USER MOD reduce.3.24.130724 H: found=0, std=0, add=1036, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 1035 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 79 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: B 133 HIS : no HD1:sc= -0.72 K(o=-0.72,f=0.19) USER MOD Set 2.1: A 57 CYS SG : rot 69:sc= 1.24 USER MOD Set 2.2: A 68 CYS SG : rot 180:sc= 0.913 USER MOD Set 3.1: A 30 GLN : amide:sc= 0.961 K(o=-1.9,f=-5.4) USER MOD Set 3.2: A 34 SER OG : rot -107:sc= 0.481 USER MOD Set 3.3: A 36 SER OG : rot 123:sc= 0.682 USER MOD Set 3.4: A 38 HIS : no HE2:sc= -4.03! C(o=-1.9!,f=-8.2!) USER MOD Set 4.1: A 23 THR OG1 : rot 119:sc= 1.13 USER MOD Set 4.2: A 25 SER OG : rot 180:sc= 0.971 USER MOD Single : A 5 SER OG : rot 15:sc= 0.835 USER MOD Single : A 8 CYS SG : rot -3:sc= 0.00449 USER MOD Single : A 9 MET CE :methyl 166:sc= 0 (180deg=-0.138) USER MOD Single : A 10 HIS : no HD1:sc= -0.0869 X(o=-0.087,f=-0.35) USER MOD Single : A 12 SER OG : rot 33:sc= 1.09 USER MOD Single : A 15 ASN : amide:sc= -0.121 K(o=-0.12,f=-1.5!) USER MOD Single : A 16 TYR OH : rot 30:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 MET CE :methyl 128:sc= -0.215 (180deg=-0.856) USER MOD Single : A 29 CYS SG : rot -134:sc= -1.85! USER MOD Single : A 35 GLN : amide:sc= -1.06 K(o=-1.1,f=-0.39) USER MOD Single : A 40 HIS : no HD1:sc= -0.0794 K(o=-0.079,f=-0.91) USER MOD Single : A 42 TYR OH : rot 130:sc= -0.0418 USER MOD Single : A 45 SER OG : rot 180:sc= 0.0698 USER MOD Single : A 46 LYS NZ :NH3+ 129:sc= 1.21 (180deg=0.814) USER MOD Single : A 49 ASN : amide:sc= -1.06 K(o=-1.1,f=-7.5!) USER MOD Single : A 50 LYS NZ :NH3+ 174:sc= 1.15 (180deg=1.03) USER MOD Single : A 51 ASN : amide:sc= 0.494 K(o=0.49,f=-1.5!) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= -0.0118 K(o=-0.012,f=-4.8!) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= -0.213 K(o=-0.21,f=-11!) USER MOD Single : A 70 THR OG1 : rot 107:sc= 1.24 USER MOD Single : A 71 THR OG1 : rot 126:sc= -0.424 USER MOD Single : A 74 ASN : amide:sc= 0.813 K(o=0.81,f=-0.32) USER MOD Single : A 75 LYS NZ :NH3+ 159:sc= 1.26 (180deg=1.12) USER MOD Single : A 80 CYS SG : rot 100:sc= 0.602 USER MOD Single : A 85 CYS SG : rot 42:sc= 0.334 USER MOD Single : B 102 SER OG : rot 180:sc= 0 USER MOD Single : B 105 LYS NZ :NH3+ -173:sc= 1.58 (180deg=1.51) USER MOD Single : B 107 THR OG1 : rot -91:sc= 1.41 USER MOD Single : B 113 GLN : amide:sc= -0.228 X(o=-0.23,f=-0.12) USER MOD Single : B 116 LYS NZ :NH3+ 130:sc= 1.27 (180deg=0.936) USER MOD Single : B 117 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 129 LYS NZ :NH3+ -175:sc= 2.21 (180deg=1.89) USER MOD Single : B 130 SER OG : rot -59:sc= 1.26 USER MOD Single : B 135 HIS : no HD1:sc= 0 X(o=0,f=-0.0057) USER MOD Single : B 137 LYS NZ :NH3+ 172:sc= 1.25 (180deg=1.23) USER MOD Single : B 138 LYS NZ :NH3+ -168:sc=-0.00753 (180deg=-0.136) USER MOD Single : B 143 LYS NZ :NH3+ -156:sc= 3.52 (180deg=2.75) USER MOD Single : B 148 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 152 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 75 N SER A 5 -25.106 7.643 -5.197 1.00 15.00 N ATOM 76 CA SER A 5 -24.820 6.237 -4.974 1.00 15.00 C ATOM 77 C SER A 5 -24.999 5.880 -3.499 1.00 15.00 C ATOM 78 O SER A 5 -24.592 6.640 -2.616 1.00 15.00 O ATOM 79 CB SER A 5 -23.391 5.940 -5.429 1.00 15.00 C ATOM 80 OG SER A 5 -22.786 7.107 -5.973 1.00 15.00 O ATOM 0 HA SER A 5 -25.517 5.630 -5.551 1.00 15.00 H new ATOM 0 HB2 SER A 5 -22.803 5.578 -4.586 1.00 15.00 H new ATOM 0 HB3 SER A 5 -23.399 5.146 -6.176 1.00 15.00 H new ATOM 0 HG SER A 5 -23.313 7.895 -5.725 1.00 15.00 H new ATOM 86 N GLU A 6 -25.614 4.737 -3.237 1.00 15.00 N ATOM 87 CA GLU A 6 -25.838 4.294 -1.870 1.00 15.00 C ATOM 88 C GLU A 6 -25.530 2.809 -1.727 1.00 15.00 C ATOM 89 O GLU A 6 -26.136 1.968 -2.396 1.00 15.00 O ATOM 90 CB GLU A 6 -27.279 4.576 -1.436 1.00 15.00 C ATOM 91 CG GLU A 6 -27.524 4.310 0.040 1.00 15.00 C ATOM 92 CD GLU A 6 -26.664 5.173 0.942 1.00 15.00 C ATOM 93 OE1 GLU A 6 -25.453 4.892 1.068 1.00 15.00 O ATOM 94 OE2 GLU A 6 -27.193 6.141 1.527 1.00 15.00 O1- ATOM 0 H GLU A 6 -25.966 4.100 -3.952 1.00 15.00 H new ATOM 0 HA GLU A 6 -25.164 4.854 -1.222 1.00 15.00 H new ATOM 0 HB2 GLU A 6 -27.521 5.616 -1.656 1.00 15.00 H new ATOM 0 HB3 GLU A 6 -27.957 3.960 -2.027 1.00 15.00 H new ATOM 0 HG2 GLU A 6 -28.575 4.489 0.267 1.00 15.00 H new ATOM 0 HG3 GLU A 6 -27.326 3.260 0.253 1.00 15.00 H new ATOM 101 N GLU A 7 -24.588 2.499 -0.847 1.00 15.00 N ATOM 102 CA GLU A 7 -24.179 1.127 -0.596 1.00 15.00 C ATOM 103 C GLU A 7 -23.445 1.043 0.733 1.00 15.00 C ATOM 104 O GLU A 7 -23.013 2.063 1.280 1.00 15.00 O ATOM 105 CB GLU A 7 -23.287 0.603 -1.733 1.00 15.00 C ATOM 106 CG GLU A 7 -22.161 1.549 -2.124 1.00 15.00 C ATOM 107 CD GLU A 7 -21.246 0.959 -3.180 1.00 15.00 C ATOM 108 OE1 GLU A 7 -20.021 0.914 -2.947 1.00 15.00 O ATOM 109 OE2 GLU A 7 -21.749 0.534 -4.244 1.00 15.00 O1- ATOM 0 H GLU A 7 -24.088 3.191 -0.289 1.00 15.00 H new ATOM 0 HA GLU A 7 -25.071 0.502 -0.552 1.00 15.00 H new ATOM 0 HB2 GLU A 7 -22.857 -0.352 -1.432 1.00 15.00 H new ATOM 0 HB3 GLU A 7 -23.907 0.412 -2.609 1.00 15.00 H new ATOM 0 HG2 GLU A 7 -22.587 2.481 -2.496 1.00 15.00 H new ATOM 0 HG3 GLU A 7 -21.576 1.797 -1.239 1.00 15.00 H new ATOM 116 N CYS A 8 -23.332 -0.159 1.268 1.00 15.00 N ATOM 117 CA CYS A 8 -22.647 -0.370 2.533 1.00 15.00 C ATOM 118 C CYS A 8 -21.741 -1.592 2.446 1.00 15.00 C ATOM 119 O CYS A 8 -22.153 -2.655 1.980 1.00 15.00 O ATOM 120 CB CYS A 8 -23.666 -0.539 3.662 1.00 15.00 C ATOM 121 SG CYS A 8 -24.721 0.907 3.929 1.00 15.00 S ATOM 0 H CYS A 8 -23.707 -1.008 0.845 1.00 15.00 H new ATOM 0 HA CYS A 8 -22.030 0.503 2.748 1.00 15.00 H new ATOM 0 HB2 CYS A 8 -24.297 -1.400 3.441 1.00 15.00 H new ATOM 0 HB3 CYS A 8 -23.134 -0.763 4.587 1.00 15.00 H new ATOM 0 HG CYS A 8 -24.357 1.863 3.127 1.00 15.00 H new ATOM 127 N MET A 9 -20.507 -1.435 2.896 1.00 15.00 N ATOM 128 CA MET A 9 -19.527 -2.514 2.864 1.00 15.00 C ATOM 129 C MET A 9 -19.146 -2.929 4.278 1.00 15.00 C ATOM 130 O MET A 9 -19.492 -2.250 5.244 1.00 15.00 O ATOM 131 CB MET A 9 -18.273 -2.073 2.106 1.00 15.00 C ATOM 132 CG MET A 9 -18.545 -1.630 0.679 1.00 15.00 C ATOM 133 SD MET A 9 -18.653 -3.008 -0.480 1.00 15.00 S ATOM 134 CE MET A 9 -18.989 -2.127 -2.003 1.00 15.00 C ATOM 0 H MET A 9 -20.156 -0.563 3.292 1.00 15.00 H new ATOM 0 HA MET A 9 -19.975 -3.365 2.351 1.00 15.00 H new ATOM 0 HB2 MET A 9 -17.802 -1.253 2.648 1.00 15.00 H new ATOM 0 HB3 MET A 9 -17.560 -2.897 2.091 1.00 15.00 H new ATOM 0 HG2 MET A 9 -19.477 -1.066 0.651 1.00 15.00 H new ATOM 0 HG3 MET A 9 -17.753 -0.954 0.357 1.00 15.00 H new ATOM 0 HE1 MET A 9 -18.839 -2.796 -2.851 1.00 15.00 H new ATOM 0 HE2 MET A 9 -20.020 -1.772 -1.998 1.00 15.00 H new ATOM 0 HE3 MET A 9 -18.313 -1.276 -2.088 1.00 15.00 H new ATOM 144 N HIS A 10 -18.467 -4.059 4.395 1.00 15.00 N ATOM 145 CA HIS A 10 -18.026 -4.563 5.689 1.00 15.00 C ATOM 146 C HIS A 10 -16.978 -3.626 6.291 1.00 15.00 C ATOM 147 O HIS A 10 -16.267 -2.942 5.556 1.00 15.00 O ATOM 148 CB HIS A 10 -17.453 -5.976 5.541 1.00 15.00 C ATOM 149 CG HIS A 10 -17.059 -6.614 6.840 1.00 15.00 C ATOM 150 ND1 HIS A 10 -17.913 -6.634 7.918 1.00 15.00 N ATOM 151 CD2 HIS A 10 -15.896 -7.218 7.187 1.00 15.00 C ATOM 152 CE1 HIS A 10 -17.258 -7.243 8.892 1.00 15.00 C ATOM 153 NE2 HIS A 10 -16.035 -7.614 8.492 1.00 15.00 N ATOM 0 H HIS A 10 -18.207 -4.649 3.605 1.00 15.00 H new ATOM 0 HA HIS A 10 -18.884 -4.604 6.360 1.00 15.00 H new ATOM 0 HB2 HIS A 10 -18.192 -6.607 5.048 1.00 15.00 H new ATOM 0 HB3 HIS A 10 -16.581 -5.937 4.888 1.00 15.00 H new ATOM 0 HD2 HIS A 10 -15.029 -7.360 6.558 1.00 15.00 H new ATOM 0 HE1 HIS A 10 -17.657 -7.418 9.880 1.00 15.00 H new ATOM 0 HE2 HIS A 10 -15.337 -8.101 9.054 1.00 15.00 H new ATOM 161 N GLY A 11 -16.908 -3.590 7.623 1.00 15.00 N ATOM 162 CA GLY A 11 -15.953 -2.734 8.312 1.00 15.00 C ATOM 163 C GLY A 11 -14.523 -2.923 7.827 1.00 15.00 C ATOM 164 O GLY A 11 -13.903 -1.982 7.335 1.00 15.00 O ATOM 0 H GLY A 11 -17.501 -4.144 8.241 1.00 15.00 H new ATOM 0 HA2 GLY A 11 -16.242 -1.692 8.174 1.00 15.00 H new ATOM 0 HA3 GLY A 11 -15.997 -2.938 9.382 1.00 15.00 H new ATOM 168 N SER A 12 -14.004 -4.136 7.972 1.00 15.00 N ATOM 169 CA SER A 12 -12.645 -4.447 7.542 1.00 15.00 C ATOM 170 C SER A 12 -12.534 -4.397 6.018 1.00 15.00 C ATOM 171 O SER A 12 -11.559 -3.877 5.471 1.00 15.00 O ATOM 172 CB SER A 12 -12.237 -5.831 8.063 1.00 15.00 C ATOM 173 OG SER A 12 -10.854 -6.077 7.869 1.00 15.00 O ATOM 0 H SER A 12 -14.505 -4.923 8.385 1.00 15.00 H new ATOM 0 HA SER A 12 -11.969 -3.699 7.955 1.00 15.00 H new ATOM 0 HB2 SER A 12 -12.475 -5.905 9.124 1.00 15.00 H new ATOM 0 HB3 SER A 12 -12.818 -6.598 7.552 1.00 15.00 H new ATOM 0 HG SER A 12 -10.358 -5.235 7.943 1.00 15.00 H new ATOM 179 N GLY A 13 -13.545 -4.933 5.341 1.00 15.00 N ATOM 180 CA GLY A 13 -13.547 -4.950 3.890 1.00 15.00 C ATOM 181 C GLY A 13 -12.381 -5.739 3.323 1.00 15.00 C ATOM 182 O GLY A 13 -11.732 -5.311 2.370 1.00 15.00 O ATOM 0 H GLY A 13 -14.365 -5.357 5.774 1.00 15.00 H new ATOM 0 HA2 GLY A 13 -14.483 -5.382 3.535 1.00 15.00 H new ATOM 0 HA3 GLY A 13 -13.507 -3.927 3.517 1.00 15.00 H new ATOM 186 N GLU A 14 -12.131 -6.901 3.908 1.00 15.00 N ATOM 187 CA GLU A 14 -11.035 -7.759 3.483 1.00 15.00 C ATOM 188 C GLU A 14 -11.319 -8.384 2.117 1.00 15.00 C ATOM 189 O GLU A 14 -10.425 -8.501 1.274 1.00 15.00 O ATOM 190 CB GLU A 14 -10.806 -8.855 4.525 1.00 15.00 C ATOM 191 CG GLU A 14 -9.773 -9.891 4.105 1.00 15.00 C ATOM 192 CD GLU A 14 -9.880 -11.176 4.900 1.00 15.00 C ATOM 193 OE1 GLU A 14 -9.034 -12.069 4.697 1.00 15.00 O ATOM 194 OE2 GLU A 14 -10.807 -11.299 5.729 1.00 15.00 O1- ATOM 0 H GLU A 14 -12.677 -7.274 4.685 1.00 15.00 H new ATOM 0 HA GLU A 14 -10.136 -7.149 3.392 1.00 15.00 H new ATOM 0 HB2 GLU A 14 -10.487 -8.394 5.460 1.00 15.00 H new ATOM 0 HB3 GLU A 14 -11.752 -9.358 4.724 1.00 15.00 H new ATOM 0 HG2 GLU A 14 -9.896 -10.113 3.045 1.00 15.00 H new ATOM 0 HG3 GLU A 14 -8.774 -9.473 4.229 1.00 15.00 H new ATOM 201 N ASN A 15 -12.571 -8.761 1.895 1.00 15.00 N ATOM 202 CA ASN A 15 -12.967 -9.386 0.640 1.00 15.00 C ATOM 203 C ASN A 15 -13.524 -8.352 -0.333 1.00 15.00 C ATOM 204 O ASN A 15 -14.335 -8.676 -1.205 1.00 15.00 O ATOM 205 CB ASN A 15 -14.004 -10.485 0.888 1.00 15.00 C ATOM 206 CG ASN A 15 -13.968 -11.554 -0.189 1.00 15.00 C ATOM 207 OD1 ASN A 15 -12.908 -11.860 -0.738 1.00 15.00 O ATOM 208 ND2 ASN A 15 -15.119 -12.125 -0.502 1.00 15.00 N ATOM 0 H ASN A 15 -13.329 -8.645 2.567 1.00 15.00 H new ATOM 0 HA ASN A 15 -12.079 -9.835 0.196 1.00 15.00 H new ATOM 0 HB2 ASN A 15 -13.821 -10.943 1.860 1.00 15.00 H new ATOM 0 HB3 ASN A 15 -14.999 -10.042 0.926 1.00 15.00 H new ATOM 0 HD21 ASN A 15 -15.151 -12.847 -1.222 1.00 15.00 H new ATOM 0 HD22 ASN A 15 -15.975 -11.843 -0.024 1.00 15.00 H new ATOM 215 N TYR A 16 -13.086 -7.107 -0.178 1.00 15.00 N ATOM 216 CA TYR A 16 -13.529 -6.024 -1.042 1.00 15.00 C ATOM 217 C TYR A 16 -13.047 -6.275 -2.467 1.00 15.00 C ATOM 218 O TYR A 16 -11.848 -6.244 -2.742 1.00 15.00 O ATOM 219 CB TYR A 16 -12.995 -4.684 -0.525 1.00 15.00 C ATOM 220 CG TYR A 16 -13.478 -3.475 -1.302 1.00 15.00 C ATOM 221 CD1 TYR A 16 -14.761 -2.980 -1.120 1.00 15.00 C ATOM 222 CD2 TYR A 16 -12.645 -2.822 -2.207 1.00 15.00 C ATOM 223 CE1 TYR A 16 -15.208 -1.871 -1.817 1.00 15.00 C ATOM 224 CE2 TYR A 16 -13.084 -1.715 -2.910 1.00 15.00 C ATOM 225 CZ TYR A 16 -14.366 -1.242 -2.713 1.00 15.00 C ATOM 226 OH TYR A 16 -14.808 -0.138 -3.410 1.00 15.00 O ATOM 0 H TYR A 16 -12.421 -6.824 0.542 1.00 15.00 H new ATOM 0 HA TYR A 16 -14.618 -5.985 -1.039 1.00 15.00 H new ATOM 0 HB2 TYR A 16 -13.286 -4.569 0.519 1.00 15.00 H new ATOM 0 HB3 TYR A 16 -11.906 -4.706 -0.552 1.00 15.00 H new ATOM 0 HD1 TYR A 16 -15.424 -3.469 -0.421 1.00 15.00 H new ATOM 0 HD2 TYR A 16 -11.640 -3.186 -2.362 1.00 15.00 H new ATOM 0 HE1 TYR A 16 -16.210 -1.499 -1.661 1.00 15.00 H new ATOM 0 HE2 TYR A 16 -12.426 -1.222 -3.611 1.00 15.00 H new ATOM 0 HH TYR A 16 -15.469 0.346 -2.872 1.00 15.00 H new ATOM 236 N ASP A 17 -13.984 -6.543 -3.361 1.00 15.00 N ATOM 237 CA ASP A 17 -13.646 -6.817 -4.749 1.00 15.00 C ATOM 238 C ASP A 17 -14.238 -5.763 -5.670 1.00 15.00 C ATOM 239 O ASP A 17 -14.245 -5.921 -6.893 1.00 15.00 O ATOM 240 CB ASP A 17 -14.137 -8.208 -5.152 1.00 15.00 C ATOM 241 CG ASP A 17 -13.316 -8.805 -6.277 1.00 15.00 C ATOM 242 OD1 ASP A 17 -12.072 -8.848 -6.158 1.00 15.00 O ATOM 243 OD2 ASP A 17 -13.912 -9.243 -7.281 1.00 15.00 O1- ATOM 0 H ASP A 17 -14.982 -6.577 -3.152 1.00 15.00 H new ATOM 0 HA ASP A 17 -12.561 -6.785 -4.846 1.00 15.00 H new ATOM 0 HB2 ASP A 17 -14.098 -8.869 -4.286 1.00 15.00 H new ATOM 0 HB3 ASP A 17 -15.181 -8.147 -5.460 1.00 15.00 H new ATOM 248 N GLY A 18 -14.726 -4.685 -5.070 1.00 15.00 N ATOM 249 CA GLY A 18 -15.309 -3.605 -5.841 1.00 15.00 C ATOM 250 C GLY A 18 -14.296 -2.952 -6.760 1.00 15.00 C ATOM 251 O GLY A 18 -13.108 -2.876 -6.432 1.00 15.00 O ATOM 0 H GLY A 18 -14.728 -4.539 -4.060 1.00 15.00 H new ATOM 0 HA2 GLY A 18 -16.140 -3.989 -6.432 1.00 15.00 H new ATOM 0 HA3 GLY A 18 -15.719 -2.856 -5.163 1.00 15.00 H new ATOM 255 N LYS A 19 -14.761 -2.479 -7.903 1.00 15.00 N ATOM 256 CA LYS A 19 -13.888 -1.837 -8.875 1.00 15.00 C ATOM 257 C LYS A 19 -13.547 -0.419 -8.437 1.00 15.00 C ATOM 258 O LYS A 19 -14.426 0.441 -8.330 1.00 15.00 O ATOM 259 CB LYS A 19 -14.549 -1.812 -10.254 1.00 15.00 C ATOM 260 CG LYS A 19 -14.679 -3.183 -10.888 1.00 15.00 C ATOM 261 CD LYS A 19 -15.461 -3.117 -12.190 1.00 15.00 C ATOM 262 CE LYS A 19 -15.741 -4.502 -12.751 1.00 15.00 C ATOM 263 NZ LYS A 19 -16.607 -4.447 -13.959 1.00 15.00 N1+ ATOM 0 H LYS A 19 -15.741 -2.527 -8.183 1.00 15.00 H new ATOM 0 HA LYS A 19 -12.966 -2.415 -8.936 1.00 15.00 H new ATOM 0 HB2 LYS A 19 -15.540 -1.366 -10.165 1.00 15.00 H new ATOM 0 HB3 LYS A 19 -13.968 -1.169 -10.915 1.00 15.00 H new ATOM 0 HG2 LYS A 19 -13.687 -3.594 -11.077 1.00 15.00 H new ATOM 0 HG3 LYS A 19 -15.178 -3.861 -10.195 1.00 15.00 H new ATOM 0 HD2 LYS A 19 -16.403 -2.596 -12.022 1.00 15.00 H new ATOM 0 HD3 LYS A 19 -14.901 -2.535 -12.922 1.00 15.00 H new ATOM 0 HE2 LYS A 19 -14.799 -4.989 -13.002 1.00 15.00 H new ATOM 0 HE3 LYS A 19 -16.222 -5.113 -11.987 1.00 15.00 H new ATOM 0 HZ1 LYS A 19 -16.774 -5.411 -14.311 1.00 15.00 H new ATOM 0 HZ2 LYS A 19 -17.516 -4.005 -13.715 1.00 15.00 H new ATOM 0 HZ3 LYS A 19 -16.137 -3.886 -14.698 1.00 15.00 H new ATOM 277 N ILE A 20 -12.271 -0.197 -8.166 1.00 15.00 N ATOM 278 CA ILE A 20 -11.782 1.106 -7.749 1.00 15.00 C ATOM 279 C ILE A 20 -10.261 1.148 -7.860 1.00 15.00 C ATOM 280 O ILE A 20 -9.568 0.227 -7.419 1.00 15.00 O ATOM 281 CB ILE A 20 -12.227 1.451 -6.307 1.00 15.00 C ATOM 282 CG1 ILE A 20 -11.726 2.840 -5.909 1.00 15.00 C ATOM 283 CG2 ILE A 20 -11.743 0.399 -5.318 1.00 15.00 C ATOM 284 CD1 ILE A 20 -12.403 3.396 -4.678 1.00 15.00 C ATOM 0 H ILE A 20 -11.547 -0.913 -8.229 1.00 15.00 H new ATOM 0 HA ILE A 20 -12.214 1.856 -8.412 1.00 15.00 H new ATOM 0 HB ILE A 20 -13.317 1.457 -6.282 1.00 15.00 H new ATOM 0 HG12 ILE A 20 -10.651 2.793 -5.733 1.00 15.00 H new ATOM 0 HG13 ILE A 20 -11.883 3.526 -6.741 1.00 15.00 H new ATOM 0 HG21 ILE A 20 -12.070 0.667 -4.313 1.00 15.00 H new ATOM 0 HG22 ILE A 20 -12.158 -0.572 -5.588 1.00 15.00 H new ATOM 0 HG23 ILE A 20 -10.654 0.349 -5.344 1.00 15.00 H new ATOM 0 HD11 ILE A 20 -11.998 4.383 -4.455 1.00 15.00 H new ATOM 0 HD12 ILE A 20 -13.475 3.476 -4.857 1.00 15.00 H new ATOM 0 HD13 ILE A 20 -12.225 2.731 -3.833 1.00 15.00 H new ATOM 296 N SER A 21 -9.751 2.197 -8.485 1.00 15.00 N ATOM 297 CA SER A 21 -8.319 2.362 -8.654 1.00 15.00 C ATOM 298 C SER A 21 -7.886 3.764 -8.227 1.00 15.00 C ATOM 299 O SER A 21 -7.030 4.390 -8.860 1.00 15.00 O ATOM 300 CB SER A 21 -7.943 2.092 -10.110 1.00 15.00 C ATOM 301 OG SER A 21 -8.894 2.656 -10.997 1.00 15.00 O ATOM 0 H SER A 21 -10.312 2.949 -8.885 1.00 15.00 H new ATOM 0 HA SER A 21 -7.797 1.647 -8.018 1.00 15.00 H new ATOM 0 HB2 SER A 21 -6.957 2.508 -10.317 1.00 15.00 H new ATOM 0 HB3 SER A 21 -7.877 1.017 -10.278 1.00 15.00 H new ATOM 0 HG SER A 21 -8.629 2.470 -11.922 1.00 15.00 H new ATOM 307 N LYS A 22 -8.480 4.243 -7.143 1.00 15.00 N ATOM 308 CA LYS A 22 -8.173 5.566 -6.617 1.00 15.00 C ATOM 309 C LYS A 22 -8.181 5.549 -5.094 1.00 15.00 C ATOM 310 O LYS A 22 -8.838 4.710 -4.474 1.00 15.00 O ATOM 311 CB LYS A 22 -9.183 6.601 -7.129 1.00 15.00 C ATOM 312 CG LYS A 22 -8.721 7.354 -8.370 1.00 15.00 C ATOM 313 CD LYS A 22 -9.685 8.473 -8.740 1.00 15.00 C ATOM 314 CE LYS A 22 -10.921 7.938 -9.446 1.00 15.00 C ATOM 315 NZ LYS A 22 -11.927 9.004 -9.689 1.00 15.00 N1+ ATOM 0 H LYS A 22 -9.182 3.732 -6.608 1.00 15.00 H new ATOM 0 HA LYS A 22 -7.178 5.845 -6.964 1.00 15.00 H new ATOM 0 HB2 LYS A 22 -10.124 6.097 -7.351 1.00 15.00 H new ATOM 0 HB3 LYS A 22 -9.386 7.319 -6.335 1.00 15.00 H new ATOM 0 HG2 LYS A 22 -7.729 7.771 -8.195 1.00 15.00 H new ATOM 0 HG3 LYS A 22 -8.632 6.659 -9.205 1.00 15.00 H new ATOM 0 HD2 LYS A 22 -9.984 9.009 -7.839 1.00 15.00 H new ATOM 0 HD3 LYS A 22 -9.179 9.191 -9.385 1.00 15.00 H new ATOM 0 HE2 LYS A 22 -10.631 7.490 -10.396 1.00 15.00 H new ATOM 0 HE3 LYS A 22 -11.369 7.147 -8.844 1.00 15.00 H new ATOM 0 HZ1 LYS A 22 -12.754 8.598 -10.172 1.00 15.00 H new ATOM 0 HZ2 LYS A 22 -12.224 9.415 -8.781 1.00 15.00 H new ATOM 0 HZ3 LYS A 22 -11.509 9.747 -10.285 1.00 15.00 H new ATOM 329 N THR A 23 -7.439 6.470 -4.500 1.00 15.00 N ATOM 330 CA THR A 23 -7.360 6.575 -3.053 1.00 15.00 C ATOM 331 C THR A 23 -8.394 7.573 -2.540 1.00 15.00 C ATOM 332 O THR A 23 -9.094 8.206 -3.331 1.00 15.00 O ATOM 333 CB THR A 23 -5.956 7.031 -2.614 1.00 15.00 C ATOM 334 OG1 THR A 23 -5.648 8.304 -3.207 1.00 15.00 O ATOM 335 CG2 THR A 23 -4.903 6.009 -3.021 1.00 15.00 C ATOM 0 H THR A 23 -6.880 7.159 -5.002 1.00 15.00 H new ATOM 0 HA THR A 23 -7.562 5.590 -2.633 1.00 15.00 H new ATOM 0 HB THR A 23 -5.949 7.123 -1.528 1.00 15.00 H new ATOM 0 HG1 THR A 23 -5.498 8.966 -2.500 1.00 15.00 H new ATOM 0 HG21 THR A 23 -3.919 6.353 -2.700 1.00 15.00 H new ATOM 0 HG22 THR A 23 -5.124 5.051 -2.550 1.00 15.00 H new ATOM 0 HG23 THR A 23 -4.911 5.891 -4.105 1.00 15.00 H new ATOM 343 N MET A 24 -8.478 7.736 -1.220 1.00 15.00 N ATOM 344 CA MET A 24 -9.432 8.678 -0.637 1.00 15.00 C ATOM 345 C MET A 24 -9.030 10.113 -0.968 1.00 15.00 C ATOM 346 O MET A 24 -9.842 11.034 -0.898 1.00 15.00 O ATOM 347 CB MET A 24 -9.530 8.488 0.885 1.00 15.00 C ATOM 348 CG MET A 24 -8.276 8.884 1.662 1.00 15.00 C ATOM 349 SD MET A 24 -8.234 10.629 2.123 1.00 15.00 S ATOM 350 CE MET A 24 -9.615 10.715 3.260 1.00 15.00 C ATOM 0 H MET A 24 -7.905 7.235 -0.542 1.00 15.00 H new ATOM 0 HA MET A 24 -10.413 8.480 -1.068 1.00 15.00 H new ATOM 0 HB2 MET A 24 -10.371 9.074 1.257 1.00 15.00 H new ATOM 0 HB3 MET A 24 -9.754 7.442 1.093 1.00 15.00 H new ATOM 0 HG2 MET A 24 -8.211 8.276 2.565 1.00 15.00 H new ATOM 0 HG3 MET A 24 -7.397 8.655 1.059 1.00 15.00 H new ATOM 0 HE1 MET A 24 -9.290 11.175 4.193 1.00 15.00 H new ATOM 0 HE2 MET A 24 -10.412 11.313 2.819 1.00 15.00 H new ATOM 0 HE3 MET A 24 -9.984 9.709 3.461 1.00 15.00 H new ATOM 360 N SER A 25 -7.768 10.285 -1.334 1.00 15.00 N ATOM 361 CA SER A 25 -7.229 11.587 -1.680 1.00 15.00 C ATOM 362 C SER A 25 -7.511 11.920 -3.144 1.00 15.00 C ATOM 363 O SER A 25 -7.347 13.061 -3.577 1.00 15.00 O ATOM 364 CB SER A 25 -5.722 11.593 -1.421 1.00 15.00 C ATOM 365 OG SER A 25 -5.246 10.267 -1.199 1.00 15.00 O ATOM 0 H SER A 25 -7.091 9.525 -1.399 1.00 15.00 H new ATOM 0 HA SER A 25 -7.711 12.345 -1.062 1.00 15.00 H new ATOM 0 HB2 SER A 25 -5.203 12.034 -2.272 1.00 15.00 H new ATOM 0 HB3 SER A 25 -5.499 12.215 -0.554 1.00 15.00 H new ATOM 0 HG SER A 25 -4.280 10.289 -1.037 1.00 15.00 H new ATOM 371 N GLY A 26 -7.947 10.921 -3.902 1.00 15.00 N ATOM 372 CA GLY A 26 -8.232 11.130 -5.310 1.00 15.00 C ATOM 373 C GLY A 26 -6.999 10.940 -6.168 1.00 15.00 C ATOM 374 O GLY A 26 -6.889 11.516 -7.251 1.00 15.00 O ATOM 0 H GLY A 26 -8.108 9.971 -3.568 1.00 15.00 H new ATOM 0 HA2 GLY A 26 -9.008 10.435 -5.631 1.00 15.00 H new ATOM 0 HA3 GLY A 26 -8.625 12.136 -5.456 1.00 15.00 H new ATOM 378 N LEU A 27 -6.061 10.148 -5.671 1.00 15.00 N ATOM 379 CA LEU A 27 -4.825 9.878 -6.389 1.00 15.00 C ATOM 380 C LEU A 27 -4.931 8.561 -7.144 1.00 15.00 C ATOM 381 O LEU A 27 -5.702 7.678 -6.760 1.00 15.00 O ATOM 382 CB LEU A 27 -3.643 9.833 -5.419 1.00 15.00 C ATOM 383 CG LEU A 27 -3.430 11.097 -4.585 1.00 15.00 C ATOM 384 CD1 LEU A 27 -2.334 10.877 -3.552 1.00 15.00 C ATOM 385 CD2 LEU A 27 -3.091 12.281 -5.480 1.00 15.00 C ATOM 0 H LEU A 27 -6.133 9.679 -4.768 1.00 15.00 H new ATOM 0 HA LEU A 27 -4.659 10.683 -7.105 1.00 15.00 H new ATOM 0 HB2 LEU A 27 -3.783 8.991 -4.742 1.00 15.00 H new ATOM 0 HB3 LEU A 27 -2.735 9.637 -5.989 1.00 15.00 H new ATOM 0 HG LEU A 27 -4.359 11.320 -4.060 1.00 15.00 H new ATOM 0 HD11 LEU A 27 -2.196 11.787 -2.968 1.00 15.00 H new ATOM 0 HD12 LEU A 27 -2.618 10.060 -2.889 1.00 15.00 H new ATOM 0 HD13 LEU A 27 -1.402 10.626 -4.058 1.00 15.00 H new ATOM 0 HD21 LEU A 27 -2.943 13.170 -4.867 1.00 15.00 H new ATOM 0 HD22 LEU A 27 -2.178 12.068 -6.035 1.00 15.00 H new ATOM 0 HD23 LEU A 27 -3.909 12.454 -6.179 1.00 15.00 H new ATOM 397 N GLU A 28 -4.153 8.437 -8.211 1.00 15.00 N ATOM 398 CA GLU A 28 -4.156 7.230 -9.027 1.00 15.00 C ATOM 399 C GLU A 28 -3.423 6.095 -8.323 1.00 15.00 C ATOM 400 O GLU A 28 -2.367 6.298 -7.721 1.00 15.00 O ATOM 401 CB GLU A 28 -3.510 7.497 -10.389 1.00 15.00 C ATOM 402 CG GLU A 28 -4.159 8.637 -11.154 1.00 15.00 C ATOM 403 CD GLU A 28 -3.562 8.831 -12.529 1.00 15.00 C ATOM 404 OE1 GLU A 28 -4.336 8.925 -13.508 1.00 15.00 O ATOM 405 OE2 GLU A 28 -2.319 8.889 -12.645 1.00 15.00 O1- ATOM 0 H GLU A 28 -3.510 9.160 -8.533 1.00 15.00 H new ATOM 0 HA GLU A 28 -5.194 6.934 -9.179 1.00 15.00 H new ATOM 0 HB2 GLU A 28 -2.454 7.723 -10.243 1.00 15.00 H new ATOM 0 HB3 GLU A 28 -3.562 6.590 -10.991 1.00 15.00 H new ATOM 0 HG2 GLU A 28 -5.227 8.443 -11.250 1.00 15.00 H new ATOM 0 HG3 GLU A 28 -4.053 9.559 -10.583 1.00 15.00 H new ATOM 412 N CYS A 29 -3.998 4.908 -8.401 1.00 15.00 N ATOM 413 CA CYS A 29 -3.421 3.731 -7.777 1.00 15.00 C ATOM 414 C CYS A 29 -2.486 3.005 -8.738 1.00 15.00 C ATOM 415 O CYS A 29 -2.757 2.905 -9.940 1.00 15.00 O ATOM 416 CB CYS A 29 -4.539 2.795 -7.320 1.00 15.00 C ATOM 417 SG CYS A 29 -3.978 1.188 -6.713 1.00 15.00 S ATOM 0 H CYS A 29 -4.873 4.733 -8.896 1.00 15.00 H new ATOM 0 HA CYS A 29 -2.836 4.046 -6.913 1.00 15.00 H new ATOM 0 HB2 CYS A 29 -5.107 3.288 -6.531 1.00 15.00 H new ATOM 0 HB3 CYS A 29 -5.223 2.635 -8.153 1.00 15.00 H new ATOM 0 HG CYS A 29 -4.705 0.247 -7.240 1.00 15.00 H new ATOM 423 N GLN A 30 -1.390 2.504 -8.198 1.00 15.00 N ATOM 424 CA GLN A 30 -0.402 1.776 -8.975 1.00 15.00 C ATOM 425 C GLN A 30 -0.775 0.298 -9.048 1.00 15.00 C ATOM 426 O GLN A 30 -1.320 -0.262 -8.095 1.00 15.00 O ATOM 427 CB GLN A 30 0.981 1.932 -8.339 1.00 15.00 C ATOM 428 CG GLN A 30 2.103 1.267 -9.125 1.00 15.00 C ATOM 429 CD GLN A 30 3.331 1.000 -8.280 1.00 15.00 C ATOM 430 OE1 GLN A 30 4.226 1.835 -8.184 1.00 15.00 O ATOM 431 NE2 GLN A 30 3.392 -0.174 -7.674 1.00 15.00 N ATOM 0 H GLN A 30 -1.159 2.590 -7.208 1.00 15.00 H new ATOM 0 HA GLN A 30 -0.379 2.185 -9.985 1.00 15.00 H new ATOM 0 HB2 GLN A 30 1.204 2.994 -8.235 1.00 15.00 H new ATOM 0 HB3 GLN A 30 0.957 1.511 -7.334 1.00 15.00 H new ATOM 0 HG2 GLN A 30 1.742 0.326 -9.541 1.00 15.00 H new ATOM 0 HG3 GLN A 30 2.378 1.903 -9.967 1.00 15.00 H new ATOM 0 HE21 GLN A 30 2.628 -0.842 -7.778 1.00 15.00 H new ATOM 0 HE22 GLN A 30 4.203 -0.412 -7.103 1.00 15.00 H new ATOM 440 N ALA A 31 -0.495 -0.326 -10.180 1.00 15.00 N ATOM 441 CA ALA A 31 -0.794 -1.737 -10.360 1.00 15.00 C ATOM 442 C ALA A 31 0.123 -2.596 -9.505 1.00 15.00 C ATOM 443 O ALA A 31 1.313 -2.303 -9.366 1.00 15.00 O ATOM 444 CB ALA A 31 -0.684 -2.121 -11.826 1.00 15.00 C ATOM 0 H ALA A 31 -0.061 0.122 -10.988 1.00 15.00 H new ATOM 0 HA ALA A 31 -1.819 -1.915 -10.036 1.00 15.00 H new ATOM 0 HB1 ALA A 31 -0.911 -3.181 -11.943 1.00 15.00 H new ATOM 0 HB2 ALA A 31 -1.391 -1.532 -12.410 1.00 15.00 H new ATOM 0 HB3 ALA A 31 0.329 -1.926 -12.178 1.00 15.00 H new ATOM 450 N TRP A 32 -0.440 -3.652 -8.933 1.00 15.00 N ATOM 451 CA TRP A 32 0.315 -4.561 -8.079 1.00 15.00 C ATOM 452 C TRP A 32 1.345 -5.342 -8.894 1.00 15.00 C ATOM 453 O TRP A 32 2.310 -5.873 -8.349 1.00 15.00 O ATOM 454 CB TRP A 32 -0.626 -5.535 -7.357 1.00 15.00 C ATOM 455 CG TRP A 32 -1.652 -4.861 -6.491 1.00 15.00 C ATOM 456 CD1 TRP A 32 -2.917 -4.496 -6.850 1.00 15.00 C ATOM 457 CD2 TRP A 32 -1.505 -4.485 -5.116 1.00 15.00 C ATOM 458 NE1 TRP A 32 -3.563 -3.913 -5.787 1.00 15.00 N ATOM 459 CE2 TRP A 32 -2.720 -3.896 -4.712 1.00 15.00 C ATOM 460 CE3 TRP A 32 -0.469 -4.587 -4.185 1.00 15.00 C ATOM 461 CZ2 TRP A 32 -2.923 -3.412 -3.423 1.00 15.00 C ATOM 462 CZ3 TRP A 32 -0.673 -4.107 -2.905 1.00 15.00 C ATOM 463 CH2 TRP A 32 -1.893 -3.527 -2.534 1.00 15.00 C ATOM 0 H TRP A 32 -1.423 -3.902 -9.046 1.00 15.00 H new ATOM 0 HA TRP A 32 0.839 -3.962 -7.335 1.00 15.00 H new ATOM 0 HB2 TRP A 32 -1.137 -6.148 -8.099 1.00 15.00 H new ATOM 0 HB3 TRP A 32 -0.032 -6.210 -6.741 1.00 15.00 H new ATOM 0 HD1 TRP A 32 -3.348 -4.644 -7.829 1.00 15.00 H new ATOM 0 HE1 TRP A 32 -4.517 -3.552 -5.798 1.00 15.00 H new ATOM 0 HE3 TRP A 32 0.475 -5.033 -4.460 1.00 15.00 H new ATOM 0 HZ2 TRP A 32 -3.862 -2.962 -3.136 1.00 15.00 H new ATOM 0 HZ3 TRP A 32 0.122 -4.180 -2.178 1.00 15.00 H new ATOM 0 HH2 TRP A 32 -2.021 -3.164 -1.525 1.00 15.00 H new ATOM 474 N ASP A 33 1.132 -5.401 -10.204 1.00 15.00 N ATOM 475 CA ASP A 33 2.035 -6.123 -11.091 1.00 15.00 C ATOM 476 C ASP A 33 2.947 -5.163 -11.858 1.00 15.00 C ATOM 477 O ASP A 33 3.740 -5.588 -12.704 1.00 15.00 O ATOM 478 CB ASP A 33 1.239 -6.999 -12.067 1.00 15.00 C ATOM 479 CG ASP A 33 0.646 -6.226 -13.236 1.00 15.00 C ATOM 480 OD1 ASP A 33 0.592 -6.788 -14.351 1.00 15.00 O ATOM 481 OD2 ASP A 33 0.223 -5.064 -13.051 1.00 15.00 O1- ATOM 0 H ASP A 33 0.343 -4.958 -10.674 1.00 15.00 H new ATOM 0 HA ASP A 33 2.666 -6.765 -10.476 1.00 15.00 H new ATOM 0 HB2 ASP A 33 1.891 -7.782 -12.454 1.00 15.00 H new ATOM 0 HB3 ASP A 33 0.434 -7.494 -11.524 1.00 15.00 H new ATOM 486 N SER A 34 2.841 -3.874 -11.561 1.00 15.00 N ATOM 487 CA SER A 34 3.662 -2.871 -12.227 1.00 15.00 C ATOM 488 C SER A 34 5.049 -2.838 -11.609 1.00 15.00 C ATOM 489 O SER A 34 5.211 -3.084 -10.412 1.00 15.00 O ATOM 490 CB SER A 34 3.007 -1.486 -12.146 1.00 15.00 C ATOM 491 OG SER A 34 3.842 -0.480 -12.700 1.00 15.00 O ATOM 0 H SER A 34 2.196 -3.499 -10.865 1.00 15.00 H new ATOM 0 HA SER A 34 3.750 -3.142 -13.279 1.00 15.00 H new ATOM 0 HB2 SER A 34 2.055 -1.502 -12.676 1.00 15.00 H new ATOM 0 HB3 SER A 34 2.789 -1.246 -11.105 1.00 15.00 H new ATOM 0 HG SER A 34 4.212 0.071 -11.979 1.00 15.00 H new ATOM 497 N GLN A 35 6.054 -2.537 -12.423 1.00 15.00 N ATOM 498 CA GLN A 35 7.418 -2.495 -11.932 1.00 15.00 C ATOM 499 C GLN A 35 7.956 -1.067 -11.868 1.00 15.00 C ATOM 500 O GLN A 35 9.125 -0.818 -12.167 1.00 15.00 O ATOM 501 CB GLN A 35 8.328 -3.387 -12.782 1.00 15.00 C ATOM 502 CG GLN A 35 9.656 -3.738 -12.114 1.00 15.00 C ATOM 503 CD GLN A 35 9.500 -4.291 -10.705 1.00 15.00 C ATOM 504 OE1 GLN A 35 10.343 -4.058 -9.837 1.00 15.00 O ATOM 505 NE2 GLN A 35 8.439 -5.046 -10.469 1.00 15.00 N ATOM 0 H GLN A 35 5.948 -2.321 -13.414 1.00 15.00 H new ATOM 0 HA GLN A 35 7.411 -2.882 -10.913 1.00 15.00 H new ATOM 0 HB2 GLN A 35 7.797 -4.309 -13.018 1.00 15.00 H new ATOM 0 HB3 GLN A 35 8.531 -2.885 -13.728 1.00 15.00 H new ATOM 0 HG2 GLN A 35 10.179 -4.471 -12.728 1.00 15.00 H new ATOM 0 HG3 GLN A 35 10.282 -2.847 -12.079 1.00 15.00 H new ATOM 0 HE21 GLN A 35 7.761 -5.218 -11.211 1.00 15.00 H new ATOM 0 HE22 GLN A 35 8.300 -5.455 -9.545 1.00 15.00 H new ATOM 514 N SER A 36 7.101 -0.118 -11.514 1.00 15.00 N ATOM 515 CA SER A 36 7.549 1.252 -11.337 1.00 15.00 C ATOM 516 C SER A 36 8.453 1.227 -10.113 1.00 15.00 C ATOM 517 O SER A 36 8.160 0.469 -9.183 1.00 15.00 O ATOM 518 CB SER A 36 6.349 2.176 -11.127 1.00 15.00 C ATOM 519 OG SER A 36 5.179 1.425 -10.834 1.00 15.00 O ATOM 0 H SER A 36 6.106 -0.270 -11.346 1.00 15.00 H new ATOM 0 HA SER A 36 8.081 1.631 -12.210 1.00 15.00 H new ATOM 0 HB2 SER A 36 6.556 2.868 -10.311 1.00 15.00 H new ATOM 0 HB3 SER A 36 6.186 2.777 -12.022 1.00 15.00 H new ATOM 0 HG SER A 36 4.807 1.720 -9.977 1.00 15.00 H new ATOM 525 N PRO A 37 9.560 1.990 -10.051 1.00 15.00 N ATOM 526 CA PRO A 37 10.423 1.862 -8.888 1.00 15.00 C ATOM 527 C PRO A 37 9.798 2.444 -7.627 1.00 15.00 C ATOM 528 O PRO A 37 9.823 3.652 -7.375 1.00 15.00 O ATOM 529 CB PRO A 37 11.666 2.661 -9.301 1.00 15.00 C ATOM 530 CG PRO A 37 11.189 3.636 -10.326 1.00 15.00 C ATOM 531 CD PRO A 37 10.032 2.978 -11.031 1.00 15.00 C ATOM 0 HA PRO A 37 10.627 0.822 -8.635 1.00 15.00 H new ATOM 0 HB2 PRO A 37 12.105 3.174 -8.445 1.00 15.00 H new ATOM 0 HB3 PRO A 37 12.436 2.006 -9.710 1.00 15.00 H new ATOM 0 HG2 PRO A 37 10.879 4.570 -9.859 1.00 15.00 H new ATOM 0 HG3 PRO A 37 11.985 3.880 -11.030 1.00 15.00 H new ATOM 0 HD2 PRO A 37 9.253 3.697 -11.285 1.00 15.00 H new ATOM 0 HD3 PRO A 37 10.344 2.505 -11.962 1.00 15.00 H new ATOM 539 N HIS A 38 9.227 1.539 -6.858 1.00 15.00 N ATOM 540 CA HIS A 38 8.639 1.830 -5.576 1.00 15.00 C ATOM 541 C HIS A 38 9.299 0.962 -4.526 1.00 15.00 C ATOM 542 O HIS A 38 9.972 -0.013 -4.870 1.00 15.00 O ATOM 543 CB HIS A 38 7.129 1.612 -5.598 1.00 15.00 C ATOM 544 CG HIS A 38 6.367 2.836 -5.213 1.00 15.00 C ATOM 545 ND1 HIS A 38 5.225 3.265 -5.846 1.00 15.00 N ATOM 546 CD2 HIS A 38 6.616 3.744 -4.237 1.00 15.00 C ATOM 547 CE1 HIS A 38 4.825 4.394 -5.250 1.00 15.00 C ATOM 548 NE2 HIS A 38 5.636 4.728 -4.265 1.00 15.00 N ATOM 0 H HIS A 38 9.160 0.555 -7.119 1.00 15.00 H new ATOM 0 HA HIS A 38 8.805 2.880 -5.335 1.00 15.00 H new ATOM 0 HB2 HIS A 38 6.825 1.299 -6.597 1.00 15.00 H new ATOM 0 HB3 HIS A 38 6.873 0.800 -4.918 1.00 15.00 H new ATOM 0 HD1 HIS A 38 4.764 2.804 -6.631 1.00 15.00 H new ATOM 0 HD2 HIS A 38 7.446 3.708 -3.547 1.00 15.00 H new ATOM 0 HE1 HIS A 38 3.951 4.959 -5.538 1.00 15.00 H new ATOM 556 N ALA A 39 9.129 1.286 -3.263 1.00 15.00 N ATOM 557 CA ALA A 39 9.665 0.428 -2.229 1.00 15.00 C ATOM 558 C ALA A 39 8.537 -0.501 -1.793 1.00 15.00 C ATOM 559 O ALA A 39 7.549 -0.045 -1.208 1.00 15.00 O ATOM 560 CB ALA A 39 10.192 1.246 -1.054 1.00 15.00 C ATOM 0 H ALA A 39 8.637 2.116 -2.932 1.00 15.00 H new ATOM 0 HA ALA A 39 10.511 -0.147 -2.606 1.00 15.00 H new ATOM 0 HB1 ALA A 39 10.589 0.575 -0.292 1.00 15.00 H new ATOM 0 HB2 ALA A 39 10.984 1.911 -1.400 1.00 15.00 H new ATOM 0 HB3 ALA A 39 9.381 1.838 -0.630 1.00 15.00 H new ATOM 566 N HIS A 40 8.668 -1.793 -2.083 1.00 15.00 N ATOM 567 CA HIS A 40 7.636 -2.763 -1.725 1.00 15.00 C ATOM 568 C HIS A 40 8.101 -4.197 -1.956 1.00 15.00 C ATOM 569 O HIS A 40 9.242 -4.442 -2.353 1.00 15.00 O ATOM 570 CB HIS A 40 6.339 -2.502 -2.519 1.00 15.00 C ATOM 571 CG HIS A 40 6.446 -2.729 -4.004 1.00 15.00 C ATOM 572 ND1 HIS A 40 7.142 -1.865 -4.813 1.00 15.00 N ATOM 573 CD2 HIS A 40 5.909 -3.716 -4.766 1.00 15.00 C ATOM 574 CE1 HIS A 40 7.015 -2.337 -6.042 1.00 15.00 C ATOM 575 NE2 HIS A 40 6.276 -3.454 -6.060 1.00 15.00 N ATOM 0 H HIS A 40 9.475 -2.192 -2.563 1.00 15.00 H new ATOM 0 HA HIS A 40 7.437 -2.638 -0.661 1.00 15.00 H new ATOM 0 HB2 HIS A 40 5.553 -3.146 -2.124 1.00 15.00 H new ATOM 0 HB3 HIS A 40 6.025 -1.473 -2.346 1.00 15.00 H new ATOM 0 HD2 HIS A 40 5.310 -4.545 -4.420 1.00 15.00 H new ATOM 0 HE1 HIS A 40 7.451 -1.881 -6.918 1.00 15.00 H new ATOM 0 HE2 HIS A 40 6.032 -4.006 -6.882 1.00 15.00 H new ATOM 583 N GLY A 41 7.198 -5.135 -1.694 1.00 15.00 N ATOM 584 CA GLY A 41 7.479 -6.544 -1.884 1.00 15.00 C ATOM 585 C GLY A 41 6.196 -7.344 -1.977 1.00 15.00 C ATOM 586 O GLY A 41 6.111 -8.472 -1.491 1.00 15.00 O ATOM 0 H GLY A 41 6.259 -4.938 -1.347 1.00 15.00 H new ATOM 0 HA2 GLY A 41 8.065 -6.683 -2.792 1.00 15.00 H new ATOM 0 HA3 GLY A 41 8.083 -6.913 -1.055 1.00 15.00 H new ATOM 590 N TYR A 42 5.183 -6.743 -2.592 1.00 15.00 N ATOM 591 CA TYR A 42 3.886 -7.384 -2.742 1.00 15.00 C ATOM 592 C TYR A 42 3.688 -7.868 -4.170 1.00 15.00 C ATOM 593 O TYR A 42 3.512 -7.069 -5.085 1.00 15.00 O ATOM 594 CB TYR A 42 2.765 -6.418 -2.359 1.00 15.00 C ATOM 595 CG TYR A 42 2.844 -5.942 -0.926 1.00 15.00 C ATOM 596 CD1 TYR A 42 3.426 -4.720 -0.612 1.00 15.00 C ATOM 597 CD2 TYR A 42 2.340 -6.714 0.113 1.00 15.00 C ATOM 598 CE1 TYR A 42 3.505 -4.280 0.696 1.00 15.00 C ATOM 599 CE2 TYR A 42 2.413 -6.281 1.422 1.00 15.00 C ATOM 600 CZ TYR A 42 2.996 -5.064 1.707 1.00 15.00 C ATOM 601 OH TYR A 42 3.075 -4.635 3.011 1.00 15.00 O ATOM 0 H TYR A 42 5.238 -5.808 -2.996 1.00 15.00 H new ATOM 0 HA TYR A 42 3.854 -8.245 -2.074 1.00 15.00 H new ATOM 0 HB2 TYR A 42 2.798 -5.554 -3.023 1.00 15.00 H new ATOM 0 HB3 TYR A 42 1.804 -6.907 -2.519 1.00 15.00 H new ATOM 0 HD1 TYR A 42 3.824 -4.103 -1.404 1.00 15.00 H new ATOM 0 HD2 TYR A 42 1.884 -7.668 -0.107 1.00 15.00 H new ATOM 0 HE1 TYR A 42 3.963 -3.328 0.923 1.00 15.00 H new ATOM 0 HE2 TYR A 42 2.016 -6.892 2.219 1.00 15.00 H new ATOM 0 HH TYR A 42 2.194 -4.708 3.433 1.00 15.00 H new ATOM 611 N ILE A 43 3.739 -9.177 -4.350 1.00 15.00 N ATOM 612 CA ILE A 43 3.565 -9.775 -5.667 1.00 15.00 C ATOM 613 C ILE A 43 2.242 -10.531 -5.714 1.00 15.00 C ATOM 614 O ILE A 43 1.963 -11.338 -4.827 1.00 15.00 O ATOM 615 CB ILE A 43 4.722 -10.744 -6.015 1.00 15.00 C ATOM 616 CG1 ILE A 43 6.073 -10.166 -5.569 1.00 15.00 C ATOM 617 CG2 ILE A 43 4.741 -11.041 -7.509 1.00 15.00 C ATOM 618 CD1 ILE A 43 6.491 -8.917 -6.318 1.00 15.00 C ATOM 0 H ILE A 43 3.900 -9.849 -3.600 1.00 15.00 H new ATOM 0 HA ILE A 43 3.567 -8.970 -6.401 1.00 15.00 H new ATOM 0 HB ILE A 43 4.554 -11.677 -5.477 1.00 15.00 H new ATOM 0 HG12 ILE A 43 6.025 -9.939 -4.504 1.00 15.00 H new ATOM 0 HG13 ILE A 43 6.842 -10.928 -5.698 1.00 15.00 H new ATOM 0 HG21 ILE A 43 5.561 -11.723 -7.734 1.00 15.00 H new ATOM 0 HG22 ILE A 43 3.796 -11.500 -7.801 1.00 15.00 H new ATOM 0 HG23 ILE A 43 4.880 -10.112 -8.063 1.00 15.00 H new ATOM 0 HD11 ILE A 43 7.455 -8.573 -5.943 1.00 15.00 H new ATOM 0 HD12 ILE A 43 6.575 -9.141 -7.381 1.00 15.00 H new ATOM 0 HD13 ILE A 43 5.745 -8.137 -6.169 1.00 15.00 H new ATOM 630 N PRO A 44 1.409 -10.275 -6.744 1.00 15.00 N ATOM 631 CA PRO A 44 0.096 -10.928 -6.901 1.00 15.00 C ATOM 632 C PRO A 44 0.163 -12.455 -6.862 1.00 15.00 C ATOM 633 O PRO A 44 -0.803 -13.113 -6.478 1.00 15.00 O ATOM 634 CB PRO A 44 -0.371 -10.451 -8.278 1.00 15.00 C ATOM 635 CG PRO A 44 0.325 -9.157 -8.489 1.00 15.00 C ATOM 636 CD PRO A 44 1.669 -9.308 -7.835 1.00 15.00 C ATOM 0 HA PRO A 44 -0.575 -10.668 -6.082 1.00 15.00 H new ATOM 0 HB2 PRO A 44 -0.112 -11.171 -9.055 1.00 15.00 H new ATOM 0 HB3 PRO A 44 -1.454 -10.327 -8.307 1.00 15.00 H new ATOM 0 HG2 PRO A 44 0.429 -8.937 -9.551 1.00 15.00 H new ATOM 0 HG3 PRO A 44 -0.236 -8.334 -8.046 1.00 15.00 H new ATOM 0 HD2 PRO A 44 2.417 -9.682 -8.534 1.00 15.00 H new ATOM 0 HD3 PRO A 44 2.039 -8.357 -7.451 1.00 15.00 H new ATOM 644 N SER A 45 1.299 -13.013 -7.254 1.00 15.00 N ATOM 645 CA SER A 45 1.480 -14.460 -7.256 1.00 15.00 C ATOM 646 C SER A 45 1.619 -14.999 -5.832 1.00 15.00 C ATOM 647 O SER A 45 1.373 -16.178 -5.572 1.00 15.00 O ATOM 648 CB SER A 45 2.718 -14.819 -8.073 1.00 15.00 C ATOM 649 OG SER A 45 3.053 -13.766 -8.965 1.00 15.00 O ATOM 0 H SER A 45 2.111 -12.486 -7.575 1.00 15.00 H new ATOM 0 HA SER A 45 0.599 -14.918 -7.706 1.00 15.00 H new ATOM 0 HB2 SER A 45 3.556 -15.017 -7.405 1.00 15.00 H new ATOM 0 HB3 SER A 45 2.536 -15.735 -8.635 1.00 15.00 H new ATOM 0 HG SER A 45 3.850 -14.014 -9.479 1.00 15.00 H new ATOM 655 N LYS A 46 2.010 -14.126 -4.916 1.00 15.00 N ATOM 656 CA LYS A 46 2.188 -14.506 -3.523 1.00 15.00 C ATOM 657 C LYS A 46 0.942 -14.180 -2.712 1.00 15.00 C ATOM 658 O LYS A 46 0.842 -14.533 -1.536 1.00 15.00 O ATOM 659 CB LYS A 46 3.408 -13.798 -2.932 1.00 15.00 C ATOM 660 CG LYS A 46 4.730 -14.387 -3.400 1.00 15.00 C ATOM 661 CD LYS A 46 5.866 -13.382 -3.297 1.00 15.00 C ATOM 662 CE LYS A 46 6.098 -12.930 -1.864 1.00 15.00 C ATOM 663 NZ LYS A 46 7.138 -11.871 -1.774 1.00 15.00 N1+ ATOM 0 H LYS A 46 2.211 -13.146 -5.114 1.00 15.00 H new ATOM 0 HA LYS A 46 2.352 -15.583 -3.479 1.00 15.00 H new ATOM 0 HB2 LYS A 46 3.373 -12.742 -3.201 1.00 15.00 H new ATOM 0 HB3 LYS A 46 3.359 -13.851 -1.844 1.00 15.00 H new ATOM 0 HG2 LYS A 46 4.968 -15.266 -2.802 1.00 15.00 H new ATOM 0 HG3 LYS A 46 4.633 -14.721 -4.433 1.00 15.00 H new ATOM 0 HD2 LYS A 46 6.780 -13.827 -3.689 1.00 15.00 H new ATOM 0 HD3 LYS A 46 5.641 -12.515 -3.919 1.00 15.00 H new ATOM 0 HE2 LYS A 46 5.163 -12.556 -1.446 1.00 15.00 H new ATOM 0 HE3 LYS A 46 6.398 -13.785 -1.259 1.00 15.00 H new ATOM 0 HZ1 LYS A 46 6.771 -11.070 -1.222 1.00 15.00 H new ATOM 0 HZ2 LYS A 46 7.984 -12.254 -1.306 1.00 15.00 H new ATOM 0 HZ3 LYS A 46 7.388 -11.547 -2.730 1.00 15.00 H new ATOM 677 N PHE A 47 -0.012 -13.510 -3.349 1.00 15.00 N ATOM 678 CA PHE A 47 -1.256 -13.142 -2.684 1.00 15.00 C ATOM 679 C PHE A 47 -2.475 -13.390 -3.583 1.00 15.00 C ATOM 680 O PHE A 47 -3.256 -12.471 -3.840 1.00 15.00 O ATOM 681 CB PHE A 47 -1.215 -11.675 -2.250 1.00 15.00 C ATOM 682 CG PHE A 47 -0.659 -11.462 -0.869 1.00 15.00 C ATOM 683 CD1 PHE A 47 -1.445 -11.688 0.250 1.00 15.00 C ATOM 684 CD2 PHE A 47 0.645 -11.034 -0.689 1.00 15.00 C ATOM 685 CE1 PHE A 47 -0.938 -11.493 1.521 1.00 15.00 C ATOM 686 CE2 PHE A 47 1.158 -10.837 0.580 1.00 15.00 C ATOM 687 CZ PHE A 47 0.365 -11.067 1.686 1.00 15.00 C ATOM 0 H PHE A 47 0.052 -13.211 -4.322 1.00 15.00 H new ATOM 0 HA PHE A 47 -1.356 -13.775 -1.802 1.00 15.00 H new ATOM 0 HB2 PHE A 47 -0.613 -11.112 -2.964 1.00 15.00 H new ATOM 0 HB3 PHE A 47 -2.224 -11.266 -2.291 1.00 15.00 H new ATOM 0 HD1 PHE A 47 -2.465 -12.020 0.127 1.00 15.00 H new ATOM 0 HD2 PHE A 47 1.270 -10.852 -1.551 1.00 15.00 H new ATOM 0 HE1 PHE A 47 -1.561 -11.674 2.385 1.00 15.00 H new ATOM 0 HE2 PHE A 47 2.178 -10.504 0.705 1.00 15.00 H new ATOM 0 HZ PHE A 47 0.763 -10.914 2.678 1.00 15.00 H new ATOM 697 N PRO A 48 -2.670 -14.636 -4.070 1.00 15.00 N ATOM 698 CA PRO A 48 -3.812 -14.967 -4.921 1.00 15.00 C ATOM 699 C PRO A 48 -5.063 -15.243 -4.090 1.00 15.00 C ATOM 700 O PRO A 48 -6.162 -15.419 -4.617 1.00 15.00 O ATOM 701 CB PRO A 48 -3.350 -16.231 -5.641 1.00 15.00 C ATOM 702 CG PRO A 48 -2.410 -16.901 -4.696 1.00 15.00 C ATOM 703 CD PRO A 48 -1.801 -15.814 -3.840 1.00 15.00 C ATOM 0 HA PRO A 48 -4.086 -14.158 -5.598 1.00 15.00 H new ATOM 0 HB2 PRO A 48 -4.194 -16.878 -5.881 1.00 15.00 H new ATOM 0 HB3 PRO A 48 -2.856 -15.989 -6.582 1.00 15.00 H new ATOM 0 HG2 PRO A 48 -2.936 -17.629 -4.079 1.00 15.00 H new ATOM 0 HG3 PRO A 48 -1.637 -17.443 -5.240 1.00 15.00 H new ATOM 0 HD2 PRO A 48 -1.786 -16.098 -2.788 1.00 15.00 H new ATOM 0 HD3 PRO A 48 -0.770 -15.610 -4.130 1.00 15.00 H new ATOM 711 N ASN A 49 -4.868 -15.268 -2.778 1.00 15.00 N ATOM 712 CA ASN A 49 -5.945 -15.515 -1.831 1.00 15.00 C ATOM 713 C ASN A 49 -6.751 -14.243 -1.587 1.00 15.00 C ATOM 714 O ASN A 49 -7.924 -14.298 -1.219 1.00 15.00 O ATOM 715 CB ASN A 49 -5.387 -16.054 -0.500 1.00 15.00 C ATOM 716 CG ASN A 49 -4.095 -15.372 -0.064 1.00 15.00 C ATOM 717 OD1 ASN A 49 -3.839 -14.218 -0.397 1.00 15.00 O ATOM 718 ND2 ASN A 49 -3.268 -16.088 0.683 1.00 15.00 N ATOM 0 H ASN A 49 -3.959 -15.118 -2.341 1.00 15.00 H new ATOM 0 HA ASN A 49 -6.606 -16.268 -2.261 1.00 15.00 H new ATOM 0 HB2 ASN A 49 -6.138 -15.925 0.279 1.00 15.00 H new ATOM 0 HB3 ASN A 49 -5.209 -17.125 -0.596 1.00 15.00 H new ATOM 0 HD21 ASN A 49 -2.387 -15.683 1.000 1.00 15.00 H new ATOM 0 HD22 ASN A 49 -3.512 -17.044 0.941 1.00 15.00 H new ATOM 725 N LYS A 50 -6.120 -13.095 -1.787 1.00 15.00 N ATOM 726 CA LYS A 50 -6.790 -11.814 -1.593 1.00 15.00 C ATOM 727 C LYS A 50 -7.187 -11.212 -2.936 1.00 15.00 C ATOM 728 O LYS A 50 -7.617 -10.059 -3.013 1.00 15.00 O ATOM 729 CB LYS A 50 -5.888 -10.846 -0.821 1.00 15.00 C ATOM 730 CG LYS A 50 -5.409 -11.389 0.516 1.00 15.00 C ATOM 731 CD LYS A 50 -6.566 -11.727 1.442 1.00 15.00 C ATOM 732 CE LYS A 50 -6.071 -12.203 2.796 1.00 15.00 C ATOM 733 NZ LYS A 50 -7.021 -13.148 3.438 1.00 15.00 N1+ ATOM 0 H LYS A 50 -5.147 -13.023 -2.083 1.00 15.00 H new ATOM 0 HA LYS A 50 -7.694 -11.984 -1.008 1.00 15.00 H new ATOM 0 HB2 LYS A 50 -5.021 -10.603 -1.436 1.00 15.00 H new ATOM 0 HB3 LYS A 50 -6.430 -9.915 -0.652 1.00 15.00 H new ATOM 0 HG2 LYS A 50 -4.806 -12.281 0.349 1.00 15.00 H new ATOM 0 HG3 LYS A 50 -4.764 -10.653 0.996 1.00 15.00 H new ATOM 0 HD2 LYS A 50 -7.198 -10.849 1.572 1.00 15.00 H new ATOM 0 HD3 LYS A 50 -7.185 -12.500 0.987 1.00 15.00 H new ATOM 0 HE2 LYS A 50 -5.102 -12.688 2.677 1.00 15.00 H new ATOM 0 HE3 LYS A 50 -5.919 -11.343 3.449 1.00 15.00 H new ATOM 0 HZ1 LYS A 50 -6.599 -13.526 4.310 1.00 15.00 H new ATOM 0 HZ2 LYS A 50 -7.904 -12.649 3.668 1.00 15.00 H new ATOM 0 HZ3 LYS A 50 -7.226 -13.931 2.785 1.00 15.00 H new ATOM 747 N ASN A 51 -7.030 -12.018 -3.985 1.00 15.00 N ATOM 748 CA ASN A 51 -7.372 -11.627 -5.352 1.00 15.00 C ATOM 749 C ASN A 51 -6.678 -10.330 -5.768 1.00 15.00 C ATOM 750 O ASN A 51 -7.334 -9.353 -6.140 1.00 15.00 O ATOM 751 CB ASN A 51 -8.894 -11.487 -5.509 1.00 15.00 C ATOM 752 CG ASN A 51 -9.337 -11.617 -6.956 1.00 15.00 C ATOM 753 OD1 ASN A 51 -8.693 -12.300 -7.753 1.00 15.00 O ATOM 754 ND2 ASN A 51 -10.437 -10.968 -7.309 1.00 15.00 N ATOM 0 H ASN A 51 -6.660 -12.966 -3.910 1.00 15.00 H new ATOM 0 HA ASN A 51 -7.016 -12.418 -6.012 1.00 15.00 H new ATOM 0 HB2 ASN A 51 -9.391 -12.249 -4.909 1.00 15.00 H new ATOM 0 HB3 ASN A 51 -9.210 -10.519 -5.120 1.00 15.00 H new ATOM 0 HD21 ASN A 51 -10.777 -11.025 -8.269 1.00 15.00 H new ATOM 0 HD22 ASN A 51 -10.944 -10.412 -6.621 1.00 15.00 H new ATOM 761 N LEU A 52 -5.350 -10.312 -5.689 1.00 15.00 N ATOM 762 CA LEU A 52 -4.592 -9.133 -6.090 1.00 15.00 C ATOM 763 C LEU A 52 -4.465 -9.102 -7.607 1.00 15.00 C ATOM 764 O LEU A 52 -3.759 -9.925 -8.191 1.00 15.00 O ATOM 765 CB LEU A 52 -3.197 -9.144 -5.457 1.00 15.00 C ATOM 766 CG LEU A 52 -3.018 -8.243 -4.231 1.00 15.00 C ATOM 767 CD1 LEU A 52 -3.855 -8.748 -3.067 1.00 15.00 C ATOM 768 CD2 LEU A 52 -1.549 -8.166 -3.837 1.00 15.00 C ATOM 0 H LEU A 52 -4.783 -11.091 -5.355 1.00 15.00 H new ATOM 0 HA LEU A 52 -5.121 -8.245 -5.746 1.00 15.00 H new ATOM 0 HB2 LEU A 52 -2.956 -10.168 -5.171 1.00 15.00 H new ATOM 0 HB3 LEU A 52 -2.472 -8.845 -6.214 1.00 15.00 H new ATOM 0 HG LEU A 52 -3.360 -7.241 -4.489 1.00 15.00 H new ATOM 0 HD11 LEU A 52 -3.713 -8.094 -2.206 1.00 15.00 H new ATOM 0 HD12 LEU A 52 -4.907 -8.752 -3.350 1.00 15.00 H new ATOM 0 HD13 LEU A 52 -3.545 -9.760 -2.808 1.00 15.00 H new ATOM 0 HD21 LEU A 52 -1.440 -7.522 -2.964 1.00 15.00 H new ATOM 0 HD22 LEU A 52 -1.183 -9.165 -3.599 1.00 15.00 H new ATOM 0 HD23 LEU A 52 -0.971 -7.756 -4.665 1.00 15.00 H new ATOM 780 N LYS A 53 -5.139 -8.155 -8.244 1.00 15.00 N ATOM 781 CA LYS A 53 -5.109 -8.045 -9.696 1.00 15.00 C ATOM 782 C LYS A 53 -5.131 -6.582 -10.127 1.00 15.00 C ATOM 783 O LYS A 53 -5.780 -5.748 -9.487 1.00 15.00 O ATOM 784 CB LYS A 53 -6.309 -8.777 -10.326 1.00 15.00 C ATOM 785 CG LYS A 53 -6.401 -10.259 -9.983 1.00 15.00 C ATOM 786 CD LYS A 53 -5.288 -11.068 -10.634 1.00 15.00 C ATOM 787 CE LYS A 53 -5.167 -12.446 -10.004 1.00 15.00 C ATOM 788 NZ LYS A 53 -3.992 -13.202 -10.520 1.00 15.00 N1+ ATOM 0 H LYS A 53 -5.713 -7.452 -7.779 1.00 15.00 H new ATOM 0 HA LYS A 53 -4.185 -8.508 -10.043 1.00 15.00 H new ATOM 0 HB2 LYS A 53 -7.227 -8.286 -10.004 1.00 15.00 H new ATOM 0 HB3 LYS A 53 -6.254 -8.671 -11.409 1.00 15.00 H new ATOM 0 HG2 LYS A 53 -6.354 -10.384 -8.901 1.00 15.00 H new ATOM 0 HG3 LYS A 53 -7.367 -10.646 -10.307 1.00 15.00 H new ATOM 0 HD2 LYS A 53 -5.486 -11.170 -11.701 1.00 15.00 H new ATOM 0 HD3 LYS A 53 -4.342 -10.536 -10.534 1.00 15.00 H new ATOM 0 HE2 LYS A 53 -5.083 -12.342 -8.922 1.00 15.00 H new ATOM 0 HE3 LYS A 53 -6.076 -13.014 -10.200 1.00 15.00 H new ATOM 0 HZ1 LYS A 53 -3.951 -14.135 -10.062 1.00 15.00 H new ATOM 0 HZ2 LYS A 53 -4.083 -13.325 -11.549 1.00 15.00 H new ATOM 0 HZ3 LYS A 53 -3.121 -12.675 -10.310 1.00 15.00 H new ATOM 802 N LYS A 54 -4.408 -6.291 -11.207 1.00 15.00 N ATOM 803 CA LYS A 54 -4.329 -4.945 -11.779 1.00 15.00 C ATOM 804 C LYS A 54 -3.941 -3.900 -10.730 1.00 15.00 C ATOM 805 O LYS A 54 -3.006 -4.102 -9.955 1.00 15.00 O ATOM 806 CB LYS A 54 -5.659 -4.565 -12.448 1.00 15.00 C ATOM 807 CG LYS A 54 -6.178 -5.601 -13.437 1.00 15.00 C ATOM 808 CD LYS A 54 -5.198 -5.839 -14.576 1.00 15.00 C ATOM 809 CE LYS A 54 -5.694 -6.921 -15.525 1.00 15.00 C ATOM 810 NZ LYS A 54 -4.689 -7.250 -16.570 1.00 15.00 N1+ ATOM 0 H LYS A 54 -3.857 -6.984 -11.713 1.00 15.00 H new ATOM 0 HA LYS A 54 -3.543 -4.958 -12.534 1.00 15.00 H new ATOM 0 HB2 LYS A 54 -6.411 -4.409 -11.674 1.00 15.00 H new ATOM 0 HB3 LYS A 54 -5.534 -3.615 -12.967 1.00 15.00 H new ATOM 0 HG2 LYS A 54 -6.363 -6.540 -12.915 1.00 15.00 H new ATOM 0 HG3 LYS A 54 -7.133 -5.268 -13.843 1.00 15.00 H new ATOM 0 HD2 LYS A 54 -5.048 -4.911 -15.128 1.00 15.00 H new ATOM 0 HD3 LYS A 54 -4.229 -6.128 -14.169 1.00 15.00 H new ATOM 0 HE2 LYS A 54 -5.933 -7.820 -14.957 1.00 15.00 H new ATOM 0 HE3 LYS A 54 -6.617 -6.590 -16.001 1.00 15.00 H new ATOM 0 HZ1 LYS A 54 -5.067 -7.991 -17.194 1.00 15.00 H new ATOM 0 HZ2 LYS A 54 -4.479 -6.399 -17.130 1.00 15.00 H new ATOM 0 HZ3 LYS A 54 -3.817 -7.591 -16.118 1.00 15.00 H new ATOM 824 N ASN A 55 -4.656 -2.784 -10.717 1.00 15.00 N ATOM 825 CA ASN A 55 -4.384 -1.708 -9.773 1.00 15.00 C ATOM 826 C ASN A 55 -5.599 -1.430 -8.900 1.00 15.00 C ATOM 827 O ASN A 55 -5.821 -0.302 -8.465 1.00 15.00 O ATOM 828 CB ASN A 55 -3.961 -0.427 -10.513 1.00 15.00 C ATOM 829 CG ASN A 55 -5.021 0.106 -11.465 1.00 15.00 C ATOM 830 OD1 ASN A 55 -5.790 -0.653 -12.058 1.00 15.00 O ATOM 831 ND2 ASN A 55 -5.056 1.420 -11.627 1.00 15.00 N ATOM 0 H ASN A 55 -5.432 -2.599 -11.352 1.00 15.00 H new ATOM 0 HA ASN A 55 -3.563 -2.028 -9.131 1.00 15.00 H new ATOM 0 HB2 ASN A 55 -3.723 0.344 -9.780 1.00 15.00 H new ATOM 0 HB3 ASN A 55 -3.048 -0.627 -11.074 1.00 15.00 H new ATOM 0 HD21 ASN A 55 -5.737 1.838 -12.261 1.00 15.00 H new ATOM 0 HD22 ASN A 55 -4.402 2.014 -11.118 1.00 15.00 H new ATOM 838 N TYR A 56 -6.377 -2.469 -8.629 1.00 15.00 N ATOM 839 CA TYR A 56 -7.568 -2.326 -7.802 1.00 15.00 C ATOM 840 C TYR A 56 -7.191 -2.331 -6.325 1.00 15.00 C ATOM 841 O TYR A 56 -6.248 -3.020 -5.923 1.00 15.00 O ATOM 842 CB TYR A 56 -8.567 -3.453 -8.093 1.00 15.00 C ATOM 843 CG TYR A 56 -8.911 -3.613 -9.561 1.00 15.00 C ATOM 844 CD1 TYR A 56 -9.005 -4.876 -10.134 1.00 15.00 C ATOM 845 CD2 TYR A 56 -9.137 -2.507 -10.374 1.00 15.00 C ATOM 846 CE1 TYR A 56 -9.316 -5.032 -11.473 1.00 15.00 C ATOM 847 CE2 TYR A 56 -9.448 -2.655 -11.713 1.00 15.00 C ATOM 848 CZ TYR A 56 -9.537 -3.919 -12.257 1.00 15.00 C ATOM 849 OH TYR A 56 -9.847 -4.069 -13.591 1.00 15.00 O ATOM 0 H TYR A 56 -6.206 -3.416 -8.968 1.00 15.00 H new ATOM 0 HA TYR A 56 -8.039 -1.373 -8.043 1.00 15.00 H new ATOM 0 HB2 TYR A 56 -8.156 -4.392 -7.723 1.00 15.00 H new ATOM 0 HB3 TYR A 56 -9.484 -3.264 -7.535 1.00 15.00 H new ATOM 0 HD1 TYR A 56 -8.832 -5.750 -9.524 1.00 15.00 H new ATOM 0 HD2 TYR A 56 -9.068 -1.515 -9.952 1.00 15.00 H new ATOM 0 HE1 TYR A 56 -9.385 -6.021 -11.902 1.00 15.00 H new ATOM 0 HE2 TYR A 56 -9.620 -1.785 -12.330 1.00 15.00 H new ATOM 0 HH TYR A 56 -9.973 -3.187 -13.999 1.00 15.00 H new ATOM 859 N CYS A 57 -7.910 -1.545 -5.532 1.00 15.00 N ATOM 860 CA CYS A 57 -7.666 -1.465 -4.095 1.00 15.00 C ATOM 861 C CYS A 57 -7.917 -2.825 -3.446 1.00 15.00 C ATOM 862 O CYS A 57 -8.932 -3.470 -3.719 1.00 15.00 O ATOM 863 CB CYS A 57 -8.568 -0.398 -3.461 1.00 15.00 C ATOM 864 SG CYS A 57 -7.869 0.389 -1.991 1.00 15.00 S ATOM 0 H CYS A 57 -8.671 -0.951 -5.861 1.00 15.00 H new ATOM 0 HA CYS A 57 -6.626 -1.183 -3.929 1.00 15.00 H new ATOM 0 HB2 CYS A 57 -8.780 0.371 -4.204 1.00 15.00 H new ATOM 0 HB3 CYS A 57 -9.521 -0.856 -3.195 1.00 15.00 H new ATOM 0 HG CYS A 57 -6.859 1.131 -2.335 1.00 15.00 H new ATOM 870 N ARG A 58 -6.988 -3.264 -2.604 1.00 15.00 N ATOM 871 CA ARG A 58 -7.106 -4.557 -1.936 1.00 15.00 C ATOM 872 C ARG A 58 -6.781 -4.425 -0.452 1.00 15.00 C ATOM 873 O ARG A 58 -6.283 -3.392 -0.006 1.00 15.00 O ATOM 874 CB ARG A 58 -6.147 -5.575 -2.567 1.00 15.00 C ATOM 875 CG ARG A 58 -6.335 -5.784 -4.059 1.00 15.00 C ATOM 876 CD ARG A 58 -7.492 -6.720 -4.368 1.00 15.00 C ATOM 877 NE ARG A 58 -8.713 -5.985 -4.688 1.00 15.00 N ATOM 878 CZ ARG A 58 -9.682 -6.455 -5.466 1.00 15.00 C ATOM 879 NH1 ARG A 58 -9.581 -7.662 -6.002 1.00 15.00 N1+ ATOM 880 NH2 ARG A 58 -10.752 -5.712 -5.706 1.00 15.00 N ATOM 0 H ARG A 58 -6.143 -2.743 -2.367 1.00 15.00 H new ATOM 0 HA ARG A 58 -8.133 -4.902 -2.053 1.00 15.00 H new ATOM 0 HB2 ARG A 58 -5.123 -5.249 -2.386 1.00 15.00 H new ATOM 0 HB3 ARG A 58 -6.271 -6.533 -2.061 1.00 15.00 H new ATOM 0 HG2 ARG A 58 -6.511 -4.821 -4.539 1.00 15.00 H new ATOM 0 HG3 ARG A 58 -5.418 -6.190 -4.485 1.00 15.00 H new ATOM 0 HD2 ARG A 58 -7.225 -7.364 -5.206 1.00 15.00 H new ATOM 0 HD3 ARG A 58 -7.673 -7.370 -3.512 1.00 15.00 H new ATOM 0 HE ARG A 58 -8.829 -5.053 -4.290 1.00 15.00 H new ATOM 0 HH11 ARG A 58 -8.757 -8.234 -5.818 1.00 15.00 H new ATOM 0 HH12 ARG A 58 -10.327 -8.019 -6.599 1.00 15.00 H new ATOM 0 HH21 ARG A 58 -10.830 -4.782 -5.294 1.00 15.00 H new ATOM 0 HH22 ARG A 58 -11.498 -6.070 -6.303 1.00 15.00 H new ATOM 894 N ASN A 59 -7.053 -5.480 0.301 1.00 15.00 N ATOM 895 CA ASN A 59 -6.766 -5.501 1.729 1.00 15.00 C ATOM 896 C ASN A 59 -6.093 -6.823 2.098 1.00 15.00 C ATOM 897 O ASN A 59 -6.742 -7.770 2.539 1.00 15.00 O ATOM 898 CB ASN A 59 -8.045 -5.310 2.547 1.00 15.00 C ATOM 899 CG ASN A 59 -7.756 -5.035 4.013 1.00 15.00 C ATOM 900 OD1 ASN A 59 -6.719 -5.436 4.540 1.00 15.00 O ATOM 901 ND2 ASN A 59 -8.675 -4.360 4.682 1.00 15.00 N ATOM 0 H ASN A 59 -7.475 -6.338 -0.055 1.00 15.00 H new ATOM 0 HA ASN A 59 -6.092 -4.676 1.961 1.00 15.00 H new ATOM 0 HB2 ASN A 59 -8.620 -4.483 2.131 1.00 15.00 H new ATOM 0 HB3 ASN A 59 -8.665 -6.203 2.462 1.00 15.00 H new ATOM 0 HD21 ASN A 59 -8.537 -4.154 5.672 1.00 15.00 H new ATOM 0 HD22 ASN A 59 -9.522 -4.045 4.209 1.00 15.00 H new ATOM 908 N PRO A 60 -4.772 -6.913 1.901 1.00 15.00 N ATOM 909 CA PRO A 60 -4.018 -8.127 2.192 1.00 15.00 C ATOM 910 C PRO A 60 -3.571 -8.243 3.648 1.00 15.00 C ATOM 911 O PRO A 60 -2.900 -9.204 4.015 1.00 15.00 O ATOM 912 CB PRO A 60 -2.809 -7.996 1.270 1.00 15.00 C ATOM 913 CG PRO A 60 -2.583 -6.526 1.121 1.00 15.00 C ATOM 914 CD PRO A 60 -3.913 -5.847 1.357 1.00 15.00 C ATOM 0 HA PRO A 60 -4.621 -9.021 2.033 1.00 15.00 H new ATOM 0 HB2 PRO A 60 -1.934 -8.487 1.696 1.00 15.00 H new ATOM 0 HB3 PRO A 60 -2.998 -8.465 0.304 1.00 15.00 H new ATOM 0 HG2 PRO A 60 -1.839 -6.176 1.837 1.00 15.00 H new ATOM 0 HG3 PRO A 60 -2.203 -6.293 0.126 1.00 15.00 H new ATOM 0 HD2 PRO A 60 -3.818 -5.017 2.057 1.00 15.00 H new ATOM 0 HD3 PRO A 60 -4.322 -5.439 0.432 1.00 15.00 H new ATOM 922 N ASP A 61 -3.942 -7.275 4.474 1.00 15.00 N ATOM 923 CA ASP A 61 -3.560 -7.299 5.889 1.00 15.00 C ATOM 924 C ASP A 61 -4.764 -7.581 6.768 1.00 15.00 C ATOM 925 O ASP A 61 -4.621 -7.944 7.937 1.00 15.00 O ATOM 926 CB ASP A 61 -2.934 -5.964 6.311 1.00 15.00 C ATOM 927 CG ASP A 61 -2.454 -5.977 7.756 1.00 15.00 C ATOM 928 OD1 ASP A 61 -2.917 -5.135 8.551 1.00 15.00 O ATOM 929 OD2 ASP A 61 -1.617 -6.834 8.105 1.00 15.00 O1- ATOM 0 H ASP A 61 -4.502 -6.468 4.198 1.00 15.00 H new ATOM 0 HA ASP A 61 -2.826 -8.095 6.015 1.00 15.00 H new ATOM 0 HB2 ASP A 61 -2.094 -5.736 5.654 1.00 15.00 H new ATOM 0 HB3 ASP A 61 -3.665 -5.166 6.181 1.00 15.00 H new ATOM 934 N ARG A 62 -5.949 -7.432 6.181 1.00 15.00 N ATOM 935 CA ARG A 62 -7.204 -7.618 6.896 1.00 15.00 C ATOM 936 C ARG A 62 -7.317 -6.524 7.948 1.00 15.00 C ATOM 937 O ARG A 62 -7.927 -6.701 9.003 1.00 15.00 O ATOM 938 CB ARG A 62 -7.290 -9.010 7.537 1.00 15.00 C ATOM 939 CG ARG A 62 -6.916 -10.145 6.595 1.00 15.00 C ATOM 940 CD ARG A 62 -6.969 -11.495 7.291 1.00 15.00 C ATOM 941 NE ARG A 62 -6.170 -11.513 8.513 1.00 15.00 N ATOM 942 CZ ARG A 62 -6.676 -11.688 9.735 1.00 15.00 C ATOM 943 NH1 ARG A 62 -7.981 -11.860 9.902 1.00 15.00 N1+ ATOM 944 NH2 ARG A 62 -5.877 -11.689 10.789 1.00 15.00 N ATOM 0 H ARG A 62 -6.064 -7.180 5.199 1.00 15.00 H new ATOM 0 HA ARG A 62 -8.035 -7.549 6.194 1.00 15.00 H new ATOM 0 HB2 ARG A 62 -6.633 -9.041 8.406 1.00 15.00 H new ATOM 0 HB3 ARG A 62 -8.305 -9.171 7.899 1.00 15.00 H new ATOM 0 HG2 ARG A 62 -7.595 -10.149 5.742 1.00 15.00 H new ATOM 0 HG3 ARG A 62 -5.913 -9.977 6.203 1.00 15.00 H new ATOM 0 HD2 ARG A 62 -8.004 -11.739 7.531 1.00 15.00 H new ATOM 0 HD3 ARG A 62 -6.609 -12.267 6.611 1.00 15.00 H new ATOM 0 HE ARG A 62 -5.162 -11.384 8.427 1.00 15.00 H new ATOM 0 HH11 ARG A 62 -8.603 -11.859 9.094 1.00 15.00 H new ATOM 0 HH12 ARG A 62 -8.362 -11.993 10.839 1.00 15.00 H new ATOM 0 HH21 ARG A 62 -4.873 -11.556 10.668 1.00 15.00 H new ATOM 0 HH22 ARG A 62 -6.265 -11.823 11.723 1.00 15.00 H new ATOM 958 N ASP A 63 -6.713 -5.383 7.627 1.00 15.00 N ATOM 959 CA ASP A 63 -6.691 -4.224 8.505 1.00 15.00 C ATOM 960 C ASP A 63 -8.029 -3.500 8.491 1.00 15.00 C ATOM 961 O ASP A 63 -9.017 -4.000 7.945 1.00 15.00 O ATOM 962 CB ASP A 63 -5.555 -3.267 8.111 1.00 15.00 C ATOM 963 CG ASP A 63 -5.879 -2.416 6.899 1.00 15.00 C ATOM 964 OD1 ASP A 63 -6.365 -1.277 7.086 1.00 15.00 O ATOM 965 OD2 ASP A 63 -5.634 -2.877 5.767 1.00 15.00 O1- ATOM 0 H ASP A 63 -6.223 -5.239 6.744 1.00 15.00 H new ATOM 0 HA ASP A 63 -6.510 -4.576 9.520 1.00 15.00 H new ATOM 0 HB2 ASP A 63 -5.330 -2.614 8.955 1.00 15.00 H new ATOM 0 HB3 ASP A 63 -4.655 -3.847 7.908 1.00 15.00 H new ATOM 970 N LEU A 64 -8.048 -2.335 9.126 1.00 15.00 N ATOM 971 CA LEU A 64 -9.244 -1.511 9.239 1.00 15.00 C ATOM 972 C LEU A 64 -9.928 -1.263 7.893 1.00 15.00 C ATOM 973 O LEU A 64 -11.151 -1.347 7.808 1.00 15.00 O ATOM 974 CB LEU A 64 -8.892 -0.173 9.895 1.00 15.00 C ATOM 975 CG LEU A 64 -8.159 -0.281 11.237 1.00 15.00 C ATOM 976 CD1 LEU A 64 -7.845 1.098 11.794 1.00 15.00 C ATOM 977 CD2 LEU A 64 -8.980 -1.079 12.238 1.00 15.00 C ATOM 0 H LEU A 64 -7.228 -1.933 9.580 1.00 15.00 H new ATOM 0 HA LEU A 64 -9.951 -2.062 9.859 1.00 15.00 H new ATOM 0 HB2 LEU A 64 -8.273 0.401 9.205 1.00 15.00 H new ATOM 0 HB3 LEU A 64 -9.811 0.394 10.045 1.00 15.00 H new ATOM 0 HG LEU A 64 -7.219 -0.806 11.064 1.00 15.00 H new ATOM 0 HD11 LEU A 64 -7.325 0.996 12.746 1.00 15.00 H new ATOM 0 HD12 LEU A 64 -7.212 1.639 11.091 1.00 15.00 H new ATOM 0 HD13 LEU A 64 -8.773 1.650 11.945 1.00 15.00 H new ATOM 0 HD21 LEU A 64 -8.440 -1.143 13.183 1.00 15.00 H new ATOM 0 HD22 LEU A 64 -9.938 -0.584 12.400 1.00 15.00 H new ATOM 0 HD23 LEU A 64 -9.151 -2.083 11.850 1.00 15.00 H new ATOM 989 N ARG A 65 -9.162 -0.966 6.848 1.00 15.00 N ATOM 990 CA ARG A 65 -9.758 -0.702 5.539 1.00 15.00 C ATOM 991 C ARG A 65 -8.744 -0.863 4.408 1.00 15.00 C ATOM 992 O ARG A 65 -7.556 -0.604 4.589 1.00 15.00 O ATOM 993 CB ARG A 65 -10.367 0.705 5.503 1.00 15.00 C ATOM 994 CG ARG A 65 -9.413 1.800 5.939 1.00 15.00 C ATOM 995 CD ARG A 65 -10.089 3.158 5.896 1.00 15.00 C ATOM 996 NE ARG A 65 -9.414 4.135 6.747 1.00 15.00 N ATOM 997 CZ ARG A 65 -9.915 5.332 7.047 1.00 15.00 C ATOM 998 NH1 ARG A 65 -11.095 5.706 6.565 1.00 15.00 N1+ ATOM 999 NH2 ARG A 65 -9.234 6.151 7.840 1.00 15.00 N ATOM 0 H ARG A 65 -8.144 -0.902 6.877 1.00 15.00 H new ATOM 0 HA ARG A 65 -10.546 -1.440 5.386 1.00 15.00 H new ATOM 0 HB2 ARG A 65 -10.708 0.916 4.490 1.00 15.00 H new ATOM 0 HB3 ARG A 65 -11.247 0.726 6.146 1.00 15.00 H new ATOM 0 HG2 ARG A 65 -9.059 1.598 6.950 1.00 15.00 H new ATOM 0 HG3 ARG A 65 -8.538 1.805 5.290 1.00 15.00 H new ATOM 0 HD2 ARG A 65 -10.105 3.522 4.869 1.00 15.00 H new ATOM 0 HD3 ARG A 65 -11.127 3.056 6.214 1.00 15.00 H new ATOM 0 HE ARG A 65 -8.504 3.885 7.135 1.00 15.00 H new ATOM 0 HH11 ARG A 65 -11.623 5.075 5.962 1.00 15.00 H new ATOM 0 HH12 ARG A 65 -11.473 6.624 6.798 1.00 15.00 H new ATOM 0 HH21 ARG A 65 -8.331 5.862 8.217 1.00 15.00 H new ATOM 0 HH22 ARG A 65 -9.614 7.069 8.072 1.00 15.00 H new ATOM 1013 N PRO A 66 -9.217 -1.287 3.220 1.00 15.00 N ATOM 1014 CA PRO A 66 -8.363 -1.496 2.040 1.00 15.00 C ATOM 1015 C PRO A 66 -7.454 -0.311 1.709 1.00 15.00 C ATOM 1016 O PRO A 66 -7.821 0.858 1.889 1.00 15.00 O ATOM 1017 CB PRO A 66 -9.371 -1.715 0.912 1.00 15.00 C ATOM 1018 CG PRO A 66 -10.580 -2.258 1.581 1.00 15.00 C ATOM 1019 CD PRO A 66 -10.632 -1.611 2.938 1.00 15.00 C ATOM 0 HA PRO A 66 -7.672 -2.323 2.203 1.00 15.00 H new ATOM 0 HB2 PRO A 66 -9.592 -0.782 0.393 1.00 15.00 H new ATOM 0 HB3 PRO A 66 -8.985 -2.411 0.167 1.00 15.00 H new ATOM 0 HG2 PRO A 66 -11.478 -2.031 1.007 1.00 15.00 H new ATOM 0 HG3 PRO A 66 -10.523 -3.343 1.668 1.00 15.00 H new ATOM 0 HD2 PRO A 66 -11.255 -0.717 2.933 1.00 15.00 H new ATOM 0 HD3 PRO A 66 -11.047 -2.284 3.688 1.00 15.00 H new ATOM 1027 N TRP A 67 -6.272 -0.632 1.205 1.00 15.00 N ATOM 1028 CA TRP A 67 -5.278 0.365 0.838 1.00 15.00 C ATOM 1029 C TRP A 67 -4.651 -0.001 -0.501 1.00 15.00 C ATOM 1030 O TRP A 67 -4.916 -1.076 -1.048 1.00 15.00 O ATOM 1031 CB TRP A 67 -4.196 0.467 1.920 1.00 15.00 C ATOM 1032 CG TRP A 67 -3.531 -0.841 2.240 1.00 15.00 C ATOM 1033 CD1 TRP A 67 -4.040 -1.853 3.001 1.00 15.00 C ATOM 1034 CD2 TRP A 67 -2.231 -1.273 1.814 1.00 15.00 C ATOM 1035 NE1 TRP A 67 -3.142 -2.888 3.073 1.00 15.00 N ATOM 1036 CE2 TRP A 67 -2.022 -2.557 2.352 1.00 15.00 C ATOM 1037 CE3 TRP A 67 -1.226 -0.699 1.031 1.00 15.00 C ATOM 1038 CZ2 TRP A 67 -0.851 -3.276 2.129 1.00 15.00 C ATOM 1039 CZ3 TRP A 67 -0.062 -1.414 0.812 1.00 15.00 C ATOM 1040 CH2 TRP A 67 0.116 -2.689 1.360 1.00 15.00 C ATOM 0 H TRP A 67 -5.975 -1.593 1.039 1.00 15.00 H new ATOM 0 HA TRP A 67 -5.768 1.335 0.749 1.00 15.00 H new ATOM 0 HB2 TRP A 67 -3.437 1.179 1.596 1.00 15.00 H new ATOM 0 HB3 TRP A 67 -4.642 0.869 2.830 1.00 15.00 H new ATOM 0 HD1 TRP A 67 -5.009 -1.841 3.478 1.00 15.00 H new ATOM 0 HE1 TRP A 67 -3.284 -3.762 3.580 1.00 15.00 H new ATOM 0 HE3 TRP A 67 -1.356 0.285 0.605 1.00 15.00 H new ATOM 0 HZ2 TRP A 67 -0.711 -4.262 2.548 1.00 15.00 H new ATOM 0 HZ3 TRP A 67 0.722 -0.981 0.208 1.00 15.00 H new ATOM 0 HH2 TRP A 67 1.037 -3.221 1.172 1.00 15.00 H new ATOM 1051 N CYS A 68 -3.824 0.888 -1.031 1.00 15.00 N ATOM 1052 CA CYS A 68 -3.176 0.644 -2.309 1.00 15.00 C ATOM 1053 C CYS A 68 -2.018 1.606 -2.526 1.00 15.00 C ATOM 1054 O CYS A 68 -1.976 2.683 -1.927 1.00 15.00 O ATOM 1055 CB CYS A 68 -4.191 0.793 -3.439 1.00 15.00 C ATOM 1056 SG CYS A 68 -5.220 2.276 -3.307 1.00 15.00 S ATOM 0 H CYS A 68 -3.587 1.780 -0.598 1.00 15.00 H new ATOM 0 HA CYS A 68 -2.781 -0.372 -2.305 1.00 15.00 H new ATOM 0 HB2 CYS A 68 -3.660 0.814 -4.391 1.00 15.00 H new ATOM 0 HB3 CYS A 68 -4.836 -0.085 -3.453 1.00 15.00 H new ATOM 0 HG CYS A 68 -6.048 2.320 -4.308 1.00 15.00 H new ATOM 1062 N PHE A 69 -1.079 1.207 -3.377 1.00 15.00 N ATOM 1063 CA PHE A 69 0.074 2.036 -3.690 1.00 15.00 C ATOM 1064 C PHE A 69 -0.315 3.105 -4.702 1.00 15.00 C ATOM 1065 O PHE A 69 -1.181 2.885 -5.548 1.00 15.00 O ATOM 1066 CB PHE A 69 1.226 1.183 -4.235 1.00 15.00 C ATOM 1067 CG PHE A 69 1.970 0.418 -3.174 1.00 15.00 C ATOM 1068 CD1 PHE A 69 3.049 0.991 -2.515 1.00 15.00 C ATOM 1069 CD2 PHE A 69 1.593 -0.870 -2.838 1.00 15.00 C ATOM 1070 CE1 PHE A 69 3.733 0.294 -1.540 1.00 15.00 C ATOM 1071 CE2 PHE A 69 2.276 -1.574 -1.861 1.00 15.00 C ATOM 1072 CZ PHE A 69 3.348 -0.989 -1.212 1.00 15.00 C ATOM 0 H PHE A 69 -1.096 0.310 -3.863 1.00 15.00 H new ATOM 0 HA PHE A 69 0.412 2.519 -2.773 1.00 15.00 H new ATOM 0 HB2 PHE A 69 0.830 0.479 -4.967 1.00 15.00 H new ATOM 0 HB3 PHE A 69 1.927 1.830 -4.762 1.00 15.00 H new ATOM 0 HD1 PHE A 69 3.357 1.995 -2.768 1.00 15.00 H new ATOM 0 HD2 PHE A 69 0.757 -1.331 -3.343 1.00 15.00 H new ATOM 0 HE1 PHE A 69 4.569 0.753 -1.034 1.00 15.00 H new ATOM 0 HE2 PHE A 69 1.972 -2.579 -1.606 1.00 15.00 H new ATOM 0 HZ PHE A 69 3.883 -1.536 -0.450 1.00 15.00 H new ATOM 1082 N THR A 70 0.317 4.257 -4.609 1.00 15.00 N ATOM 1083 CA THR A 70 0.026 5.360 -5.508 1.00 15.00 C ATOM 1084 C THR A 70 1.107 5.504 -6.576 1.00 15.00 C ATOM 1085 O THR A 70 2.169 4.897 -6.483 1.00 15.00 O ATOM 1086 CB THR A 70 -0.099 6.676 -4.718 1.00 15.00 C ATOM 1087 OG1 THR A 70 0.425 6.501 -3.392 1.00 15.00 O ATOM 1088 CG2 THR A 70 -1.550 7.121 -4.632 1.00 15.00 C ATOM 0 H THR A 70 1.039 4.456 -3.917 1.00 15.00 H new ATOM 0 HA THR A 70 -0.921 5.143 -6.003 1.00 15.00 H new ATOM 0 HB THR A 70 0.472 7.443 -5.242 1.00 15.00 H new ATOM 0 HG1 THR A 70 1.288 6.959 -3.318 1.00 15.00 H new ATOM 0 HG21 THR A 70 -1.612 8.053 -4.069 1.00 15.00 H new ATOM 0 HG22 THR A 70 -1.943 7.277 -5.637 1.00 15.00 H new ATOM 0 HG23 THR A 70 -2.137 6.353 -4.128 1.00 15.00 H new ATOM 1096 N THR A 71 0.826 6.294 -7.603 1.00 15.00 N ATOM 1097 CA THR A 71 1.785 6.520 -8.673 1.00 15.00 C ATOM 1098 C THR A 71 2.518 7.845 -8.475 1.00 15.00 C ATOM 1099 O THR A 71 3.104 8.392 -9.410 1.00 15.00 O ATOM 1100 CB THR A 71 1.084 6.526 -10.041 1.00 15.00 C ATOM 1101 OG1 THR A 71 -0.227 7.092 -9.906 1.00 15.00 O ATOM 1102 CG2 THR A 71 0.971 5.119 -10.606 1.00 15.00 C ATOM 0 H THR A 71 -0.059 6.789 -7.717 1.00 15.00 H new ATOM 0 HA THR A 71 2.508 5.705 -8.645 1.00 15.00 H new ATOM 0 HB THR A 71 1.681 7.126 -10.728 1.00 15.00 H new ATOM 0 HG1 THR A 71 -0.333 7.827 -10.545 1.00 15.00 H new ATOM 0 HG21 THR A 71 0.471 5.155 -11.574 1.00 15.00 H new ATOM 0 HG22 THR A 71 1.968 4.695 -10.728 1.00 15.00 H new ATOM 0 HG23 THR A 71 0.393 4.498 -9.922 1.00 15.00 H new ATOM 1110 N ASP A 72 2.477 8.357 -7.251 1.00 15.00 N ATOM 1111 CA ASP A 72 3.128 9.622 -6.922 1.00 15.00 C ATOM 1112 C ASP A 72 4.357 9.363 -6.058 1.00 15.00 C ATOM 1113 O ASP A 72 4.238 8.829 -4.963 1.00 15.00 O ATOM 1114 CB ASP A 72 2.156 10.555 -6.187 1.00 15.00 C ATOM 1115 CG ASP A 72 1.852 11.818 -6.973 1.00 15.00 C ATOM 1116 OD1 ASP A 72 2.119 12.926 -6.458 1.00 15.00 O ATOM 1117 OD2 ASP A 72 1.346 11.712 -8.111 1.00 15.00 O1- ATOM 0 H ASP A 72 1.998 7.915 -6.466 1.00 15.00 H new ATOM 0 HA ASP A 72 3.436 10.106 -7.849 1.00 15.00 H new ATOM 0 HB2 ASP A 72 1.226 10.022 -5.989 1.00 15.00 H new ATOM 0 HB3 ASP A 72 2.580 10.826 -5.220 1.00 15.00 H new ATOM 1122 N PRO A 73 5.550 9.756 -6.533 1.00 15.00 N ATOM 1123 CA PRO A 73 6.821 9.540 -5.811 1.00 15.00 C ATOM 1124 C PRO A 73 6.845 10.089 -4.374 1.00 15.00 C ATOM 1125 O PRO A 73 7.655 9.656 -3.553 1.00 15.00 O ATOM 1126 CB PRO A 73 7.844 10.284 -6.672 1.00 15.00 C ATOM 1127 CG PRO A 73 7.248 10.333 -8.034 1.00 15.00 C ATOM 1128 CD PRO A 73 5.763 10.430 -7.833 1.00 15.00 C ATOM 0 HA PRO A 73 7.011 8.474 -5.685 1.00 15.00 H new ATOM 0 HB2 PRO A 73 8.028 11.287 -6.287 1.00 15.00 H new ATOM 0 HB3 PRO A 73 8.803 9.765 -6.680 1.00 15.00 H new ATOM 0 HG2 PRO A 73 7.623 11.190 -8.593 1.00 15.00 H new ATOM 0 HG3 PRO A 73 7.507 9.442 -8.605 1.00 15.00 H new ATOM 0 HD2 PRO A 73 5.427 11.467 -7.808 1.00 15.00 H new ATOM 0 HD3 PRO A 73 5.215 9.937 -8.636 1.00 15.00 H new ATOM 1136 N ASN A 74 5.964 11.036 -4.070 1.00 15.00 N ATOM 1137 CA ASN A 74 5.912 11.634 -2.733 1.00 15.00 C ATOM 1138 C ASN A 74 5.014 10.829 -1.790 1.00 15.00 C ATOM 1139 O ASN A 74 5.025 11.042 -0.577 1.00 15.00 O ATOM 1140 CB ASN A 74 5.424 13.084 -2.813 1.00 15.00 C ATOM 1141 CG ASN A 74 4.111 13.210 -3.558 1.00 15.00 C ATOM 1142 OD1 ASN A 74 3.035 13.075 -2.976 1.00 15.00 O ATOM 1143 ND2 ASN A 74 4.186 13.487 -4.849 1.00 15.00 N ATOM 0 H ASN A 74 5.277 11.408 -4.726 1.00 15.00 H new ATOM 0 HA ASN A 74 6.924 11.619 -2.328 1.00 15.00 H new ATOM 0 HB2 ASN A 74 5.306 13.481 -1.805 1.00 15.00 H new ATOM 0 HB3 ASN A 74 6.180 13.692 -3.309 1.00 15.00 H new ATOM 0 HD21 ASN A 74 3.333 13.596 -5.398 1.00 15.00 H new ATOM 0 HD22 ASN A 74 5.097 13.592 -5.296 1.00 15.00 H new ATOM 1150 N LYS A 75 4.248 9.900 -2.344 1.00 15.00 N ATOM 1151 CA LYS A 75 3.346 9.075 -1.553 1.00 15.00 C ATOM 1152 C LYS A 75 3.409 7.630 -2.028 1.00 15.00 C ATOM 1153 O LYS A 75 2.929 7.309 -3.113 1.00 15.00 O ATOM 1154 CB LYS A 75 1.910 9.600 -1.655 1.00 15.00 C ATOM 1155 CG LYS A 75 1.179 9.655 -0.322 1.00 15.00 C ATOM 1156 CD LYS A 75 1.754 10.732 0.583 1.00 15.00 C ATOM 1157 CE LYS A 75 0.669 11.654 1.118 1.00 15.00 C ATOM 1158 NZ LYS A 75 0.044 11.135 2.365 1.00 15.00 N1+ ATOM 0 H LYS A 75 4.233 9.698 -3.344 1.00 15.00 H new ATOM 0 HA LYS A 75 3.659 9.120 -0.510 1.00 15.00 H new ATOM 0 HB2 LYS A 75 1.929 10.599 -2.090 1.00 15.00 H new ATOM 0 HB3 LYS A 75 1.349 8.965 -2.340 1.00 15.00 H new ATOM 0 HG2 LYS A 75 0.120 9.849 -0.494 1.00 15.00 H new ATOM 0 HG3 LYS A 75 1.249 8.686 0.173 1.00 15.00 H new ATOM 0 HD2 LYS A 75 2.279 10.265 1.417 1.00 15.00 H new ATOM 0 HD3 LYS A 75 2.489 11.317 0.031 1.00 15.00 H new ATOM 0 HE2 LYS A 75 1.096 12.638 1.312 1.00 15.00 H new ATOM 0 HE3 LYS A 75 -0.100 11.784 0.357 1.00 15.00 H new ATOM 0 HZ1 LYS A 75 -0.409 11.918 2.878 1.00 15.00 H new ATOM 0 HZ2 LYS A 75 -0.671 10.419 2.123 1.00 15.00 H new ATOM 0 HZ3 LYS A 75 0.775 10.704 2.967 1.00 15.00 H new ATOM 1172 N ARG A 76 3.996 6.761 -1.216 1.00 15.00 N ATOM 1173 CA ARG A 76 4.128 5.357 -1.583 1.00 15.00 C ATOM 1174 C ARG A 76 2.762 4.687 -1.667 1.00 15.00 C ATOM 1175 O ARG A 76 2.414 4.101 -2.690 1.00 15.00 O ATOM 1176 CB ARG A 76 5.036 4.632 -0.588 1.00 15.00 C ATOM 1177 CG ARG A 76 6.396 5.294 -0.444 1.00 15.00 C ATOM 1178 CD ARG A 76 7.499 4.283 -0.175 1.00 15.00 C ATOM 1179 NE ARG A 76 7.545 3.873 1.228 1.00 15.00 N ATOM 1180 CZ ARG A 76 8.669 3.758 1.936 1.00 15.00 C ATOM 1181 NH1 ARG A 76 9.847 4.037 1.387 1.00 15.00 N1+ ATOM 1182 NH2 ARG A 76 8.614 3.345 3.190 1.00 15.00 N ATOM 0 H ARG A 76 4.386 7.001 -0.305 1.00 15.00 H new ATOM 0 HA ARG A 76 4.587 5.299 -2.570 1.00 15.00 H new ATOM 0 HB2 ARG A 76 4.548 4.599 0.386 1.00 15.00 H new ATOM 0 HB3 ARG A 76 5.171 3.600 -0.911 1.00 15.00 H new ATOM 0 HG2 ARG A 76 6.627 5.848 -1.354 1.00 15.00 H new ATOM 0 HG3 ARG A 76 6.362 6.018 0.370 1.00 15.00 H new ATOM 0 HD2 ARG A 76 7.346 3.405 -0.803 1.00 15.00 H new ATOM 0 HD3 ARG A 76 8.460 4.713 -0.457 1.00 15.00 H new ATOM 0 HE ARG A 76 6.662 3.662 1.694 1.00 15.00 H new ATOM 0 HH11 ARG A 76 9.897 4.342 0.415 1.00 15.00 H new ATOM 0 HH12 ARG A 76 10.701 3.946 1.938 1.00 15.00 H new ATOM 0 HH21 ARG A 76 7.714 3.116 3.612 1.00 15.00 H new ATOM 0 HH22 ARG A 76 9.471 3.255 3.736 1.00 15.00 H new ATOM 1196 N TRP A 77 1.987 4.791 -0.601 1.00 15.00 N ATOM 1197 CA TRP A 77 0.653 4.211 -0.571 1.00 15.00 C ATOM 1198 C TRP A 77 -0.267 5.073 0.279 1.00 15.00 C ATOM 1199 O TRP A 77 0.195 5.869 1.105 1.00 15.00 O ATOM 1200 CB TRP A 77 0.682 2.762 -0.056 1.00 15.00 C ATOM 1201 CG TRP A 77 1.304 2.598 1.291 1.00 15.00 C ATOM 1202 CD1 TRP A 77 2.625 2.401 1.558 1.00 15.00 C ATOM 1203 CD2 TRP A 77 0.629 2.602 2.551 1.00 15.00 C ATOM 1204 NE1 TRP A 77 2.817 2.290 2.912 1.00 15.00 N ATOM 1205 CE2 TRP A 77 1.606 2.412 3.544 1.00 15.00 C ATOM 1206 CE3 TRP A 77 -0.707 2.752 2.940 1.00 15.00 C ATOM 1207 CZ2 TRP A 77 1.294 2.367 4.897 1.00 15.00 C ATOM 1208 CZ3 TRP A 77 -1.016 2.708 4.284 1.00 15.00 C ATOM 1209 CH2 TRP A 77 -0.019 2.518 5.250 1.00 15.00 C ATOM 0 H TRP A 77 2.258 5.272 0.257 1.00 15.00 H new ATOM 0 HA TRP A 77 0.267 4.184 -1.590 1.00 15.00 H new ATOM 0 HB2 TRP A 77 -0.339 2.382 -0.020 1.00 15.00 H new ATOM 0 HB3 TRP A 77 1.227 2.146 -0.772 1.00 15.00 H new ATOM 0 HD1 TRP A 77 3.406 2.341 0.814 1.00 15.00 H new ATOM 0 HE1 TRP A 77 3.714 2.141 3.373 1.00 15.00 H new ATOM 0 HE3 TRP A 77 -1.482 2.899 2.202 1.00 15.00 H new ATOM 0 HZ2 TRP A 77 2.060 2.218 5.643 1.00 15.00 H new ATOM 0 HZ3 TRP A 77 -2.043 2.822 4.597 1.00 15.00 H new ATOM 0 HH2 TRP A 77 -0.293 2.490 6.294 1.00 15.00 H new ATOM 1220 N GLU A 78 -1.564 4.921 0.071 1.00 15.00 N ATOM 1221 CA GLU A 78 -2.550 5.693 0.805 1.00 15.00 C ATOM 1222 C GLU A 78 -3.762 4.847 1.161 1.00 15.00 C ATOM 1223 O GLU A 78 -3.895 3.704 0.720 1.00 15.00 O ATOM 1224 CB GLU A 78 -2.992 6.908 -0.013 1.00 15.00 C ATOM 1225 CG GLU A 78 -2.367 8.211 0.451 1.00 15.00 C ATOM 1226 CD GLU A 78 -2.630 8.495 1.918 1.00 15.00 C ATOM 1227 OE1 GLU A 78 -1.798 9.178 2.550 1.00 15.00 O ATOM 1228 OE2 GLU A 78 -3.672 8.044 2.444 1.00 15.00 O1- ATOM 0 H GLU A 78 -1.959 4.266 -0.604 1.00 15.00 H new ATOM 0 HA GLU A 78 -2.083 6.031 1.730 1.00 15.00 H new ATOM 0 HB2 GLU A 78 -2.736 6.744 -1.060 1.00 15.00 H new ATOM 0 HB3 GLU A 78 -4.077 6.996 0.039 1.00 15.00 H new ATOM 0 HG2 GLU A 78 -1.291 8.175 0.279 1.00 15.00 H new ATOM 0 HG3 GLU A 78 -2.759 9.032 -0.150 1.00 15.00 H new ATOM 1235 N TYR A 79 -4.650 5.432 1.953 1.00 15.00 N ATOM 1236 CA TYR A 79 -5.865 4.763 2.387 1.00 15.00 C ATOM 1237 C TYR A 79 -7.033 5.108 1.467 1.00 15.00 C ATOM 1238 O TYR A 79 -7.004 6.117 0.756 1.00 15.00 O ATOM 1239 CB TYR A 79 -6.223 5.183 3.817 1.00 15.00 C ATOM 1240 CG TYR A 79 -5.375 4.550 4.895 1.00 15.00 C ATOM 1241 CD1 TYR A 79 -4.117 5.051 5.210 1.00 15.00 C ATOM 1242 CD2 TYR A 79 -5.844 3.463 5.617 1.00 15.00 C ATOM 1243 CE1 TYR A 79 -3.350 4.479 6.209 1.00 15.00 C ATOM 1244 CE2 TYR A 79 -5.084 2.884 6.614 1.00 15.00 C ATOM 1245 CZ TYR A 79 -3.841 3.397 6.910 1.00 15.00 C ATOM 1246 OH TYR A 79 -3.085 2.817 7.903 1.00 15.00 O ATOM 0 H TYR A 79 -4.547 6.382 2.311 1.00 15.00 H new ATOM 0 HA TYR A 79 -5.683 3.689 2.352 1.00 15.00 H new ATOM 0 HB2 TYR A 79 -6.135 6.267 3.895 1.00 15.00 H new ATOM 0 HB3 TYR A 79 -7.268 4.934 4.003 1.00 15.00 H new ATOM 0 HD1 TYR A 79 -3.732 5.901 4.666 1.00 15.00 H new ATOM 0 HD2 TYR A 79 -6.822 3.062 5.395 1.00 15.00 H new ATOM 0 HE1 TYR A 79 -2.373 4.877 6.439 1.00 15.00 H new ATOM 0 HE2 TYR A 79 -5.463 2.032 7.159 1.00 15.00 H new ATOM 0 HH TYR A 79 -3.580 2.068 8.296 1.00 15.00 H new ATOM 1256 N CYS A 80 -8.053 4.268 1.474 1.00 15.00 N ATOM 1257 CA CYS A 80 -9.241 4.504 0.673 1.00 15.00 C ATOM 1258 C CYS A 80 -10.456 4.597 1.592 1.00 15.00 C ATOM 1259 O CYS A 80 -10.568 3.839 2.557 1.00 15.00 O ATOM 1260 CB CYS A 80 -9.428 3.387 -0.356 1.00 15.00 C ATOM 1261 SG CYS A 80 -10.445 3.856 -1.777 1.00 15.00 S ATOM 0 H CYS A 80 -8.082 3.412 2.028 1.00 15.00 H new ATOM 0 HA CYS A 80 -9.128 5.442 0.130 1.00 15.00 H new ATOM 0 HB2 CYS A 80 -8.449 3.068 -0.713 1.00 15.00 H new ATOM 0 HB3 CYS A 80 -9.883 2.527 0.135 1.00 15.00 H new ATOM 0 HG CYS A 80 -9.676 4.152 -2.782 1.00 15.00 H new ATOM 1267 N ASP A 81 -11.349 5.538 1.316 1.00 15.00 N ATOM 1268 CA ASP A 81 -12.539 5.709 2.141 1.00 15.00 C ATOM 1269 C ASP A 81 -13.718 4.959 1.541 1.00 15.00 C ATOM 1270 O ASP A 81 -14.170 5.272 0.437 1.00 15.00 O ATOM 1271 CB ASP A 81 -12.891 7.187 2.303 1.00 15.00 C ATOM 1272 CG ASP A 81 -13.965 7.400 3.354 1.00 15.00 C ATOM 1273 OD1 ASP A 81 -13.666 7.229 4.555 1.00 15.00 O ATOM 1274 OD2 ASP A 81 -15.113 7.740 2.986 1.00 15.00 O1- ATOM 0 H ASP A 81 -11.274 6.190 0.535 1.00 15.00 H new ATOM 0 HA ASP A 81 -12.320 5.297 3.126 1.00 15.00 H new ATOM 0 HB2 ASP A 81 -11.997 7.745 2.579 1.00 15.00 H new ATOM 0 HB3 ASP A 81 -13.233 7.586 1.348 1.00 15.00 H new ATOM 1279 N ILE A 82 -14.205 3.967 2.265 1.00 15.00 N ATOM 1280 CA ILE A 82 -15.328 3.162 1.810 1.00 15.00 C ATOM 1281 C ILE A 82 -16.437 3.169 2.857 1.00 15.00 C ATOM 1282 O ILE A 82 -16.161 3.005 4.048 1.00 15.00 O ATOM 1283 CB ILE A 82 -14.889 1.703 1.539 1.00 15.00 C ATOM 1284 CG1 ILE A 82 -13.630 1.672 0.666 1.00 15.00 C ATOM 1285 CG2 ILE A 82 -16.010 0.911 0.882 1.00 15.00 C ATOM 1286 CD1 ILE A 82 -13.044 0.288 0.494 1.00 15.00 C ATOM 0 H ILE A 82 -13.838 3.697 3.178 1.00 15.00 H new ATOM 0 HA ILE A 82 -15.698 3.596 0.881 1.00 15.00 H new ATOM 0 HB ILE A 82 -14.659 1.237 2.497 1.00 15.00 H new ATOM 0 HG12 ILE A 82 -13.869 2.080 -0.316 1.00 15.00 H new ATOM 0 HG13 ILE A 82 -12.876 2.324 1.107 1.00 15.00 H new ATOM 0 HG21 ILE A 82 -15.676 -0.111 0.702 1.00 15.00 H new ATOM 0 HG22 ILE A 82 -16.880 0.898 1.539 1.00 15.00 H new ATOM 0 HG23 ILE A 82 -16.278 1.378 -0.066 1.00 15.00 H new ATOM 0 HD11 ILE A 82 -12.156 0.345 -0.135 1.00 15.00 H new ATOM 0 HD12 ILE A 82 -12.773 -0.116 1.469 1.00 15.00 H new ATOM 0 HD13 ILE A 82 -13.781 -0.363 0.024 1.00 15.00 H new ATOM 1298 N PRO A 83 -17.698 3.398 2.440 1.00 15.00 N ATOM 1299 CA PRO A 83 -18.838 3.399 3.360 1.00 15.00 C ATOM 1300 C PRO A 83 -19.057 2.015 3.969 1.00 15.00 C ATOM 1301 O PRO A 83 -19.253 1.031 3.254 1.00 15.00 O ATOM 1302 CB PRO A 83 -20.023 3.792 2.469 1.00 15.00 C ATOM 1303 CG PRO A 83 -19.593 3.486 1.077 1.00 15.00 C ATOM 1304 CD PRO A 83 -18.105 3.681 1.049 1.00 15.00 C ATOM 0 HA PRO A 83 -18.695 4.075 4.203 1.00 15.00 H new ATOM 0 HB2 PRO A 83 -20.918 3.230 2.736 1.00 15.00 H new ATOM 0 HB3 PRO A 83 -20.265 4.849 2.582 1.00 15.00 H new ATOM 0 HG2 PRO A 83 -19.857 2.465 0.803 1.00 15.00 H new ATOM 0 HG3 PRO A 83 -20.086 4.146 0.363 1.00 15.00 H new ATOM 0 HD2 PRO A 83 -17.624 3.003 0.344 1.00 15.00 H new ATOM 0 HD3 PRO A 83 -17.838 4.695 0.750 1.00 15.00 H new ATOM 1312 N ARG A 84 -19.030 1.948 5.289 1.00 15.00 N ATOM 1313 CA ARG A 84 -19.206 0.688 5.994 1.00 15.00 C ATOM 1314 C ARG A 84 -20.604 0.581 6.583 1.00 15.00 C ATOM 1315 O ARG A 84 -21.319 1.577 6.694 1.00 15.00 O ATOM 1316 CB ARG A 84 -18.154 0.543 7.097 1.00 15.00 C ATOM 1317 CG ARG A 84 -17.802 1.854 7.784 1.00 15.00 C ATOM 1318 CD ARG A 84 -16.669 1.684 8.779 1.00 15.00 C ATOM 1319 NE ARG A 84 -16.125 2.978 9.196 1.00 15.00 N ATOM 1320 CZ ARG A 84 -16.560 3.680 10.243 1.00 15.00 C ATOM 1321 NH1 ARG A 84 -17.550 3.223 10.996 1.00 15.00 N1+ ATOM 1322 NH2 ARG A 84 -16.017 4.856 10.523 1.00 15.00 N ATOM 0 H ARG A 84 -18.887 2.754 5.897 1.00 15.00 H new ATOM 0 HA ARG A 84 -19.078 -0.121 5.275 1.00 15.00 H new ATOM 0 HB2 ARG A 84 -18.519 -0.162 7.844 1.00 15.00 H new ATOM 0 HB3 ARG A 84 -17.249 0.113 6.669 1.00 15.00 H new ATOM 0 HG2 ARG A 84 -17.519 2.593 7.034 1.00 15.00 H new ATOM 0 HG3 ARG A 84 -18.681 2.242 8.298 1.00 15.00 H new ATOM 0 HD2 ARG A 84 -17.029 1.140 9.653 1.00 15.00 H new ATOM 0 HD3 ARG A 84 -15.878 1.082 8.332 1.00 15.00 H new ATOM 0 HE ARG A 84 -15.360 3.370 8.647 1.00 15.00 H new ATOM 0 HH11 ARG A 84 -17.986 2.327 10.777 1.00 15.00 H new ATOM 0 HH12 ARG A 84 -17.876 3.767 11.795 1.00 15.00 H new ATOM 0 HH21 ARG A 84 -15.267 5.224 9.938 1.00 15.00 H new ATOM 0 HH22 ARG A 84 -16.349 5.393 11.324 1.00 15.00 H new ATOM 1336 N CYS A 85 -20.992 -0.636 6.938 1.00 15.00 N ATOM 1337 CA CYS A 85 -22.302 -0.888 7.523 1.00 15.00 C ATOM 1338 C CYS A 85 -22.340 -0.395 8.967 1.00 15.00 C ATOM 1339 O CYS A 85 -21.318 -0.381 9.654 1.00 15.00 O ATOM 1340 CB CYS A 85 -22.624 -2.384 7.469 1.00 15.00 C ATOM 1341 SG CYS A 85 -22.311 -3.144 5.856 1.00 15.00 S ATOM 0 H CYS A 85 -20.414 -1.469 6.830 1.00 15.00 H new ATOM 0 HA CYS A 85 -23.052 -0.345 6.948 1.00 15.00 H new ATOM 0 HB2 CYS A 85 -22.032 -2.901 8.224 1.00 15.00 H new ATOM 0 HB3 CYS A 85 -23.672 -2.530 7.731 1.00 15.00 H new ATOM 0 HG CYS A 85 -21.195 -2.688 5.371 1.00 15.00 H new ATOM 1347 N ALA A 86 -23.511 0.023 9.414 1.00 15.00 N ATOM 1348 CA ALA A 86 -23.674 0.514 10.771 1.00 15.00 C ATOM 1349 C ALA A 86 -23.733 -0.641 11.758 1.00 15.00 C ATOM 1350 O ALA A 86 -23.404 -0.485 12.935 1.00 15.00 O ATOM 1351 CB ALA A 86 -24.925 1.368 10.874 1.00 15.00 C ATOM 0 H ALA A 86 -24.365 0.032 8.856 1.00 15.00 H new ATOM 0 HA ALA A 86 -22.810 1.130 11.021 1.00 15.00 H new ATOM 0 HB1 ALA A 86 -25.035 1.730 11.896 1.00 15.00 H new ATOM 0 HB2 ALA A 86 -24.843 2.217 10.196 1.00 15.00 H new ATOM 0 HB3 ALA A 86 -25.796 0.771 10.604 1.00 15.00 H new ATOM 1357 N ALA A 87 -24.152 -1.798 11.278 1.00 15.00 N ATOM 1358 CA ALA A 87 -24.246 -2.976 12.115 1.00 15.00 C ATOM 1359 C ALA A 87 -23.080 -3.913 11.841 1.00 15.00 C ATOM 1360 O ALA A 87 -23.160 -4.708 10.877 1.00 15.00 O ATOM 1361 CB ALA A 87 -25.569 -3.684 11.885 1.00 15.00 C ATOM 1362 OXT ALA A 87 -22.082 -3.843 12.581 1.00 15.00 O1- ATOM 0 H ALA A 87 -24.433 -1.945 10.309 1.00 15.00 H new ATOM 0 HA ALA A 87 -24.200 -2.667 13.159 1.00 15.00 H new ATOM 0 HB1 ALA A 87 -25.624 -4.567 12.521 1.00 15.00 H new ATOM 0 HB2 ALA A 87 -26.390 -3.009 12.128 1.00 15.00 H new ATOM 0 HB3 ALA A 87 -25.644 -3.984 10.840 1.00 15.00 H new ATOM 1369 N GLY B 101 20.429 4.153 -13.069 1.00 15.00 N ATOM 1370 CA GLY B 101 19.336 3.235 -13.465 1.00 15.00 C ATOM 1371 C GLY B 101 17.977 3.723 -13.010 1.00 15.00 C ATOM 1372 O GLY B 101 17.040 3.788 -13.807 1.00 15.00 O ATOM 0 HA2 GLY B 101 19.334 3.123 -14.549 1.00 15.00 H new ATOM 0 HA3 GLY B 101 19.524 2.248 -13.043 1.00 15.00 H new ATOM 1378 N SER B 102 17.865 4.075 -11.733 1.00 15.00 N ATOM 1379 CA SER B 102 16.608 4.560 -11.182 1.00 15.00 C ATOM 1380 C SER B 102 16.862 5.383 -9.916 1.00 15.00 C ATOM 1381 O SER B 102 17.920 6.002 -9.772 1.00 15.00 O ATOM 1382 CB SER B 102 15.680 3.375 -10.893 1.00 15.00 C ATOM 1383 OG SER B 102 16.358 2.360 -10.172 1.00 15.00 O ATOM 0 H SER B 102 18.631 4.033 -11.061 1.00 15.00 H new ATOM 0 HA SER B 102 16.123 5.210 -11.910 1.00 15.00 H new ATOM 0 HB2 SER B 102 14.817 3.716 -10.322 1.00 15.00 H new ATOM 0 HB3 SER B 102 15.301 2.968 -11.831 1.00 15.00 H new ATOM 0 HG SER B 102 15.744 1.616 -9.999 1.00 15.00 H new ATOM 1389 N VAL B 103 15.896 5.391 -9.004 1.00 15.00 N ATOM 1390 CA VAL B 103 16.016 6.138 -7.759 1.00 15.00 C ATOM 1391 C VAL B 103 16.940 5.402 -6.776 1.00 15.00 C ATOM 1392 O VAL B 103 16.507 4.799 -5.795 1.00 15.00 O ATOM 1393 CB VAL B 103 14.616 6.405 -7.141 1.00 15.00 C ATOM 1394 CG1 VAL B 103 13.828 5.111 -6.959 1.00 15.00 C ATOM 1395 CG2 VAL B 103 14.723 7.170 -5.828 1.00 15.00 C ATOM 0 H VAL B 103 15.016 4.885 -9.106 1.00 15.00 H new ATOM 0 HA VAL B 103 16.468 7.106 -7.975 1.00 15.00 H new ATOM 0 HB VAL B 103 14.067 7.030 -7.845 1.00 15.00 H new ATOM 0 HG11 VAL B 103 12.854 5.336 -6.525 1.00 15.00 H new ATOM 0 HG12 VAL B 103 13.691 4.629 -7.927 1.00 15.00 H new ATOM 0 HG13 VAL B 103 14.375 4.442 -6.295 1.00 15.00 H new ATOM 0 HG21 VAL B 103 13.725 7.340 -5.423 1.00 15.00 H new ATOM 0 HG22 VAL B 103 15.310 6.590 -5.116 1.00 15.00 H new ATOM 0 HG23 VAL B 103 15.211 8.129 -6.004 1.00 15.00 H new ATOM 1405 N GLU B 104 18.232 5.459 -7.061 1.00 15.00 N ATOM 1406 CA GLU B 104 19.231 4.790 -6.243 1.00 15.00 C ATOM 1407 C GLU B 104 19.697 5.658 -5.077 1.00 15.00 C ATOM 1408 O GLU B 104 20.647 5.302 -4.382 1.00 15.00 O ATOM 1409 CB GLU B 104 20.429 4.394 -7.107 1.00 15.00 C ATOM 1410 CG GLU B 104 20.090 3.394 -8.200 1.00 15.00 C ATOM 1411 CD GLU B 104 21.071 3.440 -9.350 1.00 15.00 C ATOM 1412 OE1 GLU B 104 20.678 3.889 -10.450 1.00 15.00 O ATOM 1413 OE2 GLU B 104 22.246 3.058 -9.150 1.00 15.00 O1- ATOM 0 H GLU B 104 18.615 5.966 -7.859 1.00 15.00 H new ATOM 0 HA GLU B 104 18.766 3.899 -5.822 1.00 15.00 H new ATOM 0 HB2 GLU B 104 20.848 5.290 -7.564 1.00 15.00 H new ATOM 0 HB3 GLU B 104 21.203 3.971 -6.467 1.00 15.00 H new ATOM 0 HG2 GLU B 104 20.077 2.389 -7.778 1.00 15.00 H new ATOM 0 HG3 GLU B 104 19.086 3.596 -8.574 1.00 15.00 H new ATOM 1420 N LYS B 105 19.036 6.794 -4.858 1.00 15.00 N ATOM 1421 CA LYS B 105 19.407 7.678 -3.753 1.00 15.00 C ATOM 1422 C LYS B 105 19.007 7.042 -2.424 1.00 15.00 C ATOM 1423 O LYS B 105 19.617 7.296 -1.389 1.00 15.00 O ATOM 1424 CB LYS B 105 18.752 9.058 -3.896 1.00 15.00 C ATOM 1425 CG LYS B 105 19.229 10.062 -2.848 1.00 15.00 C ATOM 1426 CD LYS B 105 18.367 11.318 -2.815 1.00 15.00 C ATOM 1427 CE LYS B 105 18.820 12.264 -1.708 1.00 15.00 C ATOM 1428 NZ LYS B 105 17.983 13.495 -1.634 1.00 15.00 N1+ ATOM 0 H LYS B 105 18.252 7.121 -5.422 1.00 15.00 H new ATOM 0 HA LYS B 105 20.488 7.817 -3.778 1.00 15.00 H new ATOM 0 HB2 LYS B 105 18.963 9.452 -4.890 1.00 15.00 H new ATOM 0 HB3 LYS B 105 17.670 8.949 -3.820 1.00 15.00 H new ATOM 0 HG2 LYS B 105 19.218 9.591 -1.865 1.00 15.00 H new ATOM 0 HG3 LYS B 105 20.262 10.339 -3.057 1.00 15.00 H new ATOM 0 HD2 LYS B 105 18.422 11.826 -3.778 1.00 15.00 H new ATOM 0 HD3 LYS B 105 17.324 11.043 -2.659 1.00 15.00 H new ATOM 0 HE2 LYS B 105 18.781 11.744 -0.751 1.00 15.00 H new ATOM 0 HE3 LYS B 105 19.860 12.545 -1.877 1.00 15.00 H new ATOM 0 HZ1 LYS B 105 18.400 14.158 -0.949 1.00 15.00 H new ATOM 0 HZ2 LYS B 105 17.943 13.945 -2.571 1.00 15.00 H new ATOM 0 HZ3 LYS B 105 17.021 13.243 -1.330 1.00 15.00 H new ATOM 1442 N LEU B 106 17.982 6.200 -2.473 1.00 15.00 N ATOM 1443 CA LEU B 106 17.494 5.507 -1.285 1.00 15.00 C ATOM 1444 C LEU B 106 17.994 4.067 -1.293 1.00 15.00 C ATOM 1445 O LEU B 106 17.264 3.143 -0.945 1.00 15.00 O ATOM 1446 CB LEU B 106 15.957 5.530 -1.234 1.00 15.00 C ATOM 1447 CG LEU B 106 15.317 6.881 -0.878 1.00 15.00 C ATOM 1448 CD1 LEU B 106 16.025 7.519 0.307 1.00 15.00 C ATOM 1449 CD2 LEU B 106 15.321 7.819 -2.076 1.00 15.00 C ATOM 0 H LEU B 106 17.470 5.979 -3.327 1.00 15.00 H new ATOM 0 HA LEU B 106 17.873 6.019 -0.400 1.00 15.00 H new ATOM 0 HB2 LEU B 106 15.576 5.214 -2.205 1.00 15.00 H new ATOM 0 HB3 LEU B 106 15.626 4.790 -0.505 1.00 15.00 H new ATOM 0 HG LEU B 106 14.280 6.697 -0.597 1.00 15.00 H new ATOM 0 HD11 LEU B 106 15.555 8.474 0.541 1.00 15.00 H new ATOM 0 HD12 LEU B 106 15.955 6.859 1.171 1.00 15.00 H new ATOM 0 HD13 LEU B 106 17.074 7.682 0.059 1.00 15.00 H new ATOM 0 HD21 LEU B 106 14.863 8.768 -1.797 1.00 15.00 H new ATOM 0 HD22 LEU B 106 16.348 7.993 -2.398 1.00 15.00 H new ATOM 0 HD23 LEU B 106 14.756 7.369 -2.892 1.00 15.00 H new ATOM 1461 N THR B 107 19.249 3.898 -1.684 1.00 15.00 N ATOM 1462 CA THR B 107 19.875 2.586 -1.775 1.00 15.00 C ATOM 1463 C THR B 107 19.821 1.816 -0.456 1.00 15.00 C ATOM 1464 O THR B 107 19.287 0.709 -0.400 1.00 15.00 O ATOM 1465 CB THR B 107 21.342 2.722 -2.213 1.00 15.00 C ATOM 1466 OG1 THR B 107 21.704 4.113 -2.267 1.00 15.00 O ATOM 1467 CG2 THR B 107 21.567 2.073 -3.571 1.00 15.00 C ATOM 0 H THR B 107 19.863 4.668 -1.948 1.00 15.00 H new ATOM 0 HA THR B 107 19.308 2.024 -2.517 1.00 15.00 H new ATOM 0 HB THR B 107 21.970 2.210 -1.483 1.00 15.00 H new ATOM 0 HG1 THR B 107 21.541 4.459 -3.169 1.00 15.00 H new ATOM 0 HG21 THR B 107 22.613 2.183 -3.858 1.00 15.00 H new ATOM 0 HG22 THR B 107 21.316 1.014 -3.514 1.00 15.00 H new ATOM 0 HG23 THR B 107 20.934 2.557 -4.315 1.00 15.00 H new ATOM 1475 N ALA B 108 20.360 2.411 0.600 1.00 15.00 N ATOM 1476 CA ALA B 108 20.398 1.762 1.908 1.00 15.00 C ATOM 1477 C ALA B 108 18.999 1.539 2.471 1.00 15.00 C ATOM 1478 O ALA B 108 18.703 0.472 3.013 1.00 15.00 O ATOM 1479 CB ALA B 108 21.229 2.589 2.875 1.00 15.00 C ATOM 0 H ALA B 108 20.777 3.342 0.579 1.00 15.00 H new ATOM 0 HA ALA B 108 20.859 0.783 1.780 1.00 15.00 H new ATOM 0 HB1 ALA B 108 21.252 2.097 3.848 1.00 15.00 H new ATOM 0 HB2 ALA B 108 22.245 2.684 2.492 1.00 15.00 H new ATOM 0 HB3 ALA B 108 20.787 3.580 2.979 1.00 15.00 H new ATOM 1485 N ASP B 109 18.146 2.541 2.323 1.00 15.00 N ATOM 1486 CA ASP B 109 16.778 2.471 2.829 1.00 15.00 C ATOM 1487 C ASP B 109 16.006 1.346 2.148 1.00 15.00 C ATOM 1488 O ASP B 109 15.321 0.560 2.806 1.00 15.00 O ATOM 1489 CB ASP B 109 16.064 3.806 2.610 1.00 15.00 C ATOM 1490 CG ASP B 109 15.035 4.101 3.684 1.00 15.00 C ATOM 1491 OD1 ASP B 109 14.244 5.054 3.512 1.00 15.00 O ATOM 1492 OD2 ASP B 109 15.023 3.398 4.719 1.00 15.00 O1- ATOM 0 H ASP B 109 18.376 3.418 1.855 1.00 15.00 H new ATOM 0 HA ASP B 109 16.819 2.262 3.898 1.00 15.00 H new ATOM 0 HB2 ASP B 109 16.801 4.609 2.588 1.00 15.00 H new ATOM 0 HB3 ASP B 109 15.575 3.796 1.636 1.00 15.00 H new ATOM 1497 N ALA B 110 16.134 1.262 0.829 1.00 15.00 N ATOM 1498 CA ALA B 110 15.451 0.237 0.058 1.00 15.00 C ATOM 1499 C ALA B 110 16.059 -1.135 0.320 1.00 15.00 C ATOM 1500 O ALA B 110 15.344 -2.135 0.396 1.00 15.00 O ATOM 1501 CB ALA B 110 15.498 0.563 -1.427 1.00 15.00 C ATOM 0 H ALA B 110 16.707 1.895 0.272 1.00 15.00 H new ATOM 0 HA ALA B 110 14.408 0.215 0.375 1.00 15.00 H new ATOM 0 HB1 ALA B 110 14.981 -0.216 -1.987 1.00 15.00 H new ATOM 0 HB2 ALA B 110 15.010 1.522 -1.605 1.00 15.00 H new ATOM 0 HB3 ALA B 110 16.536 0.618 -1.755 1.00 15.00 H new ATOM 1507 N GLU B 111 17.381 -1.176 0.462 1.00 15.00 N ATOM 1508 CA GLU B 111 18.082 -2.429 0.721 1.00 15.00 C ATOM 1509 C GLU B 111 17.627 -3.037 2.043 1.00 15.00 C ATOM 1510 O GLU B 111 17.290 -4.217 2.103 1.00 15.00 O ATOM 1511 CB GLU B 111 19.598 -2.220 0.741 1.00 15.00 C ATOM 1512 CG GLU B 111 20.382 -3.488 1.039 1.00 15.00 C ATOM 1513 CD GLU B 111 21.876 -3.288 0.946 1.00 15.00 C ATOM 1514 OE1 GLU B 111 22.499 -3.840 0.016 1.00 15.00 O ATOM 1515 OE2 GLU B 111 22.442 -2.574 1.804 1.00 15.00 O1- ATOM 0 H GLU B 111 17.987 -0.358 0.402 1.00 15.00 H new ATOM 0 HA GLU B 111 17.838 -3.117 -0.089 1.00 15.00 H new ATOM 0 HB2 GLU B 111 19.915 -1.825 -0.224 1.00 15.00 H new ATOM 0 HB3 GLU B 111 19.843 -1.467 1.490 1.00 15.00 H new ATOM 0 HG2 GLU B 111 20.129 -3.840 2.039 1.00 15.00 H new ATOM 0 HG3 GLU B 111 20.080 -4.269 0.341 1.00 15.00 H new ATOM 1522 N LEU B 112 17.606 -2.223 3.093 1.00 15.00 N ATOM 1523 CA LEU B 112 17.189 -2.688 4.410 1.00 15.00 C ATOM 1524 C LEU B 112 15.759 -3.216 4.363 1.00 15.00 C ATOM 1525 O LEU B 112 15.447 -4.250 4.956 1.00 15.00 O ATOM 1526 CB LEU B 112 17.309 -1.559 5.435 1.00 15.00 C ATOM 1527 CG LEU B 112 18.740 -1.222 5.862 1.00 15.00 C ATOM 1528 CD1 LEU B 112 18.760 0.049 6.699 1.00 15.00 C ATOM 1529 CD2 LEU B 112 19.352 -2.385 6.631 1.00 15.00 C ATOM 0 H LEU B 112 17.873 -1.239 3.057 1.00 15.00 H new ATOM 0 HA LEU B 112 17.846 -3.503 4.713 1.00 15.00 H new ATOM 0 HB2 LEU B 112 16.849 -0.662 5.021 1.00 15.00 H new ATOM 0 HB3 LEU B 112 16.736 -1.831 6.321 1.00 15.00 H new ATOM 0 HG LEU B 112 19.339 -1.050 4.968 1.00 15.00 H new ATOM 0 HD11 LEU B 112 19.785 0.274 6.994 1.00 15.00 H new ATOM 0 HD12 LEU B 112 18.361 0.877 6.113 1.00 15.00 H new ATOM 0 HD13 LEU B 112 18.149 -0.093 7.590 1.00 15.00 H new ATOM 0 HD21 LEU B 112 20.369 -2.130 6.928 1.00 15.00 H new ATOM 0 HD22 LEU B 112 18.755 -2.588 7.520 1.00 15.00 H new ATOM 0 HD23 LEU B 112 19.370 -3.271 5.997 1.00 15.00 H new ATOM 1541 N GLN B 113 14.896 -2.509 3.639 1.00 15.00 N ATOM 1542 CA GLN B 113 13.505 -2.913 3.507 1.00 15.00 C ATOM 1543 C GLN B 113 13.404 -4.227 2.732 1.00 15.00 C ATOM 1544 O GLN B 113 12.653 -5.126 3.113 1.00 15.00 O ATOM 1545 CB GLN B 113 12.694 -1.820 2.803 1.00 15.00 C ATOM 1546 CG GLN B 113 11.199 -2.091 2.781 1.00 15.00 C ATOM 1547 CD GLN B 113 10.582 -2.097 4.166 1.00 15.00 C ATOM 1548 OE1 GLN B 113 10.160 -1.059 4.676 1.00 15.00 O ATOM 1549 NE2 GLN B 113 10.515 -3.269 4.781 1.00 15.00 N ATOM 0 H GLN B 113 15.138 -1.655 3.136 1.00 15.00 H new ATOM 0 HA GLN B 113 13.093 -3.063 4.505 1.00 15.00 H new ATOM 0 HB2 GLN B 113 12.875 -0.867 3.301 1.00 15.00 H new ATOM 0 HB3 GLN B 113 13.051 -1.717 1.778 1.00 15.00 H new ATOM 0 HG2 GLN B 113 10.706 -1.333 2.172 1.00 15.00 H new ATOM 0 HG3 GLN B 113 11.016 -3.053 2.303 1.00 15.00 H new ATOM 0 HE21 GLN B 113 10.876 -4.106 4.324 1.00 15.00 H new ATOM 0 HE22 GLN B 113 10.102 -3.334 5.711 1.00 15.00 H new ATOM 1558 N ARG B 114 14.188 -4.336 1.663 1.00 15.00 N ATOM 1559 CA ARG B 114 14.187 -5.532 0.827 1.00 15.00 C ATOM 1560 C ARG B 114 14.763 -6.727 1.578 1.00 15.00 C ATOM 1561 O ARG B 114 14.206 -7.820 1.530 1.00 15.00 O ATOM 1562 CB ARG B 114 14.982 -5.294 -0.459 1.00 15.00 C ATOM 1563 CG ARG B 114 14.724 -6.344 -1.527 1.00 15.00 C ATOM 1564 CD ARG B 114 15.570 -6.101 -2.765 1.00 15.00 C ATOM 1565 NE ARG B 114 14.757 -5.888 -3.964 1.00 15.00 N ATOM 1566 CZ ARG B 114 15.237 -5.953 -5.208 1.00 15.00 C ATOM 1567 NH1 ARG B 114 16.523 -6.227 -5.417 1.00 15.00 N1+ ATOM 1568 NH2 ARG B 114 14.434 -5.728 -6.243 1.00 15.00 N ATOM 0 H ARG B 114 14.833 -3.609 1.355 1.00 15.00 H new ATOM 0 HA ARG B 114 13.152 -5.752 0.567 1.00 15.00 H new ATOM 0 HB2 ARG B 114 14.730 -4.311 -0.857 1.00 15.00 H new ATOM 0 HB3 ARG B 114 16.046 -5.279 -0.223 1.00 15.00 H new ATOM 0 HG2 ARG B 114 14.942 -7.334 -1.125 1.00 15.00 H new ATOM 0 HG3 ARG B 114 13.669 -6.335 -1.799 1.00 15.00 H new ATOM 0 HD2 ARG B 114 16.206 -5.231 -2.602 1.00 15.00 H new ATOM 0 HD3 ARG B 114 16.230 -6.954 -2.924 1.00 15.00 H new ATOM 0 HE ARG B 114 13.766 -5.678 -3.842 1.00 15.00 H new ATOM 0 HH11 ARG B 114 17.145 -6.388 -4.625 1.00 15.00 H new ATOM 0 HH12 ARG B 114 16.886 -6.276 -6.369 1.00 15.00 H new ATOM 0 HH21 ARG B 114 13.451 -5.506 -6.087 1.00 15.00 H new ATOM 0 HH22 ARG B 114 14.801 -5.778 -7.193 1.00 15.00 H new ATOM 1582 N LEU B 115 15.872 -6.514 2.278 1.00 15.00 N ATOM 1583 CA LEU B 115 16.518 -7.584 3.038 1.00 15.00 C ATOM 1584 C LEU B 115 15.570 -8.122 4.109 1.00 15.00 C ATOM 1585 O LEU B 115 15.511 -9.327 4.360 1.00 15.00 O ATOM 1586 CB LEU B 115 17.810 -7.074 3.683 1.00 15.00 C ATOM 1587 CG LEU B 115 18.767 -8.159 4.188 1.00 15.00 C ATOM 1588 CD1 LEU B 115 19.370 -8.932 3.024 1.00 15.00 C ATOM 1589 CD2 LEU B 115 19.863 -7.548 5.047 1.00 15.00 C ATOM 0 H LEU B 115 16.344 -5.612 2.336 1.00 15.00 H new ATOM 0 HA LEU B 115 16.766 -8.394 2.353 1.00 15.00 H new ATOM 0 HB2 LEU B 115 18.339 -6.456 2.957 1.00 15.00 H new ATOM 0 HB3 LEU B 115 17.547 -6.427 4.520 1.00 15.00 H new ATOM 0 HG LEU B 115 18.197 -8.856 4.801 1.00 15.00 H new ATOM 0 HD11 LEU B 115 20.046 -9.697 3.406 1.00 15.00 H new ATOM 0 HD12 LEU B 115 18.573 -9.406 2.450 1.00 15.00 H new ATOM 0 HD13 LEU B 115 19.923 -8.248 2.380 1.00 15.00 H new ATOM 0 HD21 LEU B 115 20.532 -8.334 5.396 1.00 15.00 H new ATOM 0 HD22 LEU B 115 20.428 -6.826 4.457 1.00 15.00 H new ATOM 0 HD23 LEU B 115 19.416 -7.045 5.904 1.00 15.00 H new ATOM 1601 N LYS B 116 14.831 -7.212 4.728 1.00 15.00 N ATOM 1602 CA LYS B 116 13.867 -7.566 5.755 1.00 15.00 C ATOM 1603 C LYS B 116 12.696 -8.325 5.134 1.00 15.00 C ATOM 1604 O LYS B 116 12.261 -9.350 5.652 1.00 15.00 O ATOM 1605 CB LYS B 116 13.372 -6.296 6.447 1.00 15.00 C ATOM 1606 CG LYS B 116 12.578 -6.539 7.719 1.00 15.00 C ATOM 1607 CD LYS B 116 12.145 -5.225 8.342 1.00 15.00 C ATOM 1608 CE LYS B 116 11.471 -5.429 9.690 1.00 15.00 C ATOM 1609 NZ LYS B 116 11.107 -4.134 10.320 1.00 15.00 N1+ ATOM 0 H LYS B 116 14.884 -6.212 4.532 1.00 15.00 H new ATOM 0 HA LYS B 116 14.344 -8.211 6.493 1.00 15.00 H new ATOM 0 HB2 LYS B 116 14.231 -5.669 6.685 1.00 15.00 H new ATOM 0 HB3 LYS B 116 12.751 -5.735 5.748 1.00 15.00 H new ATOM 0 HG2 LYS B 116 11.701 -7.147 7.496 1.00 15.00 H new ATOM 0 HG3 LYS B 116 13.184 -7.102 8.429 1.00 15.00 H new ATOM 0 HD2 LYS B 116 13.014 -4.578 8.465 1.00 15.00 H new ATOM 0 HD3 LYS B 116 11.459 -4.712 7.667 1.00 15.00 H new ATOM 0 HE2 LYS B 116 10.575 -6.036 9.561 1.00 15.00 H new ATOM 0 HE3 LYS B 116 12.138 -5.981 10.351 1.00 15.00 H new ATOM 0 HZ1 LYS B 116 10.113 -4.163 10.624 1.00 15.00 H new ATOM 0 HZ2 LYS B 116 11.716 -3.966 11.146 1.00 15.00 H new ATOM 0 HZ3 LYS B 116 11.237 -3.365 9.632 1.00 15.00 H new ATOM 1623 N ASN B 117 12.207 -7.817 4.008 1.00 15.00 N ATOM 1624 CA ASN B 117 11.090 -8.432 3.291 1.00 15.00 C ATOM 1625 C ASN B 117 11.477 -9.814 2.770 1.00 15.00 C ATOM 1626 O ASN B 117 10.677 -10.745 2.794 1.00 15.00 O ATOM 1627 CB ASN B 117 10.666 -7.520 2.131 1.00 15.00 C ATOM 1628 CG ASN B 117 9.606 -8.136 1.236 1.00 15.00 C ATOM 1629 OD1 ASN B 117 8.415 -8.102 1.546 1.00 15.00 O ATOM 1630 ND2 ASN B 117 10.030 -8.672 0.101 1.00 15.00 N ATOM 0 H ASN B 117 12.570 -6.972 3.566 1.00 15.00 H new ATOM 0 HA ASN B 117 10.252 -8.556 3.977 1.00 15.00 H new ATOM 0 HB2 ASN B 117 10.288 -6.581 2.536 1.00 15.00 H new ATOM 0 HB3 ASN B 117 11.542 -7.278 1.530 1.00 15.00 H new ATOM 0 HD21 ASN B 117 9.360 -9.077 -0.553 1.00 15.00 H new ATOM 0 HD22 ASN B 117 11.026 -8.680 -0.118 1.00 15.00 H new ATOM 1637 N GLU B 118 12.722 -9.937 2.326 1.00 15.00 N ATOM 1638 CA GLU B 118 13.238 -11.192 1.788 1.00 15.00 C ATOM 1639 C GLU B 118 13.217 -12.298 2.839 1.00 15.00 C ATOM 1640 O GLU B 118 12.811 -13.426 2.558 1.00 15.00 O ATOM 1641 CB GLU B 118 14.663 -10.990 1.275 1.00 15.00 C ATOM 1642 CG GLU B 118 15.021 -11.891 0.108 1.00 15.00 C ATOM 1643 CD GLU B 118 14.076 -11.715 -1.060 1.00 15.00 C ATOM 1644 OE1 GLU B 118 14.178 -10.691 -1.768 1.00 15.00 O ATOM 1645 OE2 GLU B 118 13.227 -12.602 -1.284 1.00 15.00 O1- ATOM 0 H GLU B 118 13.400 -9.175 2.328 1.00 15.00 H new ATOM 0 HA GLU B 118 12.593 -11.497 0.964 1.00 15.00 H new ATOM 0 HB2 GLU B 118 14.787 -9.950 0.972 1.00 15.00 H new ATOM 0 HB3 GLU B 118 15.363 -11.170 2.091 1.00 15.00 H new ATOM 0 HG2 GLU B 118 16.040 -11.677 -0.215 1.00 15.00 H new ATOM 0 HG3 GLU B 118 15.003 -12.931 0.435 1.00 15.00 H new ATOM 1652 N ALA B 119 13.652 -11.971 4.051 1.00 15.00 N ATOM 1653 CA ALA B 119 13.683 -12.945 5.134 1.00 15.00 C ATOM 1654 C ALA B 119 12.290 -13.166 5.710 1.00 15.00 C ATOM 1655 O ALA B 119 11.936 -14.278 6.099 1.00 15.00 O ATOM 1656 CB ALA B 119 14.639 -12.491 6.224 1.00 15.00 C ATOM 0 H ALA B 119 13.987 -11.042 4.307 1.00 15.00 H new ATOM 0 HA ALA B 119 14.036 -13.893 4.728 1.00 15.00 H new ATOM 0 HB1 ALA B 119 14.652 -13.228 7.027 1.00 15.00 H new ATOM 0 HB2 ALA B 119 15.642 -12.389 5.809 1.00 15.00 H new ATOM 0 HB3 ALA B 119 14.310 -11.530 6.619 1.00 15.00 H new ATOM 1662 N ALA B 120 11.503 -12.100 5.759 1.00 15.00 N ATOM 1663 CA ALA B 120 10.149 -12.178 6.289 1.00 15.00 C ATOM 1664 C ALA B 120 9.238 -12.986 5.372 1.00 15.00 C ATOM 1665 O ALA B 120 8.280 -13.604 5.836 1.00 15.00 O ATOM 1666 CB ALA B 120 9.584 -10.784 6.506 1.00 15.00 C ATOM 0 H ALA B 120 11.779 -11.172 5.438 1.00 15.00 H new ATOM 0 HA ALA B 120 10.195 -12.692 7.249 1.00 15.00 H new ATOM 0 HB1 ALA B 120 8.571 -10.859 6.902 1.00 15.00 H new ATOM 0 HB2 ALA B 120 10.212 -10.243 7.214 1.00 15.00 H new ATOM 0 HB3 ALA B 120 9.563 -10.248 5.557 1.00 15.00 H new ATOM 1672 N GLU B 121 9.563 -12.998 4.080 1.00 15.00 N ATOM 1673 CA GLU B 121 8.786 -13.723 3.068 1.00 15.00 C ATOM 1674 C GLU B 121 8.494 -15.159 3.504 1.00 15.00 C ATOM 1675 O GLU B 121 7.486 -15.747 3.104 1.00 15.00 O ATOM 1676 CB GLU B 121 9.544 -13.726 1.741 1.00 15.00 C ATOM 1677 CG GLU B 121 8.742 -14.281 0.577 1.00 15.00 C ATOM 1678 CD GLU B 121 9.476 -14.161 -0.743 1.00 15.00 C ATOM 1679 OE1 GLU B 121 9.423 -13.076 -1.356 1.00 15.00 O ATOM 1680 OE2 GLU B 121 10.107 -15.149 -1.177 1.00 15.00 O1- ATOM 0 H GLU B 121 10.373 -12.506 3.702 1.00 15.00 H new ATOM 0 HA GLU B 121 7.831 -13.211 2.946 1.00 15.00 H new ATOM 0 HB2 GLU B 121 9.850 -12.707 1.506 1.00 15.00 H new ATOM 0 HB3 GLU B 121 10.455 -14.314 1.855 1.00 15.00 H new ATOM 0 HG2 GLU B 121 8.511 -15.329 0.766 1.00 15.00 H new ATOM 0 HG3 GLU B 121 7.791 -13.752 0.510 1.00 15.00 H new ATOM 1687 N GLU B 122 9.383 -15.710 4.321 1.00 15.00 N ATOM 1688 CA GLU B 122 9.236 -17.063 4.833 1.00 15.00 C ATOM 1689 C GLU B 122 7.879 -17.242 5.519 1.00 15.00 C ATOM 1690 O GLU B 122 7.017 -17.966 5.018 1.00 15.00 O ATOM 1691 CB GLU B 122 10.365 -17.371 5.815 1.00 15.00 C ATOM 1692 CG GLU B 122 10.435 -18.826 6.238 1.00 15.00 C ATOM 1693 CD GLU B 122 11.467 -19.053 7.316 1.00 15.00 C ATOM 1694 OE1 GLU B 122 11.098 -19.039 8.507 1.00 15.00 O ATOM 1695 OE2 GLU B 122 12.656 -19.223 6.976 1.00 15.00 O1- ATOM 0 H GLU B 122 10.223 -15.232 4.646 1.00 15.00 H new ATOM 0 HA GLU B 122 9.288 -17.758 3.995 1.00 15.00 H new ATOM 0 HB2 GLU B 122 11.315 -17.089 5.361 1.00 15.00 H new ATOM 0 HB3 GLU B 122 10.240 -16.751 6.703 1.00 15.00 H new ATOM 0 HG2 GLU B 122 9.458 -19.146 6.599 1.00 15.00 H new ATOM 0 HG3 GLU B 122 10.673 -19.444 5.372 1.00 15.00 H new ATOM 1702 N ALA B 123 7.684 -16.571 6.651 1.00 15.00 N ATOM 1703 CA ALA B 123 6.426 -16.684 7.385 1.00 15.00 C ATOM 1704 C ALA B 123 6.139 -15.453 8.243 1.00 15.00 C ATOM 1705 O ALA B 123 5.146 -15.412 8.969 1.00 15.00 O ATOM 1706 CB ALA B 123 6.442 -17.931 8.252 1.00 15.00 C ATOM 0 H ALA B 123 8.372 -15.950 7.077 1.00 15.00 H new ATOM 0 HA ALA B 123 5.626 -16.757 6.648 1.00 15.00 H new ATOM 0 HB1 ALA B 123 5.501 -18.008 8.796 1.00 15.00 H new ATOM 0 HB2 ALA B 123 6.570 -18.811 7.621 1.00 15.00 H new ATOM 0 HB3 ALA B 123 7.267 -17.870 8.962 1.00 15.00 H new ATOM 1712 N GLU B 124 6.992 -14.444 8.150 1.00 15.00 N ATOM 1713 CA GLU B 124 6.817 -13.224 8.928 1.00 15.00 C ATOM 1714 C GLU B 124 6.284 -12.104 8.043 1.00 15.00 C ATOM 1715 O GLU B 124 6.103 -10.974 8.492 1.00 15.00 O ATOM 1716 CB GLU B 124 8.146 -12.803 9.563 1.00 15.00 C ATOM 1717 CG GLU B 124 8.139 -12.845 11.083 1.00 15.00 C ATOM 1718 CD GLU B 124 7.221 -11.810 11.700 1.00 15.00 C ATOM 1719 OE1 GLU B 124 6.028 -12.114 11.904 1.00 15.00 O ATOM 1720 OE2 GLU B 124 7.693 -10.689 11.993 1.00 15.00 O1- ATOM 0 H GLU B 124 7.813 -14.445 7.544 1.00 15.00 H new ATOM 0 HA GLU B 124 6.095 -13.420 9.721 1.00 15.00 H new ATOM 0 HB2 GLU B 124 8.937 -13.456 9.194 1.00 15.00 H new ATOM 0 HB3 GLU B 124 8.389 -11.792 9.238 1.00 15.00 H new ATOM 0 HG2 GLU B 124 7.831 -13.838 11.412 1.00 15.00 H new ATOM 0 HG3 GLU B 124 9.153 -12.688 11.450 1.00 15.00 H new ATOM 1727 N LEU B 125 6.023 -12.443 6.785 1.00 15.00 N ATOM 1728 CA LEU B 125 5.517 -11.487 5.805 1.00 15.00 C ATOM 1729 C LEU B 125 4.197 -10.884 6.265 1.00 15.00 C ATOM 1730 O LEU B 125 3.874 -9.743 5.938 1.00 15.00 O ATOM 1731 CB LEU B 125 5.337 -12.177 4.452 1.00 15.00 C ATOM 1732 CG LEU B 125 5.190 -11.240 3.252 1.00 15.00 C ATOM 1733 CD1 LEU B 125 6.451 -10.408 3.058 1.00 15.00 C ATOM 1734 CD2 LEU B 125 4.879 -12.039 1.997 1.00 15.00 C ATOM 0 H LEU B 125 6.155 -13.385 6.416 1.00 15.00 H new ATOM 0 HA LEU B 125 6.242 -10.680 5.704 1.00 15.00 H new ATOM 0 HB2 LEU B 125 6.193 -12.829 4.279 1.00 15.00 H new ATOM 0 HB3 LEU B 125 4.455 -12.815 4.503 1.00 15.00 H new ATOM 0 HG LEU B 125 4.362 -10.558 3.446 1.00 15.00 H new ATOM 0 HD11 LEU B 125 6.324 -9.749 2.199 1.00 15.00 H new ATOM 0 HD12 LEU B 125 6.633 -9.810 3.951 1.00 15.00 H new ATOM 0 HD13 LEU B 125 7.300 -11.069 2.885 1.00 15.00 H new ATOM 0 HD21 LEU B 125 4.777 -11.361 1.150 1.00 15.00 H new ATOM 0 HD22 LEU B 125 5.689 -12.742 1.803 1.00 15.00 H new ATOM 0 HD23 LEU B 125 3.948 -12.588 2.137 1.00 15.00 H new ATOM 1746 N GLU B 126 3.443 -11.661 7.030 1.00 15.00 N ATOM 1747 CA GLU B 126 2.167 -11.209 7.552 1.00 15.00 C ATOM 1748 C GLU B 126 2.358 -9.993 8.452 1.00 15.00 C ATOM 1749 O GLU B 126 1.764 -8.941 8.223 1.00 15.00 O ATOM 1750 CB GLU B 126 1.487 -12.341 8.323 1.00 15.00 C ATOM 1751 CG GLU B 126 0.895 -13.411 7.422 1.00 15.00 C ATOM 1752 CD GLU B 126 -0.202 -12.868 6.533 1.00 15.00 C ATOM 1753 OE1 GLU B 126 -1.347 -12.743 7.009 1.00 15.00 O ATOM 1754 OE2 GLU B 126 0.076 -12.547 5.357 1.00 15.00 O1- ATOM 0 H GLU B 126 3.697 -12.611 7.302 1.00 15.00 H new ATOM 0 HA GLU B 126 1.530 -10.920 6.716 1.00 15.00 H new ATOM 0 HB2 GLU B 126 2.212 -12.801 8.994 1.00 15.00 H new ATOM 0 HB3 GLU B 126 0.697 -11.923 8.947 1.00 15.00 H new ATOM 0 HG2 GLU B 126 1.683 -13.839 6.803 1.00 15.00 H new ATOM 0 HG3 GLU B 126 0.497 -14.220 8.035 1.00 15.00 H new ATOM 1761 N ARG B 127 3.216 -10.137 9.451 1.00 15.00 N ATOM 1762 CA ARG B 127 3.485 -9.055 10.387 1.00 15.00 C ATOM 1763 C ARG B 127 4.341 -7.972 9.734 1.00 15.00 C ATOM 1764 O ARG B 127 4.196 -6.790 10.043 1.00 15.00 O ATOM 1765 CB ARG B 127 4.174 -9.591 11.638 1.00 15.00 C ATOM 1766 CG ARG B 127 4.083 -8.647 12.824 1.00 15.00 C ATOM 1767 CD ARG B 127 5.273 -8.811 13.750 1.00 15.00 C ATOM 1768 NE ARG B 127 6.529 -8.526 13.061 1.00 15.00 N ATOM 1769 CZ ARG B 127 7.061 -7.308 12.952 1.00 15.00 C ATOM 1770 NH1 ARG B 127 6.442 -6.256 13.487 1.00 15.00 N1+ ATOM 1771 NH2 ARG B 127 8.215 -7.143 12.321 1.00 15.00 N ATOM 0 H ARG B 127 3.739 -10.994 9.635 1.00 15.00 H new ATOM 0 HA ARG B 127 2.532 -8.611 10.675 1.00 15.00 H new ATOM 0 HB2 ARG B 127 3.728 -10.548 11.909 1.00 15.00 H new ATOM 0 HB3 ARG B 127 5.223 -9.781 11.413 1.00 15.00 H new ATOM 0 HG2 ARG B 127 4.034 -7.617 12.469 1.00 15.00 H new ATOM 0 HG3 ARG B 127 3.162 -8.838 13.374 1.00 15.00 H new ATOM 0 HD2 ARG B 127 5.166 -8.143 14.605 1.00 15.00 H new ATOM 0 HD3 ARG B 127 5.294 -9.828 14.141 1.00 15.00 H new ATOM 0 HE ARG B 127 7.030 -9.307 12.637 1.00 15.00 H new ATOM 0 HH11 ARG B 127 5.559 -6.381 13.982 1.00 15.00 H new ATOM 0 HH12 ARG B 127 6.852 -5.326 13.402 1.00 15.00 H new ATOM 0 HH21 ARG B 127 8.696 -7.948 11.919 1.00 15.00 H new ATOM 0 HH22 ARG B 127 8.622 -6.211 12.238 1.00 15.00 H new ATOM 1785 N LEU B 128 5.234 -8.382 8.833 1.00 15.00 N ATOM 1786 CA LEU B 128 6.105 -7.446 8.118 1.00 15.00 C ATOM 1787 C LEU B 128 5.259 -6.429 7.362 1.00 15.00 C ATOM 1788 O LEU B 128 5.534 -5.228 7.378 1.00 15.00 O ATOM 1789 CB LEU B 128 7.015 -8.223 7.148 1.00 15.00 C ATOM 1790 CG LEU B 128 8.098 -7.414 6.408 1.00 15.00 C ATOM 1791 CD1 LEU B 128 7.565 -6.868 5.088 1.00 15.00 C ATOM 1792 CD2 LEU B 128 8.629 -6.285 7.279 1.00 15.00 C ATOM 0 H LEU B 128 5.374 -9.360 8.580 1.00 15.00 H new ATOM 0 HA LEU B 128 6.732 -6.913 8.833 1.00 15.00 H new ATOM 0 HB2 LEU B 128 7.509 -9.017 7.708 1.00 15.00 H new ATOM 0 HB3 LEU B 128 6.383 -8.705 6.402 1.00 15.00 H new ATOM 0 HG LEU B 128 8.925 -8.090 6.188 1.00 15.00 H new ATOM 0 HD11 LEU B 128 8.349 -6.301 4.586 1.00 15.00 H new ATOM 0 HD12 LEU B 128 7.251 -7.696 4.452 1.00 15.00 H new ATOM 0 HD13 LEU B 128 6.713 -6.216 5.281 1.00 15.00 H new ATOM 0 HD21 LEU B 128 9.392 -5.731 6.732 1.00 15.00 H new ATOM 0 HD22 LEU B 128 7.812 -5.614 7.543 1.00 15.00 H new ATOM 0 HD23 LEU B 128 9.065 -6.701 8.188 1.00 15.00 H new ATOM 1804 N LYS B 129 4.225 -6.927 6.717 1.00 15.00 N ATOM 1805 CA LYS B 129 3.315 -6.095 5.955 1.00 15.00 C ATOM 1806 C LYS B 129 2.582 -5.112 6.879 1.00 15.00 C ATOM 1807 O LYS B 129 2.379 -3.950 6.525 1.00 15.00 O ATOM 1808 CB LYS B 129 2.361 -7.012 5.183 1.00 15.00 C ATOM 1809 CG LYS B 129 0.916 -6.549 5.105 1.00 15.00 C ATOM 1810 CD LYS B 129 -0.036 -7.625 5.613 1.00 15.00 C ATOM 1811 CE LYS B 129 0.190 -8.974 4.940 1.00 15.00 C ATOM 1812 NZ LYS B 129 -0.754 -10.005 5.446 1.00 15.00 N1+ ATOM 0 H LYS B 129 3.991 -7.920 6.706 1.00 15.00 H new ATOM 0 HA LYS B 129 3.859 -5.482 5.237 1.00 15.00 H new ATOM 0 HB2 LYS B 129 2.741 -7.128 4.168 1.00 15.00 H new ATOM 0 HB3 LYS B 129 2.382 -7.999 5.646 1.00 15.00 H new ATOM 0 HG2 LYS B 129 0.790 -5.641 5.694 1.00 15.00 H new ATOM 0 HG3 LYS B 129 0.667 -6.297 4.074 1.00 15.00 H new ATOM 0 HD2 LYS B 129 0.088 -7.735 6.690 1.00 15.00 H new ATOM 0 HD3 LYS B 129 -1.064 -7.306 5.442 1.00 15.00 H new ATOM 0 HE2 LYS B 129 0.069 -8.868 3.862 1.00 15.00 H new ATOM 0 HE3 LYS B 129 1.215 -9.301 5.115 1.00 15.00 H new ATOM 0 HZ1 LYS B 129 -0.516 -10.928 5.029 1.00 15.00 H new ATOM 0 HZ2 LYS B 129 -0.681 -10.064 6.482 1.00 15.00 H new ATOM 0 HZ3 LYS B 129 -1.726 -9.746 5.181 1.00 15.00 H new ATOM 1826 N SER B 130 2.223 -5.574 8.076 1.00 15.00 N ATOM 1827 CA SER B 130 1.540 -4.729 9.051 1.00 15.00 C ATOM 1828 C SER B 130 2.508 -3.683 9.613 1.00 15.00 C ATOM 1829 O SER B 130 2.115 -2.564 9.957 1.00 15.00 O ATOM 1830 CB SER B 130 0.971 -5.586 10.188 1.00 15.00 C ATOM 1831 OG SER B 130 0.465 -6.820 9.699 1.00 15.00 O ATOM 0 H SER B 130 2.394 -6.528 8.393 1.00 15.00 H new ATOM 0 HA SER B 130 0.717 -4.215 8.554 1.00 15.00 H new ATOM 0 HB2 SER B 130 1.749 -5.777 10.927 1.00 15.00 H new ATOM 0 HB3 SER B 130 0.176 -5.040 10.696 1.00 15.00 H new ATOM 0 HG SER B 130 -0.236 -6.647 9.036 1.00 15.00 H new ATOM 1837 N GLU B 131 3.783 -4.058 9.689 1.00 15.00 N ATOM 1838 CA GLU B 131 4.818 -3.169 10.190 1.00 15.00 C ATOM 1839 C GLU B 131 4.978 -1.980 9.250 1.00 15.00 C ATOM 1840 O GLU B 131 5.229 -0.857 9.687 1.00 15.00 O ATOM 1841 CB GLU B 131 6.142 -3.923 10.338 1.00 15.00 C ATOM 1842 CG GLU B 131 7.244 -3.101 10.991 1.00 15.00 C ATOM 1843 CD GLU B 131 7.942 -3.848 12.104 1.00 15.00 C ATOM 1844 OE1 GLU B 131 7.485 -3.757 13.264 1.00 15.00 O ATOM 1845 OE2 GLU B 131 8.939 -4.546 11.829 1.00 15.00 O1- ATOM 0 H GLU B 131 4.121 -4.978 9.407 1.00 15.00 H new ATOM 0 HA GLU B 131 4.525 -2.801 11.173 1.00 15.00 H new ATOM 0 HB2 GLU B 131 5.973 -4.823 10.929 1.00 15.00 H new ATOM 0 HB3 GLU B 131 6.478 -4.247 9.353 1.00 15.00 H new ATOM 0 HG2 GLU B 131 7.976 -2.815 10.235 1.00 15.00 H new ATOM 0 HG3 GLU B 131 6.819 -2.179 11.388 1.00 15.00 H new ATOM 1852 N ARG B 132 4.802 -2.234 7.957 1.00 15.00 N ATOM 1853 CA ARG B 132 4.915 -1.190 6.947 1.00 15.00 C ATOM 1854 C ARG B 132 3.905 -0.079 7.205 1.00 15.00 C ATOM 1855 O ARG B 132 4.211 1.098 7.023 1.00 15.00 O ATOM 1856 CB ARG B 132 4.685 -1.757 5.548 1.00 15.00 C ATOM 1857 CG ARG B 132 5.880 -2.500 4.982 1.00 15.00 C ATOM 1858 CD ARG B 132 5.955 -2.337 3.477 1.00 15.00 C ATOM 1859 NE ARG B 132 6.094 -0.930 3.094 1.00 15.00 N ATOM 1860 CZ ARG B 132 6.308 -0.519 1.850 1.00 15.00 C ATOM 1861 NH1 ARG B 132 6.410 -1.406 0.874 1.00 15.00 N1+ ATOM 1862 NH2 ARG B 132 6.393 0.774 1.573 1.00 15.00 N ATOM 0 H ARG B 132 4.580 -3.157 7.584 1.00 15.00 H new ATOM 0 HA ARG B 132 5.925 -0.784 7.008 1.00 15.00 H new ATOM 0 HB2 ARG B 132 3.830 -2.432 5.576 1.00 15.00 H new ATOM 0 HB3 ARG B 132 4.424 -0.941 4.874 1.00 15.00 H new ATOM 0 HG2 ARG B 132 6.796 -2.125 5.439 1.00 15.00 H new ATOM 0 HG3 ARG B 132 5.808 -3.558 5.234 1.00 15.00 H new ATOM 0 HD2 ARG B 132 6.801 -2.905 3.090 1.00 15.00 H new ATOM 0 HD3 ARG B 132 5.057 -2.752 3.020 1.00 15.00 H new ATOM 0 HE ARG B 132 6.022 -0.224 3.827 1.00 15.00 H new ATOM 0 HH11 ARG B 132 6.324 -2.402 1.079 1.00 15.00 H new ATOM 0 HH12 ARG B 132 6.574 -1.094 -0.083 1.00 15.00 H new ATOM 0 HH21 ARG B 132 6.294 1.463 2.319 1.00 15.00 H new ATOM 0 HH22 ARG B 132 6.558 1.080 0.614 1.00 15.00 H new ATOM 1876 N HIS B 133 2.706 -0.465 7.630 1.00 15.00 N ATOM 1877 CA HIS B 133 1.640 0.492 7.920 1.00 15.00 C ATOM 1878 C HIS B 133 2.099 1.547 8.925 1.00 15.00 C ATOM 1879 O HIS B 133 1.827 2.739 8.764 1.00 15.00 O ATOM 1880 CB HIS B 133 0.406 -0.232 8.467 1.00 15.00 C ATOM 1881 CG HIS B 133 -0.543 -0.711 7.410 1.00 15.00 C ATOM 1882 ND1 HIS B 133 -0.100 -1.386 6.296 1.00 15.00 N ATOM 1883 CD2 HIS B 133 -1.894 -0.582 7.342 1.00 15.00 C ATOM 1884 CE1 HIS B 133 -1.181 -1.653 5.585 1.00 15.00 C ATOM 1885 NE2 HIS B 133 -2.286 -1.189 6.180 1.00 15.00 N ATOM 0 H HIS B 133 2.446 -1.439 7.782 1.00 15.00 H new ATOM 0 HA HIS B 133 1.384 0.992 6.986 1.00 15.00 H new ATOM 0 HB2 HIS B 133 0.733 -1.086 9.060 1.00 15.00 H new ATOM 0 HB3 HIS B 133 -0.127 0.439 9.141 1.00 15.00 H new ATOM 0 HD2 HIS B 133 -2.533 -0.096 8.064 1.00 15.00 H new ATOM 0 HE1 HIS B 133 -1.174 -2.180 4.642 1.00 15.00 H new ATOM 0 HE2 HIS B 133 -3.241 -1.272 5.833 1.00 15.00 H new ATOM 1893 N ASP B 134 2.805 1.110 9.959 1.00 15.00 N ATOM 1894 CA ASP B 134 3.278 2.027 10.992 1.00 15.00 C ATOM 1895 C ASP B 134 4.605 2.686 10.612 1.00 15.00 C ATOM 1896 O ASP B 134 4.876 3.825 10.997 1.00 15.00 O ATOM 1897 CB ASP B 134 3.426 1.297 12.328 1.00 15.00 C ATOM 1898 CG ASP B 134 3.610 2.255 13.488 1.00 15.00 C ATOM 1899 OD1 ASP B 134 4.494 2.014 14.334 1.00 15.00 O ATOM 1900 OD2 ASP B 134 2.869 3.260 13.555 1.00 15.00 O1- ATOM 0 H ASP B 134 3.062 0.134 10.106 1.00 15.00 H new ATOM 0 HA ASP B 134 2.530 2.814 11.088 1.00 15.00 H new ATOM 0 HB2 ASP B 134 2.543 0.682 12.504 1.00 15.00 H new ATOM 0 HB3 ASP B 134 4.280 0.622 12.278 1.00 15.00 H new ATOM 1905 N HIS B 135 5.424 1.979 9.850 1.00 15.00 N ATOM 1906 CA HIS B 135 6.725 2.504 9.446 1.00 15.00 C ATOM 1907 C HIS B 135 6.604 3.574 8.366 1.00 15.00 C ATOM 1908 O HIS B 135 7.227 4.629 8.468 1.00 15.00 O ATOM 1909 CB HIS B 135 7.633 1.378 8.957 1.00 15.00 C ATOM 1910 CG HIS B 135 8.344 0.666 10.062 1.00 15.00 C ATOM 1911 ND1 HIS B 135 9.570 0.072 9.865 1.00 15.00 N ATOM 1912 CD2 HIS B 135 7.964 0.485 11.348 1.00 15.00 C ATOM 1913 CE1 HIS B 135 9.904 -0.454 11.033 1.00 15.00 C ATOM 1914 NE2 HIS B 135 8.960 -0.231 11.954 1.00 15.00 N ATOM 0 H HIS B 135 5.216 1.044 9.499 1.00 15.00 H new ATOM 0 HA HIS B 135 7.166 2.968 10.328 1.00 15.00 H new ATOM 0 HB2 HIS B 135 7.037 0.659 8.396 1.00 15.00 H new ATOM 0 HB3 HIS B 135 8.370 1.789 8.267 1.00 15.00 H new ATOM 0 HD2 HIS B 135 7.052 0.837 11.807 1.00 15.00 H new ATOM 0 HE1 HIS B 135 10.821 -0.994 11.218 1.00 15.00 H new ATOM 0 HE2 HIS B 135 8.979 -0.538 12.927 1.00 15.00 H new ATOM 1922 N ASP B 136 5.790 3.318 7.348 1.00 15.00 N ATOM 1923 CA ASP B 136 5.623 4.270 6.249 1.00 15.00 C ATOM 1924 C ASP B 136 5.018 5.578 6.737 1.00 15.00 C ATOM 1925 O ASP B 136 5.407 6.655 6.290 1.00 15.00 O ATOM 1926 CB ASP B 136 4.761 3.685 5.139 1.00 15.00 C ATOM 1927 CG ASP B 136 5.442 3.765 3.789 1.00 15.00 C ATOM 1928 OD1 ASP B 136 5.915 2.715 3.296 1.00 15.00 O ATOM 1929 OD2 ASP B 136 5.519 4.867 3.210 1.00 15.00 O1- ATOM 0 H ASP B 136 5.237 2.466 7.258 1.00 15.00 H new ATOM 0 HA ASP B 136 6.616 4.475 5.849 1.00 15.00 H new ATOM 0 HB2 ASP B 136 4.532 2.644 5.368 1.00 15.00 H new ATOM 0 HB3 ASP B 136 3.811 4.219 5.098 1.00 15.00 H new ATOM 1934 N LYS B 137 4.074 5.485 7.670 1.00 15.00 N ATOM 1935 CA LYS B 137 3.441 6.680 8.215 1.00 15.00 C ATOM 1936 C LYS B 137 4.478 7.520 8.956 1.00 15.00 C ATOM 1937 O LYS B 137 4.409 8.751 8.961 1.00 15.00 O ATOM 1938 CB LYS B 137 2.264 6.323 9.140 1.00 15.00 C ATOM 1939 CG LYS B 137 2.671 5.997 10.567 1.00 15.00 C ATOM 1940 CD LYS B 137 1.474 5.948 11.500 1.00 15.00 C ATOM 1941 CE LYS B 137 0.615 4.722 11.250 1.00 15.00 C ATOM 1942 NZ LYS B 137 0.464 3.896 12.478 1.00 15.00 N1+ ATOM 0 H LYS B 137 3.735 4.606 8.060 1.00 15.00 H new ATOM 0 HA LYS B 137 3.036 7.262 7.387 1.00 15.00 H new ATOM 0 HB2 LYS B 137 1.563 7.157 9.156 1.00 15.00 H new ATOM 0 HB3 LYS B 137 1.733 5.468 8.721 1.00 15.00 H new ATOM 0 HG2 LYS B 137 3.187 5.037 10.587 1.00 15.00 H new ATOM 0 HG3 LYS B 137 3.378 6.746 10.923 1.00 15.00 H new ATOM 0 HD2 LYS B 137 1.819 5.946 12.534 1.00 15.00 H new ATOM 0 HD3 LYS B 137 0.872 6.847 11.367 1.00 15.00 H new ATOM 0 HE2 LYS B 137 -0.368 5.033 10.897 1.00 15.00 H new ATOM 0 HE3 LYS B 137 1.062 4.120 10.459 1.00 15.00 H new ATOM 0 HZ1 LYS B 137 -0.235 3.145 12.307 1.00 15.00 H new ATOM 0 HZ2 LYS B 137 1.380 3.468 12.723 1.00 15.00 H new ATOM 0 HZ3 LYS B 137 0.141 4.497 13.263 1.00 15.00 H new ATOM 1956 N LYS B 138 5.455 6.845 9.562 1.00 15.00 N ATOM 1957 CA LYS B 138 6.516 7.524 10.285 1.00 15.00 C ATOM 1958 C LYS B 138 7.507 8.096 9.283 1.00 15.00 C ATOM 1959 O LYS B 138 8.051 9.184 9.479 1.00 15.00 O ATOM 1960 CB LYS B 138 7.220 6.562 11.248 1.00 15.00 C ATOM 1961 CG LYS B 138 8.124 7.256 12.258 1.00 15.00 C ATOM 1962 CD LYS B 138 7.347 8.247 13.111 1.00 15.00 C ATOM 1963 CE LYS B 138 8.202 8.824 14.228 1.00 15.00 C ATOM 1964 NZ LYS B 138 8.550 7.805 15.253 1.00 15.00 N1+ ATOM 0 H LYS B 138 5.528 5.828 9.563 1.00 15.00 H new ATOM 0 HA LYS B 138 6.088 8.332 10.879 1.00 15.00 H new ATOM 0 HB2 LYS B 138 6.467 5.984 11.785 1.00 15.00 H new ATOM 0 HB3 LYS B 138 7.813 5.853 10.670 1.00 15.00 H new ATOM 0 HG2 LYS B 138 8.593 6.511 12.900 1.00 15.00 H new ATOM 0 HG3 LYS B 138 8.926 7.776 11.734 1.00 15.00 H new ATOM 0 HD2 LYS B 138 6.977 9.056 12.482 1.00 15.00 H new ATOM 0 HD3 LYS B 138 6.475 7.752 13.539 1.00 15.00 H new ATOM 0 HE2 LYS B 138 9.117 9.239 13.805 1.00 15.00 H new ATOM 0 HE3 LYS B 138 7.669 9.647 14.703 1.00 15.00 H new ATOM 0 HZ1 LYS B 138 8.954 8.276 16.088 1.00 15.00 H new ATOM 0 HZ2 LYS B 138 7.693 7.284 15.530 1.00 15.00 H new ATOM 0 HZ3 LYS B 138 9.247 7.141 14.860 1.00 15.00 H new ATOM 1978 N GLU B 139 7.720 7.350 8.200 1.00 15.00 N ATOM 1979 CA GLU B 139 8.619 7.768 7.134 1.00 15.00 C ATOM 1980 C GLU B 139 8.131 9.065 6.521 1.00 15.00 C ATOM 1981 O GLU B 139 8.924 9.921 6.168 1.00 15.00 O ATOM 1982 CB GLU B 139 8.725 6.693 6.050 1.00 15.00 C ATOM 1983 CG GLU B 139 9.710 5.586 6.381 1.00 15.00 C ATOM 1984 CD GLU B 139 11.094 6.121 6.691 1.00 15.00 C ATOM 1985 OE1 GLU B 139 11.974 6.075 5.804 1.00 15.00 O ATOM 1986 OE2 GLU B 139 11.307 6.598 7.818 1.00 15.00 O1- ATOM 0 H GLU B 139 7.276 6.446 8.040 1.00 15.00 H new ATOM 0 HA GLU B 139 9.608 7.920 7.566 1.00 15.00 H new ATOM 0 HB2 GLU B 139 7.740 6.254 5.888 1.00 15.00 H new ATOM 0 HB3 GLU B 139 9.022 7.163 5.113 1.00 15.00 H new ATOM 0 HG2 GLU B 139 9.342 5.019 7.236 1.00 15.00 H new ATOM 0 HG3 GLU B 139 9.770 4.893 5.542 1.00 15.00 H new ATOM 1993 N ALA B 140 6.819 9.204 6.407 1.00 15.00 N ATOM 1994 CA ALA B 140 6.224 10.410 5.843 1.00 15.00 C ATOM 1995 C ALA B 140 6.674 11.647 6.615 1.00 15.00 C ATOM 1996 O ALA B 140 6.943 12.695 6.026 1.00 15.00 O ATOM 1997 CB ALA B 140 4.707 10.302 5.849 1.00 15.00 C ATOM 0 H ALA B 140 6.144 8.497 6.697 1.00 15.00 H new ATOM 0 HA ALA B 140 6.563 10.511 4.812 1.00 15.00 H new ATOM 0 HB1 ALA B 140 4.276 11.209 5.425 1.00 15.00 H new ATOM 0 HB2 ALA B 140 4.401 9.442 5.253 1.00 15.00 H new ATOM 0 HB3 ALA B 140 4.355 10.177 6.873 1.00 15.00 H new ATOM 2003 N GLU B 141 6.783 11.510 7.928 1.00 15.00 N ATOM 2004 CA GLU B 141 7.200 12.615 8.780 1.00 15.00 C ATOM 2005 C GLU B 141 8.725 12.732 8.824 1.00 15.00 C ATOM 2006 O GLU B 141 9.275 13.833 8.824 1.00 15.00 O ATOM 2007 CB GLU B 141 6.643 12.432 10.196 1.00 15.00 C ATOM 2008 CG GLU B 141 5.411 13.280 10.492 1.00 15.00 C ATOM 2009 CD GLU B 141 4.258 13.014 9.542 1.00 15.00 C ATOM 2010 OE1 GLU B 141 4.079 13.790 8.581 1.00 15.00 O ATOM 2011 OE2 GLU B 141 3.515 12.033 9.761 1.00 15.00 O1- ATOM 0 H GLU B 141 6.588 10.643 8.428 1.00 15.00 H new ATOM 0 HA GLU B 141 6.801 13.537 8.357 1.00 15.00 H new ATOM 0 HB2 GLU B 141 6.392 11.382 10.344 1.00 15.00 H new ATOM 0 HB3 GLU B 141 7.423 12.678 10.917 1.00 15.00 H new ATOM 0 HG2 GLU B 141 5.083 13.088 11.514 1.00 15.00 H new ATOM 0 HG3 GLU B 141 5.682 14.334 10.437 1.00 15.00 H new ATOM 2018 N ARG B 142 9.407 11.593 8.846 1.00 15.00 N ATOM 2019 CA ARG B 142 10.868 11.576 8.902 1.00 15.00 C ATOM 2020 C ARG B 142 11.488 12.021 7.579 1.00 15.00 C ATOM 2021 O ARG B 142 12.423 12.818 7.565 1.00 15.00 O ATOM 2022 CB ARG B 142 11.382 10.182 9.272 1.00 15.00 C ATOM 2023 CG ARG B 142 12.872 10.152 9.586 1.00 15.00 C ATOM 2024 CD ARG B 142 13.337 8.760 9.979 1.00 15.00 C ATOM 2025 NE ARG B 142 13.353 7.842 8.842 1.00 15.00 N ATOM 2026 CZ ARG B 142 14.462 7.391 8.256 1.00 15.00 C ATOM 2027 NH1 ARG B 142 15.655 7.766 8.704 1.00 15.00 N1+ ATOM 2028 NH2 ARG B 142 14.368 6.567 7.216 1.00 15.00 N ATOM 0 H ARG B 142 8.975 10.669 8.826 1.00 15.00 H new ATOM 0 HA ARG B 142 11.168 12.284 9.675 1.00 15.00 H new ATOM 0 HB2 ARG B 142 10.828 9.816 10.137 1.00 15.00 H new ATOM 0 HB3 ARG B 142 11.177 9.497 8.449 1.00 15.00 H new ATOM 0 HG2 ARG B 142 13.434 10.491 8.716 1.00 15.00 H new ATOM 0 HG3 ARG B 142 13.087 10.849 10.396 1.00 15.00 H new ATOM 0 HD2 ARG B 142 14.337 8.821 10.409 1.00 15.00 H new ATOM 0 HD3 ARG B 142 12.680 8.365 10.754 1.00 15.00 H new ATOM 0 HE ARG B 142 12.456 7.526 8.473 1.00 15.00 H new ATOM 0 HH11 ARG B 142 15.725 8.401 9.499 1.00 15.00 H new ATOM 0 HH12 ARG B 142 16.501 7.419 8.253 1.00 15.00 H new ATOM 0 HH21 ARG B 142 13.451 6.284 6.871 1.00 15.00 H new ATOM 0 HH22 ARG B 142 15.213 6.219 6.763 1.00 15.00 H new ATOM 2042 N LYS B 143 10.955 11.517 6.472 1.00 15.00 N ATOM 2043 CA LYS B 143 11.462 11.848 5.142 1.00 15.00 C ATOM 2044 C LYS B 143 11.344 13.340 4.861 1.00 15.00 C ATOM 2045 O LYS B 143 12.148 13.900 4.116 1.00 15.00 O ATOM 2046 CB LYS B 143 10.714 11.055 4.067 1.00 15.00 C ATOM 2047 CG LYS B 143 11.213 9.625 3.898 1.00 15.00 C ATOM 2048 CD LYS B 143 12.485 9.574 3.065 1.00 15.00 C ATOM 2049 CE LYS B 143 12.952 8.146 2.833 1.00 15.00 C ATOM 2050 NZ LYS B 143 13.570 7.557 4.050 1.00 15.00 N1+ ATOM 0 H LYS B 143 10.165 10.872 6.468 1.00 15.00 H new ATOM 0 HA LYS B 143 12.517 11.576 5.115 1.00 15.00 H new ATOM 0 HB2 LYS B 143 9.653 11.032 4.318 1.00 15.00 H new ATOM 0 HB3 LYS B 143 10.806 11.577 3.114 1.00 15.00 H new ATOM 0 HG2 LYS B 143 11.400 9.186 4.878 1.00 15.00 H new ATOM 0 HG3 LYS B 143 10.440 9.023 3.421 1.00 15.00 H new ATOM 0 HD2 LYS B 143 12.310 10.060 2.105 1.00 15.00 H new ATOM 0 HD3 LYS B 143 13.272 10.136 3.568 1.00 15.00 H new ATOM 0 HE2 LYS B 143 12.105 7.533 2.524 1.00 15.00 H new ATOM 0 HE3 LYS B 143 13.673 8.129 2.016 1.00 15.00 H new ATOM 0 HZ1 LYS B 143 14.217 6.791 3.775 1.00 15.00 H new ATOM 0 HZ2 LYS B 143 14.100 8.292 4.560 1.00 15.00 H new ATOM 0 HZ3 LYS B 143 12.825 7.176 4.668 1.00 15.00 H new ATOM 2064 N ALA B 144 10.342 13.978 5.459 1.00 15.00 N ATOM 2065 CA ALA B 144 10.127 15.407 5.275 1.00 15.00 C ATOM 2066 C ALA B 144 11.335 16.199 5.761 1.00 15.00 C ATOM 2067 O ALA B 144 11.773 17.146 5.109 1.00 15.00 O ATOM 2068 CB ALA B 144 8.872 15.857 6.011 1.00 15.00 C ATOM 0 H ALA B 144 9.666 13.526 6.075 1.00 15.00 H new ATOM 0 HA ALA B 144 9.994 15.597 4.210 1.00 15.00 H new ATOM 0 HB1 ALA B 144 8.727 16.927 5.862 1.00 15.00 H new ATOM 0 HB2 ALA B 144 8.009 15.317 5.622 1.00 15.00 H new ATOM 0 HB3 ALA B 144 8.981 15.650 7.076 1.00 15.00 H new ATOM 2074 N LEU B 145 11.877 15.789 6.901 1.00 15.00 N ATOM 2075 CA LEU B 145 13.035 16.456 7.489 1.00 15.00 C ATOM 2076 C LEU B 145 14.335 15.872 6.940 1.00 15.00 C ATOM 2077 O LEU B 145 15.309 16.593 6.716 1.00 15.00 O ATOM 2078 CB LEU B 145 13.026 16.315 9.019 1.00 15.00 C ATOM 2079 CG LEU B 145 12.154 17.319 9.788 1.00 15.00 C ATOM 2080 CD1 LEU B 145 12.543 18.746 9.441 1.00 15.00 C ATOM 2081 CD2 LEU B 145 10.676 17.088 9.501 1.00 15.00 C ATOM 0 H LEU B 145 11.532 14.994 7.440 1.00 15.00 H new ATOM 0 HA LEU B 145 12.976 17.512 7.224 1.00 15.00 H new ATOM 0 HB2 LEU B 145 12.690 15.308 9.268 1.00 15.00 H new ATOM 0 HB3 LEU B 145 14.051 16.407 9.377 1.00 15.00 H new ATOM 0 HG LEU B 145 12.324 17.163 10.853 1.00 15.00 H new ATOM 0 HD11 LEU B 145 11.913 19.440 9.997 1.00 15.00 H new ATOM 0 HD12 LEU B 145 13.587 18.913 9.705 1.00 15.00 H new ATOM 0 HD13 LEU B 145 12.408 18.910 8.372 1.00 15.00 H new ATOM 0 HD21 LEU B 145 10.080 17.811 10.057 1.00 15.00 H new ATOM 0 HD22 LEU B 145 10.489 17.208 8.434 1.00 15.00 H new ATOM 0 HD23 LEU B 145 10.399 16.079 9.806 1.00 15.00 H new ATOM 2093 N GLU B 146 14.335 14.563 6.725 1.00 15.00 N ATOM 2094 CA GLU B 146 15.502 13.857 6.215 1.00 15.00 C ATOM 2095 C GLU B 146 15.915 14.378 4.842 1.00 15.00 C ATOM 2096 O GLU B 146 17.050 14.807 4.656 1.00 15.00 O ATOM 2097 CB GLU B 146 15.221 12.354 6.144 1.00 15.00 C ATOM 2098 CG GLU B 146 16.294 11.562 5.416 1.00 15.00 C ATOM 2099 CD GLU B 146 16.092 10.068 5.521 1.00 15.00 C ATOM 2100 OE1 GLU B 146 15.338 9.502 4.704 1.00 15.00 O ATOM 2101 OE2 GLU B 146 16.711 9.450 6.411 1.00 15.00 O1- ATOM 0 H GLU B 146 13.529 13.963 6.899 1.00 15.00 H new ATOM 0 HA GLU B 146 16.327 14.037 6.904 1.00 15.00 H new ATOM 0 HB2 GLU B 146 15.120 11.965 7.157 1.00 15.00 H new ATOM 0 HB3 GLU B 146 14.265 12.196 5.645 1.00 15.00 H new ATOM 0 HG2 GLU B 146 16.301 11.850 4.365 1.00 15.00 H new ATOM 0 HG3 GLU B 146 17.271 11.822 5.824 1.00 15.00 H new ATOM 2108 N ASP B 147 14.983 14.366 3.892 1.00 15.00 N ATOM 2109 CA ASP B 147 15.269 14.821 2.531 1.00 15.00 C ATOM 2110 C ASP B 147 15.455 16.336 2.491 1.00 15.00 C ATOM 2111 O ASP B 147 16.014 16.883 1.538 1.00 15.00 O ATOM 2112 CB ASP B 147 14.144 14.398 1.583 1.00 15.00 C ATOM 2113 CG ASP B 147 14.500 14.607 0.123 1.00 15.00 C ATOM 2114 OD1 ASP B 147 15.516 14.036 -0.339 1.00 15.00 O ATOM 2115 OD2 ASP B 147 13.761 15.332 -0.576 1.00 15.00 O1- ATOM 0 H ASP B 147 14.025 14.047 4.038 1.00 15.00 H new ATOM 0 HA ASP B 147 16.199 14.355 2.204 1.00 15.00 H new ATOM 0 HB2 ASP B 147 13.911 13.346 1.749 1.00 15.00 H new ATOM 0 HB3 ASP B 147 13.243 14.965 1.818 1.00 15.00 H new ATOM 2120 N LYS B 148 14.989 17.005 3.538 1.00 15.00 N ATOM 2121 CA LYS B 148 15.112 18.454 3.639 1.00 15.00 C ATOM 2122 C LYS B 148 16.558 18.835 3.926 1.00 15.00 C ATOM 2123 O LYS B 148 17.006 19.929 3.588 1.00 15.00 O ATOM 2124 CB LYS B 148 14.200 18.985 4.746 1.00 15.00 C ATOM 2125 CG LYS B 148 13.978 20.486 4.699 1.00 15.00 C ATOM 2126 CD LYS B 148 12.811 20.904 5.578 1.00 15.00 C ATOM 2127 CE LYS B 148 12.497 22.380 5.415 1.00 15.00 C ATOM 2128 NZ LYS B 148 11.132 22.714 5.899 1.00 15.00 N1+ ATOM 0 H LYS B 148 14.521 16.566 4.331 1.00 15.00 H new ATOM 0 HA LYS B 148 14.810 18.900 2.691 1.00 15.00 H new ATOM 0 HB2 LYS B 148 13.235 18.483 4.679 1.00 15.00 H new ATOM 0 HB3 LYS B 148 14.629 18.722 5.713 1.00 15.00 H new ATOM 0 HG2 LYS B 148 14.883 20.999 5.025 1.00 15.00 H new ATOM 0 HG3 LYS B 148 13.789 20.795 3.671 1.00 15.00 H new ATOM 0 HD2 LYS B 148 11.931 20.313 5.323 1.00 15.00 H new ATOM 0 HD3 LYS B 148 13.045 20.693 6.621 1.00 15.00 H new ATOM 0 HE2 LYS B 148 13.231 22.970 5.964 1.00 15.00 H new ATOM 0 HE3 LYS B 148 12.587 22.656 4.364 1.00 15.00 H new ATOM 0 HZ1 LYS B 148 10.957 23.731 5.770 1.00 15.00 H new ATOM 0 HZ2 LYS B 148 10.429 22.171 5.358 1.00 15.00 H new ATOM 0 HZ3 LYS B 148 11.053 22.474 6.908 1.00 15.00 H new ATOM 2142 N LEU B 149 17.284 17.918 4.555 1.00 15.00 N ATOM 2143 CA LEU B 149 18.682 18.137 4.887 1.00 15.00 C ATOM 2144 C LEU B 149 19.585 17.332 3.954 1.00 15.00 C ATOM 2145 O LEU B 149 20.646 17.802 3.534 1.00 15.00 O ATOM 2146 CB LEU B 149 18.943 17.750 6.345 1.00 15.00 C ATOM 2147 CG LEU B 149 20.291 18.210 6.901 1.00 15.00 C ATOM 2148 CD1 LEU B 149 20.258 19.694 7.232 1.00 15.00 C ATOM 2149 CD2 LEU B 149 20.666 17.397 8.125 1.00 15.00 C ATOM 0 H LEU B 149 16.922 17.010 4.846 1.00 15.00 H new ATOM 0 HA LEU B 149 18.910 19.195 4.758 1.00 15.00 H new ATOM 0 HB2 LEU B 149 18.149 18.168 6.964 1.00 15.00 H new ATOM 0 HB3 LEU B 149 18.880 16.666 6.435 1.00 15.00 H new ATOM 0 HG LEU B 149 21.050 18.049 6.136 1.00 15.00 H new ATOM 0 HD11 LEU B 149 21.227 20.001 7.626 1.00 15.00 H new ATOM 0 HD12 LEU B 149 20.037 20.263 6.329 1.00 15.00 H new ATOM 0 HD13 LEU B 149 19.486 19.883 7.978 1.00 15.00 H new ATOM 0 HD21 LEU B 149 21.628 17.738 8.507 1.00 15.00 H new ATOM 0 HD22 LEU B 149 19.904 17.524 8.894 1.00 15.00 H new ATOM 0 HD23 LEU B 149 20.736 16.343 7.855 1.00 15.00 H new ATOM 2161 N ALA B 150 19.153 16.118 3.628 1.00 15.00 N ATOM 2162 CA ALA B 150 19.908 15.242 2.741 1.00 15.00 C ATOM 2163 C ALA B 150 19.714 15.654 1.290 1.00 15.00 C ATOM 2164 O ALA B 150 18.871 15.103 0.576 1.00 15.00 O ATOM 2165 CB ALA B 150 19.501 13.787 2.942 1.00 15.00 C ATOM 0 H ALA B 150 18.279 15.717 3.968 1.00 15.00 H new ATOM 0 HA ALA B 150 20.965 15.338 2.988 1.00 15.00 H new ATOM 0 HB1 ALA B 150 20.077 13.152 2.270 1.00 15.00 H new ATOM 0 HB2 ALA B 150 19.695 13.494 3.974 1.00 15.00 H new ATOM 0 HB3 ALA B 150 18.439 13.673 2.727 1.00 15.00 H new ATOM 2171 N ASP B 151 20.495 16.633 0.870 1.00 15.00 N ATOM 2172 CA ASP B 151 20.436 17.150 -0.492 1.00 15.00 C ATOM 2173 C ASP B 151 20.788 16.070 -1.514 1.00 15.00 C ATOM 2174 O ASP B 151 19.945 15.658 -2.315 1.00 15.00 O ATOM 2175 CB ASP B 151 21.372 18.357 -0.658 1.00 15.00 C ATOM 2176 CG ASP B 151 22.617 18.279 0.211 1.00 15.00 C ATOM 2177 OD1 ASP B 151 22.867 19.227 0.983 1.00 15.00 O ATOM 2178 OD2 ASP B 151 23.348 17.267 0.132 1.00 15.00 O1- ATOM 0 H ASP B 151 21.188 17.094 1.460 1.00 15.00 H new ATOM 0 HA ASP B 151 19.411 17.471 -0.675 1.00 15.00 H new ATOM 0 HB2 ASP B 151 21.672 18.434 -1.703 1.00 15.00 H new ATOM 0 HB3 ASP B 151 20.825 19.268 -0.415 1.00 15.00 H new ATOM 2183 N TYR B 152 22.025 15.611 -1.481 1.00 15.00 N ATOM 2184 CA TYR B 152 22.489 14.588 -2.405 1.00 15.00 C ATOM 2185 C TYR B 152 22.859 13.326 -1.642 1.00 15.00 C ATOM 2186 O TYR B 152 22.683 12.220 -2.200 1.00 15.00 O ATOM 2187 CB TYR B 152 23.693 15.097 -3.204 1.00 15.00 C ATOM 2188 CG TYR B 152 23.402 16.331 -4.027 1.00 15.00 C ATOM 2189 CD1 TYR B 152 23.695 17.599 -3.540 1.00 15.00 C ATOM 2190 CD2 TYR B 152 22.829 16.229 -5.291 1.00 15.00 C ATOM 2191 CE1 TYR B 152 23.428 18.728 -4.287 1.00 15.00 C ATOM 2192 CE2 TYR B 152 22.559 17.354 -6.044 1.00 15.00 C ATOM 2193 CZ TYR B 152 22.860 18.601 -5.537 1.00 15.00 C ATOM 2194 OH TYR B 152 22.597 19.726 -6.283 1.00 15.00 O ATOM 2195 OXT TYR B 152 23.313 13.444 -0.487 1.00 15.00 O1- ATOM 0 H TYR B 152 22.732 15.932 -0.820 1.00 15.00 H new ATOM 0 HA TYR B 152 21.684 14.355 -3.102 1.00 15.00 H new ATOM 0 HB2 TYR B 152 24.508 15.316 -2.515 1.00 15.00 H new ATOM 0 HB3 TYR B 152 24.039 14.304 -3.866 1.00 15.00 H new ATOM 0 HD1 TYR B 152 24.139 17.703 -2.561 1.00 15.00 H new ATOM 0 HD2 TYR B 152 22.592 15.254 -5.689 1.00 15.00 H new ATOM 0 HE1 TYR B 152 23.663 19.706 -3.895 1.00 15.00 H new ATOM 0 HE2 TYR B 152 22.115 17.258 -7.024 1.00 15.00 H new ATOM 0 HH TYR B 152 22.198 19.465 -7.139 1.00 15.00 H new