1.00 0.00 C ATOM 1367 O SER A 93 -10.748 -13.664 4.969 1.00 0.00 O ATOM 1368 CB SER A 93 -9.336 -16.245 6.745 1.00 0.00 C ATOM 1369 OG SER A 93 -9.519 -15.263 7.750 1.00 0.00 O ATOM 0 H SER A 93 -8.006 -14.190 5.940 1.00 0.00 H new ATOM 0 HA SER A 93 -9.375 -16.420 4.604 1.00 0.00 H new ATOM 0 HB2 SER A 93 -10.096 -17.019 6.846 1.00 0.00 H new ATOM 0 HB3 SER A 93 -8.368 -16.729 6.877 1.00 0.00 H new ATOM 0 HG SER A 93 -9.466 -15.685 8.633 1.00 0.00 H new ATOM 1375 N GLY A 94 -11.840 -15.604 5.295 1.00 0.00 N ATOM 1376 CA GLY A 94 -13.148 -14.992 5.158 1.00 0.00 C ATOM 1377 C GLY A 94 -13.416 -13.951 6.227 1.00 0.00 C ATOM 1378 O GLY A 94 -12.496 -13.407 6.839 1.00 0.00 O ATOM 0 H GLY A 94 -11.854 -16.608 5.475 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -13.227 -14.528 4.175 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -13.915 -15.765 5.208 1.00 0.00 H new ATOM 1382 N PRO A 95 -14.703 -13.658 6.464 1.00 0.00 N ATOM 1383 CA PRO A 95 -15.120 -12.672 7.466 1.00 0.00 C ATOM 1384 C PRO A 95 -14.865 -13.151 8.891 1.00 0.00 C ATOM 1385 O PRO A 95 -15.407 -14.169 9.320 1.00 0.00 O ATOM 1386 CB PRO A 95 -16.622 -12.522 7.213 1.00 0.00 C ATOM 1387 CG PRO A 95 -17.031 -13.809 6.585 1.00 0.00 C ATOM 1388 CD PRO A 95 -15.852 -14.267 5.772 1.00 0.00 C ATOM 0 HA PRO A 95 -14.564 -11.739 7.376 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -17.164 -12.345 8.142 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -16.830 -11.677 6.556 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -17.292 -14.547 7.343 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -17.910 -13.674 5.955 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -15.777 -15.354 5.750 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -15.922 -13.931 4.738 1.00 0.00 H new ATOM 1396 N SER A 96 -14.036 -12.410 9.620 1.00 0.00 N ATOM 1397 CA SER A 96 -13.707 -12.762 10.996 1.00 0.00 C ATOM 1398 C SER A 96 -14.838 -12.371 11.942 1.00 0.00 C ATOM 1399 O SER A 96 -14.931 -11.223 12.376 1.00 0.00 O ATOM 1400 CB SER A 96 -12.409 -12.074 11.424 1.00 0.00 C ATOM 1401 OG SER A 96 -11.339 -12.421 10.562 1.00 0.00 O ATOM 0 H SER A 96 -13.580 -11.563 9.281 1.00 0.00 H new ATOM 0 HA SER A 96 -13.572 -13.842 11.046 1.00 0.00 H new ATOM 0 HB2 SER A 96 -12.548 -10.993 11.419 1.00 0.00 H new ATOM 0 HB3 SER A 96 -12.163 -12.359 12.447 1.00 0.00 H new ATOM 0 HG SER A 96 -10.522 -11.967 10.856 1.00 0.00 H new ATOM 1407 N SER A 97 -15.697 -13.336 12.257 1.00 0.00 N ATOM 1408 CA SER A 97 -16.826 -13.094 13.148 1.00 0.00 C ATOM 1409 C SER A 97 -16.361 -12.993 14.598 1.00 0.00 C ATOM 1410 O SER A 97 -15.809 -13.943 15.152 1.00 0.00 O ATOM 1411 CB SER A 97 -17.862 -14.210 13.009 1.00 0.00 C ATOM 1412 OG SER A 97 -18.424 -14.225 11.708 1.00 0.00 O ATOM 0 H SER A 97 -15.632 -14.292 11.908 1.00 0.00 H new ATOM 0 HA SER A 97 -17.284 -12.147 12.864 1.00 0.00 H new ATOM 0 HB2 SER A 97 -17.395 -15.172 13.218 1.00 0.00 H new ATOM 0 HB3 SER A 97 -18.651 -14.072 13.748 1.00 0.00 H new ATOM 0 HG SER A 97 -19.082 -14.948 11.644 1.00 0.00 H new ATOM 1418 N GLY A 98 -16.590 -11.834 15.208 1.00 0.00 N ATOM 1419 CA GLY A 98 -16.189 -11.630 16.587 1.00 0.00 C ATOM 1420 C GLY A 98 -15.760 -10.202 16.861 1.00 0.00 C ATOM 1421 O GLY A 98 -16.527 -9.264 16.644 1.00 0.00 O ATOM 0 H GLY A 98 -17.046 -11.033 14.771 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -17.018 -11.890 17.245 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -15.368 -12.305 16.827 1.00 0.00 H new TER 1425 GLY A 98