USER MOD reduce.3.24.130724 H: found=0, std=0, add=1064, rem=0, adj=41 USER MOD reduce.3.24.130724 removed 1058 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 76 GLN : amide:sc= -3.31! X(o=-4!,f=-4.4) USER MOD Set 1.2: B 150 MET CE :methyl 177:sc= -0.709 (180deg=-0.709) USER MOD Set 2.1: A 65 TYR OH : rot 150:sc= -1.45! USER MOD Set 2.2: B 141 MET CE :methyl 175:sc= -2.74 (180deg=-2.86) USER MOD Set 3.1: B 109 GLN : amide:sc= 0.347 K(o=0.44,f=-5!) USER MOD Set 3.2: B 110 THR OG1 : rot 180:sc= 0.0929 USER MOD Set 4.1: B 106 TYR OH : rot 180:sc= 0 USER MOD Set 4.2: B 112 GLN : amide:sc= 0 X(o=0,f=0.0011) USER MOD Set 5.1: A 46 TYR OH : rot 180:sc= -0.284 USER MOD Set 5.2: A 71 LYS NZ :NH3+ -156:sc= -0.373 (180deg=-0.624) USER MOD Set 6.1: A 20 HIS : no HE2:sc= 0.194 K(o=0.48,f=-3.1!) USER MOD Set 6.2: A 24 GLN : amide:sc= 0.289 K(o=0.48,f=-1.3) USER MOD Set 7.1: A 11 THR OG1 : rot 85:sc= 2.41 USER MOD Set 7.2: B 136 SER OG : rot 113:sc= 1.24 USER MOD Single : A 1 GLY N :NH3+ -128:sc= 0.179 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 169:sc= 2.49 (180deg=2.17) USER MOD Single : A 7 HIS : no HD1:sc= -0.36 X(o=-0.36,f=0) USER MOD Single : A 9 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 12 GLN :FLIP amide:sc= -0.02 F(o=-2.3!,f=-0.02) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 HIS : no HE2:sc= -2.52! C(o=-2.5!,f=-7.4!) USER MOD Single : A 21 LYS NZ :NH3+ -176:sc= 1.02 (180deg=0.854) USER MOD Single : A 29 THR OG1 : rot -100:sc= -0.394! USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 MET CE :methyl 175:sc= -3.32! (180deg=-3.63!) USER MOD Single : A 42 ASN :FLIP amide:sc= -0.0741 F(o=-2.5!,f=-0.074) USER MOD Single : A 48 LYS NZ :NH3+ -165:sc= -0.0219 (180deg=-0.239) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 MET CE :methyl 163:sc= -1.17 (180deg=-2.42!) USER MOD Single : A 55 TYR OH : rot 165:sc= -0.0257 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=0.0012) USER MOD Single : A 60 SER OG : rot 180:sc= 0.663 USER MOD Single : A 64 TYR OH : rot 24:sc= 0.875 USER MOD Single : A 66 HIS : no HD1:sc= 0 X(o=0,f=-0.0052) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 154:sc= 2.16 (180deg=0.814) USER MOD Single : A 82 LYS NZ :NH3+ -166:sc= 2.06 (180deg=1.38) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : B 102 SER OG : rot -107:sc= 1.2 USER MOD Single : B 103 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 104 SER OG : rot 180:sc= 0 USER MOD Single : B 105 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 108 ASN : amide:sc= -0.271 X(o=-0.27,f=-0.54) USER MOD Single : B 116 THR OG1 : rot 80:sc= 1.27 USER MOD Single : B 117 SER OG : rot -107:sc= 1.08 USER MOD Single : B 119 SER OG : rot 73:sc= 0.626 USER MOD Single : B 121 SER OG : rot -170:sc= 0 USER MOD Single : B 122 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 123 SER OG : rot -100:sc= 1.25 USER MOD Single : B 128 SER OG : rot 180:sc= 0 USER MOD Single : B 132 SER OG : rot 119:sc= 1.73 USER MOD Single : B 139 CYS SG : rot -92:sc= 0.305 USER MOD Single : B 143 SER OG : rot 180:sc= 0.0831 USER MOD Single : B 147 SER OG : rot -84:sc= 1.22 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -16.420 1.477 17.856 1.00 0.00 N ATOM 2 CA GLY A 1 -16.088 1.317 16.445 1.00 0.00 C ATOM 3 C GLY A 1 -16.280 2.617 15.727 1.00 0.00 C ATOM 4 O GLY A 1 -16.459 3.654 16.375 1.00 0.00 O ATOM 0 H1 GLY A 1 -15.634 1.126 18.440 1.00 0.00 H new ATOM 0 H2 GLY A 1 -16.582 2.483 18.063 1.00 0.00 H new ATOM 0 H3 GLY A 1 -17.281 0.936 18.073 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -15.056 0.983 16.341 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -16.719 0.548 15.999 1.00 0.00 H new ATOM 10 N VAL A 2 -16.239 2.593 14.417 1.00 0.00 N ATOM 11 CA VAL A 2 -16.453 3.795 13.647 1.00 0.00 C ATOM 12 C VAL A 2 -17.806 3.747 12.946 1.00 0.00 C ATOM 13 O VAL A 2 -18.170 2.742 12.316 1.00 0.00 O ATOM 14 CB VAL A 2 -15.305 4.092 12.623 1.00 0.00 C ATOM 15 CG1 VAL A 2 -13.985 4.312 13.342 1.00 0.00 C ATOM 16 CG2 VAL A 2 -15.161 2.985 11.582 1.00 0.00 C ATOM 0 H VAL A 2 -16.060 1.756 13.862 1.00 0.00 H new ATOM 0 HA VAL A 2 -16.445 4.622 14.358 1.00 0.00 H new ATOM 0 HB VAL A 2 -15.579 5.006 12.095 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -13.202 4.517 12.611 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -14.078 5.159 14.021 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -13.727 3.418 13.910 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -14.353 3.235 10.894 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -14.934 2.043 12.081 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -16.093 2.885 11.026 1.00 0.00 H new ATOM 26 N ARG A 3 -18.570 4.784 13.097 1.00 0.00 N ATOM 27 CA ARG A 3 -19.847 4.865 12.455 1.00 0.00 C ATOM 28 C ARG A 3 -19.822 5.786 11.283 1.00 0.00 C ATOM 29 O ARG A 3 -20.019 6.998 11.403 1.00 0.00 O ATOM 30 CB ARG A 3 -20.987 5.189 13.418 1.00 0.00 C ATOM 31 CG ARG A 3 -21.850 3.982 13.730 1.00 0.00 C ATOM 32 CD ARG A 3 -21.044 2.864 14.382 1.00 0.00 C ATOM 33 NE ARG A 3 -21.827 1.639 14.601 1.00 0.00 N ATOM 34 CZ ARG A 3 -21.302 0.398 14.690 1.00 0.00 C ATOM 35 NH1 ARG A 3 -19.982 0.220 14.624 1.00 0.00 N ATOM 36 NH2 ARG A 3 -22.089 -0.653 14.863 1.00 0.00 N ATOM 0 H ARG A 3 -18.328 5.595 13.666 1.00 0.00 H new ATOM 0 HA ARG A 3 -20.057 3.865 12.076 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -20.572 5.584 14.346 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -21.609 5.974 12.987 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -22.663 4.278 14.393 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -22.306 3.613 12.811 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -20.184 2.631 13.754 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -20.655 3.215 15.338 1.00 0.00 H new ATOM 0 HE ARG A 3 -22.839 1.733 14.692 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -19.364 1.023 14.506 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -19.590 -0.719 14.692 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -23.099 -0.528 14.930 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -21.685 -1.587 14.929 1.00 0.00 H new ATOM 50 N LYS A 4 -19.496 5.209 10.170 1.00 0.00 N ATOM 51 CA LYS A 4 -19.475 5.876 8.912 1.00 0.00 C ATOM 52 C LYS A 4 -20.054 4.949 7.853 1.00 0.00 C ATOM 53 O LYS A 4 -19.420 3.983 7.442 1.00 0.00 O ATOM 54 CB LYS A 4 -18.064 6.424 8.567 1.00 0.00 C ATOM 55 CG LYS A 4 -16.880 5.520 8.971 1.00 0.00 C ATOM 56 CD LYS A 4 -15.523 6.173 8.651 1.00 0.00 C ATOM 57 CE LYS A 4 -15.247 7.424 9.490 1.00 0.00 C ATOM 58 NZ LYS A 4 -14.083 8.182 8.996 1.00 0.00 N ATOM 0 H LYS A 4 -19.228 4.226 10.113 1.00 0.00 H new ATOM 0 HA LYS A 4 -20.105 6.765 8.955 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -18.014 6.598 7.492 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -17.941 7.392 9.053 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -16.936 5.304 10.038 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -16.956 4.567 8.448 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -14.728 5.447 8.820 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -15.494 6.438 7.594 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -16.127 8.067 9.481 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -15.076 7.133 10.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -14.045 9.107 9.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -13.212 7.652 9.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -14.170 8.322 7.969 1.00 0.00 H new ATOM 72 N GLY A 5 -21.274 5.271 7.439 1.00 0.00 N ATOM 73 CA GLY A 5 -22.119 4.427 6.573 1.00 0.00 C ATOM 74 C GLY A 5 -21.532 4.012 5.236 1.00 0.00 C ATOM 75 O GLY A 5 -22.045 3.087 4.594 1.00 0.00 O ATOM 0 H GLY A 5 -21.724 6.149 7.698 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -22.376 3.523 7.126 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -23.050 4.961 6.384 1.00 0.00 H new ATOM 79 N TRP A 6 -20.468 4.647 4.820 1.00 0.00 N ATOM 80 CA TRP A 6 -19.846 4.321 3.551 1.00 0.00 C ATOM 81 C TRP A 6 -19.101 2.988 3.609 1.00 0.00 C ATOM 82 O TRP A 6 -18.708 2.442 2.572 1.00 0.00 O ATOM 83 CB TRP A 6 -18.921 5.437 3.082 1.00 0.00 C ATOM 84 CG TRP A 6 -17.813 5.770 4.019 1.00 0.00 C ATOM 85 CD1 TRP A 6 -17.820 6.739 4.959 1.00 0.00 C ATOM 86 CD2 TRP A 6 -16.529 5.143 4.095 1.00 0.00 C ATOM 87 NE1 TRP A 6 -16.621 6.778 5.598 1.00 0.00 N ATOM 88 CE2 TRP A 6 -15.810 5.799 5.089 1.00 0.00 C ATOM 89 CE3 TRP A 6 -15.922 4.092 3.412 1.00 0.00 C ATOM 90 CZ2 TRP A 6 -14.513 5.444 5.418 1.00 0.00 C ATOM 91 CZ3 TRP A 6 -14.635 3.742 3.742 1.00 0.00 C ATOM 92 CH2 TRP A 6 -13.946 4.415 4.730 1.00 0.00 C ATOM 0 H TRP A 6 -20.008 5.396 5.338 1.00 0.00 H new ATOM 0 HA TRP A 6 -20.649 4.218 2.821 1.00 0.00 H new ATOM 0 HB2 TRP A 6 -18.492 5.153 2.121 1.00 0.00 H new ATOM 0 HB3 TRP A 6 -19.516 6.335 2.912 1.00 0.00 H new ATOM 0 HD1 TRP A 6 -18.656 7.388 5.172 1.00 0.00 H new ATOM 0 HE1 TRP A 6 -16.366 7.432 6.338 1.00 0.00 H new ATOM 0 HE3 TRP A 6 -16.454 3.561 2.636 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 -13.970 5.965 6.193 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 -14.155 2.927 3.220 1.00 0.00 H new ATOM 0 HH2 TRP A 6 -12.934 4.119 4.963 1.00 0.00 H new ATOM 103 N HIS A 7 -18.921 2.457 4.824 1.00 0.00 N ATOM 104 CA HIS A 7 -18.226 1.171 5.039 1.00 0.00 C ATOM 105 C HIS A 7 -18.944 0.007 4.321 1.00 0.00 C ATOM 106 O HIS A 7 -18.365 -1.044 4.080 1.00 0.00 O ATOM 107 CB HIS A 7 -18.054 0.865 6.557 1.00 0.00 C ATOM 108 CG HIS A 7 -19.333 0.551 7.329 1.00 0.00 C ATOM 109 ND1 HIS A 7 -19.439 -0.466 8.251 1.00 0.00 N ATOM 110 CD2 HIS A 7 -20.543 1.165 7.324 1.00 0.00 C ATOM 111 CE1 HIS A 7 -20.675 -0.439 8.762 1.00 0.00 C ATOM 112 NE2 HIS A 7 -21.387 0.539 8.231 1.00 0.00 N ATOM 0 H HIS A 7 -19.248 2.898 5.683 1.00 0.00 H new ATOM 0 HA HIS A 7 -17.233 1.267 4.601 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -17.374 0.019 6.661 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -17.571 1.722 7.027 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -20.809 2.012 6.708 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -21.042 -1.126 9.510 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -22.354 0.783 8.443 1.00 0.00 H new ATOM 120 N GLU A 8 -20.191 0.225 3.975 1.00 0.00 N ATOM 121 CA GLU A 8 -20.999 -0.756 3.272 1.00 0.00 C ATOM 122 C GLU A 8 -20.596 -0.823 1.799 1.00 0.00 C ATOM 123 O GLU A 8 -20.812 -1.828 1.122 1.00 0.00 O ATOM 124 CB GLU A 8 -22.457 -0.345 3.373 1.00 0.00 C ATOM 125 CG GLU A 8 -22.972 -0.256 4.793 1.00 0.00 C ATOM 126 CD GLU A 8 -23.159 -1.606 5.439 1.00 0.00 C ATOM 127 OE1 GLU A 8 -22.172 -2.293 5.725 1.00 0.00 O ATOM 128 OE2 GLU A 8 -24.320 -2.010 5.640 1.00 0.00 O ATOM 0 H GLU A 8 -20.683 1.096 4.174 1.00 0.00 H new ATOM 0 HA GLU A 8 -20.846 -1.737 3.721 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -22.586 0.623 2.889 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -23.065 -1.061 2.821 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -22.275 0.333 5.390 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -23.923 0.277 4.796 1.00 0.00 H new ATOM 135 N HIS A 9 -19.977 0.237 1.320 1.00 0.00 N ATOM 136 CA HIS A 9 -19.628 0.363 -0.090 1.00 0.00 C ATOM 137 C HIS A 9 -18.167 0.075 -0.329 1.00 0.00 C ATOM 138 O HIS A 9 -17.617 0.372 -1.402 1.00 0.00 O ATOM 139 CB HIS A 9 -19.981 1.754 -0.611 1.00 0.00 C ATOM 140 CG HIS A 9 -21.452 2.025 -0.622 1.00 0.00 C ATOM 141 ND1 HIS A 9 -22.282 1.797 -1.699 1.00 0.00 N ATOM 142 CD2 HIS A 9 -22.245 2.494 0.366 1.00 0.00 C ATOM 143 CE1 HIS A 9 -23.527 2.124 -1.330 1.00 0.00 C ATOM 144 NE2 HIS A 9 -23.556 2.555 -0.080 1.00 0.00 N ATOM 0 H HIS A 9 -19.700 1.036 1.891 1.00 0.00 H new ATOM 0 HA HIS A 9 -20.211 -0.378 -0.637 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -19.485 2.503 0.007 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -19.590 1.866 -1.622 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -21.909 2.778 1.352 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -24.394 2.046 -1.969 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -24.372 2.867 0.446 1.00 0.00 H new ATOM 152 N VAL A 10 -17.547 -0.497 0.640 1.00 0.00 N ATOM 153 CA VAL A 10 -16.175 -0.863 0.551 1.00 0.00 C ATOM 154 C VAL A 10 -16.010 -2.263 1.101 1.00 0.00 C ATOM 155 O VAL A 10 -16.204 -2.519 2.284 1.00 0.00 O ATOM 156 CB VAL A 10 -15.266 0.178 1.265 1.00 0.00 C ATOM 157 CG1 VAL A 10 -15.689 0.445 2.687 1.00 0.00 C ATOM 158 CG2 VAL A 10 -13.798 -0.181 1.169 1.00 0.00 C ATOM 0 H VAL A 10 -17.984 -0.729 1.532 1.00 0.00 H new ATOM 0 HA VAL A 10 -15.856 -0.864 -0.491 1.00 0.00 H new ATOM 0 HB VAL A 10 -15.400 1.115 0.724 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -15.019 1.179 3.134 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -16.708 0.831 2.697 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -15.646 -0.482 3.259 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -13.204 0.575 1.682 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -13.630 -1.152 1.635 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -13.502 -0.225 0.121 1.00 0.00 H new ATOM 168 N THR A 11 -15.722 -3.163 0.228 1.00 0.00 N ATOM 169 CA THR A 11 -15.613 -4.534 0.569 1.00 0.00 C ATOM 170 C THR A 11 -14.205 -4.969 0.835 1.00 0.00 C ATOM 171 O THR A 11 -13.240 -4.270 0.470 1.00 0.00 O ATOM 172 CB THR A 11 -16.223 -5.366 -0.523 1.00 0.00 C ATOM 173 OG1 THR A 11 -16.294 -4.557 -1.732 1.00 0.00 O ATOM 174 CG2 THR A 11 -17.588 -5.824 -0.104 1.00 0.00 C ATOM 0 H THR A 11 -15.553 -2.962 -0.758 1.00 0.00 H new ATOM 0 HA THR A 11 -16.154 -4.680 1.504 1.00 0.00 H new ATOM 0 HB THR A 11 -15.615 -6.250 -0.717 1.00 0.00 H new ATOM 0 HG1 THR A 11 -15.437 -4.601 -2.206 1.00 0.00 H new ATOM 0 HG21 THR A 11 -18.029 -6.427 -0.898 1.00 0.00 H new ATOM 0 HG22 THR A 11 -17.508 -6.421 0.804 1.00 0.00 H new ATOM 0 HG23 THR A 11 -18.220 -4.957 0.086 1.00 0.00 H new ATOM 182 N GLN A 12 -14.095 -6.143 1.436 1.00 0.00 N ATOM 183 CA GLN A 12 -12.843 -6.715 1.840 1.00 0.00 C ATOM 184 C GLN A 12 -11.912 -6.918 0.658 1.00 0.00 C ATOM 185 O GLN A 12 -10.726 -6.711 0.779 1.00 0.00 O ATOM 186 CB GLN A 12 -13.083 -8.026 2.628 1.00 0.00 C ATOM 187 CG GLN A 12 -11.829 -8.693 3.202 1.00 0.00 C ATOM 188 CD GLN A 12 -11.326 -9.906 2.416 1.00 0.00 C ATOM 189 OE1 GLN A 12 -11.580 -9.965 1.136 1.00 0.00 O flip ATOM 190 NE2 GLN A 12 -10.729 -10.814 2.994 1.00 0.00 N flip ATOM 0 H GLN A 12 -14.899 -6.730 1.657 1.00 0.00 H new ATOM 0 HA GLN A 12 -12.342 -6.012 2.506 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -13.768 -7.815 3.449 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -13.582 -8.738 1.971 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -11.031 -7.952 3.249 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -12.037 -9.003 4.226 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -10.542 -10.746 3.994 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -10.421 -11.635 2.473 1.00 0.00 H new ATOM 199 N ASP A 13 -12.449 -7.276 -0.489 1.00 0.00 N ATOM 200 CA ASP A 13 -11.596 -7.552 -1.640 1.00 0.00 C ATOM 201 C ASP A 13 -10.984 -6.280 -2.211 1.00 0.00 C ATOM 202 O ASP A 13 -9.835 -6.283 -2.617 1.00 0.00 O ATOM 203 CB ASP A 13 -12.311 -8.366 -2.715 1.00 0.00 C ATOM 204 CG ASP A 13 -11.374 -8.871 -3.811 1.00 0.00 C ATOM 205 OD1 ASP A 13 -10.503 -9.722 -3.508 1.00 0.00 O ATOM 206 OD2 ASP A 13 -11.541 -8.502 -4.995 1.00 0.00 O ATOM 0 H ASP A 13 -13.450 -7.383 -0.655 1.00 0.00 H new ATOM 0 HA ASP A 13 -10.776 -8.170 -1.274 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -12.805 -9.218 -2.248 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -13.091 -7.753 -3.167 1.00 0.00 H new ATOM 211 N LEU A 14 -11.729 -5.172 -2.133 1.00 0.00 N ATOM 212 CA LEU A 14 -11.268 -3.874 -2.641 1.00 0.00 C ATOM 213 C LEU A 14 -10.120 -3.439 -1.793 1.00 0.00 C ATOM 214 O LEU A 14 -9.044 -3.115 -2.269 1.00 0.00 O ATOM 215 CB LEU A 14 -12.432 -2.832 -2.552 1.00 0.00 C ATOM 216 CG LEU A 14 -12.194 -1.366 -3.049 1.00 0.00 C ATOM 217 CD1 LEU A 14 -11.411 -0.538 -2.050 1.00 0.00 C ATOM 218 CD2 LEU A 14 -11.480 -1.347 -4.380 1.00 0.00 C ATOM 0 H LEU A 14 -12.661 -5.148 -1.720 1.00 0.00 H new ATOM 0 HA LEU A 14 -10.958 -3.953 -3.683 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -13.275 -3.235 -3.114 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -12.742 -2.777 -1.508 1.00 0.00 H new ATOM 0 HG LEU A 14 -13.183 -0.921 -3.162 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -11.273 0.470 -2.442 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -11.959 -0.490 -1.109 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -10.438 -0.998 -1.880 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -11.330 -0.315 -4.698 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -10.513 -1.841 -4.281 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -12.081 -1.871 -5.123 1.00 0.00 H new ATOM 230 N ARG A 15 -10.349 -3.485 -0.529 1.00 0.00 N ATOM 231 CA ARG A 15 -9.381 -3.051 0.405 1.00 0.00 C ATOM 232 C ARG A 15 -8.170 -3.949 0.438 1.00 0.00 C ATOM 233 O ARG A 15 -7.067 -3.469 0.405 1.00 0.00 O ATOM 234 CB ARG A 15 -10.003 -2.843 1.746 1.00 0.00 C ATOM 235 CG ARG A 15 -10.753 -3.993 2.311 1.00 0.00 C ATOM 236 CD ARG A 15 -11.659 -3.498 3.383 1.00 0.00 C ATOM 237 NE ARG A 15 -10.894 -2.738 4.393 1.00 0.00 N ATOM 238 CZ ARG A 15 -11.167 -2.629 5.682 1.00 0.00 C ATOM 239 NH1 ARG A 15 -12.321 -3.091 6.176 1.00 0.00 N ATOM 240 NH2 ARG A 15 -10.291 -2.017 6.471 1.00 0.00 N ATOM 0 H ARG A 15 -11.217 -3.826 -0.115 1.00 0.00 H new ATOM 0 HA ARG A 15 -9.003 -2.083 0.076 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -9.216 -2.570 2.449 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -10.681 -1.992 1.680 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -11.329 -4.488 1.529 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -10.061 -4.733 2.714 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -12.432 -2.864 2.950 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -12.165 -4.339 3.857 1.00 0.00 H new ATOM 0 HE ARG A 15 -10.066 -2.244 4.060 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -13.001 -3.533 5.557 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -12.521 -3.002 7.172 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -9.427 -1.642 6.079 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -10.482 -1.922 7.468 1.00 0.00 H new ATOM 254 N SER A 16 -8.386 -5.250 0.410 1.00 0.00 N ATOM 255 CA SER A 16 -7.306 -6.218 0.408 1.00 0.00 C ATOM 256 C SER A 16 -6.463 -6.077 -0.879 1.00 0.00 C ATOM 257 O SER A 16 -5.272 -6.401 -0.902 1.00 0.00 O ATOM 258 CB SER A 16 -7.898 -7.628 0.552 1.00 0.00 C ATOM 259 OG SER A 16 -6.918 -8.661 0.542 1.00 0.00 O ATOM 0 H SER A 16 -9.317 -5.666 0.388 1.00 0.00 H new ATOM 0 HA SER A 16 -6.639 -6.036 1.250 1.00 0.00 H new ATOM 0 HB2 SER A 16 -8.462 -7.683 1.483 1.00 0.00 H new ATOM 0 HB3 SER A 16 -8.605 -7.801 -0.260 1.00 0.00 H new ATOM 0 HG SER A 16 -7.359 -9.531 0.639 1.00 0.00 H new ATOM 265 N HIS A 17 -7.096 -5.591 -1.933 1.00 0.00 N ATOM 266 CA HIS A 17 -6.444 -5.302 -3.210 1.00 0.00 C ATOM 267 C HIS A 17 -5.445 -4.161 -2.992 1.00 0.00 C ATOM 268 O HIS A 17 -4.248 -4.271 -3.314 1.00 0.00 O ATOM 269 CB HIS A 17 -7.545 -4.890 -4.227 1.00 0.00 C ATOM 270 CG HIS A 17 -7.123 -4.579 -5.635 1.00 0.00 C ATOM 271 ND1 HIS A 17 -7.509 -5.311 -6.728 1.00 0.00 N ATOM 272 CD2 HIS A 17 -6.405 -3.557 -6.119 1.00 0.00 C ATOM 273 CE1 HIS A 17 -7.027 -4.731 -7.811 1.00 0.00 C ATOM 274 NE2 HIS A 17 -6.342 -3.659 -7.505 1.00 0.00 N ATOM 0 H HIS A 17 -8.094 -5.381 -1.931 1.00 0.00 H new ATOM 0 HA HIS A 17 -5.908 -6.169 -3.596 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -8.279 -5.694 -4.268 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -8.055 -4.013 -3.830 1.00 0.00 H new ATOM 0 HD1 HIS A 17 -8.073 -6.160 -6.708 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -5.948 -2.778 -5.527 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -7.178 -5.093 -8.817 1.00 0.00 H new ATOM 282 N LEU A 18 -5.951 -3.095 -2.417 1.00 0.00 N ATOM 283 CA LEU A 18 -5.171 -1.905 -2.093 1.00 0.00 C ATOM 284 C LEU A 18 -4.057 -2.252 -1.103 1.00 0.00 C ATOM 285 O LEU A 18 -2.918 -1.828 -1.264 1.00 0.00 O ATOM 286 CB LEU A 18 -6.107 -0.816 -1.534 1.00 0.00 C ATOM 287 CG LEU A 18 -6.944 0.015 -2.555 1.00 0.00 C ATOM 288 CD1 LEU A 18 -7.558 -0.812 -3.660 1.00 0.00 C ATOM 289 CD2 LEU A 18 -8.061 0.700 -1.848 1.00 0.00 C ATOM 0 H LEU A 18 -6.933 -3.021 -2.153 1.00 0.00 H new ATOM 0 HA LEU A 18 -4.697 -1.520 -2.996 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -6.800 -1.293 -0.841 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -5.502 -0.121 -0.951 1.00 0.00 H new ATOM 0 HG LEU A 18 -6.242 0.717 -3.005 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -8.124 -0.163 -4.329 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -6.769 -1.312 -4.222 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -8.225 -1.558 -3.228 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -8.644 1.280 -2.564 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -8.703 -0.044 -1.375 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -7.655 1.366 -1.086 1.00 0.00 H new ATOM 301 N VAL A 19 -4.407 -3.059 -0.117 1.00 0.00 N ATOM 302 CA VAL A 19 -3.481 -3.587 0.892 1.00 0.00 C ATOM 303 C VAL A 19 -2.302 -4.334 0.210 1.00 0.00 C ATOM 304 O VAL A 19 -1.132 -4.082 0.504 1.00 0.00 O ATOM 305 CB VAL A 19 -4.239 -4.580 1.842 1.00 0.00 C ATOM 306 CG1 VAL A 19 -3.315 -5.335 2.699 1.00 0.00 C ATOM 307 CG2 VAL A 19 -5.220 -3.877 2.730 1.00 0.00 C ATOM 0 H VAL A 19 -5.367 -3.379 0.015 1.00 0.00 H new ATOM 0 HA VAL A 19 -3.087 -2.751 1.470 1.00 0.00 H new ATOM 0 HB VAL A 19 -4.770 -5.263 1.179 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -3.882 -6.010 3.340 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -2.632 -5.914 2.077 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -2.744 -4.642 3.317 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -5.720 -4.605 3.369 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -4.694 -3.151 3.350 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -5.961 -3.363 2.118 1.00 0.00 H new ATOM 317 N HIS A 20 -2.644 -5.237 -0.696 1.00 0.00 N ATOM 318 CA HIS A 20 -1.679 -6.015 -1.477 1.00 0.00 C ATOM 319 C HIS A 20 -0.707 -5.079 -2.219 1.00 0.00 C ATOM 320 O HIS A 20 0.514 -5.299 -2.250 1.00 0.00 O ATOM 321 CB HIS A 20 -2.473 -6.922 -2.446 1.00 0.00 C ATOM 322 CG HIS A 20 -1.711 -7.526 -3.582 1.00 0.00 C ATOM 323 ND1 HIS A 20 -2.076 -7.345 -4.889 1.00 0.00 N ATOM 324 CD2 HIS A 20 -0.613 -8.317 -3.600 1.00 0.00 C ATOM 325 CE1 HIS A 20 -1.226 -7.994 -5.657 1.00 0.00 C ATOM 326 NE2 HIS A 20 -0.302 -8.613 -4.929 1.00 0.00 N ATOM 0 H HIS A 20 -3.615 -5.458 -0.917 1.00 0.00 H new ATOM 0 HA HIS A 20 -1.067 -6.640 -0.826 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -2.917 -7.731 -1.867 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -3.295 -6.339 -2.861 1.00 0.00 H new ATOM 0 HD1 HIS A 20 -2.874 -6.798 -5.214 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -0.069 -8.661 -2.733 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -1.273 -8.020 -6.736 1.00 0.00 H new ATOM 334 N LYS A 21 -1.251 -4.038 -2.776 1.00 0.00 N ATOM 335 CA LYS A 21 -0.467 -3.051 -3.463 1.00 0.00 C ATOM 336 C LYS A 21 0.389 -2.238 -2.518 1.00 0.00 C ATOM 337 O LYS A 21 1.519 -1.888 -2.862 1.00 0.00 O ATOM 338 CB LYS A 21 -1.354 -2.198 -4.327 1.00 0.00 C ATOM 339 CG LYS A 21 -1.699 -2.897 -5.606 1.00 0.00 C ATOM 340 CD LYS A 21 -2.917 -2.312 -6.288 1.00 0.00 C ATOM 341 CE LYS A 21 -3.201 -3.043 -7.597 1.00 0.00 C ATOM 342 NZ LYS A 21 -2.099 -2.911 -8.574 1.00 0.00 N ATOM 0 H LYS A 21 -2.253 -3.847 -2.768 1.00 0.00 H new ATOM 0 HA LYS A 21 0.237 -3.567 -4.116 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -2.268 -1.954 -3.785 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -0.853 -1.256 -4.548 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -0.848 -2.843 -6.285 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -1.876 -3.953 -5.401 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -3.781 -2.387 -5.628 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -2.757 -1.252 -6.484 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -3.372 -4.099 -7.389 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -4.119 -2.651 -8.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -2.371 -3.368 -9.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -1.905 -1.904 -8.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -1.245 -3.369 -8.197 1.00 0.00 H new ATOM 356 N LEU A 22 -0.137 -1.945 -1.330 1.00 0.00 N ATOM 357 CA LEU A 22 0.617 -1.244 -0.295 1.00 0.00 C ATOM 358 C LEU A 22 1.887 -2.009 0.031 1.00 0.00 C ATOM 359 O LEU A 22 2.945 -1.409 0.188 1.00 0.00 O ATOM 360 CB LEU A 22 -0.238 -1.017 0.959 1.00 0.00 C ATOM 361 CG LEU A 22 -1.363 0.019 0.832 1.00 0.00 C ATOM 362 CD1 LEU A 22 -2.258 -0.008 2.057 1.00 0.00 C ATOM 363 CD2 LEU A 22 -0.769 1.387 0.718 1.00 0.00 C ATOM 0 H LEU A 22 -1.091 -2.185 -1.060 1.00 0.00 H new ATOM 0 HA LEU A 22 0.896 -0.261 -0.675 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -0.681 -1.970 1.249 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.420 -0.710 1.772 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.951 -0.222 -0.054 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -3.049 0.734 1.946 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.702 -0.998 2.162 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.667 0.221 2.944 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.567 2.124 0.628 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.176 1.601 1.607 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.130 1.434 -0.164 1.00 0.00 H new ATOM 375 N VAL A 23 1.756 -3.328 0.119 1.00 0.00 N ATOM 376 CA VAL A 23 2.886 -4.237 0.253 1.00 0.00 C ATOM 377 C VAL A 23 3.854 -4.052 -0.893 1.00 0.00 C ATOM 378 O VAL A 23 5.001 -3.844 -0.663 1.00 0.00 O ATOM 379 CB VAL A 23 2.452 -5.719 0.285 1.00 0.00 C ATOM 380 CG1 VAL A 23 3.675 -6.622 0.167 1.00 0.00 C ATOM 381 CG2 VAL A 23 1.742 -6.002 1.571 1.00 0.00 C ATOM 0 H VAL A 23 0.852 -3.800 0.099 1.00 0.00 H new ATOM 0 HA VAL A 23 3.363 -3.993 1.202 1.00 0.00 H new ATOM 0 HB VAL A 23 1.783 -5.915 -0.553 1.00 0.00 H new ATOM 0 HG11 VAL A 23 3.361 -7.665 0.190 1.00 0.00 H new ATOM 0 HG12 VAL A 23 4.188 -6.419 -0.773 1.00 0.00 H new ATOM 0 HG13 VAL A 23 4.352 -6.428 0.999 1.00 0.00 H new ATOM 0 HG21 VAL A 23 1.435 -7.048 1.595 1.00 0.00 H new ATOM 0 HG22 VAL A 23 2.411 -5.801 2.408 1.00 0.00 H new ATOM 0 HG23 VAL A 23 0.862 -5.364 1.649 1.00 0.00 H new ATOM 391 N GLN A 24 3.364 -4.119 -2.126 1.00 0.00 N ATOM 392 CA GLN A 24 4.232 -3.973 -3.304 1.00 0.00 C ATOM 393 C GLN A 24 5.059 -2.684 -3.299 1.00 0.00 C ATOM 394 O GLN A 24 6.185 -2.665 -3.789 1.00 0.00 O ATOM 395 CB GLN A 24 3.456 -4.105 -4.593 1.00 0.00 C ATOM 396 CG GLN A 24 3.027 -5.517 -4.875 1.00 0.00 C ATOM 397 CD GLN A 24 2.403 -5.661 -6.228 1.00 0.00 C ATOM 398 OE1 GLN A 24 2.698 -4.910 -7.159 1.00 0.00 O ATOM 399 NE2 GLN A 24 1.573 -6.621 -6.372 1.00 0.00 N ATOM 0 H GLN A 24 2.379 -4.272 -2.342 1.00 0.00 H new ATOM 0 HA GLN A 24 4.942 -4.798 -3.242 1.00 0.00 H new ATOM 0 HB2 GLN A 24 2.575 -3.465 -4.548 1.00 0.00 H new ATOM 0 HB3 GLN A 24 4.069 -3.745 -5.419 1.00 0.00 H new ATOM 0 HG2 GLN A 24 3.891 -6.178 -4.803 1.00 0.00 H new ATOM 0 HG3 GLN A 24 2.316 -5.838 -4.113 1.00 0.00 H new ATOM 0 HE21 GLN A 24 1.350 -7.225 -5.581 1.00 0.00 H new ATOM 0 HE22 GLN A 24 1.133 -6.783 -7.278 1.00 0.00 H new ATOM 408 N ALA A 25 4.493 -1.624 -2.750 1.00 0.00 N ATOM 409 CA ALA A 25 5.189 -0.364 -2.628 1.00 0.00 C ATOM 410 C ALA A 25 6.132 -0.347 -1.417 1.00 0.00 C ATOM 411 O ALA A 25 7.241 0.121 -1.496 1.00 0.00 O ATOM 412 CB ALA A 25 4.190 0.729 -2.501 1.00 0.00 C ATOM 0 H ALA A 25 3.543 -1.616 -2.379 1.00 0.00 H new ATOM 0 HA ALA A 25 5.799 -0.222 -3.520 1.00 0.00 H new ATOM 0 HB1 ALA A 25 4.706 1.685 -2.408 1.00 0.00 H new ATOM 0 HB2 ALA A 25 3.553 0.745 -3.386 1.00 0.00 H new ATOM 0 HB3 ALA A 25 3.577 0.560 -1.616 1.00 0.00 H new ATOM 418 N ILE A 26 5.683 -0.839 -0.279 1.00 0.00 N ATOM 419 CA ILE A 26 6.557 -0.832 0.897 1.00 0.00 C ATOM 420 C ILE A 26 7.658 -1.904 0.770 1.00 0.00 C ATOM 421 O ILE A 26 8.777 -1.758 1.256 1.00 0.00 O ATOM 422 CB ILE A 26 5.795 -1.044 2.249 1.00 0.00 C ATOM 423 CG1 ILE A 26 6.786 -0.896 3.426 1.00 0.00 C ATOM 424 CG2 ILE A 26 5.089 -2.386 2.278 1.00 0.00 C ATOM 425 CD1 ILE A 26 6.271 -1.363 4.755 1.00 0.00 C ATOM 0 H ILE A 26 4.755 -1.237 -0.136 1.00 0.00 H new ATOM 0 HA ILE A 26 6.997 0.165 0.923 1.00 0.00 H new ATOM 0 HB ILE A 26 5.022 -0.281 2.345 1.00 0.00 H new ATOM 0 HG12 ILE A 26 7.693 -1.453 3.189 1.00 0.00 H new ATOM 0 HG13 ILE A 26 7.070 0.153 3.512 1.00 0.00 H new ATOM 0 HG21 ILE A 26 4.569 -2.503 3.229 1.00 0.00 H new ATOM 0 HG22 ILE A 26 4.368 -2.436 1.462 1.00 0.00 H new ATOM 0 HG23 ILE A 26 5.822 -3.185 2.164 1.00 0.00 H new ATOM 0 HD11 ILE A 26 7.039 -1.218 5.514 1.00 0.00 H new ATOM 0 HD12 ILE A 26 5.383 -0.790 5.023 1.00 0.00 H new ATOM 0 HD13 ILE A 26 6.016 -2.421 4.695 1.00 0.00 H new ATOM 437 N PHE A 27 7.332 -2.940 0.124 1.00 0.00 N ATOM 438 CA PHE A 27 8.173 -4.052 -0.029 1.00 0.00 C ATOM 439 C PHE A 27 8.214 -4.480 -1.481 1.00 0.00 C ATOM 440 O PHE A 27 7.310 -5.180 -1.950 1.00 0.00 O ATOM 441 CB PHE A 27 7.680 -5.192 0.872 1.00 0.00 C ATOM 442 CG PHE A 27 8.197 -5.155 2.277 1.00 0.00 C ATOM 443 CD1 PHE A 27 9.518 -5.449 2.525 1.00 0.00 C ATOM 444 CD2 PHE A 27 7.372 -4.837 3.346 1.00 0.00 C ATOM 445 CE1 PHE A 27 10.015 -5.428 3.802 1.00 0.00 C ATOM 446 CE2 PHE A 27 7.864 -4.817 4.635 1.00 0.00 C ATOM 447 CZ PHE A 27 9.189 -5.113 4.865 1.00 0.00 C ATOM 0 H PHE A 27 6.428 -3.046 -0.337 1.00 0.00 H new ATOM 0 HA PHE A 27 9.188 -3.788 0.269 1.00 0.00 H new ATOM 0 HB2 PHE A 27 6.591 -5.168 0.901 1.00 0.00 H new ATOM 0 HB3 PHE A 27 7.966 -6.142 0.420 1.00 0.00 H new ATOM 0 HD1 PHE A 27 10.172 -5.700 1.703 1.00 0.00 H new ATOM 0 HD2 PHE A 27 6.333 -4.602 3.167 1.00 0.00 H new ATOM 0 HE1 PHE A 27 11.055 -5.658 3.979 1.00 0.00 H new ATOM 0 HE2 PHE A 27 7.212 -4.570 5.460 1.00 0.00 H new ATOM 0 HZ PHE A 27 9.581 -5.099 5.871 1.00 0.00 H new ATOM 457 N PRO A 28 9.233 -4.013 -2.247 1.00 0.00 N ATOM 458 CA PRO A 28 9.396 -4.399 -3.641 1.00 0.00 C ATOM 459 C PRO A 28 9.669 -5.896 -3.754 1.00 0.00 C ATOM 460 O PRO A 28 10.804 -6.364 -3.579 1.00 0.00 O ATOM 461 CB PRO A 28 10.593 -3.570 -4.142 1.00 0.00 C ATOM 462 CG PRO A 28 11.301 -3.112 -2.909 1.00 0.00 C ATOM 463 CD PRO A 28 10.269 -3.047 -1.816 1.00 0.00 C ATOM 0 HA PRO A 28 8.500 -4.211 -4.233 1.00 0.00 H new ATOM 0 HB2 PRO A 28 11.250 -4.169 -4.773 1.00 0.00 H new ATOM 0 HB3 PRO A 28 10.261 -2.723 -4.742 1.00 0.00 H new ATOM 0 HG2 PRO A 28 12.102 -3.802 -2.644 1.00 0.00 H new ATOM 0 HG3 PRO A 28 11.760 -2.136 -3.066 1.00 0.00 H new ATOM 0 HD2 PRO A 28 10.693 -3.320 -0.850 1.00 0.00 H new ATOM 0 HD3 PRO A 28 9.860 -2.042 -1.712 1.00 0.00 H new ATOM 471 N THR A 29 8.605 -6.631 -3.959 1.00 0.00 N ATOM 472 CA THR A 29 8.639 -8.056 -4.001 1.00 0.00 C ATOM 473 C THR A 29 9.509 -8.563 -5.167 1.00 0.00 C ATOM 474 O THR A 29 9.415 -8.060 -6.296 1.00 0.00 O ATOM 475 CB THR A 29 7.192 -8.644 -4.051 1.00 0.00 C ATOM 476 OG1 THR A 29 7.217 -10.061 -3.879 1.00 0.00 O ATOM 477 CG2 THR A 29 6.474 -8.304 -5.356 1.00 0.00 C ATOM 0 H THR A 29 7.675 -6.239 -4.104 1.00 0.00 H new ATOM 0 HA THR A 29 9.105 -8.412 -3.082 1.00 0.00 H new ATOM 0 HB THR A 29 6.639 -8.184 -3.232 1.00 0.00 H new ATOM 0 HG1 THR A 29 7.143 -10.498 -4.753 1.00 0.00 H new ATOM 0 HG21 THR A 29 5.473 -8.734 -5.343 1.00 0.00 H new ATOM 0 HG22 THR A 29 6.402 -7.221 -5.460 1.00 0.00 H new ATOM 0 HG23 THR A 29 7.034 -8.713 -6.197 1.00 0.00 H new ATOM 485 N PRO A 30 10.404 -9.528 -4.890 1.00 0.00 N ATOM 486 CA PRO A 30 11.285 -10.103 -5.905 1.00 0.00 C ATOM 487 C PRO A 30 10.505 -10.914 -6.940 1.00 0.00 C ATOM 488 O PRO A 30 10.843 -10.934 -8.128 1.00 0.00 O ATOM 489 CB PRO A 30 12.224 -11.021 -5.101 1.00 0.00 C ATOM 490 CG PRO A 30 11.504 -11.304 -3.831 1.00 0.00 C ATOM 491 CD PRO A 30 10.640 -10.109 -3.553 1.00 0.00 C ATOM 0 HA PRO A 30 11.812 -9.335 -6.470 1.00 0.00 H new ATOM 0 HB2 PRO A 30 12.436 -11.941 -5.646 1.00 0.00 H new ATOM 0 HB3 PRO A 30 13.181 -10.535 -4.911 1.00 0.00 H new ATOM 0 HG2 PRO A 30 10.900 -12.207 -3.921 1.00 0.00 H new ATOM 0 HG3 PRO A 30 12.208 -11.472 -3.016 1.00 0.00 H new ATOM 0 HD2 PRO A 30 9.705 -10.394 -3.070 1.00 0.00 H new ATOM 0 HD3 PRO A 30 11.138 -9.401 -2.891 1.00 0.00 H new ATOM 499 N ASP A 31 9.446 -11.534 -6.492 1.00 0.00 N ATOM 500 CA ASP A 31 8.628 -12.387 -7.325 1.00 0.00 C ATOM 501 C ASP A 31 7.237 -12.322 -6.768 1.00 0.00 C ATOM 502 O ASP A 31 7.086 -12.138 -5.557 1.00 0.00 O ATOM 503 CB ASP A 31 9.111 -13.840 -7.204 1.00 0.00 C ATOM 504 CG ASP A 31 8.483 -14.787 -8.214 1.00 0.00 C ATOM 505 OD1 ASP A 31 7.348 -15.238 -7.999 1.00 0.00 O ATOM 506 OD2 ASP A 31 9.127 -15.100 -9.243 1.00 0.00 O ATOM 0 H ASP A 31 9.120 -11.463 -5.528 1.00 0.00 H new ATOM 0 HA ASP A 31 8.676 -12.070 -8.367 1.00 0.00 H new ATOM 0 HB2 ASP A 31 10.194 -13.863 -7.324 1.00 0.00 H new ATOM 0 HB3 ASP A 31 8.894 -14.202 -6.199 1.00 0.00 H new ATOM 511 N PRO A 32 6.198 -12.427 -7.590 1.00 0.00 N ATOM 512 CA PRO A 32 4.823 -12.496 -7.110 1.00 0.00 C ATOM 513 C PRO A 32 4.572 -13.655 -6.108 1.00 0.00 C ATOM 514 O PRO A 32 3.581 -13.649 -5.364 1.00 0.00 O ATOM 515 CB PRO A 32 3.988 -12.703 -8.368 1.00 0.00 C ATOM 516 CG PRO A 32 4.960 -13.033 -9.448 1.00 0.00 C ATOM 517 CD PRO A 32 6.250 -12.394 -9.058 1.00 0.00 C ATOM 0 HA PRO A 32 4.570 -11.591 -6.558 1.00 0.00 H new ATOM 0 HB2 PRO A 32 3.267 -13.509 -8.231 1.00 0.00 H new ATOM 0 HB3 PRO A 32 3.420 -11.805 -8.613 1.00 0.00 H new ATOM 0 HG2 PRO A 32 5.076 -14.112 -9.551 1.00 0.00 H new ATOM 0 HG3 PRO A 32 4.615 -12.656 -10.411 1.00 0.00 H new ATOM 0 HD2 PRO A 32 7.107 -12.945 -9.445 1.00 0.00 H new ATOM 0 HD3 PRO A 32 6.328 -11.375 -9.437 1.00 0.00 H new ATOM 525 N ALA A 33 5.460 -14.635 -6.075 1.00 0.00 N ATOM 526 CA ALA A 33 5.314 -15.730 -5.140 1.00 0.00 C ATOM 527 C ALA A 33 5.868 -15.387 -3.759 1.00 0.00 C ATOM 528 O ALA A 33 5.714 -16.153 -2.806 1.00 0.00 O ATOM 529 CB ALA A 33 5.915 -17.015 -5.666 1.00 0.00 C ATOM 0 H ALA A 33 6.280 -14.692 -6.679 1.00 0.00 H new ATOM 0 HA ALA A 33 4.242 -15.894 -5.029 1.00 0.00 H new ATOM 0 HB1 ALA A 33 5.781 -17.807 -4.930 1.00 0.00 H new ATOM 0 HB2 ALA A 33 5.419 -17.295 -6.595 1.00 0.00 H new ATOM 0 HB3 ALA A 33 6.979 -16.869 -5.853 1.00 0.00 H new ATOM 535 N ALA A 34 6.495 -14.239 -3.629 1.00 0.00 N ATOM 536 CA ALA A 34 6.958 -13.791 -2.320 1.00 0.00 C ATOM 537 C ALA A 34 5.795 -13.156 -1.581 1.00 0.00 C ATOM 538 O ALA A 34 5.825 -12.948 -0.368 1.00 0.00 O ATOM 539 CB ALA A 34 8.115 -12.823 -2.451 1.00 0.00 C ATOM 0 H ALA A 34 6.698 -13.601 -4.398 1.00 0.00 H new ATOM 0 HA ALA A 34 7.323 -14.648 -1.753 1.00 0.00 H new ATOM 0 HB1 ALA A 34 8.439 -12.506 -1.459 1.00 0.00 H new ATOM 0 HB2 ALA A 34 8.943 -13.313 -2.964 1.00 0.00 H new ATOM 0 HB3 ALA A 34 7.798 -11.952 -3.024 1.00 0.00 H new ATOM 545 N LEU A 35 4.737 -12.934 -2.329 1.00 0.00 N ATOM 546 CA LEU A 35 3.524 -12.315 -1.852 1.00 0.00 C ATOM 547 C LEU A 35 2.610 -13.356 -1.210 1.00 0.00 C ATOM 548 O LEU A 35 1.480 -13.064 -0.846 1.00 0.00 O ATOM 549 CB LEU A 35 2.813 -11.684 -3.032 1.00 0.00 C ATOM 550 CG LEU A 35 3.639 -10.693 -3.834 1.00 0.00 C ATOM 551 CD1 LEU A 35 2.959 -10.375 -5.134 1.00 0.00 C ATOM 552 CD2 LEU A 35 3.875 -9.431 -3.039 1.00 0.00 C ATOM 0 H LEU A 35 4.698 -13.188 -3.316 1.00 0.00 H new ATOM 0 HA LEU A 35 3.771 -11.561 -1.104 1.00 0.00 H new ATOM 0 HB2 LEU A 35 2.479 -12.478 -3.700 1.00 0.00 H new ATOM 0 HB3 LEU A 35 1.920 -11.176 -2.668 1.00 0.00 H new ATOM 0 HG LEU A 35 4.606 -11.148 -4.051 1.00 0.00 H new ATOM 0 HD11 LEU A 35 3.564 -9.664 -5.696 1.00 0.00 H new ATOM 0 HD12 LEU A 35 2.840 -11.289 -5.715 1.00 0.00 H new ATOM 0 HD13 LEU A 35 1.979 -9.941 -4.935 1.00 0.00 H new ATOM 0 HD21 LEU A 35 4.468 -8.734 -3.631 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.918 -8.973 -2.791 1.00 0.00 H new ATOM 0 HD23 LEU A 35 4.410 -9.674 -2.121 1.00 0.00 H new ATOM 564 N LYS A 36 3.090 -14.570 -1.113 1.00 0.00 N ATOM 565 CA LYS A 36 2.333 -15.645 -0.499 1.00 0.00 C ATOM 566 C LYS A 36 3.222 -16.413 0.480 1.00 0.00 C ATOM 567 O LYS A 36 2.914 -17.522 0.900 1.00 0.00 O ATOM 568 CB LYS A 36 1.758 -16.560 -1.588 1.00 0.00 C ATOM 569 CG LYS A 36 2.808 -17.174 -2.497 1.00 0.00 C ATOM 570 CD LYS A 36 2.200 -17.967 -3.656 1.00 0.00 C ATOM 571 CE LYS A 36 1.418 -17.066 -4.611 1.00 0.00 C ATOM 572 NZ LYS A 36 0.879 -17.802 -5.772 1.00 0.00 N ATOM 0 H LYS A 36 4.011 -14.846 -1.454 1.00 0.00 H new ATOM 0 HA LYS A 36 1.497 -15.234 0.067 1.00 0.00 H new ATOM 0 HB2 LYS A 36 1.190 -17.360 -1.113 1.00 0.00 H new ATOM 0 HB3 LYS A 36 1.056 -15.988 -2.195 1.00 0.00 H new ATOM 0 HG2 LYS A 36 3.442 -16.383 -2.897 1.00 0.00 H new ATOM 0 HG3 LYS A 36 3.450 -17.831 -1.911 1.00 0.00 H new ATOM 0 HD2 LYS A 36 2.993 -18.476 -4.204 1.00 0.00 H new ATOM 0 HD3 LYS A 36 1.539 -18.739 -3.261 1.00 0.00 H new ATOM 0 HE2 LYS A 36 0.597 -16.596 -4.070 1.00 0.00 H new ATOM 0 HE3 LYS A 36 2.068 -16.265 -4.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 0.358 -17.146 -6.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 1.662 -18.230 -6.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 0.237 -18.550 -5.441 1.00 0.00 H new ATOM 586 N ASP A 37 4.315 -15.788 0.851 1.00 0.00 N ATOM 587 CA ASP A 37 5.285 -16.379 1.772 1.00 0.00 C ATOM 588 C ASP A 37 4.932 -15.960 3.193 1.00 0.00 C ATOM 589 O ASP A 37 3.999 -15.193 3.397 1.00 0.00 O ATOM 590 CB ASP A 37 6.678 -15.853 1.422 1.00 0.00 C ATOM 591 CG ASP A 37 7.794 -16.438 2.234 1.00 0.00 C ATOM 592 OD1 ASP A 37 8.089 -17.638 2.109 1.00 0.00 O ATOM 593 OD2 ASP A 37 8.378 -15.703 3.032 1.00 0.00 O ATOM 0 H ASP A 37 4.566 -14.854 0.528 1.00 0.00 H new ATOM 0 HA ASP A 37 5.268 -17.466 1.693 1.00 0.00 H new ATOM 0 HB2 ASP A 37 6.872 -16.052 0.368 1.00 0.00 H new ATOM 0 HB3 ASP A 37 6.684 -14.770 1.549 1.00 0.00 H new ATOM 598 N ARG A 38 5.662 -16.445 4.163 1.00 0.00 N ATOM 599 CA ARG A 38 5.462 -16.056 5.536 1.00 0.00 C ATOM 600 C ARG A 38 5.919 -14.619 5.753 1.00 0.00 C ATOM 601 O ARG A 38 5.406 -13.930 6.610 1.00 0.00 O ATOM 602 CB ARG A 38 6.146 -17.024 6.497 1.00 0.00 C ATOM 603 CG ARG A 38 7.677 -16.936 6.648 1.00 0.00 C ATOM 604 CD ARG A 38 8.423 -17.517 5.470 1.00 0.00 C ATOM 605 NE ARG A 38 9.877 -17.532 5.690 1.00 0.00 N ATOM 606 CZ ARG A 38 10.807 -17.834 4.768 1.00 0.00 C ATOM 607 NH1 ARG A 38 10.469 -18.000 3.486 1.00 0.00 N ATOM 608 NH2 ARG A 38 12.084 -17.907 5.130 1.00 0.00 N ATOM 0 H ARG A 38 6.413 -17.121 4.024 1.00 0.00 H new ATOM 0 HA ARG A 38 4.395 -16.103 5.753 1.00 0.00 H new ATOM 0 HB2 ARG A 38 5.705 -16.882 7.484 1.00 0.00 H new ATOM 0 HB3 ARG A 38 5.900 -18.038 6.181 1.00 0.00 H new ATOM 0 HG2 ARG A 38 7.964 -15.892 6.773 1.00 0.00 H new ATOM 0 HG3 ARG A 38 7.977 -17.460 7.555 1.00 0.00 H new ATOM 0 HD2 ARG A 38 8.074 -18.533 5.286 1.00 0.00 H new ATOM 0 HD3 ARG A 38 8.198 -16.935 4.576 1.00 0.00 H new ATOM 0 HE ARG A 38 10.209 -17.292 6.624 1.00 0.00 H new ATOM 0 HH11 ARG A 38 9.496 -17.898 3.198 1.00 0.00 H new ATOM 0 HH12 ARG A 38 11.184 -18.229 2.796 1.00 0.00 H new ATOM 0 HH21 ARG A 38 12.350 -17.735 6.100 1.00 0.00 H new ATOM 0 HH22 ARG A 38 12.798 -18.135 4.438 1.00 0.00 H new ATOM 622 N ARG A 39 6.872 -14.164 4.931 1.00 0.00 N ATOM 623 CA ARG A 39 7.324 -12.775 4.971 1.00 0.00 C ATOM 624 C ARG A 39 6.148 -11.846 4.677 1.00 0.00 C ATOM 625 O ARG A 39 5.997 -10.779 5.280 1.00 0.00 O ATOM 626 CB ARG A 39 8.445 -12.566 3.949 1.00 0.00 C ATOM 627 CG ARG A 39 8.876 -11.122 3.781 1.00 0.00 C ATOM 628 CD ARG A 39 9.970 -10.965 2.750 1.00 0.00 C ATOM 629 NE ARG A 39 11.258 -11.490 3.213 1.00 0.00 N ATOM 630 CZ ARG A 39 12.260 -11.891 2.414 1.00 0.00 C ATOM 631 NH1 ARG A 39 12.057 -12.071 1.110 1.00 0.00 N ATOM 632 NH2 ARG A 39 13.451 -12.159 2.935 1.00 0.00 N ATOM 0 H ARG A 39 7.342 -14.739 4.232 1.00 0.00 H new ATOM 0 HA ARG A 39 7.712 -12.545 5.963 1.00 0.00 H new ATOM 0 HB2 ARG A 39 9.309 -13.158 4.249 1.00 0.00 H new ATOM 0 HB3 ARG A 39 8.116 -12.949 2.983 1.00 0.00 H new ATOM 0 HG2 ARG A 39 8.015 -10.520 3.489 1.00 0.00 H new ATOM 0 HG3 ARG A 39 9.225 -10.736 4.739 1.00 0.00 H new ATOM 0 HD2 ARG A 39 9.679 -11.481 1.835 1.00 0.00 H new ATOM 0 HD3 ARG A 39 10.080 -9.910 2.500 1.00 0.00 H new ATOM 0 HE ARG A 39 11.404 -11.556 4.220 1.00 0.00 H new ATOM 0 HH11 ARG A 39 11.134 -11.904 0.710 1.00 0.00 H new ATOM 0 HH12 ARG A 39 12.825 -12.376 0.512 1.00 0.00 H new ATOM 0 HH21 ARG A 39 13.602 -12.060 3.939 1.00 0.00 H new ATOM 0 HH22 ARG A 39 14.215 -12.464 2.332 1.00 0.00 H new ATOM 646 N MET A 40 5.295 -12.308 3.798 1.00 0.00 N ATOM 647 CA MET A 40 4.094 -11.607 3.388 1.00 0.00 C ATOM 648 C MET A 40 3.175 -11.299 4.566 1.00 0.00 C ATOM 649 O MET A 40 2.552 -10.273 4.564 1.00 0.00 O ATOM 650 CB MET A 40 3.383 -12.400 2.265 1.00 0.00 C ATOM 651 CG MET A 40 1.858 -12.220 2.099 1.00 0.00 C ATOM 652 SD MET A 40 1.269 -10.514 1.891 1.00 0.00 S ATOM 653 CE MET A 40 2.325 -9.906 0.606 1.00 0.00 C ATOM 0 H MET A 40 5.416 -13.207 3.332 1.00 0.00 H new ATOM 0 HA MET A 40 4.380 -10.635 2.985 1.00 0.00 H new ATOM 0 HB2 MET A 40 3.855 -12.134 1.319 1.00 0.00 H new ATOM 0 HB3 MET A 40 3.577 -13.460 2.431 1.00 0.00 H new ATOM 0 HG2 MET A 40 1.537 -12.801 1.235 1.00 0.00 H new ATOM 0 HG3 MET A 40 1.366 -12.648 2.972 1.00 0.00 H new ATOM 0 HE1 MET A 40 2.011 -8.902 0.322 1.00 0.00 H new ATOM 0 HE2 MET A 40 3.354 -9.877 0.964 1.00 0.00 H new ATOM 0 HE3 MET A 40 2.261 -10.565 -0.260 1.00 0.00 H new ATOM 663 N GLU A 41 3.130 -12.143 5.599 1.00 0.00 N ATOM 664 CA GLU A 41 2.221 -11.842 6.712 1.00 0.00 C ATOM 665 C GLU A 41 2.648 -10.540 7.413 1.00 0.00 C ATOM 666 O GLU A 41 1.818 -9.768 7.848 1.00 0.00 O ATOM 667 CB GLU A 41 2.098 -12.992 7.708 1.00 0.00 C ATOM 668 CG GLU A 41 3.272 -13.169 8.632 1.00 0.00 C ATOM 669 CD GLU A 41 3.123 -14.373 9.506 1.00 0.00 C ATOM 670 OE1 GLU A 41 2.205 -14.392 10.347 1.00 0.00 O ATOM 671 OE2 GLU A 41 3.898 -15.336 9.353 1.00 0.00 O ATOM 0 H GLU A 41 3.680 -12.997 5.691 1.00 0.00 H new ATOM 0 HA GLU A 41 1.227 -11.705 6.286 1.00 0.00 H new ATOM 0 HB2 GLU A 41 1.203 -12.836 8.310 1.00 0.00 H new ATOM 0 HB3 GLU A 41 1.951 -13.918 7.152 1.00 0.00 H new ATOM 0 HG2 GLU A 41 4.185 -13.259 8.044 1.00 0.00 H new ATOM 0 HG3 GLU A 41 3.380 -12.281 9.254 1.00 0.00 H new ATOM 678 N ASN A 42 3.955 -10.292 7.426 1.00 0.00 N ATOM 679 CA ASN A 42 4.543 -9.062 7.991 1.00 0.00 C ATOM 680 C ASN A 42 4.246 -7.898 7.065 1.00 0.00 C ATOM 681 O ASN A 42 3.838 -6.792 7.490 1.00 0.00 O ATOM 682 CB ASN A 42 6.075 -9.239 8.130 1.00 0.00 C ATOM 683 CG ASN A 42 6.843 -7.916 8.185 1.00 0.00 C ATOM 684 OD1 ASN A 42 7.287 -7.459 7.028 1.00 0.00 O flip ATOM 685 ND2 ASN A 42 7.062 -7.345 9.237 1.00 0.00 N flip ATOM 0 H ASN A 42 4.647 -10.937 7.045 1.00 0.00 H new ATOM 0 HA ASN A 42 4.113 -8.866 8.973 1.00 0.00 H new ATOM 0 HB2 ASN A 42 6.286 -9.809 9.035 1.00 0.00 H new ATOM 0 HB3 ASN A 42 6.442 -9.828 7.289 1.00 0.00 H new ATOM 0 HD21 ASN A 42 6.702 -7.729 10.110 1.00 0.00 H new ATOM 0 HD22 ASN A 42 7.606 -6.482 9.245 1.00 0.00 H new ATOM 692 N LEU A 43 4.455 -8.169 5.799 1.00 0.00 N ATOM 693 CA LEU A 43 4.228 -7.226 4.724 1.00 0.00 C ATOM 694 C LEU A 43 2.791 -6.714 4.768 1.00 0.00 C ATOM 695 O LEU A 43 2.524 -5.500 4.896 1.00 0.00 O ATOM 696 CB LEU A 43 4.468 -7.950 3.389 1.00 0.00 C ATOM 697 CG LEU A 43 5.902 -8.033 2.820 1.00 0.00 C ATOM 698 CD1 LEU A 43 6.944 -8.252 3.859 1.00 0.00 C ATOM 699 CD2 LEU A 43 6.035 -9.073 1.712 1.00 0.00 C ATOM 0 H LEU A 43 4.797 -9.075 5.477 1.00 0.00 H new ATOM 0 HA LEU A 43 4.905 -6.378 4.828 1.00 0.00 H new ATOM 0 HB2 LEU A 43 4.100 -8.970 3.499 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.845 -7.466 2.637 1.00 0.00 H new ATOM 0 HG LEU A 43 6.081 -7.048 2.388 1.00 0.00 H new ATOM 0 HD11 LEU A 43 7.925 -8.300 3.386 1.00 0.00 H new ATOM 0 HD12 LEU A 43 6.925 -7.428 4.573 1.00 0.00 H new ATOM 0 HD13 LEU A 43 6.747 -9.189 4.380 1.00 0.00 H new ATOM 0 HD21 LEU A 43 7.063 -9.089 1.349 1.00 0.00 H new ATOM 0 HD22 LEU A 43 5.773 -10.056 2.103 1.00 0.00 H new ATOM 0 HD23 LEU A 43 5.364 -8.818 0.891 1.00 0.00 H new ATOM 711 N VAL A 44 1.880 -7.651 4.721 1.00 0.00 N ATOM 712 CA VAL A 44 0.487 -7.369 4.680 1.00 0.00 C ATOM 713 C VAL A 44 0.023 -6.816 6.022 1.00 0.00 C ATOM 714 O VAL A 44 -0.915 -6.063 6.071 1.00 0.00 O ATOM 715 CB VAL A 44 -0.338 -8.618 4.251 1.00 0.00 C ATOM 716 CG1 VAL A 44 -0.601 -9.604 5.382 1.00 0.00 C ATOM 717 CG2 VAL A 44 -1.594 -8.229 3.513 1.00 0.00 C ATOM 0 H VAL A 44 2.100 -8.647 4.710 1.00 0.00 H new ATOM 0 HA VAL A 44 0.313 -6.606 3.921 1.00 0.00 H new ATOM 0 HB VAL A 44 0.293 -9.165 3.550 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -1.181 -10.446 5.003 1.00 0.00 H new ATOM 0 HG12 VAL A 44 0.348 -9.966 5.777 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -1.159 -9.107 6.176 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -2.143 -9.127 3.230 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -2.218 -7.610 4.158 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -1.330 -7.668 2.617 1.00 0.00 H new ATOM 727 N ALA A 45 0.717 -7.193 7.099 1.00 0.00 N ATOM 728 CA ALA A 45 0.418 -6.681 8.442 1.00 0.00 C ATOM 729 C ALA A 45 0.513 -5.159 8.454 1.00 0.00 C ATOM 730 O ALA A 45 -0.411 -4.468 8.924 1.00 0.00 O ATOM 731 CB ALA A 45 1.361 -7.273 9.478 1.00 0.00 C ATOM 0 H ALA A 45 1.493 -7.854 7.068 1.00 0.00 H new ATOM 0 HA ALA A 45 -0.598 -6.979 8.701 1.00 0.00 H new ATOM 0 HB1 ALA A 45 1.115 -6.875 10.463 1.00 0.00 H new ATOM 0 HB2 ALA A 45 1.256 -8.358 9.488 1.00 0.00 H new ATOM 0 HB3 ALA A 45 2.389 -7.011 9.227 1.00 0.00 H new ATOM 737 N TYR A 46 1.621 -4.633 7.917 1.00 0.00 N ATOM 738 CA TYR A 46 1.786 -3.173 7.772 1.00 0.00 C ATOM 739 C TYR A 46 0.723 -2.620 6.855 1.00 0.00 C ATOM 740 O TYR A 46 0.126 -1.583 7.139 1.00 0.00 O ATOM 741 CB TYR A 46 3.195 -2.789 7.220 1.00 0.00 C ATOM 742 CG TYR A 46 3.255 -1.410 6.493 1.00 0.00 C ATOM 743 CD1 TYR A 46 2.938 -1.308 5.124 1.00 0.00 C ATOM 744 CD2 TYR A 46 3.597 -0.234 7.156 1.00 0.00 C ATOM 745 CE1 TYR A 46 2.963 -0.099 4.460 1.00 0.00 C ATOM 746 CE2 TYR A 46 3.619 0.987 6.477 1.00 0.00 C ATOM 747 CZ TYR A 46 3.301 1.040 5.139 1.00 0.00 C ATOM 748 OH TYR A 46 3.318 2.252 4.475 1.00 0.00 O ATOM 0 H TYR A 46 2.410 -5.184 7.578 1.00 0.00 H new ATOM 0 HA TYR A 46 1.687 -2.739 8.767 1.00 0.00 H new ATOM 0 HB2 TYR A 46 3.904 -2.780 8.047 1.00 0.00 H new ATOM 0 HB3 TYR A 46 3.523 -3.564 6.528 1.00 0.00 H new ATOM 0 HD1 TYR A 46 2.668 -2.201 4.579 1.00 0.00 H new ATOM 0 HD2 TYR A 46 3.848 -0.266 8.206 1.00 0.00 H new ATOM 0 HE1 TYR A 46 2.717 -0.052 3.409 1.00 0.00 H new ATOM 0 HE2 TYR A 46 3.886 1.891 7.003 1.00 0.00 H new ATOM 0 HH TYR A 46 3.577 2.963 5.098 1.00 0.00 H new ATOM 758 N ALA A 47 0.513 -3.289 5.749 1.00 0.00 N ATOM 759 CA ALA A 47 -0.438 -2.826 4.776 1.00 0.00 C ATOM 760 C ALA A 47 -1.824 -2.671 5.399 1.00 0.00 C ATOM 761 O ALA A 47 -2.447 -1.643 5.261 1.00 0.00 O ATOM 762 CB ALA A 47 -0.446 -3.747 3.595 1.00 0.00 C ATOM 0 H ALA A 47 0.989 -4.156 5.502 1.00 0.00 H new ATOM 0 HA ALA A 47 -0.141 -1.838 4.425 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -1.169 -3.391 2.861 1.00 0.00 H new ATOM 0 HB2 ALA A 47 0.547 -3.771 3.145 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -0.722 -4.751 3.918 1.00 0.00 H new ATOM 768 N LYS A 48 -2.229 -3.671 6.152 1.00 0.00 N ATOM 769 CA LYS A 48 -3.500 -3.692 6.868 1.00 0.00 C ATOM 770 C LYS A 48 -3.595 -2.609 7.939 1.00 0.00 C ATOM 771 O LYS A 48 -4.623 -1.957 8.068 1.00 0.00 O ATOM 772 CB LYS A 48 -3.676 -5.042 7.521 1.00 0.00 C ATOM 773 CG LYS A 48 -3.983 -6.167 6.551 1.00 0.00 C ATOM 774 CD LYS A 48 -3.872 -7.508 7.240 1.00 0.00 C ATOM 775 CE LYS A 48 -4.356 -8.648 6.356 1.00 0.00 C ATOM 776 NZ LYS A 48 -5.807 -8.563 6.071 1.00 0.00 N ATOM 0 H LYS A 48 -1.675 -4.516 6.291 1.00 0.00 H new ATOM 0 HA LYS A 48 -4.286 -3.499 6.138 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -2.767 -5.289 8.070 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -4.482 -4.977 8.252 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -4.987 -6.042 6.146 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -3.293 -6.127 5.708 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -2.834 -7.685 7.523 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -4.455 -7.491 8.161 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -3.803 -8.636 5.417 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -4.139 -9.599 6.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -6.140 -9.472 5.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -6.321 -8.346 6.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -5.980 -7.812 5.373 1.00 0.00 H new ATOM 790 N LYS A 49 -2.529 -2.425 8.715 1.00 0.00 N ATOM 791 CA LYS A 49 -2.545 -1.441 9.799 1.00 0.00 C ATOM 792 C LYS A 49 -2.706 -0.021 9.225 1.00 0.00 C ATOM 793 O LYS A 49 -3.508 0.800 9.723 1.00 0.00 O ATOM 794 CB LYS A 49 -1.276 -1.574 10.705 1.00 0.00 C ATOM 795 CG LYS A 49 0.026 -1.234 10.069 1.00 0.00 C ATOM 796 CD LYS A 49 1.189 -1.432 11.040 1.00 0.00 C ATOM 797 CE LYS A 49 2.487 -0.838 10.505 1.00 0.00 C ATOM 798 NZ LYS A 49 3.610 -0.967 11.461 1.00 0.00 N ATOM 0 H LYS A 49 -1.652 -2.937 8.617 1.00 0.00 H new ATOM 0 HA LYS A 49 -3.405 -1.639 10.439 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -1.409 -0.933 11.576 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -1.221 -2.600 11.069 1.00 0.00 H new ATOM 0 HG2 LYS A 49 0.176 -1.857 9.187 1.00 0.00 H new ATOM 0 HG3 LYS A 49 0.007 -0.199 9.728 1.00 0.00 H new ATOM 0 HD2 LYS A 49 0.946 -0.969 11.996 1.00 0.00 H new ATOM 0 HD3 LYS A 49 1.328 -2.497 11.227 1.00 0.00 H new ATOM 0 HE2 LYS A 49 2.751 -1.334 9.571 1.00 0.00 H new ATOM 0 HE3 LYS A 49 2.331 0.216 10.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 4.467 -0.548 11.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 3.373 -0.471 12.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 3.780 -1.973 11.664 1.00 0.00 H new ATOM 812 N VAL A 50 -2.007 0.214 8.135 1.00 0.00 N ATOM 813 CA VAL A 50 -2.023 1.479 7.446 1.00 0.00 C ATOM 814 C VAL A 50 -3.340 1.684 6.700 1.00 0.00 C ATOM 815 O VAL A 50 -3.948 2.749 6.797 1.00 0.00 O ATOM 816 CB VAL A 50 -0.794 1.587 6.502 1.00 0.00 C ATOM 817 CG1 VAL A 50 -0.885 2.772 5.570 1.00 0.00 C ATOM 818 CG2 VAL A 50 0.457 1.705 7.339 1.00 0.00 C ATOM 0 H VAL A 50 -1.403 -0.483 7.699 1.00 0.00 H new ATOM 0 HA VAL A 50 -1.952 2.281 8.181 1.00 0.00 H new ATOM 0 HB VAL A 50 -0.768 0.689 5.885 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.002 2.802 4.932 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -1.777 2.680 4.951 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -0.942 3.691 6.154 1.00 0.00 H new ATOM 0 HG21 VAL A 50 1.326 1.781 6.686 1.00 0.00 H new ATOM 0 HG22 VAL A 50 0.394 2.596 7.964 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.556 0.823 7.972 1.00 0.00 H new ATOM 828 N GLU A 51 -3.787 0.648 6.004 1.00 0.00 N ATOM 829 CA GLU A 51 -5.051 0.664 5.274 1.00 0.00 C ATOM 830 C GLU A 51 -6.176 0.968 6.249 1.00 0.00 C ATOM 831 O GLU A 51 -7.017 1.833 5.993 1.00 0.00 O ATOM 832 CB GLU A 51 -5.240 -0.699 4.572 1.00 0.00 C ATOM 833 CG GLU A 51 -6.468 -0.863 3.678 1.00 0.00 C ATOM 834 CD GLU A 51 -7.774 -1.142 4.445 1.00 0.00 C ATOM 835 OE1 GLU A 51 -7.723 -1.651 5.581 1.00 0.00 O ATOM 836 OE2 GLU A 51 -8.864 -0.900 3.915 1.00 0.00 O ATOM 0 H GLU A 51 -3.281 -0.234 5.928 1.00 0.00 H new ATOM 0 HA GLU A 51 -5.055 1.438 4.507 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -4.354 -0.892 3.967 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -5.276 -1.472 5.340 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -6.595 0.042 3.084 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -6.288 -1.680 2.979 1.00 0.00 H new ATOM 843 N GLY A 52 -6.130 0.293 7.394 1.00 0.00 N ATOM 844 CA GLY A 52 -7.094 0.488 8.443 1.00 0.00 C ATOM 845 C GLY A 52 -7.149 1.915 8.901 1.00 0.00 C ATOM 846 O GLY A 52 -8.236 2.471 9.082 1.00 0.00 O ATOM 0 H GLY A 52 -5.417 -0.404 7.609 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -8.079 0.183 8.091 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -6.845 -0.154 9.288 1.00 0.00 H new ATOM 850 N ASP A 53 -5.983 2.518 9.058 1.00 0.00 N ATOM 851 CA ASP A 53 -5.879 3.924 9.468 1.00 0.00 C ATOM 852 C ASP A 53 -6.600 4.849 8.486 1.00 0.00 C ATOM 853 O ASP A 53 -7.481 5.608 8.874 1.00 0.00 O ATOM 854 CB ASP A 53 -4.426 4.339 9.579 1.00 0.00 C ATOM 855 CG ASP A 53 -4.268 5.749 10.128 1.00 0.00 C ATOM 856 OD1 ASP A 53 -4.609 5.974 11.306 1.00 0.00 O ATOM 857 OD2 ASP A 53 -3.769 6.647 9.412 1.00 0.00 O ATOM 0 H ASP A 53 -5.084 2.059 8.909 1.00 0.00 H new ATOM 0 HA ASP A 53 -6.358 4.015 10.443 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -3.899 3.638 10.227 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -3.957 4.279 8.597 1.00 0.00 H new ATOM 862 N MET A 54 -6.252 4.746 7.214 1.00 0.00 N ATOM 863 CA MET A 54 -6.879 5.578 6.166 1.00 0.00 C ATOM 864 C MET A 54 -8.350 5.278 5.966 1.00 0.00 C ATOM 865 O MET A 54 -9.138 6.179 5.664 1.00 0.00 O ATOM 866 CB MET A 54 -6.091 5.581 4.837 1.00 0.00 C ATOM 867 CG MET A 54 -5.452 4.281 4.442 1.00 0.00 C ATOM 868 SD MET A 54 -3.738 4.528 3.889 1.00 0.00 S ATOM 869 CE MET A 54 -3.043 5.446 5.279 1.00 0.00 C ATOM 0 H MET A 54 -5.542 4.100 6.869 1.00 0.00 H new ATOM 0 HA MET A 54 -6.829 6.598 6.546 1.00 0.00 H new ATOM 0 HB2 MET A 54 -6.767 5.887 4.039 1.00 0.00 H new ATOM 0 HB3 MET A 54 -5.311 6.340 4.903 1.00 0.00 H new ATOM 0 HG2 MET A 54 -5.468 3.594 5.288 1.00 0.00 H new ATOM 0 HG3 MET A 54 -6.031 3.817 3.643 1.00 0.00 H new ATOM 0 HE1 MET A 54 -1.955 5.408 5.232 1.00 0.00 H new ATOM 0 HE2 MET A 54 -3.372 6.484 5.231 1.00 0.00 H new ATOM 0 HE3 MET A 54 -3.382 5.001 6.215 1.00 0.00 H new ATOM 879 N TYR A 55 -8.722 4.043 6.186 1.00 0.00 N ATOM 880 CA TYR A 55 -10.097 3.606 6.102 1.00 0.00 C ATOM 881 C TYR A 55 -10.909 4.307 7.209 1.00 0.00 C ATOM 882 O TYR A 55 -12.022 4.727 7.004 1.00 0.00 O ATOM 883 CB TYR A 55 -10.110 2.082 6.295 1.00 0.00 C ATOM 884 CG TYR A 55 -11.442 1.391 6.219 1.00 0.00 C ATOM 885 CD1 TYR A 55 -11.953 0.966 5.007 1.00 0.00 C ATOM 886 CD2 TYR A 55 -12.163 1.115 7.369 1.00 0.00 C ATOM 887 CE1 TYR A 55 -13.146 0.286 4.942 1.00 0.00 C ATOM 888 CE2 TYR A 55 -13.365 0.442 7.315 1.00 0.00 C ATOM 889 CZ TYR A 55 -13.852 0.026 6.096 1.00 0.00 C ATOM 890 OH TYR A 55 -15.042 -0.673 6.031 1.00 0.00 O ATOM 0 H TYR A 55 -8.069 3.299 6.433 1.00 0.00 H new ATOM 0 HA TYR A 55 -10.541 3.857 5.139 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -9.457 1.641 5.542 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -9.670 1.861 7.267 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -11.407 1.171 4.098 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -11.776 1.433 8.326 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -13.529 -0.044 3.988 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -13.919 0.243 8.220 1.00 0.00 H new ATOM 0 HH TYR A 55 -15.290 -0.980 6.928 1.00 0.00 H new ATOM 900 N GLU A 56 -10.318 4.456 8.371 1.00 0.00 N ATOM 901 CA GLU A 56 -10.989 5.119 9.480 1.00 0.00 C ATOM 902 C GLU A 56 -10.891 6.641 9.383 1.00 0.00 C ATOM 903 O GLU A 56 -11.729 7.358 9.919 1.00 0.00 O ATOM 904 CB GLU A 56 -10.435 4.631 10.809 1.00 0.00 C ATOM 905 CG GLU A 56 -10.772 3.186 11.103 1.00 0.00 C ATOM 906 CD GLU A 56 -10.136 2.686 12.372 1.00 0.00 C ATOM 907 OE1 GLU A 56 -10.354 3.300 13.442 1.00 0.00 O ATOM 908 OE2 GLU A 56 -9.438 1.638 12.333 1.00 0.00 O ATOM 0 H GLU A 56 -9.374 4.130 8.580 1.00 0.00 H new ATOM 0 HA GLU A 56 -12.046 4.858 9.422 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -9.352 4.752 10.809 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -10.826 5.258 11.610 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -11.854 3.078 11.177 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -10.446 2.565 10.269 1.00 0.00 H new ATOM 915 N SER A 57 -9.901 7.110 8.680 1.00 0.00 N ATOM 916 CA SER A 57 -9.636 8.529 8.535 1.00 0.00 C ATOM 917 C SER A 57 -10.559 9.172 7.472 1.00 0.00 C ATOM 918 O SER A 57 -11.093 10.257 7.682 1.00 0.00 O ATOM 919 CB SER A 57 -8.135 8.726 8.180 1.00 0.00 C ATOM 920 OG SER A 57 -7.727 10.092 8.180 1.00 0.00 O ATOM 0 H SER A 57 -9.240 6.516 8.180 1.00 0.00 H new ATOM 0 HA SER A 57 -9.851 9.033 9.477 1.00 0.00 H new ATOM 0 HB2 SER A 57 -7.525 8.172 8.894 1.00 0.00 H new ATOM 0 HB3 SER A 57 -7.943 8.297 7.196 1.00 0.00 H new ATOM 0 HG SER A 57 -6.776 10.149 7.952 1.00 0.00 H new ATOM 926 N ALA A 58 -10.779 8.482 6.369 1.00 0.00 N ATOM 927 CA ALA A 58 -11.550 9.028 5.250 1.00 0.00 C ATOM 928 C ALA A 58 -13.056 9.038 5.496 1.00 0.00 C ATOM 929 O ALA A 58 -13.568 8.333 6.375 1.00 0.00 O ATOM 930 CB ALA A 58 -11.269 8.240 4.021 1.00 0.00 C ATOM 0 H ALA A 58 -10.435 7.534 6.216 1.00 0.00 H new ATOM 0 HA ALA A 58 -11.236 10.065 5.136 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -11.843 8.647 3.189 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -10.205 8.295 3.789 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -11.552 7.200 4.183 1.00 0.00 H new ATOM 936 N ASN A 59 -13.758 9.848 4.726 1.00 0.00 N ATOM 937 CA ASN A 59 -15.201 9.955 4.813 1.00 0.00 C ATOM 938 C ASN A 59 -15.889 9.278 3.641 1.00 0.00 C ATOM 939 O ASN A 59 -17.110 9.382 3.476 1.00 0.00 O ATOM 940 CB ASN A 59 -15.649 11.404 4.912 1.00 0.00 C ATOM 941 CG ASN A 59 -14.930 12.163 6.003 1.00 0.00 C ATOM 942 OD1 ASN A 59 -13.941 12.860 5.762 1.00 0.00 O ATOM 943 ND2 ASN A 59 -15.362 11.985 7.203 1.00 0.00 N ATOM 0 H ASN A 59 -13.340 10.453 4.019 1.00 0.00 H new ATOM 0 HA ASN A 59 -15.496 9.438 5.726 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -15.477 11.899 3.956 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -16.722 11.436 5.099 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -14.883 12.427 7.988 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -16.183 11.403 7.368 1.00 0.00 H new ATOM 950 N SER A 60 -15.126 8.596 2.844 1.00 0.00 N ATOM 951 CA SER A 60 -15.644 7.791 1.780 1.00 0.00 C ATOM 952 C SER A 60 -14.609 6.799 1.425 1.00 0.00 C ATOM 953 O SER A 60 -13.420 6.999 1.726 1.00 0.00 O ATOM 954 CB SER A 60 -16.021 8.620 0.554 1.00 0.00 C ATOM 955 OG SER A 60 -14.927 9.364 0.072 1.00 0.00 O ATOM 0 H SER A 60 -14.109 8.582 2.915 1.00 0.00 H new ATOM 0 HA SER A 60 -16.560 7.304 2.116 1.00 0.00 H new ATOM 0 HB2 SER A 60 -16.387 7.960 -0.233 1.00 0.00 H new ATOM 0 HB3 SER A 60 -16.837 9.296 0.809 1.00 0.00 H new ATOM 0 HG SER A 60 -15.204 9.881 -0.713 1.00 0.00 H new ATOM 961 N ARG A 61 -15.013 5.715 0.816 1.00 0.00 N ATOM 962 CA ARG A 61 -14.036 4.732 0.412 1.00 0.00 C ATOM 963 C ARG A 61 -13.252 5.252 -0.760 1.00 0.00 C ATOM 964 O ARG A 61 -12.131 4.868 -0.981 1.00 0.00 O ATOM 965 CB ARG A 61 -14.606 3.330 0.130 1.00 0.00 C ATOM 966 CG ARG A 61 -15.438 3.158 -1.128 1.00 0.00 C ATOM 967 CD ARG A 61 -16.642 3.997 -1.118 1.00 0.00 C ATOM 968 NE ARG A 61 -17.499 3.692 -2.270 1.00 0.00 N ATOM 969 CZ ARG A 61 -18.063 4.596 -3.093 1.00 0.00 C ATOM 970 NH1 ARG A 61 -18.028 5.896 -2.808 1.00 0.00 N ATOM 971 NH2 ARG A 61 -18.708 4.176 -4.172 1.00 0.00 N ATOM 0 H ARG A 61 -15.983 5.491 0.593 1.00 0.00 H new ATOM 0 HA ARG A 61 -13.377 4.586 1.268 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -13.772 2.630 0.081 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -15.219 3.037 0.983 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -14.832 3.407 -1.999 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -15.727 2.112 -1.229 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -17.196 3.835 -0.194 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -16.358 5.049 -1.139 1.00 0.00 H new ATOM 0 HE ARG A 61 -17.684 2.708 -2.464 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -17.569 6.219 -1.956 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -18.460 6.569 -3.441 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -18.773 3.178 -4.371 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -19.140 4.851 -4.803 1.00 0.00 H new ATOM 985 N ASP A 62 -13.865 6.160 -1.480 1.00 0.00 N ATOM 986 CA ASP A 62 -13.240 6.809 -2.599 1.00 0.00 C ATOM 987 C ASP A 62 -12.122 7.679 -2.084 1.00 0.00 C ATOM 988 O ASP A 62 -11.007 7.594 -2.562 1.00 0.00 O ATOM 989 CB ASP A 62 -14.264 7.637 -3.337 1.00 0.00 C ATOM 990 CG ASP A 62 -13.676 8.424 -4.476 1.00 0.00 C ATOM 991 OD1 ASP A 62 -13.514 7.865 -5.576 1.00 0.00 O ATOM 992 OD2 ASP A 62 -13.401 9.611 -4.300 1.00 0.00 O ATOM 0 H ASP A 62 -14.820 6.470 -1.301 1.00 0.00 H new ATOM 0 HA ASP A 62 -12.833 6.071 -3.291 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -15.045 6.981 -3.722 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -14.741 8.323 -2.637 1.00 0.00 H new ATOM 997 N GLU A 63 -12.420 8.466 -1.046 1.00 0.00 N ATOM 998 CA GLU A 63 -11.422 9.283 -0.394 1.00 0.00 C ATOM 999 C GLU A 63 -10.302 8.437 0.185 1.00 0.00 C ATOM 1000 O GLU A 63 -9.130 8.739 -0.045 1.00 0.00 O ATOM 1001 CB GLU A 63 -12.042 10.185 0.678 1.00 0.00 C ATOM 1002 CG GLU A 63 -11.027 10.864 1.581 1.00 0.00 C ATOM 1003 CD GLU A 63 -11.622 11.909 2.455 1.00 0.00 C ATOM 1004 OE1 GLU A 63 -12.391 11.577 3.327 1.00 0.00 O ATOM 1005 OE2 GLU A 63 -11.319 13.105 2.271 1.00 0.00 O ATOM 0 H GLU A 63 -13.355 8.547 -0.645 1.00 0.00 H new ATOM 0 HA GLU A 63 -10.989 9.930 -1.157 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -12.646 10.949 0.189 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -12.717 9.590 1.292 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -10.545 10.111 2.204 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -10.248 11.315 0.966 1.00 0.00 H new ATOM 1012 N TYR A 64 -10.658 7.356 0.889 1.00 0.00 N ATOM 1013 CA TYR A 64 -9.674 6.507 1.520 1.00 0.00 C ATOM 1014 C TYR A 64 -8.780 5.852 0.474 1.00 0.00 C ATOM 1015 O TYR A 64 -7.561 5.895 0.591 1.00 0.00 O ATOM 1016 CB TYR A 64 -10.360 5.502 2.502 1.00 0.00 C ATOM 1017 CG TYR A 64 -10.107 4.048 2.273 1.00 0.00 C ATOM 1018 CD1 TYR A 64 -9.031 3.410 2.847 1.00 0.00 C ATOM 1019 CD2 TYR A 64 -10.945 3.320 1.470 1.00 0.00 C ATOM 1020 CE1 TYR A 64 -8.807 2.084 2.621 1.00 0.00 C ATOM 1021 CE2 TYR A 64 -10.729 2.000 1.230 1.00 0.00 C ATOM 1022 CZ TYR A 64 -9.657 1.384 1.808 1.00 0.00 C ATOM 1023 OH TYR A 64 -9.426 0.078 1.573 1.00 0.00 O ATOM 0 H TYR A 64 -11.624 7.059 1.029 1.00 0.00 H new ATOM 0 HA TYR A 64 -9.009 7.111 2.137 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -10.039 5.746 3.515 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -11.436 5.669 2.460 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -8.357 3.965 3.483 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -11.797 3.806 1.017 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -7.964 1.589 3.081 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -11.398 1.445 0.589 1.00 0.00 H new ATOM 0 HH TYR A 64 -8.895 -0.297 2.306 1.00 0.00 H new ATOM 1033 N TYR A 65 -9.401 5.316 -0.572 1.00 0.00 N ATOM 1034 CA TYR A 65 -8.694 4.701 -1.672 1.00 0.00 C ATOM 1035 C TYR A 65 -7.808 5.716 -2.375 1.00 0.00 C ATOM 1036 O TYR A 65 -6.646 5.451 -2.614 1.00 0.00 O ATOM 1037 CB TYR A 65 -9.708 4.003 -2.632 1.00 0.00 C ATOM 1038 CG TYR A 65 -9.223 3.624 -4.024 1.00 0.00 C ATOM 1039 CD1 TYR A 65 -7.950 3.117 -4.265 1.00 0.00 C ATOM 1040 CD2 TYR A 65 -10.070 3.782 -5.102 1.00 0.00 C ATOM 1041 CE1 TYR A 65 -7.548 2.787 -5.539 1.00 0.00 C ATOM 1042 CE2 TYR A 65 -9.680 3.455 -6.372 1.00 0.00 C ATOM 1043 CZ TYR A 65 -8.415 2.958 -6.591 1.00 0.00 C ATOM 1044 OH TYR A 65 -8.019 2.626 -7.864 1.00 0.00 O ATOM 0 H TYR A 65 -10.416 5.300 -0.674 1.00 0.00 H new ATOM 0 HA TYR A 65 -8.028 3.926 -1.293 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -10.062 3.096 -2.142 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -10.569 4.661 -2.745 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -7.267 2.980 -3.440 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -11.064 4.173 -4.939 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -6.556 2.396 -5.711 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -10.362 3.586 -7.199 1.00 0.00 H new ATOM 0 HH TYR A 65 -8.799 2.343 -8.386 1.00 0.00 H new ATOM 1054 N HIS A 66 -8.335 6.895 -2.624 1.00 0.00 N ATOM 1055 CA HIS A 66 -7.609 7.918 -3.343 1.00 0.00 C ATOM 1056 C HIS A 66 -6.415 8.446 -2.536 1.00 0.00 C ATOM 1057 O HIS A 66 -5.335 8.588 -3.076 1.00 0.00 O ATOM 1058 CB HIS A 66 -8.554 9.056 -3.750 1.00 0.00 C ATOM 1059 CG HIS A 66 -7.940 10.106 -4.619 1.00 0.00 C ATOM 1060 ND1 HIS A 66 -7.820 11.422 -4.258 1.00 0.00 N ATOM 1061 CD2 HIS A 66 -7.451 10.019 -5.879 1.00 0.00 C ATOM 1062 CE1 HIS A 66 -7.282 12.084 -5.280 1.00 0.00 C ATOM 1063 NE2 HIS A 66 -7.035 11.278 -6.293 1.00 0.00 N ATOM 0 H HIS A 66 -9.274 7.170 -2.335 1.00 0.00 H new ATOM 0 HA HIS A 66 -7.203 7.466 -4.248 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -9.410 8.628 -4.272 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -8.937 9.531 -2.847 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -7.394 9.115 -6.468 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -7.075 13.144 -5.279 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -6.624 11.527 -7.193 1.00 0.00 H new ATOM 1071 N LEU A 67 -6.597 8.687 -1.246 1.00 0.00 N ATOM 1072 CA LEU A 67 -5.510 9.238 -0.435 1.00 0.00 C ATOM 1073 C LEU A 67 -4.419 8.197 -0.197 1.00 0.00 C ATOM 1074 O LEU A 67 -3.212 8.520 -0.188 1.00 0.00 O ATOM 1075 CB LEU A 67 -6.036 9.886 0.893 1.00 0.00 C ATOM 1076 CG LEU A 67 -6.700 8.978 1.957 1.00 0.00 C ATOM 1077 CD1 LEU A 67 -5.680 8.242 2.785 1.00 0.00 C ATOM 1078 CD2 LEU A 67 -7.622 9.761 2.860 1.00 0.00 C ATOM 0 H LEU A 67 -7.467 8.516 -0.742 1.00 0.00 H new ATOM 0 HA LEU A 67 -5.053 10.050 -1.000 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -5.195 10.391 1.369 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -6.757 10.656 0.621 1.00 0.00 H new ATOM 0 HG LEU A 67 -7.290 8.244 1.408 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -6.189 7.617 3.519 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -5.069 7.615 2.136 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -5.043 8.961 3.301 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -8.069 9.090 3.593 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -7.055 10.536 3.376 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -8.409 10.223 2.264 1.00 0.00 H new ATOM 1090 N LEU A 68 -4.828 6.936 -0.054 1.00 0.00 N ATOM 1091 CA LEU A 68 -3.874 5.886 0.179 1.00 0.00 C ATOM 1092 C LEU A 68 -3.114 5.640 -1.108 1.00 0.00 C ATOM 1093 O LEU A 68 -1.911 5.352 -1.089 1.00 0.00 O ATOM 1094 CB LEU A 68 -4.567 4.613 0.761 1.00 0.00 C ATOM 1095 CG LEU A 68 -5.258 3.611 -0.159 1.00 0.00 C ATOM 1096 CD1 LEU A 68 -4.253 2.640 -0.731 1.00 0.00 C ATOM 1097 CD2 LEU A 68 -6.311 2.858 0.612 1.00 0.00 C ATOM 0 H LEU A 68 -5.801 6.634 -0.097 1.00 0.00 H new ATOM 0 HA LEU A 68 -3.152 6.181 0.941 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -3.810 4.064 1.322 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.312 4.954 1.480 1.00 0.00 H new ATOM 0 HG LEU A 68 -5.726 4.153 -0.980 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -4.762 1.932 -1.385 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -3.503 3.187 -1.302 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -3.767 2.099 0.081 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -6.803 2.143 -0.047 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -5.844 2.326 1.441 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -7.049 3.560 1.001 1.00 0.00 H new ATOM 1109 N ALA A 69 -3.825 5.813 -2.228 1.00 0.00 N ATOM 1110 CA ALA A 69 -3.263 5.707 -3.550 1.00 0.00 C ATOM 1111 C ALA A 69 -2.222 6.778 -3.756 1.00 0.00 C ATOM 1112 O ALA A 69 -1.175 6.529 -4.312 1.00 0.00 O ATOM 1113 CB ALA A 69 -4.351 5.837 -4.582 1.00 0.00 C ATOM 0 H ALA A 69 -4.821 6.033 -2.225 1.00 0.00 H new ATOM 0 HA ALA A 69 -2.789 4.731 -3.657 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -3.918 5.756 -5.579 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -5.085 5.044 -4.439 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -4.839 6.806 -4.476 1.00 0.00 H new ATOM 1119 N GLU A 70 -2.502 7.947 -3.259 1.00 0.00 N ATOM 1120 CA GLU A 70 -1.599 9.072 -3.368 1.00 0.00 C ATOM 1121 C GLU A 70 -0.290 8.799 -2.666 1.00 0.00 C ATOM 1122 O GLU A 70 0.801 8.972 -3.249 1.00 0.00 O ATOM 1123 CB GLU A 70 -2.255 10.306 -2.793 1.00 0.00 C ATOM 1124 CG GLU A 70 -3.295 10.894 -3.703 1.00 0.00 C ATOM 1125 CD GLU A 70 -2.665 11.622 -4.851 1.00 0.00 C ATOM 1126 OE1 GLU A 70 -2.193 12.773 -4.647 1.00 0.00 O ATOM 1127 OE2 GLU A 70 -2.602 11.081 -5.967 1.00 0.00 O ATOM 0 H GLU A 70 -3.368 8.156 -2.762 1.00 0.00 H new ATOM 0 HA GLU A 70 -1.379 9.235 -4.423 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -2.716 10.054 -1.838 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -1.491 11.056 -2.590 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -3.940 10.101 -4.082 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -3.929 11.578 -3.140 1.00 0.00 H new ATOM 1134 N LYS A 71 -0.381 8.340 -1.432 1.00 0.00 N ATOM 1135 CA LYS A 71 0.810 8.098 -0.668 1.00 0.00 C ATOM 1136 C LYS A 71 1.578 6.883 -1.213 1.00 0.00 C ATOM 1137 O LYS A 71 2.812 6.873 -1.233 1.00 0.00 O ATOM 1138 CB LYS A 71 0.502 8.018 0.857 1.00 0.00 C ATOM 1139 CG LYS A 71 -0.125 6.724 1.388 1.00 0.00 C ATOM 1140 CD LYS A 71 0.956 5.711 1.761 1.00 0.00 C ATOM 1141 CE LYS A 71 0.393 4.496 2.472 1.00 0.00 C ATOM 1142 NZ LYS A 71 1.469 3.568 2.887 1.00 0.00 N ATOM 0 H LYS A 71 -1.256 8.133 -0.951 1.00 0.00 H new ATOM 0 HA LYS A 71 1.479 8.951 -0.785 1.00 0.00 H new ATOM 0 HB2 LYS A 71 1.434 8.186 1.397 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -0.165 8.842 1.109 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -0.740 6.944 2.260 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -0.784 6.297 0.632 1.00 0.00 H new ATOM 0 HD2 LYS A 71 1.476 5.391 0.858 1.00 0.00 H new ATOM 0 HD3 LYS A 71 1.695 6.192 2.401 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -0.173 4.814 3.347 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -0.304 3.977 1.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 1.080 2.609 2.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 2.220 3.563 2.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 1.864 3.879 3.797 1.00 0.00 H new ATOM 1156 N ILE A 72 0.858 5.882 -1.705 1.00 0.00 N ATOM 1157 CA ILE A 72 1.519 4.716 -2.236 1.00 0.00 C ATOM 1158 C ILE A 72 2.220 5.050 -3.563 1.00 0.00 C ATOM 1159 O ILE A 72 3.374 4.723 -3.746 1.00 0.00 O ATOM 1160 CB ILE A 72 0.574 3.471 -2.391 1.00 0.00 C ATOM 1161 CG1 ILE A 72 1.387 2.256 -2.729 1.00 0.00 C ATOM 1162 CG2 ILE A 72 -0.490 3.663 -3.425 1.00 0.00 C ATOM 1163 CD1 ILE A 72 0.581 1.053 -3.096 1.00 0.00 C ATOM 0 H ILE A 72 -0.161 5.860 -1.744 1.00 0.00 H new ATOM 0 HA ILE A 72 2.269 4.426 -1.500 1.00 0.00 H new ATOM 0 HB ILE A 72 0.068 3.341 -1.434 1.00 0.00 H new ATOM 0 HG12 ILE A 72 2.052 2.499 -3.558 1.00 0.00 H new ATOM 0 HG13 ILE A 72 2.018 2.008 -1.876 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -1.108 2.767 -3.482 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -1.112 4.516 -3.153 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -0.026 3.846 -4.394 1.00 0.00 H new ATOM 0 HD11 ILE A 72 1.250 0.223 -3.325 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -0.065 0.779 -2.262 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -0.031 1.278 -3.970 1.00 0.00 H new ATOM 1175 N TYR A 73 1.517 5.751 -4.437 1.00 0.00 N ATOM 1176 CA TYR A 73 1.999 6.163 -5.747 1.00 0.00 C ATOM 1177 C TYR A 73 3.311 6.947 -5.625 1.00 0.00 C ATOM 1178 O TYR A 73 4.332 6.626 -6.331 1.00 0.00 O ATOM 1179 CB TYR A 73 0.909 7.031 -6.411 1.00 0.00 C ATOM 1180 CG TYR A 73 1.221 7.548 -7.786 1.00 0.00 C ATOM 1181 CD1 TYR A 73 1.930 8.714 -7.938 1.00 0.00 C ATOM 1182 CD2 TYR A 73 0.785 6.886 -8.921 1.00 0.00 C ATOM 1183 CE1 TYR A 73 2.213 9.220 -9.188 1.00 0.00 C ATOM 1184 CE2 TYR A 73 1.061 7.375 -10.181 1.00 0.00 C ATOM 1185 CZ TYR A 73 1.776 8.544 -10.310 1.00 0.00 C ATOM 1186 OH TYR A 73 2.076 9.035 -11.562 1.00 0.00 O ATOM 0 H TYR A 73 0.563 6.060 -4.249 1.00 0.00 H new ATOM 0 HA TYR A 73 2.201 5.283 -6.358 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -0.009 6.446 -6.465 1.00 0.00 H new ATOM 0 HB3 TYR A 73 0.707 7.883 -5.762 1.00 0.00 H new ATOM 0 HD1 TYR A 73 2.272 9.244 -7.062 1.00 0.00 H new ATOM 0 HD2 TYR A 73 0.219 5.972 -8.818 1.00 0.00 H new ATOM 0 HE1 TYR A 73 2.772 10.138 -9.289 1.00 0.00 H new ATOM 0 HE2 TYR A 73 0.719 6.846 -11.058 1.00 0.00 H new ATOM 0 HH TYR A 73 1.697 8.443 -12.245 1.00 0.00 H new ATOM 1196 N LYS A 74 3.307 7.959 -4.748 1.00 0.00 N ATOM 1197 CA LYS A 74 4.487 8.777 -4.544 1.00 0.00 C ATOM 1198 C LYS A 74 5.622 7.913 -3.993 1.00 0.00 C ATOM 1199 O LYS A 74 6.759 8.047 -4.418 1.00 0.00 O ATOM 1200 CB LYS A 74 4.211 9.986 -3.620 1.00 0.00 C ATOM 1201 CG LYS A 74 3.915 9.612 -2.185 1.00 0.00 C ATOM 1202 CD LYS A 74 3.686 10.815 -1.277 1.00 0.00 C ATOM 1203 CE LYS A 74 2.457 11.617 -1.673 1.00 0.00 C ATOM 1204 NZ LYS A 74 2.237 12.765 -0.771 1.00 0.00 N ATOM 0 H LYS A 74 2.503 8.221 -4.178 1.00 0.00 H new ATOM 0 HA LYS A 74 4.782 9.187 -5.510 1.00 0.00 H new ATOM 0 HB2 LYS A 74 5.075 10.650 -3.640 1.00 0.00 H new ATOM 0 HB3 LYS A 74 3.367 10.549 -4.019 1.00 0.00 H new ATOM 0 HG2 LYS A 74 3.032 8.974 -2.159 1.00 0.00 H new ATOM 0 HG3 LYS A 74 4.745 9.024 -1.793 1.00 0.00 H new ATOM 0 HD2 LYS A 74 3.577 10.474 -0.248 1.00 0.00 H new ATOM 0 HD3 LYS A 74 4.563 11.461 -1.307 1.00 0.00 H new ATOM 0 HE2 LYS A 74 2.571 11.975 -2.696 1.00 0.00 H new ATOM 0 HE3 LYS A 74 1.580 10.970 -1.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 1.390 13.287 -1.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 2.103 12.422 0.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 3.063 13.396 -0.805 1.00 0.00 H new ATOM 1218 N ILE A 75 5.280 6.992 -3.089 1.00 0.00 N ATOM 1219 CA ILE A 75 6.245 6.073 -2.523 1.00 0.00 C ATOM 1220 C ILE A 75 6.863 5.161 -3.594 1.00 0.00 C ATOM 1221 O ILE A 75 8.050 4.926 -3.566 1.00 0.00 O ATOM 1222 CB ILE A 75 5.644 5.265 -1.314 1.00 0.00 C ATOM 1223 CG1 ILE A 75 6.083 5.870 0.035 1.00 0.00 C ATOM 1224 CG2 ILE A 75 5.977 3.782 -1.375 1.00 0.00 C ATOM 1225 CD1 ILE A 75 5.712 7.324 0.243 1.00 0.00 C ATOM 0 H ILE A 75 4.331 6.870 -2.737 1.00 0.00 H new ATOM 0 HA ILE A 75 7.062 6.670 -2.119 1.00 0.00 H new ATOM 0 HB ILE A 75 4.560 5.350 -1.395 1.00 0.00 H new ATOM 0 HG12 ILE A 75 5.642 5.281 0.839 1.00 0.00 H new ATOM 0 HG13 ILE A 75 7.165 5.772 0.124 1.00 0.00 H new ATOM 0 HG21 ILE A 75 5.537 3.275 -0.516 1.00 0.00 H new ATOM 0 HG22 ILE A 75 5.574 3.356 -2.294 1.00 0.00 H new ATOM 0 HG23 ILE A 75 7.059 3.651 -1.358 1.00 0.00 H new ATOM 0 HD11 ILE A 75 6.065 7.653 1.220 1.00 0.00 H new ATOM 0 HD12 ILE A 75 6.175 7.932 -0.534 1.00 0.00 H new ATOM 0 HD13 ILE A 75 4.629 7.434 0.193 1.00 0.00 H new ATOM 1237 N GLN A 76 6.049 4.695 -4.541 1.00 0.00 N ATOM 1238 CA GLN A 76 6.519 3.831 -5.643 1.00 0.00 C ATOM 1239 C GLN A 76 7.623 4.549 -6.425 1.00 0.00 C ATOM 1240 O GLN A 76 8.718 4.019 -6.644 1.00 0.00 O ATOM 1241 CB GLN A 76 5.352 3.505 -6.577 1.00 0.00 C ATOM 1242 CG GLN A 76 4.196 2.822 -5.913 1.00 0.00 C ATOM 1243 CD GLN A 76 4.351 1.340 -5.778 1.00 0.00 C ATOM 1244 OE1 GLN A 76 5.441 0.811 -5.715 1.00 0.00 O ATOM 1245 NE2 GLN A 76 3.239 0.669 -5.665 1.00 0.00 N ATOM 0 H GLN A 76 5.050 4.899 -4.573 1.00 0.00 H new ATOM 0 HA GLN A 76 6.916 2.904 -5.229 1.00 0.00 H new ATOM 0 HB2 GLN A 76 4.998 4.430 -7.032 1.00 0.00 H new ATOM 0 HB3 GLN A 76 5.716 2.871 -7.385 1.00 0.00 H new ATOM 0 HG2 GLN A 76 4.055 3.253 -4.922 1.00 0.00 H new ATOM 0 HG3 GLN A 76 3.290 3.030 -6.482 1.00 0.00 H new ATOM 0 HE21 GLN A 76 2.343 1.153 -5.724 1.00 0.00 H new ATOM 0 HE22 GLN A 76 3.265 -0.340 -5.518 1.00 0.00 H new ATOM 1254 N LYS A 77 7.356 5.785 -6.800 1.00 0.00 N ATOM 1255 CA LYS A 77 8.381 6.557 -7.518 1.00 0.00 C ATOM 1256 C LYS A 77 9.555 6.959 -6.653 1.00 0.00 C ATOM 1257 O LYS A 77 10.700 6.900 -7.114 1.00 0.00 O ATOM 1258 CB LYS A 77 7.802 7.712 -8.320 1.00 0.00 C ATOM 1259 CG LYS A 77 6.629 8.404 -7.670 1.00 0.00 C ATOM 1260 CD LYS A 77 5.618 8.837 -8.708 1.00 0.00 C ATOM 1261 CE LYS A 77 5.221 7.697 -9.705 1.00 0.00 C ATOM 1262 NZ LYS A 77 5.035 6.363 -9.066 1.00 0.00 N ATOM 0 H LYS A 77 6.476 6.272 -6.633 1.00 0.00 H new ATOM 0 HA LYS A 77 8.797 5.867 -8.252 1.00 0.00 H new ATOM 0 HB2 LYS A 77 8.589 8.446 -8.494 1.00 0.00 H new ATOM 0 HB3 LYS A 77 7.492 7.339 -9.296 1.00 0.00 H new ATOM 0 HG2 LYS A 77 6.156 7.732 -6.953 1.00 0.00 H new ATOM 0 HG3 LYS A 77 6.978 9.272 -7.111 1.00 0.00 H new ATOM 0 HD2 LYS A 77 4.721 9.196 -8.203 1.00 0.00 H new ATOM 0 HD3 LYS A 77 6.024 9.677 -9.272 1.00 0.00 H new ATOM 0 HE2 LYS A 77 4.297 7.977 -10.210 1.00 0.00 H new ATOM 0 HE3 LYS A 77 5.991 7.616 -10.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 4.381 5.792 -9.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 5.953 5.878 -9.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 4.642 6.487 -8.111 1.00 0.00 H new ATOM 1276 N GLU A 78 9.279 7.314 -5.405 1.00 0.00 N ATOM 1277 CA GLU A 78 10.319 7.662 -4.442 1.00 0.00 C ATOM 1278 C GLU A 78 11.256 6.471 -4.274 1.00 0.00 C ATOM 1279 O GLU A 78 12.478 6.610 -4.328 1.00 0.00 O ATOM 1280 CB GLU A 78 9.680 7.976 -3.091 1.00 0.00 C ATOM 1281 CG GLU A 78 10.638 8.522 -2.039 1.00 0.00 C ATOM 1282 CD GLU A 78 11.159 9.906 -2.351 1.00 0.00 C ATOM 1283 OE1 GLU A 78 10.469 10.895 -2.019 1.00 0.00 O ATOM 1284 OE2 GLU A 78 12.269 10.041 -2.887 1.00 0.00 O ATOM 0 H GLU A 78 8.332 7.369 -5.031 1.00 0.00 H new ATOM 0 HA GLU A 78 10.871 8.531 -4.800 1.00 0.00 H new ATOM 0 HB2 GLU A 78 8.880 8.700 -3.244 1.00 0.00 H new ATOM 0 HB3 GLU A 78 9.218 7.068 -2.704 1.00 0.00 H new ATOM 0 HG2 GLU A 78 10.131 8.543 -1.075 1.00 0.00 H new ATOM 0 HG3 GLU A 78 11.482 7.840 -1.940 1.00 0.00 H new ATOM 1291 N LEU A 79 10.665 5.284 -4.128 1.00 0.00 N ATOM 1292 CA LEU A 79 11.418 4.091 -3.903 1.00 0.00 C ATOM 1293 C LEU A 79 12.290 3.766 -5.071 1.00 0.00 C ATOM 1294 O LEU A 79 13.430 3.437 -4.866 1.00 0.00 O ATOM 1295 CB LEU A 79 10.549 2.880 -3.441 1.00 0.00 C ATOM 1296 CG LEU A 79 9.597 2.195 -4.444 1.00 0.00 C ATOM 1297 CD1 LEU A 79 10.314 1.184 -5.324 1.00 0.00 C ATOM 1298 CD2 LEU A 79 8.480 1.522 -3.728 1.00 0.00 C ATOM 0 H LEU A 79 9.655 5.143 -4.165 1.00 0.00 H new ATOM 0 HA LEU A 79 12.074 4.299 -3.058 1.00 0.00 H new ATOM 0 HB2 LEU A 79 11.229 2.116 -3.064 1.00 0.00 H new ATOM 0 HB3 LEU A 79 9.946 3.215 -2.597 1.00 0.00 H new ATOM 0 HG LEU A 79 9.203 2.981 -5.088 1.00 0.00 H new ATOM 0 HD11 LEU A 79 9.601 0.730 -6.012 1.00 0.00 H new ATOM 0 HD12 LEU A 79 11.097 1.687 -5.892 1.00 0.00 H new ATOM 0 HD13 LEU A 79 10.759 0.409 -4.700 1.00 0.00 H new ATOM 0 HD21 LEU A 79 7.819 1.045 -4.452 1.00 0.00 H new ATOM 0 HD22 LEU A 79 8.883 0.768 -3.052 1.00 0.00 H new ATOM 0 HD23 LEU A 79 7.918 2.260 -3.155 1.00 0.00 H new ATOM 1310 N GLU A 80 11.779 3.896 -6.277 1.00 0.00 N ATOM 1311 CA GLU A 80 12.573 3.590 -7.453 1.00 0.00 C ATOM 1312 C GLU A 80 13.696 4.565 -7.691 1.00 0.00 C ATOM 1313 O GLU A 80 14.819 4.153 -7.984 1.00 0.00 O ATOM 1314 CB GLU A 80 11.717 3.386 -8.689 1.00 0.00 C ATOM 1315 CG GLU A 80 11.065 2.021 -8.722 1.00 0.00 C ATOM 1316 CD GLU A 80 12.085 0.895 -8.876 1.00 0.00 C ATOM 1317 OE1 GLU A 80 12.918 0.668 -7.971 1.00 0.00 O ATOM 1318 OE2 GLU A 80 12.071 0.210 -9.933 1.00 0.00 O ATOM 0 H GLU A 80 10.827 4.208 -6.470 1.00 0.00 H new ATOM 0 HA GLU A 80 13.055 2.636 -7.239 1.00 0.00 H new ATOM 0 HB2 GLU A 80 10.945 4.155 -8.724 1.00 0.00 H new ATOM 0 HB3 GLU A 80 12.333 3.513 -9.579 1.00 0.00 H new ATOM 0 HG2 GLU A 80 10.496 1.870 -7.804 1.00 0.00 H new ATOM 0 HG3 GLU A 80 10.355 1.980 -9.548 1.00 0.00 H new ATOM 1325 N GLU A 81 13.444 5.839 -7.506 1.00 0.00 N ATOM 1326 CA GLU A 81 14.489 6.810 -7.732 1.00 0.00 C ATOM 1327 C GLU A 81 15.571 6.725 -6.659 1.00 0.00 C ATOM 1328 O GLU A 81 16.748 6.868 -6.955 1.00 0.00 O ATOM 1329 CB GLU A 81 13.941 8.228 -7.920 1.00 0.00 C ATOM 1330 CG GLU A 81 13.187 8.805 -6.746 1.00 0.00 C ATOM 1331 CD GLU A 81 12.489 10.074 -7.129 1.00 0.00 C ATOM 1332 OE1 GLU A 81 13.159 11.098 -7.366 1.00 0.00 O ATOM 1333 OE2 GLU A 81 11.254 10.079 -7.242 1.00 0.00 O ATOM 0 H GLU A 81 12.547 6.222 -7.207 1.00 0.00 H new ATOM 0 HA GLU A 81 14.967 6.556 -8.678 1.00 0.00 H new ATOM 0 HB2 GLU A 81 14.774 8.891 -8.153 1.00 0.00 H new ATOM 0 HB3 GLU A 81 13.281 8.229 -8.787 1.00 0.00 H new ATOM 0 HG2 GLU A 81 12.458 8.079 -6.385 1.00 0.00 H new ATOM 0 HG3 GLU A 81 13.878 8.999 -5.925 1.00 0.00 H new ATOM 1340 N LYS A 82 15.174 6.422 -5.426 1.00 0.00 N ATOM 1341 CA LYS A 82 16.138 6.274 -4.336 1.00 0.00 C ATOM 1342 C LYS A 82 16.911 4.954 -4.500 1.00 0.00 C ATOM 1343 O LYS A 82 18.066 4.837 -4.116 1.00 0.00 O ATOM 1344 CB LYS A 82 15.414 6.360 -2.948 1.00 0.00 C ATOM 1345 CG LYS A 82 14.566 5.137 -2.544 1.00 0.00 C ATOM 1346 CD LYS A 82 15.347 4.159 -1.662 1.00 0.00 C ATOM 1347 CE LYS A 82 15.292 2.706 -2.142 1.00 0.00 C ATOM 1348 NZ LYS A 82 13.928 2.172 -2.366 1.00 0.00 N ATOM 0 H LYS A 82 14.201 6.275 -5.157 1.00 0.00 H new ATOM 0 HA LYS A 82 16.858 7.091 -4.375 1.00 0.00 H new ATOM 0 HB2 LYS A 82 16.168 6.523 -2.178 1.00 0.00 H new ATOM 0 HB3 LYS A 82 14.768 7.238 -2.953 1.00 0.00 H new ATOM 0 HG2 LYS A 82 13.676 5.473 -2.011 1.00 0.00 H new ATOM 0 HG3 LYS A 82 14.224 4.621 -3.441 1.00 0.00 H new ATOM 0 HD2 LYS A 82 16.389 4.477 -1.619 1.00 0.00 H new ATOM 0 HD3 LYS A 82 14.956 4.210 -0.646 1.00 0.00 H new ATOM 0 HE2 LYS A 82 15.855 2.625 -3.072 1.00 0.00 H new ATOM 0 HE3 LYS A 82 15.796 2.077 -1.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 13.971 1.137 -2.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 13.320 2.425 -1.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 13.535 2.579 -3.239 1.00 0.00 H new ATOM 1362 N ARG A 83 16.245 3.980 -5.095 1.00 0.00 N ATOM 1363 CA ARG A 83 16.793 2.648 -5.297 1.00 0.00 C ATOM 1364 C ARG A 83 17.778 2.687 -6.463 1.00 0.00 C ATOM 1365 O ARG A 83 18.772 1.959 -6.483 1.00 0.00 O ATOM 1366 CB ARG A 83 15.613 1.667 -5.516 1.00 0.00 C ATOM 1367 CG ARG A 83 15.883 0.194 -5.312 1.00 0.00 C ATOM 1368 CD ARG A 83 16.440 -0.442 -6.531 1.00 0.00 C ATOM 1369 NE ARG A 83 15.476 -0.401 -7.642 1.00 0.00 N ATOM 1370 CZ ARG A 83 15.630 -1.005 -8.804 1.00 0.00 C ATOM 1371 NH1 ARG A 83 16.736 -1.712 -9.054 1.00 0.00 N ATOM 1372 NH2 ARG A 83 14.663 -0.933 -9.705 1.00 0.00 N ATOM 0 H ARG A 83 15.298 4.092 -5.456 1.00 0.00 H new ATOM 0 HA ARG A 83 17.352 2.298 -4.429 1.00 0.00 H new ATOM 0 HB2 ARG A 83 14.805 1.957 -4.844 1.00 0.00 H new ATOM 0 HB3 ARG A 83 15.246 1.804 -6.533 1.00 0.00 H new ATOM 0 HG2 ARG A 83 16.580 0.064 -4.484 1.00 0.00 H new ATOM 0 HG3 ARG A 83 14.958 -0.309 -5.031 1.00 0.00 H new ATOM 0 HD2 ARG A 83 17.358 0.069 -6.824 1.00 0.00 H new ATOM 0 HD3 ARG A 83 16.706 -1.477 -6.315 1.00 0.00 H new ATOM 0 HE ARG A 83 14.621 0.137 -7.502 1.00 0.00 H new ATOM 0 HH11 ARG A 83 17.465 -1.786 -8.345 1.00 0.00 H new ATOM 0 HH12 ARG A 83 16.851 -2.178 -9.954 1.00 0.00 H new ATOM 0 HH21 ARG A 83 13.810 -0.414 -9.497 1.00 0.00 H new ATOM 0 HH22 ARG A 83 14.771 -1.396 -10.607 1.00 0.00 H new ATOM 1386 N ARG A 84 17.500 3.554 -7.419 1.00 0.00 N ATOM 1387 CA ARG A 84 18.405 3.788 -8.515 1.00 0.00 C ATOM 1388 C ARG A 84 19.581 4.626 -8.029 1.00 0.00 C ATOM 1389 O ARG A 84 20.726 4.152 -8.068 1.00 0.00 O ATOM 1390 CB ARG A 84 17.661 4.504 -9.663 1.00 0.00 C ATOM 1391 CG ARG A 84 18.540 5.020 -10.804 1.00 0.00 C ATOM 1392 CD ARG A 84 19.347 3.925 -11.480 1.00 0.00 C ATOM 1393 NE ARG A 84 20.173 4.474 -12.565 1.00 0.00 N ATOM 1394 CZ ARG A 84 20.971 3.766 -13.379 1.00 0.00 C ATOM 1395 NH1 ARG A 84 21.165 2.457 -13.185 1.00 0.00 N ATOM 1396 NH2 ARG A 84 21.602 4.385 -14.365 1.00 0.00 N ATOM 0 H ARG A 84 16.645 4.109 -7.453 1.00 0.00 H new ATOM 0 HA ARG A 84 18.783 2.837 -8.891 1.00 0.00 H new ATOM 0 HB2 ARG A 84 16.925 3.816 -10.079 1.00 0.00 H new ATOM 0 HB3 ARG A 84 17.110 5.346 -9.244 1.00 0.00 H new ATOM 0 HG2 ARG A 84 17.910 5.509 -11.547 1.00 0.00 H new ATOM 0 HG3 ARG A 84 19.221 5.777 -10.415 1.00 0.00 H new ATOM 0 HD2 ARG A 84 19.985 3.432 -10.746 1.00 0.00 H new ATOM 0 HD3 ARG A 84 18.674 3.166 -11.879 1.00 0.00 H new ATOM 0 HE ARG A 84 20.136 5.483 -12.712 1.00 0.00 H new ATOM 0 HH11 ARG A 84 20.703 1.982 -12.409 1.00 0.00 H new ATOM 0 HH12 ARG A 84 21.775 1.933 -13.813 1.00 0.00 H new ATOM 0 HH21 ARG A 84 21.479 5.389 -14.499 1.00 0.00 H new ATOM 0 HH22 ARG A 84 22.211 3.858 -14.991 1.00 0.00 H new ATOM 1410 N SER A 85 19.269 5.835 -7.515 1.00 0.00 N ATOM 1411 CA SER A 85 20.236 6.807 -6.980 1.00 0.00 C ATOM 1412 C SER A 85 19.588 8.196 -7.017 1.00 0.00 C ATOM 1413 O SER A 85 19.295 8.706 -8.107 1.00 0.00 O ATOM 1414 CB SER A 85 21.525 6.865 -7.846 1.00 0.00 C ATOM 1415 OG SER A 85 22.551 7.650 -7.244 1.00 0.00 O ATOM 0 H SER A 85 18.306 6.168 -7.461 1.00 0.00 H new ATOM 0 HA SER A 85 20.504 6.504 -5.968 1.00 0.00 H new ATOM 0 HB2 SER A 85 21.895 5.853 -8.010 1.00 0.00 H new ATOM 0 HB3 SER A 85 21.283 7.278 -8.825 1.00 0.00 H new ATOM 0 HG SER A 85 23.341 7.656 -7.824 1.00 0.00 H new ATOM 1421 N ARG A 86 19.290 8.778 -5.866 1.00 0.00 N ATOM 1422 CA ARG A 86 18.828 10.160 -5.857 1.00 0.00 C ATOM 1423 C ARG A 86 19.708 11.020 -4.950 1.00 0.00 C ATOM 1424 O ARG A 86 19.704 12.246 -5.051 1.00 0.00 O ATOM 1425 CB ARG A 86 17.333 10.337 -5.509 1.00 0.00 C ATOM 1426 CG ARG A 86 16.948 10.043 -4.071 1.00 0.00 C ATOM 1427 CD ARG A 86 15.562 10.598 -3.760 1.00 0.00 C ATOM 1428 NE ARG A 86 15.522 12.067 -3.955 1.00 0.00 N ATOM 1429 CZ ARG A 86 14.412 12.810 -4.082 1.00 0.00 C ATOM 1430 NH1 ARG A 86 13.217 12.276 -3.906 1.00 0.00 N ATOM 1431 NH2 ARG A 86 14.514 14.110 -4.354 1.00 0.00 N ATOM 0 H ARG A 86 19.356 8.333 -4.951 1.00 0.00 H new ATOM 0 HA ARG A 86 18.923 10.504 -6.887 1.00 0.00 H new ATOM 0 HB2 ARG A 86 17.045 11.363 -5.739 1.00 0.00 H new ATOM 0 HB3 ARG A 86 16.749 9.688 -6.161 1.00 0.00 H new ATOM 0 HG2 ARG A 86 16.961 8.967 -3.898 1.00 0.00 H new ATOM 0 HG3 ARG A 86 17.682 10.483 -3.396 1.00 0.00 H new ATOM 0 HD2 ARG A 86 14.823 10.122 -4.404 1.00 0.00 H new ATOM 0 HD3 ARG A 86 15.292 10.357 -2.732 1.00 0.00 H new ATOM 0 HE ARG A 86 16.416 12.556 -3.996 1.00 0.00 H new ATOM 0 HH11 ARG A 86 13.130 11.287 -3.670 1.00 0.00 H new ATOM 0 HH12 ARG A 86 12.381 12.852 -4.006 1.00 0.00 H new ATOM 0 HH21 ARG A 86 15.434 14.537 -4.465 1.00 0.00 H new ATOM 0 HH22 ARG A 86 13.673 14.678 -4.451 1.00 0.00 H new ATOM 1445 N LEU A 87 20.429 10.377 -4.040 1.00 0.00 N ATOM 1446 CA LEU A 87 21.403 11.081 -3.193 1.00 0.00 C ATOM 1447 C LEU A 87 22.747 11.160 -3.902 1.00 0.00 C ATOM 1448 O LEU A 87 22.961 10.483 -4.927 1.00 0.00 O ATOM 1449 CB LEU A 87 21.588 10.411 -1.802 1.00 0.00 C ATOM 1450 CG LEU A 87 20.532 10.690 -0.699 1.00 0.00 C ATOM 1451 CD1 LEU A 87 20.440 12.175 -0.392 1.00 0.00 C ATOM 1452 CD2 LEU A 87 19.167 10.138 -1.051 1.00 0.00 C ATOM 0 H LEU A 87 20.364 9.374 -3.865 1.00 0.00 H new ATOM 0 HA LEU A 87 21.007 12.082 -3.021 1.00 0.00 H new ATOM 0 HB2 LEU A 87 21.629 9.333 -1.956 1.00 0.00 H new ATOM 0 HB3 LEU A 87 22.560 10.715 -1.414 1.00 0.00 H new ATOM 0 HG LEU A 87 20.872 10.167 0.195 1.00 0.00 H new ATOM 0 HD11 LEU A 87 19.693 12.340 0.384 1.00 0.00 H new ATOM 0 HD12 LEU A 87 21.409 12.536 -0.046 1.00 0.00 H new ATOM 0 HD13 LEU A 87 20.153 12.716 -1.294 1.00 0.00 H new ATOM 0 HD21 LEU A 87 18.466 10.360 -0.246 1.00 0.00 H new ATOM 0 HD22 LEU A 87 18.816 10.597 -1.975 1.00 0.00 H new ATOM 0 HD23 LEU A 87 19.235 9.058 -1.185 1.00 0.00 H new TER 1464 LEU A 87 ATOM 1465 N GLY B 101 5.447 13.078 22.280 1.00 0.00 N ATOM 1466 CA GLY B 101 6.045 13.735 21.137 1.00 0.00 C ATOM 1467 C GLY B 101 6.010 12.830 19.931 1.00 0.00 C ATOM 1468 O GLY B 101 5.301 11.813 19.944 1.00 0.00 O ATOM 0 HA2 GLY B 101 5.511 14.660 20.921 1.00 0.00 H new ATOM 0 HA3 GLY B 101 7.075 14.008 21.365 1.00 0.00 H new ATOM 1472 N SER B 102 6.752 13.153 18.919 1.00 0.00 N ATOM 1473 CA SER B 102 6.775 12.348 17.738 1.00 0.00 C ATOM 1474 C SER B 102 8.165 11.741 17.564 1.00 0.00 C ATOM 1475 O SER B 102 9.120 12.428 17.189 1.00 0.00 O ATOM 1476 CB SER B 102 6.364 13.181 16.515 1.00 0.00 C ATOM 1477 OG SER B 102 6.170 12.366 15.368 1.00 0.00 O ATOM 0 H SER B 102 7.355 13.975 18.887 1.00 0.00 H new ATOM 0 HA SER B 102 6.055 11.535 17.835 1.00 0.00 H new ATOM 0 HB2 SER B 102 5.445 13.724 16.736 1.00 0.00 H new ATOM 0 HB3 SER B 102 7.132 13.926 16.307 1.00 0.00 H new ATOM 0 HG SER B 102 6.914 12.498 14.744 1.00 0.00 H new ATOM 1483 N MET B 103 8.281 10.467 17.862 1.00 0.00 N ATOM 1484 CA MET B 103 9.565 9.781 17.773 1.00 0.00 C ATOM 1485 C MET B 103 9.564 8.779 16.632 1.00 0.00 C ATOM 1486 O MET B 103 10.615 8.417 16.099 1.00 0.00 O ATOM 1487 CB MET B 103 9.910 9.076 19.093 1.00 0.00 C ATOM 1488 CG MET B 103 10.072 10.009 20.289 1.00 0.00 C ATOM 1489 SD MET B 103 11.386 11.230 20.060 1.00 0.00 S ATOM 1490 CE MET B 103 11.308 12.097 21.629 1.00 0.00 C ATOM 0 H MET B 103 7.506 9.879 18.169 1.00 0.00 H new ATOM 0 HA MET B 103 10.328 10.535 17.576 1.00 0.00 H new ATOM 0 HB2 MET B 103 9.127 8.351 19.318 1.00 0.00 H new ATOM 0 HB3 MET B 103 10.835 8.515 18.959 1.00 0.00 H new ATOM 0 HG2 MET B 103 9.130 10.527 20.469 1.00 0.00 H new ATOM 0 HG3 MET B 103 10.285 9.417 21.179 1.00 0.00 H new ATOM 0 HE1 MET B 103 12.060 12.886 21.647 1.00 0.00 H new ATOM 0 HE2 MET B 103 10.318 12.537 21.753 1.00 0.00 H new ATOM 0 HE3 MET B 103 11.498 11.396 22.442 1.00 0.00 H new ATOM 1500 N SER B 104 8.385 8.346 16.244 1.00 0.00 N ATOM 1501 CA SER B 104 8.238 7.378 15.179 1.00 0.00 C ATOM 1502 C SER B 104 7.796 8.056 13.876 1.00 0.00 C ATOM 1503 O SER B 104 7.350 7.394 12.948 1.00 0.00 O ATOM 1504 CB SER B 104 7.218 6.308 15.590 1.00 0.00 C ATOM 1505 OG SER B 104 7.609 5.654 16.797 1.00 0.00 O ATOM 0 H SER B 104 7.504 8.653 16.656 1.00 0.00 H new ATOM 0 HA SER B 104 9.206 6.908 15.003 1.00 0.00 H new ATOM 0 HB2 SER B 104 6.239 6.768 15.724 1.00 0.00 H new ATOM 0 HB3 SER B 104 7.118 5.573 14.792 1.00 0.00 H new ATOM 0 HG SER B 104 6.940 4.979 17.035 1.00 0.00 H new ATOM 1511 N HIS B 105 7.920 9.369 13.805 1.00 0.00 N ATOM 1512 CA HIS B 105 7.525 10.088 12.605 1.00 0.00 C ATOM 1513 C HIS B 105 8.214 11.440 12.572 1.00 0.00 C ATOM 1514 O HIS B 105 8.168 12.189 13.556 1.00 0.00 O ATOM 1515 CB HIS B 105 5.986 10.269 12.569 1.00 0.00 C ATOM 1516 CG HIS B 105 5.441 10.788 11.260 1.00 0.00 C ATOM 1517 ND1 HIS B 105 4.834 9.989 10.317 1.00 0.00 N ATOM 1518 CD2 HIS B 105 5.401 12.049 10.758 1.00 0.00 C ATOM 1519 CE1 HIS B 105 4.455 10.761 9.298 1.00 0.00 C ATOM 1520 NE2 HIS B 105 4.776 12.028 9.515 1.00 0.00 N ATOM 0 H HIS B 105 8.287 9.955 14.555 1.00 0.00 H new ATOM 0 HA HIS B 105 7.825 9.513 11.729 1.00 0.00 H new ATOM 0 HB2 HIS B 105 5.516 9.310 12.788 1.00 0.00 H new ATOM 0 HB3 HIS B 105 5.696 10.955 13.365 1.00 0.00 H new ATOM 0 HD2 HIS B 105 5.792 12.929 11.246 1.00 0.00 H new ATOM 0 HE1 HIS B 105 3.953 10.401 8.412 1.00 0.00 H new ATOM 0 HE2 HIS B 105 4.601 12.822 8.899 1.00 0.00 H new ATOM 1528 N TYR B 106 8.833 11.754 11.456 1.00 0.00 N ATOM 1529 CA TYR B 106 9.496 13.026 11.265 1.00 0.00 C ATOM 1530 C TYR B 106 9.560 13.389 9.800 1.00 0.00 C ATOM 1531 O TYR B 106 8.833 12.819 9.013 1.00 0.00 O ATOM 1532 CB TYR B 106 10.853 13.148 12.019 1.00 0.00 C ATOM 1533 CG TYR B 106 11.911 12.094 11.740 1.00 0.00 C ATOM 1534 CD1 TYR B 106 12.825 12.251 10.709 1.00 0.00 C ATOM 1535 CD2 TYR B 106 12.023 10.967 12.548 1.00 0.00 C ATOM 1536 CE1 TYR B 106 13.811 11.313 10.483 1.00 0.00 C ATOM 1537 CE2 TYR B 106 13.015 10.029 12.332 1.00 0.00 C ATOM 1538 CZ TYR B 106 13.906 10.208 11.298 1.00 0.00 C ATOM 1539 OH TYR B 106 14.905 9.283 11.077 1.00 0.00 O ATOM 0 H TYR B 106 8.891 11.131 10.650 1.00 0.00 H new ATOM 0 HA TYR B 106 8.878 13.786 11.744 1.00 0.00 H new ATOM 0 HB2 TYR B 106 11.281 14.123 11.785 1.00 0.00 H new ATOM 0 HB3 TYR B 106 10.645 13.140 13.089 1.00 0.00 H new ATOM 0 HD1 TYR B 106 12.764 13.122 10.073 1.00 0.00 H new ATOM 0 HD2 TYR B 106 11.323 10.823 13.358 1.00 0.00 H new ATOM 0 HE1 TYR B 106 14.507 11.446 9.668 1.00 0.00 H new ATOM 0 HE2 TYR B 106 13.091 9.161 12.970 1.00 0.00 H new ATOM 0 HH TYR B 106 14.836 8.563 11.738 1.00 0.00 H new ATOM 1549 N GLY B 107 10.379 14.348 9.452 1.00 0.00 N ATOM 1550 CA GLY B 107 10.439 14.849 8.093 1.00 0.00 C ATOM 1551 C GLY B 107 10.892 13.820 7.084 1.00 0.00 C ATOM 1552 O GLY B 107 12.096 13.614 6.898 1.00 0.00 O ATOM 0 H GLY B 107 11.023 14.806 10.097 1.00 0.00 H new ATOM 0 HA2 GLY B 107 9.453 15.216 7.807 1.00 0.00 H new ATOM 0 HA3 GLY B 107 11.118 15.701 8.059 1.00 0.00 H new ATOM 1556 N ASN B 108 9.918 13.122 6.493 1.00 0.00 N ATOM 1557 CA ASN B 108 10.149 12.166 5.421 1.00 0.00 C ATOM 1558 C ASN B 108 10.968 11.010 5.961 1.00 0.00 C ATOM 1559 O ASN B 108 11.865 10.471 5.289 1.00 0.00 O ATOM 1560 CB ASN B 108 10.825 12.868 4.195 1.00 0.00 C ATOM 1561 CG ASN B 108 11.022 11.979 2.954 1.00 0.00 C ATOM 1562 OD1 ASN B 108 10.264 11.034 2.702 1.00 0.00 O ATOM 1563 ND2 ASN B 108 12.030 12.295 2.167 1.00 0.00 N ATOM 0 H ASN B 108 8.936 13.211 6.754 1.00 0.00 H new ATOM 0 HA ASN B 108 9.202 11.766 5.059 1.00 0.00 H new ATOM 0 HB2 ASN B 108 10.220 13.730 3.912 1.00 0.00 H new ATOM 0 HB3 ASN B 108 11.797 13.249 4.506 1.00 0.00 H new ATOM 0 HD21 ASN B 108 12.205 11.754 1.320 1.00 0.00 H new ATOM 0 HD22 ASN B 108 12.636 13.081 2.405 1.00 0.00 H new ATOM 1570 N GLN B 109 10.632 10.583 7.202 1.00 0.00 N ATOM 1571 CA GLN B 109 11.306 9.427 7.794 1.00 0.00 C ATOM 1572 C GLN B 109 11.049 8.186 6.906 1.00 0.00 C ATOM 1573 O GLN B 109 11.847 7.250 6.862 1.00 0.00 O ATOM 1574 CB GLN B 109 10.844 9.146 9.253 1.00 0.00 C ATOM 1575 CG GLN B 109 9.531 8.362 9.417 1.00 0.00 C ATOM 1576 CD GLN B 109 8.291 9.078 8.963 1.00 0.00 C ATOM 1577 OE1 GLN B 109 8.202 10.273 9.043 1.00 0.00 O ATOM 1578 NE2 GLN B 109 7.348 8.345 8.468 1.00 0.00 N ATOM 0 H GLN B 109 9.918 11.014 7.790 1.00 0.00 H new ATOM 0 HA GLN B 109 12.372 9.649 7.841 1.00 0.00 H new ATOM 0 HB2 GLN B 109 11.636 8.596 9.762 1.00 0.00 H new ATOM 0 HB3 GLN B 109 10.738 10.101 9.767 1.00 0.00 H new ATOM 0 HG2 GLN B 109 9.614 7.428 8.862 1.00 0.00 H new ATOM 0 HG3 GLN B 109 9.414 8.099 10.468 1.00 0.00 H new ATOM 0 HE21 GLN B 109 7.462 7.333 8.418 1.00 0.00 H new ATOM 0 HE22 GLN B 109 6.490 8.779 8.128 1.00 0.00 H new ATOM 1587 N THR B 110 9.941 8.261 6.159 1.00 0.00 N ATOM 1588 CA THR B 110 9.467 7.258 5.249 1.00 0.00 C ATOM 1589 C THR B 110 10.544 6.884 4.209 1.00 0.00 C ATOM 1590 O THR B 110 10.627 5.739 3.804 1.00 0.00 O ATOM 1591 CB THR B 110 8.248 7.837 4.515 1.00 0.00 C ATOM 1592 OG1 THR B 110 7.451 8.566 5.468 1.00 0.00 O ATOM 1593 CG2 THR B 110 7.403 6.730 3.908 1.00 0.00 C ATOM 0 H THR B 110 9.330 9.077 6.189 1.00 0.00 H new ATOM 0 HA THR B 110 9.213 6.357 5.808 1.00 0.00 H new ATOM 0 HB THR B 110 8.591 8.488 3.711 1.00 0.00 H new ATOM 0 HG1 THR B 110 6.668 8.945 5.017 1.00 0.00 H new ATOM 0 HG21 THR B 110 6.546 7.166 3.394 1.00 0.00 H new ATOM 0 HG22 THR B 110 8.003 6.163 3.196 1.00 0.00 H new ATOM 0 HG23 THR B 110 7.052 6.065 4.698 1.00 0.00 H new ATOM 1601 N LEU B 111 11.379 7.850 3.818 1.00 0.00 N ATOM 1602 CA LEU B 111 12.432 7.604 2.835 1.00 0.00 C ATOM 1603 C LEU B 111 13.400 6.539 3.336 1.00 0.00 C ATOM 1604 O LEU B 111 13.615 5.510 2.678 1.00 0.00 O ATOM 1605 CB LEU B 111 13.201 8.890 2.525 1.00 0.00 C ATOM 1606 CG LEU B 111 14.353 8.758 1.518 1.00 0.00 C ATOM 1607 CD1 LEU B 111 13.843 8.383 0.133 1.00 0.00 C ATOM 1608 CD2 LEU B 111 15.172 10.030 1.473 1.00 0.00 C ATOM 0 H LEU B 111 11.345 8.808 4.168 1.00 0.00 H new ATOM 0 HA LEU B 111 11.955 7.250 1.921 1.00 0.00 H new ATOM 0 HB2 LEU B 111 12.496 9.629 2.146 1.00 0.00 H new ATOM 0 HB3 LEU B 111 13.604 9.283 3.458 1.00 0.00 H new ATOM 0 HG LEU B 111 15.000 7.949 1.855 1.00 0.00 H new ATOM 0 HD11 LEU B 111 14.685 8.298 -0.554 1.00 0.00 H new ATOM 0 HD12 LEU B 111 13.319 7.429 0.184 1.00 0.00 H new ATOM 0 HD13 LEU B 111 13.160 9.153 -0.224 1.00 0.00 H new ATOM 0 HD21 LEU B 111 15.983 9.915 0.754 1.00 0.00 H new ATOM 0 HD22 LEU B 111 14.535 10.862 1.173 1.00 0.00 H new ATOM 0 HD23 LEU B 111 15.588 10.230 2.460 1.00 0.00 H new ATOM 1620 N GLN B 112 13.956 6.762 4.513 1.00 0.00 N ATOM 1621 CA GLN B 112 14.906 5.826 5.066 1.00 0.00 C ATOM 1622 C GLN B 112 14.206 4.589 5.604 1.00 0.00 C ATOM 1623 O GLN B 112 14.785 3.508 5.624 1.00 0.00 O ATOM 1624 CB GLN B 112 15.817 6.471 6.109 1.00 0.00 C ATOM 1625 CG GLN B 112 15.116 7.007 7.335 1.00 0.00 C ATOM 1626 CD GLN B 112 16.080 7.694 8.257 1.00 0.00 C ATOM 1627 OE1 GLN B 112 16.671 7.074 9.141 1.00 0.00 O ATOM 1628 NE2 GLN B 112 16.262 8.962 8.054 1.00 0.00 N ATOM 0 H GLN B 112 13.766 7.577 5.097 1.00 0.00 H new ATOM 0 HA GLN B 112 15.556 5.506 4.252 1.00 0.00 H new ATOM 0 HB2 GLN B 112 16.557 5.736 6.426 1.00 0.00 H new ATOM 0 HB3 GLN B 112 16.362 7.288 5.636 1.00 0.00 H new ATOM 0 HG2 GLN B 112 14.336 7.706 7.034 1.00 0.00 H new ATOM 0 HG3 GLN B 112 14.625 6.189 7.862 1.00 0.00 H new ATOM 0 HE21 GLN B 112 15.752 9.438 7.310 1.00 0.00 H new ATOM 0 HE22 GLN B 112 16.916 9.483 8.638 1.00 0.00 H new ATOM 1637 N ASP B 113 12.951 4.743 6.017 1.00 0.00 N ATOM 1638 CA ASP B 113 12.146 3.597 6.463 1.00 0.00 C ATOM 1639 C ASP B 113 11.945 2.639 5.316 1.00 0.00 C ATOM 1640 O ASP B 113 12.207 1.442 5.424 1.00 0.00 O ATOM 1641 CB ASP B 113 10.777 4.027 7.002 1.00 0.00 C ATOM 1642 CG ASP B 113 9.911 2.831 7.365 1.00 0.00 C ATOM 1643 OD1 ASP B 113 10.178 2.187 8.394 1.00 0.00 O ATOM 1644 OD2 ASP B 113 8.966 2.497 6.609 1.00 0.00 O ATOM 0 H ASP B 113 12.467 5.640 6.054 1.00 0.00 H new ATOM 0 HA ASP B 113 12.691 3.113 7.274 1.00 0.00 H new ATOM 0 HB2 ASP B 113 10.914 4.656 7.881 1.00 0.00 H new ATOM 0 HB3 ASP B 113 10.266 4.632 6.253 1.00 0.00 H new ATOM 1649 N LEU B 114 11.542 3.186 4.191 1.00 0.00 N ATOM 1650 CA LEU B 114 11.318 2.408 3.013 1.00 0.00 C ATOM 1651 C LEU B 114 12.637 1.887 2.467 1.00 0.00 C ATOM 1652 O LEU B 114 12.667 0.859 1.850 1.00 0.00 O ATOM 1653 CB LEU B 114 10.538 3.205 1.956 1.00 0.00 C ATOM 1654 CG LEU B 114 10.160 2.456 0.674 1.00 0.00 C ATOM 1655 CD1 LEU B 114 9.411 1.162 0.988 1.00 0.00 C ATOM 1656 CD2 LEU B 114 9.305 3.347 -0.187 1.00 0.00 C ATOM 0 H LEU B 114 11.363 4.184 4.076 1.00 0.00 H new ATOM 0 HA LEU B 114 10.702 1.549 3.279 1.00 0.00 H new ATOM 0 HB2 LEU B 114 9.622 3.576 2.416 1.00 0.00 H new ATOM 0 HB3 LEU B 114 11.132 4.076 1.679 1.00 0.00 H new ATOM 0 HG LEU B 114 11.075 2.192 0.144 1.00 0.00 H new ATOM 0 HD11 LEU B 114 9.157 0.654 0.058 1.00 0.00 H new ATOM 0 HD12 LEU B 114 10.043 0.514 1.595 1.00 0.00 H new ATOM 0 HD13 LEU B 114 8.498 1.394 1.536 1.00 0.00 H new ATOM 0 HD21 LEU B 114 9.033 2.818 -1.101 1.00 0.00 H new ATOM 0 HD22 LEU B 114 8.401 3.620 0.357 1.00 0.00 H new ATOM 0 HD23 LEU B 114 9.861 4.249 -0.442 1.00 0.00 H new ATOM 1668 N LEU B 115 13.728 2.602 2.712 1.00 0.00 N ATOM 1669 CA LEU B 115 15.056 2.120 2.332 1.00 0.00 C ATOM 1670 C LEU B 115 15.416 0.901 3.202 1.00 0.00 C ATOM 1671 O LEU B 115 15.945 -0.085 2.709 1.00 0.00 O ATOM 1672 CB LEU B 115 16.109 3.272 2.433 1.00 0.00 C ATOM 1673 CG LEU B 115 17.578 3.014 1.952 1.00 0.00 C ATOM 1674 CD1 LEU B 115 18.366 2.145 2.914 1.00 0.00 C ATOM 1675 CD2 LEU B 115 17.608 2.409 0.551 1.00 0.00 C ATOM 0 H LEU B 115 13.723 3.514 3.170 1.00 0.00 H new ATOM 0 HA LEU B 115 15.057 1.798 1.291 1.00 0.00 H new ATOM 0 HB2 LEU B 115 15.723 4.119 1.866 1.00 0.00 H new ATOM 0 HB3 LEU B 115 16.156 3.582 3.477 1.00 0.00 H new ATOM 0 HG LEU B 115 18.061 3.991 1.924 1.00 0.00 H new ATOM 0 HD11 LEU B 115 19.376 2.000 2.530 1.00 0.00 H new ATOM 0 HD12 LEU B 115 18.415 2.632 3.888 1.00 0.00 H new ATOM 0 HD13 LEU B 115 17.874 1.178 3.017 1.00 0.00 H new ATOM 0 HD21 LEU B 115 18.642 2.243 0.248 1.00 0.00 H new ATOM 0 HD22 LEU B 115 17.074 1.459 0.553 1.00 0.00 H new ATOM 0 HD23 LEU B 115 17.130 3.092 -0.151 1.00 0.00 H new ATOM 1687 N THR B 116 15.072 0.966 4.475 1.00 0.00 N ATOM 1688 CA THR B 116 15.303 -0.135 5.400 1.00 0.00 C ATOM 1689 C THR B 116 14.468 -1.365 4.956 1.00 0.00 C ATOM 1690 O THR B 116 14.942 -2.513 4.986 1.00 0.00 O ATOM 1691 CB THR B 116 14.924 0.296 6.850 1.00 0.00 C ATOM 1692 OG1 THR B 116 15.645 1.508 7.203 1.00 0.00 O ATOM 1693 CG2 THR B 116 15.267 -0.791 7.854 1.00 0.00 C ATOM 0 H THR B 116 14.626 1.780 4.899 1.00 0.00 H new ATOM 0 HA THR B 116 16.359 -0.404 5.390 1.00 0.00 H new ATOM 0 HB THR B 116 13.849 0.472 6.879 1.00 0.00 H new ATOM 0 HG1 THR B 116 15.198 2.283 6.802 1.00 0.00 H new ATOM 0 HG21 THR B 116 14.991 -0.461 8.856 1.00 0.00 H new ATOM 0 HG22 THR B 116 14.719 -1.700 7.607 1.00 0.00 H new ATOM 0 HG23 THR B 116 16.338 -0.993 7.820 1.00 0.00 H new ATOM 1701 N SER B 117 13.256 -1.094 4.511 1.00 0.00 N ATOM 1702 CA SER B 117 12.347 -2.099 4.003 1.00 0.00 C ATOM 1703 C SER B 117 12.894 -2.658 2.658 1.00 0.00 C ATOM 1704 O SER B 117 12.917 -3.863 2.426 1.00 0.00 O ATOM 1705 CB SER B 117 10.966 -1.434 3.819 1.00 0.00 C ATOM 1706 OG SER B 117 9.959 -2.355 3.533 1.00 0.00 O ATOM 0 H SER B 117 12.870 -0.150 4.493 1.00 0.00 H new ATOM 0 HA SER B 117 12.254 -2.936 4.695 1.00 0.00 H new ATOM 0 HB2 SER B 117 10.706 -0.888 4.726 1.00 0.00 H new ATOM 0 HB3 SER B 117 11.024 -0.703 3.013 1.00 0.00 H new ATOM 0 HG SER B 117 9.705 -2.280 2.589 1.00 0.00 H new ATOM 1712 N ASP B 118 13.380 -1.750 1.834 1.00 0.00 N ATOM 1713 CA ASP B 118 13.970 -2.013 0.507 1.00 0.00 C ATOM 1714 C ASP B 118 15.124 -3.010 0.601 1.00 0.00 C ATOM 1715 O ASP B 118 15.200 -3.966 -0.168 1.00 0.00 O ATOM 1716 CB ASP B 118 14.482 -0.675 -0.032 1.00 0.00 C ATOM 1717 CG ASP B 118 15.123 -0.707 -1.383 1.00 0.00 C ATOM 1718 OD1 ASP B 118 16.346 -0.899 -1.457 1.00 0.00 O ATOM 1719 OD2 ASP B 118 14.428 -0.398 -2.368 1.00 0.00 O ATOM 0 H ASP B 118 13.381 -0.758 2.069 1.00 0.00 H new ATOM 0 HA ASP B 118 13.220 -2.447 -0.154 1.00 0.00 H new ATOM 0 HB2 ASP B 118 13.645 0.023 -0.067 1.00 0.00 H new ATOM 0 HB3 ASP B 118 15.203 -0.273 0.680 1.00 0.00 H new ATOM 1724 N SER B 119 15.996 -2.793 1.573 1.00 0.00 N ATOM 1725 CA SER B 119 17.143 -3.652 1.807 1.00 0.00 C ATOM 1726 C SER B 119 16.729 -5.090 2.163 1.00 0.00 C ATOM 1727 O SER B 119 17.455 -6.037 1.861 1.00 0.00 O ATOM 1728 CB SER B 119 18.008 -3.052 2.908 1.00 0.00 C ATOM 1729 OG SER B 119 18.382 -1.723 2.568 1.00 0.00 O ATOM 0 H SER B 119 15.926 -2.011 2.225 1.00 0.00 H new ATOM 0 HA SER B 119 17.716 -3.711 0.882 1.00 0.00 H new ATOM 0 HB2 SER B 119 17.462 -3.054 3.851 1.00 0.00 H new ATOM 0 HB3 SER B 119 18.899 -3.662 3.054 1.00 0.00 H new ATOM 0 HG SER B 119 17.607 -1.131 2.664 1.00 0.00 H new ATOM 1735 N LEU B 120 15.550 -5.247 2.766 1.00 0.00 N ATOM 1736 CA LEU B 120 15.036 -6.546 3.151 1.00 0.00 C ATOM 1737 C LEU B 120 14.697 -7.340 1.881 1.00 0.00 C ATOM 1738 O LEU B 120 14.949 -8.546 1.799 1.00 0.00 O ATOM 1739 CB LEU B 120 13.806 -6.343 4.087 1.00 0.00 C ATOM 1740 CG LEU B 120 13.185 -7.581 4.765 1.00 0.00 C ATOM 1741 CD1 LEU B 120 12.278 -7.160 5.913 1.00 0.00 C ATOM 1742 CD2 LEU B 120 12.366 -8.404 3.790 1.00 0.00 C ATOM 0 H LEU B 120 14.930 -4.471 2.998 1.00 0.00 H new ATOM 0 HA LEU B 120 15.776 -7.122 3.707 1.00 0.00 H new ATOM 0 HB2 LEU B 120 14.099 -5.647 4.873 1.00 0.00 H new ATOM 0 HB3 LEU B 120 13.023 -5.856 3.505 1.00 0.00 H new ATOM 0 HG LEU B 120 14.012 -8.186 5.136 1.00 0.00 H new ATOM 0 HD11 LEU B 120 11.848 -8.046 6.381 1.00 0.00 H new ATOM 0 HD12 LEU B 120 12.858 -6.606 6.651 1.00 0.00 H new ATOM 0 HD13 LEU B 120 11.478 -6.527 5.531 1.00 0.00 H new ATOM 0 HD21 LEU B 120 11.945 -9.267 4.306 1.00 0.00 H new ATOM 0 HD22 LEU B 120 11.558 -7.793 3.387 1.00 0.00 H new ATOM 0 HD23 LEU B 120 13.005 -8.744 2.975 1.00 0.00 H new ATOM 1754 N SER B 121 14.183 -6.636 0.892 1.00 0.00 N ATOM 1755 CA SER B 121 13.829 -7.206 -0.394 1.00 0.00 C ATOM 1756 C SER B 121 15.091 -7.460 -1.255 1.00 0.00 C ATOM 1757 O SER B 121 15.019 -8.084 -2.326 1.00 0.00 O ATOM 1758 CB SER B 121 12.866 -6.265 -1.098 1.00 0.00 C ATOM 1759 OG SER B 121 11.739 -6.002 -0.268 1.00 0.00 O ATOM 0 H SER B 121 13.996 -5.636 0.960 1.00 0.00 H new ATOM 0 HA SER B 121 13.345 -8.171 -0.243 1.00 0.00 H new ATOM 0 HB2 SER B 121 13.372 -5.331 -1.343 1.00 0.00 H new ATOM 0 HB3 SER B 121 12.538 -6.706 -2.039 1.00 0.00 H new ATOM 0 HG SER B 121 11.055 -5.527 -0.785 1.00 0.00 H new ATOM 1765 N HIS B 122 16.222 -6.934 -0.781 1.00 0.00 N ATOM 1766 CA HIS B 122 17.563 -7.088 -1.371 1.00 0.00 C ATOM 1767 C HIS B 122 17.837 -6.159 -2.545 1.00 0.00 C ATOM 1768 O HIS B 122 18.950 -5.650 -2.671 1.00 0.00 O ATOM 1769 CB HIS B 122 17.943 -8.554 -1.701 1.00 0.00 C ATOM 1770 CG HIS B 122 18.073 -9.455 -0.506 1.00 0.00 C ATOM 1771 ND1 HIS B 122 19.230 -9.596 0.226 1.00 0.00 N ATOM 1772 CD2 HIS B 122 17.167 -10.284 0.069 1.00 0.00 C ATOM 1773 CE1 HIS B 122 19.004 -10.484 1.197 1.00 0.00 C ATOM 1774 NE2 HIS B 122 17.760 -10.935 1.148 1.00 0.00 N ATOM 0 H HIS B 122 16.234 -6.362 0.063 1.00 0.00 H new ATOM 0 HA HIS B 122 18.230 -6.771 -0.569 1.00 0.00 H new ATOM 0 HB2 HIS B 122 17.189 -8.968 -2.370 1.00 0.00 H new ATOM 0 HB3 HIS B 122 18.888 -8.556 -2.245 1.00 0.00 H new ATOM 0 HD2 HIS B 122 16.147 -10.418 -0.258 1.00 0.00 H new ATOM 0 HE1 HIS B 122 19.738 -10.793 1.926 1.00 0.00 H new ATOM 0 HE2 HIS B 122 17.327 -11.617 1.771 1.00 0.00 H new ATOM 1782 N SER B 123 16.864 -5.948 -3.400 1.00 0.00 N ATOM 1783 CA SER B 123 17.043 -5.052 -4.523 1.00 0.00 C ATOM 1784 C SER B 123 15.704 -4.608 -5.089 1.00 0.00 C ATOM 1785 O SER B 123 15.228 -3.513 -4.794 1.00 0.00 O ATOM 1786 CB SER B 123 17.926 -5.701 -5.630 1.00 0.00 C ATOM 1787 OG SER B 123 18.192 -4.795 -6.707 1.00 0.00 O ATOM 0 H SER B 123 15.943 -6.382 -3.342 1.00 0.00 H new ATOM 0 HA SER B 123 17.564 -4.167 -4.157 1.00 0.00 H new ATOM 0 HB2 SER B 123 18.869 -6.032 -5.194 1.00 0.00 H new ATOM 0 HB3 SER B 123 17.426 -6.588 -6.018 1.00 0.00 H new ATOM 0 HG SER B 123 17.590 -4.990 -7.455 1.00 0.00 H new ATOM 1793 N ASP B 124 15.078 -5.485 -5.851 1.00 0.00 N ATOM 1794 CA ASP B 124 13.869 -5.158 -6.583 1.00 0.00 C ATOM 1795 C ASP B 124 13.292 -6.436 -7.136 1.00 0.00 C ATOM 1796 O ASP B 124 13.850 -7.514 -6.906 1.00 0.00 O ATOM 1797 CB ASP B 124 14.189 -4.197 -7.756 1.00 0.00 C ATOM 1798 CG ASP B 124 15.097 -4.814 -8.816 1.00 0.00 C ATOM 1799 OD1 ASP B 124 16.338 -4.798 -8.665 1.00 0.00 O ATOM 1800 OD2 ASP B 124 14.587 -5.326 -9.832 1.00 0.00 O ATOM 0 H ASP B 124 15.394 -6.446 -5.980 1.00 0.00 H new ATOM 0 HA ASP B 124 13.160 -4.669 -5.915 1.00 0.00 H new ATOM 0 HB2 ASP B 124 13.256 -3.885 -8.225 1.00 0.00 H new ATOM 0 HB3 ASP B 124 14.663 -3.299 -7.361 1.00 0.00 H new ATOM 1805 N GLY B 125 12.209 -6.335 -7.871 1.00 0.00 N ATOM 1806 CA GLY B 125 11.605 -7.508 -8.432 1.00 0.00 C ATOM 1807 C GLY B 125 10.519 -7.183 -9.405 1.00 0.00 C ATOM 1808 O GLY B 125 10.777 -6.592 -10.462 1.00 0.00 O ATOM 0 H GLY B 125 11.736 -5.458 -8.090 1.00 0.00 H new ATOM 0 HA2 GLY B 125 12.370 -8.103 -8.931 1.00 0.00 H new ATOM 0 HA3 GLY B 125 11.197 -8.122 -7.629 1.00 0.00 H new ATOM 1812 N GLY B 126 9.317 -7.539 -9.054 1.00 0.00 N ATOM 1813 CA GLY B 126 8.180 -7.314 -9.894 1.00 0.00 C ATOM 1814 C GLY B 126 7.011 -8.150 -9.448 1.00 0.00 C ATOM 1815 O GLY B 126 7.187 -9.109 -8.686 1.00 0.00 O ATOM 0 H GLY B 126 9.098 -7.997 -8.169 1.00 0.00 H new ATOM 0 HA2 GLY B 126 7.908 -6.259 -9.870 1.00 0.00 H new ATOM 0 HA3 GLY B 126 8.432 -7.555 -10.927 1.00 0.00 H new ATOM 1819 N GLY B 127 5.840 -7.793 -9.902 1.00 0.00 N ATOM 1820 CA GLY B 127 4.634 -8.509 -9.548 1.00 0.00 C ATOM 1821 C GLY B 127 3.401 -7.639 -9.708 1.00 0.00 C ATOM 1822 O GLY B 127 2.445 -7.750 -8.936 1.00 0.00 O ATOM 0 H GLY B 127 5.690 -7.000 -10.526 1.00 0.00 H new ATOM 0 HA2 GLY B 127 4.539 -9.395 -10.176 1.00 0.00 H new ATOM 0 HA3 GLY B 127 4.705 -8.855 -8.517 1.00 0.00 H new ATOM 1826 N SER B 128 3.419 -6.787 -10.716 1.00 0.00 N ATOM 1827 CA SER B 128 2.333 -5.863 -10.983 1.00 0.00 C ATOM 1828 C SER B 128 1.077 -6.608 -11.461 1.00 0.00 C ATOM 1829 O SER B 128 1.168 -7.716 -12.009 1.00 0.00 O ATOM 1830 CB SER B 128 2.790 -4.860 -12.037 1.00 0.00 C ATOM 1831 OG SER B 128 3.974 -4.196 -11.609 1.00 0.00 O ATOM 0 H SER B 128 4.193 -6.716 -11.377 1.00 0.00 H new ATOM 0 HA SER B 128 2.073 -5.341 -10.062 1.00 0.00 H new ATOM 0 HB2 SER B 128 2.974 -5.373 -12.981 1.00 0.00 H new ATOM 0 HB3 SER B 128 2.002 -4.130 -12.220 1.00 0.00 H new ATOM 0 HG SER B 128 4.257 -3.557 -12.296 1.00 0.00 H new ATOM 1837 N GLY B 129 -0.080 -6.023 -11.238 1.00 0.00 N ATOM 1838 CA GLY B 129 -1.308 -6.635 -11.662 1.00 0.00 C ATOM 1839 C GLY B 129 -2.503 -5.949 -11.059 1.00 0.00 C ATOM 1840 O GLY B 129 -2.366 -4.875 -10.444 1.00 0.00 O ATOM 0 H GLY B 129 -0.190 -5.126 -10.766 1.00 0.00 H new ATOM 0 HA2 GLY B 129 -1.377 -6.599 -12.749 1.00 0.00 H new ATOM 0 HA3 GLY B 129 -1.309 -7.687 -11.377 1.00 0.00 H new ATOM 1844 N GLY B 130 -3.650 -6.555 -11.205 1.00 0.00 N ATOM 1845 CA GLY B 130 -4.866 -6.005 -10.682 1.00 0.00 C ATOM 1846 C GLY B 130 -5.684 -7.071 -9.999 1.00 0.00 C ATOM 1847 O GLY B 130 -5.333 -7.522 -8.900 1.00 0.00 O ATOM 0 H GLY B 130 -3.765 -7.445 -11.691 1.00 0.00 H new ATOM 0 HA2 GLY B 130 -4.636 -5.208 -9.975 1.00 0.00 H new ATOM 0 HA3 GLY B 130 -5.445 -5.557 -11.490 1.00 0.00 H new ATOM 1851 N GLY B 131 -6.732 -7.503 -10.646 1.00 0.00 N ATOM 1852 CA GLY B 131 -7.584 -8.524 -10.090 1.00 0.00 C ATOM 1853 C GLY B 131 -8.995 -8.036 -9.843 1.00 0.00 C ATOM 1854 O GLY B 131 -9.535 -8.217 -8.743 1.00 0.00 O ATOM 0 H GLY B 131 -7.019 -7.163 -11.564 1.00 0.00 H new ATOM 0 HA2 GLY B 131 -7.612 -9.377 -10.768 1.00 0.00 H new ATOM 0 HA3 GLY B 131 -7.156 -8.877 -9.152 1.00 0.00 H new ATOM 1858 N SER B 132 -9.588 -7.410 -10.842 1.00 0.00 N ATOM 1859 CA SER B 132 -10.953 -6.933 -10.735 1.00 0.00 C ATOM 1860 C SER B 132 -11.926 -8.129 -10.643 1.00 0.00 C ATOM 1861 O SER B 132 -11.793 -9.110 -11.383 1.00 0.00 O ATOM 1862 CB SER B 132 -11.305 -6.022 -11.928 1.00 0.00 C ATOM 1863 OG SER B 132 -10.463 -4.852 -11.975 1.00 0.00 O ATOM 0 H SER B 132 -9.143 -7.220 -11.740 1.00 0.00 H new ATOM 0 HA SER B 132 -11.049 -6.341 -9.825 1.00 0.00 H new ATOM 0 HB2 SER B 132 -11.200 -6.583 -12.857 1.00 0.00 H new ATOM 0 HB3 SER B 132 -12.349 -5.716 -11.856 1.00 0.00 H new ATOM 0 HG SER B 132 -9.957 -4.847 -12.814 1.00 0.00 H new ATOM 1869 N GLY B 133 -12.859 -8.045 -9.724 1.00 0.00 N ATOM 1870 CA GLY B 133 -13.810 -9.103 -9.500 1.00 0.00 C ATOM 1871 C GLY B 133 -15.222 -8.601 -9.675 1.00 0.00 C ATOM 1872 O GLY B 133 -15.500 -7.884 -10.622 1.00 0.00 O ATOM 0 H GLY B 133 -12.978 -7.239 -9.111 1.00 0.00 H new ATOM 0 HA2 GLY B 133 -13.621 -9.921 -10.196 1.00 0.00 H new ATOM 0 HA3 GLY B 133 -13.684 -9.504 -8.494 1.00 0.00 H new ATOM 1876 N GLY B 134 -16.098 -8.931 -8.766 1.00 0.00 N ATOM 1877 CA GLY B 134 -17.472 -8.505 -8.894 1.00 0.00 C ATOM 1878 C GLY B 134 -18.014 -7.932 -7.613 1.00 0.00 C ATOM 1879 O GLY B 134 -18.926 -8.498 -7.006 1.00 0.00 O ATOM 0 H GLY B 134 -15.893 -9.487 -7.936 1.00 0.00 H new ATOM 0 HA2 GLY B 134 -17.546 -7.757 -9.684 1.00 0.00 H new ATOM 0 HA3 GLY B 134 -18.086 -9.353 -9.199 1.00 0.00 H new ATOM 1883 N GLY B 135 -17.463 -6.821 -7.188 1.00 0.00 N ATOM 1884 CA GLY B 135 -17.921 -6.197 -5.967 1.00 0.00 C ATOM 1885 C GLY B 135 -18.043 -4.694 -6.099 1.00 0.00 C ATOM 1886 O GLY B 135 -18.126 -4.187 -7.208 1.00 0.00 O ATOM 0 H GLY B 135 -16.704 -6.333 -7.663 1.00 0.00 H new ATOM 0 HA2 GLY B 135 -18.889 -6.615 -5.689 1.00 0.00 H new ATOM 0 HA3 GLY B 135 -17.228 -6.433 -5.159 1.00 0.00 H new ATOM 1890 N SER B 136 -17.985 -4.004 -4.961 1.00 0.00 N ATOM 1891 CA SER B 136 -18.168 -2.546 -4.834 1.00 0.00 C ATOM 1892 C SER B 136 -17.381 -1.699 -5.890 1.00 0.00 C ATOM 1893 O SER B 136 -17.938 -1.320 -6.913 1.00 0.00 O ATOM 1894 CB SER B 136 -17.793 -2.142 -3.415 1.00 0.00 C ATOM 1895 OG SER B 136 -18.425 -3.004 -2.471 1.00 0.00 O ATOM 0 H SER B 136 -17.803 -4.455 -4.065 1.00 0.00 H new ATOM 0 HA SER B 136 -19.216 -2.327 -5.040 1.00 0.00 H new ATOM 0 HB2 SER B 136 -16.711 -2.187 -3.291 1.00 0.00 H new ATOM 0 HB3 SER B 136 -18.092 -1.110 -3.232 1.00 0.00 H new ATOM 0 HG SER B 136 -17.746 -3.548 -2.019 1.00 0.00 H new ATOM 1901 N LEU B 137 -16.100 -1.411 -5.634 1.00 0.00 N ATOM 1902 CA LEU B 137 -15.275 -0.662 -6.612 1.00 0.00 C ATOM 1903 C LEU B 137 -14.473 -1.662 -7.410 1.00 0.00 C ATOM 1904 O LEU B 137 -14.098 -1.435 -8.553 1.00 0.00 O ATOM 1905 CB LEU B 137 -14.290 0.281 -5.896 1.00 0.00 C ATOM 1906 CG LEU B 137 -14.866 1.363 -4.996 1.00 0.00 C ATOM 1907 CD1 LEU B 137 -13.726 2.083 -4.302 1.00 0.00 C ATOM 1908 CD2 LEU B 137 -15.705 2.348 -5.801 1.00 0.00 C ATOM 0 H LEU B 137 -15.612 -1.675 -4.778 1.00 0.00 H new ATOM 0 HA LEU B 137 -15.931 -0.069 -7.249 1.00 0.00 H new ATOM 0 HB2 LEU B 137 -13.618 -0.331 -5.294 1.00 0.00 H new ATOM 0 HB3 LEU B 137 -13.681 0.769 -6.657 1.00 0.00 H new ATOM 0 HG LEU B 137 -15.517 0.903 -4.252 1.00 0.00 H new ATOM 0 HD11 LEU B 137 -14.128 2.861 -3.654 1.00 0.00 H new ATOM 0 HD12 LEU B 137 -13.157 1.371 -3.704 1.00 0.00 H new ATOM 0 HD13 LEU B 137 -13.073 2.534 -5.049 1.00 0.00 H new ATOM 0 HD21 LEU B 137 -16.106 3.113 -5.136 1.00 0.00 H new ATOM 0 HD22 LEU B 137 -15.083 2.819 -6.562 1.00 0.00 H new ATOM 0 HD23 LEU B 137 -16.527 1.818 -6.282 1.00 0.00 H new ATOM 1920 N GLU B 138 -14.280 -2.786 -6.767 1.00 0.00 N ATOM 1921 CA GLU B 138 -13.488 -3.928 -7.207 1.00 0.00 C ATOM 1922 C GLU B 138 -14.002 -4.593 -8.506 1.00 0.00 C ATOM 1923 O GLU B 138 -13.320 -5.438 -9.058 1.00 0.00 O ATOM 1924 CB GLU B 138 -13.386 -4.931 -6.042 1.00 0.00 C ATOM 1925 CG GLU B 138 -14.742 -5.295 -5.463 1.00 0.00 C ATOM 1926 CD GLU B 138 -14.698 -6.085 -4.183 1.00 0.00 C ATOM 1927 OE1 GLU B 138 -14.396 -5.501 -3.136 1.00 0.00 O ATOM 1928 OE2 GLU B 138 -15.078 -7.264 -4.195 1.00 0.00 O ATOM 0 H GLU B 138 -14.701 -2.948 -5.852 1.00 0.00 H new ATOM 0 HA GLU B 138 -12.496 -3.564 -7.475 1.00 0.00 H new ATOM 0 HB2 GLU B 138 -12.889 -5.837 -6.390 1.00 0.00 H new ATOM 0 HB3 GLU B 138 -12.762 -4.506 -5.256 1.00 0.00 H new ATOM 0 HG2 GLU B 138 -15.303 -4.377 -5.286 1.00 0.00 H new ATOM 0 HG3 GLU B 138 -15.295 -5.868 -6.207 1.00 0.00 H new ATOM 1935 N CYS B 139 -15.216 -4.238 -8.947 1.00 0.00 N ATOM 1936 CA CYS B 139 -15.811 -4.799 -10.170 1.00 0.00 C ATOM 1937 C CYS B 139 -14.921 -4.569 -11.414 1.00 0.00 C ATOM 1938 O CYS B 139 -14.483 -5.513 -12.058 1.00 0.00 O ATOM 1939 CB CYS B 139 -17.210 -4.212 -10.372 1.00 0.00 C ATOM 1940 SG CYS B 139 -17.270 -2.406 -10.202 1.00 0.00 S ATOM 0 H CYS B 139 -15.810 -3.559 -8.471 1.00 0.00 H new ATOM 0 HA CYS B 139 -15.889 -5.879 -10.046 1.00 0.00 H new ATOM 0 HB2 CYS B 139 -17.571 -4.488 -11.363 1.00 0.00 H new ATOM 0 HB3 CYS B 139 -17.891 -4.660 -9.648 1.00 0.00 H new ATOM 0 HG CYS B 139 -17.543 -2.095 -8.970 1.00 0.00 H new ATOM 1946 N ASP B 140 -14.648 -3.334 -11.730 1.00 0.00 N ATOM 1947 CA ASP B 140 -13.769 -3.001 -12.845 1.00 0.00 C ATOM 1948 C ASP B 140 -12.907 -1.866 -12.440 1.00 0.00 C ATOM 1949 O ASP B 140 -13.330 -0.708 -12.474 1.00 0.00 O ATOM 1950 CB ASP B 140 -14.529 -2.612 -14.132 1.00 0.00 C ATOM 1951 CG ASP B 140 -15.293 -3.737 -14.787 1.00 0.00 C ATOM 1952 OD1 ASP B 140 -14.724 -4.432 -15.664 1.00 0.00 O ATOM 1953 OD2 ASP B 140 -16.488 -3.925 -14.477 1.00 0.00 O ATOM 0 H ASP B 140 -15.020 -2.525 -11.233 1.00 0.00 H new ATOM 0 HA ASP B 140 -13.189 -3.894 -13.076 1.00 0.00 H new ATOM 0 HB2 ASP B 140 -15.227 -1.809 -13.895 1.00 0.00 H new ATOM 0 HB3 ASP B 140 -13.814 -2.212 -14.851 1.00 0.00 H new ATOM 1958 N MET B 141 -11.726 -2.162 -12.008 1.00 0.00 N ATOM 1959 CA MET B 141 -10.853 -1.114 -11.566 1.00 0.00 C ATOM 1960 C MET B 141 -9.892 -0.733 -12.662 1.00 0.00 C ATOM 1961 O MET B 141 -9.710 0.434 -12.913 1.00 0.00 O ATOM 1962 CB MET B 141 -10.119 -1.499 -10.297 1.00 0.00 C ATOM 1963 CG MET B 141 -11.032 -1.950 -9.176 1.00 0.00 C ATOM 1964 SD MET B 141 -10.164 -2.235 -7.631 1.00 0.00 S ATOM 1965 CE MET B 141 -9.625 -0.571 -7.247 1.00 0.00 C ATOM 0 H MET B 141 -11.343 -3.105 -11.950 1.00 0.00 H new ATOM 0 HA MET B 141 -11.464 -0.243 -11.330 1.00 0.00 H new ATOM 0 HB2 MET B 141 -9.415 -2.300 -10.524 1.00 0.00 H new ATOM 0 HB3 MET B 141 -9.532 -0.646 -9.955 1.00 0.00 H new ATOM 0 HG2 MET B 141 -11.803 -1.196 -9.019 1.00 0.00 H new ATOM 0 HG3 MET B 141 -11.539 -2.867 -9.475 1.00 0.00 H new ATOM 0 HE1 MET B 141 -9.145 -0.561 -6.268 1.00 0.00 H new ATOM 0 HE2 MET B 141 -8.915 -0.235 -8.003 1.00 0.00 H new ATOM 0 HE3 MET B 141 -10.486 0.097 -7.236 1.00 0.00 H new ATOM 1975 N GLU B 142 -9.280 -1.754 -13.274 1.00 0.00 N ATOM 1976 CA GLU B 142 -8.339 -1.697 -14.430 1.00 0.00 C ATOM 1977 C GLU B 142 -7.564 -0.366 -14.594 1.00 0.00 C ATOM 1978 O GLU B 142 -6.438 -0.187 -14.087 1.00 0.00 O ATOM 1979 CB GLU B 142 -9.074 -2.050 -15.737 1.00 0.00 C ATOM 1980 CG GLU B 142 -9.877 -3.344 -15.678 1.00 0.00 C ATOM 1981 CD GLU B 142 -9.049 -4.534 -15.276 1.00 0.00 C ATOM 1982 OE1 GLU B 142 -8.956 -4.813 -14.080 1.00 0.00 O ATOM 1983 OE2 GLU B 142 -8.499 -5.218 -16.151 1.00 0.00 O ATOM 0 H GLU B 142 -9.431 -2.714 -12.963 1.00 0.00 H new ATOM 0 HA GLU B 142 -7.575 -2.441 -14.205 1.00 0.00 H new ATOM 0 HB2 GLU B 142 -9.746 -1.231 -15.994 1.00 0.00 H new ATOM 0 HB3 GLU B 142 -8.343 -2.127 -16.541 1.00 0.00 H new ATOM 0 HG2 GLU B 142 -10.697 -3.224 -14.970 1.00 0.00 H new ATOM 0 HG3 GLU B 142 -10.323 -3.533 -16.654 1.00 0.00 H new ATOM 1990 N SER B 143 -8.210 0.558 -15.233 1.00 0.00 N ATOM 1991 CA SER B 143 -7.647 1.834 -15.587 1.00 0.00 C ATOM 1992 C SER B 143 -7.498 2.729 -14.364 1.00 0.00 C ATOM 1993 O SER B 143 -6.431 3.290 -14.115 1.00 0.00 O ATOM 1994 CB SER B 143 -8.551 2.460 -16.636 1.00 0.00 C ATOM 1995 OG SER B 143 -9.921 2.299 -16.258 1.00 0.00 O ATOM 0 H SER B 143 -9.178 0.446 -15.535 1.00 0.00 H new ATOM 0 HA SER B 143 -6.643 1.706 -15.993 1.00 0.00 H new ATOM 0 HB2 SER B 143 -8.317 3.519 -16.745 1.00 0.00 H new ATOM 0 HB3 SER B 143 -8.375 1.993 -17.605 1.00 0.00 H new ATOM 0 HG SER B 143 -10.498 2.706 -16.938 1.00 0.00 H new ATOM 2001 N ILE B 144 -8.553 2.791 -13.579 1.00 0.00 N ATOM 2002 CA ILE B 144 -8.606 3.588 -12.376 1.00 0.00 C ATOM 2003 C ILE B 144 -7.585 3.072 -11.371 1.00 0.00 C ATOM 2004 O ILE B 144 -6.873 3.857 -10.747 1.00 0.00 O ATOM 2005 CB ILE B 144 -10.028 3.549 -11.737 1.00 0.00 C ATOM 2006 CG1 ILE B 144 -11.081 4.015 -12.755 1.00 0.00 C ATOM 2007 CG2 ILE B 144 -10.086 4.416 -10.474 1.00 0.00 C ATOM 2008 CD1 ILE B 144 -12.513 3.928 -12.257 1.00 0.00 C ATOM 0 H ILE B 144 -9.414 2.277 -13.765 1.00 0.00 H new ATOM 0 HA ILE B 144 -8.376 4.619 -12.643 1.00 0.00 H new ATOM 0 HB ILE B 144 -10.246 2.520 -11.451 1.00 0.00 H new ATOM 0 HG12 ILE B 144 -10.868 5.047 -13.034 1.00 0.00 H new ATOM 0 HG13 ILE B 144 -10.986 3.414 -13.659 1.00 0.00 H new ATOM 0 HG21 ILE B 144 -11.088 4.372 -10.048 1.00 0.00 H new ATOM 0 HG22 ILE B 144 -9.365 4.046 -9.745 1.00 0.00 H new ATOM 0 HG23 ILE B 144 -9.846 5.448 -10.730 1.00 0.00 H new ATOM 0 HD11 ILE B 144 -13.191 4.276 -13.036 1.00 0.00 H new ATOM 0 HD12 ILE B 144 -12.749 2.894 -12.006 1.00 0.00 H new ATOM 0 HD13 ILE B 144 -12.629 4.552 -11.371 1.00 0.00 H new ATOM 2020 N ILE B 145 -7.480 1.744 -11.246 1.00 0.00 N ATOM 2021 CA ILE B 145 -6.539 1.183 -10.284 1.00 0.00 C ATOM 2022 C ILE B 145 -5.105 1.494 -10.690 1.00 0.00 C ATOM 2023 O ILE B 145 -4.284 1.863 -9.851 1.00 0.00 O ATOM 2024 CB ILE B 145 -6.723 -0.354 -9.991 1.00 0.00 C ATOM 2025 CG1 ILE B 145 -5.791 -0.816 -8.877 1.00 0.00 C ATOM 2026 CG2 ILE B 145 -6.511 -1.222 -11.214 1.00 0.00 C ATOM 2027 CD1 ILE B 145 -6.092 -0.223 -7.521 1.00 0.00 C ATOM 0 H ILE B 145 -8.017 1.062 -11.781 1.00 0.00 H new ATOM 0 HA ILE B 145 -6.768 1.676 -9.339 1.00 0.00 H new ATOM 0 HB ILE B 145 -7.760 -0.473 -9.677 1.00 0.00 H new ATOM 0 HG12 ILE B 145 -5.843 -1.902 -8.804 1.00 0.00 H new ATOM 0 HG13 ILE B 145 -4.766 -0.564 -9.150 1.00 0.00 H new ATOM 0 HG21 ILE B 145 -6.652 -2.269 -10.946 1.00 0.00 H new ATOM 0 HG22 ILE B 145 -7.229 -0.945 -11.986 1.00 0.00 H new ATOM 0 HG23 ILE B 145 -5.499 -1.077 -11.592 1.00 0.00 H new ATOM 0 HD11 ILE B 145 -5.380 -0.607 -6.790 1.00 0.00 H new ATOM 0 HD12 ILE B 145 -6.010 0.863 -7.572 1.00 0.00 H new ATOM 0 HD13 ILE B 145 -7.104 -0.496 -7.221 1.00 0.00 H new ATOM 2039 N ARG B 146 -4.807 1.390 -11.970 1.00 0.00 N ATOM 2040 CA ARG B 146 -3.477 1.702 -12.414 1.00 0.00 C ATOM 2041 C ARG B 146 -3.191 3.194 -12.215 1.00 0.00 C ATOM 2042 O ARG B 146 -2.305 3.553 -11.456 1.00 0.00 O ATOM 2043 CB ARG B 146 -3.251 1.270 -13.864 1.00 0.00 C ATOM 2044 CG ARG B 146 -1.861 1.586 -14.361 1.00 0.00 C ATOM 2045 CD ARG B 146 -1.621 1.117 -15.781 1.00 0.00 C ATOM 2046 NE ARG B 146 -0.347 1.638 -16.264 1.00 0.00 N ATOM 2047 CZ ARG B 146 0.393 1.156 -17.252 1.00 0.00 C ATOM 2048 NH1 ARG B 146 -0.009 0.101 -17.951 1.00 0.00 N ATOM 2049 NH2 ARG B 146 1.543 1.758 -17.547 1.00 0.00 N ATOM 0 H ARG B 146 -5.456 1.098 -12.701 1.00 0.00 H new ATOM 0 HA ARG B 146 -2.771 1.136 -11.807 1.00 0.00 H new ATOM 0 HB2 ARG B 146 -3.427 0.198 -13.950 1.00 0.00 H new ATOM 0 HB3 ARG B 146 -3.982 1.765 -14.504 1.00 0.00 H new ATOM 0 HG2 ARG B 146 -1.697 2.662 -14.307 1.00 0.00 H new ATOM 0 HG3 ARG B 146 -1.130 1.119 -13.701 1.00 0.00 H new ATOM 0 HD2 ARG B 146 -1.617 0.028 -15.818 1.00 0.00 H new ATOM 0 HD3 ARG B 146 -2.431 1.455 -16.427 1.00 0.00 H new ATOM 0 HE ARG B 146 0.014 2.465 -15.789 1.00 0.00 H new ATOM 0 HH11 ARG B 146 -0.897 -0.349 -17.730 1.00 0.00 H new ATOM 0 HH12 ARG B 146 0.571 -0.260 -18.709 1.00 0.00 H new ATOM 0 HH21 ARG B 146 1.841 2.576 -17.016 1.00 0.00 H new ATOM 0 HH22 ARG B 146 2.126 1.401 -18.304 1.00 0.00 H new ATOM 2063 N SER B 147 -4.022 4.022 -12.809 1.00 0.00 N ATOM 2064 CA SER B 147 -3.865 5.469 -12.802 1.00 0.00 C ATOM 2065 C SER B 147 -3.760 6.057 -11.389 1.00 0.00 C ATOM 2066 O SER B 147 -2.801 6.789 -11.066 1.00 0.00 O ATOM 2067 CB SER B 147 -5.068 6.087 -13.549 1.00 0.00 C ATOM 2068 OG SER B 147 -5.044 7.512 -13.569 1.00 0.00 O ATOM 0 H SER B 147 -4.845 3.706 -13.323 1.00 0.00 H new ATOM 0 HA SER B 147 -2.926 5.711 -13.299 1.00 0.00 H new ATOM 0 HB2 SER B 147 -5.081 5.716 -14.574 1.00 0.00 H new ATOM 0 HB3 SER B 147 -5.992 5.752 -13.077 1.00 0.00 H new ATOM 0 HG SER B 147 -5.438 7.857 -12.741 1.00 0.00 H new ATOM 2074 N GLU B 148 -4.725 5.745 -10.566 1.00 0.00 N ATOM 2075 CA GLU B 148 -4.808 6.362 -9.274 1.00 0.00 C ATOM 2076 C GLU B 148 -3.894 5.710 -8.240 1.00 0.00 C ATOM 2077 O GLU B 148 -3.232 6.410 -7.476 1.00 0.00 O ATOM 2078 CB GLU B 148 -6.257 6.424 -8.786 1.00 0.00 C ATOM 2079 CG GLU B 148 -7.233 7.012 -9.817 1.00 0.00 C ATOM 2080 CD GLU B 148 -6.839 8.386 -10.339 1.00 0.00 C ATOM 2081 OE1 GLU B 148 -6.067 8.474 -11.312 1.00 0.00 O ATOM 2082 OE2 GLU B 148 -7.327 9.410 -9.808 1.00 0.00 O ATOM 0 H GLU B 148 -5.462 5.069 -10.768 1.00 0.00 H new ATOM 0 HA GLU B 148 -4.445 7.383 -9.393 1.00 0.00 H new ATOM 0 HB2 GLU B 148 -6.585 5.419 -8.521 1.00 0.00 H new ATOM 0 HB3 GLU B 148 -6.299 7.023 -7.876 1.00 0.00 H new ATOM 0 HG2 GLU B 148 -7.311 6.325 -10.659 1.00 0.00 H new ATOM 0 HG3 GLU B 148 -8.223 7.078 -9.366 1.00 0.00 H new ATOM 2089 N LEU B 149 -3.833 4.380 -8.228 1.00 0.00 N ATOM 2090 CA LEU B 149 -3.097 3.685 -7.184 1.00 0.00 C ATOM 2091 C LEU B 149 -1.601 3.670 -7.507 1.00 0.00 C ATOM 2092 O LEU B 149 -0.793 4.106 -6.692 1.00 0.00 O ATOM 2093 CB LEU B 149 -3.693 2.263 -6.997 1.00 0.00 C ATOM 2094 CG LEU B 149 -3.370 1.433 -5.723 1.00 0.00 C ATOM 2095 CD1 LEU B 149 -1.917 1.103 -5.589 1.00 0.00 C ATOM 2096 CD2 LEU B 149 -3.887 2.105 -4.470 1.00 0.00 C ATOM 0 H LEU B 149 -4.277 3.774 -8.918 1.00 0.00 H new ATOM 0 HA LEU B 149 -3.200 4.210 -6.235 1.00 0.00 H new ATOM 0 HB2 LEU B 149 -4.777 2.359 -7.052 1.00 0.00 H new ATOM 0 HB3 LEU B 149 -3.382 1.668 -7.856 1.00 0.00 H new ATOM 0 HG LEU B 149 -3.897 0.487 -5.846 1.00 0.00 H new ATOM 0 HD11 LEU B 149 -1.758 0.523 -4.680 1.00 0.00 H new ATOM 0 HD12 LEU B 149 -1.595 0.520 -6.452 1.00 0.00 H new ATOM 0 HD13 LEU B 149 -1.338 2.025 -5.537 1.00 0.00 H new ATOM 0 HD21 LEU B 149 -3.641 1.494 -3.602 1.00 0.00 H new ATOM 0 HD22 LEU B 149 -3.424 3.086 -4.366 1.00 0.00 H new ATOM 0 HD23 LEU B 149 -4.969 2.220 -4.539 1.00 0.00 H new ATOM 2108 N MET B 150 -1.239 3.203 -8.701 1.00 0.00 N ATOM 2109 CA MET B 150 0.162 3.114 -9.102 1.00 0.00 C ATOM 2110 C MET B 150 0.277 2.620 -10.515 1.00 0.00 C ATOM 2111 O MET B 150 -0.230 1.541 -10.868 1.00 0.00 O ATOM 2112 CB MET B 150 1.070 2.295 -8.097 1.00 0.00 C ATOM 2113 CG MET B 150 0.770 0.797 -7.912 1.00 0.00 C ATOM 2114 SD MET B 150 1.425 -0.292 -9.205 1.00 0.00 S ATOM 2115 CE MET B 150 3.197 -0.012 -9.069 1.00 0.00 C ATOM 0 H MET B 150 -1.899 2.880 -9.408 1.00 0.00 H new ATOM 0 HA MET B 150 0.561 4.127 -9.061 1.00 0.00 H new ATOM 0 HB2 MET B 150 2.104 2.391 -8.427 1.00 0.00 H new ATOM 0 HB3 MET B 150 1.002 2.773 -7.120 1.00 0.00 H new ATOM 0 HG2 MET B 150 1.176 0.478 -6.952 1.00 0.00 H new ATOM 0 HG3 MET B 150 -0.311 0.664 -7.861 1.00 0.00 H new ATOM 0 HE1 MET B 150 3.723 -0.660 -9.771 1.00 0.00 H new ATOM 0 HE2 MET B 150 3.420 1.030 -9.300 1.00 0.00 H new ATOM 0 HE3 MET B 150 3.524 -0.236 -8.054 1.00 0.00 H new ATOM 2125 N ASP B 151 0.826 3.462 -11.347 1.00 0.00 N ATOM 2126 CA ASP B 151 1.096 3.110 -12.729 1.00 0.00 C ATOM 2127 C ASP B 151 2.373 2.328 -12.717 1.00 0.00 C ATOM 2128 O ASP B 151 2.516 1.279 -13.359 1.00 0.00 O ATOM 2129 CB ASP B 151 1.292 4.384 -13.556 1.00 0.00 C ATOM 2130 CG ASP B 151 1.345 4.128 -15.043 1.00 0.00 C ATOM 2131 OD1 ASP B 151 2.424 3.889 -15.611 1.00 0.00 O ATOM 2132 OD2 ASP B 151 0.283 4.203 -15.687 1.00 0.00 O ATOM 0 H ASP B 151 1.101 4.411 -11.095 1.00 0.00 H new ATOM 0 HA ASP B 151 0.275 2.540 -13.163 1.00 0.00 H new ATOM 0 HB2 ASP B 151 0.478 5.077 -13.342 1.00 0.00 H new ATOM 0 HB3 ASP B 151 2.216 4.872 -13.245 1.00 0.00 H new ATOM 2137 N ALA B 152 3.252 2.838 -11.904 1.00 0.00 N ATOM 2138 CA ALA B 152 4.537 2.357 -11.622 1.00 0.00 C ATOM 2139 C ALA B 152 4.945 3.215 -10.468 1.00 0.00 C ATOM 2140 O ALA B 152 6.014 3.023 -9.898 1.00 0.00 O ATOM 2141 CB ALA B 152 5.480 2.558 -12.806 1.00 0.00 C ATOM 2142 OXT ALA B 152 4.135 4.144 -10.129 1.00 0.00 O ATOM 0 H ALA B 152 3.047 3.687 -11.378 1.00 0.00 H new ATOM 0 HA ALA B 152 4.564 1.288 -11.413 1.00 0.00 H new ATOM 0 HB1 ALA B 152 6.468 2.174 -12.553 1.00 0.00 H new ATOM 0 HB2 ALA B 152 5.094 2.023 -13.674 1.00 0.00 H new ATOM 0 HB3 ALA B 152 5.552 3.621 -13.037 1.00 0.00 H new TER 2148 ALA B 152