USER MOD reduce.3.24.130724 H: found=0, std=0, add=843, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 844 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 72 THR OG1 : rot 92:sc= 0.173 USER MOD Set 1.2: A 91 LYS NZ :NH3+ -142:sc= -0.263 (180deg=-0.725) USER MOD Set 2.1: A 87 TYR OH : rot -27:sc= -1.74! USER MOD Set 2.2: A 89 GLN : amide:sc= -3.27! C(o=-5!,f=-17!) USER MOD Set 3.1: A 23 GLN : amide:sc= -2.75! K(o=-2.8!,f=-1.8) USER MOD Set 3.2: A 32 GLN : amide:sc= 0 K(o=-2.8,f=-1.8) USER MOD Set 4.1: A 17 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 19 THR OG1 : rot 87:sc= 0.132 USER MOD Set 5.1: A 12 THR OG1 : rot 48:sc= 1.03 USER MOD Set 5.2: A 15 SER OG : rot 55:sc= 2.03 USER MOD Single : A 8 SER OG : rot 23:sc= -1.73 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 TYR OH : rot -40:sc= -0.899! USER MOD Single : A 27 ASN : amide:sc= -0.0765 X(o=-0.076,f=-0.15) USER MOD Single : A 36 SER OG : rot 154:sc= -1.85 USER MOD Single : A 41 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0.00139 USER MOD Single : A 50 TYR OH : rot 114:sc= -3.1! USER MOD Single : A 53 ASN : amide:sc= -3.2 K(o=-3.2,f=-8.1!) USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.427 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 33:sc= 0.364 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 34:sc= 1.3 USER MOD Single : A 62 SER OG : rot 180:sc= -0.119 USER MOD Single : A 63 LYS NZ :NH3+ -135:sc= -2.96 (180deg=-8.12!) USER MOD Single : A 65 ASN : amide:sc= -5.78! K(o=-5.8!,f=-3.9) USER MOD Single : A 66 THR OG1 : rot -170:sc= -1.53 USER MOD Single : A 69 MET CE :methyl -136:sc= -22.1! (180deg=-31.6!) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 TYR OH : rot 93:sc= 0.384 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0.0138 USER MOD Single : A 90 THR OG1 : rot 44:sc= 0.0515 USER MOD Single : A 92 THR OG1 : rot 180:sc= 0.0318 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 97 ASN : amide:sc= -0.0356 X(o=-0.036,f=-0.3) USER MOD Single : A 98 HIS : no HE2:sc= -19.8! C(o=-20!,f=-24!) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot 180:sc= -0.0935 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 111 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 MET CE :methyl -174:sc= -10.2! (180deg=-10.8!) USER MOD Single : A 113 ASN : amide:sc= -0.0565 K(o=-0.056,f=-4.6) USER MOD Single : A 115 HIS : no HD1:sc= -0.177 K(o=-0.18,f=-1.2) USER MOD Single : A 116 SER OG : rot 11:sc= -4.58! USER MOD Single : A 118 LYS NZ :NH3+ -153:sc= -0.21 (180deg=-0.587) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 8 7.592 -9.606 2.158 1.00 0.00 N ATOM 2 CA SER A 8 7.497 -8.191 2.509 1.00 0.00 C ATOM 3 C SER A 8 8.362 -7.338 1.580 1.00 0.00 C ATOM 4 O SER A 8 9.588 -7.331 1.693 1.00 0.00 O ATOM 5 CB SER A 8 7.931 -7.975 3.959 1.00 0.00 C ATOM 6 OG SER A 8 7.630 -9.107 4.757 1.00 0.00 O ATOM 0 HA SER A 8 6.457 -7.885 2.395 1.00 0.00 H new ATOM 0 HB2 SER A 8 9.002 -7.775 3.995 1.00 0.00 H new ATOM 0 HB3 SER A 8 7.429 -7.097 4.365 1.00 0.00 H new ATOM 0 HG SER A 8 7.554 -9.899 4.185 1.00 0.00 H new ATOM 12 N TRP A 9 7.716 -6.612 0.665 1.00 0.00 N ATOM 13 CA TRP A 9 8.435 -5.752 -0.275 1.00 0.00 C ATOM 14 C TRP A 9 7.548 -4.624 -0.788 1.00 0.00 C ATOM 15 O TRP A 9 6.325 -4.756 -0.858 1.00 0.00 O ATOM 16 CB TRP A 9 9.016 -6.558 -1.449 1.00 0.00 C ATOM 17 CG TRP A 9 8.002 -7.227 -2.337 1.00 0.00 C ATOM 18 CD1 TRP A 9 7.794 -6.993 -3.667 1.00 0.00 C ATOM 19 CD2 TRP A 9 7.082 -8.257 -1.968 1.00 0.00 C ATOM 20 NE1 TRP A 9 6.799 -7.817 -4.144 1.00 0.00 N ATOM 21 CE2 TRP A 9 6.346 -8.604 -3.117 1.00 0.00 C ATOM 22 CE3 TRP A 9 6.808 -8.920 -0.779 1.00 0.00 C ATOM 23 CZ2 TRP A 9 5.355 -9.591 -3.096 1.00 0.00 C ATOM 24 CZ3 TRP A 9 5.835 -9.887 -0.762 1.00 0.00 C ATOM 25 CH2 TRP A 9 5.119 -10.219 -1.901 1.00 0.00 C ATOM 0 H TRP A 9 6.702 -6.603 0.556 1.00 0.00 H new ATOM 0 HA TRP A 9 9.267 -5.308 0.272 1.00 0.00 H new ATOM 0 HB2 TRP A 9 9.625 -5.891 -2.060 1.00 0.00 H new ATOM 0 HB3 TRP A 9 9.683 -7.321 -1.049 1.00 0.00 H new ATOM 0 HD1 TRP A 9 8.332 -6.267 -4.259 1.00 0.00 H new ATOM 0 HE1 TRP A 9 6.455 -7.838 -5.104 1.00 0.00 H new ATOM 0 HE3 TRP A 9 7.354 -8.677 0.121 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 4.799 -9.848 -3.985 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 5.622 -10.403 0.163 1.00 0.00 H new ATOM 0 HH2 TRP A 9 4.361 -10.987 -1.846 1.00 0.00 H new ATOM 36 N THR A 10 8.181 -3.504 -1.127 1.00 0.00 N ATOM 37 CA THR A 10 7.470 -2.328 -1.617 1.00 0.00 C ATOM 38 C THR A 10 7.194 -2.418 -3.111 1.00 0.00 C ATOM 39 O THR A 10 8.043 -2.851 -3.889 1.00 0.00 O ATOM 40 CB THR A 10 8.286 -1.066 -1.336 1.00 0.00 C ATOM 41 OG1 THR A 10 9.059 -1.217 -0.159 1.00 0.00 O ATOM 42 CG2 THR A 10 7.437 0.173 -1.172 1.00 0.00 C ATOM 0 H THR A 10 9.193 -3.387 -1.070 1.00 0.00 H new ATOM 0 HA THR A 10 6.516 -2.283 -1.092 1.00 0.00 H new ATOM 0 HB THR A 10 8.923 -0.936 -2.211 1.00 0.00 H new ATOM 0 HG1 THR A 10 9.574 -0.399 0.001 1.00 0.00 H new ATOM 0 HG21 THR A 10 8.080 1.031 -0.975 1.00 0.00 H new ATOM 0 HG22 THR A 10 6.868 0.348 -2.085 1.00 0.00 H new ATOM 0 HG23 THR A 10 6.750 0.035 -0.337 1.00 0.00 H new ATOM 50 N TYR A 11 6.005 -1.976 -3.505 1.00 0.00 N ATOM 51 CA TYR A 11 5.616 -1.974 -4.908 1.00 0.00 C ATOM 52 C TYR A 11 5.646 -0.548 -5.443 1.00 0.00 C ATOM 53 O TYR A 11 4.749 0.244 -5.161 1.00 0.00 O ATOM 54 CB TYR A 11 4.212 -2.567 -5.082 1.00 0.00 C ATOM 55 CG TYR A 11 3.955 -3.805 -4.248 1.00 0.00 C ATOM 56 CD1 TYR A 11 5.003 -4.609 -3.815 1.00 0.00 C ATOM 57 CD2 TYR A 11 2.660 -4.171 -3.897 1.00 0.00 C ATOM 58 CE1 TYR A 11 4.768 -5.738 -3.056 1.00 0.00 C ATOM 59 CE2 TYR A 11 2.420 -5.302 -3.138 1.00 0.00 C ATOM 60 CZ TYR A 11 3.477 -6.081 -2.720 1.00 0.00 C ATOM 61 OH TYR A 11 3.243 -7.208 -1.966 1.00 0.00 O ATOM 0 H TYR A 11 5.293 -1.614 -2.870 1.00 0.00 H new ATOM 0 HA TYR A 11 6.321 -2.589 -5.468 1.00 0.00 H new ATOM 0 HB2 TYR A 11 3.474 -1.808 -4.823 1.00 0.00 H new ATOM 0 HB3 TYR A 11 4.061 -2.812 -6.133 1.00 0.00 H new ATOM 0 HD1 TYR A 11 6.017 -4.346 -4.077 1.00 0.00 H new ATOM 0 HD2 TYR A 11 1.829 -3.563 -4.222 1.00 0.00 H new ATOM 0 HE1 TYR A 11 5.594 -6.351 -2.727 1.00 0.00 H new ATOM 0 HE2 TYR A 11 1.409 -5.573 -2.874 1.00 0.00 H new ATOM 0 HH TYR A 11 3.837 -7.929 -2.262 1.00 0.00 H new ATOM 71 N THR A 12 6.683 -0.215 -6.204 1.00 0.00 N ATOM 72 CA THR A 12 6.818 1.129 -6.759 1.00 0.00 C ATOM 73 C THR A 12 5.547 1.541 -7.501 1.00 0.00 C ATOM 74 O THR A 12 4.978 0.756 -8.261 1.00 0.00 O ATOM 75 CB THR A 12 8.029 1.201 -7.688 1.00 0.00 C ATOM 76 OG1 THR A 12 8.031 0.115 -8.598 1.00 0.00 O ATOM 77 CG2 THR A 12 9.347 1.184 -6.945 1.00 0.00 C ATOM 0 H THR A 12 7.440 -0.853 -6.450 1.00 0.00 H new ATOM 0 HA THR A 12 6.970 1.826 -5.935 1.00 0.00 H new ATOM 0 HB THR A 12 7.937 2.151 -8.214 1.00 0.00 H new ATOM 0 HG1 THR A 12 7.141 0.021 -8.997 1.00 0.00 H new ATOM 0 HG21 THR A 12 10.168 1.237 -7.660 1.00 0.00 H new ATOM 0 HG22 THR A 12 9.396 2.040 -6.271 1.00 0.00 H new ATOM 0 HG23 THR A 12 9.428 0.263 -6.368 1.00 0.00 H new ATOM 85 N ALA A 13 5.094 2.767 -7.257 1.00 0.00 N ATOM 86 CA ALA A 13 3.875 3.277 -7.880 1.00 0.00 C ATOM 87 C ALA A 13 4.034 3.498 -9.381 1.00 0.00 C ATOM 88 O ALA A 13 3.043 3.596 -10.104 1.00 0.00 O ATOM 89 CB ALA A 13 3.435 4.561 -7.194 1.00 0.00 C ATOM 0 H ALA A 13 5.554 3.428 -6.631 1.00 0.00 H new ATOM 0 HA ALA A 13 3.104 2.517 -7.754 1.00 0.00 H new ATOM 0 HB1 ALA A 13 2.526 4.933 -7.666 1.00 0.00 H new ATOM 0 HB2 ALA A 13 3.241 4.362 -6.140 1.00 0.00 H new ATOM 0 HB3 ALA A 13 4.222 5.310 -7.284 1.00 0.00 H new ATOM 95 N ALA A 14 5.272 3.573 -9.856 1.00 0.00 N ATOM 96 CA ALA A 14 5.515 3.778 -11.279 1.00 0.00 C ATOM 97 C ALA A 14 5.127 2.541 -12.077 1.00 0.00 C ATOM 98 O ALA A 14 4.807 2.630 -13.263 1.00 0.00 O ATOM 99 CB ALA A 14 6.961 4.164 -11.529 1.00 0.00 C ATOM 0 H ALA A 14 6.114 3.496 -9.285 1.00 0.00 H new ATOM 0 HA ALA A 14 4.888 4.603 -11.618 1.00 0.00 H new ATOM 0 HB1 ALA A 14 7.119 4.312 -12.597 1.00 0.00 H new ATOM 0 HB2 ALA A 14 7.188 5.088 -10.998 1.00 0.00 H new ATOM 0 HB3 ALA A 14 7.617 3.370 -11.172 1.00 0.00 H new ATOM 105 N SER A 15 5.122 1.391 -11.413 1.00 0.00 N ATOM 106 CA SER A 15 4.734 0.144 -12.055 1.00 0.00 C ATOM 107 C SER A 15 3.217 -0.035 -11.971 1.00 0.00 C ATOM 108 O SER A 15 2.669 -1.032 -12.443 1.00 0.00 O ATOM 109 CB SER A 15 5.444 -1.040 -11.396 1.00 0.00 C ATOM 110 OG SER A 15 5.862 -0.717 -10.082 1.00 0.00 O ATOM 0 H SER A 15 5.382 1.298 -10.431 1.00 0.00 H new ATOM 0 HA SER A 15 5.029 0.183 -13.104 1.00 0.00 H new ATOM 0 HB2 SER A 15 4.774 -1.899 -11.367 1.00 0.00 H new ATOM 0 HB3 SER A 15 6.308 -1.329 -11.995 1.00 0.00 H new ATOM 0 HG SER A 15 5.093 -0.404 -9.562 1.00 0.00 H new ATOM 116 N ALA A 16 2.548 0.945 -11.361 1.00 0.00 N ATOM 117 CA ALA A 16 1.101 0.917 -11.201 1.00 0.00 C ATOM 118 C ALA A 16 0.423 1.799 -12.247 1.00 0.00 C ATOM 119 O ALA A 16 1.037 2.173 -13.246 1.00 0.00 O ATOM 120 CB ALA A 16 0.730 1.376 -9.797 1.00 0.00 C ATOM 0 H ALA A 16 2.994 1.774 -10.968 1.00 0.00 H new ATOM 0 HA ALA A 16 0.752 -0.106 -11.346 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -0.354 1.354 -9.681 1.00 0.00 H new ATOM 0 HB2 ALA A 16 1.187 0.711 -9.064 1.00 0.00 H new ATOM 0 HB3 ALA A 16 1.091 2.392 -9.639 1.00 0.00 H new ATOM 126 N SER A 17 -0.844 2.131 -12.013 1.00 0.00 N ATOM 127 CA SER A 17 -1.597 2.969 -12.938 1.00 0.00 C ATOM 128 C SER A 17 -1.871 4.344 -12.331 1.00 0.00 C ATOM 129 O SER A 17 -2.742 4.493 -11.477 1.00 0.00 O ATOM 130 CB SER A 17 -2.917 2.294 -13.311 1.00 0.00 C ATOM 131 OG SER A 17 -3.792 3.204 -13.953 1.00 0.00 O ATOM 0 H SER A 17 -1.369 1.832 -11.191 1.00 0.00 H new ATOM 0 HA SER A 17 -0.996 3.102 -13.838 1.00 0.00 H new ATOM 0 HB2 SER A 17 -2.723 1.447 -13.968 1.00 0.00 H new ATOM 0 HB3 SER A 17 -3.393 1.899 -12.414 1.00 0.00 H new ATOM 0 HG SER A 17 -4.628 2.747 -14.183 1.00 0.00 H new ATOM 137 N ILE A 18 -1.121 5.343 -12.783 1.00 0.00 N ATOM 138 CA ILE A 18 -1.277 6.707 -12.292 1.00 0.00 C ATOM 139 C ILE A 18 -2.334 7.456 -13.106 1.00 0.00 C ATOM 140 O ILE A 18 -2.028 8.064 -14.131 1.00 0.00 O ATOM 141 CB ILE A 18 0.077 7.466 -12.335 1.00 0.00 C ATOM 142 CG1 ILE A 18 0.896 7.168 -11.089 1.00 0.00 C ATOM 143 CG2 ILE A 18 -0.108 8.959 -12.462 1.00 0.00 C ATOM 144 CD1 ILE A 18 1.533 5.823 -11.133 1.00 0.00 C ATOM 0 H ILE A 18 -0.396 5.233 -13.492 1.00 0.00 H new ATOM 0 HA ILE A 18 -1.610 6.657 -11.255 1.00 0.00 H new ATOM 0 HB ILE A 18 0.606 7.113 -13.220 1.00 0.00 H new ATOM 0 HG12 ILE A 18 1.668 7.929 -10.975 1.00 0.00 H new ATOM 0 HG13 ILE A 18 0.253 7.233 -10.211 1.00 0.00 H new ATOM 0 HG21 ILE A 18 0.867 9.446 -12.488 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -0.649 9.182 -13.382 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -0.676 9.329 -11.608 1.00 0.00 H new ATOM 0 HD11 ILE A 18 2.105 5.661 -10.220 1.00 0.00 H new ATOM 0 HD12 ILE A 18 0.762 5.058 -11.218 1.00 0.00 H new ATOM 0 HD13 ILE A 18 2.199 5.764 -11.994 1.00 0.00 H new ATOM 156 N THR A 19 -3.580 7.401 -12.641 1.00 0.00 N ATOM 157 CA THR A 19 -4.680 8.070 -13.325 1.00 0.00 C ATOM 158 C THR A 19 -4.848 9.496 -12.809 1.00 0.00 C ATOM 159 O THR A 19 -4.870 9.731 -11.602 1.00 0.00 O ATOM 160 CB THR A 19 -5.980 7.287 -13.131 1.00 0.00 C ATOM 161 OG1 THR A 19 -5.763 5.900 -13.320 1.00 0.00 O ATOM 162 CG2 THR A 19 -7.083 7.711 -14.076 1.00 0.00 C ATOM 0 H THR A 19 -3.851 6.901 -11.795 1.00 0.00 H new ATOM 0 HA THR A 19 -4.446 8.111 -14.389 1.00 0.00 H new ATOM 0 HB THR A 19 -6.296 7.503 -12.110 1.00 0.00 H new ATOM 0 HG1 THR A 19 -5.474 5.496 -12.475 1.00 0.00 H new ATOM 0 HG21 THR A 19 -7.976 7.116 -13.884 1.00 0.00 H new ATOM 0 HG22 THR A 19 -7.310 8.766 -13.920 1.00 0.00 H new ATOM 0 HG23 THR A 19 -6.759 7.558 -15.105 1.00 0.00 H new ATOM 170 N ALA A 20 -4.968 10.447 -13.733 1.00 0.00 N ATOM 171 CA ALA A 20 -5.133 11.852 -13.370 1.00 0.00 C ATOM 172 C ALA A 20 -6.205 12.025 -12.293 1.00 0.00 C ATOM 173 O ALA A 20 -7.177 11.270 -12.250 1.00 0.00 O ATOM 174 CB ALA A 20 -5.480 12.677 -14.600 1.00 0.00 C ATOM 0 H ALA A 20 -4.954 10.270 -14.737 1.00 0.00 H new ATOM 0 HA ALA A 20 -4.187 12.207 -12.961 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -5.600 13.722 -14.315 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -4.679 12.591 -15.334 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -6.410 12.310 -15.034 1.00 0.00 H new ATOM 180 N PRO A 21 -6.040 13.019 -11.399 1.00 0.00 N ATOM 181 CA PRO A 21 -4.898 13.946 -11.410 1.00 0.00 C ATOM 182 C PRO A 21 -3.608 13.324 -10.876 1.00 0.00 C ATOM 183 O PRO A 21 -2.628 14.030 -10.649 1.00 0.00 O ATOM 184 CB PRO A 21 -5.360 15.054 -10.471 1.00 0.00 C ATOM 185 CG PRO A 21 -6.216 14.341 -9.486 1.00 0.00 C ATOM 186 CD PRO A 21 -6.974 13.329 -10.299 1.00 0.00 C ATOM 0 HA PRO A 21 -4.653 14.269 -12.422 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -4.517 15.547 -9.987 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -5.917 15.825 -11.003 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -5.615 13.859 -8.715 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -6.893 15.029 -8.979 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -7.217 12.442 -9.714 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -7.915 13.734 -10.671 1.00 0.00 H new ATOM 194 N ALA A 22 -3.606 12.010 -10.668 1.00 0.00 N ATOM 195 CA ALA A 22 -2.424 11.332 -10.153 1.00 0.00 C ATOM 196 C ALA A 22 -1.236 11.530 -11.084 1.00 0.00 C ATOM 197 O ALA A 22 -1.379 11.506 -12.306 1.00 0.00 O ATOM 198 CB ALA A 22 -2.697 9.851 -9.956 1.00 0.00 C ATOM 0 H ALA A 22 -4.403 11.399 -10.847 1.00 0.00 H new ATOM 0 HA ALA A 22 -2.180 11.771 -9.186 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -1.801 9.364 -9.571 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -3.514 9.723 -9.245 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -2.972 9.402 -10.910 1.00 0.00 H new ATOM 204 N GLN A 23 -0.062 11.732 -10.497 1.00 0.00 N ATOM 205 CA GLN A 23 1.154 11.944 -11.274 1.00 0.00 C ATOM 206 C GLN A 23 2.358 11.281 -10.612 1.00 0.00 C ATOM 207 O GLN A 23 2.757 11.653 -9.508 1.00 0.00 O ATOM 208 CB GLN A 23 1.441 13.441 -11.445 1.00 0.00 C ATOM 209 CG GLN A 23 0.204 14.300 -11.663 1.00 0.00 C ATOM 210 CD GLN A 23 -0.075 15.226 -10.496 1.00 0.00 C ATOM 211 OE1 GLN A 23 0.115 16.439 -10.592 1.00 0.00 O ATOM 212 NE2 GLN A 23 -0.527 14.658 -9.384 1.00 0.00 N ATOM 0 H GLN A 23 0.074 11.753 -9.486 1.00 0.00 H new ATOM 0 HA GLN A 23 0.991 11.491 -12.252 1.00 0.00 H new ATOM 0 HB2 GLN A 23 1.966 13.801 -10.560 1.00 0.00 H new ATOM 0 HB3 GLN A 23 2.114 13.575 -12.292 1.00 0.00 H new ATOM 0 HG2 GLN A 23 0.332 14.892 -12.569 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -0.659 13.654 -11.824 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -0.670 13.649 -9.349 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -0.731 15.231 -8.565 1.00 0.00 H new ATOM 221 N LEU A 24 2.942 10.307 -11.301 1.00 0.00 N ATOM 222 CA LEU A 24 4.111 9.604 -10.792 1.00 0.00 C ATOM 223 C LEU A 24 5.373 10.433 -11.026 1.00 0.00 C ATOM 224 O LEU A 24 5.799 10.618 -12.165 1.00 0.00 O ATOM 225 CB LEU A 24 4.240 8.250 -11.492 1.00 0.00 C ATOM 226 CG LEU A 24 4.473 7.042 -10.584 1.00 0.00 C ATOM 227 CD1 LEU A 24 5.946 6.917 -10.231 1.00 0.00 C ATOM 228 CD2 LEU A 24 3.629 7.118 -9.322 1.00 0.00 C ATOM 0 H LEU A 24 2.623 9.987 -12.215 1.00 0.00 H new ATOM 0 HA LEU A 24 3.991 9.447 -9.720 1.00 0.00 H new ATOM 0 HB2 LEU A 24 3.332 8.075 -12.070 1.00 0.00 H new ATOM 0 HB3 LEU A 24 5.064 8.309 -12.203 1.00 0.00 H new ATOM 0 HG LEU A 24 4.166 6.152 -11.134 1.00 0.00 H new ATOM 0 HD11 LEU A 24 6.093 6.052 -9.584 1.00 0.00 H new ATOM 0 HD12 LEU A 24 6.529 6.791 -11.143 1.00 0.00 H new ATOM 0 HD13 LEU A 24 6.273 7.818 -9.712 1.00 0.00 H new ATOM 0 HD21 LEU A 24 3.822 6.242 -8.702 1.00 0.00 H new ATOM 0 HD22 LEU A 24 3.886 8.020 -8.766 1.00 0.00 H new ATOM 0 HD23 LEU A 24 2.573 7.146 -9.592 1.00 0.00 H new ATOM 240 N VAL A 25 5.964 10.931 -9.945 1.00 0.00 N ATOM 241 CA VAL A 25 7.173 11.740 -10.046 1.00 0.00 C ATOM 242 C VAL A 25 8.424 10.870 -9.991 1.00 0.00 C ATOM 243 O VAL A 25 8.980 10.630 -8.918 1.00 0.00 O ATOM 244 CB VAL A 25 7.244 12.788 -8.919 1.00 0.00 C ATOM 245 CG1 VAL A 25 8.400 13.748 -9.154 1.00 0.00 C ATOM 246 CG2 VAL A 25 5.927 13.543 -8.810 1.00 0.00 C ATOM 0 H VAL A 25 5.627 10.789 -8.993 1.00 0.00 H new ATOM 0 HA VAL A 25 7.130 12.251 -11.008 1.00 0.00 H new ATOM 0 HB VAL A 25 7.419 12.270 -7.976 1.00 0.00 H new ATOM 0 HG11 VAL A 25 8.434 14.481 -8.348 1.00 0.00 H new ATOM 0 HG12 VAL A 25 9.337 13.191 -9.178 1.00 0.00 H new ATOM 0 HG13 VAL A 25 8.259 14.261 -10.105 1.00 0.00 H new ATOM 0 HG21 VAL A 25 5.995 14.279 -8.009 1.00 0.00 H new ATOM 0 HG22 VAL A 25 5.719 14.050 -9.752 1.00 0.00 H new ATOM 0 HG23 VAL A 25 5.122 12.841 -8.591 1.00 0.00 H new ATOM 256 N GLY A 26 8.858 10.389 -11.154 1.00 0.00 N ATOM 257 CA GLY A 26 10.036 9.544 -11.215 1.00 0.00 C ATOM 258 C GLY A 26 9.763 8.152 -10.689 1.00 0.00 C ATOM 259 O GLY A 26 9.991 7.160 -11.381 1.00 0.00 O ATOM 0 H GLY A 26 8.414 10.570 -12.054 1.00 0.00 H new ATOM 0 HA2 GLY A 26 10.383 9.480 -12.246 1.00 0.00 H new ATOM 0 HA3 GLY A 26 10.839 9.999 -10.636 1.00 0.00 H new ATOM 263 N ASN A 27 9.263 8.082 -9.462 1.00 0.00 N ATOM 264 CA ASN A 27 8.943 6.814 -8.834 1.00 0.00 C ATOM 265 C ASN A 27 7.874 6.997 -7.759 1.00 0.00 C ATOM 266 O ASN A 27 7.012 6.136 -7.576 1.00 0.00 O ATOM 267 CB ASN A 27 10.198 6.183 -8.227 1.00 0.00 C ATOM 268 CG ASN A 27 10.921 5.280 -9.207 1.00 0.00 C ATOM 269 OD1 ASN A 27 11.900 5.682 -9.833 1.00 0.00 O ATOM 270 ND2 ASN A 27 10.437 4.051 -9.346 1.00 0.00 N ATOM 0 H ASN A 27 9.070 8.898 -8.881 1.00 0.00 H new ATOM 0 HA ASN A 27 8.552 6.146 -9.601 1.00 0.00 H new ATOM 0 HB2 ASN A 27 10.874 6.971 -7.896 1.00 0.00 H new ATOM 0 HB3 ASN A 27 9.922 5.608 -7.343 1.00 0.00 H new ATOM 0 HD21 ASN A 27 10.880 3.398 -9.993 1.00 0.00 H new ATOM 0 HD22 ASN A 27 9.622 3.760 -8.806 1.00 0.00 H new ATOM 277 N VAL A 28 7.932 8.123 -7.054 1.00 0.00 N ATOM 278 CA VAL A 28 6.965 8.418 -6.004 1.00 0.00 C ATOM 279 C VAL A 28 5.674 8.974 -6.594 1.00 0.00 C ATOM 280 O VAL A 28 5.695 9.945 -7.350 1.00 0.00 O ATOM 281 CB VAL A 28 7.525 9.430 -4.985 1.00 0.00 C ATOM 282 CG1 VAL A 28 6.684 9.433 -3.717 1.00 0.00 C ATOM 283 CG2 VAL A 28 8.980 9.123 -4.667 1.00 0.00 C ATOM 0 H VAL A 28 8.639 8.846 -7.191 1.00 0.00 H new ATOM 0 HA VAL A 28 6.759 7.478 -5.492 1.00 0.00 H new ATOM 0 HB VAL A 28 7.478 10.425 -5.428 1.00 0.00 H new ATOM 0 HG11 VAL A 28 7.095 10.153 -3.010 1.00 0.00 H new ATOM 0 HG12 VAL A 28 5.658 9.709 -3.961 1.00 0.00 H new ATOM 0 HG13 VAL A 28 6.696 8.439 -3.270 1.00 0.00 H new ATOM 0 HG21 VAL A 28 9.356 9.849 -3.946 1.00 0.00 H new ATOM 0 HG22 VAL A 28 9.057 8.120 -4.246 1.00 0.00 H new ATOM 0 HG23 VAL A 28 9.572 9.179 -5.581 1.00 0.00 H new ATOM 293 N GLY A 29 4.552 8.352 -6.248 1.00 0.00 N ATOM 294 CA GLY A 29 3.271 8.800 -6.758 1.00 0.00 C ATOM 295 C GLY A 29 2.738 10.006 -6.018 1.00 0.00 C ATOM 296 O GLY A 29 3.115 10.257 -4.873 1.00 0.00 O ATOM 0 H GLY A 29 4.508 7.546 -5.624 1.00 0.00 H new ATOM 0 HA2 GLY A 29 3.370 9.043 -7.816 1.00 0.00 H new ATOM 0 HA3 GLY A 29 2.550 7.986 -6.684 1.00 0.00 H new ATOM 300 N GLU A 30 1.860 10.755 -6.673 1.00 0.00 N ATOM 301 CA GLU A 30 1.275 11.945 -6.065 1.00 0.00 C ATOM 302 C GLU A 30 -0.134 12.191 -6.585 1.00 0.00 C ATOM 303 O GLU A 30 -0.318 12.716 -7.683 1.00 0.00 O ATOM 304 CB GLU A 30 2.152 13.167 -6.340 1.00 0.00 C ATOM 305 CG GLU A 30 3.615 12.963 -5.976 1.00 0.00 C ATOM 306 CD GLU A 30 4.363 14.271 -5.814 1.00 0.00 C ATOM 307 OE1 GLU A 30 3.874 15.302 -6.320 1.00 0.00 O ATOM 308 OE2 GLU A 30 5.439 14.264 -5.179 1.00 0.00 O ATOM 0 H GLU A 30 1.538 10.561 -7.621 1.00 0.00 H new ATOM 0 HA GLU A 30 1.219 11.779 -4.989 1.00 0.00 H new ATOM 0 HB2 GLU A 30 2.082 13.423 -7.397 1.00 0.00 H new ATOM 0 HB3 GLU A 30 1.762 14.017 -5.780 1.00 0.00 H new ATOM 0 HG2 GLU A 30 3.679 12.395 -5.048 1.00 0.00 H new ATOM 0 HG3 GLU A 30 4.098 12.366 -6.749 1.00 0.00 H new ATOM 315 N LEU A 31 -1.129 11.817 -5.786 1.00 0.00 N ATOM 316 CA LEU A 31 -2.519 12.012 -6.170 1.00 0.00 C ATOM 317 C LEU A 31 -2.953 13.447 -5.902 1.00 0.00 C ATOM 318 O LEU A 31 -2.363 14.140 -5.072 1.00 0.00 O ATOM 319 CB LEU A 31 -3.441 11.068 -5.399 1.00 0.00 C ATOM 320 CG LEU A 31 -3.206 9.581 -5.656 1.00 0.00 C ATOM 321 CD1 LEU A 31 -4.069 8.728 -4.734 1.00 0.00 C ATOM 322 CD2 LEU A 31 -3.491 9.263 -7.112 1.00 0.00 C ATOM 0 H LEU A 31 -0.998 11.380 -4.874 1.00 0.00 H new ATOM 0 HA LEU A 31 -2.595 11.797 -7.236 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -3.323 11.260 -4.333 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.474 11.306 -5.653 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.163 9.346 -5.442 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.884 7.673 -4.936 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.820 8.948 -3.696 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -5.121 8.952 -4.910 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.322 8.201 -7.292 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.527 9.510 -7.342 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.828 9.849 -7.749 1.00 0.00 H new ATOM 334 N GLN A 32 -4.002 13.877 -6.588 1.00 0.00 N ATOM 335 CA GLN A 32 -4.535 15.221 -6.409 1.00 0.00 C ATOM 336 C GLN A 32 -6.032 15.142 -6.129 1.00 0.00 C ATOM 337 O GLN A 32 -6.515 14.113 -5.660 1.00 0.00 O ATOM 338 CB GLN A 32 -4.256 16.073 -7.649 1.00 0.00 C ATOM 339 CG GLN A 32 -3.685 17.444 -7.328 1.00 0.00 C ATOM 340 CD GLN A 32 -2.638 17.887 -8.330 1.00 0.00 C ATOM 341 OE1 GLN A 32 -2.952 18.190 -9.482 1.00 0.00 O ATOM 342 NE2 GLN A 32 -1.383 17.929 -7.897 1.00 0.00 N ATOM 0 H GLN A 32 -4.502 13.314 -7.275 1.00 0.00 H new ATOM 0 HA GLN A 32 -4.044 15.694 -5.559 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -3.559 15.541 -8.296 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -5.182 16.196 -8.211 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -4.494 18.174 -7.306 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -3.244 17.426 -6.331 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -1.167 17.670 -6.935 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -0.636 18.221 -8.527 1.00 0.00 H new ATOM 351 N GLY A 33 -6.767 16.216 -6.421 1.00 0.00 N ATOM 352 CA GLY A 33 -8.205 16.216 -6.191 1.00 0.00 C ATOM 353 C GLY A 33 -8.853 14.904 -6.598 1.00 0.00 C ATOM 354 O GLY A 33 -8.246 14.109 -7.317 1.00 0.00 O ATOM 0 H GLY A 33 -6.395 17.082 -6.811 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -8.402 16.404 -5.136 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -8.660 17.033 -6.751 1.00 0.00 H new ATOM 358 N ALA A 34 -10.082 14.670 -6.138 1.00 0.00 N ATOM 359 CA ALA A 34 -10.800 13.435 -6.459 1.00 0.00 C ATOM 360 C ALA A 34 -10.584 13.033 -7.921 1.00 0.00 C ATOM 361 O ALA A 34 -10.162 13.847 -8.743 1.00 0.00 O ATOM 362 CB ALA A 34 -12.291 13.601 -6.197 1.00 0.00 C ATOM 0 H ALA A 34 -10.601 15.317 -5.544 1.00 0.00 H new ATOM 0 HA ALA A 34 -10.404 12.648 -5.817 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -12.809 12.673 -6.441 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -12.451 13.840 -5.146 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -12.682 14.408 -6.816 1.00 0.00 H new ATOM 368 N GLY A 35 -10.885 11.781 -8.242 1.00 0.00 N ATOM 369 CA GLY A 35 -10.721 11.304 -9.603 1.00 0.00 C ATOM 370 C GLY A 35 -9.442 10.511 -9.795 1.00 0.00 C ATOM 371 O GLY A 35 -9.365 9.651 -10.671 1.00 0.00 O ATOM 0 H GLY A 35 -11.240 11.087 -7.584 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -11.574 10.680 -9.870 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -10.722 12.155 -10.284 1.00 0.00 H new ATOM 375 N SER A 36 -8.436 10.805 -8.978 1.00 0.00 N ATOM 376 CA SER A 36 -7.155 10.116 -9.066 1.00 0.00 C ATOM 377 C SER A 36 -7.298 8.657 -8.652 1.00 0.00 C ATOM 378 O SER A 36 -8.149 8.315 -7.832 1.00 0.00 O ATOM 379 CB SER A 36 -6.109 10.809 -8.185 1.00 0.00 C ATOM 380 OG SER A 36 -6.596 12.040 -7.674 1.00 0.00 O ATOM 0 H SER A 36 -8.484 11.516 -8.248 1.00 0.00 H new ATOM 0 HA SER A 36 -6.822 10.154 -10.103 1.00 0.00 H new ATOM 0 HB2 SER A 36 -5.835 10.153 -7.359 1.00 0.00 H new ATOM 0 HB3 SER A 36 -5.203 10.987 -8.765 1.00 0.00 H new ATOM 0 HG SER A 36 -6.138 12.249 -6.833 1.00 0.00 H new ATOM 386 N ALA A 37 -6.460 7.797 -9.221 1.00 0.00 N ATOM 387 CA ALA A 37 -6.505 6.379 -8.897 1.00 0.00 C ATOM 388 C ALA A 37 -5.190 5.682 -9.215 1.00 0.00 C ATOM 389 O ALA A 37 -4.956 5.255 -10.347 1.00 0.00 O ATOM 390 CB ALA A 37 -7.649 5.698 -9.632 1.00 0.00 C ATOM 0 H ALA A 37 -5.747 8.056 -9.903 1.00 0.00 H new ATOM 0 HA ALA A 37 -6.673 6.298 -7.823 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -7.666 4.638 -9.377 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -8.594 6.157 -9.340 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -7.509 5.810 -10.707 1.00 0.00 H new ATOM 396 N VAL A 38 -4.349 5.536 -8.198 1.00 0.00 N ATOM 397 CA VAL A 38 -3.073 4.848 -8.356 1.00 0.00 C ATOM 398 C VAL A 38 -3.312 3.362 -8.158 1.00 0.00 C ATOM 399 O VAL A 38 -3.233 2.855 -7.039 1.00 0.00 O ATOM 400 CB VAL A 38 -2.003 5.328 -7.337 1.00 0.00 C ATOM 401 CG1 VAL A 38 -0.725 5.736 -8.049 1.00 0.00 C ATOM 402 CG2 VAL A 38 -2.516 6.480 -6.489 1.00 0.00 C ATOM 0 H VAL A 38 -4.527 5.884 -7.256 1.00 0.00 H new ATOM 0 HA VAL A 38 -2.690 5.069 -9.352 1.00 0.00 H new ATOM 0 HB VAL A 38 -1.787 4.489 -6.675 1.00 0.00 H new ATOM 0 HG11 VAL A 38 0.010 6.069 -7.316 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -0.328 4.884 -8.600 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -0.939 6.549 -8.743 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -1.741 6.789 -5.788 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -2.777 7.319 -7.134 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -3.399 6.160 -5.936 1.00 0.00 H new ATOM 412 N ILE A 39 -3.639 2.671 -9.239 1.00 0.00 N ATOM 413 CA ILE A 39 -3.930 1.251 -9.158 1.00 0.00 C ATOM 414 C ILE A 39 -2.702 0.393 -9.432 1.00 0.00 C ATOM 415 O ILE A 39 -2.173 0.372 -10.544 1.00 0.00 O ATOM 416 CB ILE A 39 -5.055 0.851 -10.133 1.00 0.00 C ATOM 417 CG1 ILE A 39 -6.248 1.798 -9.985 1.00 0.00 C ATOM 418 CG2 ILE A 39 -5.481 -0.588 -9.893 1.00 0.00 C ATOM 419 CD1 ILE A 39 -6.809 1.848 -8.579 1.00 0.00 C ATOM 0 H ILE A 39 -3.709 3.068 -10.176 1.00 0.00 H new ATOM 0 HA ILE A 39 -4.257 1.068 -8.134 1.00 0.00 H new ATOM 0 HB ILE A 39 -4.676 0.930 -11.152 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -5.944 2.802 -10.282 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -7.036 1.487 -10.671 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -6.276 -0.853 -10.590 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -4.629 -1.250 -10.046 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -5.844 -0.694 -8.871 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -7.652 2.539 -8.548 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -7.144 0.853 -8.285 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -6.035 2.188 -7.891 1.00 0.00 H new ATOM 431 N TRP A 40 -2.272 -0.328 -8.406 1.00 0.00 N ATOM 432 CA TRP A 40 -1.123 -1.217 -8.504 1.00 0.00 C ATOM 433 C TRP A 40 -1.543 -2.558 -9.103 1.00 0.00 C ATOM 434 O TRP A 40 -2.661 -3.022 -8.876 1.00 0.00 O ATOM 435 CB TRP A 40 -0.528 -1.438 -7.115 1.00 0.00 C ATOM 436 CG TRP A 40 0.735 -0.675 -6.859 1.00 0.00 C ATOM 437 CD1 TRP A 40 1.988 -1.009 -7.278 1.00 0.00 C ATOM 438 CD2 TRP A 40 0.872 0.539 -6.107 1.00 0.00 C ATOM 439 NE1 TRP A 40 2.896 -0.083 -6.831 1.00 0.00 N ATOM 440 CE2 TRP A 40 2.235 0.876 -6.107 1.00 0.00 C ATOM 441 CE3 TRP A 40 -0.026 1.370 -5.433 1.00 0.00 C ATOM 442 CZ2 TRP A 40 2.721 2.008 -5.455 1.00 0.00 C ATOM 443 CZ3 TRP A 40 0.457 2.492 -4.787 1.00 0.00 C ATOM 444 CH2 TRP A 40 1.820 2.801 -4.801 1.00 0.00 C ATOM 0 H TRP A 40 -2.709 -0.313 -7.484 1.00 0.00 H new ATOM 0 HA TRP A 40 -0.375 -0.760 -9.152 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -1.268 -1.156 -6.366 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -0.330 -2.502 -6.982 1.00 0.00 H new ATOM 0 HD1 TRP A 40 2.231 -1.876 -7.875 1.00 0.00 H new ATOM 0 HE1 TRP A 40 3.900 -0.104 -7.008 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -1.081 1.139 -5.417 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 3.773 2.250 -5.466 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -0.230 3.140 -4.263 1.00 0.00 H new ATOM 0 HH2 TRP A 40 2.168 3.684 -4.285 1.00 0.00 H new ATOM 455 N ASN A 41 -0.646 -3.179 -9.862 1.00 0.00 N ATOM 456 CA ASN A 41 -0.940 -4.467 -10.482 1.00 0.00 C ATOM 457 C ASN A 41 -0.116 -5.584 -9.848 1.00 0.00 C ATOM 458 O ASN A 41 1.107 -5.615 -9.975 1.00 0.00 O ATOM 459 CB ASN A 41 -0.668 -4.411 -11.986 1.00 0.00 C ATOM 460 CG ASN A 41 -1.266 -3.181 -12.637 1.00 0.00 C ATOM 461 OD1 ASN A 41 -0.593 -2.164 -12.807 1.00 0.00 O ATOM 462 ND2 ASN A 41 -2.539 -3.265 -13.004 1.00 0.00 N ATOM 0 H ASN A 41 0.285 -2.814 -10.062 1.00 0.00 H new ATOM 0 HA ASN A 41 -1.996 -4.682 -10.318 1.00 0.00 H new ATOM 0 HB2 ASN A 41 0.408 -4.423 -12.158 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -1.076 -5.304 -12.460 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -2.996 -2.467 -13.446 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -3.060 -4.127 -12.844 1.00 0.00 H new ATOM 469 N VAL A 42 -0.799 -6.503 -9.172 1.00 0.00 N ATOM 470 CA VAL A 42 -0.134 -7.628 -8.524 1.00 0.00 C ATOM 471 C VAL A 42 -1.043 -8.852 -8.488 1.00 0.00 C ATOM 472 O VAL A 42 -2.267 -8.732 -8.534 1.00 0.00 O ATOM 473 CB VAL A 42 0.298 -7.280 -7.084 1.00 0.00 C ATOM 474 CG1 VAL A 42 1.192 -6.052 -7.078 1.00 0.00 C ATOM 475 CG2 VAL A 42 -0.917 -7.068 -6.191 1.00 0.00 C ATOM 0 H VAL A 42 -1.813 -6.491 -9.059 1.00 0.00 H new ATOM 0 HA VAL A 42 0.755 -7.852 -9.114 1.00 0.00 H new ATOM 0 HB VAL A 42 0.867 -8.120 -6.685 1.00 0.00 H new ATOM 0 HG11 VAL A 42 1.487 -5.822 -6.054 1.00 0.00 H new ATOM 0 HG12 VAL A 42 2.082 -6.247 -7.677 1.00 0.00 H new ATOM 0 HG13 VAL A 42 0.650 -5.205 -7.499 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -0.588 -6.824 -5.181 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -1.519 -6.249 -6.584 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -1.515 -7.979 -6.168 1.00 0.00 H new ATOM 485 N ASP A 43 -0.436 -10.030 -8.407 1.00 0.00 N ATOM 486 CA ASP A 43 -1.188 -11.277 -8.367 1.00 0.00 C ATOM 487 C ASP A 43 -0.915 -12.039 -7.071 1.00 0.00 C ATOM 488 O ASP A 43 0.219 -12.437 -6.807 1.00 0.00 O ATOM 489 CB ASP A 43 -0.824 -12.140 -9.575 1.00 0.00 C ATOM 490 CG ASP A 43 0.592 -12.681 -9.504 1.00 0.00 C ATOM 491 OD1 ASP A 43 1.504 -11.909 -9.141 1.00 0.00 O ATOM 492 OD2 ASP A 43 0.788 -13.876 -9.813 1.00 0.00 O ATOM 0 H ASP A 43 0.576 -10.147 -8.368 1.00 0.00 H new ATOM 0 HA ASP A 43 -2.252 -11.041 -8.402 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -1.524 -12.973 -9.645 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -0.938 -11.551 -10.485 1.00 0.00 H new ATOM 497 N VAL A 44 -1.963 -12.227 -6.265 1.00 0.00 N ATOM 498 CA VAL A 44 -1.843 -12.937 -4.983 1.00 0.00 C ATOM 499 C VAL A 44 -0.821 -14.075 -5.059 1.00 0.00 C ATOM 500 O VAL A 44 -1.063 -15.087 -5.718 1.00 0.00 O ATOM 501 CB VAL A 44 -3.184 -13.544 -4.487 1.00 0.00 C ATOM 502 CG1 VAL A 44 -3.557 -12.983 -3.123 1.00 0.00 C ATOM 503 CG2 VAL A 44 -4.320 -13.355 -5.484 1.00 0.00 C ATOM 0 H VAL A 44 -2.906 -11.898 -6.475 1.00 0.00 H new ATOM 0 HA VAL A 44 -1.517 -12.173 -4.277 1.00 0.00 H new ATOM 0 HB VAL A 44 -3.029 -14.619 -4.393 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -4.499 -13.421 -2.795 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -2.774 -13.224 -2.404 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -3.665 -11.901 -3.192 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -5.232 -13.799 -5.085 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -4.479 -12.291 -5.656 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -4.062 -13.840 -6.425 1.00 0.00 H new ATOM 513 N PRO A 45 0.334 -13.931 -4.385 1.00 0.00 N ATOM 514 CA PRO A 45 1.377 -14.961 -4.387 1.00 0.00 C ATOM 515 C PRO A 45 0.873 -16.308 -3.876 1.00 0.00 C ATOM 516 O PRO A 45 1.180 -17.351 -4.453 1.00 0.00 O ATOM 517 CB PRO A 45 2.450 -14.407 -3.442 1.00 0.00 C ATOM 518 CG PRO A 45 1.770 -13.334 -2.661 1.00 0.00 C ATOM 519 CD PRO A 45 0.720 -12.767 -3.571 1.00 0.00 C ATOM 0 HA PRO A 45 1.740 -15.153 -5.397 1.00 0.00 H new ATOM 0 HB2 PRO A 45 2.836 -15.187 -2.786 1.00 0.00 H new ATOM 0 HB3 PRO A 45 3.298 -14.010 -4.000 1.00 0.00 H new ATOM 0 HG2 PRO A 45 1.323 -13.736 -1.752 1.00 0.00 H new ATOM 0 HG3 PRO A 45 2.479 -12.565 -2.355 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -0.125 -12.365 -3.013 1.00 0.00 H new ATOM 0 HD3 PRO A 45 1.111 -11.956 -4.185 1.00 0.00 H new ATOM 527 N VAL A 46 0.106 -16.286 -2.787 1.00 0.00 N ATOM 528 CA VAL A 46 -0.419 -17.520 -2.211 1.00 0.00 C ATOM 529 C VAL A 46 -1.668 -17.266 -1.373 1.00 0.00 C ATOM 530 O VAL A 46 -2.208 -16.159 -1.355 1.00 0.00 O ATOM 531 CB VAL A 46 0.632 -18.247 -1.338 1.00 0.00 C ATOM 532 CG1 VAL A 46 1.117 -19.505 -2.038 1.00 0.00 C ATOM 533 CG2 VAL A 46 1.808 -17.335 -0.999 1.00 0.00 C ATOM 0 H VAL A 46 -0.163 -15.436 -2.291 1.00 0.00 H new ATOM 0 HA VAL A 46 -0.678 -18.158 -3.056 1.00 0.00 H new ATOM 0 HB VAL A 46 0.152 -18.526 -0.400 1.00 0.00 H new ATOM 0 HG11 VAL A 46 1.856 -20.007 -1.413 1.00 0.00 H new ATOM 0 HG12 VAL A 46 0.274 -20.173 -2.211 1.00 0.00 H new ATOM 0 HG13 VAL A 46 1.570 -19.238 -2.993 1.00 0.00 H new ATOM 0 HG21 VAL A 46 2.526 -17.879 -0.385 1.00 0.00 H new ATOM 0 HG22 VAL A 46 2.292 -17.008 -1.919 1.00 0.00 H new ATOM 0 HG23 VAL A 46 1.447 -16.465 -0.450 1.00 0.00 H new ATOM 543 N THR A 47 -2.123 -18.309 -0.686 1.00 0.00 N ATOM 544 CA THR A 47 -3.310 -18.223 0.156 1.00 0.00 C ATOM 545 C THR A 47 -2.932 -18.042 1.624 1.00 0.00 C ATOM 546 O THR A 47 -2.613 -19.009 2.316 1.00 0.00 O ATOM 547 CB THR A 47 -4.163 -19.485 -0.011 1.00 0.00 C ATOM 548 OG1 THR A 47 -3.652 -20.304 -1.049 1.00 0.00 O ATOM 549 CG2 THR A 47 -5.609 -19.192 -0.332 1.00 0.00 C ATOM 0 H THR A 47 -1.684 -19.229 -0.697 1.00 0.00 H new ATOM 0 HA THR A 47 -3.886 -17.352 -0.157 1.00 0.00 H new ATOM 0 HB THR A 47 -4.116 -19.992 0.953 1.00 0.00 H new ATOM 0 HG1 THR A 47 -4.210 -21.105 -1.138 1.00 0.00 H new ATOM 0 HG21 THR A 47 -6.156 -20.129 -0.437 1.00 0.00 H new ATOM 0 HG22 THR A 47 -6.049 -18.604 0.474 1.00 0.00 H new ATOM 0 HG23 THR A 47 -5.668 -18.631 -1.265 1.00 0.00 H new ATOM 557 N GLY A 48 -2.974 -16.799 2.094 1.00 0.00 N ATOM 558 CA GLY A 48 -2.635 -16.517 3.479 1.00 0.00 C ATOM 559 C GLY A 48 -3.149 -15.166 3.937 1.00 0.00 C ATOM 560 O GLY A 48 -4.217 -14.727 3.513 1.00 0.00 O ATOM 0 H GLY A 48 -3.236 -15.982 1.542 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -3.051 -17.296 4.118 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -1.552 -16.550 3.599 1.00 0.00 H new ATOM 564 N GLU A 49 -2.389 -14.502 4.800 1.00 0.00 N ATOM 565 CA GLU A 49 -2.780 -13.191 5.304 1.00 0.00 C ATOM 566 C GLU A 49 -1.669 -12.176 5.094 1.00 0.00 C ATOM 567 O GLU A 49 -0.643 -12.216 5.773 1.00 0.00 O ATOM 568 CB GLU A 49 -3.138 -13.259 6.789 1.00 0.00 C ATOM 569 CG GLU A 49 -3.572 -11.920 7.370 1.00 0.00 C ATOM 570 CD GLU A 49 -3.995 -12.024 8.822 1.00 0.00 C ATOM 571 OE1 GLU A 49 -3.454 -12.894 9.536 1.00 0.00 O ATOM 572 OE2 GLU A 49 -4.866 -11.235 9.245 1.00 0.00 O ATOM 0 H GLU A 49 -1.501 -14.848 5.164 1.00 0.00 H new ATOM 0 HA GLU A 49 -3.660 -12.874 4.744 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -3.940 -13.984 6.929 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -2.276 -13.626 7.346 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -2.751 -11.208 7.285 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -4.400 -11.524 6.782 1.00 0.00 H new ATOM 579 N TYR A 50 -1.879 -11.257 4.157 1.00 0.00 N ATOM 580 CA TYR A 50 -0.895 -10.230 3.876 1.00 0.00 C ATOM 581 C TYR A 50 -1.408 -8.887 4.372 1.00 0.00 C ATOM 582 O TYR A 50 -2.492 -8.444 3.989 1.00 0.00 O ATOM 583 CB TYR A 50 -0.592 -10.169 2.377 1.00 0.00 C ATOM 584 CG TYR A 50 -0.490 -11.523 1.701 1.00 0.00 C ATOM 585 CD1 TYR A 50 -0.189 -12.675 2.419 1.00 0.00 C ATOM 586 CD2 TYR A 50 -0.703 -11.644 0.335 1.00 0.00 C ATOM 587 CE1 TYR A 50 -0.104 -13.905 1.793 1.00 0.00 C ATOM 588 CE2 TYR A 50 -0.619 -12.869 -0.296 1.00 0.00 C ATOM 589 CZ TYR A 50 -0.321 -13.995 0.435 1.00 0.00 C ATOM 590 OH TYR A 50 -0.237 -15.215 -0.194 1.00 0.00 O ATOM 0 H TYR A 50 -2.721 -11.206 3.583 1.00 0.00 H new ATOM 0 HA TYR A 50 0.031 -10.473 4.396 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -1.372 -9.589 1.885 1.00 0.00 H new ATOM 0 HB3 TYR A 50 0.345 -9.632 2.230 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -0.019 -12.608 3.483 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -0.939 -10.764 -0.245 1.00 0.00 H new ATOM 0 HE1 TYR A 50 0.131 -14.790 2.365 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -0.787 -12.943 -1.360 1.00 0.00 H new ATOM 0 HH TYR A 50 -1.121 -15.472 -0.529 1.00 0.00 H new ATOM 600 N ARG A 51 -0.643 -8.253 5.246 1.00 0.00 N ATOM 601 CA ARG A 51 -1.046 -6.976 5.806 1.00 0.00 C ATOM 602 C ARG A 51 -0.667 -5.820 4.883 1.00 0.00 C ATOM 603 O ARG A 51 0.458 -5.737 4.391 1.00 0.00 O ATOM 604 CB ARG A 51 -0.441 -6.801 7.200 1.00 0.00 C ATOM 605 CG ARG A 51 1.076 -6.703 7.211 1.00 0.00 C ATOM 606 CD ARG A 51 1.563 -5.784 8.320 1.00 0.00 C ATOM 607 NE ARG A 51 2.908 -6.132 8.771 1.00 0.00 N ATOM 608 CZ ARG A 51 3.412 -5.772 9.950 1.00 0.00 C ATOM 609 NH1 ARG A 51 2.688 -5.051 10.798 1.00 0.00 N ATOM 610 NH2 ARG A 51 4.645 -6.131 10.282 1.00 0.00 N ATOM 0 H ARG A 51 0.256 -8.601 5.581 1.00 0.00 H new ATOM 0 HA ARG A 51 -2.132 -6.966 5.899 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -0.856 -5.901 7.654 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -0.745 -7.642 7.824 1.00 0.00 H new ATOM 0 HG2 ARG A 51 1.506 -7.696 7.344 1.00 0.00 H new ATOM 0 HG3 ARG A 51 1.425 -6.331 6.248 1.00 0.00 H new ATOM 0 HD2 ARG A 51 1.555 -4.753 7.966 1.00 0.00 H new ATOM 0 HD3 ARG A 51 0.874 -5.837 9.163 1.00 0.00 H new ATOM 0 HE ARG A 51 3.496 -6.683 8.146 1.00 0.00 H new ATOM 0 HH11 ARG A 51 1.740 -4.770 10.548 1.00 0.00 H new ATOM 0 HH12 ARG A 51 3.080 -4.779 11.699 1.00 0.00 H new ATOM 0 HH21 ARG A 51 5.207 -6.683 9.634 1.00 0.00 H new ATOM 0 HH22 ARG A 51 5.031 -5.855 11.185 1.00 0.00 H new ATOM 624 N ILE A 52 -1.636 -4.944 4.643 1.00 0.00 N ATOM 625 CA ILE A 52 -1.453 -3.793 3.768 1.00 0.00 C ATOM 626 C ILE A 52 -0.707 -2.665 4.465 1.00 0.00 C ATOM 627 O ILE A 52 -1.022 -2.294 5.594 1.00 0.00 O ATOM 628 CB ILE A 52 -2.819 -3.272 3.261 1.00 0.00 C ATOM 629 CG1 ILE A 52 -3.568 -4.388 2.530 1.00 0.00 C ATOM 630 CG2 ILE A 52 -2.644 -2.066 2.345 1.00 0.00 C ATOM 631 CD1 ILE A 52 -2.679 -5.219 1.628 1.00 0.00 C ATOM 0 H ILE A 52 -2.569 -5.012 5.049 1.00 0.00 H new ATOM 0 HA ILE A 52 -0.853 -4.127 2.921 1.00 0.00 H new ATOM 0 HB ILE A 52 -3.403 -2.956 4.125 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -4.039 -5.041 3.265 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -4.368 -3.949 1.934 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -3.621 -1.723 2.005 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -2.147 -1.264 2.891 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -2.039 -2.348 1.484 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -3.275 -5.991 1.141 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -2.228 -4.578 0.871 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -1.894 -5.687 2.222 1.00 0.00 H new ATOM 643 N ASN A 53 0.280 -2.117 3.769 1.00 0.00 N ATOM 644 CA ASN A 53 1.079 -1.021 4.293 1.00 0.00 C ATOM 645 C ASN A 53 1.245 0.057 3.231 1.00 0.00 C ATOM 646 O ASN A 53 2.007 -0.117 2.279 1.00 0.00 O ATOM 647 CB ASN A 53 2.449 -1.529 4.744 1.00 0.00 C ATOM 648 CG ASN A 53 2.349 -2.760 5.624 1.00 0.00 C ATOM 649 OD1 ASN A 53 1.681 -3.733 5.276 1.00 0.00 O ATOM 650 ND2 ASN A 53 3.014 -2.720 6.773 1.00 0.00 N ATOM 0 H ASN A 53 0.547 -2.418 2.832 1.00 0.00 H new ATOM 0 HA ASN A 53 0.565 -0.594 5.154 1.00 0.00 H new ATOM 0 HB2 ASN A 53 3.054 -1.761 3.867 1.00 0.00 H new ATOM 0 HB3 ASN A 53 2.966 -0.738 5.288 1.00 0.00 H new ATOM 0 HD21 ASN A 53 2.983 -3.518 7.408 1.00 0.00 H new ATOM 0 HD22 ASN A 53 3.555 -1.892 7.020 1.00 0.00 H new ATOM 657 N LEU A 54 0.526 1.165 3.382 1.00 0.00 N ATOM 658 CA LEU A 54 0.610 2.244 2.408 1.00 0.00 C ATOM 659 C LEU A 54 1.531 3.351 2.889 1.00 0.00 C ATOM 660 O LEU A 54 1.284 3.986 3.913 1.00 0.00 O ATOM 661 CB LEU A 54 -0.782 2.822 2.084 1.00 0.00 C ATOM 662 CG LEU A 54 -1.398 2.381 0.744 1.00 0.00 C ATOM 663 CD1 LEU A 54 -2.226 3.493 0.121 1.00 0.00 C ATOM 664 CD2 LEU A 54 -0.325 1.945 -0.241 1.00 0.00 C ATOM 0 H LEU A 54 -0.112 1.337 4.159 1.00 0.00 H new ATOM 0 HA LEU A 54 1.026 1.817 1.496 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -1.466 2.542 2.886 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -0.713 3.910 2.089 1.00 0.00 H new ATOM 0 HG LEU A 54 -2.048 1.534 0.961 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -2.646 3.148 -0.824 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -3.034 3.768 0.799 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -1.592 4.361 -0.059 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.793 1.640 -1.177 1.00 0.00 H new ATOM 0 HD22 LEU A 54 0.355 2.776 -0.429 1.00 0.00 H new ATOM 0 HD23 LEU A 54 0.233 1.107 0.176 1.00 0.00 H new ATOM 676 N THR A 55 2.588 3.577 2.122 1.00 0.00 N ATOM 677 CA THR A 55 3.556 4.617 2.437 1.00 0.00 C ATOM 678 C THR A 55 3.161 5.911 1.738 1.00 0.00 C ATOM 679 O THR A 55 2.981 5.936 0.520 1.00 0.00 O ATOM 680 CB THR A 55 4.962 4.184 2.015 1.00 0.00 C ATOM 681 OG1 THR A 55 5.068 2.772 2.005 1.00 0.00 O ATOM 682 CG2 THR A 55 6.052 4.719 2.919 1.00 0.00 C ATOM 0 H THR A 55 2.797 3.051 1.273 1.00 0.00 H new ATOM 0 HA THR A 55 3.563 4.784 3.514 1.00 0.00 H new ATOM 0 HB THR A 55 5.105 4.600 1.018 1.00 0.00 H new ATOM 0 HG1 THR A 55 5.973 2.514 1.731 1.00 0.00 H new ATOM 0 HG21 THR A 55 7.022 4.374 2.562 1.00 0.00 H new ATOM 0 HG22 THR A 55 6.029 5.809 2.911 1.00 0.00 H new ATOM 0 HG23 THR A 55 5.890 4.360 3.935 1.00 0.00 H new ATOM 690 N TRP A 56 3.000 6.977 2.512 1.00 0.00 N ATOM 691 CA TRP A 56 2.596 8.260 1.953 1.00 0.00 C ATOM 692 C TRP A 56 3.232 9.424 2.708 1.00 0.00 C ATOM 693 O TRP A 56 3.788 9.248 3.794 1.00 0.00 O ATOM 694 CB TRP A 56 1.072 8.385 1.995 1.00 0.00 C ATOM 695 CG TRP A 56 0.497 8.127 3.354 1.00 0.00 C ATOM 696 CD1 TRP A 56 0.671 7.011 4.124 1.00 0.00 C ATOM 697 CD2 TRP A 56 -0.343 9.004 4.109 1.00 0.00 C ATOM 698 NE1 TRP A 56 -0.007 7.148 5.312 1.00 0.00 N ATOM 699 CE2 TRP A 56 -0.635 8.358 5.324 1.00 0.00 C ATOM 700 CE3 TRP A 56 -0.877 10.274 3.878 1.00 0.00 C ATOM 701 CZ2 TRP A 56 -1.432 8.934 6.302 1.00 0.00 C ATOM 702 CZ3 TRP A 56 -1.671 10.846 4.854 1.00 0.00 C ATOM 703 CH2 TRP A 56 -1.938 10.173 6.053 1.00 0.00 C ATOM 0 H TRP A 56 3.142 6.979 3.522 1.00 0.00 H new ATOM 0 HA TRP A 56 2.941 8.302 0.920 1.00 0.00 H new ATOM 0 HB2 TRP A 56 0.787 9.386 1.671 1.00 0.00 H new ATOM 0 HB3 TRP A 56 0.636 7.683 1.284 1.00 0.00 H new ATOM 0 HD1 TRP A 56 1.255 6.148 3.841 1.00 0.00 H new ATOM 0 HE1 TRP A 56 -0.036 6.457 6.062 1.00 0.00 H new ATOM 0 HE3 TRP A 56 -0.674 10.798 2.956 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 -1.643 8.418 7.227 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 -2.092 11.827 4.690 1.00 0.00 H new ATOM 0 HH2 TRP A 56 -2.560 10.648 6.797 1.00 0.00 H new ATOM 714 N SER A 57 3.139 10.613 2.120 1.00 0.00 N ATOM 715 CA SER A 57 3.698 11.817 2.722 1.00 0.00 C ATOM 716 C SER A 57 2.970 13.060 2.217 1.00 0.00 C ATOM 717 O SER A 57 3.424 13.720 1.282 1.00 0.00 O ATOM 718 CB SER A 57 5.191 11.922 2.409 1.00 0.00 C ATOM 719 OG SER A 57 5.469 11.474 1.093 1.00 0.00 O ATOM 0 H SER A 57 2.679 10.768 1.223 1.00 0.00 H new ATOM 0 HA SER A 57 3.566 11.752 3.802 1.00 0.00 H new ATOM 0 HB2 SER A 57 5.517 12.956 2.521 1.00 0.00 H new ATOM 0 HB3 SER A 57 5.759 11.329 3.126 1.00 0.00 H new ATOM 0 HG SER A 57 6.430 11.553 0.917 1.00 0.00 H new ATOM 725 N SER A 58 1.837 13.372 2.840 1.00 0.00 N ATOM 726 CA SER A 58 1.044 14.535 2.455 1.00 0.00 C ATOM 727 C SER A 58 0.956 15.535 3.606 1.00 0.00 C ATOM 728 O SER A 58 -0.015 15.546 4.361 1.00 0.00 O ATOM 729 CB SER A 58 -0.361 14.104 2.030 1.00 0.00 C ATOM 730 OG SER A 58 -1.202 15.226 1.827 1.00 0.00 O ATOM 0 H SER A 58 1.447 12.835 3.615 1.00 0.00 H new ATOM 0 HA SER A 58 1.537 15.018 1.612 1.00 0.00 H new ATOM 0 HB2 SER A 58 -0.303 13.519 1.112 1.00 0.00 H new ATOM 0 HB3 SER A 58 -0.792 13.457 2.794 1.00 0.00 H new ATOM 0 HG SER A 58 -0.671 15.975 1.484 1.00 0.00 H new ATOM 736 N PRO A 59 1.985 16.386 3.757 1.00 0.00 N ATOM 737 CA PRO A 59 2.036 17.392 4.826 1.00 0.00 C ATOM 738 C PRO A 59 0.896 18.402 4.726 1.00 0.00 C ATOM 739 O PRO A 59 0.956 19.340 3.931 1.00 0.00 O ATOM 740 CB PRO A 59 3.384 18.091 4.608 1.00 0.00 C ATOM 741 CG PRO A 59 4.177 17.161 3.754 1.00 0.00 C ATOM 742 CD PRO A 59 3.180 16.431 2.902 1.00 0.00 C ATOM 0 HA PRO A 59 1.934 16.937 5.811 1.00 0.00 H new ATOM 0 HB2 PRO A 59 3.252 19.057 4.120 1.00 0.00 H new ATOM 0 HB3 PRO A 59 3.887 18.279 5.556 1.00 0.00 H new ATOM 0 HG2 PRO A 59 4.890 17.709 3.138 1.00 0.00 H new ATOM 0 HG3 PRO A 59 4.752 16.465 4.365 1.00 0.00 H new ATOM 0 HD2 PRO A 59 2.987 16.956 1.966 1.00 0.00 H new ATOM 0 HD3 PRO A 59 3.527 15.431 2.641 1.00 0.00 H new ATOM 750 N TYR A 60 -0.140 18.208 5.537 1.00 0.00 N ATOM 751 CA TYR A 60 -1.287 19.111 5.530 1.00 0.00 C ATOM 752 C TYR A 60 -2.043 19.077 6.862 1.00 0.00 C ATOM 753 O TYR A 60 -1.826 19.928 7.724 1.00 0.00 O ATOM 754 CB TYR A 60 -2.227 18.761 4.377 1.00 0.00 C ATOM 755 CG TYR A 60 -1.656 19.069 3.010 1.00 0.00 C ATOM 756 CD1 TYR A 60 -0.901 18.127 2.325 1.00 0.00 C ATOM 757 CD2 TYR A 60 -1.874 20.300 2.406 1.00 0.00 C ATOM 758 CE1 TYR A 60 -0.378 18.401 1.076 1.00 0.00 C ATOM 759 CE2 TYR A 60 -1.356 20.584 1.156 1.00 0.00 C ATOM 760 CZ TYR A 60 -0.608 19.631 0.496 1.00 0.00 C ATOM 761 OH TYR A 60 -0.090 19.909 -0.748 1.00 0.00 O ATOM 0 H TYR A 60 -0.209 17.439 6.203 1.00 0.00 H new ATOM 0 HA TYR A 60 -0.911 20.124 5.390 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -2.471 17.700 4.428 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -3.161 19.309 4.502 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -0.719 17.163 2.776 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -2.458 21.048 2.921 1.00 0.00 H new ATOM 0 HE1 TYR A 60 0.207 17.657 0.557 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -1.536 21.546 0.699 1.00 0.00 H new ATOM 0 HH TYR A 60 -0.345 20.817 -1.013 1.00 0.00 H new ATOM 771 N SER A 61 -2.937 18.099 7.027 1.00 0.00 N ATOM 772 CA SER A 61 -3.719 17.983 8.260 1.00 0.00 C ATOM 773 C SER A 61 -4.560 16.706 8.277 1.00 0.00 C ATOM 774 O SER A 61 -4.616 15.999 9.284 1.00 0.00 O ATOM 775 CB SER A 61 -4.629 19.202 8.418 1.00 0.00 C ATOM 776 OG SER A 61 -3.965 20.249 9.106 1.00 0.00 O ATOM 0 H SER A 61 -3.136 17.382 6.329 1.00 0.00 H new ATOM 0 HA SER A 61 -3.019 17.936 9.094 1.00 0.00 H new ATOM 0 HB2 SER A 61 -4.947 19.552 7.436 1.00 0.00 H new ATOM 0 HB3 SER A 61 -5.530 18.919 8.962 1.00 0.00 H new ATOM 0 HG SER A 61 -3.011 20.236 8.880 1.00 0.00 H new ATOM 782 N SER A 62 -5.222 16.424 7.160 1.00 0.00 N ATOM 783 CA SER A 62 -6.072 15.241 7.033 1.00 0.00 C ATOM 784 C SER A 62 -6.900 15.308 5.750 1.00 0.00 C ATOM 785 O SER A 62 -7.824 16.115 5.637 1.00 0.00 O ATOM 786 CB SER A 62 -6.999 15.109 8.247 1.00 0.00 C ATOM 787 OG SER A 62 -6.801 13.871 8.908 1.00 0.00 O ATOM 0 H SER A 62 -5.187 17.003 6.321 1.00 0.00 H new ATOM 0 HA SER A 62 -5.426 14.364 6.988 1.00 0.00 H new ATOM 0 HB2 SER A 62 -6.814 15.929 8.941 1.00 0.00 H new ATOM 0 HB3 SER A 62 -8.037 15.191 7.926 1.00 0.00 H new ATOM 0 HG SER A 62 -7.403 13.812 9.679 1.00 0.00 H new ATOM 793 N LYS A 63 -6.559 14.460 4.785 1.00 0.00 N ATOM 794 CA LYS A 63 -7.263 14.418 3.504 1.00 0.00 C ATOM 795 C LYS A 63 -8.378 13.374 3.546 1.00 0.00 C ATOM 796 O LYS A 63 -8.450 12.590 4.486 1.00 0.00 O ATOM 797 CB LYS A 63 -6.275 14.084 2.375 1.00 0.00 C ATOM 798 CG LYS A 63 -5.315 15.212 1.987 1.00 0.00 C ATOM 799 CD LYS A 63 -4.857 16.045 3.180 1.00 0.00 C ATOM 800 CE LYS A 63 -5.793 17.219 3.436 1.00 0.00 C ATOM 801 NZ LYS A 63 -5.228 18.186 4.415 1.00 0.00 N ATOM 0 H LYS A 63 -5.795 13.788 4.865 1.00 0.00 H new ATOM 0 HA LYS A 63 -7.706 15.396 3.314 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -5.687 13.216 2.675 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -6.844 13.794 1.492 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -4.442 14.785 1.494 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -5.803 15.864 1.263 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -4.811 15.415 4.068 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -3.848 16.416 3.000 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -5.994 17.732 2.496 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -6.748 16.846 3.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -5.962 18.454 5.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -4.430 17.746 4.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -4.897 19.035 3.913 1.00 0.00 H new ATOM 815 N VAL A 64 -9.242 13.354 2.526 1.00 0.00 N ATOM 816 CA VAL A 64 -10.332 12.379 2.481 1.00 0.00 C ATOM 817 C VAL A 64 -10.151 11.445 1.292 1.00 0.00 C ATOM 818 O VAL A 64 -10.779 11.624 0.252 1.00 0.00 O ATOM 819 CB VAL A 64 -11.706 13.069 2.381 1.00 0.00 C ATOM 820 CG1 VAL A 64 -12.828 12.046 2.476 1.00 0.00 C ATOM 821 CG2 VAL A 64 -11.849 14.130 3.462 1.00 0.00 C ATOM 0 H VAL A 64 -9.208 13.993 1.732 1.00 0.00 H new ATOM 0 HA VAL A 64 -10.300 11.809 3.409 1.00 0.00 H new ATOM 0 HB VAL A 64 -11.776 13.559 1.410 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -13.790 12.553 2.403 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -12.735 11.327 1.662 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -12.764 11.524 3.431 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -12.825 14.607 3.377 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -11.757 13.664 4.443 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -11.067 14.880 3.342 1.00 0.00 H new ATOM 831 N ASN A 65 -9.266 10.463 1.443 1.00 0.00 N ATOM 832 CA ASN A 65 -8.976 9.528 0.363 1.00 0.00 C ATOM 833 C ASN A 65 -9.447 8.114 0.688 1.00 0.00 C ATOM 834 O ASN A 65 -9.569 7.737 1.852 1.00 0.00 O ATOM 835 CB ASN A 65 -7.470 9.515 0.081 1.00 0.00 C ATOM 836 CG ASN A 65 -6.964 10.818 -0.523 1.00 0.00 C ATOM 837 OD1 ASN A 65 -6.307 10.813 -1.563 1.00 0.00 O ATOM 838 ND2 ASN A 65 -7.249 11.940 0.134 1.00 0.00 N ATOM 0 H ASN A 65 -8.739 10.295 2.300 1.00 0.00 H new ATOM 0 HA ASN A 65 -9.520 9.865 -0.519 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -6.934 9.320 1.010 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -7.241 8.694 -0.598 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -6.920 12.837 -0.222 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -7.797 11.903 0.994 1.00 0.00 H new ATOM 845 N THR A 66 -9.692 7.330 -0.357 1.00 0.00 N ATOM 846 CA THR A 66 -10.130 5.949 -0.195 1.00 0.00 C ATOM 847 C THR A 66 -9.062 4.996 -0.721 1.00 0.00 C ATOM 848 O THR A 66 -8.811 4.929 -1.924 1.00 0.00 O ATOM 849 CB THR A 66 -11.459 5.719 -0.925 1.00 0.00 C ATOM 850 OG1 THR A 66 -12.513 6.413 -0.280 1.00 0.00 O ATOM 851 CG2 THR A 66 -11.860 4.260 -1.007 1.00 0.00 C ATOM 0 H THR A 66 -9.594 7.629 -1.327 1.00 0.00 H new ATOM 0 HA THR A 66 -10.283 5.753 0.866 1.00 0.00 H new ATOM 0 HB THR A 66 -11.296 6.092 -1.936 1.00 0.00 H new ATOM 0 HG1 THR A 66 -13.371 6.131 -0.660 1.00 0.00 H new ATOM 0 HG21 THR A 66 -12.809 4.173 -1.536 1.00 0.00 H new ATOM 0 HG22 THR A 66 -11.093 3.701 -1.543 1.00 0.00 H new ATOM 0 HG23 THR A 66 -11.967 3.855 -0.001 1.00 0.00 H new ATOM 859 N LEU A 67 -8.432 4.268 0.193 1.00 0.00 N ATOM 860 CA LEU A 67 -7.382 3.324 -0.169 1.00 0.00 C ATOM 861 C LEU A 67 -7.973 2.073 -0.822 1.00 0.00 C ATOM 862 O LEU A 67 -8.962 1.517 -0.346 1.00 0.00 O ATOM 863 CB LEU A 67 -6.563 2.973 1.077 1.00 0.00 C ATOM 864 CG LEU A 67 -5.802 1.650 1.033 1.00 0.00 C ATOM 865 CD1 LEU A 67 -4.818 1.634 -0.118 1.00 0.00 C ATOM 866 CD2 LEU A 67 -5.075 1.409 2.348 1.00 0.00 C ATOM 0 H LEU A 67 -8.631 4.314 1.192 1.00 0.00 H new ATOM 0 HA LEU A 67 -6.721 3.785 -0.903 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -5.846 3.775 1.253 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -7.235 2.953 1.935 1.00 0.00 H new ATOM 0 HG LEU A 67 -6.525 0.849 0.880 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -4.287 0.682 -0.130 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -5.355 1.762 -1.058 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -4.102 2.447 0.004 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -4.538 0.462 2.299 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -4.367 2.218 2.526 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -5.798 1.374 3.163 1.00 0.00 H new ATOM 878 N VAL A 68 -7.367 1.653 -1.931 1.00 0.00 N ATOM 879 CA VAL A 68 -7.832 0.486 -2.677 1.00 0.00 C ATOM 880 C VAL A 68 -6.876 -0.694 -2.529 1.00 0.00 C ATOM 881 O VAL A 68 -5.790 -0.698 -3.105 1.00 0.00 O ATOM 882 CB VAL A 68 -7.980 0.822 -4.173 1.00 0.00 C ATOM 883 CG1 VAL A 68 -8.588 -0.340 -4.941 1.00 0.00 C ATOM 884 CG2 VAL A 68 -8.815 2.078 -4.354 1.00 0.00 C ATOM 0 H VAL A 68 -6.548 2.107 -2.335 1.00 0.00 H new ATOM 0 HA VAL A 68 -8.801 0.208 -2.262 1.00 0.00 H new ATOM 0 HB VAL A 68 -6.984 1.004 -4.577 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -8.680 -0.072 -5.994 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -7.946 -1.216 -4.844 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -9.575 -0.567 -4.537 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -8.910 2.302 -5.417 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -9.805 1.921 -3.926 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -8.330 2.913 -3.849 1.00 0.00 H new ATOM 894 N MET A 69 -7.288 -1.698 -1.761 1.00 0.00 N ATOM 895 CA MET A 69 -6.461 -2.880 -1.548 1.00 0.00 C ATOM 896 C MET A 69 -7.294 -4.158 -1.620 1.00 0.00 C ATOM 897 O MET A 69 -8.250 -4.333 -0.865 1.00 0.00 O ATOM 898 CB MET A 69 -5.752 -2.794 -0.193 1.00 0.00 C ATOM 899 CG MET A 69 -5.047 -1.467 0.038 1.00 0.00 C ATOM 900 SD MET A 69 -3.727 -1.168 -1.152 1.00 0.00 S ATOM 901 CE MET A 69 -2.446 -0.485 -0.102 1.00 0.00 C ATOM 0 H MET A 69 -8.186 -1.717 -1.278 1.00 0.00 H new ATOM 0 HA MET A 69 -5.715 -2.914 -2.342 1.00 0.00 H new ATOM 0 HB2 MET A 69 -6.482 -2.952 0.601 1.00 0.00 H new ATOM 0 HB3 MET A 69 -5.023 -3.601 -0.121 1.00 0.00 H new ATOM 0 HG2 MET A 69 -5.775 -0.658 -0.021 1.00 0.00 H new ATOM 0 HG3 MET A 69 -4.633 -1.450 1.046 1.00 0.00 H new ATOM 0 HE1 MET A 69 -1.995 0.378 -0.592 1.00 0.00 H new ATOM 0 HE2 MET A 69 -2.881 -0.176 0.849 1.00 0.00 H new ATOM 0 HE3 MET A 69 -1.681 -1.241 0.077 1.00 0.00 H new ATOM 911 N ASP A 70 -6.918 -5.052 -2.533 1.00 0.00 N ATOM 912 CA ASP A 70 -7.623 -6.319 -2.707 1.00 0.00 C ATOM 913 C ASP A 70 -9.061 -6.093 -3.160 1.00 0.00 C ATOM 914 O ASP A 70 -9.989 -6.727 -2.656 1.00 0.00 O ATOM 915 CB ASP A 70 -7.607 -7.120 -1.403 1.00 0.00 C ATOM 916 CG ASP A 70 -8.097 -8.542 -1.592 1.00 0.00 C ATOM 917 OD1 ASP A 70 -8.108 -9.018 -2.748 1.00 0.00 O ATOM 918 OD2 ASP A 70 -8.471 -9.181 -0.586 1.00 0.00 O ATOM 0 H ASP A 70 -6.128 -4.921 -3.164 1.00 0.00 H new ATOM 0 HA ASP A 70 -7.106 -6.885 -3.482 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -6.593 -7.138 -1.003 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -8.232 -6.618 -0.664 1.00 0.00 H new ATOM 923 N GLY A 71 -9.243 -5.184 -4.112 1.00 0.00 N ATOM 924 CA GLY A 71 -10.573 -4.893 -4.612 1.00 0.00 C ATOM 925 C GLY A 71 -11.471 -4.281 -3.555 1.00 0.00 C ATOM 926 O GLY A 71 -12.690 -4.229 -3.721 1.00 0.00 O ATOM 0 H GLY A 71 -8.494 -4.644 -4.546 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -10.498 -4.211 -5.459 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -11.027 -5.812 -4.982 1.00 0.00 H new ATOM 930 N THR A 72 -10.869 -3.817 -2.463 1.00 0.00 N ATOM 931 CA THR A 72 -11.622 -3.207 -1.375 1.00 0.00 C ATOM 932 C THR A 72 -11.556 -1.688 -1.456 1.00 0.00 C ATOM 933 O THR A 72 -10.550 -1.121 -1.881 1.00 0.00 O ATOM 934 CB THR A 72 -11.080 -3.678 -0.024 1.00 0.00 C ATOM 935 OG1 THR A 72 -10.813 -5.069 -0.048 1.00 0.00 O ATOM 936 CG2 THR A 72 -12.026 -3.413 1.127 1.00 0.00 C ATOM 0 H THR A 72 -9.861 -3.853 -2.310 1.00 0.00 H new ATOM 0 HA THR A 72 -12.663 -3.516 -1.470 1.00 0.00 H new ATOM 0 HB THR A 72 -10.168 -3.103 0.137 1.00 0.00 H new ATOM 0 HG1 THR A 72 -9.881 -5.219 -0.313 1.00 0.00 H new ATOM 0 HG21 THR A 72 -11.580 -3.771 2.055 1.00 0.00 H new ATOM 0 HG22 THR A 72 -12.214 -2.342 1.205 1.00 0.00 H new ATOM 0 HG23 THR A 72 -12.967 -3.934 0.952 1.00 0.00 H new ATOM 944 N ALA A 73 -12.635 -1.037 -1.044 1.00 0.00 N ATOM 945 CA ALA A 73 -12.705 0.417 -1.067 1.00 0.00 C ATOM 946 C ALA A 73 -12.780 0.977 0.348 1.00 0.00 C ATOM 947 O ALA A 73 -13.834 1.436 0.789 1.00 0.00 O ATOM 948 CB ALA A 73 -13.903 0.869 -1.889 1.00 0.00 C ATOM 0 H ALA A 73 -13.475 -1.494 -0.689 1.00 0.00 H new ATOM 0 HA ALA A 73 -11.797 0.802 -1.532 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -13.947 1.958 -1.900 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -13.804 0.499 -2.910 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -14.818 0.474 -1.447 1.00 0.00 H new ATOM 954 N LEU A 74 -11.657 0.934 1.059 1.00 0.00 N ATOM 955 CA LEU A 74 -11.603 1.432 2.422 1.00 0.00 C ATOM 956 C LEU A 74 -11.477 2.952 2.442 1.00 0.00 C ATOM 957 O LEU A 74 -10.421 3.508 2.144 1.00 0.00 O ATOM 958 CB LEU A 74 -10.443 0.790 3.186 1.00 0.00 C ATOM 959 CG LEU A 74 -9.040 1.206 2.727 1.00 0.00 C ATOM 960 CD1 LEU A 74 -8.352 2.030 3.803 1.00 0.00 C ATOM 961 CD2 LEU A 74 -8.198 -0.015 2.378 1.00 0.00 C ATOM 0 H LEU A 74 -10.775 0.559 0.711 1.00 0.00 H new ATOM 0 HA LEU A 74 -12.536 1.160 2.917 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -10.548 1.034 4.243 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -10.529 -0.293 3.099 1.00 0.00 H new ATOM 0 HG LEU A 74 -9.144 1.817 1.830 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -7.358 2.317 3.461 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -8.939 2.926 4.006 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -8.266 1.439 4.715 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -7.208 0.306 2.055 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -8.104 -0.655 3.255 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -8.679 -0.571 1.573 1.00 0.00 H new ATOM 973 N SER A 75 -12.571 3.617 2.792 1.00 0.00 N ATOM 974 CA SER A 75 -12.602 5.073 2.849 1.00 0.00 C ATOM 975 C SER A 75 -12.120 5.575 4.205 1.00 0.00 C ATOM 976 O SER A 75 -12.611 5.144 5.247 1.00 0.00 O ATOM 977 CB SER A 75 -14.018 5.571 2.580 1.00 0.00 C ATOM 978 OG SER A 75 -14.157 6.937 2.932 1.00 0.00 O ATOM 0 H SER A 75 -13.452 3.168 3.042 1.00 0.00 H new ATOM 0 HA SER A 75 -11.931 5.463 2.084 1.00 0.00 H new ATOM 0 HB2 SER A 75 -14.259 5.438 1.525 1.00 0.00 H new ATOM 0 HB3 SER A 75 -14.731 4.972 3.147 1.00 0.00 H new ATOM 0 HG SER A 75 -15.074 7.231 2.748 1.00 0.00 H new ATOM 984 N TYR A 76 -11.155 6.488 4.184 1.00 0.00 N ATOM 985 CA TYR A 76 -10.609 7.043 5.415 1.00 0.00 C ATOM 986 C TYR A 76 -9.900 8.370 5.159 1.00 0.00 C ATOM 987 O TYR A 76 -9.378 8.617 4.069 1.00 0.00 O ATOM 988 CB TYR A 76 -9.653 6.045 6.074 1.00 0.00 C ATOM 989 CG TYR A 76 -8.360 5.830 5.320 1.00 0.00 C ATOM 990 CD1 TYR A 76 -8.363 5.497 3.972 1.00 0.00 C ATOM 991 CD2 TYR A 76 -7.134 5.949 5.964 1.00 0.00 C ATOM 992 CE1 TYR A 76 -7.181 5.292 3.287 1.00 0.00 C ATOM 993 CE2 TYR A 76 -5.949 5.742 5.286 1.00 0.00 C ATOM 994 CZ TYR A 76 -5.977 5.415 3.947 1.00 0.00 C ATOM 995 OH TYR A 76 -4.797 5.203 3.269 1.00 0.00 O ATOM 0 H TYR A 76 -10.737 6.858 3.330 1.00 0.00 H new ATOM 0 HA TYR A 76 -11.441 7.233 6.093 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -9.420 6.394 7.080 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -10.162 5.087 6.179 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -9.304 5.397 3.451 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -7.108 6.208 7.012 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -7.200 5.036 2.238 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -5.005 5.836 5.802 1.00 0.00 H new ATOM 0 HH TYR A 76 -4.459 6.057 2.926 1.00 0.00 H new ATOM 1005 N ALA A 77 -9.888 9.227 6.173 1.00 0.00 N ATOM 1006 CA ALA A 77 -9.245 10.526 6.056 1.00 0.00 C ATOM 1007 C ALA A 77 -7.735 10.403 6.226 1.00 0.00 C ATOM 1008 O ALA A 77 -7.244 10.145 7.326 1.00 0.00 O ATOM 1009 CB ALA A 77 -9.821 11.494 7.080 1.00 0.00 C ATOM 0 H ALA A 77 -10.315 9.045 7.081 1.00 0.00 H new ATOM 0 HA ALA A 77 -9.441 10.916 5.057 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -9.331 12.462 6.981 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -10.891 11.610 6.909 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -9.654 11.104 8.084 1.00 0.00 H new ATOM 1015 N PHE A 78 -7.001 10.583 5.131 1.00 0.00 N ATOM 1016 CA PHE A 78 -5.546 10.482 5.163 1.00 0.00 C ATOM 1017 C PHE A 78 -4.945 11.493 6.137 1.00 0.00 C ATOM 1018 O PHE A 78 -4.784 12.668 5.815 1.00 0.00 O ATOM 1019 CB PHE A 78 -4.961 10.680 3.761 1.00 0.00 C ATOM 1020 CG PHE A 78 -4.380 9.426 3.165 1.00 0.00 C ATOM 1021 CD1 PHE A 78 -3.680 8.523 3.952 1.00 0.00 C ATOM 1022 CD2 PHE A 78 -4.532 9.150 1.816 1.00 0.00 C ATOM 1023 CE1 PHE A 78 -3.145 7.373 3.407 1.00 0.00 C ATOM 1024 CE2 PHE A 78 -4.000 7.999 1.265 1.00 0.00 C ATOM 1025 CZ PHE A 78 -3.305 7.110 2.061 1.00 0.00 C ATOM 0 H PHE A 78 -7.389 10.799 4.213 1.00 0.00 H new ATOM 0 HA PHE A 78 -5.288 9.482 5.511 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -5.742 11.057 3.101 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -4.185 11.444 3.805 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -3.552 8.723 5.006 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -5.072 9.842 1.187 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -2.602 6.680 4.033 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -4.128 7.795 0.212 1.00 0.00 H new ATOM 0 HZ PHE A 78 -2.888 6.211 1.632 1.00 0.00 H new ATOM 1035 N ALA A 79 -4.616 11.007 7.328 1.00 0.00 N ATOM 1036 CA ALA A 79 -4.025 11.826 8.387 1.00 0.00 C ATOM 1037 C ALA A 79 -2.965 12.802 7.867 1.00 0.00 C ATOM 1038 O ALA A 79 -2.506 12.699 6.730 1.00 0.00 O ATOM 1039 CB ALA A 79 -3.402 10.909 9.431 1.00 0.00 C ATOM 0 H ALA A 79 -4.751 10.031 7.590 1.00 0.00 H new ATOM 0 HA ALA A 79 -4.824 12.428 8.820 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -2.959 11.510 10.225 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -4.171 10.262 9.852 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -2.630 10.298 8.964 1.00 0.00 H new ATOM 1045 N GLU A 80 -2.567 13.740 8.724 1.00 0.00 N ATOM 1046 CA GLU A 80 -1.544 14.717 8.373 1.00 0.00 C ATOM 1047 C GLU A 80 -0.175 14.040 8.312 1.00 0.00 C ATOM 1048 O GLU A 80 0.705 14.324 9.126 1.00 0.00 O ATOM 1049 CB GLU A 80 -1.511 15.851 9.405 1.00 0.00 C ATOM 1050 CG GLU A 80 -0.735 17.076 8.945 1.00 0.00 C ATOM 1051 CD GLU A 80 0.741 17.000 9.287 1.00 0.00 C ATOM 1052 OE1 GLU A 80 1.079 17.108 10.484 1.00 0.00 O ATOM 1053 OE2 GLU A 80 1.557 16.834 8.357 1.00 0.00 O ATOM 0 H GLU A 80 -2.940 13.842 9.668 1.00 0.00 H new ATOM 0 HA GLU A 80 -1.785 15.135 7.396 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -2.534 16.147 9.639 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -1.068 15.477 10.328 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -0.848 17.188 7.867 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -1.164 17.966 9.405 1.00 0.00 H new ATOM 1060 N ALA A 81 -0.003 13.131 7.360 1.00 0.00 N ATOM 1061 CA ALA A 81 1.256 12.410 7.219 1.00 0.00 C ATOM 1062 C ALA A 81 2.257 13.189 6.375 1.00 0.00 C ATOM 1063 O ALA A 81 1.889 13.850 5.407 1.00 0.00 O ATOM 1064 CB ALA A 81 1.019 11.034 6.619 1.00 0.00 C ATOM 0 H ALA A 81 -0.716 12.876 6.677 1.00 0.00 H new ATOM 0 HA ALA A 81 1.680 12.292 8.216 1.00 0.00 H new ATOM 0 HB1 ALA A 81 1.970 10.511 6.521 1.00 0.00 H new ATOM 0 HB2 ALA A 81 0.356 10.463 7.269 1.00 0.00 H new ATOM 0 HB3 ALA A 81 0.561 11.140 5.636 1.00 0.00 H new ATOM 1070 N THR A 82 3.525 13.100 6.752 1.00 0.00 N ATOM 1071 CA THR A 82 4.598 13.787 6.040 1.00 0.00 C ATOM 1072 C THR A 82 5.794 12.860 5.868 1.00 0.00 C ATOM 1073 O THR A 82 6.327 12.705 4.769 1.00 0.00 O ATOM 1074 CB THR A 82 5.015 15.046 6.801 1.00 0.00 C ATOM 1075 OG1 THR A 82 6.284 15.499 6.366 1.00 0.00 O ATOM 1076 CG2 THR A 82 5.088 14.845 8.301 1.00 0.00 C ATOM 0 H THR A 82 3.839 12.554 7.554 1.00 0.00 H new ATOM 0 HA THR A 82 4.233 14.076 5.054 1.00 0.00 H new ATOM 0 HB THR A 82 4.239 15.781 6.587 1.00 0.00 H new ATOM 0 HG1 THR A 82 6.532 16.306 6.864 1.00 0.00 H new ATOM 0 HG21 THR A 82 5.389 15.777 8.779 1.00 0.00 H new ATOM 0 HG22 THR A 82 4.109 14.545 8.676 1.00 0.00 H new ATOM 0 HG23 THR A 82 5.818 14.068 8.529 1.00 0.00 H new ATOM 1084 N VAL A 83 6.193 12.231 6.966 1.00 0.00 N ATOM 1085 CA VAL A 83 7.306 11.294 6.961 1.00 0.00 C ATOM 1086 C VAL A 83 6.827 9.951 6.429 1.00 0.00 C ATOM 1087 O VAL A 83 5.683 9.576 6.666 1.00 0.00 O ATOM 1088 CB VAL A 83 7.878 11.103 8.385 1.00 0.00 C ATOM 1089 CG1 VAL A 83 9.334 10.666 8.335 1.00 0.00 C ATOM 1090 CG2 VAL A 83 7.732 12.378 9.205 1.00 0.00 C ATOM 0 H VAL A 83 5.756 12.356 7.879 1.00 0.00 H new ATOM 0 HA VAL A 83 8.094 11.696 6.323 1.00 0.00 H new ATOM 0 HB VAL A 83 7.303 10.315 8.871 1.00 0.00 H new ATOM 0 HG11 VAL A 83 9.711 10.539 9.350 1.00 0.00 H new ATOM 0 HG12 VAL A 83 9.412 9.721 7.798 1.00 0.00 H new ATOM 0 HG13 VAL A 83 9.924 11.425 7.821 1.00 0.00 H new ATOM 0 HG21 VAL A 83 8.142 12.218 10.202 1.00 0.00 H new ATOM 0 HG22 VAL A 83 8.273 13.189 8.716 1.00 0.00 H new ATOM 0 HG23 VAL A 83 6.677 12.641 9.284 1.00 0.00 H new ATOM 1100 N PRO A 84 7.673 9.207 5.693 1.00 0.00 N ATOM 1101 CA PRO A 84 7.287 7.906 5.135 1.00 0.00 C ATOM 1102 C PRO A 84 6.535 7.036 6.141 1.00 0.00 C ATOM 1103 O PRO A 84 7.121 6.174 6.794 1.00 0.00 O ATOM 1104 CB PRO A 84 8.631 7.281 4.773 1.00 0.00 C ATOM 1105 CG PRO A 84 9.496 8.445 4.431 1.00 0.00 C ATOM 1106 CD PRO A 84 9.059 9.570 5.334 1.00 0.00 C ATOM 0 HA PRO A 84 6.602 8.003 4.293 1.00 0.00 H new ATOM 0 HB2 PRO A 84 9.042 6.711 5.606 1.00 0.00 H new ATOM 0 HB3 PRO A 84 8.537 6.594 3.932 1.00 0.00 H new ATOM 0 HG2 PRO A 84 10.548 8.207 4.586 1.00 0.00 H new ATOM 0 HG3 PRO A 84 9.382 8.720 3.382 1.00 0.00 H new ATOM 0 HD2 PRO A 84 9.695 9.647 6.216 1.00 0.00 H new ATOM 0 HD3 PRO A 84 9.103 10.533 4.825 1.00 0.00 H new ATOM 1114 N VAL A 85 5.229 7.274 6.259 1.00 0.00 N ATOM 1115 CA VAL A 85 4.389 6.520 7.181 1.00 0.00 C ATOM 1116 C VAL A 85 3.646 5.410 6.446 1.00 0.00 C ATOM 1117 O VAL A 85 2.960 5.661 5.456 1.00 0.00 O ATOM 1118 CB VAL A 85 3.365 7.435 7.891 1.00 0.00 C ATOM 1119 CG1 VAL A 85 2.563 6.648 8.918 1.00 0.00 C ATOM 1120 CG2 VAL A 85 4.064 8.623 8.545 1.00 0.00 C ATOM 0 H VAL A 85 4.731 7.986 5.724 1.00 0.00 H new ATOM 0 HA VAL A 85 5.046 6.083 7.933 1.00 0.00 H new ATOM 0 HB VAL A 85 2.674 7.819 7.141 1.00 0.00 H new ATOM 0 HG11 VAL A 85 1.848 7.310 9.406 1.00 0.00 H new ATOM 0 HG12 VAL A 85 2.027 5.840 8.420 1.00 0.00 H new ATOM 0 HG13 VAL A 85 3.238 6.230 9.664 1.00 0.00 H new ATOM 0 HG21 VAL A 85 3.325 9.254 9.039 1.00 0.00 H new ATOM 0 HG22 VAL A 85 4.783 8.262 9.281 1.00 0.00 H new ATOM 0 HG23 VAL A 85 4.585 9.203 7.783 1.00 0.00 H new ATOM 1130 N THR A 86 3.796 4.181 6.928 1.00 0.00 N ATOM 1131 CA THR A 86 3.146 3.034 6.305 1.00 0.00 C ATOM 1132 C THR A 86 1.865 2.644 7.038 1.00 0.00 C ATOM 1133 O THR A 86 1.911 2.016 8.097 1.00 0.00 O ATOM 1134 CB THR A 86 4.105 1.841 6.258 1.00 0.00 C ATOM 1135 OG1 THR A 86 5.360 2.177 6.824 1.00 0.00 O ATOM 1136 CG2 THR A 86 4.358 1.333 4.854 1.00 0.00 C ATOM 0 H THR A 86 4.361 3.954 7.746 1.00 0.00 H new ATOM 0 HA THR A 86 2.876 3.321 5.289 1.00 0.00 H new ATOM 0 HB THR A 86 3.613 1.056 6.832 1.00 0.00 H new ATOM 0 HG1 THR A 86 5.955 1.400 6.785 1.00 0.00 H new ATOM 0 HG21 THR A 86 5.045 0.488 4.891 1.00 0.00 H new ATOM 0 HG22 THR A 86 3.416 1.015 4.407 1.00 0.00 H new ATOM 0 HG23 THR A 86 4.795 2.130 4.252 1.00 0.00 H new ATOM 1144 N TYR A 87 0.725 3.004 6.458 1.00 0.00 N ATOM 1145 CA TYR A 87 -0.570 2.675 7.043 1.00 0.00 C ATOM 1146 C TYR A 87 -0.763 1.158 7.047 1.00 0.00 C ATOM 1147 O TYR A 87 -0.976 0.549 6.001 1.00 0.00 O ATOM 1148 CB TYR A 87 -1.688 3.377 6.256 1.00 0.00 C ATOM 1149 CG TYR A 87 -3.008 2.635 6.224 1.00 0.00 C ATOM 1150 CD1 TYR A 87 -3.256 1.665 5.261 1.00 0.00 C ATOM 1151 CD2 TYR A 87 -4.005 2.907 7.152 1.00 0.00 C ATOM 1152 CE1 TYR A 87 -4.458 0.988 5.222 1.00 0.00 C ATOM 1153 CE2 TYR A 87 -5.211 2.233 7.122 1.00 0.00 C ATOM 1154 CZ TYR A 87 -5.433 1.274 6.155 1.00 0.00 C ATOM 1155 OH TYR A 87 -6.633 0.601 6.121 1.00 0.00 O ATOM 0 H TYR A 87 0.671 3.524 5.582 1.00 0.00 H new ATOM 0 HA TYR A 87 -0.609 3.026 8.074 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -1.853 4.364 6.689 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -1.350 3.531 5.231 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -2.495 1.437 4.530 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -3.835 3.658 7.910 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -4.634 0.238 4.465 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -5.976 2.456 7.851 1.00 0.00 H new ATOM 0 HH TYR A 87 -6.818 0.307 5.204 1.00 0.00 H new ATOM 1165 N VAL A 88 -0.659 0.552 8.226 1.00 0.00 N ATOM 1166 CA VAL A 88 -0.793 -0.896 8.354 1.00 0.00 C ATOM 1167 C VAL A 88 -2.249 -1.341 8.466 1.00 0.00 C ATOM 1168 O VAL A 88 -2.972 -0.925 9.370 1.00 0.00 O ATOM 1169 CB VAL A 88 -0.022 -1.425 9.580 1.00 0.00 C ATOM 1170 CG1 VAL A 88 -0.060 -2.948 9.627 1.00 0.00 C ATOM 1171 CG2 VAL A 88 1.414 -0.922 9.565 1.00 0.00 C ATOM 0 H VAL A 88 -0.483 1.039 9.105 1.00 0.00 H new ATOM 0 HA VAL A 88 -0.370 -1.314 7.441 1.00 0.00 H new ATOM 0 HB VAL A 88 -0.508 -1.047 10.479 1.00 0.00 H new ATOM 0 HG11 VAL A 88 0.490 -3.299 10.500 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -1.095 -3.284 9.691 1.00 0.00 H new ATOM 0 HG13 VAL A 88 0.397 -3.351 8.724 1.00 0.00 H new ATOM 0 HG21 VAL A 88 1.943 -1.305 10.438 1.00 0.00 H new ATOM 0 HG22 VAL A 88 1.911 -1.268 8.659 1.00 0.00 H new ATOM 0 HG23 VAL A 88 1.418 0.168 9.588 1.00 0.00 H new ATOM 1181 N GLN A 89 -2.652 -2.220 7.553 1.00 0.00 N ATOM 1182 CA GLN A 89 -4.000 -2.770 7.551 1.00 0.00 C ATOM 1183 C GLN A 89 -3.921 -4.252 7.223 1.00 0.00 C ATOM 1184 O GLN A 89 -3.547 -4.627 6.117 1.00 0.00 O ATOM 1185 CB GLN A 89 -4.881 -2.047 6.530 1.00 0.00 C ATOM 1186 CG GLN A 89 -6.267 -2.656 6.380 1.00 0.00 C ATOM 1187 CD GLN A 89 -7.098 -1.959 5.322 1.00 0.00 C ATOM 1188 OE1 GLN A 89 -6.565 -1.281 4.443 1.00 0.00 O ATOM 1189 NE2 GLN A 89 -8.414 -2.123 5.401 1.00 0.00 N ATOM 0 H GLN A 89 -2.058 -2.568 6.800 1.00 0.00 H new ATOM 0 HA GLN A 89 -4.449 -2.631 8.535 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -4.982 -1.003 6.825 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -4.382 -2.057 5.561 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -6.170 -3.711 6.124 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -6.787 -2.606 7.337 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -8.813 -2.694 6.146 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -9.025 -1.678 4.716 1.00 0.00 H new ATOM 1198 N THR A 90 -4.247 -5.093 8.191 1.00 0.00 N ATOM 1199 CA THR A 90 -4.170 -6.532 7.986 1.00 0.00 C ATOM 1200 C THR A 90 -5.367 -7.055 7.210 1.00 0.00 C ATOM 1201 O THR A 90 -6.508 -6.973 7.662 1.00 0.00 O ATOM 1202 CB THR A 90 -4.049 -7.248 9.329 1.00 0.00 C ATOM 1203 OG1 THR A 90 -4.924 -6.675 10.284 1.00 0.00 O ATOM 1204 CG2 THR A 90 -2.648 -7.199 9.896 1.00 0.00 C ATOM 0 H THR A 90 -4.565 -4.809 9.118 1.00 0.00 H new ATOM 0 HA THR A 90 -3.280 -6.737 7.390 1.00 0.00 H new ATOM 0 HB THR A 90 -4.312 -8.288 9.134 1.00 0.00 H new ATOM 0 HG1 THR A 90 -5.800 -6.519 9.873 1.00 0.00 H new ATOM 0 HG21 THR A 90 -2.623 -7.724 10.851 1.00 0.00 H new ATOM 0 HG22 THR A 90 -1.957 -7.677 9.201 1.00 0.00 H new ATOM 0 HG23 THR A 90 -2.352 -6.161 10.045 1.00 0.00 H new ATOM 1212 N LYS A 91 -5.081 -7.596 6.030 1.00 0.00 N ATOM 1213 CA LYS A 91 -6.112 -8.145 5.162 1.00 0.00 C ATOM 1214 C LYS A 91 -5.708 -9.531 4.678 1.00 0.00 C ATOM 1215 O LYS A 91 -4.646 -9.706 4.079 1.00 0.00 O ATOM 1216 CB LYS A 91 -6.342 -7.217 3.967 1.00 0.00 C ATOM 1217 CG LYS A 91 -7.368 -7.737 2.972 1.00 0.00 C ATOM 1218 CD LYS A 91 -8.752 -7.177 3.256 1.00 0.00 C ATOM 1219 CE LYS A 91 -9.830 -7.948 2.512 1.00 0.00 C ATOM 1220 NZ LYS A 91 -10.268 -7.241 1.278 1.00 0.00 N ATOM 0 H LYS A 91 -4.136 -7.665 5.653 1.00 0.00 H new ATOM 0 HA LYS A 91 -7.040 -8.228 5.728 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -6.666 -6.243 4.333 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -5.394 -7.064 3.451 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -7.065 -7.466 1.960 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -7.399 -8.826 3.015 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -8.949 -7.217 4.327 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -8.787 -6.127 2.964 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -9.453 -8.937 2.249 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -10.687 -8.098 3.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -11.294 -7.357 1.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -10.041 -6.229 1.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -9.775 -7.642 0.455 1.00 0.00 H new ATOM 1234 N THR A 92 -6.555 -10.517 4.945 1.00 0.00 N ATOM 1235 CA THR A 92 -6.276 -11.882 4.538 1.00 0.00 C ATOM 1236 C THR A 92 -6.371 -12.019 3.022 1.00 0.00 C ATOM 1237 O THR A 92 -7.456 -11.914 2.448 1.00 0.00 O ATOM 1238 CB THR A 92 -7.249 -12.838 5.223 1.00 0.00 C ATOM 1239 OG1 THR A 92 -7.669 -12.314 6.470 1.00 0.00 O ATOM 1240 CG2 THR A 92 -6.658 -14.207 5.477 1.00 0.00 C ATOM 0 H THR A 92 -7.438 -10.394 5.441 1.00 0.00 H new ATOM 0 HA THR A 92 -5.260 -12.137 4.840 1.00 0.00 H new ATOM 0 HB THR A 92 -8.088 -12.943 4.535 1.00 0.00 H new ATOM 0 HG1 THR A 92 -8.293 -12.939 6.894 1.00 0.00 H new ATOM 0 HG21 THR A 92 -7.400 -14.839 5.966 1.00 0.00 H new ATOM 0 HG22 THR A 92 -6.365 -14.658 4.529 1.00 0.00 H new ATOM 0 HG23 THR A 92 -5.783 -14.112 6.119 1.00 0.00 H new ATOM 1248 N LEU A 93 -5.231 -12.241 2.377 1.00 0.00 N ATOM 1249 CA LEU A 93 -5.198 -12.377 0.925 1.00 0.00 C ATOM 1250 C LEU A 93 -5.310 -13.838 0.506 1.00 0.00 C ATOM 1251 O LEU A 93 -4.741 -14.724 1.142 1.00 0.00 O ATOM 1252 CB LEU A 93 -3.905 -11.764 0.360 1.00 0.00 C ATOM 1253 CG LEU A 93 -3.965 -10.267 0.007 1.00 0.00 C ATOM 1254 CD1 LEU A 93 -2.971 -9.943 -1.101 1.00 0.00 C ATOM 1255 CD2 LEU A 93 -5.377 -9.866 -0.404 1.00 0.00 C ATOM 0 H LEU A 93 -4.323 -12.330 2.833 1.00 0.00 H new ATOM 0 HA LEU A 93 -6.055 -11.840 0.518 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -3.108 -11.913 1.088 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -3.626 -12.317 -0.537 1.00 0.00 H new ATOM 0 HG LEU A 93 -3.694 -9.693 0.893 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -3.025 -8.881 -1.339 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -1.963 -10.189 -0.769 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -3.213 -10.527 -1.989 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -5.397 -8.804 -0.649 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -5.681 -10.445 -1.276 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -6.065 -10.061 0.419 1.00 0.00 H new ATOM 1267 N SER A 94 -6.050 -14.082 -0.573 1.00 0.00 N ATOM 1268 CA SER A 94 -6.236 -15.431 -1.074 1.00 0.00 C ATOM 1269 C SER A 94 -5.646 -15.597 -2.469 1.00 0.00 C ATOM 1270 O SER A 94 -5.667 -14.674 -3.281 1.00 0.00 O ATOM 1271 CB SER A 94 -7.718 -15.805 -1.089 1.00 0.00 C ATOM 1272 OG SER A 94 -8.516 -14.721 -1.531 1.00 0.00 O ATOM 0 H SER A 94 -6.528 -13.361 -1.113 1.00 0.00 H new ATOM 0 HA SER A 94 -5.707 -16.102 -0.398 1.00 0.00 H new ATOM 0 HB2 SER A 94 -7.872 -16.664 -1.742 1.00 0.00 H new ATOM 0 HB3 SER A 94 -8.030 -16.105 -0.089 1.00 0.00 H new ATOM 0 HG SER A 94 -9.459 -14.988 -1.533 1.00 0.00 H new ATOM 1278 N ALA A 95 -5.133 -16.792 -2.739 1.00 0.00 N ATOM 1279 CA ALA A 95 -4.540 -17.107 -4.032 1.00 0.00 C ATOM 1280 C ALA A 95 -5.465 -16.718 -5.183 1.00 0.00 C ATOM 1281 O ALA A 95 -6.687 -16.731 -5.042 1.00 0.00 O ATOM 1282 CB ALA A 95 -4.215 -18.589 -4.098 1.00 0.00 C ATOM 0 H ALA A 95 -5.116 -17.564 -2.073 1.00 0.00 H new ATOM 0 HA ALA A 95 -3.623 -16.527 -4.136 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -3.772 -18.821 -5.066 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -3.510 -18.843 -3.306 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -5.129 -19.168 -3.969 1.00 0.00 H new ATOM 1288 N GLY A 96 -4.870 -16.374 -6.322 1.00 0.00 N ATOM 1289 CA GLY A 96 -5.652 -15.988 -7.482 1.00 0.00 C ATOM 1290 C GLY A 96 -5.099 -14.753 -8.167 1.00 0.00 C ATOM 1291 O GLY A 96 -3.988 -14.775 -8.696 1.00 0.00 O ATOM 0 H GLY A 96 -3.860 -16.356 -6.462 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -5.675 -16.814 -8.192 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -6.682 -15.801 -7.177 1.00 0.00 H new ATOM 1295 N ASN A 97 -5.874 -13.673 -8.156 1.00 0.00 N ATOM 1296 CA ASN A 97 -5.451 -12.424 -8.778 1.00 0.00 C ATOM 1297 C ASN A 97 -6.343 -11.268 -8.343 1.00 0.00 C ATOM 1298 O ASN A 97 -7.549 -11.434 -8.159 1.00 0.00 O ATOM 1299 CB ASN A 97 -5.467 -12.548 -10.302 1.00 0.00 C ATOM 1300 CG ASN A 97 -4.336 -11.776 -10.955 1.00 0.00 C ATOM 1301 OD1 ASN A 97 -3.347 -12.360 -11.398 1.00 0.00 O ATOM 1302 ND2 ASN A 97 -4.474 -10.456 -11.016 1.00 0.00 N ATOM 0 H ASN A 97 -6.797 -13.638 -7.724 1.00 0.00 H new ATOM 0 HA ASN A 97 -4.432 -12.218 -8.451 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -5.394 -13.600 -10.579 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -6.421 -12.183 -10.684 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -3.744 -9.886 -11.443 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -5.310 -10.013 -10.636 1.00 0.00 H new ATOM 1309 N HIS A 98 -5.740 -10.096 -8.183 1.00 0.00 N ATOM 1310 CA HIS A 98 -6.473 -8.906 -7.773 1.00 0.00 C ATOM 1311 C HIS A 98 -5.699 -7.640 -8.119 1.00 0.00 C ATOM 1312 O HIS A 98 -4.530 -7.699 -8.499 1.00 0.00 O ATOM 1313 CB HIS A 98 -6.791 -8.935 -6.275 1.00 0.00 C ATOM 1314 CG HIS A 98 -5.752 -9.595 -5.414 1.00 0.00 C ATOM 1315 ND1 HIS A 98 -5.946 -9.812 -4.069 1.00 0.00 N ATOM 1316 CD2 HIS A 98 -4.512 -10.081 -5.692 1.00 0.00 C ATOM 1317 CE1 HIS A 98 -4.880 -10.394 -3.560 1.00 0.00 C ATOM 1318 NE2 HIS A 98 -3.996 -10.565 -4.521 1.00 0.00 N ATOM 0 H HIS A 98 -4.742 -9.945 -8.332 1.00 0.00 H new ATOM 0 HA HIS A 98 -7.414 -8.900 -8.323 1.00 0.00 H new ATOM 0 HB2 HIS A 98 -6.929 -7.911 -5.929 1.00 0.00 H new ATOM 0 HB3 HIS A 98 -7.740 -9.451 -6.131 1.00 0.00 H new ATOM 0 HD1 HIS A 98 -6.786 -9.561 -3.547 1.00 0.00 H new ATOM 0 HD2 HIS A 98 -4.026 -10.084 -6.656 1.00 0.00 H new ATOM 0 HE1 HIS A 98 -4.752 -10.683 -2.527 1.00 0.00 H new ATOM 1327 N SER A 99 -6.362 -6.494 -7.992 1.00 0.00 N ATOM 1328 CA SER A 99 -5.735 -5.215 -8.298 1.00 0.00 C ATOM 1329 C SER A 99 -5.710 -4.300 -7.078 1.00 0.00 C ATOM 1330 O SER A 99 -6.754 -3.859 -6.595 1.00 0.00 O ATOM 1331 CB SER A 99 -6.473 -4.527 -9.449 1.00 0.00 C ATOM 1332 OG SER A 99 -7.858 -4.823 -9.416 1.00 0.00 O ATOM 0 H SER A 99 -7.331 -6.426 -7.680 1.00 0.00 H new ATOM 0 HA SER A 99 -4.705 -5.412 -8.595 1.00 0.00 H new ATOM 0 HB2 SER A 99 -6.327 -3.449 -9.386 1.00 0.00 H new ATOM 0 HB3 SER A 99 -6.051 -4.851 -10.401 1.00 0.00 H new ATOM 0 HG SER A 99 -8.307 -4.370 -10.160 1.00 0.00 H new ATOM 1338 N PHE A 100 -4.507 -4.006 -6.598 1.00 0.00 N ATOM 1339 CA PHE A 100 -4.325 -3.129 -5.445 1.00 0.00 C ATOM 1340 C PHE A 100 -4.140 -1.695 -5.920 1.00 0.00 C ATOM 1341 O PHE A 100 -4.080 -1.451 -7.123 1.00 0.00 O ATOM 1342 CB PHE A 100 -3.112 -3.574 -4.630 1.00 0.00 C ATOM 1343 CG PHE A 100 -3.389 -4.746 -3.735 1.00 0.00 C ATOM 1344 CD1 PHE A 100 -3.271 -6.040 -4.210 1.00 0.00 C ATOM 1345 CD2 PHE A 100 -3.765 -4.549 -2.418 1.00 0.00 C ATOM 1346 CE1 PHE A 100 -3.525 -7.119 -3.385 1.00 0.00 C ATOM 1347 CE2 PHE A 100 -4.020 -5.621 -1.589 1.00 0.00 C ATOM 1348 CZ PHE A 100 -3.899 -6.906 -2.071 1.00 0.00 C ATOM 0 H PHE A 100 -3.637 -4.364 -6.992 1.00 0.00 H new ATOM 0 HA PHE A 100 -5.209 -3.185 -4.810 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -2.301 -3.831 -5.311 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -2.765 -2.738 -4.023 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -2.978 -6.208 -5.236 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -3.860 -3.544 -2.035 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -3.432 -8.126 -3.765 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -4.314 -5.454 -0.563 1.00 0.00 H new ATOM 0 HZ PHE A 100 -4.096 -7.747 -1.423 1.00 0.00 H new ATOM 1358 N GLY A 101 -4.046 -0.741 -4.993 1.00 0.00 N ATOM 1359 CA GLY A 101 -3.863 0.635 -5.409 1.00 0.00 C ATOM 1360 C GLY A 101 -4.425 1.654 -4.443 1.00 0.00 C ATOM 1361 O GLY A 101 -4.537 1.406 -3.243 1.00 0.00 O ATOM 0 H GLY A 101 -4.092 -0.894 -3.986 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -2.798 0.825 -5.541 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -4.334 0.775 -6.382 1.00 0.00 H new ATOM 1365 N VAL A 102 -4.778 2.810 -4.990 1.00 0.00 N ATOM 1366 CA VAL A 102 -5.342 3.908 -4.208 1.00 0.00 C ATOM 1367 C VAL A 102 -6.227 4.773 -5.100 1.00 0.00 C ATOM 1368 O VAL A 102 -5.788 5.242 -6.145 1.00 0.00 O ATOM 1369 CB VAL A 102 -4.244 4.787 -3.549 1.00 0.00 C ATOM 1370 CG1 VAL A 102 -4.583 5.051 -2.097 1.00 0.00 C ATOM 1371 CG2 VAL A 102 -2.868 4.147 -3.640 1.00 0.00 C ATOM 0 H VAL A 102 -4.683 3.015 -5.985 1.00 0.00 H new ATOM 0 HA VAL A 102 -5.934 3.468 -3.405 1.00 0.00 H new ATOM 0 HB VAL A 102 -4.214 5.728 -4.099 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -3.805 5.668 -1.648 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -5.539 5.571 -2.035 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -4.650 4.104 -1.561 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -2.132 4.797 -3.166 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -2.881 3.183 -3.132 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -2.603 4.002 -4.687 1.00 0.00 H new ATOM 1381 N ARG A 103 -7.484 4.959 -4.704 1.00 0.00 N ATOM 1382 CA ARG A 103 -8.424 5.744 -5.508 1.00 0.00 C ATOM 1383 C ARG A 103 -9.007 6.920 -4.732 1.00 0.00 C ATOM 1384 O ARG A 103 -9.144 6.877 -3.510 1.00 0.00 O ATOM 1385 CB ARG A 103 -9.556 4.837 -6.020 1.00 0.00 C ATOM 1386 CG ARG A 103 -10.856 5.562 -6.363 1.00 0.00 C ATOM 1387 CD ARG A 103 -10.715 6.432 -7.603 1.00 0.00 C ATOM 1388 NE ARG A 103 -11.469 5.895 -8.734 1.00 0.00 N ATOM 1389 CZ ARG A 103 -12.795 5.777 -8.750 1.00 0.00 C ATOM 1390 NH1 ARG A 103 -13.517 6.165 -7.707 1.00 0.00 N ATOM 1391 NH2 ARG A 103 -13.402 5.270 -9.816 1.00 0.00 N ATOM 0 H ARG A 103 -7.875 4.582 -3.840 1.00 0.00 H new ATOM 0 HA ARG A 103 -7.870 6.156 -6.351 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -9.206 4.310 -6.908 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -9.767 4.082 -5.263 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -11.648 4.830 -6.522 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -11.159 6.181 -5.519 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -11.063 7.441 -7.380 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -9.662 6.511 -7.873 1.00 0.00 H new ATOM 0 HE ARG A 103 -10.950 5.593 -9.558 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -13.057 6.557 -6.885 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -14.533 6.072 -7.727 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -12.853 4.971 -10.622 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -14.418 5.179 -9.829 1.00 0.00 H new ATOM 1405 N VAL A 104 -9.372 7.959 -5.478 1.00 0.00 N ATOM 1406 CA VAL A 104 -9.973 9.155 -4.908 1.00 0.00 C ATOM 1407 C VAL A 104 -11.134 9.621 -5.776 1.00 0.00 C ATOM 1408 O VAL A 104 -11.042 9.607 -7.003 1.00 0.00 O ATOM 1409 CB VAL A 104 -8.950 10.306 -4.740 1.00 0.00 C ATOM 1410 CG1 VAL A 104 -8.792 10.631 -3.280 1.00 0.00 C ATOM 1411 CG2 VAL A 104 -7.605 9.958 -5.373 1.00 0.00 C ATOM 0 H VAL A 104 -9.259 7.993 -6.491 1.00 0.00 H new ATOM 0 HA VAL A 104 -10.335 8.891 -3.914 1.00 0.00 H new ATOM 0 HB VAL A 104 -9.329 11.185 -5.261 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -8.072 11.441 -3.163 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -9.754 10.939 -2.870 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -8.436 9.749 -2.747 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -6.913 10.789 -5.236 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -7.199 9.065 -4.898 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -7.742 9.772 -6.438 1.00 0.00 H new ATOM 1421 N GLY A 105 -12.233 10.021 -5.143 1.00 0.00 N ATOM 1422 CA GLY A 105 -13.393 10.469 -5.893 1.00 0.00 C ATOM 1423 C GLY A 105 -14.197 11.524 -5.161 1.00 0.00 C ATOM 1424 O GLY A 105 -13.768 12.036 -4.129 1.00 0.00 O ATOM 0 H GLY A 105 -12.341 10.043 -4.129 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -13.066 10.869 -6.853 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -14.034 9.614 -6.106 1.00 0.00 H new ATOM 1428 N SER A 106 -15.369 11.851 -5.696 1.00 0.00 N ATOM 1429 CA SER A 106 -16.235 12.855 -5.085 1.00 0.00 C ATOM 1430 C SER A 106 -16.499 12.526 -3.618 1.00 0.00 C ATOM 1431 O SER A 106 -16.465 13.407 -2.758 1.00 0.00 O ATOM 1432 CB SER A 106 -17.559 12.947 -5.846 1.00 0.00 C ATOM 1433 OG SER A 106 -18.395 11.842 -5.551 1.00 0.00 O ATOM 0 H SER A 106 -15.741 11.436 -6.550 1.00 0.00 H new ATOM 0 HA SER A 106 -15.727 13.818 -5.137 1.00 0.00 H new ATOM 0 HB2 SER A 106 -18.069 13.873 -5.583 1.00 0.00 H new ATOM 0 HB3 SER A 106 -17.364 12.984 -6.918 1.00 0.00 H new ATOM 0 HG SER A 106 -19.235 11.926 -6.048 1.00 0.00 H new ATOM 1439 N SER A 107 -16.758 11.252 -3.339 1.00 0.00 N ATOM 1440 CA SER A 107 -17.022 10.804 -1.976 1.00 0.00 C ATOM 1441 C SER A 107 -15.740 10.792 -1.144 1.00 0.00 C ATOM 1442 O SER A 107 -15.787 10.734 0.084 1.00 0.00 O ATOM 1443 CB SER A 107 -17.646 9.407 -1.990 1.00 0.00 C ATOM 1444 OG SER A 107 -19.056 9.479 -2.108 1.00 0.00 O ATOM 0 H SER A 107 -16.791 10.511 -4.039 1.00 0.00 H new ATOM 0 HA SER A 107 -17.721 11.505 -1.520 1.00 0.00 H new ATOM 0 HB2 SER A 107 -17.237 8.831 -2.820 1.00 0.00 H new ATOM 0 HB3 SER A 107 -17.381 8.878 -1.075 1.00 0.00 H new ATOM 0 HG SER A 107 -19.430 8.573 -2.116 1.00 0.00 H new ATOM 1450 N ASP A 108 -14.597 10.847 -1.822 1.00 0.00 N ATOM 1451 CA ASP A 108 -13.307 10.844 -1.152 1.00 0.00 C ATOM 1452 C ASP A 108 -12.248 11.507 -2.024 1.00 0.00 C ATOM 1453 O ASP A 108 -11.466 10.831 -2.691 1.00 0.00 O ATOM 1454 CB ASP A 108 -12.886 9.413 -0.814 1.00 0.00 C ATOM 1455 CG ASP A 108 -13.054 8.469 -1.988 1.00 0.00 C ATOM 1456 OD1 ASP A 108 -14.204 8.070 -2.270 1.00 0.00 O ATOM 1457 OD2 ASP A 108 -12.037 8.129 -2.627 1.00 0.00 O ATOM 0 H ASP A 108 -14.542 10.894 -2.839 1.00 0.00 H new ATOM 0 HA ASP A 108 -13.401 11.412 -0.226 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -11.844 9.410 -0.495 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -13.478 9.052 0.027 1.00 0.00 H new ATOM 1462 N TRP A 109 -12.240 12.835 -2.018 1.00 0.00 N ATOM 1463 CA TRP A 109 -11.289 13.608 -2.810 1.00 0.00 C ATOM 1464 C TRP A 109 -9.853 13.329 -2.386 1.00 0.00 C ATOM 1465 O TRP A 109 -9.602 12.890 -1.266 1.00 0.00 O ATOM 1466 CB TRP A 109 -11.590 15.095 -2.678 1.00 0.00 C ATOM 1467 CG TRP A 109 -11.437 15.604 -1.290 1.00 0.00 C ATOM 1468 CD1 TRP A 109 -12.419 15.981 -0.421 1.00 0.00 C ATOM 1469 CD2 TRP A 109 -10.205 15.791 -0.619 1.00 0.00 C ATOM 1470 NE1 TRP A 109 -11.856 16.395 0.764 1.00 0.00 N ATOM 1471 CE2 TRP A 109 -10.494 16.285 0.663 1.00 0.00 C ATOM 1472 CE3 TRP A 109 -8.880 15.583 -0.989 1.00 0.00 C ATOM 1473 CZ2 TRP A 109 -9.493 16.574 1.580 1.00 0.00 C ATOM 1474 CZ3 TRP A 109 -7.889 15.868 -0.082 1.00 0.00 C ATOM 1475 CH2 TRP A 109 -8.199 16.358 1.189 1.00 0.00 C ATOM 0 H TRP A 109 -12.886 13.403 -1.470 1.00 0.00 H new ATOM 0 HA TRP A 109 -11.396 13.306 -3.852 1.00 0.00 H new ATOM 0 HB2 TRP A 109 -10.926 15.653 -3.338 1.00 0.00 H new ATOM 0 HB3 TRP A 109 -12.609 15.284 -3.017 1.00 0.00 H new ATOM 0 HD1 TRP A 109 -13.478 15.958 -0.632 1.00 0.00 H new ATOM 0 HE1 TRP A 109 -12.367 16.728 1.581 1.00 0.00 H new ATOM 0 HE3 TRP A 109 -8.636 15.205 -1.971 1.00 0.00 H new ATOM 0 HZ2 TRP A 109 -9.726 16.954 2.564 1.00 0.00 H new ATOM 0 HZ3 TRP A 109 -6.856 15.711 -0.355 1.00 0.00 H new ATOM 0 HH2 TRP A 109 -7.398 16.572 1.881 1.00 0.00 H new ATOM 1486 N GLY A 110 -8.902 13.581 -3.289 1.00 0.00 N ATOM 1487 CA GLY A 110 -7.505 13.334 -2.969 1.00 0.00 C ATOM 1488 C GLY A 110 -6.623 14.564 -3.060 1.00 0.00 C ATOM 1489 O GLY A 110 -7.042 15.612 -3.545 1.00 0.00 O ATOM 0 H GLY A 110 -9.073 13.948 -4.225 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -7.441 12.928 -1.960 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -7.118 12.571 -3.645 1.00 0.00 H new ATOM 1493 N TYR A 111 -5.392 14.412 -2.581 1.00 0.00 N ATOM 1494 CA TYR A 111 -4.397 15.481 -2.578 1.00 0.00 C ATOM 1495 C TYR A 111 -3.253 15.088 -1.647 1.00 0.00 C ATOM 1496 O TYR A 111 -2.948 15.788 -0.681 1.00 0.00 O ATOM 1497 CB TYR A 111 -5.019 16.811 -2.131 1.00 0.00 C ATOM 1498 CG TYR A 111 -5.220 17.802 -3.258 1.00 0.00 C ATOM 1499 CD1 TYR A 111 -4.139 18.298 -3.974 1.00 0.00 C ATOM 1500 CD2 TYR A 111 -6.492 18.241 -3.602 1.00 0.00 C ATOM 1501 CE1 TYR A 111 -4.320 19.205 -5.002 1.00 0.00 C ATOM 1502 CE2 TYR A 111 -6.682 19.145 -4.630 1.00 0.00 C ATOM 1503 CZ TYR A 111 -5.593 19.624 -5.326 1.00 0.00 C ATOM 1504 OH TYR A 111 -5.777 20.527 -6.349 1.00 0.00 O ATOM 0 H TYR A 111 -5.054 13.537 -2.181 1.00 0.00 H new ATOM 0 HA TYR A 111 -4.017 15.619 -3.590 1.00 0.00 H new ATOM 0 HB2 TYR A 111 -5.981 16.611 -1.660 1.00 0.00 H new ATOM 0 HB3 TYR A 111 -4.380 17.263 -1.372 1.00 0.00 H new ATOM 0 HD1 TYR A 111 -3.141 17.970 -3.724 1.00 0.00 H new ATOM 0 HD2 TYR A 111 -7.347 17.870 -3.057 1.00 0.00 H new ATOM 0 HE1 TYR A 111 -3.469 19.583 -5.548 1.00 0.00 H new ATOM 0 HE2 TYR A 111 -7.678 19.474 -4.887 1.00 0.00 H new ATOM 0 HH TYR A 111 -6.733 20.717 -6.450 1.00 0.00 H new ATOM 1514 N MET A 112 -2.639 13.944 -1.939 1.00 0.00 N ATOM 1515 CA MET A 112 -1.545 13.424 -1.125 1.00 0.00 C ATOM 1516 C MET A 112 -0.469 12.800 -2.003 1.00 0.00 C ATOM 1517 O MET A 112 -0.504 12.921 -3.227 1.00 0.00 O ATOM 1518 CB MET A 112 -2.082 12.374 -0.146 1.00 0.00 C ATOM 1519 CG MET A 112 -2.795 11.214 -0.831 1.00 0.00 C ATOM 1520 SD MET A 112 -1.980 9.624 -0.560 1.00 0.00 S ATOM 1521 CE MET A 112 -2.866 8.581 -1.720 1.00 0.00 C ATOM 0 H MET A 112 -2.883 13.358 -2.737 1.00 0.00 H new ATOM 0 HA MET A 112 -1.104 14.252 -0.569 1.00 0.00 H new ATOM 0 HB2 MET A 112 -1.254 11.983 0.446 1.00 0.00 H new ATOM 0 HB3 MET A 112 -2.771 12.855 0.548 1.00 0.00 H new ATOM 0 HG2 MET A 112 -3.820 11.158 -0.464 1.00 0.00 H new ATOM 0 HG3 MET A 112 -2.850 11.410 -1.902 1.00 0.00 H new ATOM 0 HE1 MET A 112 -2.549 7.546 -1.594 1.00 0.00 H new ATOM 0 HE2 MET A 112 -3.937 8.658 -1.534 1.00 0.00 H new ATOM 0 HE3 MET A 112 -2.650 8.905 -2.738 1.00 0.00 H new ATOM 1531 N ASN A 113 0.485 12.126 -1.369 1.00 0.00 N ATOM 1532 CA ASN A 113 1.564 11.477 -2.096 1.00 0.00 C ATOM 1533 C ASN A 113 1.520 9.966 -1.896 1.00 0.00 C ATOM 1534 O ASN A 113 1.419 9.480 -0.770 1.00 0.00 O ATOM 1535 CB ASN A 113 2.917 12.022 -1.636 1.00 0.00 C ATOM 1536 CG ASN A 113 3.195 13.410 -2.179 1.00 0.00 C ATOM 1537 OD1 ASN A 113 2.812 13.739 -3.301 1.00 0.00 O ATOM 1538 ND2 ASN A 113 3.867 14.233 -1.382 1.00 0.00 N ATOM 0 H ASN A 113 0.531 12.017 -0.356 1.00 0.00 H new ATOM 0 HA ASN A 113 1.435 11.691 -3.157 1.00 0.00 H new ATOM 0 HB2 ASN A 113 2.944 12.049 -0.547 1.00 0.00 H new ATOM 0 HB3 ASN A 113 3.707 11.344 -1.958 1.00 0.00 H new ATOM 0 HD21 ASN A 113 4.085 15.180 -1.693 1.00 0.00 H new ATOM 0 HD22 ASN A 113 4.165 13.918 -0.459 1.00 0.00 H new ATOM 1545 N VAL A 114 1.607 9.231 -2.998 1.00 0.00 N ATOM 1546 CA VAL A 114 1.590 7.776 -2.950 1.00 0.00 C ATOM 1547 C VAL A 114 2.999 7.230 -3.146 1.00 0.00 C ATOM 1548 O VAL A 114 3.403 6.904 -4.262 1.00 0.00 O ATOM 1549 CB VAL A 114 0.645 7.186 -4.021 1.00 0.00 C ATOM 1550 CG1 VAL A 114 0.786 5.673 -4.103 1.00 0.00 C ATOM 1551 CG2 VAL A 114 -0.794 7.568 -3.721 1.00 0.00 C ATOM 0 H VAL A 114 1.690 9.621 -3.937 1.00 0.00 H new ATOM 0 HA VAL A 114 1.217 7.479 -1.970 1.00 0.00 H new ATOM 0 HB VAL A 114 0.926 7.603 -4.988 1.00 0.00 H new ATOM 0 HG11 VAL A 114 0.109 5.285 -4.865 1.00 0.00 H new ATOM 0 HG12 VAL A 114 1.813 5.417 -4.365 1.00 0.00 H new ATOM 0 HG13 VAL A 114 0.537 5.232 -3.138 1.00 0.00 H new ATOM 0 HG21 VAL A 114 -1.449 7.146 -4.483 1.00 0.00 H new ATOM 0 HG22 VAL A 114 -1.077 7.179 -2.743 1.00 0.00 H new ATOM 0 HG23 VAL A 114 -0.890 8.654 -3.721 1.00 0.00 H new ATOM 1561 N HIS A 115 3.745 7.144 -2.050 1.00 0.00 N ATOM 1562 CA HIS A 115 5.114 6.651 -2.091 1.00 0.00 C ATOM 1563 C HIS A 115 5.177 5.241 -2.669 1.00 0.00 C ATOM 1564 O HIS A 115 5.941 4.979 -3.598 1.00 0.00 O ATOM 1565 CB HIS A 115 5.727 6.676 -0.687 1.00 0.00 C ATOM 1566 CG HIS A 115 7.092 6.063 -0.614 1.00 0.00 C ATOM 1567 ND1 HIS A 115 7.300 4.708 -0.457 1.00 0.00 N ATOM 1568 CD2 HIS A 115 8.322 6.626 -0.673 1.00 0.00 C ATOM 1569 CE1 HIS A 115 8.598 4.465 -0.424 1.00 0.00 C ATOM 1570 NE2 HIS A 115 9.240 5.611 -0.553 1.00 0.00 N ATOM 0 H HIS A 115 3.422 7.411 -1.120 1.00 0.00 H new ATOM 0 HA HIS A 115 5.690 7.308 -2.743 1.00 0.00 H new ATOM 0 HB2 HIS A 115 5.784 7.709 -0.343 1.00 0.00 H new ATOM 0 HB3 HIS A 115 5.064 6.148 -0.001 1.00 0.00 H new ATOM 0 HD2 HIS A 115 8.541 7.677 -0.792 1.00 0.00 H new ATOM 0 HE1 HIS A 115 9.056 3.494 -0.311 1.00 0.00 H new ATOM 0 HE2 HIS A 115 10.254 5.725 -0.562 1.00 0.00 H new ATOM 1579 N SER A 116 4.376 4.333 -2.118 1.00 0.00 N ATOM 1580 CA SER A 116 4.364 2.954 -2.596 1.00 0.00 C ATOM 1581 C SER A 116 3.305 2.113 -1.887 1.00 0.00 C ATOM 1582 O SER A 116 2.717 2.536 -0.891 1.00 0.00 O ATOM 1583 CB SER A 116 5.741 2.322 -2.391 1.00 0.00 C ATOM 1584 OG SER A 116 5.901 1.173 -3.204 1.00 0.00 O ATOM 0 H SER A 116 3.734 4.524 -1.349 1.00 0.00 H new ATOM 0 HA SER A 116 4.117 2.976 -3.657 1.00 0.00 H new ATOM 0 HB2 SER A 116 6.517 3.050 -2.628 1.00 0.00 H new ATOM 0 HB3 SER A 116 5.867 2.050 -1.343 1.00 0.00 H new ATOM 0 HG SER A 116 5.167 1.126 -3.852 1.00 0.00 H new ATOM 1590 N LEU A 117 3.083 0.912 -2.411 1.00 0.00 N ATOM 1591 CA LEU A 117 2.113 -0.022 -1.847 1.00 0.00 C ATOM 1592 C LEU A 117 2.839 -1.257 -1.322 1.00 0.00 C ATOM 1593 O LEU A 117 3.061 -2.217 -2.058 1.00 0.00 O ATOM 1594 CB LEU A 117 1.092 -0.425 -2.915 1.00 0.00 C ATOM 1595 CG LEU A 117 -0.340 -0.662 -2.419 1.00 0.00 C ATOM 1596 CD1 LEU A 117 -1.327 -0.514 -3.566 1.00 0.00 C ATOM 1597 CD2 LEU A 117 -0.452 -2.046 -1.776 1.00 0.00 C ATOM 0 H LEU A 117 3.568 0.559 -3.236 1.00 0.00 H new ATOM 0 HA LEU A 117 1.586 0.460 -1.024 1.00 0.00 H new ATOM 0 HB2 LEU A 117 1.067 0.353 -3.678 1.00 0.00 H new ATOM 0 HB3 LEU A 117 1.443 -1.336 -3.400 1.00 0.00 H new ATOM 0 HG LEU A 117 -0.582 0.087 -1.665 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -2.339 -0.685 -3.199 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -1.256 0.492 -3.980 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -1.094 -1.243 -4.342 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -1.473 -2.204 -1.427 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -0.197 -2.810 -2.510 1.00 0.00 H new ATOM 0 HD23 LEU A 117 0.234 -2.111 -0.931 1.00 0.00 H new ATOM 1609 N LYS A 118 3.229 -1.213 -0.053 1.00 0.00 N ATOM 1610 CA LYS A 118 3.956 -2.320 0.559 1.00 0.00 C ATOM 1611 C LYS A 118 3.010 -3.361 1.149 1.00 0.00 C ATOM 1612 O LYS A 118 1.998 -3.025 1.764 1.00 0.00 O ATOM 1613 CB LYS A 118 4.891 -1.793 1.650 1.00 0.00 C ATOM 1614 CG LYS A 118 5.719 -2.878 2.320 1.00 0.00 C ATOM 1615 CD LYS A 118 7.106 -2.375 2.684 1.00 0.00 C ATOM 1616 CE LYS A 118 8.115 -3.511 2.733 1.00 0.00 C ATOM 1617 NZ LYS A 118 7.591 -4.687 3.483 1.00 0.00 N ATOM 0 H LYS A 118 3.055 -0.425 0.571 1.00 0.00 H new ATOM 0 HA LYS A 118 4.540 -2.804 -0.224 1.00 0.00 H new ATOM 0 HB2 LYS A 118 5.562 -1.052 1.215 1.00 0.00 H new ATOM 0 HB3 LYS A 118 4.299 -1.280 2.408 1.00 0.00 H new ATOM 0 HG2 LYS A 118 5.209 -3.224 3.219 1.00 0.00 H new ATOM 0 HG3 LYS A 118 5.805 -3.736 1.653 1.00 0.00 H new ATOM 0 HD2 LYS A 118 7.428 -1.632 1.954 1.00 0.00 H new ATOM 0 HD3 LYS A 118 7.071 -1.876 3.652 1.00 0.00 H new ATOM 0 HE2 LYS A 118 8.372 -3.813 1.718 1.00 0.00 H new ATOM 0 HE3 LYS A 118 9.034 -3.161 3.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 8.385 -5.222 3.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 6.966 -4.361 4.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 7.055 -5.300 2.836 1.00 0.00 H new ATOM 1631 N LEU A 119 3.363 -4.631 0.965 1.00 0.00 N ATOM 1632 CA LEU A 119 2.568 -5.737 1.485 1.00 0.00 C ATOM 1633 C LEU A 119 3.475 -6.742 2.191 1.00 0.00 C ATOM 1634 O LEU A 119 4.477 -7.190 1.630 1.00 0.00 O ATOM 1635 CB LEU A 119 1.790 -6.422 0.355 1.00 0.00 C ATOM 1636 CG LEU A 119 0.261 -6.316 0.456 1.00 0.00 C ATOM 1637 CD1 LEU A 119 -0.331 -5.839 -0.861 1.00 0.00 C ATOM 1638 CD2 LEU A 119 -0.350 -7.652 0.860 1.00 0.00 C ATOM 0 H LEU A 119 4.199 -4.919 0.457 1.00 0.00 H new ATOM 0 HA LEU A 119 1.849 -5.343 2.203 1.00 0.00 H new ATOM 0 HB2 LEU A 119 2.106 -5.991 -0.595 1.00 0.00 H new ATOM 0 HB3 LEU A 119 2.064 -7.477 0.334 1.00 0.00 H new ATOM 0 HG LEU A 119 0.023 -5.584 1.228 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -1.415 -5.770 -0.769 1.00 0.00 H new ATOM 0 HD12 LEU A 119 0.075 -4.858 -1.108 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -0.078 -6.546 -1.651 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -1.433 -7.552 0.925 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -0.099 -8.407 0.115 1.00 0.00 H new ATOM 0 HD23 LEU A 119 0.045 -7.954 1.830 1.00 0.00 H new ATOM 1650 N GLU A 120 3.127 -7.081 3.429 1.00 0.00 N ATOM 1651 CA GLU A 120 3.918 -8.023 4.215 1.00 0.00 C ATOM 1652 C GLU A 120 3.124 -9.288 4.523 1.00 0.00 C ATOM 1653 O GLU A 120 1.897 -9.254 4.622 1.00 0.00 O ATOM 1654 CB GLU A 120 4.371 -7.365 5.521 1.00 0.00 C ATOM 1655 CG GLU A 120 5.541 -8.070 6.189 1.00 0.00 C ATOM 1656 CD GLU A 120 5.363 -8.204 7.688 1.00 0.00 C ATOM 1657 OE1 GLU A 120 4.528 -9.029 8.114 1.00 0.00 O ATOM 1658 OE2 GLU A 120 6.058 -7.485 8.435 1.00 0.00 O ATOM 0 H GLU A 120 2.304 -6.718 3.909 1.00 0.00 H new ATOM 0 HA GLU A 120 4.792 -8.303 3.626 1.00 0.00 H new ATOM 0 HB2 GLU A 120 4.650 -6.331 5.319 1.00 0.00 H new ATOM 0 HB3 GLU A 120 3.531 -7.339 6.215 1.00 0.00 H new ATOM 0 HG2 GLU A 120 5.661 -9.061 5.751 1.00 0.00 H new ATOM 0 HG3 GLU A 120 6.458 -7.518 5.984 1.00 0.00 H new ATOM 1665 N LEU A 121 3.833 -10.404 4.675 1.00 0.00 N ATOM 1666 CA LEU A 121 3.194 -11.682 4.976 1.00 0.00 C ATOM 1667 C LEU A 121 3.065 -11.894 6.484 1.00 0.00 C ATOM 1668 O LEU A 121 3.230 -13.008 6.981 1.00 0.00 O ATOM 1669 CB LEU A 121 3.997 -12.830 4.350 1.00 0.00 C ATOM 1670 CG LEU A 121 3.516 -13.304 2.974 1.00 0.00 C ATOM 1671 CD1 LEU A 121 2.494 -14.420 3.124 1.00 0.00 C ATOM 1672 CD2 LEU A 121 2.933 -12.149 2.171 1.00 0.00 C ATOM 0 H LEU A 121 4.849 -10.449 4.595 1.00 0.00 H new ATOM 0 HA LEU A 121 2.191 -11.669 4.550 1.00 0.00 H new ATOM 0 HB2 LEU A 121 5.037 -12.516 4.263 1.00 0.00 H new ATOM 0 HB3 LEU A 121 3.977 -13.679 5.034 1.00 0.00 H new ATOM 0 HG LEU A 121 4.377 -13.692 2.429 1.00 0.00 H new ATOM 0 HD11 LEU A 121 2.163 -14.745 2.138 1.00 0.00 H new ATOM 0 HD12 LEU A 121 2.947 -15.260 3.650 1.00 0.00 H new ATOM 0 HD13 LEU A 121 1.638 -14.056 3.692 1.00 0.00 H new ATOM 0 HD21 LEU A 121 2.600 -12.513 1.199 1.00 0.00 H new ATOM 0 HD22 LEU A 121 2.086 -11.723 2.709 1.00 0.00 H new ATOM 0 HD23 LEU A 121 3.695 -11.383 2.029 1.00 0.00 H new ATOM 1684 N LEU A 122 2.765 -10.818 7.210 1.00 0.00 N ATOM 1685 CA LEU A 122 2.609 -10.887 8.661 1.00 0.00 C ATOM 1686 C LEU A 122 3.763 -11.650 9.308 1.00 0.00 C ATOM 1687 O LEU A 122 3.602 -12.260 10.365 1.00 0.00 O ATOM 1688 CB LEU A 122 1.274 -11.548 9.017 1.00 0.00 C ATOM 1689 CG LEU A 122 0.203 -10.595 9.552 1.00 0.00 C ATOM 1690 CD1 LEU A 122 -1.178 -11.218 9.421 1.00 0.00 C ATOM 1691 CD2 LEU A 122 0.491 -10.232 11.001 1.00 0.00 C ATOM 0 H LEU A 122 2.625 -9.888 6.816 1.00 0.00 H new ATOM 0 HA LEU A 122 2.620 -9.869 9.049 1.00 0.00 H new ATOM 0 HB2 LEU A 122 0.885 -12.047 8.129 1.00 0.00 H new ATOM 0 HB3 LEU A 122 1.456 -12.321 9.763 1.00 0.00 H new ATOM 0 HG LEU A 122 0.225 -9.682 8.958 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -1.927 -10.526 9.806 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -1.384 -11.429 8.372 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -1.214 -12.146 9.991 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -0.280 -9.554 11.366 1.00 0.00 H new ATOM 0 HD22 LEU A 122 0.496 -11.137 11.609 1.00 0.00 H new ATOM 0 HD23 LEU A 122 1.464 -9.745 11.068 1.00 0.00 H new ATOM 1703 N GLY A 123 4.928 -11.610 8.668 1.00 0.00 N ATOM 1704 CA GLY A 123 6.089 -12.301 9.198 1.00 0.00 C ATOM 1705 C GLY A 123 5.914 -13.807 9.204 1.00 0.00 C ATOM 1706 O GLY A 123 6.222 -14.479 8.219 1.00 0.00 O ATOM 0 H GLY A 123 5.088 -11.112 7.793 1.00 0.00 H new ATOM 0 HA2 GLY A 123 6.965 -12.042 8.603 1.00 0.00 H new ATOM 0 HA3 GLY A 123 6.281 -11.956 10.214 1.00 0.00 H new TER 1710 GLY A 123