USER MOD reduce.3.24.130724 H: found=0, std=0, add=972, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 970 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 81 THR OG1 : rot 106:sc= 0.499 USER MOD Set 1.2: A 83 THR OG1 : rot 180:sc= 1.11 USER MOD Set 1.3: A 86 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 66 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 67 ASN : amide:sc= 0.268 K(o=0.27,f=-6.3!) USER MOD Set 3.1: A 6 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 33 SER OG : rot -22:sc= 0.14 USER MOD Single : A 1 GLY N :NH3+ -124:sc= 0.0838 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl -157:sc= -0.102 (180deg=-0.514) USER MOD Single : A 10 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.000358) USER MOD Single : A 14 MET CE :methyl -109:sc= -0.912 (180deg=-0.952) USER MOD Single : A 16 HIS : no HD1:sc= -0.215 X(o=-0.22,f=-0.044) USER MOD Single : A 17 TYR OH : rot -89:sc= 1.93 USER MOD Single : A 18 THR OG1 : rot -15:sc= 1.04 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -0.362 K(o=-0.36,f=-2.6) USER MOD Single : A 25 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0213) USER MOD Single : A 27 HIS : no HD1:sc= -3.81! K(o=-3.8!,f=-1.4) USER MOD Single : A 28 TYR OH : rot -32:sc= 1.18 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 CYS SG : rot 11:sc= -0.191 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 41 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 SER OG : rot 9:sc= 0.832 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot -111:sc= 0.566 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -2.77 K(o=-2.8,f=-4!) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= 0.639 K(o=0.64,f=-0.79) USER MOD Single : A 75 HIS : no HD1:sc= -11.1! C(o=-11!,f=-14!) USER MOD Single : A 76 CYS SG : rot -25:sc=0.000706 USER MOD Single : A 84 MET CE :methyl 168:sc= -1.54 (180deg=-2.09) USER MOD Single : A 91 ASN : amide:sc= -3.33 K(o=-3.3,f=-5.3!) USER MOD Single : A 92 ASN : amide:sc= -1.79 K(o=-1.8,f=-4.2!) USER MOD Single : A 95 SER OG : rot 180:sc= -0.0509 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 HIS : no HD1:sc= -0.229 X(o=-0.23,f=-0.23) USER MOD Single : A 98 ASN : amide:sc= -5.65! C(o=-5.7!,f=-12!) USER MOD Single : A 104 THR OG1 : rot -33:sc= 0.42 USER MOD Single : A 112 GLN : amide:sc= -0.104 K(o=-0.1,f=-1.8!) USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 116 LYS NZ :NH3+ 141:sc= -0.72 (180deg=-2.53!) USER MOD Single : A 120 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 123 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 124 SER OG : rot -61:sc= 0.594 USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD Single : A 128 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -13.869 26.079 15.878 1.00 0.00 N ATOM 2 CA GLY A 1 -14.019 24.666 15.582 1.00 0.00 C ATOM 3 C GLY A 1 -12.697 23.924 15.615 1.00 0.00 C ATOM 4 O GLY A 1 -11.636 24.536 15.724 1.00 0.00 O ATOM 0 H1 GLY A 1 -14.480 26.332 16.681 1.00 0.00 H new ATOM 0 H2 GLY A 1 -12.878 26.280 16.121 1.00 0.00 H new ATOM 0 H3 GLY A 1 -14.142 26.639 15.045 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -14.702 24.217 16.303 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -14.473 24.550 14.598 1.00 0.00 H new ATOM 8 N SER A 2 -12.762 22.599 15.521 1.00 0.00 N ATOM 9 CA SER A 2 -11.562 21.771 15.547 1.00 0.00 C ATOM 10 C SER A 2 -11.019 21.558 14.137 1.00 0.00 C ATOM 11 O SER A 2 -11.758 21.645 13.156 1.00 0.00 O ATOM 12 CB SER A 2 -11.862 20.421 16.199 1.00 0.00 C ATOM 13 OG SER A 2 -12.157 20.574 17.577 1.00 0.00 O ATOM 0 H SER A 2 -13.633 22.077 15.426 1.00 0.00 H new ATOM 0 HA SER A 2 -10.805 22.290 16.135 1.00 0.00 H new ATOM 0 HB2 SER A 2 -12.705 19.949 15.694 1.00 0.00 H new ATOM 0 HB3 SER A 2 -11.006 19.757 16.079 1.00 0.00 H new ATOM 0 HG SER A 2 -12.347 19.697 17.970 1.00 0.00 H new ATOM 19 N SER A 3 -9.723 21.279 14.045 1.00 0.00 N ATOM 20 CA SER A 3 -9.079 21.058 12.756 1.00 0.00 C ATOM 21 C SER A 3 -9.572 19.763 12.117 1.00 0.00 C ATOM 22 O SER A 3 -10.017 19.753 10.971 1.00 0.00 O ATOM 23 CB SER A 3 -7.559 21.011 12.923 1.00 0.00 C ATOM 24 OG SER A 3 -6.919 20.723 11.691 1.00 0.00 O ATOM 0 H SER A 3 -9.098 21.201 14.848 1.00 0.00 H new ATOM 0 HA SER A 3 -9.340 21.889 12.100 1.00 0.00 H new ATOM 0 HB2 SER A 3 -7.202 21.967 13.307 1.00 0.00 H new ATOM 0 HB3 SER A 3 -7.294 20.253 13.660 1.00 0.00 H new ATOM 0 HG SER A 3 -5.948 20.700 11.824 1.00 0.00 H new ATOM 30 N GLY A 4 -9.488 18.670 12.870 1.00 0.00 N ATOM 31 CA GLY A 4 -9.929 17.384 12.362 1.00 0.00 C ATOM 32 C GLY A 4 -9.324 16.221 13.125 1.00 0.00 C ATOM 33 O GLY A 4 -8.905 16.373 14.272 1.00 0.00 O ATOM 0 H GLY A 4 -9.123 18.652 13.822 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -11.016 17.327 12.421 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -9.662 17.302 11.308 1.00 0.00 H new ATOM 37 N SER A 5 -9.280 15.056 12.487 1.00 0.00 N ATOM 38 CA SER A 5 -8.728 13.861 13.114 1.00 0.00 C ATOM 39 C SER A 5 -7.642 13.241 12.240 1.00 0.00 C ATOM 40 O SER A 5 -7.564 12.021 12.101 1.00 0.00 O ATOM 41 CB SER A 5 -9.835 12.838 13.375 1.00 0.00 C ATOM 42 OG SER A 5 -10.419 12.398 12.161 1.00 0.00 O ATOM 0 H SER A 5 -9.620 14.914 11.536 1.00 0.00 H new ATOM 0 HA SER A 5 -8.282 14.153 14.065 1.00 0.00 H new ATOM 0 HB2 SER A 5 -9.426 11.985 13.916 1.00 0.00 H new ATOM 0 HB3 SER A 5 -10.601 13.281 14.011 1.00 0.00 H new ATOM 0 HG SER A 5 -11.122 11.744 12.355 1.00 0.00 H new ATOM 48 N SER A 6 -6.806 14.092 11.654 1.00 0.00 N ATOM 49 CA SER A 6 -5.726 13.630 10.790 1.00 0.00 C ATOM 50 C SER A 6 -4.841 12.623 11.518 1.00 0.00 C ATOM 51 O SER A 6 -4.422 12.853 12.652 1.00 0.00 O ATOM 52 CB SER A 6 -4.884 14.814 10.312 1.00 0.00 C ATOM 53 OG SER A 6 -3.852 14.387 9.440 1.00 0.00 O ATOM 0 H SER A 6 -6.856 15.105 11.762 1.00 0.00 H new ATOM 0 HA SER A 6 -6.171 13.138 9.925 1.00 0.00 H new ATOM 0 HB2 SER A 6 -5.522 15.535 9.800 1.00 0.00 H new ATOM 0 HB3 SER A 6 -4.450 15.326 11.171 1.00 0.00 H new ATOM 0 HG SER A 6 -3.329 15.163 9.147 1.00 0.00 H new ATOM 59 N GLY A 7 -4.561 11.504 10.857 1.00 0.00 N ATOM 60 CA GLY A 7 -3.727 10.477 11.456 1.00 0.00 C ATOM 61 C GLY A 7 -3.559 9.269 10.556 1.00 0.00 C ATOM 62 O GLY A 7 -3.980 9.285 9.399 1.00 0.00 O ATOM 0 H GLY A 7 -4.896 11.290 9.918 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -2.747 10.896 11.683 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -4.167 10.163 12.403 1.00 0.00 H new ATOM 66 N MET A 8 -2.941 8.219 11.087 1.00 0.00 N ATOM 67 CA MET A 8 -2.717 6.997 10.322 1.00 0.00 C ATOM 68 C MET A 8 -3.969 6.608 9.542 1.00 0.00 C ATOM 69 O MET A 8 -5.060 7.111 9.808 1.00 0.00 O ATOM 70 CB MET A 8 -2.308 5.855 11.254 1.00 0.00 C ATOM 71 CG MET A 8 -3.451 5.324 12.103 1.00 0.00 C ATOM 72 SD MET A 8 -3.756 6.331 13.567 1.00 0.00 S ATOM 73 CE MET A 8 -2.300 5.960 14.542 1.00 0.00 C ATOM 0 H MET A 8 -2.587 8.189 12.043 1.00 0.00 H new ATOM 0 HA MET A 8 -1.911 7.184 9.612 1.00 0.00 H new ATOM 0 HB2 MET A 8 -1.900 5.039 10.658 1.00 0.00 H new ATOM 0 HB3 MET A 8 -1.509 6.201 11.910 1.00 0.00 H new ATOM 0 HG2 MET A 8 -4.358 5.283 11.500 1.00 0.00 H new ATOM 0 HG3 MET A 8 -3.226 4.303 12.410 1.00 0.00 H new ATOM 0 HE1 MET A 8 -2.508 6.153 15.594 1.00 0.00 H new ATOM 0 HE2 MET A 8 -2.032 4.912 14.411 1.00 0.00 H new ATOM 0 HE3 MET A 8 -1.473 6.590 14.215 1.00 0.00 H new ATOM 83 N VAL A 9 -3.803 5.710 8.576 1.00 0.00 N ATOM 84 CA VAL A 9 -4.919 5.253 7.757 1.00 0.00 C ATOM 85 C VAL A 9 -4.970 3.731 7.697 1.00 0.00 C ATOM 86 O VAL A 9 -5.976 3.117 8.054 1.00 0.00 O ATOM 87 CB VAL A 9 -4.828 5.809 6.323 1.00 0.00 C ATOM 88 CG1 VAL A 9 -5.976 5.287 5.474 1.00 0.00 C ATOM 89 CG2 VAL A 9 -4.816 7.330 6.342 1.00 0.00 C ATOM 0 H VAL A 9 -2.906 5.285 8.342 1.00 0.00 H new ATOM 0 HA VAL A 9 -5.829 5.626 8.227 1.00 0.00 H new ATOM 0 HB VAL A 9 -3.894 5.467 5.877 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -5.895 5.690 4.465 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -5.933 4.199 5.434 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -6.924 5.597 5.914 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -4.751 7.706 5.321 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -5.732 7.695 6.806 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -3.956 7.680 6.913 1.00 0.00 H new ATOM 99 N LYS A 10 -3.878 3.125 7.244 1.00 0.00 N ATOM 100 CA LYS A 10 -3.795 1.673 7.139 1.00 0.00 C ATOM 101 C LYS A 10 -2.348 1.202 7.236 1.00 0.00 C ATOM 102 O LYS A 10 -1.421 1.949 6.926 1.00 0.00 O ATOM 103 CB LYS A 10 -4.409 1.201 5.819 1.00 0.00 C ATOM 104 CG LYS A 10 -4.574 -0.306 5.729 1.00 0.00 C ATOM 105 CD LYS A 10 -5.703 -0.688 4.786 1.00 0.00 C ATOM 106 CE LYS A 10 -6.136 -2.132 4.991 1.00 0.00 C ATOM 107 NZ LYS A 10 -7.072 -2.272 6.141 1.00 0.00 N ATOM 0 H LYS A 10 -3.037 3.618 6.943 1.00 0.00 H new ATOM 0 HA LYS A 10 -4.355 1.241 7.968 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -5.383 1.673 5.692 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -3.781 1.539 4.995 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -3.643 -0.755 5.384 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -4.774 -0.711 6.721 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -6.553 -0.026 4.948 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -5.380 -0.547 3.754 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -6.617 -2.499 4.084 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -5.257 -2.754 5.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -7.357 -3.268 6.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -6.599 -1.961 7.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -7.915 -1.685 5.976 1.00 0.00 H new ATOM 121 N GLU A 11 -2.163 -0.042 7.667 1.00 0.00 N ATOM 122 CA GLU A 11 -0.827 -0.612 7.803 1.00 0.00 C ATOM 123 C GLU A 11 -0.889 -2.135 7.860 1.00 0.00 C ATOM 124 O GLU A 11 -1.937 -2.715 8.141 1.00 0.00 O ATOM 125 CB GLU A 11 -0.144 -0.071 9.061 1.00 0.00 C ATOM 126 CG GLU A 11 -0.923 -0.337 10.339 1.00 0.00 C ATOM 127 CD GLU A 11 -1.280 -1.800 10.511 1.00 0.00 C ATOM 128 OE1 GLU A 11 -0.359 -2.643 10.474 1.00 0.00 O ATOM 129 OE2 GLU A 11 -2.479 -2.103 10.682 1.00 0.00 O ATOM 0 H GLU A 11 -2.920 -0.674 7.928 1.00 0.00 H new ATOM 0 HA GLU A 11 -0.245 -0.322 6.928 1.00 0.00 H new ATOM 0 HB2 GLU A 11 0.845 -0.520 9.149 1.00 0.00 H new ATOM 0 HB3 GLU A 11 0.002 1.004 8.951 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -0.333 -0.008 11.195 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -1.836 0.258 10.334 1.00 0.00 H new ATOM 136 N GLY A 12 0.243 -2.778 7.590 1.00 0.00 N ATOM 137 CA GLY A 12 0.297 -4.228 7.614 1.00 0.00 C ATOM 138 C GLY A 12 1.207 -4.793 6.542 1.00 0.00 C ATOM 139 O GLY A 12 1.554 -4.100 5.585 1.00 0.00 O ATOM 0 H GLY A 12 1.124 -2.320 7.355 1.00 0.00 H new ATOM 0 HA2 GLY A 12 0.645 -4.559 8.593 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -0.708 -4.628 7.481 1.00 0.00 H new ATOM 143 N TRP A 13 1.597 -6.052 6.702 1.00 0.00 N ATOM 144 CA TRP A 13 2.475 -6.709 5.740 1.00 0.00 C ATOM 145 C TRP A 13 1.737 -6.996 4.437 1.00 0.00 C ATOM 146 O TRP A 13 0.610 -7.490 4.447 1.00 0.00 O ATOM 147 CB TRP A 13 3.025 -8.010 6.326 1.00 0.00 C ATOM 148 CG TRP A 13 3.866 -7.802 7.549 1.00 0.00 C ATOM 149 CD1 TRP A 13 3.425 -7.483 8.802 1.00 0.00 C ATOM 150 CD2 TRP A 13 5.291 -7.897 7.635 1.00 0.00 C ATOM 151 NE1 TRP A 13 4.491 -7.374 9.661 1.00 0.00 N ATOM 152 CE2 TRP A 13 5.647 -7.624 8.970 1.00 0.00 C ATOM 153 CE3 TRP A 13 6.302 -8.188 6.715 1.00 0.00 C ATOM 154 CZ2 TRP A 13 6.970 -7.632 9.405 1.00 0.00 C ATOM 155 CZ3 TRP A 13 7.615 -8.195 7.148 1.00 0.00 C ATOM 156 CH2 TRP A 13 7.939 -7.920 8.483 1.00 0.00 C ATOM 0 H TRP A 13 1.319 -6.639 7.489 1.00 0.00 H new ATOM 0 HA TRP A 13 3.305 -6.036 5.525 1.00 0.00 H new ATOM 0 HB2 TRP A 13 2.193 -8.669 6.574 1.00 0.00 H new ATOM 0 HB3 TRP A 13 3.619 -8.519 5.567 1.00 0.00 H new ATOM 0 HD1 TRP A 13 2.391 -7.338 9.077 1.00 0.00 H new ATOM 0 HE1 TRP A 13 4.432 -7.144 10.653 1.00 0.00 H new ATOM 0 HE3 TRP A 13 6.062 -8.404 5.684 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 7.222 -7.419 10.433 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 8.404 -8.416 6.445 1.00 0.00 H new ATOM 0 HH2 TRP A 13 8.974 -7.936 8.790 1.00 0.00 H new ATOM 167 N MET A 14 2.380 -6.683 3.316 1.00 0.00 N ATOM 168 CA MET A 14 1.783 -6.910 2.005 1.00 0.00 C ATOM 169 C MET A 14 2.834 -7.379 1.003 1.00 0.00 C ATOM 170 O MET A 14 4.018 -7.074 1.143 1.00 0.00 O ATOM 171 CB MET A 14 1.113 -5.631 1.498 1.00 0.00 C ATOM 172 CG MET A 14 0.342 -5.821 0.202 1.00 0.00 C ATOM 173 SD MET A 14 -1.099 -6.887 0.402 1.00 0.00 S ATOM 174 CE MET A 14 -2.248 -5.759 1.186 1.00 0.00 C ATOM 0 H MET A 14 3.313 -6.272 3.290 1.00 0.00 H new ATOM 0 HA MET A 14 1.029 -7.691 2.107 1.00 0.00 H new ATOM 0 HB2 MET A 14 0.433 -5.259 2.264 1.00 0.00 H new ATOM 0 HB3 MET A 14 1.875 -4.866 1.349 1.00 0.00 H new ATOM 0 HG2 MET A 14 0.021 -4.849 -0.171 1.00 0.00 H new ATOM 0 HG3 MET A 14 1.004 -6.249 -0.551 1.00 0.00 H new ATOM 0 HE1 MET A 14 -2.387 -6.047 2.228 1.00 0.00 H new ATOM 0 HE2 MET A 14 -1.851 -4.745 1.140 1.00 0.00 H new ATOM 0 HE3 MET A 14 -3.206 -5.797 0.668 1.00 0.00 H new ATOM 184 N VAL A 15 2.392 -8.122 -0.006 1.00 0.00 N ATOM 185 CA VAL A 15 3.294 -8.632 -1.032 1.00 0.00 C ATOM 186 C VAL A 15 2.994 -8.007 -2.389 1.00 0.00 C ATOM 187 O VAL A 15 1.840 -7.723 -2.712 1.00 0.00 O ATOM 188 CB VAL A 15 3.197 -10.165 -1.152 1.00 0.00 C ATOM 189 CG1 VAL A 15 3.547 -10.828 0.171 1.00 0.00 C ATOM 190 CG2 VAL A 15 1.807 -10.575 -1.613 1.00 0.00 C ATOM 0 H VAL A 15 1.415 -8.384 -0.135 1.00 0.00 H new ATOM 0 HA VAL A 15 4.305 -8.361 -0.727 1.00 0.00 H new ATOM 0 HB VAL A 15 3.916 -10.500 -1.899 1.00 0.00 H new ATOM 0 HG11 VAL A 15 3.473 -11.910 0.066 1.00 0.00 H new ATOM 0 HG12 VAL A 15 4.565 -10.560 0.454 1.00 0.00 H new ATOM 0 HG13 VAL A 15 2.855 -10.490 0.942 1.00 0.00 H new ATOM 0 HG21 VAL A 15 1.756 -11.661 -1.693 1.00 0.00 H new ATOM 0 HG22 VAL A 15 1.067 -10.229 -0.891 1.00 0.00 H new ATOM 0 HG23 VAL A 15 1.600 -10.130 -2.586 1.00 0.00 H new ATOM 200 N HIS A 16 4.041 -7.793 -3.181 1.00 0.00 N ATOM 201 CA HIS A 16 3.889 -7.202 -4.505 1.00 0.00 C ATOM 202 C HIS A 16 5.033 -7.624 -5.423 1.00 0.00 C ATOM 203 O HIS A 16 6.090 -8.049 -4.958 1.00 0.00 O ATOM 204 CB HIS A 16 3.838 -5.677 -4.403 1.00 0.00 C ATOM 205 CG HIS A 16 5.189 -5.030 -4.426 1.00 0.00 C ATOM 206 ND1 HIS A 16 6.166 -5.293 -3.489 1.00 0.00 N ATOM 207 CD2 HIS A 16 5.723 -4.127 -5.281 1.00 0.00 C ATOM 208 CE1 HIS A 16 7.242 -4.579 -3.766 1.00 0.00 C ATOM 209 NE2 HIS A 16 7.000 -3.863 -4.849 1.00 0.00 N ATOM 0 H HIS A 16 5.003 -8.020 -2.928 1.00 0.00 H new ATOM 0 HA HIS A 16 2.953 -7.562 -4.931 1.00 0.00 H new ATOM 0 HB2 HIS A 16 3.243 -5.286 -5.228 1.00 0.00 H new ATOM 0 HB3 HIS A 16 3.327 -5.400 -3.481 1.00 0.00 H new ATOM 0 HD2 HIS A 16 5.236 -3.695 -6.142 1.00 0.00 H new ATOM 0 HE1 HIS A 16 8.163 -4.580 -3.203 1.00 0.00 H new ATOM 0 HE2 HIS A 16 7.655 -3.219 -5.293 1.00 0.00 H new ATOM 218 N TYR A 17 4.813 -7.504 -6.727 1.00 0.00 N ATOM 219 CA TYR A 17 5.823 -7.876 -7.710 1.00 0.00 C ATOM 220 C TYR A 17 5.861 -6.873 -8.859 1.00 0.00 C ATOM 221 O TYR A 17 4.831 -6.330 -9.260 1.00 0.00 O ATOM 222 CB TYR A 17 5.545 -9.279 -8.252 1.00 0.00 C ATOM 223 CG TYR A 17 4.507 -9.309 -9.351 1.00 0.00 C ATOM 224 CD1 TYR A 17 4.871 -9.146 -10.682 1.00 0.00 C ATOM 225 CD2 TYR A 17 3.162 -9.501 -9.058 1.00 0.00 C ATOM 226 CE1 TYR A 17 3.925 -9.172 -11.689 1.00 0.00 C ATOM 227 CE2 TYR A 17 2.210 -9.530 -10.059 1.00 0.00 C ATOM 228 CZ TYR A 17 2.597 -9.364 -11.372 1.00 0.00 C ATOM 229 OH TYR A 17 1.652 -9.392 -12.373 1.00 0.00 O ATOM 0 H TYR A 17 3.944 -7.152 -7.128 1.00 0.00 H new ATOM 0 HA TYR A 17 6.794 -7.871 -7.215 1.00 0.00 H new ATOM 0 HB2 TYR A 17 6.475 -9.704 -8.630 1.00 0.00 H new ATOM 0 HB3 TYR A 17 5.213 -9.917 -7.433 1.00 0.00 H new ATOM 0 HD1 TYR A 17 5.911 -8.996 -10.934 1.00 0.00 H new ATOM 0 HD2 TYR A 17 2.856 -9.630 -8.030 1.00 0.00 H new ATOM 0 HE1 TYR A 17 4.224 -9.043 -12.719 1.00 0.00 H new ATOM 0 HE2 TYR A 17 1.169 -9.682 -9.814 1.00 0.00 H new ATOM 0 HH TYR A 17 1.329 -8.483 -12.543 1.00 0.00 H new ATOM 239 N THR A 18 7.058 -6.632 -9.386 1.00 0.00 N ATOM 240 CA THR A 18 7.233 -5.694 -10.488 1.00 0.00 C ATOM 241 C THR A 18 7.141 -6.405 -11.834 1.00 0.00 C ATOM 242 O THR A 18 7.310 -7.621 -11.917 1.00 0.00 O ATOM 243 CB THR A 18 8.587 -4.966 -10.397 1.00 0.00 C ATOM 244 OG1 THR A 18 9.659 -5.910 -10.493 1.00 0.00 O ATOM 245 CG2 THR A 18 8.699 -4.195 -9.090 1.00 0.00 C ATOM 0 H THR A 18 7.920 -7.074 -9.067 1.00 0.00 H new ATOM 0 HA THR A 18 6.429 -4.962 -10.410 1.00 0.00 H new ATOM 0 HB THR A 18 8.651 -4.260 -11.225 1.00 0.00 H new ATOM 0 HG1 THR A 18 9.312 -6.815 -10.346 1.00 0.00 H new ATOM 0 HG21 THR A 18 9.663 -3.689 -9.048 1.00 0.00 H new ATOM 0 HG22 THR A 18 7.899 -3.457 -9.033 1.00 0.00 H new ATOM 0 HG23 THR A 18 8.615 -4.886 -8.251 1.00 0.00 H new ATOM 253 N SER A 19 6.872 -5.638 -12.886 1.00 0.00 N ATOM 254 CA SER A 19 6.754 -6.195 -14.228 1.00 0.00 C ATOM 255 C SER A 19 8.060 -6.856 -14.658 1.00 0.00 C ATOM 256 O SER A 19 8.055 -7.907 -15.299 1.00 0.00 O ATOM 257 CB SER A 19 6.370 -5.100 -15.226 1.00 0.00 C ATOM 258 OG SER A 19 6.307 -5.612 -16.545 1.00 0.00 O ATOM 0 H SER A 19 6.732 -4.629 -12.834 1.00 0.00 H new ATOM 0 HA SER A 19 5.971 -6.953 -14.213 1.00 0.00 H new ATOM 0 HB2 SER A 19 5.405 -4.675 -14.951 1.00 0.00 H new ATOM 0 HB3 SER A 19 7.099 -4.291 -15.181 1.00 0.00 H new ATOM 0 HG SER A 19 6.058 -4.893 -17.163 1.00 0.00 H new ATOM 264 N ARG A 20 9.178 -6.231 -14.301 1.00 0.00 N ATOM 265 CA ARG A 20 10.492 -6.757 -14.651 1.00 0.00 C ATOM 266 C ARG A 20 10.907 -7.867 -13.689 1.00 0.00 C ATOM 267 O ARG A 20 10.965 -9.037 -14.065 1.00 0.00 O ATOM 268 CB ARG A 20 11.534 -5.636 -14.634 1.00 0.00 C ATOM 269 CG ARG A 20 12.816 -5.986 -15.371 1.00 0.00 C ATOM 270 CD ARG A 20 12.604 -6.007 -16.877 1.00 0.00 C ATOM 271 NE ARG A 20 13.845 -6.270 -17.601 1.00 0.00 N ATOM 272 CZ ARG A 20 14.004 -6.030 -18.898 1.00 0.00 C ATOM 273 NH1 ARG A 20 13.007 -5.523 -19.609 1.00 0.00 N ATOM 274 NH2 ARG A 20 15.164 -6.295 -19.485 1.00 0.00 N ATOM 0 H ARG A 20 9.200 -5.360 -13.770 1.00 0.00 H new ATOM 0 HA ARG A 20 10.433 -7.174 -15.656 1.00 0.00 H new ATOM 0 HB2 ARG A 20 11.100 -4.741 -15.081 1.00 0.00 H new ATOM 0 HB3 ARG A 20 11.775 -5.391 -13.600 1.00 0.00 H new ATOM 0 HG2 ARG A 20 13.590 -5.261 -15.121 1.00 0.00 H new ATOM 0 HG3 ARG A 20 13.174 -6.961 -15.039 1.00 0.00 H new ATOM 0 HD2 ARG A 20 11.869 -6.771 -17.129 1.00 0.00 H new ATOM 0 HD3 ARG A 20 12.193 -5.050 -17.199 1.00 0.00 H new ATOM 0 HE ARG A 20 14.633 -6.659 -17.083 1.00 0.00 H new ATOM 0 HH11 ARG A 20 12.115 -5.316 -19.161 1.00 0.00 H new ATOM 0 HH12 ARG A 20 13.132 -5.340 -20.605 1.00 0.00 H new ATOM 0 HH21 ARG A 20 15.934 -6.683 -18.940 1.00 0.00 H new ATOM 0 HH22 ARG A 20 15.286 -6.111 -20.481 1.00 0.00 H new ATOM 288 N ASP A 21 11.195 -7.490 -12.448 1.00 0.00 N ATOM 289 CA ASP A 21 11.604 -8.453 -11.433 1.00 0.00 C ATOM 290 C ASP A 21 10.389 -9.119 -10.794 1.00 0.00 C ATOM 291 O ASP A 21 9.732 -8.537 -9.932 1.00 0.00 O ATOM 292 CB ASP A 21 12.448 -7.766 -10.358 1.00 0.00 C ATOM 293 CG ASP A 21 13.768 -7.253 -10.899 1.00 0.00 C ATOM 294 OD1 ASP A 21 14.396 -7.969 -11.706 1.00 0.00 O ATOM 295 OD2 ASP A 21 14.174 -6.136 -10.515 1.00 0.00 O ATOM 0 H ASP A 21 11.153 -6.525 -12.121 1.00 0.00 H new ATOM 0 HA ASP A 21 12.204 -9.222 -11.919 1.00 0.00 H new ATOM 0 HB2 ASP A 21 11.885 -6.935 -9.934 1.00 0.00 H new ATOM 0 HB3 ASP A 21 12.639 -8.468 -9.547 1.00 0.00 H new ATOM 300 N ASN A 22 10.096 -10.342 -11.224 1.00 0.00 N ATOM 301 CA ASN A 22 8.959 -11.086 -10.696 1.00 0.00 C ATOM 302 C ASN A 22 9.138 -11.369 -9.207 1.00 0.00 C ATOM 303 O ASN A 22 8.175 -11.347 -8.439 1.00 0.00 O ATOM 304 CB ASN A 22 8.784 -12.401 -11.459 1.00 0.00 C ATOM 305 CG ASN A 22 9.824 -13.436 -11.073 1.00 0.00 C ATOM 306 OD1 ASN A 22 11.024 -13.163 -11.091 1.00 0.00 O ATOM 307 ND2 ASN A 22 9.366 -14.632 -10.722 1.00 0.00 N ATOM 0 H ASN A 22 10.631 -10.839 -11.937 1.00 0.00 H new ATOM 0 HA ASN A 22 8.065 -10.476 -10.827 1.00 0.00 H new ATOM 0 HB2 ASN A 22 7.788 -12.800 -11.266 1.00 0.00 H new ATOM 0 HB3 ASN A 22 8.847 -12.208 -12.530 1.00 0.00 H new ATOM 0 HD21 ASN A 22 10.018 -15.369 -10.453 1.00 0.00 H new ATOM 0 HD22 ASN A 22 8.362 -14.814 -10.722 1.00 0.00 H new ATOM 314 N LEU A 23 10.377 -11.633 -8.806 1.00 0.00 N ATOM 315 CA LEU A 23 10.684 -11.920 -7.409 1.00 0.00 C ATOM 316 C LEU A 23 9.784 -11.114 -6.477 1.00 0.00 C ATOM 317 O LEU A 23 10.053 -9.946 -6.196 1.00 0.00 O ATOM 318 CB LEU A 23 12.152 -11.608 -7.115 1.00 0.00 C ATOM 319 CG LEU A 23 12.768 -12.341 -5.922 1.00 0.00 C ATOM 320 CD1 LEU A 23 14.256 -12.560 -6.141 1.00 0.00 C ATOM 321 CD2 LEU A 23 12.524 -11.564 -4.636 1.00 0.00 C ATOM 0 H LEU A 23 11.185 -11.654 -9.428 1.00 0.00 H new ATOM 0 HA LEU A 23 10.502 -12.980 -7.233 1.00 0.00 H new ATOM 0 HB2 LEU A 23 12.738 -11.844 -8.003 1.00 0.00 H new ATOM 0 HB3 LEU A 23 12.248 -10.535 -6.946 1.00 0.00 H new ATOM 0 HG LEU A 23 12.288 -13.316 -5.831 1.00 0.00 H new ATOM 0 HD11 LEU A 23 14.677 -13.083 -5.282 1.00 0.00 H new ATOM 0 HD12 LEU A 23 14.407 -13.158 -7.040 1.00 0.00 H new ATOM 0 HD13 LEU A 23 14.752 -11.597 -6.258 1.00 0.00 H new ATOM 0 HD21 LEU A 23 12.969 -12.100 -3.797 1.00 0.00 H new ATOM 0 HD22 LEU A 23 12.977 -10.576 -4.717 1.00 0.00 H new ATOM 0 HD23 LEU A 23 11.451 -11.459 -4.472 1.00 0.00 H new ATOM 333 N ARG A 24 8.717 -11.745 -6.001 1.00 0.00 N ATOM 334 CA ARG A 24 7.778 -11.087 -5.100 1.00 0.00 C ATOM 335 C ARG A 24 8.501 -10.519 -3.883 1.00 0.00 C ATOM 336 O ARG A 24 9.555 -11.015 -3.485 1.00 0.00 O ATOM 337 CB ARG A 24 6.695 -12.070 -4.651 1.00 0.00 C ATOM 338 CG ARG A 24 5.387 -11.399 -4.265 1.00 0.00 C ATOM 339 CD ARG A 24 4.335 -12.421 -3.862 1.00 0.00 C ATOM 340 NE ARG A 24 3.673 -13.012 -5.021 1.00 0.00 N ATOM 341 CZ ARG A 24 2.609 -12.478 -5.611 1.00 0.00 C ATOM 342 NH1 ARG A 24 2.090 -11.347 -5.153 1.00 0.00 N ATOM 343 NH2 ARG A 24 2.062 -13.075 -6.663 1.00 0.00 N ATOM 0 H ARG A 24 8.480 -12.712 -6.224 1.00 0.00 H new ATOM 0 HA ARG A 24 7.310 -10.264 -5.640 1.00 0.00 H new ATOM 0 HB2 ARG A 24 6.506 -12.781 -5.455 1.00 0.00 H new ATOM 0 HB3 ARG A 24 7.065 -12.642 -3.800 1.00 0.00 H new ATOM 0 HG2 ARG A 24 5.561 -10.709 -3.439 1.00 0.00 H new ATOM 0 HG3 ARG A 24 5.019 -10.807 -5.103 1.00 0.00 H new ATOM 0 HD2 ARG A 24 4.803 -13.209 -3.271 1.00 0.00 H new ATOM 0 HD3 ARG A 24 3.591 -11.943 -3.224 1.00 0.00 H new ATOM 0 HE ARG A 24 4.048 -13.882 -5.399 1.00 0.00 H new ATOM 0 HH11 ARG A 24 2.508 -10.884 -4.346 1.00 0.00 H new ATOM 0 HH12 ARG A 24 1.273 -10.940 -5.608 1.00 0.00 H new ATOM 0 HH21 ARG A 24 2.459 -13.945 -7.019 1.00 0.00 H new ATOM 0 HH22 ARG A 24 1.245 -12.664 -7.115 1.00 0.00 H new ATOM 357 N LYS A 25 7.928 -9.474 -3.295 1.00 0.00 N ATOM 358 CA LYS A 25 8.515 -8.837 -2.122 1.00 0.00 C ATOM 359 C LYS A 25 7.460 -8.594 -1.049 1.00 0.00 C ATOM 360 O LYS A 25 6.397 -8.037 -1.325 1.00 0.00 O ATOM 361 CB LYS A 25 9.176 -7.513 -2.513 1.00 0.00 C ATOM 362 CG LYS A 25 10.485 -7.684 -3.263 1.00 0.00 C ATOM 363 CD LYS A 25 10.889 -6.406 -3.979 1.00 0.00 C ATOM 364 CE LYS A 25 10.208 -6.288 -5.334 1.00 0.00 C ATOM 365 NZ LYS A 25 10.856 -5.258 -6.192 1.00 0.00 N ATOM 0 H LYS A 25 7.056 -9.050 -3.612 1.00 0.00 H new ATOM 0 HA LYS A 25 9.272 -9.508 -1.716 1.00 0.00 H new ATOM 0 HB2 LYS A 25 8.485 -6.941 -3.132 1.00 0.00 H new ATOM 0 HB3 LYS A 25 9.357 -6.927 -1.612 1.00 0.00 H new ATOM 0 HG2 LYS A 25 11.270 -7.975 -2.565 1.00 0.00 H new ATOM 0 HG3 LYS A 25 10.387 -8.493 -3.987 1.00 0.00 H new ATOM 0 HD2 LYS A 25 10.629 -5.545 -3.363 1.00 0.00 H new ATOM 0 HD3 LYS A 25 11.971 -6.388 -4.111 1.00 0.00 H new ATOM 0 HE2 LYS A 25 10.237 -7.253 -5.840 1.00 0.00 H new ATOM 0 HE3 LYS A 25 9.158 -6.034 -5.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 10.442 -5.290 -7.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 10.703 -4.316 -5.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 11.877 -5.448 -6.252 1.00 0.00 H new ATOM 379 N ARG A 26 7.760 -9.012 0.176 1.00 0.00 N ATOM 380 CA ARG A 26 6.837 -8.839 1.291 1.00 0.00 C ATOM 381 C ARG A 26 7.433 -7.920 2.353 1.00 0.00 C ATOM 382 O ARG A 26 8.466 -8.229 2.948 1.00 0.00 O ATOM 383 CB ARG A 26 6.492 -10.195 1.910 1.00 0.00 C ATOM 384 CG ARG A 26 5.573 -10.097 3.117 1.00 0.00 C ATOM 385 CD ARG A 26 5.663 -11.340 3.989 1.00 0.00 C ATOM 386 NE ARG A 26 5.150 -11.103 5.335 1.00 0.00 N ATOM 387 CZ ARG A 26 5.436 -11.875 6.377 1.00 0.00 C ATOM 388 NH1 ARG A 26 6.229 -12.927 6.229 1.00 0.00 N ATOM 389 NH2 ARG A 26 4.930 -11.594 7.571 1.00 0.00 N ATOM 0 H ARG A 26 8.636 -9.473 0.422 1.00 0.00 H new ATOM 0 HA ARG A 26 5.926 -8.380 0.908 1.00 0.00 H new ATOM 0 HB2 ARG A 26 6.019 -10.821 1.153 1.00 0.00 H new ATOM 0 HB3 ARG A 26 7.414 -10.695 2.206 1.00 0.00 H new ATOM 0 HG2 ARG A 26 5.837 -9.218 3.706 1.00 0.00 H new ATOM 0 HG3 ARG A 26 4.545 -9.960 2.782 1.00 0.00 H new ATOM 0 HD2 ARG A 26 5.101 -12.150 3.524 1.00 0.00 H new ATOM 0 HD3 ARG A 26 6.701 -11.666 4.049 1.00 0.00 H new ATOM 0 HE ARG A 26 4.538 -10.300 5.483 1.00 0.00 H new ATOM 0 HH11 ARG A 26 6.621 -13.145 5.313 1.00 0.00 H new ATOM 0 HH12 ARG A 26 6.447 -13.518 7.031 1.00 0.00 H new ATOM 0 HH21 ARG A 26 4.321 -10.784 7.689 1.00 0.00 H new ATOM 0 HH22 ARG A 26 5.150 -12.188 8.371 1.00 0.00 H new ATOM 403 N HIS A 27 6.775 -6.788 2.585 1.00 0.00 N ATOM 404 CA HIS A 27 7.240 -5.824 3.576 1.00 0.00 C ATOM 405 C HIS A 27 6.064 -5.208 4.328 1.00 0.00 C ATOM 406 O HIS A 27 4.918 -5.293 3.886 1.00 0.00 O ATOM 407 CB HIS A 27 8.061 -4.724 2.901 1.00 0.00 C ATOM 408 CG HIS A 27 9.121 -5.247 1.981 1.00 0.00 C ATOM 409 ND1 HIS A 27 9.305 -4.773 0.700 1.00 0.00 N ATOM 410 CD2 HIS A 27 10.057 -6.207 2.165 1.00 0.00 C ATOM 411 CE1 HIS A 27 10.308 -5.421 0.133 1.00 0.00 C ATOM 412 NE2 HIS A 27 10.782 -6.296 1.002 1.00 0.00 N ATOM 0 H HIS A 27 5.919 -6.516 2.101 1.00 0.00 H new ATOM 0 HA HIS A 27 7.871 -6.351 4.292 1.00 0.00 H new ATOM 0 HB2 HIS A 27 7.390 -4.075 2.338 1.00 0.00 H new ATOM 0 HB3 HIS A 27 8.529 -4.108 3.669 1.00 0.00 H new ATOM 0 HD2 HIS A 27 10.206 -6.794 3.059 1.00 0.00 H new ATOM 0 HE1 HIS A 27 10.677 -5.262 -0.870 1.00 0.00 H new ATOM 0 HE2 HIS A 27 11.560 -6.934 0.836 1.00 0.00 H new ATOM 421 N TYR A 28 6.355 -4.590 5.467 1.00 0.00 N ATOM 422 CA TYR A 28 5.322 -3.963 6.282 1.00 0.00 C ATOM 423 C TYR A 28 4.836 -2.665 5.643 1.00 0.00 C ATOM 424 O TYR A 28 5.353 -1.586 5.933 1.00 0.00 O ATOM 425 CB TYR A 28 5.852 -3.684 7.690 1.00 0.00 C ATOM 426 CG TYR A 28 4.792 -3.196 8.651 1.00 0.00 C ATOM 427 CD1 TYR A 28 3.829 -4.062 9.153 1.00 0.00 C ATOM 428 CD2 TYR A 28 4.754 -1.868 9.057 1.00 0.00 C ATOM 429 CE1 TYR A 28 2.858 -3.620 10.030 1.00 0.00 C ATOM 430 CE2 TYR A 28 3.788 -1.417 9.936 1.00 0.00 C ATOM 431 CZ TYR A 28 2.842 -2.297 10.419 1.00 0.00 C ATOM 432 OH TYR A 28 1.877 -1.853 11.294 1.00 0.00 O ATOM 0 H TYR A 28 7.298 -4.510 5.847 1.00 0.00 H new ATOM 0 HA TYR A 28 4.480 -4.652 6.348 1.00 0.00 H new ATOM 0 HB2 TYR A 28 6.299 -4.595 8.088 1.00 0.00 H new ATOM 0 HB3 TYR A 28 6.646 -2.939 7.629 1.00 0.00 H new ATOM 0 HD1 TYR A 28 3.840 -5.099 8.852 1.00 0.00 H new ATOM 0 HD2 TYR A 28 5.492 -1.176 8.679 1.00 0.00 H new ATOM 0 HE1 TYR A 28 2.115 -4.307 10.409 1.00 0.00 H new ATOM 0 HE2 TYR A 28 3.774 -0.382 10.243 1.00 0.00 H new ATOM 0 HH TYR A 28 1.051 -2.361 11.155 1.00 0.00 H new ATOM 442 N TRP A 29 3.839 -2.780 4.773 1.00 0.00 N ATOM 443 CA TRP A 29 3.282 -1.616 4.093 1.00 0.00 C ATOM 444 C TRP A 29 2.566 -0.700 5.079 1.00 0.00 C ATOM 445 O TRP A 29 1.556 -1.078 5.671 1.00 0.00 O ATOM 446 CB TRP A 29 2.314 -2.058 2.994 1.00 0.00 C ATOM 447 CG TRP A 29 2.995 -2.390 1.700 1.00 0.00 C ATOM 448 CD1 TRP A 29 4.177 -3.056 1.544 1.00 0.00 C ATOM 449 CD2 TRP A 29 2.535 -2.069 0.383 1.00 0.00 C ATOM 450 NE1 TRP A 29 4.480 -3.168 0.208 1.00 0.00 N ATOM 451 CE2 TRP A 29 3.488 -2.571 -0.524 1.00 0.00 C ATOM 452 CE3 TRP A 29 1.411 -1.408 -0.119 1.00 0.00 C ATOM 453 CZ2 TRP A 29 3.349 -2.432 -1.903 1.00 0.00 C ATOM 454 CZ3 TRP A 29 1.275 -1.269 -1.487 1.00 0.00 C ATOM 455 CH2 TRP A 29 2.239 -1.780 -2.366 1.00 0.00 C ATOM 0 H TRP A 29 3.400 -3.666 4.522 1.00 0.00 H new ATOM 0 HA TRP A 29 4.105 -1.061 3.642 1.00 0.00 H new ATOM 0 HB2 TRP A 29 1.759 -2.930 3.338 1.00 0.00 H new ATOM 0 HB3 TRP A 29 1.586 -1.265 2.820 1.00 0.00 H new ATOM 0 HD1 TRP A 29 4.784 -3.438 2.351 1.00 0.00 H new ATOM 0 HE1 TRP A 29 5.309 -3.622 -0.176 1.00 0.00 H new ATOM 0 HE3 TRP A 29 0.662 -1.013 0.551 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 4.091 -2.825 -2.582 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 0.411 -0.758 -1.885 1.00 0.00 H new ATOM 0 HH2 TRP A 29 2.103 -1.657 -3.430 1.00 0.00 H new ATOM 466 N ARG A 30 3.096 0.507 5.250 1.00 0.00 N ATOM 467 CA ARG A 30 2.508 1.477 6.166 1.00 0.00 C ATOM 468 C ARG A 30 1.967 2.684 5.405 1.00 0.00 C ATOM 469 O ARG A 30 2.669 3.284 4.591 1.00 0.00 O ATOM 470 CB ARG A 30 3.544 1.932 7.195 1.00 0.00 C ATOM 471 CG ARG A 30 3.078 3.094 8.057 1.00 0.00 C ATOM 472 CD ARG A 30 2.373 2.608 9.314 1.00 0.00 C ATOM 473 NE ARG A 30 3.307 2.393 10.416 1.00 0.00 N ATOM 474 CZ ARG A 30 2.953 2.428 11.696 1.00 0.00 C ATOM 475 NH1 ARG A 30 1.694 2.668 12.033 1.00 0.00 N ATOM 476 NH2 ARG A 30 3.861 2.222 12.642 1.00 0.00 N ATOM 0 H ARG A 30 3.931 0.836 4.766 1.00 0.00 H new ATOM 0 HA ARG A 30 1.679 0.994 6.684 1.00 0.00 H new ATOM 0 HB2 ARG A 30 3.796 1.091 7.840 1.00 0.00 H new ATOM 0 HB3 ARG A 30 4.458 2.220 6.675 1.00 0.00 H new ATOM 0 HG2 ARG A 30 3.934 3.709 8.334 1.00 0.00 H new ATOM 0 HG3 ARG A 30 2.403 3.727 7.482 1.00 0.00 H new ATOM 0 HD2 ARG A 30 1.621 3.338 9.613 1.00 0.00 H new ATOM 0 HD3 ARG A 30 1.847 1.678 9.098 1.00 0.00 H new ATOM 0 HE ARG A 30 4.284 2.206 10.191 1.00 0.00 H new ATOM 0 HH11 ARG A 30 0.994 2.826 11.309 1.00 0.00 H new ATOM 0 HH12 ARG A 30 1.425 2.694 13.017 1.00 0.00 H new ATOM 0 HH21 ARG A 30 4.831 2.037 12.386 1.00 0.00 H new ATOM 0 HH22 ARG A 30 3.589 2.249 13.625 1.00 0.00 H new ATOM 490 N LEU A 31 0.715 3.034 5.676 1.00 0.00 N ATOM 491 CA LEU A 31 0.078 4.170 5.018 1.00 0.00 C ATOM 492 C LEU A 31 -0.556 5.107 6.040 1.00 0.00 C ATOM 493 O LEU A 31 -1.243 4.664 6.961 1.00 0.00 O ATOM 494 CB LEU A 31 -0.982 3.682 4.029 1.00 0.00 C ATOM 495 CG LEU A 31 -2.021 4.716 3.595 1.00 0.00 C ATOM 496 CD1 LEU A 31 -1.428 5.672 2.571 1.00 0.00 C ATOM 497 CD2 LEU A 31 -3.256 4.028 3.032 1.00 0.00 C ATOM 0 H LEU A 31 0.120 2.548 6.347 1.00 0.00 H new ATOM 0 HA LEU A 31 0.846 4.722 4.476 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.475 3.310 3.139 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.505 2.836 4.476 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.318 5.293 4.471 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -2.182 6.401 2.274 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.575 6.191 3.009 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -1.101 5.111 1.696 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.985 4.780 2.728 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.975 3.425 2.168 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -3.694 3.385 3.796 1.00 0.00 H new ATOM 509 N ASP A 32 -0.323 6.404 5.870 1.00 0.00 N ATOM 510 CA ASP A 32 -0.875 7.405 6.776 1.00 0.00 C ATOM 511 C ASP A 32 -1.479 8.569 5.997 1.00 0.00 C ATOM 512 O ASP A 32 -1.285 8.686 4.787 1.00 0.00 O ATOM 513 CB ASP A 32 0.210 7.918 7.724 1.00 0.00 C ATOM 514 CG ASP A 32 1.590 7.882 7.099 1.00 0.00 C ATOM 515 OD1 ASP A 32 2.087 6.770 6.819 1.00 0.00 O ATOM 516 OD2 ASP A 32 2.174 8.965 6.887 1.00 0.00 O ATOM 0 H ASP A 32 0.244 6.787 5.114 1.00 0.00 H new ATOM 0 HA ASP A 32 -1.665 6.934 7.361 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -0.025 8.940 8.021 1.00 0.00 H new ATOM 0 HB3 ASP A 32 0.210 7.315 8.632 1.00 0.00 H new ATOM 521 N SER A 33 -2.214 9.426 6.699 1.00 0.00 N ATOM 522 CA SER A 33 -2.851 10.578 6.072 1.00 0.00 C ATOM 523 C SER A 33 -1.815 11.470 5.395 1.00 0.00 C ATOM 524 O SER A 33 -2.157 12.347 4.602 1.00 0.00 O ATOM 525 CB SER A 33 -3.632 11.383 7.112 1.00 0.00 C ATOM 526 OG SER A 33 -4.368 12.429 6.500 1.00 0.00 O ATOM 0 H SER A 33 -2.383 9.344 7.702 1.00 0.00 H new ATOM 0 HA SER A 33 -3.541 10.212 5.312 1.00 0.00 H new ATOM 0 HB2 SER A 33 -4.312 10.723 7.652 1.00 0.00 H new ATOM 0 HB3 SER A 33 -2.943 11.800 7.846 1.00 0.00 H new ATOM 0 HG SER A 33 -3.965 12.650 5.635 1.00 0.00 H new ATOM 532 N LYS A 34 -0.546 11.240 5.715 1.00 0.00 N ATOM 533 CA LYS A 34 0.542 12.021 5.138 1.00 0.00 C ATOM 534 C LYS A 34 1.031 11.393 3.836 1.00 0.00 C ATOM 535 O LYS A 34 0.821 11.943 2.754 1.00 0.00 O ATOM 536 CB LYS A 34 1.702 12.129 6.131 1.00 0.00 C ATOM 537 CG LYS A 34 1.583 13.310 7.078 1.00 0.00 C ATOM 538 CD LYS A 34 2.743 13.358 8.058 1.00 0.00 C ATOM 539 CE LYS A 34 2.375 14.123 9.321 1.00 0.00 C ATOM 540 NZ LYS A 34 2.307 15.591 9.080 1.00 0.00 N ATOM 0 H LYS A 34 -0.246 10.519 6.371 1.00 0.00 H new ATOM 0 HA LYS A 34 0.164 13.020 4.920 1.00 0.00 H new ATOM 0 HB2 LYS A 34 1.757 11.210 6.715 1.00 0.00 H new ATOM 0 HB3 LYS A 34 2.637 12.211 5.577 1.00 0.00 H new ATOM 0 HG2 LYS A 34 1.552 14.236 6.504 1.00 0.00 H new ATOM 0 HG3 LYS A 34 0.644 13.244 7.627 1.00 0.00 H new ATOM 0 HD2 LYS A 34 3.041 12.343 8.320 1.00 0.00 H new ATOM 0 HD3 LYS A 34 3.603 13.830 7.583 1.00 0.00 H new ATOM 0 HE2 LYS A 34 1.412 13.771 9.691 1.00 0.00 H new ATOM 0 HE3 LYS A 34 3.111 13.916 10.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 2.054 16.077 9.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 3.233 15.932 8.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 1.587 15.791 8.357 1.00 0.00 H new ATOM 554 N CYS A 35 1.682 10.241 3.948 1.00 0.00 N ATOM 555 CA CYS A 35 2.200 9.538 2.779 1.00 0.00 C ATOM 556 C CYS A 35 2.351 8.048 3.064 1.00 0.00 C ATOM 557 O CYS A 35 2.371 7.624 4.220 1.00 0.00 O ATOM 558 CB CYS A 35 3.547 10.129 2.359 1.00 0.00 C ATOM 559 SG CYS A 35 3.439 11.798 1.673 1.00 0.00 S ATOM 0 H CYS A 35 1.864 9.773 4.836 1.00 0.00 H new ATOM 0 HA CYS A 35 1.487 9.663 1.964 1.00 0.00 H new ATOM 0 HB2 CYS A 35 4.210 10.146 3.224 1.00 0.00 H new ATOM 0 HB3 CYS A 35 4.005 9.473 1.619 1.00 0.00 H new ATOM 0 HG CYS A 35 2.248 12.276 1.881 1.00 0.00 H new ATOM 565 N LEU A 36 2.455 7.256 2.002 1.00 0.00 N ATOM 566 CA LEU A 36 2.602 5.811 2.136 1.00 0.00 C ATOM 567 C LEU A 36 4.066 5.428 2.328 1.00 0.00 C ATOM 568 O LEU A 36 4.886 5.592 1.424 1.00 0.00 O ATOM 569 CB LEU A 36 2.036 5.104 0.904 1.00 0.00 C ATOM 570 CG LEU A 36 2.377 3.620 0.765 1.00 0.00 C ATOM 571 CD1 LEU A 36 1.520 2.785 1.703 1.00 0.00 C ATOM 572 CD2 LEU A 36 2.196 3.163 -0.675 1.00 0.00 C ATOM 0 H LEU A 36 2.440 7.591 1.039 1.00 0.00 H new ATOM 0 HA LEU A 36 2.044 5.494 3.017 1.00 0.00 H new ATOM 0 HB2 LEU A 36 0.951 5.207 0.917 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.395 5.623 0.015 1.00 0.00 H new ATOM 0 HG LEU A 36 3.422 3.480 1.040 1.00 0.00 H new ATOM 0 HD11 LEU A 36 1.777 1.732 1.590 1.00 0.00 H new ATOM 0 HD12 LEU A 36 1.700 3.094 2.733 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.467 2.930 1.460 1.00 0.00 H new ATOM 0 HD21 LEU A 36 2.443 2.104 -0.755 1.00 0.00 H new ATOM 0 HD22 LEU A 36 1.161 3.318 -0.978 1.00 0.00 H new ATOM 0 HD23 LEU A 36 2.854 3.739 -1.325 1.00 0.00 H new ATOM 584 N THR A 37 4.388 4.915 3.512 1.00 0.00 N ATOM 585 CA THR A 37 5.752 4.508 3.822 1.00 0.00 C ATOM 586 C THR A 37 5.845 2.999 4.019 1.00 0.00 C ATOM 587 O THR A 37 4.902 2.366 4.498 1.00 0.00 O ATOM 588 CB THR A 37 6.274 5.212 5.089 1.00 0.00 C ATOM 589 OG1 THR A 37 5.885 6.590 5.079 1.00 0.00 O ATOM 590 CG2 THR A 37 7.789 5.108 5.181 1.00 0.00 C ATOM 0 H THR A 37 3.722 4.772 4.271 1.00 0.00 H new ATOM 0 HA THR A 37 6.369 4.799 2.972 1.00 0.00 H new ATOM 0 HB THR A 37 5.839 4.718 5.958 1.00 0.00 H new ATOM 0 HG1 THR A 37 6.219 7.030 5.888 1.00 0.00 H new ATOM 0 HG21 THR A 37 8.134 5.612 6.084 1.00 0.00 H new ATOM 0 HG22 THR A 37 8.080 4.058 5.218 1.00 0.00 H new ATOM 0 HG23 THR A 37 8.240 5.579 4.307 1.00 0.00 H new ATOM 598 N LEU A 38 6.985 2.427 3.648 1.00 0.00 N ATOM 599 CA LEU A 38 7.200 0.991 3.785 1.00 0.00 C ATOM 600 C LEU A 38 8.150 0.690 4.940 1.00 0.00 C ATOM 601 O LEU A 38 8.873 1.570 5.408 1.00 0.00 O ATOM 602 CB LEU A 38 7.762 0.414 2.484 1.00 0.00 C ATOM 603 CG LEU A 38 6.731 -0.073 1.465 1.00 0.00 C ATOM 604 CD1 LEU A 38 6.153 1.101 0.689 1.00 0.00 C ATOM 605 CD2 LEU A 38 7.355 -1.086 0.517 1.00 0.00 C ATOM 0 H LEU A 38 7.775 2.936 3.250 1.00 0.00 H new ATOM 0 HA LEU A 38 6.239 0.523 3.998 1.00 0.00 H new ATOM 0 HB2 LEU A 38 8.380 1.176 2.009 1.00 0.00 H new ATOM 0 HB3 LEU A 38 8.419 -0.420 2.733 1.00 0.00 H new ATOM 0 HG LEU A 38 5.919 -0.562 2.003 1.00 0.00 H new ATOM 0 HD11 LEU A 38 5.421 0.736 -0.032 1.00 0.00 H new ATOM 0 HD12 LEU A 38 5.669 1.791 1.380 1.00 0.00 H new ATOM 0 HD13 LEU A 38 6.954 1.619 0.162 1.00 0.00 H new ATOM 0 HD21 LEU A 38 6.607 -1.421 -0.201 1.00 0.00 H new ATOM 0 HD22 LEU A 38 8.186 -0.623 -0.015 1.00 0.00 H new ATOM 0 HD23 LEU A 38 7.720 -1.941 1.087 1.00 0.00 H new ATOM 617 N PHE A 39 8.145 -0.559 5.393 1.00 0.00 N ATOM 618 CA PHE A 39 9.008 -0.976 6.493 1.00 0.00 C ATOM 619 C PHE A 39 9.388 -2.448 6.358 1.00 0.00 C ATOM 620 O PHE A 39 8.542 -3.293 6.067 1.00 0.00 O ATOM 621 CB PHE A 39 8.310 -0.739 7.834 1.00 0.00 C ATOM 622 CG PHE A 39 8.407 0.680 8.317 1.00 0.00 C ATOM 623 CD1 PHE A 39 9.485 1.093 9.083 1.00 0.00 C ATOM 624 CD2 PHE A 39 7.420 1.601 8.005 1.00 0.00 C ATOM 625 CE1 PHE A 39 9.575 2.398 9.530 1.00 0.00 C ATOM 626 CE2 PHE A 39 7.505 2.907 8.449 1.00 0.00 C ATOM 627 CZ PHE A 39 8.585 3.306 9.211 1.00 0.00 C ATOM 0 H PHE A 39 7.554 -1.300 5.016 1.00 0.00 H new ATOM 0 HA PHE A 39 9.919 -0.379 6.454 1.00 0.00 H new ATOM 0 HB2 PHE A 39 7.259 -1.012 7.741 1.00 0.00 H new ATOM 0 HB3 PHE A 39 8.746 -1.400 8.583 1.00 0.00 H new ATOM 0 HD1 PHE A 39 10.264 0.388 9.334 1.00 0.00 H new ATOM 0 HD2 PHE A 39 6.574 1.295 7.408 1.00 0.00 H new ATOM 0 HE1 PHE A 39 10.419 2.707 10.128 1.00 0.00 H new ATOM 0 HE2 PHE A 39 6.728 3.614 8.200 1.00 0.00 H new ATOM 0 HZ PHE A 39 8.655 4.327 9.557 1.00 0.00 H new ATOM 637 N GLN A 40 10.666 -2.744 6.570 1.00 0.00 N ATOM 638 CA GLN A 40 11.158 -4.113 6.470 1.00 0.00 C ATOM 639 C GLN A 40 10.543 -4.993 7.553 1.00 0.00 C ATOM 640 O GLN A 40 10.063 -6.091 7.276 1.00 0.00 O ATOM 641 CB GLN A 40 12.684 -4.138 6.581 1.00 0.00 C ATOM 642 CG GLN A 40 13.283 -5.526 6.421 1.00 0.00 C ATOM 643 CD GLN A 40 14.708 -5.609 6.932 1.00 0.00 C ATOM 644 OE1 GLN A 40 15.385 -4.592 7.084 1.00 0.00 O ATOM 645 NE2 GLN A 40 15.170 -6.825 7.200 1.00 0.00 N ATOM 0 H GLN A 40 11.379 -2.055 6.812 1.00 0.00 H new ATOM 0 HA GLN A 40 10.865 -4.508 5.497 1.00 0.00 H new ATOM 0 HB2 GLN A 40 13.106 -3.480 5.822 1.00 0.00 H new ATOM 0 HB3 GLN A 40 12.976 -3.735 7.551 1.00 0.00 H new ATOM 0 HG2 GLN A 40 12.666 -6.248 6.957 1.00 0.00 H new ATOM 0 HG3 GLN A 40 13.262 -5.808 5.368 1.00 0.00 H new ATOM 0 HE21 GLN A 40 14.573 -7.640 7.059 1.00 0.00 H new ATOM 0 HE22 GLN A 40 16.122 -6.944 7.547 1.00 0.00 H new ATOM 654 N ASN A 41 10.562 -4.503 8.789 1.00 0.00 N ATOM 655 CA ASN A 41 10.007 -5.246 9.914 1.00 0.00 C ATOM 656 C ASN A 41 8.952 -4.420 10.643 1.00 0.00 C ATOM 657 O ASN A 41 8.854 -3.209 10.449 1.00 0.00 O ATOM 658 CB ASN A 41 11.119 -5.646 10.886 1.00 0.00 C ATOM 659 CG ASN A 41 12.267 -6.354 10.192 1.00 0.00 C ATOM 660 OD1 ASN A 41 13.328 -5.770 9.971 1.00 0.00 O ATOM 661 ND2 ASN A 41 12.058 -7.618 9.845 1.00 0.00 N ATOM 0 H ASN A 41 10.956 -3.595 9.036 1.00 0.00 H new ATOM 0 HA ASN A 41 9.533 -6.147 9.524 1.00 0.00 H new ATOM 0 HB2 ASN A 41 11.496 -4.755 11.389 1.00 0.00 H new ATOM 0 HB3 ASN A 41 10.707 -6.297 11.657 1.00 0.00 H new ATOM 0 HD21 ASN A 41 12.793 -8.146 9.375 1.00 0.00 H new ATOM 0 HD22 ASN A 41 11.162 -8.061 10.049 1.00 0.00 H new ATOM 668 N GLU A 42 8.165 -5.085 11.484 1.00 0.00 N ATOM 669 CA GLU A 42 7.116 -4.411 12.242 1.00 0.00 C ATOM 670 C GLU A 42 7.716 -3.452 13.265 1.00 0.00 C ATOM 671 O GLU A 42 7.055 -2.517 13.717 1.00 0.00 O ATOM 672 CB GLU A 42 6.228 -5.438 12.948 1.00 0.00 C ATOM 673 CG GLU A 42 6.987 -6.350 13.897 1.00 0.00 C ATOM 674 CD GLU A 42 7.545 -7.577 13.204 1.00 0.00 C ATOM 675 OE1 GLU A 42 6.798 -8.217 12.435 1.00 0.00 O ATOM 676 OE2 GLU A 42 8.731 -7.898 13.430 1.00 0.00 O ATOM 0 H GLU A 42 8.234 -6.088 11.657 1.00 0.00 H new ATOM 0 HA GLU A 42 6.509 -3.836 11.543 1.00 0.00 H new ATOM 0 HB2 GLU A 42 5.452 -4.913 13.505 1.00 0.00 H new ATOM 0 HB3 GLU A 42 5.724 -6.047 12.197 1.00 0.00 H new ATOM 0 HG2 GLU A 42 7.804 -5.793 14.355 1.00 0.00 H new ATOM 0 HG3 GLU A 42 6.323 -6.663 14.703 1.00 0.00 H new ATOM 683 N SER A 43 8.973 -3.691 13.627 1.00 0.00 N ATOM 684 CA SER A 43 9.661 -2.851 14.600 1.00 0.00 C ATOM 685 C SER A 43 10.886 -2.189 13.977 1.00 0.00 C ATOM 686 O SER A 43 11.835 -2.864 13.579 1.00 0.00 O ATOM 687 CB SER A 43 10.079 -3.680 15.816 1.00 0.00 C ATOM 688 OG SER A 43 11.135 -4.567 15.490 1.00 0.00 O ATOM 0 H SER A 43 9.535 -4.459 13.261 1.00 0.00 H new ATOM 0 HA SER A 43 8.971 -2.070 14.921 1.00 0.00 H new ATOM 0 HB2 SER A 43 10.393 -3.017 16.622 1.00 0.00 H new ATOM 0 HB3 SER A 43 9.224 -4.247 16.185 1.00 0.00 H new ATOM 0 HG SER A 43 11.464 -4.366 14.589 1.00 0.00 H new ATOM 694 N GLY A 44 10.857 -0.862 13.895 1.00 0.00 N ATOM 695 CA GLY A 44 11.970 -0.130 13.319 1.00 0.00 C ATOM 696 C GLY A 44 11.558 1.228 12.788 1.00 0.00 C ATOM 697 O GLY A 44 10.406 1.428 12.402 1.00 0.00 O ATOM 0 H GLY A 44 10.083 -0.281 14.217 1.00 0.00 H new ATOM 0 HA2 GLY A 44 12.746 -0.001 14.074 1.00 0.00 H new ATOM 0 HA3 GLY A 44 12.406 -0.716 12.510 1.00 0.00 H new ATOM 701 N SER A 45 12.500 2.165 12.769 1.00 0.00 N ATOM 702 CA SER A 45 12.227 3.514 12.287 1.00 0.00 C ATOM 703 C SER A 45 12.762 3.703 10.870 1.00 0.00 C ATOM 704 O SER A 45 12.127 4.346 10.034 1.00 0.00 O ATOM 705 CB SER A 45 12.853 4.550 13.223 1.00 0.00 C ATOM 706 OG SER A 45 12.795 5.848 12.658 1.00 0.00 O ATOM 0 H SER A 45 13.459 2.015 13.082 1.00 0.00 H new ATOM 0 HA SER A 45 11.146 3.656 12.271 1.00 0.00 H new ATOM 0 HB2 SER A 45 12.331 4.543 14.180 1.00 0.00 H new ATOM 0 HB3 SER A 45 13.891 4.283 13.424 1.00 0.00 H new ATOM 0 HG SER A 45 13.200 6.492 13.276 1.00 0.00 H new ATOM 712 N LYS A 46 13.935 3.138 10.608 1.00 0.00 N ATOM 713 CA LYS A 46 14.558 3.242 9.293 1.00 0.00 C ATOM 714 C LYS A 46 13.572 2.862 8.193 1.00 0.00 C ATOM 715 O LYS A 46 13.479 1.697 7.805 1.00 0.00 O ATOM 716 CB LYS A 46 15.794 2.342 9.219 1.00 0.00 C ATOM 717 CG LYS A 46 16.804 2.782 8.174 1.00 0.00 C ATOM 718 CD LYS A 46 17.723 3.868 8.709 1.00 0.00 C ATOM 719 CE LYS A 46 18.898 4.114 7.775 1.00 0.00 C ATOM 720 NZ LYS A 46 19.471 5.477 7.953 1.00 0.00 N ATOM 0 H LYS A 46 14.474 2.603 11.289 1.00 0.00 H new ATOM 0 HA LYS A 46 14.861 4.278 9.143 1.00 0.00 H new ATOM 0 HB2 LYS A 46 16.278 2.323 10.195 1.00 0.00 H new ATOM 0 HB3 LYS A 46 15.478 1.322 9.000 1.00 0.00 H new ATOM 0 HG2 LYS A 46 17.398 1.925 7.857 1.00 0.00 H new ATOM 0 HG3 LYS A 46 16.280 3.150 7.292 1.00 0.00 H new ATOM 0 HD2 LYS A 46 17.159 4.792 8.838 1.00 0.00 H new ATOM 0 HD3 LYS A 46 18.093 3.581 9.693 1.00 0.00 H new ATOM 0 HE2 LYS A 46 19.671 3.368 7.959 1.00 0.00 H new ATOM 0 HE3 LYS A 46 18.574 3.988 6.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 20.269 5.606 7.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 18.740 6.190 7.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 19.804 5.588 8.932 1.00 0.00 H new ATOM 734 N TYR A 47 12.840 3.851 7.694 1.00 0.00 N ATOM 735 CA TYR A 47 11.861 3.620 6.639 1.00 0.00 C ATOM 736 C TYR A 47 12.511 2.959 5.427 1.00 0.00 C ATOM 737 O TYR A 47 13.713 3.102 5.198 1.00 0.00 O ATOM 738 CB TYR A 47 11.205 4.938 6.224 1.00 0.00 C ATOM 739 CG TYR A 47 11.988 5.701 5.179 1.00 0.00 C ATOM 740 CD1 TYR A 47 13.271 6.163 5.443 1.00 0.00 C ATOM 741 CD2 TYR A 47 11.444 5.958 3.926 1.00 0.00 C ATOM 742 CE1 TYR A 47 13.989 6.861 4.492 1.00 0.00 C ATOM 743 CE2 TYR A 47 12.155 6.654 2.968 1.00 0.00 C ATOM 744 CZ TYR A 47 13.427 7.104 3.256 1.00 0.00 C ATOM 745 OH TYR A 47 14.139 7.798 2.304 1.00 0.00 O ATOM 0 H TYR A 47 12.906 4.821 8.003 1.00 0.00 H new ATOM 0 HA TYR A 47 11.096 2.949 7.030 1.00 0.00 H new ATOM 0 HB2 TYR A 47 10.206 4.732 5.839 1.00 0.00 H new ATOM 0 HB3 TYR A 47 11.083 5.567 7.106 1.00 0.00 H new ATOM 0 HD1 TYR A 47 13.715 5.973 6.409 1.00 0.00 H new ATOM 0 HD2 TYR A 47 10.448 5.607 3.698 1.00 0.00 H new ATOM 0 HE1 TYR A 47 14.985 7.215 4.715 1.00 0.00 H new ATOM 0 HE2 TYR A 47 11.718 6.845 1.999 1.00 0.00 H new ATOM 0 HH TYR A 47 13.600 7.882 1.490 1.00 0.00 H new ATOM 755 N TYR A 48 11.708 2.237 4.653 1.00 0.00 N ATOM 756 CA TYR A 48 12.205 1.552 3.466 1.00 0.00 C ATOM 757 C TYR A 48 12.122 2.457 2.240 1.00 0.00 C ATOM 758 O TYR A 48 13.136 2.771 1.615 1.00 0.00 O ATOM 759 CB TYR A 48 11.408 0.270 3.220 1.00 0.00 C ATOM 760 CG TYR A 48 11.858 -0.499 1.999 1.00 0.00 C ATOM 761 CD1 TYR A 48 11.584 -0.032 0.719 1.00 0.00 C ATOM 762 CD2 TYR A 48 12.559 -1.692 2.124 1.00 0.00 C ATOM 763 CE1 TYR A 48 11.993 -0.731 -0.399 1.00 0.00 C ATOM 764 CE2 TYR A 48 12.974 -2.398 1.011 1.00 0.00 C ATOM 765 CZ TYR A 48 12.688 -1.914 -0.248 1.00 0.00 C ATOM 766 OH TYR A 48 13.098 -2.613 -1.360 1.00 0.00 O ATOM 0 H TYR A 48 10.711 2.111 4.826 1.00 0.00 H new ATOM 0 HA TYR A 48 13.251 1.296 3.637 1.00 0.00 H new ATOM 0 HB2 TYR A 48 11.492 -0.374 4.096 1.00 0.00 H new ATOM 0 HB3 TYR A 48 10.353 0.523 3.111 1.00 0.00 H new ATOM 0 HD1 TYR A 48 11.042 0.894 0.597 1.00 0.00 H new ATOM 0 HD2 TYR A 48 12.784 -2.074 3.109 1.00 0.00 H new ATOM 0 HE1 TYR A 48 11.770 -0.354 -1.386 1.00 0.00 H new ATOM 0 HE2 TYR A 48 13.519 -3.323 1.127 1.00 0.00 H new ATOM 0 HH TYR A 48 13.575 -3.422 -1.080 1.00 0.00 H new ATOM 776 N LYS A 49 10.907 2.876 1.903 1.00 0.00 N ATOM 777 CA LYS A 49 10.690 3.747 0.754 1.00 0.00 C ATOM 778 C LYS A 49 9.649 4.816 1.072 1.00 0.00 C ATOM 779 O LYS A 49 9.002 4.774 2.118 1.00 0.00 O ATOM 780 CB LYS A 49 10.240 2.927 -0.456 1.00 0.00 C ATOM 781 CG LYS A 49 11.391 2.351 -1.263 1.00 0.00 C ATOM 782 CD LYS A 49 11.943 3.365 -2.250 1.00 0.00 C ATOM 783 CE LYS A 49 13.377 3.041 -2.639 1.00 0.00 C ATOM 784 NZ LYS A 49 13.446 1.925 -3.622 1.00 0.00 N ATOM 0 H LYS A 49 10.057 2.626 2.409 1.00 0.00 H new ATOM 0 HA LYS A 49 11.633 4.240 0.520 1.00 0.00 H new ATOM 0 HB2 LYS A 49 9.603 2.111 -0.115 1.00 0.00 H new ATOM 0 HB3 LYS A 49 9.632 3.557 -1.105 1.00 0.00 H new ATOM 0 HG2 LYS A 49 12.184 2.030 -0.588 1.00 0.00 H new ATOM 0 HG3 LYS A 49 11.052 1.466 -1.801 1.00 0.00 H new ATOM 0 HD2 LYS A 49 11.318 3.383 -3.143 1.00 0.00 H new ATOM 0 HD3 LYS A 49 11.900 4.362 -1.811 1.00 0.00 H new ATOM 0 HE2 LYS A 49 13.848 3.928 -3.063 1.00 0.00 H new ATOM 0 HE3 LYS A 49 13.944 2.775 -1.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 14.440 1.735 -3.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 13.020 1.071 -3.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 12.926 2.189 -4.484 1.00 0.00 H new ATOM 798 N GLU A 50 9.492 5.773 0.162 1.00 0.00 N ATOM 799 CA GLU A 50 8.529 6.852 0.347 1.00 0.00 C ATOM 800 C GLU A 50 7.647 7.011 -0.888 1.00 0.00 C ATOM 801 O GLU A 50 8.136 7.306 -1.979 1.00 0.00 O ATOM 802 CB GLU A 50 9.254 8.167 0.643 1.00 0.00 C ATOM 803 CG GLU A 50 8.321 9.299 1.040 1.00 0.00 C ATOM 804 CD GLU A 50 9.064 10.583 1.355 1.00 0.00 C ATOM 805 OE1 GLU A 50 10.189 10.501 1.891 1.00 0.00 O ATOM 806 OE2 GLU A 50 8.521 11.670 1.066 1.00 0.00 O ATOM 0 H GLU A 50 10.019 5.823 -0.710 1.00 0.00 H new ATOM 0 HA GLU A 50 7.894 6.597 1.195 1.00 0.00 H new ATOM 0 HB2 GLU A 50 9.974 8.003 1.444 1.00 0.00 H new ATOM 0 HB3 GLU A 50 9.821 8.466 -0.239 1.00 0.00 H new ATOM 0 HG2 GLU A 50 7.613 9.482 0.232 1.00 0.00 H new ATOM 0 HG3 GLU A 50 7.739 8.997 1.911 1.00 0.00 H new ATOM 813 N ILE A 51 6.346 6.814 -0.707 1.00 0.00 N ATOM 814 CA ILE A 51 5.395 6.936 -1.806 1.00 0.00 C ATOM 815 C ILE A 51 4.302 7.947 -1.478 1.00 0.00 C ATOM 816 O ILE A 51 3.278 7.619 -0.879 1.00 0.00 O ATOM 817 CB ILE A 51 4.742 5.581 -2.139 1.00 0.00 C ATOM 818 CG1 ILE A 51 5.816 4.521 -2.390 1.00 0.00 C ATOM 819 CG2 ILE A 51 3.830 5.716 -3.349 1.00 0.00 C ATOM 820 CD1 ILE A 51 5.329 3.105 -2.175 1.00 0.00 C ATOM 0 H ILE A 51 5.926 6.569 0.190 1.00 0.00 H new ATOM 0 HA ILE A 51 5.958 7.282 -2.673 1.00 0.00 H new ATOM 0 HB ILE A 51 4.139 5.266 -1.288 1.00 0.00 H new ATOM 0 HG12 ILE A 51 6.181 4.620 -3.412 1.00 0.00 H new ATOM 0 HG13 ILE A 51 6.663 4.710 -1.730 1.00 0.00 H new ATOM 0 HG21 ILE A 51 3.376 4.750 -3.572 1.00 0.00 H new ATOM 0 HG22 ILE A 51 3.048 6.444 -3.135 1.00 0.00 H new ATOM 0 HG23 ILE A 51 4.412 6.050 -4.208 1.00 0.00 H new ATOM 0 HD11 ILE A 51 6.143 2.407 -2.371 1.00 0.00 H new ATOM 0 HD12 ILE A 51 4.991 2.989 -1.145 1.00 0.00 H new ATOM 0 HD13 ILE A 51 4.502 2.898 -2.854 1.00 0.00 H new ATOM 832 N PRO A 52 4.523 9.208 -1.879 1.00 0.00 N ATOM 833 CA PRO A 52 3.567 10.293 -1.641 1.00 0.00 C ATOM 834 C PRO A 52 2.301 10.145 -2.477 1.00 0.00 C ATOM 835 O PRO A 52 2.365 9.873 -3.677 1.00 0.00 O ATOM 836 CB PRO A 52 4.341 11.546 -2.060 1.00 0.00 C ATOM 837 CG PRO A 52 5.349 11.058 -3.042 1.00 0.00 C ATOM 838 CD PRO A 52 5.722 9.671 -2.597 1.00 0.00 C ATOM 0 HA PRO A 52 3.223 10.313 -0.607 1.00 0.00 H new ATOM 0 HB2 PRO A 52 3.680 12.289 -2.507 1.00 0.00 H new ATOM 0 HB3 PRO A 52 4.820 12.020 -1.203 1.00 0.00 H new ATOM 0 HG2 PRO A 52 4.937 11.047 -4.051 1.00 0.00 H new ATOM 0 HG3 PRO A 52 6.222 11.710 -3.061 1.00 0.00 H new ATOM 0 HD2 PRO A 52 5.956 9.027 -3.444 1.00 0.00 H new ATOM 0 HD3 PRO A 52 6.599 9.679 -1.950 1.00 0.00 H new ATOM 846 N LEU A 53 1.151 10.325 -1.837 1.00 0.00 N ATOM 847 CA LEU A 53 -0.132 10.211 -2.523 1.00 0.00 C ATOM 848 C LEU A 53 -0.066 10.843 -3.910 1.00 0.00 C ATOM 849 O LEU A 53 -0.803 10.454 -4.816 1.00 0.00 O ATOM 850 CB LEU A 53 -1.234 10.878 -1.699 1.00 0.00 C ATOM 851 CG LEU A 53 -1.468 10.304 -0.301 1.00 0.00 C ATOM 852 CD1 LEU A 53 -2.071 11.357 0.615 1.00 0.00 C ATOM 853 CD2 LEU A 53 -2.366 9.078 -0.371 1.00 0.00 C ATOM 0 H LEU A 53 1.080 10.550 -0.845 1.00 0.00 H new ATOM 0 HA LEU A 53 -0.362 9.152 -2.637 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -0.995 11.937 -1.600 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -2.168 10.813 -2.258 1.00 0.00 H new ATOM 0 HG LEU A 53 -0.506 10.002 0.112 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -2.230 10.930 1.605 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.391 12.206 0.691 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -3.025 11.692 0.207 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -2.521 8.683 0.633 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -3.327 9.355 -0.805 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -1.894 8.316 -0.991 1.00 0.00 H new ATOM 865 N SER A 54 0.824 11.818 -4.069 1.00 0.00 N ATOM 866 CA SER A 54 0.985 12.505 -5.345 1.00 0.00 C ATOM 867 C SER A 54 1.506 11.549 -6.414 1.00 0.00 C ATOM 868 O SER A 54 0.824 11.273 -7.400 1.00 0.00 O ATOM 869 CB SER A 54 1.942 13.689 -5.193 1.00 0.00 C ATOM 870 OG SER A 54 2.050 14.416 -6.405 1.00 0.00 O ATOM 0 H SER A 54 1.444 12.150 -3.330 1.00 0.00 H new ATOM 0 HA SER A 54 0.008 12.874 -5.657 1.00 0.00 H new ATOM 0 HB2 SER A 54 1.587 14.348 -4.400 1.00 0.00 H new ATOM 0 HB3 SER A 54 2.926 13.329 -4.892 1.00 0.00 H new ATOM 0 HG SER A 54 2.666 15.168 -6.281 1.00 0.00 H new ATOM 876 N GLU A 55 2.721 11.048 -6.210 1.00 0.00 N ATOM 877 CA GLU A 55 3.334 10.124 -7.157 1.00 0.00 C ATOM 878 C GLU A 55 2.284 9.209 -7.782 1.00 0.00 C ATOM 879 O GLU A 55 2.086 9.215 -8.997 1.00 0.00 O ATOM 880 CB GLU A 55 4.408 9.285 -6.461 1.00 0.00 C ATOM 881 CG GLU A 55 5.542 8.865 -7.382 1.00 0.00 C ATOM 882 CD GLU A 55 5.052 8.121 -8.609 1.00 0.00 C ATOM 883 OE1 GLU A 55 3.992 7.466 -8.521 1.00 0.00 O ATOM 884 OE2 GLU A 55 5.727 8.194 -9.657 1.00 0.00 O ATOM 0 H GLU A 55 3.299 11.266 -5.399 1.00 0.00 H new ATOM 0 HA GLU A 55 3.798 10.711 -7.950 1.00 0.00 H new ATOM 0 HB2 GLU A 55 4.819 9.855 -5.628 1.00 0.00 H new ATOM 0 HB3 GLU A 55 3.944 8.393 -6.039 1.00 0.00 H new ATOM 0 HG2 GLU A 55 6.097 9.749 -7.695 1.00 0.00 H new ATOM 0 HG3 GLU A 55 6.237 8.231 -6.831 1.00 0.00 H new ATOM 891 N ILE A 56 1.617 8.424 -6.942 1.00 0.00 N ATOM 892 CA ILE A 56 0.588 7.505 -7.412 1.00 0.00 C ATOM 893 C ILE A 56 -0.314 8.171 -8.445 1.00 0.00 C ATOM 894 O ILE A 56 -1.248 8.894 -8.095 1.00 0.00 O ATOM 895 CB ILE A 56 -0.277 6.987 -6.248 1.00 0.00 C ATOM 896 CG1 ILE A 56 0.588 6.232 -5.237 1.00 0.00 C ATOM 897 CG2 ILE A 56 -1.390 6.092 -6.773 1.00 0.00 C ATOM 898 CD1 ILE A 56 -0.075 6.051 -3.890 1.00 0.00 C ATOM 0 H ILE A 56 1.771 8.406 -5.934 1.00 0.00 H new ATOM 0 HA ILE A 56 1.103 6.663 -7.874 1.00 0.00 H new ATOM 0 HB ILE A 56 -0.730 7.841 -5.744 1.00 0.00 H new ATOM 0 HG12 ILE A 56 0.837 5.252 -5.645 1.00 0.00 H new ATOM 0 HG13 ILE A 56 1.527 6.769 -5.102 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -1.993 5.734 -5.939 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -2.020 6.659 -7.459 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -0.956 5.241 -7.298 1.00 0.00 H new ATOM 0 HD11 ILE A 56 0.596 5.508 -3.224 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -0.300 7.027 -3.461 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -1.000 5.487 -4.012 1.00 0.00 H new ATOM 910 N LEU A 57 -0.032 7.921 -9.718 1.00 0.00 N ATOM 911 CA LEU A 57 -0.819 8.495 -10.804 1.00 0.00 C ATOM 912 C LEU A 57 -2.242 7.945 -10.794 1.00 0.00 C ATOM 913 O LEU A 57 -3.210 8.702 -10.714 1.00 0.00 O ATOM 914 CB LEU A 57 -0.157 8.201 -12.151 1.00 0.00 C ATOM 915 CG LEU A 57 1.301 8.641 -12.292 1.00 0.00 C ATOM 916 CD1 LEU A 57 2.012 7.803 -13.344 1.00 0.00 C ATOM 917 CD2 LEU A 57 1.380 10.120 -12.643 1.00 0.00 C ATOM 0 H LEU A 57 0.736 7.324 -10.024 1.00 0.00 H new ATOM 0 HA LEU A 57 -0.864 9.574 -10.656 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -0.211 7.128 -12.333 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -0.740 8.687 -12.934 1.00 0.00 H new ATOM 0 HG LEU A 57 1.801 8.488 -11.336 1.00 0.00 H new ATOM 0 HD11 LEU A 57 3.048 8.130 -13.431 1.00 0.00 H new ATOM 0 HD12 LEU A 57 1.986 6.753 -13.051 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.512 7.924 -14.305 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.425 10.416 -12.739 1.00 0.00 H new ATOM 0 HD22 LEU A 57 0.864 10.298 -13.586 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.908 10.707 -11.855 1.00 0.00 H new ATOM 929 N ARG A 58 -2.361 6.624 -10.873 1.00 0.00 N ATOM 930 CA ARG A 58 -3.666 5.973 -10.872 1.00 0.00 C ATOM 931 C ARG A 58 -3.521 4.464 -10.696 1.00 0.00 C ATOM 932 O ARG A 58 -2.416 3.956 -10.500 1.00 0.00 O ATOM 933 CB ARG A 58 -4.412 6.276 -12.173 1.00 0.00 C ATOM 934 CG ARG A 58 -3.832 5.568 -13.386 1.00 0.00 C ATOM 935 CD ARG A 58 -4.731 5.721 -14.604 1.00 0.00 C ATOM 936 NE ARG A 58 -4.682 7.074 -15.152 1.00 0.00 N ATOM 937 CZ ARG A 58 -3.696 7.519 -15.923 1.00 0.00 C ATOM 938 NH1 ARG A 58 -2.683 6.723 -16.235 1.00 0.00 N ATOM 939 NH2 ARG A 58 -3.723 8.763 -16.385 1.00 0.00 N ATOM 0 H ARG A 58 -1.570 5.983 -10.939 1.00 0.00 H new ATOM 0 HA ARG A 58 -4.239 6.366 -10.032 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -5.457 5.987 -12.059 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -4.397 7.352 -12.349 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -2.845 5.974 -13.608 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -3.699 4.510 -13.162 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -4.428 5.008 -15.371 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -5.758 5.477 -14.330 1.00 0.00 H new ATOM 0 HE ARG A 58 -5.447 7.712 -14.931 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -2.659 5.766 -15.883 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -1.927 7.067 -16.827 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -4.501 9.378 -16.148 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -2.965 9.104 -16.977 1.00 0.00 H new ATOM 953 N ILE A 59 -4.642 3.755 -10.766 1.00 0.00 N ATOM 954 CA ILE A 59 -4.639 2.305 -10.615 1.00 0.00 C ATOM 955 C ILE A 59 -4.867 1.612 -11.954 1.00 0.00 C ATOM 956 O ILE A 59 -5.621 2.100 -12.796 1.00 0.00 O ATOM 957 CB ILE A 59 -5.718 1.841 -9.618 1.00 0.00 C ATOM 958 CG1 ILE A 59 -5.582 2.599 -8.296 1.00 0.00 C ATOM 959 CG2 ILE A 59 -5.616 0.341 -9.389 1.00 0.00 C ATOM 960 CD1 ILE A 59 -4.359 2.204 -7.497 1.00 0.00 C ATOM 0 H ILE A 59 -5.564 4.161 -10.926 1.00 0.00 H new ATOM 0 HA ILE A 59 -3.657 2.030 -10.229 1.00 0.00 H new ATOM 0 HB ILE A 59 -6.700 2.058 -10.039 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -5.542 3.669 -8.502 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -6.473 2.424 -7.693 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -6.385 0.028 -8.682 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -5.758 -0.182 -10.335 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -4.632 0.101 -8.985 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -4.326 2.781 -6.573 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -4.407 1.141 -7.260 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -3.462 2.405 -8.082 1.00 0.00 H new ATOM 972 N SER A 60 -4.213 0.471 -12.142 1.00 0.00 N ATOM 973 CA SER A 60 -4.343 -0.289 -13.380 1.00 0.00 C ATOM 974 C SER A 60 -5.428 -1.355 -13.251 1.00 0.00 C ATOM 975 O SER A 60 -5.696 -1.856 -12.159 1.00 0.00 O ATOM 976 CB SER A 60 -3.010 -0.945 -13.743 1.00 0.00 C ATOM 977 OG SER A 60 -3.184 -1.939 -14.738 1.00 0.00 O ATOM 0 H SER A 60 -3.588 0.052 -11.453 1.00 0.00 H new ATOM 0 HA SER A 60 -4.628 0.402 -14.173 1.00 0.00 H new ATOM 0 HB2 SER A 60 -2.313 -0.187 -14.100 1.00 0.00 H new ATOM 0 HB3 SER A 60 -2.566 -1.391 -12.853 1.00 0.00 H new ATOM 0 HG SER A 60 -3.029 -2.824 -14.347 1.00 0.00 H new ATOM 983 N SER A 61 -6.050 -1.696 -14.376 1.00 0.00 N ATOM 984 CA SER A 61 -7.108 -2.698 -14.390 1.00 0.00 C ATOM 985 C SER A 61 -6.531 -4.100 -14.220 1.00 0.00 C ATOM 986 O SER A 61 -5.347 -4.345 -14.454 1.00 0.00 O ATOM 987 CB SER A 61 -7.900 -2.616 -15.697 1.00 0.00 C ATOM 988 OG SER A 61 -8.983 -1.710 -15.581 1.00 0.00 O ATOM 0 H SER A 61 -5.839 -1.293 -15.289 1.00 0.00 H new ATOM 0 HA SER A 61 -7.777 -2.495 -13.554 1.00 0.00 H new ATOM 0 HB2 SER A 61 -7.241 -2.299 -16.506 1.00 0.00 H new ATOM 0 HB3 SER A 61 -8.276 -3.605 -15.961 1.00 0.00 H new ATOM 0 HG SER A 61 -9.472 -1.674 -16.430 1.00 0.00 H new ATOM 994 N PRO A 62 -7.387 -5.045 -13.801 1.00 0.00 N ATOM 995 CA PRO A 62 -6.985 -6.439 -13.589 1.00 0.00 C ATOM 996 C PRO A 62 -6.678 -7.158 -14.898 1.00 0.00 C ATOM 997 O PRO A 62 -6.373 -8.351 -14.904 1.00 0.00 O ATOM 998 CB PRO A 62 -8.209 -7.061 -12.911 1.00 0.00 C ATOM 999 CG PRO A 62 -9.355 -6.218 -13.352 1.00 0.00 C ATOM 1000 CD PRO A 62 -8.812 -4.824 -13.502 1.00 0.00 C ATOM 0 HA PRO A 62 -6.070 -6.516 -13.001 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -8.343 -8.100 -13.212 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -8.107 -7.054 -11.826 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -9.765 -6.580 -14.295 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -10.163 -6.245 -12.621 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -9.312 -4.282 -14.305 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -8.946 -4.240 -12.591 1.00 0.00 H new ATOM 1008 N ARG A 63 -6.761 -6.426 -16.004 1.00 0.00 N ATOM 1009 CA ARG A 63 -6.493 -6.996 -17.319 1.00 0.00 C ATOM 1010 C ARG A 63 -4.991 -7.101 -17.570 1.00 0.00 C ATOM 1011 O ARG A 63 -4.505 -6.746 -18.644 1.00 0.00 O ATOM 1012 CB ARG A 63 -7.145 -6.145 -18.410 1.00 0.00 C ATOM 1013 CG ARG A 63 -6.582 -4.735 -18.500 1.00 0.00 C ATOM 1014 CD ARG A 63 -7.041 -4.033 -19.768 1.00 0.00 C ATOM 1015 NE ARG A 63 -8.291 -3.304 -19.569 1.00 0.00 N ATOM 1016 CZ ARG A 63 -9.098 -2.943 -20.560 1.00 0.00 C ATOM 1017 NH1 ARG A 63 -8.787 -3.242 -21.814 1.00 0.00 N ATOM 1018 NH2 ARG A 63 -10.218 -2.283 -20.298 1.00 0.00 N ATOM 0 H ARG A 63 -7.012 -5.437 -16.016 1.00 0.00 H new ATOM 0 HA ARG A 63 -6.920 -7.999 -17.347 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -7.016 -6.641 -19.372 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -8.217 -6.088 -18.222 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -6.897 -4.160 -17.630 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -5.493 -4.775 -18.478 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -6.267 -3.341 -20.100 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -7.173 -4.768 -20.562 1.00 0.00 H new ATOM 0 HE ARG A 63 -8.559 -3.059 -18.616 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -7.927 -3.750 -22.019 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -9.408 -2.964 -22.574 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -10.460 -2.052 -19.335 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -10.837 -2.006 -21.060 1.00 0.00 H new ATOM 1032 N ASP A 64 -4.263 -7.590 -16.572 1.00 0.00 N ATOM 1033 CA ASP A 64 -2.817 -7.742 -16.684 1.00 0.00 C ATOM 1034 C ASP A 64 -2.397 -9.177 -16.384 1.00 0.00 C ATOM 1035 O ASP A 64 -1.423 -9.413 -15.668 1.00 0.00 O ATOM 1036 CB ASP A 64 -2.106 -6.779 -15.732 1.00 0.00 C ATOM 1037 CG ASP A 64 -2.725 -6.771 -14.348 1.00 0.00 C ATOM 1038 OD1 ASP A 64 -2.472 -7.723 -13.580 1.00 0.00 O ATOM 1039 OD2 ASP A 64 -3.462 -5.814 -14.033 1.00 0.00 O ATOM 0 H ASP A 64 -4.650 -7.888 -15.677 1.00 0.00 H new ATOM 0 HA ASP A 64 -2.530 -7.505 -17.708 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -1.055 -7.058 -15.655 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -2.139 -5.772 -16.147 1.00 0.00 H new ATOM 1044 N PHE A 65 -3.138 -10.133 -16.934 1.00 0.00 N ATOM 1045 CA PHE A 65 -2.844 -11.546 -16.723 1.00 0.00 C ATOM 1046 C PHE A 65 -1.717 -12.010 -17.642 1.00 0.00 C ATOM 1047 O PHE A 65 -0.830 -12.757 -17.228 1.00 0.00 O ATOM 1048 CB PHE A 65 -4.096 -12.391 -16.965 1.00 0.00 C ATOM 1049 CG PHE A 65 -5.250 -12.020 -16.079 1.00 0.00 C ATOM 1050 CD1 PHE A 65 -5.178 -12.212 -14.709 1.00 0.00 C ATOM 1051 CD2 PHE A 65 -6.407 -11.479 -16.616 1.00 0.00 C ATOM 1052 CE1 PHE A 65 -6.239 -11.873 -13.891 1.00 0.00 C ATOM 1053 CE2 PHE A 65 -7.472 -11.137 -15.803 1.00 0.00 C ATOM 1054 CZ PHE A 65 -7.387 -11.334 -14.438 1.00 0.00 C ATOM 0 H PHE A 65 -3.947 -9.955 -17.529 1.00 0.00 H new ATOM 0 HA PHE A 65 -2.522 -11.674 -15.689 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -4.400 -12.286 -18.007 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -3.851 -13.442 -16.809 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -4.282 -12.631 -14.275 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -6.478 -11.323 -17.682 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -6.171 -12.029 -12.825 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -8.369 -10.717 -16.234 1.00 0.00 H new ATOM 0 HZ PHE A 65 -8.217 -11.067 -13.800 1.00 0.00 H new ATOM 1064 N THR A 66 -1.759 -11.561 -18.893 1.00 0.00 N ATOM 1065 CA THR A 66 -0.745 -11.931 -19.872 1.00 0.00 C ATOM 1066 C THR A 66 0.657 -11.789 -19.291 1.00 0.00 C ATOM 1067 O THR A 66 1.509 -12.655 -19.483 1.00 0.00 O ATOM 1068 CB THR A 66 -0.851 -11.069 -21.144 1.00 0.00 C ATOM 1069 OG1 THR A 66 -0.863 -9.680 -20.795 1.00 0.00 O ATOM 1070 CG2 THR A 66 -2.110 -11.411 -21.926 1.00 0.00 C ATOM 0 H THR A 66 -2.485 -10.940 -19.252 1.00 0.00 H new ATOM 0 HA THR A 66 -0.923 -12.974 -20.133 1.00 0.00 H new ATOM 0 HB THR A 66 0.016 -11.278 -21.771 1.00 0.00 H new ATOM 0 HG1 THR A 66 -0.929 -9.139 -21.609 1.00 0.00 H new ATOM 0 HG21 THR A 66 -2.163 -10.790 -22.820 1.00 0.00 H new ATOM 0 HG22 THR A 66 -2.084 -12.462 -22.215 1.00 0.00 H new ATOM 0 HG23 THR A 66 -2.986 -11.227 -21.304 1.00 0.00 H new ATOM 1078 N ASN A 67 0.889 -10.691 -18.578 1.00 0.00 N ATOM 1079 CA ASN A 67 2.189 -10.436 -17.969 1.00 0.00 C ATOM 1080 C ASN A 67 2.824 -11.734 -17.478 1.00 0.00 C ATOM 1081 O ASN A 67 4.022 -11.956 -17.654 1.00 0.00 O ATOM 1082 CB ASN A 67 2.046 -9.453 -16.805 1.00 0.00 C ATOM 1083 CG ASN A 67 1.267 -8.210 -17.191 1.00 0.00 C ATOM 1084 OD1 ASN A 67 0.310 -8.278 -17.962 1.00 0.00 O ATOM 1085 ND2 ASN A 67 1.675 -7.066 -16.654 1.00 0.00 N ATOM 0 H ASN A 67 0.194 -9.964 -18.408 1.00 0.00 H new ATOM 0 HA ASN A 67 2.838 -9.999 -18.728 1.00 0.00 H new ATOM 0 HB2 ASN A 67 1.545 -9.949 -15.974 1.00 0.00 H new ATOM 0 HB3 ASN A 67 3.036 -9.163 -16.454 1.00 0.00 H new ATOM 0 HD21 ASN A 67 1.190 -6.197 -16.876 1.00 0.00 H new ATOM 0 HD22 ASN A 67 2.474 -7.057 -16.019 1.00 0.00 H new ATOM 1092 N ILE A 68 2.012 -12.587 -16.862 1.00 0.00 N ATOM 1093 CA ILE A 68 2.493 -13.863 -16.348 1.00 0.00 C ATOM 1094 C ILE A 68 2.172 -15.000 -17.311 1.00 0.00 C ATOM 1095 O ILE A 68 1.474 -14.807 -18.306 1.00 0.00 O ATOM 1096 CB ILE A 68 1.881 -14.182 -14.971 1.00 0.00 C ATOM 1097 CG1 ILE A 68 0.362 -14.328 -15.086 1.00 0.00 C ATOM 1098 CG2 ILE A 68 2.239 -13.096 -13.968 1.00 0.00 C ATOM 1099 CD1 ILE A 68 -0.280 -14.940 -13.861 1.00 0.00 C ATOM 0 H ILE A 68 1.018 -12.417 -16.707 1.00 0.00 H new ATOM 0 HA ILE A 68 3.574 -13.774 -16.244 1.00 0.00 H new ATOM 0 HB ILE A 68 2.293 -15.127 -14.617 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -0.077 -13.346 -15.264 1.00 0.00 H new ATOM 0 HG13 ILE A 68 0.129 -14.944 -15.955 1.00 0.00 H new ATOM 0 HG21 ILE A 68 1.799 -13.336 -13.000 1.00 0.00 H new ATOM 0 HG22 ILE A 68 3.323 -13.035 -13.869 1.00 0.00 H new ATOM 0 HG23 ILE A 68 1.852 -12.138 -14.315 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -1.357 -15.013 -14.013 1.00 0.00 H new ATOM 0 HD12 ILE A 68 0.131 -15.935 -13.694 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -0.078 -14.313 -12.993 1.00 0.00 H new ATOM 1111 N SER A 69 2.684 -16.189 -17.006 1.00 0.00 N ATOM 1112 CA SER A 69 2.454 -17.358 -17.846 1.00 0.00 C ATOM 1113 C SER A 69 1.725 -18.450 -17.068 1.00 0.00 C ATOM 1114 O SER A 69 0.610 -18.836 -17.418 1.00 0.00 O ATOM 1115 CB SER A 69 3.781 -17.898 -18.382 1.00 0.00 C ATOM 1116 OG SER A 69 3.585 -18.655 -19.563 1.00 0.00 O ATOM 0 H SER A 69 3.260 -16.367 -16.184 1.00 0.00 H new ATOM 0 HA SER A 69 1.829 -17.054 -18.686 1.00 0.00 H new ATOM 0 HB2 SER A 69 4.458 -17.069 -18.586 1.00 0.00 H new ATOM 0 HB3 SER A 69 4.257 -18.519 -17.623 1.00 0.00 H new ATOM 0 HG SER A 69 4.449 -18.987 -19.886 1.00 0.00 H new ATOM 1122 N GLN A 70 2.364 -18.942 -16.012 1.00 0.00 N ATOM 1123 CA GLN A 70 1.777 -19.990 -15.185 1.00 0.00 C ATOM 1124 C GLN A 70 2.616 -20.230 -13.934 1.00 0.00 C ATOM 1125 O GLN A 70 3.843 -20.292 -14.000 1.00 0.00 O ATOM 1126 CB GLN A 70 1.649 -21.288 -15.984 1.00 0.00 C ATOM 1127 CG GLN A 70 0.595 -22.238 -15.437 1.00 0.00 C ATOM 1128 CD GLN A 70 0.926 -22.736 -14.044 1.00 0.00 C ATOM 1129 OE1 GLN A 70 0.255 -22.389 -13.072 1.00 0.00 O ATOM 1130 NE2 GLN A 70 1.966 -23.556 -13.939 1.00 0.00 N ATOM 0 H GLN A 70 3.287 -18.632 -15.709 1.00 0.00 H new ATOM 0 HA GLN A 70 0.784 -19.662 -14.877 1.00 0.00 H new ATOM 0 HB2 GLN A 70 1.406 -21.046 -17.019 1.00 0.00 H new ATOM 0 HB3 GLN A 70 2.614 -21.795 -15.994 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -0.370 -21.732 -15.418 1.00 0.00 H new ATOM 0 HG3 GLN A 70 0.495 -23.090 -16.109 1.00 0.00 H new ATOM 0 HE21 GLN A 70 2.495 -23.818 -14.771 1.00 0.00 H new ATOM 0 HE22 GLN A 70 2.236 -23.924 -13.027 1.00 0.00 H new ATOM 1139 N GLY A 71 1.944 -20.363 -12.794 1.00 0.00 N ATOM 1140 CA GLY A 71 2.644 -20.594 -11.544 1.00 0.00 C ATOM 1141 C GLY A 71 2.761 -19.338 -10.704 1.00 0.00 C ATOM 1142 O GLY A 71 3.841 -19.009 -10.213 1.00 0.00 O ATOM 0 H GLY A 71 0.928 -20.315 -12.714 1.00 0.00 H new ATOM 0 HA2 GLY A 71 2.120 -21.361 -10.974 1.00 0.00 H new ATOM 0 HA3 GLY A 71 3.641 -20.980 -11.756 1.00 0.00 H new ATOM 1146 N SER A 72 1.647 -18.632 -10.540 1.00 0.00 N ATOM 1147 CA SER A 72 1.630 -17.401 -9.758 1.00 0.00 C ATOM 1148 C SER A 72 0.213 -17.067 -9.302 1.00 0.00 C ATOM 1149 O SER A 72 -0.755 -17.677 -9.751 1.00 0.00 O ATOM 1150 CB SER A 72 2.200 -16.243 -10.580 1.00 0.00 C ATOM 1151 OG SER A 72 2.556 -15.153 -9.746 1.00 0.00 O ATOM 0 H SER A 72 0.744 -18.891 -10.938 1.00 0.00 H new ATOM 0 HA SER A 72 2.251 -17.551 -8.875 1.00 0.00 H new ATOM 0 HB2 SER A 72 3.075 -16.582 -11.134 1.00 0.00 H new ATOM 0 HB3 SER A 72 1.464 -15.918 -11.315 1.00 0.00 H new ATOM 0 HG SER A 72 2.919 -14.427 -10.294 1.00 0.00 H new ATOM 1157 N ASN A 73 0.102 -16.093 -8.404 1.00 0.00 N ATOM 1158 CA ASN A 73 -1.196 -15.676 -7.885 1.00 0.00 C ATOM 1159 C ASN A 73 -1.701 -14.435 -8.614 1.00 0.00 C ATOM 1160 O ASN A 73 -0.925 -13.623 -9.120 1.00 0.00 O ATOM 1161 CB ASN A 73 -1.102 -15.397 -6.384 1.00 0.00 C ATOM 1162 CG ASN A 73 -0.663 -16.616 -5.596 1.00 0.00 C ATOM 1163 OD1 ASN A 73 0.464 -17.090 -5.741 1.00 0.00 O ATOM 1164 ND2 ASN A 73 -1.554 -17.130 -4.755 1.00 0.00 N ATOM 0 H ASN A 73 0.895 -15.578 -8.021 1.00 0.00 H new ATOM 0 HA ASN A 73 -1.904 -16.487 -8.054 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -0.397 -14.583 -6.212 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -2.072 -15.061 -6.018 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -1.315 -17.950 -4.198 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -2.477 -16.704 -4.667 1.00 0.00 H new ATOM 1171 N PRO A 74 -3.032 -14.281 -8.669 1.00 0.00 N ATOM 1172 CA PRO A 74 -3.670 -13.140 -9.332 1.00 0.00 C ATOM 1173 C PRO A 74 -3.453 -11.834 -8.576 1.00 0.00 C ATOM 1174 O PRO A 74 -2.695 -11.785 -7.606 1.00 0.00 O ATOM 1175 CB PRO A 74 -5.154 -13.516 -9.334 1.00 0.00 C ATOM 1176 CG PRO A 74 -5.310 -14.449 -8.183 1.00 0.00 C ATOM 1177 CD PRO A 74 -4.016 -15.209 -8.087 1.00 0.00 C ATOM 0 HA PRO A 74 -3.259 -12.964 -10.326 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -5.786 -12.635 -9.218 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -5.440 -13.993 -10.272 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -5.510 -13.902 -7.262 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -6.149 -15.126 -8.341 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -3.772 -15.458 -7.054 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -4.059 -16.148 -8.640 1.00 0.00 H new ATOM 1185 N HIS A 75 -4.121 -10.777 -9.026 1.00 0.00 N ATOM 1186 CA HIS A 75 -4.001 -9.469 -8.390 1.00 0.00 C ATOM 1187 C HIS A 75 -5.320 -8.706 -8.466 1.00 0.00 C ATOM 1188 O HIS A 75 -6.135 -8.942 -9.358 1.00 0.00 O ATOM 1189 CB HIS A 75 -2.889 -8.657 -9.054 1.00 0.00 C ATOM 1190 CG HIS A 75 -1.558 -8.804 -8.383 1.00 0.00 C ATOM 1191 ND1 HIS A 75 -0.885 -10.004 -8.301 1.00 0.00 N ATOM 1192 CD2 HIS A 75 -0.775 -7.891 -7.761 1.00 0.00 C ATOM 1193 CE1 HIS A 75 0.254 -9.825 -7.657 1.00 0.00 C ATOM 1194 NE2 HIS A 75 0.346 -8.551 -7.319 1.00 0.00 N ATOM 0 H HIS A 75 -4.751 -10.800 -9.828 1.00 0.00 H new ATOM 0 HA HIS A 75 -3.751 -9.623 -7.340 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -2.798 -8.965 -10.096 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -3.171 -7.604 -9.057 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -0.991 -6.840 -7.636 1.00 0.00 H new ATOM 0 HE1 HIS A 75 0.986 -10.590 -7.443 1.00 0.00 H new ATOM 0 HE2 HIS A 75 1.123 -8.127 -6.812 1.00 0.00 H new ATOM 1203 N CYS A 76 -5.522 -7.791 -7.525 1.00 0.00 N ATOM 1204 CA CYS A 76 -6.743 -6.993 -7.484 1.00 0.00 C ATOM 1205 C CYS A 76 -6.486 -5.579 -7.995 1.00 0.00 C ATOM 1206 O CYS A 76 -7.362 -4.956 -8.596 1.00 0.00 O ATOM 1207 CB CYS A 76 -7.295 -6.940 -6.058 1.00 0.00 C ATOM 1208 SG CYS A 76 -8.881 -6.084 -5.912 1.00 0.00 S ATOM 0 H CYS A 76 -4.857 -7.583 -6.780 1.00 0.00 H new ATOM 0 HA CYS A 76 -7.479 -7.467 -8.134 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -7.408 -7.958 -5.686 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -6.567 -6.445 -5.416 1.00 0.00 H new ATOM 0 HG CYS A 76 -9.005 -5.231 -6.885 1.00 0.00 H new ATOM 1214 N PHE A 77 -5.280 -5.078 -7.752 1.00 0.00 N ATOM 1215 CA PHE A 77 -4.908 -3.736 -8.186 1.00 0.00 C ATOM 1216 C PHE A 77 -3.392 -3.565 -8.187 1.00 0.00 C ATOM 1217 O PHE A 77 -2.668 -4.357 -7.584 1.00 0.00 O ATOM 1218 CB PHE A 77 -5.550 -2.687 -7.276 1.00 0.00 C ATOM 1219 CG PHE A 77 -4.864 -2.546 -5.947 1.00 0.00 C ATOM 1220 CD1 PHE A 77 -3.796 -1.676 -5.793 1.00 0.00 C ATOM 1221 CD2 PHE A 77 -5.287 -3.281 -4.852 1.00 0.00 C ATOM 1222 CE1 PHE A 77 -3.162 -1.545 -4.571 1.00 0.00 C ATOM 1223 CE2 PHE A 77 -4.658 -3.154 -3.628 1.00 0.00 C ATOM 1224 CZ PHE A 77 -3.595 -2.284 -3.487 1.00 0.00 C ATOM 0 H PHE A 77 -4.543 -5.581 -7.257 1.00 0.00 H new ATOM 0 HA PHE A 77 -5.272 -3.596 -9.204 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -5.542 -1.723 -7.784 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -6.594 -2.951 -7.111 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -3.455 -1.094 -6.637 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -6.119 -3.962 -4.956 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -2.329 -0.866 -4.464 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -4.997 -3.734 -2.783 1.00 0.00 H new ATOM 0 HZ PHE A 77 -3.103 -2.181 -2.531 1.00 0.00 H new ATOM 1234 N GLU A 78 -2.920 -2.527 -8.869 1.00 0.00 N ATOM 1235 CA GLU A 78 -1.490 -2.253 -8.950 1.00 0.00 C ATOM 1236 C GLU A 78 -1.222 -0.751 -8.934 1.00 0.00 C ATOM 1237 O GLU A 78 -1.832 0.008 -9.688 1.00 0.00 O ATOM 1238 CB GLU A 78 -0.900 -2.874 -10.218 1.00 0.00 C ATOM 1239 CG GLU A 78 -1.484 -4.234 -10.558 1.00 0.00 C ATOM 1240 CD GLU A 78 -2.693 -4.139 -11.469 1.00 0.00 C ATOM 1241 OE1 GLU A 78 -2.552 -3.600 -12.586 1.00 0.00 O ATOM 1242 OE2 GLU A 78 -3.780 -4.603 -11.064 1.00 0.00 O ATOM 0 H GLU A 78 -3.506 -1.862 -9.373 1.00 0.00 H new ATOM 0 HA GLU A 78 -1.011 -2.699 -8.079 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -1.067 -2.197 -11.056 1.00 0.00 H new ATOM 0 HB3 GLU A 78 0.179 -2.971 -10.097 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -0.719 -4.844 -11.038 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -1.767 -4.744 -9.637 1.00 0.00 H new ATOM 1249 N ILE A 79 -0.305 -0.329 -8.069 1.00 0.00 N ATOM 1250 CA ILE A 79 0.044 1.082 -7.954 1.00 0.00 C ATOM 1251 C ILE A 79 1.019 1.497 -9.051 1.00 0.00 C ATOM 1252 O ILE A 79 2.205 1.168 -8.998 1.00 0.00 O ATOM 1253 CB ILE A 79 0.668 1.397 -6.582 1.00 0.00 C ATOM 1254 CG1 ILE A 79 -0.256 0.926 -5.457 1.00 0.00 C ATOM 1255 CG2 ILE A 79 0.945 2.888 -6.456 1.00 0.00 C ATOM 1256 CD1 ILE A 79 0.377 0.997 -4.085 1.00 0.00 C ATOM 0 H ILE A 79 0.209 -0.944 -7.438 1.00 0.00 H new ATOM 0 HA ILE A 79 -0.882 1.647 -8.061 1.00 0.00 H new ATOM 0 HB ILE A 79 1.614 0.862 -6.499 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -1.161 1.534 -5.463 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -0.561 -0.102 -5.655 1.00 0.00 H new ATOM 0 HG21 ILE A 79 1.386 3.095 -5.481 1.00 0.00 H new ATOM 0 HG22 ILE A 79 1.636 3.197 -7.240 1.00 0.00 H new ATOM 0 HG23 ILE A 79 0.011 3.441 -6.557 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -0.335 0.648 -3.337 1.00 0.00 H new ATOM 0 HD12 ILE A 79 1.266 0.367 -4.061 1.00 0.00 H new ATOM 0 HD13 ILE A 79 0.657 2.027 -3.866 1.00 0.00 H new ATOM 1268 N ILE A 80 0.512 2.223 -10.041 1.00 0.00 N ATOM 1269 CA ILE A 80 1.339 2.686 -11.149 1.00 0.00 C ATOM 1270 C ILE A 80 2.049 3.989 -10.797 1.00 0.00 C ATOM 1271 O ILE A 80 1.413 4.975 -10.422 1.00 0.00 O ATOM 1272 CB ILE A 80 0.503 2.898 -12.425 1.00 0.00 C ATOM 1273 CG1 ILE A 80 -0.020 1.559 -12.946 1.00 0.00 C ATOM 1274 CG2 ILE A 80 1.332 3.600 -13.490 1.00 0.00 C ATOM 1275 CD1 ILE A 80 -1.361 1.166 -12.365 1.00 0.00 C ATOM 0 H ILE A 80 -0.467 2.503 -10.099 1.00 0.00 H new ATOM 0 HA ILE A 80 2.081 1.910 -11.336 1.00 0.00 H new ATOM 0 HB ILE A 80 -0.351 3.530 -12.182 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -0.104 1.609 -14.032 1.00 0.00 H new ATOM 0 HG13 ILE A 80 0.708 0.780 -12.718 1.00 0.00 H new ATOM 0 HG21 ILE A 80 0.728 3.743 -14.386 1.00 0.00 H new ATOM 0 HG22 ILE A 80 1.660 4.570 -13.115 1.00 0.00 H new ATOM 0 HG23 ILE A 80 2.203 2.991 -13.733 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -1.670 0.206 -12.779 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -1.278 1.084 -11.281 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -2.102 1.925 -12.615 1.00 0.00 H new ATOM 1287 N THR A 81 3.373 3.988 -10.922 1.00 0.00 N ATOM 1288 CA THR A 81 4.170 5.169 -10.618 1.00 0.00 C ATOM 1289 C THR A 81 5.101 5.516 -11.774 1.00 0.00 C ATOM 1290 O THR A 81 5.618 4.630 -12.455 1.00 0.00 O ATOM 1291 CB THR A 81 5.008 4.968 -9.342 1.00 0.00 C ATOM 1292 OG1 THR A 81 5.777 3.764 -9.444 1.00 0.00 O ATOM 1293 CG2 THR A 81 4.115 4.902 -8.112 1.00 0.00 C ATOM 0 H THR A 81 3.915 3.182 -11.232 1.00 0.00 H new ATOM 0 HA THR A 81 3.471 5.990 -10.459 1.00 0.00 H new ATOM 0 HB THR A 81 5.680 5.820 -9.239 1.00 0.00 H new ATOM 0 HG1 THR A 81 6.717 3.989 -9.608 1.00 0.00 H new ATOM 0 HG21 THR A 81 4.730 4.760 -7.223 1.00 0.00 H new ATOM 0 HG22 THR A 81 3.554 5.832 -8.020 1.00 0.00 H new ATOM 0 HG23 THR A 81 3.421 4.067 -8.211 1.00 0.00 H new ATOM 1301 N ASP A 82 5.312 6.810 -11.990 1.00 0.00 N ATOM 1302 CA ASP A 82 6.184 7.274 -13.064 1.00 0.00 C ATOM 1303 C ASP A 82 7.348 6.311 -13.273 1.00 0.00 C ATOM 1304 O ASP A 82 7.773 6.068 -14.403 1.00 0.00 O ATOM 1305 CB ASP A 82 6.713 8.674 -12.750 1.00 0.00 C ATOM 1306 CG ASP A 82 7.062 9.455 -14.002 1.00 0.00 C ATOM 1307 OD1 ASP A 82 7.383 8.819 -15.028 1.00 0.00 O ATOM 1308 OD2 ASP A 82 7.013 10.701 -13.956 1.00 0.00 O ATOM 0 H ASP A 82 4.891 7.556 -11.436 1.00 0.00 H new ATOM 0 HA ASP A 82 5.599 7.313 -13.983 1.00 0.00 H new ATOM 0 HB2 ASP A 82 5.964 9.223 -12.180 1.00 0.00 H new ATOM 0 HB3 ASP A 82 7.597 8.592 -12.118 1.00 0.00 H new ATOM 1313 N THR A 83 7.862 5.765 -12.175 1.00 0.00 N ATOM 1314 CA THR A 83 8.979 4.830 -12.238 1.00 0.00 C ATOM 1315 C THR A 83 8.553 3.505 -12.860 1.00 0.00 C ATOM 1316 O THR A 83 8.907 3.202 -13.999 1.00 0.00 O ATOM 1317 CB THR A 83 9.566 4.563 -10.839 1.00 0.00 C ATOM 1318 OG1 THR A 83 8.514 4.268 -9.914 1.00 0.00 O ATOM 1319 CG2 THR A 83 10.360 5.763 -10.347 1.00 0.00 C ATOM 0 H THR A 83 7.523 5.954 -11.232 1.00 0.00 H new ATOM 0 HA THR A 83 9.743 5.292 -12.863 1.00 0.00 H new ATOM 0 HB THR A 83 10.238 3.707 -10.909 1.00 0.00 H new ATOM 0 HG1 THR A 83 8.896 4.098 -9.028 1.00 0.00 H new ATOM 0 HG21 THR A 83 10.765 5.551 -9.357 1.00 0.00 H new ATOM 0 HG22 THR A 83 11.178 5.966 -11.038 1.00 0.00 H new ATOM 0 HG23 THR A 83 9.707 6.634 -10.293 1.00 0.00 H new ATOM 1327 N MET A 84 7.792 2.720 -12.105 1.00 0.00 N ATOM 1328 CA MET A 84 7.316 1.428 -12.584 1.00 0.00 C ATOM 1329 C MET A 84 5.989 1.059 -11.928 1.00 0.00 C ATOM 1330 O MET A 84 5.548 1.716 -10.985 1.00 0.00 O ATOM 1331 CB MET A 84 8.356 0.341 -12.304 1.00 0.00 C ATOM 1332 CG MET A 84 9.401 0.202 -13.399 1.00 0.00 C ATOM 1333 SD MET A 84 10.693 -0.983 -12.981 1.00 0.00 S ATOM 1334 CE MET A 84 9.712 -2.434 -12.604 1.00 0.00 C ATOM 0 H MET A 84 7.492 2.956 -11.159 1.00 0.00 H new ATOM 0 HA MET A 84 7.160 1.503 -13.660 1.00 0.00 H new ATOM 0 HB2 MET A 84 8.857 0.563 -11.362 1.00 0.00 H new ATOM 0 HB3 MET A 84 7.846 -0.614 -12.177 1.00 0.00 H new ATOM 0 HG2 MET A 84 8.914 -0.109 -14.323 1.00 0.00 H new ATOM 0 HG3 MET A 84 9.854 1.175 -13.589 1.00 0.00 H new ATOM 0 HE1 MET A 84 10.363 -3.306 -12.535 1.00 0.00 H new ATOM 0 HE2 MET A 84 9.198 -2.289 -11.654 1.00 0.00 H new ATOM 0 HE3 MET A 84 8.977 -2.591 -13.393 1.00 0.00 H new ATOM 1344 N VAL A 85 5.357 0.004 -12.433 1.00 0.00 N ATOM 1345 CA VAL A 85 4.081 -0.452 -11.896 1.00 0.00 C ATOM 1346 C VAL A 85 4.288 -1.462 -10.773 1.00 0.00 C ATOM 1347 O VAL A 85 5.149 -2.337 -10.862 1.00 0.00 O ATOM 1348 CB VAL A 85 3.207 -1.090 -12.991 1.00 0.00 C ATOM 1349 CG1 VAL A 85 1.931 -1.661 -12.391 1.00 0.00 C ATOM 1350 CG2 VAL A 85 2.887 -0.073 -14.076 1.00 0.00 C ATOM 0 H VAL A 85 5.708 -0.551 -13.213 1.00 0.00 H new ATOM 0 HA VAL A 85 3.571 0.427 -11.501 1.00 0.00 H new ATOM 0 HB VAL A 85 3.764 -1.909 -13.445 1.00 0.00 H new ATOM 0 HG11 VAL A 85 1.326 -2.108 -13.180 1.00 0.00 H new ATOM 0 HG12 VAL A 85 2.185 -2.422 -11.653 1.00 0.00 H new ATOM 0 HG13 VAL A 85 1.367 -0.863 -11.909 1.00 0.00 H new ATOM 0 HG21 VAL A 85 2.269 -0.541 -14.842 1.00 0.00 H new ATOM 0 HG22 VAL A 85 2.349 0.768 -13.639 1.00 0.00 H new ATOM 0 HG23 VAL A 85 3.814 0.283 -14.526 1.00 0.00 H new ATOM 1360 N TYR A 86 3.491 -1.336 -9.717 1.00 0.00 N ATOM 1361 CA TYR A 86 3.588 -2.237 -8.575 1.00 0.00 C ATOM 1362 C TYR A 86 2.343 -3.112 -8.465 1.00 0.00 C ATOM 1363 O TYR A 86 1.244 -2.620 -8.207 1.00 0.00 O ATOM 1364 CB TYR A 86 3.779 -1.439 -7.284 1.00 0.00 C ATOM 1365 CG TYR A 86 5.048 -0.617 -7.263 1.00 0.00 C ATOM 1366 CD1 TYR A 86 6.264 -1.170 -7.646 1.00 0.00 C ATOM 1367 CD2 TYR A 86 5.031 0.712 -6.859 1.00 0.00 C ATOM 1368 CE1 TYR A 86 7.426 -0.423 -7.628 1.00 0.00 C ATOM 1369 CE2 TYR A 86 6.187 1.468 -6.839 1.00 0.00 C ATOM 1370 CZ TYR A 86 7.382 0.896 -7.224 1.00 0.00 C ATOM 1371 OH TYR A 86 8.537 1.644 -7.205 1.00 0.00 O ATOM 0 H TYR A 86 2.771 -0.619 -9.629 1.00 0.00 H new ATOM 0 HA TYR A 86 4.453 -2.883 -8.726 1.00 0.00 H new ATOM 0 HB2 TYR A 86 2.924 -0.776 -7.146 1.00 0.00 H new ATOM 0 HB3 TYR A 86 3.788 -2.127 -6.439 1.00 0.00 H new ATOM 0 HD1 TYR A 86 6.301 -2.202 -7.963 1.00 0.00 H new ATOM 0 HD2 TYR A 86 4.097 1.162 -6.555 1.00 0.00 H new ATOM 0 HE1 TYR A 86 8.363 -0.868 -7.928 1.00 0.00 H new ATOM 0 HE2 TYR A 86 6.156 2.501 -6.524 1.00 0.00 H new ATOM 0 HH TYR A 86 8.334 2.552 -6.897 1.00 0.00 H new ATOM 1381 N PHE A 87 2.524 -4.414 -8.662 1.00 0.00 N ATOM 1382 CA PHE A 87 1.416 -5.360 -8.586 1.00 0.00 C ATOM 1383 C PHE A 87 1.147 -5.767 -7.141 1.00 0.00 C ATOM 1384 O PHE A 87 1.881 -6.569 -6.563 1.00 0.00 O ATOM 1385 CB PHE A 87 1.719 -6.600 -9.430 1.00 0.00 C ATOM 1386 CG PHE A 87 1.629 -6.356 -10.909 1.00 0.00 C ATOM 1387 CD1 PHE A 87 2.668 -5.739 -11.587 1.00 0.00 C ATOM 1388 CD2 PHE A 87 0.506 -6.744 -11.622 1.00 0.00 C ATOM 1389 CE1 PHE A 87 2.588 -5.512 -12.947 1.00 0.00 C ATOM 1390 CE2 PHE A 87 0.420 -6.520 -12.983 1.00 0.00 C ATOM 1391 CZ PHE A 87 1.463 -5.904 -13.647 1.00 0.00 C ATOM 0 H PHE A 87 3.427 -4.838 -8.875 1.00 0.00 H new ATOM 0 HA PHE A 87 0.525 -4.871 -8.978 1.00 0.00 H new ATOM 0 HB2 PHE A 87 2.720 -6.958 -9.189 1.00 0.00 H new ATOM 0 HB3 PHE A 87 1.023 -7.394 -9.158 1.00 0.00 H new ATOM 0 HD1 PHE A 87 3.551 -5.432 -11.046 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -0.312 -7.227 -11.108 1.00 0.00 H new ATOM 0 HE1 PHE A 87 3.404 -5.028 -13.463 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -0.461 -6.826 -13.527 1.00 0.00 H new ATOM 0 HZ PHE A 87 1.399 -5.729 -14.711 1.00 0.00 H new ATOM 1401 N VAL A 88 0.090 -5.208 -6.561 1.00 0.00 N ATOM 1402 CA VAL A 88 -0.277 -5.512 -5.184 1.00 0.00 C ATOM 1403 C VAL A 88 -1.520 -6.393 -5.128 1.00 0.00 C ATOM 1404 O VAL A 88 -2.492 -6.160 -5.846 1.00 0.00 O ATOM 1405 CB VAL A 88 -0.536 -4.227 -4.375 1.00 0.00 C ATOM 1406 CG1 VAL A 88 -0.866 -4.563 -2.928 1.00 0.00 C ATOM 1407 CG2 VAL A 88 0.665 -3.297 -4.454 1.00 0.00 C ATOM 0 H VAL A 88 -0.528 -4.541 -7.024 1.00 0.00 H new ATOM 0 HA VAL A 88 0.564 -6.047 -4.743 1.00 0.00 H new ATOM 0 HB VAL A 88 -1.394 -3.713 -4.808 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -1.046 -3.642 -2.373 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -1.759 -5.188 -2.894 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -0.030 -5.100 -2.479 1.00 0.00 H new ATOM 0 HG21 VAL A 88 0.465 -2.394 -3.877 1.00 0.00 H new ATOM 0 HG22 VAL A 88 1.542 -3.800 -4.048 1.00 0.00 H new ATOM 0 HG23 VAL A 88 0.850 -3.029 -5.494 1.00 0.00 H new ATOM 1417 N GLY A 89 -1.482 -7.407 -4.269 1.00 0.00 N ATOM 1418 CA GLY A 89 -2.612 -8.309 -4.135 1.00 0.00 C ATOM 1419 C GLY A 89 -2.231 -9.756 -4.376 1.00 0.00 C ATOM 1420 O GLY A 89 -1.716 -10.100 -5.439 1.00 0.00 O ATOM 0 H GLY A 89 -0.689 -7.620 -3.664 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -3.036 -8.210 -3.136 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -3.390 -8.019 -4.841 1.00 0.00 H new ATOM 1424 N GLU A 90 -2.482 -10.605 -3.384 1.00 0.00 N ATOM 1425 CA GLU A 90 -2.159 -12.023 -3.494 1.00 0.00 C ATOM 1426 C GLU A 90 -3.274 -12.882 -2.906 1.00 0.00 C ATOM 1427 O GLU A 90 -3.461 -12.929 -1.691 1.00 0.00 O ATOM 1428 CB GLU A 90 -0.839 -12.324 -2.781 1.00 0.00 C ATOM 1429 CG GLU A 90 -0.554 -13.809 -2.629 1.00 0.00 C ATOM 1430 CD GLU A 90 0.871 -14.088 -2.193 1.00 0.00 C ATOM 1431 OE1 GLU A 90 1.253 -13.637 -1.093 1.00 0.00 O ATOM 1432 OE2 GLU A 90 1.604 -14.757 -2.951 1.00 0.00 O ATOM 0 H GLU A 90 -2.907 -10.336 -2.497 1.00 0.00 H new ATOM 0 HA GLU A 90 -2.057 -12.265 -4.552 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -0.023 -11.861 -3.335 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -0.856 -11.863 -1.793 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -1.243 -14.235 -1.899 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -0.744 -14.311 -3.578 1.00 0.00 H new ATOM 1439 N ASN A 91 -4.013 -13.560 -3.778 1.00 0.00 N ATOM 1440 CA ASN A 91 -5.111 -14.417 -3.346 1.00 0.00 C ATOM 1441 C ASN A 91 -4.688 -15.883 -3.341 1.00 0.00 C ATOM 1442 O ASN A 91 -4.391 -16.458 -4.387 1.00 0.00 O ATOM 1443 CB ASN A 91 -6.323 -14.229 -4.261 1.00 0.00 C ATOM 1444 CG ASN A 91 -6.842 -12.804 -4.247 1.00 0.00 C ATOM 1445 OD1 ASN A 91 -6.240 -11.918 -3.638 1.00 0.00 O ATOM 1446 ND2 ASN A 91 -7.964 -12.576 -4.919 1.00 0.00 N ATOM 0 H ASN A 91 -3.871 -13.533 -4.788 1.00 0.00 H new ATOM 0 HA ASN A 91 -5.383 -14.132 -2.330 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -6.052 -14.504 -5.280 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -7.119 -14.906 -3.949 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -8.361 -11.637 -4.945 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -8.429 -13.340 -5.409 1.00 0.00 H new ATOM 1453 N ASN A 92 -4.662 -16.482 -2.154 1.00 0.00 N ATOM 1454 CA ASN A 92 -4.275 -17.880 -2.012 1.00 0.00 C ATOM 1455 C ASN A 92 -5.505 -18.779 -1.928 1.00 0.00 C ATOM 1456 O ASN A 92 -5.557 -19.704 -1.118 1.00 0.00 O ATOM 1457 CB ASN A 92 -3.408 -18.067 -0.765 1.00 0.00 C ATOM 1458 CG ASN A 92 -4.162 -17.764 0.515 1.00 0.00 C ATOM 1459 OD1 ASN A 92 -5.356 -17.463 0.488 1.00 0.00 O ATOM 1460 ND2 ASN A 92 -3.468 -17.842 1.644 1.00 0.00 N ATOM 0 H ASN A 92 -4.904 -16.020 -1.277 1.00 0.00 H new ATOM 0 HA ASN A 92 -3.699 -18.163 -2.893 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -3.040 -19.092 -0.732 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -2.535 -17.417 -0.832 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -3.923 -17.649 2.536 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -2.480 -18.095 1.619 1.00 0.00 H new ATOM 1467 N GLY A 93 -6.493 -18.501 -2.774 1.00 0.00 N ATOM 1468 CA GLY A 93 -7.709 -19.294 -2.780 1.00 0.00 C ATOM 1469 C GLY A 93 -8.422 -19.272 -1.442 1.00 0.00 C ATOM 1470 O GLY A 93 -8.515 -20.296 -0.764 1.00 0.00 O ATOM 0 H GLY A 93 -6.473 -17.742 -3.455 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -8.380 -18.918 -3.552 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -7.466 -20.324 -3.042 1.00 0.00 H new ATOM 1474 N ASP A 94 -8.925 -18.103 -1.061 1.00 0.00 N ATOM 1475 CA ASP A 94 -9.633 -17.952 0.205 1.00 0.00 C ATOM 1476 C ASP A 94 -11.054 -18.497 0.101 1.00 0.00 C ATOM 1477 O ASP A 94 -11.895 -17.935 -0.600 1.00 0.00 O ATOM 1478 CB ASP A 94 -9.666 -16.481 0.623 1.00 0.00 C ATOM 1479 CG ASP A 94 -8.279 -15.910 0.841 1.00 0.00 C ATOM 1480 OD1 ASP A 94 -7.455 -16.585 1.493 1.00 0.00 O ATOM 1481 OD2 ASP A 94 -8.017 -14.788 0.359 1.00 0.00 O ATOM 0 H ASP A 94 -8.856 -17.246 -1.610 1.00 0.00 H new ATOM 0 HA ASP A 94 -9.098 -18.525 0.963 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -10.179 -15.900 -0.144 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -10.246 -16.380 1.541 1.00 0.00 H new ATOM 1486 N SER A 95 -11.314 -19.595 0.803 1.00 0.00 N ATOM 1487 CA SER A 95 -12.632 -20.219 0.786 1.00 0.00 C ATOM 1488 C SER A 95 -13.636 -19.389 1.581 1.00 0.00 C ATOM 1489 O SER A 95 -14.712 -19.056 1.086 1.00 0.00 O ATOM 1490 CB SER A 95 -12.557 -21.635 1.360 1.00 0.00 C ATOM 1491 OG SER A 95 -11.989 -21.630 2.658 1.00 0.00 O ATOM 0 H SER A 95 -10.630 -20.071 1.391 1.00 0.00 H new ATOM 0 HA SER A 95 -12.968 -20.272 -0.249 1.00 0.00 H new ATOM 0 HB2 SER A 95 -13.556 -22.068 1.399 1.00 0.00 H new ATOM 0 HB3 SER A 95 -11.961 -22.267 0.701 1.00 0.00 H new ATOM 0 HG SER A 95 -11.954 -22.547 3.003 1.00 0.00 H new ATOM 1497 N SER A 96 -13.275 -19.059 2.817 1.00 0.00 N ATOM 1498 CA SER A 96 -14.144 -18.271 3.683 1.00 0.00 C ATOM 1499 C SER A 96 -13.358 -17.165 4.381 1.00 0.00 C ATOM 1500 O SER A 96 -12.288 -17.406 4.940 1.00 0.00 O ATOM 1501 CB SER A 96 -14.814 -19.171 4.723 1.00 0.00 C ATOM 1502 OG SER A 96 -15.563 -20.201 4.100 1.00 0.00 O ATOM 0 H SER A 96 -12.386 -19.325 3.241 1.00 0.00 H new ATOM 0 HA SER A 96 -14.913 -17.810 3.063 1.00 0.00 H new ATOM 0 HB2 SER A 96 -14.056 -19.610 5.371 1.00 0.00 H new ATOM 0 HB3 SER A 96 -15.469 -18.574 5.357 1.00 0.00 H new ATOM 0 HG SER A 96 -15.980 -20.763 4.786 1.00 0.00 H new ATOM 1508 N HIS A 97 -13.898 -15.951 4.345 1.00 0.00 N ATOM 1509 CA HIS A 97 -13.249 -14.807 4.975 1.00 0.00 C ATOM 1510 C HIS A 97 -12.625 -15.203 6.309 1.00 0.00 C ATOM 1511 O HIS A 97 -13.331 -15.472 7.280 1.00 0.00 O ATOM 1512 CB HIS A 97 -14.255 -13.675 5.184 1.00 0.00 C ATOM 1513 CG HIS A 97 -15.113 -13.406 3.987 1.00 0.00 C ATOM 1514 ND1 HIS A 97 -16.488 -13.516 4.007 1.00 0.00 N ATOM 1515 CD2 HIS A 97 -14.785 -13.030 2.729 1.00 0.00 C ATOM 1516 CE1 HIS A 97 -16.968 -13.220 2.812 1.00 0.00 C ATOM 1517 NE2 HIS A 97 -15.955 -12.921 2.018 1.00 0.00 N ATOM 0 H HIS A 97 -14.783 -15.734 3.886 1.00 0.00 H new ATOM 0 HA HIS A 97 -12.456 -14.460 4.313 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -14.895 -13.921 6.031 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -13.716 -12.765 5.446 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -13.788 -12.849 2.354 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -18.011 -13.222 2.532 1.00 0.00 H new ATOM 0 HE2 HIS A 97 -16.030 -12.653 1.037 1.00 0.00 H new ATOM 1526 N ASN A 98 -11.297 -15.237 6.349 1.00 0.00 N ATOM 1527 CA ASN A 98 -10.578 -15.602 7.565 1.00 0.00 C ATOM 1528 C ASN A 98 -9.877 -14.388 8.167 1.00 0.00 C ATOM 1529 O ASN A 98 -8.992 -13.785 7.560 1.00 0.00 O ATOM 1530 CB ASN A 98 -9.554 -16.699 7.267 1.00 0.00 C ATOM 1531 CG ASN A 98 -9.314 -17.605 8.459 1.00 0.00 C ATOM 1532 OD1 ASN A 98 -9.770 -17.324 9.568 1.00 0.00 O ATOM 1533 ND2 ASN A 98 -8.594 -18.698 8.236 1.00 0.00 N ATOM 0 H ASN A 98 -10.697 -15.016 5.554 1.00 0.00 H new ATOM 0 HA ASN A 98 -11.303 -15.977 8.287 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -9.901 -17.297 6.424 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -8.612 -16.241 6.967 1.00 0.00 H new ATOM 0 HD21 ASN A 98 -8.399 -19.345 9.000 1.00 0.00 H new ATOM 0 HD22 ASN A 98 -8.236 -18.891 7.301 1.00 0.00 H new ATOM 1540 N PRO A 99 -10.282 -14.019 9.392 1.00 0.00 N ATOM 1541 CA PRO A 99 -9.706 -12.875 10.105 1.00 0.00 C ATOM 1542 C PRO A 99 -8.270 -13.132 10.549 1.00 0.00 C ATOM 1543 O PRO A 99 -7.547 -12.205 10.916 1.00 0.00 O ATOM 1544 CB PRO A 99 -10.622 -12.716 11.321 1.00 0.00 C ATOM 1545 CG PRO A 99 -11.198 -14.073 11.540 1.00 0.00 C ATOM 1546 CD PRO A 99 -11.332 -14.691 10.175 1.00 0.00 C ATOM 0 HA PRO A 99 -9.654 -11.987 9.475 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -10.065 -12.376 12.194 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -11.403 -11.979 11.135 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -10.550 -14.674 12.178 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -12.166 -14.011 12.037 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -11.182 -15.770 10.206 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -12.321 -14.519 9.751 1.00 0.00 H new ATOM 1554 N VAL A 100 -7.862 -14.396 10.514 1.00 0.00 N ATOM 1555 CA VAL A 100 -6.511 -14.775 10.912 1.00 0.00 C ATOM 1556 C VAL A 100 -5.517 -14.530 9.783 1.00 0.00 C ATOM 1557 O VAL A 100 -4.324 -14.335 10.023 1.00 0.00 O ATOM 1558 CB VAL A 100 -6.443 -16.256 11.328 1.00 0.00 C ATOM 1559 CG1 VAL A 100 -6.651 -17.160 10.122 1.00 0.00 C ATOM 1560 CG2 VAL A 100 -5.117 -16.558 12.008 1.00 0.00 C ATOM 0 H VAL A 100 -8.447 -15.176 10.214 1.00 0.00 H new ATOM 0 HA VAL A 100 -6.247 -14.153 11.767 1.00 0.00 H new ATOM 0 HB VAL A 100 -7.244 -16.452 12.041 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -6.600 -18.203 10.436 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -7.628 -16.961 9.682 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -5.874 -16.965 9.383 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -5.086 -17.609 12.295 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -4.299 -16.346 11.320 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -5.014 -15.936 12.897 1.00 0.00 H new ATOM 1570 N LEU A 101 -6.014 -14.540 8.551 1.00 0.00 N ATOM 1571 CA LEU A 101 -5.169 -14.317 7.383 1.00 0.00 C ATOM 1572 C LEU A 101 -4.971 -12.826 7.130 1.00 0.00 C ATOM 1573 O LEU A 101 -3.850 -12.366 6.916 1.00 0.00 O ATOM 1574 CB LEU A 101 -5.786 -14.978 6.149 1.00 0.00 C ATOM 1575 CG LEU A 101 -5.903 -16.502 6.192 1.00 0.00 C ATOM 1576 CD1 LEU A 101 -6.734 -17.007 5.023 1.00 0.00 C ATOM 1577 CD2 LEU A 101 -4.523 -17.143 6.184 1.00 0.00 C ATOM 0 H LEU A 101 -6.998 -14.700 8.335 1.00 0.00 H new ATOM 0 HA LEU A 101 -4.195 -14.765 7.579 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -6.782 -14.561 5.998 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -5.190 -14.704 5.278 1.00 0.00 H new ATOM 0 HG LEU A 101 -6.407 -16.783 7.117 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -6.806 -18.094 5.070 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -7.733 -16.574 5.073 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -6.259 -16.715 4.086 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -4.625 -18.228 6.215 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -3.993 -16.854 5.276 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -3.961 -16.807 7.055 1.00 0.00 H new ATOM 1589 N ALA A 102 -6.068 -12.076 7.158 1.00 0.00 N ATOM 1590 CA ALA A 102 -6.015 -10.636 6.936 1.00 0.00 C ATOM 1591 C ALA A 102 -5.123 -9.954 7.967 1.00 0.00 C ATOM 1592 O ALA A 102 -4.332 -9.073 7.632 1.00 0.00 O ATOM 1593 CB ALA A 102 -7.416 -10.044 6.973 1.00 0.00 C ATOM 0 H ALA A 102 -7.004 -12.442 7.332 1.00 0.00 H new ATOM 0 HA ALA A 102 -5.585 -10.461 5.950 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -7.361 -8.968 6.806 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -8.025 -10.502 6.194 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -7.867 -10.237 7.946 1.00 0.00 H new ATOM 1599 N ALA A 103 -5.256 -10.367 9.223 1.00 0.00 N ATOM 1600 CA ALA A 103 -4.461 -9.797 10.304 1.00 0.00 C ATOM 1601 C ALA A 103 -3.061 -9.433 9.822 1.00 0.00 C ATOM 1602 O ALA A 103 -2.557 -8.346 10.108 1.00 0.00 O ATOM 1603 CB ALA A 103 -4.383 -10.769 11.472 1.00 0.00 C ATOM 0 H ALA A 103 -5.907 -11.095 9.517 1.00 0.00 H new ATOM 0 HA ALA A 103 -4.951 -8.883 10.639 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -3.786 -10.330 12.272 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -5.388 -10.976 11.841 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -3.919 -11.698 11.142 1.00 0.00 H new ATOM 1609 N THR A 104 -2.436 -10.349 9.088 1.00 0.00 N ATOM 1610 CA THR A 104 -1.093 -10.125 8.568 1.00 0.00 C ATOM 1611 C THR A 104 -1.133 -9.342 7.261 1.00 0.00 C ATOM 1612 O THR A 104 -0.362 -8.404 7.064 1.00 0.00 O ATOM 1613 CB THR A 104 -0.352 -11.455 8.335 1.00 0.00 C ATOM 1614 OG1 THR A 104 -1.046 -12.237 7.356 1.00 0.00 O ATOM 1615 CG2 THR A 104 -0.234 -12.243 9.630 1.00 0.00 C ATOM 0 H THR A 104 -2.839 -11.253 8.841 1.00 0.00 H new ATOM 0 HA THR A 104 -0.556 -9.545 9.319 1.00 0.00 H new ATOM 0 HB THR A 104 0.651 -11.228 7.974 1.00 0.00 H new ATOM 0 HG1 THR A 104 -2.009 -12.070 7.427 1.00 0.00 H new ATOM 0 HG21 THR A 104 0.293 -13.178 9.440 1.00 0.00 H new ATOM 0 HG22 THR A 104 0.320 -11.657 10.363 1.00 0.00 H new ATOM 0 HG23 THR A 104 -1.230 -12.460 10.016 1.00 0.00 H new ATOM 1623 N GLY A 105 -2.038 -9.735 6.369 1.00 0.00 N ATOM 1624 CA GLY A 105 -2.162 -9.058 5.091 1.00 0.00 C ATOM 1625 C GLY A 105 -1.940 -9.991 3.917 1.00 0.00 C ATOM 1626 O GLY A 105 -1.189 -9.673 2.995 1.00 0.00 O ATOM 0 H GLY A 105 -2.687 -10.509 6.509 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -3.154 -8.612 5.014 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -1.441 -8.242 5.044 1.00 0.00 H new ATOM 1630 N VAL A 106 -2.594 -11.148 3.951 1.00 0.00 N ATOM 1631 CA VAL A 106 -2.465 -12.131 2.882 1.00 0.00 C ATOM 1632 C VAL A 106 -3.832 -12.577 2.377 1.00 0.00 C ATOM 1633 O VAL A 106 -4.499 -13.400 3.002 1.00 0.00 O ATOM 1634 CB VAL A 106 -1.674 -13.368 3.350 1.00 0.00 C ATOM 1635 CG1 VAL A 106 -1.645 -14.427 2.259 1.00 0.00 C ATOM 1636 CG2 VAL A 106 -0.263 -12.974 3.760 1.00 0.00 C ATOM 0 H VAL A 106 -3.219 -11.427 4.708 1.00 0.00 H new ATOM 0 HA VAL A 106 -1.922 -11.647 2.070 1.00 0.00 H new ATOM 0 HB VAL A 106 -2.176 -13.791 4.220 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -1.082 -15.293 2.607 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -2.664 -14.729 2.018 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -1.168 -14.019 1.368 1.00 0.00 H new ATOM 0 HG21 VAL A 106 0.281 -13.860 4.088 1.00 0.00 H new ATOM 0 HG22 VAL A 106 0.251 -12.526 2.910 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -0.309 -12.254 4.577 1.00 0.00 H new ATOM 1646 N GLY A 107 -4.244 -12.027 1.238 1.00 0.00 N ATOM 1647 CA GLY A 107 -5.531 -12.380 0.667 1.00 0.00 C ATOM 1648 C GLY A 107 -6.188 -11.215 -0.046 1.00 0.00 C ATOM 1649 O GLY A 107 -5.591 -10.147 -0.186 1.00 0.00 O ATOM 0 H GLY A 107 -3.710 -11.344 0.701 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -5.400 -13.204 -0.034 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -6.191 -12.736 1.458 1.00 0.00 H new ATOM 1653 N LEU A 108 -7.419 -11.421 -0.501 1.00 0.00 N ATOM 1654 CA LEU A 108 -8.158 -10.379 -1.206 1.00 0.00 C ATOM 1655 C LEU A 108 -8.883 -9.466 -0.223 1.00 0.00 C ATOM 1656 O LEU A 108 -8.988 -8.259 -0.442 1.00 0.00 O ATOM 1657 CB LEU A 108 -9.163 -11.005 -2.174 1.00 0.00 C ATOM 1658 CG LEU A 108 -10.180 -10.049 -2.797 1.00 0.00 C ATOM 1659 CD1 LEU A 108 -9.596 -9.378 -4.031 1.00 0.00 C ATOM 1660 CD2 LEU A 108 -11.463 -10.789 -3.147 1.00 0.00 C ATOM 0 H LEU A 108 -7.926 -12.299 -0.395 1.00 0.00 H new ATOM 0 HA LEU A 108 -7.443 -9.780 -1.771 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -8.609 -11.489 -2.978 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -9.707 -11.788 -1.645 1.00 0.00 H new ATOM 0 HG LEU A 108 -10.418 -9.276 -2.066 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -10.334 -8.701 -4.461 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -8.706 -8.814 -3.752 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -9.329 -10.137 -4.766 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -12.175 -10.093 -3.589 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -11.242 -11.584 -3.860 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -11.892 -11.221 -2.243 1.00 0.00 H new ATOM 1672 N ASP A 109 -9.381 -10.049 0.862 1.00 0.00 N ATOM 1673 CA ASP A 109 -10.093 -9.288 1.881 1.00 0.00 C ATOM 1674 C ASP A 109 -9.307 -8.043 2.279 1.00 0.00 C ATOM 1675 O ASP A 109 -9.784 -6.918 2.124 1.00 0.00 O ATOM 1676 CB ASP A 109 -10.350 -10.158 3.113 1.00 0.00 C ATOM 1677 CG ASP A 109 -10.824 -9.350 4.304 1.00 0.00 C ATOM 1678 OD1 ASP A 109 -12.032 -9.038 4.366 1.00 0.00 O ATOM 1679 OD2 ASP A 109 -9.988 -9.029 5.175 1.00 0.00 O ATOM 0 H ASP A 109 -9.304 -11.047 1.058 1.00 0.00 H new ATOM 0 HA ASP A 109 -11.049 -8.974 1.461 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -11.097 -10.914 2.871 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -9.435 -10.687 3.378 1.00 0.00 H new ATOM 1684 N VAL A 110 -8.099 -8.251 2.793 1.00 0.00 N ATOM 1685 CA VAL A 110 -7.246 -7.145 3.212 1.00 0.00 C ATOM 1686 C VAL A 110 -6.907 -6.235 2.037 1.00 0.00 C ATOM 1687 O VAL A 110 -6.718 -5.031 2.205 1.00 0.00 O ATOM 1688 CB VAL A 110 -5.937 -7.655 3.846 1.00 0.00 C ATOM 1689 CG1 VAL A 110 -5.197 -8.568 2.880 1.00 0.00 C ATOM 1690 CG2 VAL A 110 -5.060 -6.487 4.268 1.00 0.00 C ATOM 0 H VAL A 110 -7.689 -9.175 2.929 1.00 0.00 H new ATOM 0 HA VAL A 110 -7.806 -6.579 3.956 1.00 0.00 H new ATOM 0 HB VAL A 110 -6.185 -8.233 4.736 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -4.275 -8.919 3.344 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -5.827 -9.423 2.633 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -4.958 -8.018 1.970 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -4.140 -6.865 4.714 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -4.818 -5.880 3.396 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -5.593 -5.877 4.998 1.00 0.00 H new ATOM 1700 N ALA A 111 -6.833 -6.820 0.846 1.00 0.00 N ATOM 1701 CA ALA A 111 -6.520 -6.061 -0.359 1.00 0.00 C ATOM 1702 C ALA A 111 -7.609 -5.038 -0.662 1.00 0.00 C ATOM 1703 O ALA A 111 -7.333 -3.846 -0.797 1.00 0.00 O ATOM 1704 CB ALA A 111 -6.333 -7.001 -1.541 1.00 0.00 C ATOM 0 H ALA A 111 -6.985 -7.816 0.690 1.00 0.00 H new ATOM 0 HA ALA A 111 -5.589 -5.521 -0.187 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -6.100 -6.421 -2.434 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -5.515 -7.690 -1.332 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -7.250 -7.566 -1.705 1.00 0.00 H new ATOM 1710 N GLN A 112 -8.847 -5.512 -0.769 1.00 0.00 N ATOM 1711 CA GLN A 112 -9.977 -4.637 -1.057 1.00 0.00 C ATOM 1712 C GLN A 112 -9.931 -3.384 -0.190 1.00 0.00 C ATOM 1713 O GLN A 112 -10.227 -2.283 -0.655 1.00 0.00 O ATOM 1714 CB GLN A 112 -11.295 -5.380 -0.832 1.00 0.00 C ATOM 1715 CG GLN A 112 -11.755 -6.183 -2.038 1.00 0.00 C ATOM 1716 CD GLN A 112 -13.232 -6.519 -1.987 1.00 0.00 C ATOM 1717 OE1 GLN A 112 -14.013 -5.836 -1.324 1.00 0.00 O ATOM 1718 NE2 GLN A 112 -13.624 -7.576 -2.688 1.00 0.00 N ATOM 0 H GLN A 112 -9.092 -6.496 -0.661 1.00 0.00 H new ATOM 0 HA GLN A 112 -9.912 -4.335 -2.102 1.00 0.00 H new ATOM 0 HB2 GLN A 112 -11.183 -6.051 0.020 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -12.069 -4.659 -0.570 1.00 0.00 H new ATOM 0 HG2 GLN A 112 -11.546 -5.618 -2.947 1.00 0.00 H new ATOM 0 HG3 GLN A 112 -11.178 -7.106 -2.096 1.00 0.00 H new ATOM 0 HE21 GLN A 112 -12.943 -8.114 -3.224 1.00 0.00 H new ATOM 0 HE22 GLN A 112 -14.606 -7.850 -2.691 1.00 0.00 H new ATOM 1727 N SER A 113 -9.558 -3.559 1.074 1.00 0.00 N ATOM 1728 CA SER A 113 -9.477 -2.442 2.009 1.00 0.00 C ATOM 1729 C SER A 113 -8.420 -1.436 1.563 1.00 0.00 C ATOM 1730 O SER A 113 -8.706 -0.249 1.404 1.00 0.00 O ATOM 1731 CB SER A 113 -9.154 -2.949 3.416 1.00 0.00 C ATOM 1732 OG SER A 113 -10.297 -3.525 4.025 1.00 0.00 O ATOM 0 H SER A 113 -9.307 -4.463 1.474 1.00 0.00 H new ATOM 0 HA SER A 113 -10.446 -1.942 2.025 1.00 0.00 H new ATOM 0 HB2 SER A 113 -8.354 -3.688 3.365 1.00 0.00 H new ATOM 0 HB3 SER A 113 -8.788 -2.125 4.028 1.00 0.00 H new ATOM 0 HG SER A 113 -10.064 -3.843 4.922 1.00 0.00 H new ATOM 1738 N TRP A 114 -7.200 -1.920 1.364 1.00 0.00 N ATOM 1739 CA TRP A 114 -6.099 -1.064 0.937 1.00 0.00 C ATOM 1740 C TRP A 114 -6.519 -0.178 -0.231 1.00 0.00 C ATOM 1741 O TRP A 114 -6.522 1.047 -0.122 1.00 0.00 O ATOM 1742 CB TRP A 114 -4.890 -1.912 0.541 1.00 0.00 C ATOM 1743 CG TRP A 114 -3.985 -2.232 1.692 1.00 0.00 C ATOM 1744 CD1 TRP A 114 -3.969 -3.384 2.426 1.00 0.00 C ATOM 1745 CD2 TRP A 114 -2.967 -1.389 2.242 1.00 0.00 C ATOM 1746 NE1 TRP A 114 -3.002 -3.307 3.399 1.00 0.00 N ATOM 1747 CE2 TRP A 114 -2.373 -2.094 3.307 1.00 0.00 C ATOM 1748 CE3 TRP A 114 -2.499 -0.108 1.938 1.00 0.00 C ATOM 1749 CZ2 TRP A 114 -1.336 -1.559 4.067 1.00 0.00 C ATOM 1750 CZ3 TRP A 114 -1.470 0.422 2.693 1.00 0.00 C ATOM 1751 CH2 TRP A 114 -0.897 -0.303 3.747 1.00 0.00 C ATOM 0 H TRP A 114 -6.948 -2.900 1.491 1.00 0.00 H new ATOM 0 HA TRP A 114 -5.825 -0.423 1.775 1.00 0.00 H new ATOM 0 HB2 TRP A 114 -5.239 -2.842 0.093 1.00 0.00 H new ATOM 0 HB3 TRP A 114 -4.320 -1.384 -0.224 1.00 0.00 H new ATOM 0 HD1 TRP A 114 -4.620 -4.230 2.265 1.00 0.00 H new ATOM 0 HE1 TRP A 114 -2.787 -4.036 4.080 1.00 0.00 H new ATOM 0 HE3 TRP A 114 -2.934 0.458 1.127 1.00 0.00 H new ATOM 0 HZ2 TRP A 114 -0.894 -2.116 4.880 1.00 0.00 H new ATOM 0 HZ3 TRP A 114 -1.101 1.412 2.467 1.00 0.00 H new ATOM 0 HH2 TRP A 114 -0.093 0.138 4.318 1.00 0.00 H new ATOM 1762 N GLU A 115 -6.874 -0.807 -1.347 1.00 0.00 N ATOM 1763 CA GLU A 115 -7.296 -0.074 -2.535 1.00 0.00 C ATOM 1764 C GLU A 115 -8.199 1.097 -2.159 1.00 0.00 C ATOM 1765 O GLU A 115 -7.990 2.225 -2.607 1.00 0.00 O ATOM 1766 CB GLU A 115 -8.028 -1.006 -3.503 1.00 0.00 C ATOM 1767 CG GLU A 115 -8.619 -0.291 -4.706 1.00 0.00 C ATOM 1768 CD GLU A 115 -9.955 0.358 -4.401 1.00 0.00 C ATOM 1769 OE1 GLU A 115 -10.784 -0.284 -3.723 1.00 0.00 O ATOM 1770 OE2 GLU A 115 -10.171 1.507 -4.840 1.00 0.00 O ATOM 0 H GLU A 115 -6.878 -1.821 -1.453 1.00 0.00 H new ATOM 0 HA GLU A 115 -6.405 0.319 -3.024 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -7.335 -1.772 -3.851 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -8.827 -1.518 -2.967 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -7.920 0.471 -5.051 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -8.743 -1.003 -5.522 1.00 0.00 H new ATOM 1777 N LYS A 116 -9.203 0.822 -1.335 1.00 0.00 N ATOM 1778 CA LYS A 116 -10.139 1.851 -0.897 1.00 0.00 C ATOM 1779 C LYS A 116 -9.419 2.942 -0.112 1.00 0.00 C ATOM 1780 O LYS A 116 -9.660 4.131 -0.319 1.00 0.00 O ATOM 1781 CB LYS A 116 -11.244 1.233 -0.037 1.00 0.00 C ATOM 1782 CG LYS A 116 -12.217 0.373 -0.824 1.00 0.00 C ATOM 1783 CD LYS A 116 -13.250 1.219 -1.548 1.00 0.00 C ATOM 1784 CE LYS A 116 -14.372 1.648 -0.615 1.00 0.00 C ATOM 1785 NZ LYS A 116 -14.044 2.910 0.104 1.00 0.00 N ATOM 0 H LYS A 116 -9.390 -0.106 -0.956 1.00 0.00 H new ATOM 0 HA LYS A 116 -10.587 2.301 -1.783 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -10.788 0.627 0.746 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -11.796 2.031 0.459 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -11.668 -0.230 -1.547 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -12.721 -0.319 -0.149 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -12.768 2.101 -1.970 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -13.665 0.653 -2.382 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -15.289 1.785 -1.188 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -14.564 0.857 0.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -14.896 3.503 0.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -13.703 2.686 1.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -13.304 3.424 -0.416 1.00 0.00 H new ATOM 1799 N ALA A 117 -8.533 2.530 0.790 1.00 0.00 N ATOM 1800 CA ALA A 117 -7.776 3.473 1.603 1.00 0.00 C ATOM 1801 C ALA A 117 -6.838 4.311 0.742 1.00 0.00 C ATOM 1802 O ALA A 117 -6.977 5.532 0.663 1.00 0.00 O ATOM 1803 CB ALA A 117 -6.990 2.732 2.675 1.00 0.00 C ATOM 0 H ALA A 117 -8.322 1.549 0.975 1.00 0.00 H new ATOM 0 HA ALA A 117 -8.483 4.148 2.086 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -6.429 3.448 3.275 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -7.679 2.182 3.316 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -6.299 2.034 2.202 1.00 0.00 H new ATOM 1809 N ILE A 118 -5.882 3.649 0.098 1.00 0.00 N ATOM 1810 CA ILE A 118 -4.922 4.334 -0.757 1.00 0.00 C ATOM 1811 C ILE A 118 -5.626 5.266 -1.738 1.00 0.00 C ATOM 1812 O ILE A 118 -5.209 6.408 -1.934 1.00 0.00 O ATOM 1813 CB ILE A 118 -4.057 3.334 -1.547 1.00 0.00 C ATOM 1814 CG1 ILE A 118 -3.287 2.424 -0.589 1.00 0.00 C ATOM 1815 CG2 ILE A 118 -3.099 4.074 -2.468 1.00 0.00 C ATOM 1816 CD1 ILE A 118 -2.707 1.196 -1.256 1.00 0.00 C ATOM 0 H ILE A 118 -5.752 2.639 0.153 1.00 0.00 H new ATOM 0 HA ILE A 118 -4.278 4.920 -0.101 1.00 0.00 H new ATOM 0 HB ILE A 118 -4.712 2.714 -2.159 1.00 0.00 H new ATOM 0 HG12 ILE A 118 -2.479 2.994 -0.130 1.00 0.00 H new ATOM 0 HG13 ILE A 118 -3.953 2.110 0.215 1.00 0.00 H new ATOM 0 HG21 ILE A 118 -2.495 3.354 -3.019 1.00 0.00 H new ATOM 0 HG22 ILE A 118 -3.667 4.684 -3.170 1.00 0.00 H new ATOM 0 HG23 ILE A 118 -2.447 4.716 -1.875 1.00 0.00 H new ATOM 0 HD11 ILE A 118 -2.175 0.597 -0.517 1.00 0.00 H new ATOM 0 HD12 ILE A 118 -3.512 0.604 -1.691 1.00 0.00 H new ATOM 0 HD13 ILE A 118 -2.016 1.501 -2.042 1.00 0.00 H new ATOM 1828 N ARG A 119 -6.696 4.771 -2.351 1.00 0.00 N ATOM 1829 CA ARG A 119 -7.460 5.559 -3.311 1.00 0.00 C ATOM 1830 C ARG A 119 -8.186 6.707 -2.617 1.00 0.00 C ATOM 1831 O ARG A 119 -8.172 7.841 -3.094 1.00 0.00 O ATOM 1832 CB ARG A 119 -8.468 4.672 -4.044 1.00 0.00 C ATOM 1833 CG ARG A 119 -9.065 5.323 -5.281 1.00 0.00 C ATOM 1834 CD ARG A 119 -8.072 5.346 -6.433 1.00 0.00 C ATOM 1835 NE ARG A 119 -8.715 5.674 -7.703 1.00 0.00 N ATOM 1836 CZ ARG A 119 -8.057 6.127 -8.764 1.00 0.00 C ATOM 1837 NH1 ARG A 119 -6.744 6.305 -8.708 1.00 0.00 N ATOM 1838 NH2 ARG A 119 -8.712 6.403 -9.884 1.00 0.00 N ATOM 0 H ARG A 119 -7.054 3.828 -2.200 1.00 0.00 H new ATOM 0 HA ARG A 119 -6.762 5.979 -4.035 1.00 0.00 H new ATOM 0 HB2 ARG A 119 -7.978 3.742 -4.334 1.00 0.00 H new ATOM 0 HB3 ARG A 119 -9.273 4.408 -3.358 1.00 0.00 H new ATOM 0 HG2 ARG A 119 -9.961 4.780 -5.582 1.00 0.00 H new ATOM 0 HG3 ARG A 119 -9.373 6.341 -5.045 1.00 0.00 H new ATOM 0 HD2 ARG A 119 -7.290 6.076 -6.223 1.00 0.00 H new ATOM 0 HD3 ARG A 119 -7.587 4.373 -6.513 1.00 0.00 H new ATOM 0 HE ARG A 119 -9.724 5.548 -7.779 1.00 0.00 H new ATOM 0 HH11 ARG A 119 -6.237 6.094 -7.849 1.00 0.00 H new ATOM 0 HH12 ARG A 119 -6.241 6.653 -9.524 1.00 0.00 H new ATOM 0 HH21 ARG A 119 -9.722 6.267 -9.931 1.00 0.00 H new ATOM 0 HH22 ARG A 119 -8.206 6.751 -10.698 1.00 0.00 H new ATOM 1852 N GLN A 120 -8.820 6.403 -1.489 1.00 0.00 N ATOM 1853 CA GLN A 120 -9.553 7.410 -0.730 1.00 0.00 C ATOM 1854 C GLN A 120 -8.664 8.607 -0.413 1.00 0.00 C ATOM 1855 O GLN A 120 -8.997 9.745 -0.746 1.00 0.00 O ATOM 1856 CB GLN A 120 -10.097 6.806 0.566 1.00 0.00 C ATOM 1857 CG GLN A 120 -10.825 7.809 1.446 1.00 0.00 C ATOM 1858 CD GLN A 120 -11.177 7.244 2.808 1.00 0.00 C ATOM 1859 OE1 GLN A 120 -12.315 6.838 3.049 1.00 0.00 O ATOM 1860 NE2 GLN A 120 -10.201 7.213 3.707 1.00 0.00 N ATOM 0 H GLN A 120 -8.841 5.469 -1.081 1.00 0.00 H new ATOM 0 HA GLN A 120 -10.388 7.753 -1.341 1.00 0.00 H new ATOM 0 HB2 GLN A 120 -10.777 5.991 0.320 1.00 0.00 H new ATOM 0 HB3 GLN A 120 -9.271 6.373 1.130 1.00 0.00 H new ATOM 0 HG2 GLN A 120 -10.201 8.694 1.574 1.00 0.00 H new ATOM 0 HG3 GLN A 120 -11.737 8.132 0.944 1.00 0.00 H new ATOM 0 HE21 GLN A 120 -9.273 7.560 3.464 1.00 0.00 H new ATOM 0 HE22 GLN A 120 -10.379 6.842 4.640 1.00 0.00 H new ATOM 1869 N ALA A 121 -7.533 8.344 0.232 1.00 0.00 N ATOM 1870 CA ALA A 121 -6.595 9.400 0.592 1.00 0.00 C ATOM 1871 C ALA A 121 -6.298 10.301 -0.602 1.00 0.00 C ATOM 1872 O ALA A 121 -6.359 11.527 -0.499 1.00 0.00 O ATOM 1873 CB ALA A 121 -5.307 8.800 1.135 1.00 0.00 C ATOM 0 H ALA A 121 -7.244 7.408 0.516 1.00 0.00 H new ATOM 0 HA ALA A 121 -7.055 10.010 1.369 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -4.616 9.600 1.400 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -5.528 8.204 2.020 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -4.853 8.165 0.375 1.00 0.00 H new ATOM 1879 N LEU A 122 -5.976 9.687 -1.735 1.00 0.00 N ATOM 1880 CA LEU A 122 -5.669 10.434 -2.950 1.00 0.00 C ATOM 1881 C LEU A 122 -6.708 11.522 -3.198 1.00 0.00 C ATOM 1882 O LEU A 122 -6.389 12.711 -3.195 1.00 0.00 O ATOM 1883 CB LEU A 122 -5.607 9.489 -4.152 1.00 0.00 C ATOM 1884 CG LEU A 122 -4.494 8.440 -4.125 1.00 0.00 C ATOM 1885 CD1 LEU A 122 -4.851 7.260 -5.014 1.00 0.00 C ATOM 1886 CD2 LEU A 122 -3.171 9.056 -4.558 1.00 0.00 C ATOM 0 H LEU A 122 -5.921 8.674 -1.838 1.00 0.00 H new ATOM 0 HA LEU A 122 -4.697 10.909 -2.818 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -6.564 8.973 -4.232 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -5.492 10.089 -5.055 1.00 0.00 H new ATOM 0 HG LEU A 122 -4.386 8.078 -3.103 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -4.047 6.524 -4.982 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -5.775 6.804 -4.659 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -4.987 7.605 -6.039 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -2.390 8.296 -4.533 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -3.266 9.446 -5.572 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -2.909 9.868 -3.880 1.00 0.00 H new ATOM 1898 N MET A 123 -7.953 11.108 -3.409 1.00 0.00 N ATOM 1899 CA MET A 123 -9.040 12.048 -3.654 1.00 0.00 C ATOM 1900 C MET A 123 -9.226 12.986 -2.466 1.00 0.00 C ATOM 1901 O MET A 123 -9.631 14.137 -2.628 1.00 0.00 O ATOM 1902 CB MET A 123 -10.342 11.295 -3.933 1.00 0.00 C ATOM 1903 CG MET A 123 -10.762 10.369 -2.804 1.00 0.00 C ATOM 1904 SD MET A 123 -12.489 9.865 -2.924 1.00 0.00 S ATOM 1905 CE MET A 123 -13.135 10.498 -1.378 1.00 0.00 C ATOM 0 H MET A 123 -8.234 10.127 -3.415 1.00 0.00 H new ATOM 0 HA MET A 123 -8.780 12.645 -4.528 1.00 0.00 H new ATOM 0 HB2 MET A 123 -11.138 12.017 -4.115 1.00 0.00 H new ATOM 0 HB3 MET A 123 -10.226 10.712 -4.846 1.00 0.00 H new ATOM 0 HG2 MET A 123 -10.128 9.483 -2.811 1.00 0.00 H new ATOM 0 HG3 MET A 123 -10.599 10.869 -1.849 1.00 0.00 H new ATOM 0 HE1 MET A 123 -14.197 10.264 -1.304 1.00 0.00 H new ATOM 0 HE2 MET A 123 -12.603 10.037 -0.546 1.00 0.00 H new ATOM 0 HE3 MET A 123 -12.998 11.579 -1.342 1.00 0.00 H new ATOM 1915 N SER A 124 -8.929 12.486 -1.271 1.00 0.00 N ATOM 1916 CA SER A 124 -9.068 13.278 -0.054 1.00 0.00 C ATOM 1917 C SER A 124 -7.709 13.771 0.431 1.00 0.00 C ATOM 1918 O SER A 124 -7.408 13.725 1.623 1.00 0.00 O ATOM 1919 CB SER A 124 -9.745 12.453 1.042 1.00 0.00 C ATOM 1920 OG SER A 124 -9.993 13.241 2.194 1.00 0.00 O ATOM 0 H SER A 124 -8.590 11.536 -1.119 1.00 0.00 H new ATOM 0 HA SER A 124 -9.689 14.144 -0.282 1.00 0.00 H new ATOM 0 HB2 SER A 124 -10.684 12.046 0.667 1.00 0.00 H new ATOM 0 HB3 SER A 124 -9.113 11.605 1.307 1.00 0.00 H new ATOM 0 HG SER A 124 -9.144 13.580 2.548 1.00 0.00 H new ATOM 1926 N GLY A 125 -6.890 14.244 -0.504 1.00 0.00 N ATOM 1927 CA GLY A 125 -5.571 14.740 -0.153 1.00 0.00 C ATOM 1928 C GLY A 125 -5.629 16.036 0.631 1.00 0.00 C ATOM 1929 O GLY A 125 -5.629 16.041 1.863 1.00 0.00 O ATOM 0 H GLY A 125 -7.116 14.293 -1.497 1.00 0.00 H new ATOM 0 HA2 GLY A 125 -5.047 13.986 0.435 1.00 0.00 H new ATOM 0 HA3 GLY A 125 -4.990 14.895 -1.062 1.00 0.00 H new ATOM 1933 N PRO A 126 -5.677 17.166 -0.089 1.00 0.00 N ATOM 1934 CA PRO A 126 -5.734 18.495 0.527 1.00 0.00 C ATOM 1935 C PRO A 126 -7.071 18.759 1.213 1.00 0.00 C ATOM 1936 O PRO A 126 -7.287 19.829 1.781 1.00 0.00 O ATOM 1937 CB PRO A 126 -5.545 19.444 -0.659 1.00 0.00 C ATOM 1938 CG PRO A 126 -6.018 18.672 -1.841 1.00 0.00 C ATOM 1939 CD PRO A 126 -5.679 17.234 -1.560 1.00 0.00 C ATOM 0 HA PRO A 126 -4.985 18.614 1.309 1.00 0.00 H new ATOM 0 HB2 PRO A 126 -6.121 20.360 -0.528 1.00 0.00 H new ATOM 0 HB3 PRO A 126 -4.501 19.737 -0.769 1.00 0.00 H new ATOM 0 HG2 PRO A 126 -7.091 18.799 -1.986 1.00 0.00 H new ATOM 0 HG3 PRO A 126 -5.530 19.017 -2.753 1.00 0.00 H new ATOM 0 HD2 PRO A 126 -6.414 16.556 -1.993 1.00 0.00 H new ATOM 0 HD3 PRO A 126 -4.709 16.961 -1.976 1.00 0.00 H new ATOM 1947 N SER A 127 -7.964 17.777 1.155 1.00 0.00 N ATOM 1948 CA SER A 127 -9.281 17.905 1.768 1.00 0.00 C ATOM 1949 C SER A 127 -9.161 18.288 3.239 1.00 0.00 C ATOM 1950 O SER A 127 -8.165 17.980 3.893 1.00 0.00 O ATOM 1951 CB SER A 127 -10.060 16.594 1.633 1.00 0.00 C ATOM 1952 OG SER A 127 -11.345 16.701 2.220 1.00 0.00 O ATOM 0 H SER A 127 -7.800 16.884 0.690 1.00 0.00 H new ATOM 0 HA SER A 127 -9.821 18.696 1.247 1.00 0.00 H new ATOM 0 HB2 SER A 127 -10.159 16.333 0.579 1.00 0.00 H new ATOM 0 HB3 SER A 127 -9.505 15.787 2.111 1.00 0.00 H new ATOM 0 HG SER A 127 -11.823 15.851 2.119 1.00 0.00 H new ATOM 1958 N SER A 128 -10.184 18.964 3.754 1.00 0.00 N ATOM 1959 CA SER A 128 -10.192 19.394 5.147 1.00 0.00 C ATOM 1960 C SER A 128 -11.245 18.630 5.945 1.00 0.00 C ATOM 1961 O SER A 128 -12.003 17.835 5.392 1.00 0.00 O ATOM 1962 CB SER A 128 -10.459 20.898 5.237 1.00 0.00 C ATOM 1963 OG SER A 128 -11.799 21.199 4.889 1.00 0.00 O ATOM 0 H SER A 128 -11.017 19.225 3.227 1.00 0.00 H new ATOM 0 HA SER A 128 -9.212 19.180 5.574 1.00 0.00 H new ATOM 0 HB2 SER A 128 -10.256 21.247 6.249 1.00 0.00 H new ATOM 0 HB3 SER A 128 -9.779 21.432 4.573 1.00 0.00 H new ATOM 0 HG SER A 128 -11.945 22.166 4.956 1.00 0.00 H new ATOM 1969 N GLY A 129 -11.284 18.879 7.251 1.00 0.00 N ATOM 1970 CA GLY A 129 -12.246 18.207 8.105 1.00 0.00 C ATOM 1971 C GLY A 129 -12.508 18.965 9.391 1.00 0.00 C ATOM 1972 O GLY A 129 -13.237 19.957 9.398 1.00 0.00 O ATOM 0 H GLY A 129 -10.667 19.533 7.732 1.00 0.00 H new ATOM 0 HA2 GLY A 129 -13.183 18.082 7.563 1.00 0.00 H new ATOM 0 HA3 GLY A 129 -11.880 17.208 8.344 1.00 0.00 H new TER 1976 GLY A 129