USER MOD reduce.3.24.130724 H: found=0, std=0, add=1057, rem=0, adj=41 USER MOD reduce.3.24.130724 removed 1055 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 37 LYS NZ :NH3+ -155:sc= 1.93 (180deg=1.08) USER MOD Set 1.2: A 111 SER OG : rot 180:sc= 0.659 USER MOD Set 1.3: A 117 GLN : amide:sc= 1.77 K(o=4.4,f=-4.7!) USER MOD Set 2.1: A 13 SER OG : rot -159:sc= 1.05 USER MOD Set 2.2: A 107 THR OG1 : rot 180:sc= 0.923 USER MOD Set 3.1: A 98 SER OG : rot 92:sc= 0.617 USER MOD Set 3.2: A 104 LYS NZ :NH3+ -179:sc= 1.91 (180deg=1.21) USER MOD Set 4.1: A 102 HIS : no HE2:sc= 0.653 K(o=2,f=-3!) USER MOD Set 4.2: A 106 TYR OH : rot -8:sc= 1.36 USER MOD Set 5.1: A 77 GLN : amide:sc= -0.0814 K(o=-0.68,f=-1.5) USER MOD Set 5.2: A 79 HIS : no HD1:sc= -0.629 X(o=-0.68,f=-0.73) USER MOD Set 5.3: A 100 LYS NZ :NH3+ 178:sc= 0.0337 (180deg=0) USER MOD Set 6.1: A 65 GLN : amide:sc= 0.577 K(o=0.46,f=-0.21) USER MOD Set 6.2: A 68 MET CE :methyl 176:sc= -0.115 (180deg=-0.139) USER MOD Single : A 0 MET CE :methyl -171:sc= -0.0351 (180deg=-0.156) USER MOD Single : A 6 ASN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A -5 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 12 MET CE :methyl -174:sc= 0 (180deg=-0.0552) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.029 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc=-0.00437 X(o=-0.0044,f=-0.43) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= 0.616 K(o=0.62,f=-5.6!) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.00745 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ -120:sc= 0.0529 (180deg=0.000346) USER MOD Single : A 46 SER OG : rot 68:sc= 1.04 USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 TYR OH : rot 157:sc= 0.176 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.143 USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ -164:sc= 1.23 (180deg=0.951) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 TYR OH : rot 165:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 GLN : amide:sc= 1.56 K(o=1.6,f=-4.9!) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 CYS SG : rot 81:sc= 1.05 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A -11 MET CE :methyl -138:sc= 0 (180deg=-0.00539) USER MOD Single : A -11 MET N :NH3+ -111:sc= 0.0202 (180deg=0) USER MOD Single : A 108 MET CE :methyl -121:sc= -0.323 (180deg=-0.89) USER MOD Single : A 109 MET CE :methyl -151:sc= -0.199 (180deg=-2.31!) USER MOD Single : A 112 MET CE :methyl -171:sc= -0.0663 (180deg=-0.239) USER MOD Single : A 113 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 GLN : amide:sc= 0.224 K(o=0.22,f=-3.3!) USER MOD Single : A 118 MET CE :methyl 178:sc= 0 (180deg=-0.00752) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A -11 1.706 -1.775 22.111 1.00 0.00 N ATOM 2 CA MET A -11 2.399 -1.720 20.794 1.00 0.00 C ATOM 3 C MET A -11 1.405 -1.894 19.641 1.00 0.00 C ATOM 4 O MET A -11 0.455 -2.670 19.781 1.00 0.00 O ATOM 5 CB MET A -11 3.528 -2.767 20.679 1.00 0.00 C ATOM 6 CG MET A -11 4.708 -2.488 21.622 1.00 0.00 C ATOM 7 SD MET A -11 5.525 -0.877 21.405 1.00 0.00 S ATOM 8 CE MET A -11 6.442 -1.171 19.865 1.00 0.00 C ATOM 0 H1 MET A -11 1.726 -0.834 22.553 1.00 0.00 H new ATOM 0 H2 MET A -11 0.719 -2.071 21.972 1.00 0.00 H new ATOM 0 H3 MET A -11 2.189 -2.458 22.729 1.00 0.00 H new ATOM 0 HA MET A -11 2.855 -0.732 20.726 1.00 0.00 H new ATOM 0 HB2 MET A -11 3.122 -3.755 20.897 1.00 0.00 H new ATOM 0 HB3 MET A -11 3.890 -2.791 19.651 1.00 0.00 H new ATOM 0 HG2 MET A -11 4.353 -2.559 22.650 1.00 0.00 H new ATOM 0 HG3 MET A -11 5.452 -3.273 21.486 1.00 0.00 H new ATOM 0 HE1 MET A -11 7.441 -0.743 19.949 1.00 0.00 H new ATOM 0 HE2 MET A -11 6.520 -2.244 19.687 1.00 0.00 H new ATOM 0 HE3 MET A -11 5.916 -0.703 19.033 1.00 0.00 H new ATOM 20 N PRO A -10 1.595 -1.199 18.499 1.00 0.00 N ATOM 21 CA PRO A -10 0.753 -1.357 17.309 1.00 0.00 C ATOM 22 C PRO A -10 0.917 -2.737 16.648 1.00 0.00 C ATOM 23 O PRO A -10 1.938 -3.410 16.820 1.00 0.00 O ATOM 24 CB PRO A -10 1.171 -0.223 16.367 1.00 0.00 C ATOM 25 CG PRO A -10 2.639 0.001 16.722 1.00 0.00 C ATOM 26 CD PRO A -10 2.660 -0.238 18.232 1.00 0.00 C ATOM 0 HA PRO A -10 -0.305 -1.303 17.567 1.00 0.00 H new ATOM 0 HB2 PRO A -10 1.048 -0.502 15.321 1.00 0.00 H new ATOM 0 HB3 PRO A -10 0.576 0.676 16.529 1.00 0.00 H new ATOM 0 HG2 PRO A -10 3.294 -0.692 16.193 1.00 0.00 H new ATOM 0 HG3 PRO A -10 2.968 1.008 16.467 1.00 0.00 H new ATOM 0 HD2 PRO A -10 3.627 -0.627 18.553 1.00 0.00 H new ATOM 0 HD3 PRO A -10 2.494 0.691 18.777 1.00 0.00 H new ATOM 34 N ARG A -9 -0.094 -3.149 15.870 1.00 0.00 N ATOM 35 CA ARG A -9 -0.192 -4.464 15.200 1.00 0.00 C ATOM 36 C ARG A -9 -0.616 -4.413 13.725 1.00 0.00 C ATOM 37 O ARG A -9 -0.752 -5.465 13.102 1.00 0.00 O ATOM 38 CB ARG A -9 -1.074 -5.427 16.022 1.00 0.00 C ATOM 39 CG ARG A -9 -0.509 -5.697 17.425 1.00 0.00 C ATOM 40 CD ARG A -9 -1.182 -6.915 18.067 1.00 0.00 C ATOM 41 NE ARG A -9 -0.722 -7.125 19.454 1.00 0.00 N ATOM 42 CZ ARG A -9 0.347 -7.793 19.854 1.00 0.00 C ATOM 43 NH1 ARG A -9 1.207 -8.325 19.034 1.00 0.00 N ATOM 44 NH2 ARG A -9 0.578 -7.940 21.128 1.00 0.00 N ATOM 0 H ARG A -9 -0.901 -2.555 15.679 1.00 0.00 H new ATOM 0 HA ARG A -9 0.826 -4.852 15.167 1.00 0.00 H new ATOM 0 HB2 ARG A -9 -2.076 -5.007 16.113 1.00 0.00 H new ATOM 0 HB3 ARG A -9 -1.171 -6.371 15.486 1.00 0.00 H new ATOM 0 HG2 ARG A -9 0.566 -5.864 17.361 1.00 0.00 H new ATOM 0 HG3 ARG A -9 -0.659 -4.821 18.055 1.00 0.00 H new ATOM 0 HD2 ARG A -9 -2.264 -6.780 18.059 1.00 0.00 H new ATOM 0 HD3 ARG A -9 -0.968 -7.804 17.474 1.00 0.00 H new ATOM 0 HE ARG A -9 -1.294 -6.707 20.188 1.00 0.00 H new ATOM 0 HH11 ARG A -9 1.073 -8.237 18.027 1.00 0.00 H new ATOM 0 HH12 ARG A -9 2.015 -8.830 19.399 1.00 0.00 H new ATOM 0 HH21 ARG A -9 -0.064 -7.541 21.812 1.00 0.00 H new ATOM 0 HH22 ARG A -9 1.401 -8.454 21.441 1.00 0.00 H new ATOM 58 N PHE A -8 -0.758 -3.222 13.132 1.00 0.00 N ATOM 59 CA PHE A -8 -0.997 -3.054 11.689 1.00 0.00 C ATOM 60 C PHE A -8 -0.155 -3.922 10.739 1.00 0.00 C ATOM 61 O PHE A -8 -0.675 -4.567 9.826 1.00 0.00 O ATOM 62 CB PHE A -8 -0.984 -1.564 11.297 1.00 0.00 C ATOM 63 CG PHE A -8 -0.709 -1.333 9.819 1.00 0.00 C ATOM 64 CD1 PHE A -8 -1.742 -1.486 8.875 1.00 0.00 C ATOM 65 CD2 PHE A -8 0.610 -1.099 9.380 1.00 0.00 C ATOM 66 CE1 PHE A -8 -1.450 -1.438 7.500 1.00 0.00 C ATOM 67 CE2 PHE A -8 0.903 -1.067 8.006 1.00 0.00 C ATOM 68 CZ PHE A -8 -0.125 -1.252 7.067 1.00 0.00 C ATOM 0 H PHE A -8 -0.710 -2.340 13.641 1.00 0.00 H new ATOM 0 HA PHE A -8 -1.999 -3.456 11.538 1.00 0.00 H new ATOM 0 HB2 PHE A -8 -1.945 -1.119 11.554 1.00 0.00 H new ATOM 0 HB3 PHE A -8 -0.226 -1.047 11.886 1.00 0.00 H new ATOM 0 HD1 PHE A -8 -2.758 -1.640 9.206 1.00 0.00 H new ATOM 0 HD2 PHE A -8 1.398 -0.944 10.102 1.00 0.00 H new ATOM 0 HE1 PHE A -8 -2.244 -1.544 6.776 1.00 0.00 H new ATOM 0 HE2 PHE A -8 1.917 -0.900 7.673 1.00 0.00 H new ATOM 0 HZ PHE A -8 0.102 -1.251 6.011 1.00 0.00 H new ATOM 78 N TRP A -7 1.156 -3.974 10.990 1.00 0.00 N ATOM 79 CA TRP A -7 2.097 -4.717 10.151 1.00 0.00 C ATOM 80 C TRP A -7 1.875 -6.236 10.183 1.00 0.00 C ATOM 81 O TRP A -7 2.145 -6.901 9.190 1.00 0.00 O ATOM 82 CB TRP A -7 3.527 -4.318 10.526 1.00 0.00 C ATOM 83 CG TRP A -7 4.626 -5.000 9.768 1.00 0.00 C ATOM 84 CD1 TRP A -7 5.238 -6.149 10.143 1.00 0.00 C ATOM 85 CD2 TRP A -7 5.079 -4.749 8.398 1.00 0.00 C ATOM 86 NE1 TRP A -7 6.121 -6.553 9.159 1.00 0.00 N ATOM 87 CE2 TRP A -7 6.056 -5.733 8.054 1.00 0.00 C ATOM 88 CE3 TRP A -7 4.775 -3.781 7.413 1.00 0.00 C ATOM 89 CZ2 TRP A -7 6.718 -5.741 6.816 1.00 0.00 C ATOM 90 CZ3 TRP A -7 5.432 -3.784 6.167 1.00 0.00 C ATOM 91 CH2 TRP A -7 6.402 -4.754 5.869 1.00 0.00 C ATOM 0 H TRP A -7 1.594 -3.502 11.781 1.00 0.00 H new ATOM 0 HA TRP A -7 1.916 -4.443 9.112 1.00 0.00 H new ATOM 0 HB2 TRP A -7 3.630 -3.242 10.385 1.00 0.00 H new ATOM 0 HB3 TRP A -7 3.670 -4.515 11.588 1.00 0.00 H new ATOM 0 HD1 TRP A -7 5.062 -6.671 11.072 1.00 0.00 H new ATOM 0 HE1 TRP A -7 6.743 -7.357 9.241 1.00 0.00 H new ATOM 0 HE3 TRP A -7 4.028 -3.028 7.619 1.00 0.00 H new ATOM 0 HZ2 TRP A -7 7.459 -6.495 6.596 1.00 0.00 H new ATOM 0 HZ3 TRP A -7 5.187 -3.031 5.432 1.00 0.00 H new ATOM 0 HH2 TRP A -7 6.904 -4.741 4.913 1.00 0.00 H new ATOM 102 N GLU A -6 1.307 -6.797 11.258 1.00 0.00 N ATOM 103 CA GLU A -6 0.936 -8.223 11.311 1.00 0.00 C ATOM 104 C GLU A -6 -0.176 -8.545 10.296 1.00 0.00 C ATOM 105 O GLU A -6 -0.109 -9.551 9.586 1.00 0.00 O ATOM 106 CB GLU A -6 0.445 -8.617 12.716 1.00 0.00 C ATOM 107 CG GLU A -6 1.394 -8.243 13.867 1.00 0.00 C ATOM 108 CD GLU A -6 0.886 -8.708 15.250 1.00 0.00 C ATOM 109 OE1 GLU A -6 -0.107 -9.469 15.349 1.00 0.00 O ATOM 110 OE2 GLU A -6 1.490 -8.304 16.272 1.00 0.00 O ATOM 0 H GLU A -6 1.091 -6.282 12.112 1.00 0.00 H new ATOM 0 HA GLU A -6 1.832 -8.793 11.064 1.00 0.00 H new ATOM 0 HB2 GLU A -6 -0.520 -8.143 12.893 1.00 0.00 H new ATOM 0 HB3 GLU A -6 0.280 -9.694 12.737 1.00 0.00 H new ATOM 0 HG2 GLU A -6 2.373 -8.684 13.680 1.00 0.00 H new ATOM 0 HG3 GLU A -6 1.529 -7.161 13.881 1.00 0.00 H new ATOM 117 N TYR A -5 -1.171 -7.656 10.183 1.00 0.00 N ATOM 118 CA TYR A -5 -2.195 -7.706 9.138 1.00 0.00 C ATOM 119 C TYR A -5 -1.690 -7.527 7.706 1.00 0.00 C ATOM 120 O TYR A -5 -2.078 -8.262 6.799 1.00 0.00 O ATOM 121 CB TYR A -5 -3.365 -6.766 9.460 1.00 0.00 C ATOM 122 CG TYR A -5 -4.300 -7.304 10.519 1.00 0.00 C ATOM 123 CD1 TYR A -5 -5.268 -8.260 10.160 1.00 0.00 C ATOM 124 CD2 TYR A -5 -4.187 -6.875 11.856 1.00 0.00 C ATOM 125 CE1 TYR A -5 -6.128 -8.787 11.138 1.00 0.00 C ATOM 126 CE2 TYR A -5 -5.054 -7.397 12.837 1.00 0.00 C ATOM 127 CZ TYR A -5 -6.032 -8.353 12.478 1.00 0.00 C ATOM 128 OH TYR A -5 -6.892 -8.852 13.407 1.00 0.00 O ATOM 0 H TYR A -5 -1.287 -6.872 10.825 1.00 0.00 H new ATOM 0 HA TYR A -5 -2.555 -8.735 9.155 1.00 0.00 H new ATOM 0 HB2 TYR A -5 -2.968 -5.806 9.791 1.00 0.00 H new ATOM 0 HB3 TYR A -5 -3.932 -6.579 8.548 1.00 0.00 H new ATOM 0 HD1 TYR A -5 -5.350 -8.588 9.134 1.00 0.00 H new ATOM 0 HD2 TYR A -5 -3.437 -6.147 12.129 1.00 0.00 H new ATOM 0 HE1 TYR A -5 -6.865 -9.527 10.864 1.00 0.00 H new ATOM 0 HE2 TYR A -5 -4.971 -7.067 13.862 1.00 0.00 H new ATOM 0 HH TYR A -5 -6.696 -8.455 14.281 1.00 0.00 H new ATOM 138 N TRP A -4 -0.783 -6.567 7.517 1.00 0.00 N ATOM 139 CA TRP A -4 -0.190 -6.266 6.214 1.00 0.00 C ATOM 140 C TRP A -4 0.738 -7.395 5.742 1.00 0.00 C ATOM 141 O TRP A -4 0.660 -7.814 4.590 1.00 0.00 O ATOM 142 CB TRP A -4 0.563 -4.939 6.329 1.00 0.00 C ATOM 143 CG TRP A -4 0.917 -4.360 5.004 1.00 0.00 C ATOM 144 CD1 TRP A -4 2.030 -4.647 4.293 1.00 0.00 C ATOM 145 CD2 TRP A -4 0.025 -3.665 4.080 1.00 0.00 C ATOM 146 NE1 TRP A -4 1.929 -4.082 3.039 1.00 0.00 N ATOM 147 CE2 TRP A -4 0.703 -3.489 2.840 1.00 0.00 C ATOM 148 CE3 TRP A -4 -1.297 -3.176 4.165 1.00 0.00 C ATOM 149 CZ2 TRP A -4 0.112 -2.845 1.745 1.00 0.00 C ATOM 150 CZ3 TRP A -4 -1.906 -2.533 3.071 1.00 0.00 C ATOM 151 CH2 TRP A -4 -1.204 -2.364 1.864 1.00 0.00 C ATOM 0 H TRP A -4 -0.437 -5.972 8.270 1.00 0.00 H new ATOM 0 HA TRP A -4 -0.977 -6.182 5.464 1.00 0.00 H new ATOM 0 HB2 TRP A -4 -0.050 -4.226 6.880 1.00 0.00 H new ATOM 0 HB3 TRP A -4 1.473 -5.092 6.908 1.00 0.00 H new ATOM 0 HD1 TRP A -4 2.867 -5.228 4.651 1.00 0.00 H new ATOM 0 HE1 TRP A -4 2.674 -4.101 2.342 1.00 0.00 H new ATOM 0 HE3 TRP A -4 -1.850 -3.297 5.085 1.00 0.00 H new ATOM 0 HZ2 TRP A -4 0.659 -2.720 0.823 1.00 0.00 H new ATOM 0 HZ3 TRP A -4 -2.918 -2.167 3.159 1.00 0.00 H new ATOM 0 HH2 TRP A -4 -1.675 -1.865 1.030 1.00 0.00 H new ATOM 162 N LEU A -3 1.563 -7.962 6.629 1.00 0.00 N ATOM 163 CA LEU A -3 2.474 -9.070 6.335 1.00 0.00 C ATOM 164 C LEU A -3 1.748 -10.307 5.781 1.00 0.00 C ATOM 165 O LEU A -3 2.275 -10.986 4.898 1.00 0.00 O ATOM 166 CB LEU A -3 3.246 -9.392 7.628 1.00 0.00 C ATOM 167 CG LEU A -3 4.306 -10.498 7.504 1.00 0.00 C ATOM 168 CD1 LEU A -3 5.440 -10.047 6.586 1.00 0.00 C ATOM 169 CD2 LEU A -3 4.893 -10.805 8.882 1.00 0.00 C ATOM 0 H LEU A -3 1.616 -7.652 7.599 1.00 0.00 H new ATOM 0 HA LEU A -3 3.163 -8.772 5.545 1.00 0.00 H new ATOM 0 HB2 LEU A -3 3.734 -8.482 7.976 1.00 0.00 H new ATOM 0 HB3 LEU A -3 2.529 -9.683 8.396 1.00 0.00 H new ATOM 0 HG LEU A -3 3.830 -11.386 7.089 1.00 0.00 H new ATOM 0 HD11 LEU A -3 6.183 -10.841 6.508 1.00 0.00 H new ATOM 0 HD12 LEU A -3 5.041 -9.825 5.596 1.00 0.00 H new ATOM 0 HD13 LEU A -3 5.907 -9.152 6.997 1.00 0.00 H new ATOM 0 HD21 LEU A -3 5.644 -11.590 8.791 1.00 0.00 H new ATOM 0 HD22 LEU A -3 5.355 -9.906 9.289 1.00 0.00 H new ATOM 0 HD23 LEU A -3 4.099 -11.139 9.550 1.00 0.00 H new ATOM 181 N ARG A -2 0.516 -10.568 6.240 1.00 0.00 N ATOM 182 CA ARG A -2 -0.318 -11.704 5.812 1.00 0.00 C ATOM 183 C ARG A -2 -0.614 -11.657 4.310 1.00 0.00 C ATOM 184 O ARG A -2 -0.583 -12.694 3.647 1.00 0.00 O ATOM 185 CB ARG A -2 -1.614 -11.678 6.646 1.00 0.00 C ATOM 186 CG ARG A -2 -2.467 -12.947 6.534 1.00 0.00 C ATOM 187 CD ARG A -2 -1.858 -14.130 7.298 1.00 0.00 C ATOM 188 NE ARG A -2 -2.693 -15.334 7.137 1.00 0.00 N ATOM 189 CZ ARG A -2 -2.930 -16.298 8.006 1.00 0.00 C ATOM 190 NH1 ARG A -2 -2.452 -16.295 9.218 1.00 0.00 N ATOM 191 NH2 ARG A -2 -3.668 -17.303 7.636 1.00 0.00 N ATOM 0 H ARG A -2 0.059 -9.981 6.937 1.00 0.00 H new ATOM 0 HA ARG A -2 0.216 -12.639 5.982 1.00 0.00 H new ATOM 0 HB2 ARG A -2 -1.354 -11.521 7.693 1.00 0.00 H new ATOM 0 HB3 ARG A -2 -2.214 -10.823 6.335 1.00 0.00 H new ATOM 0 HG2 ARG A -2 -3.466 -12.745 6.919 1.00 0.00 H new ATOM 0 HG3 ARG A -2 -2.579 -13.215 5.483 1.00 0.00 H new ATOM 0 HD2 ARG A -2 -0.851 -14.327 6.931 1.00 0.00 H new ATOM 0 HD3 ARG A -2 -1.769 -13.881 8.355 1.00 0.00 H new ATOM 0 HE ARG A -2 -3.150 -15.436 6.231 1.00 0.00 H new ATOM 0 HH11 ARG A -2 -1.865 -15.523 9.533 1.00 0.00 H new ATOM 0 HH12 ARG A -2 -2.665 -17.065 9.852 1.00 0.00 H new ATOM 0 HH21 ARG A -2 -4.050 -17.334 6.691 1.00 0.00 H new ATOM 0 HH22 ARG A -2 -3.865 -18.060 8.291 1.00 0.00 H new ATOM 205 N LEU A -1 -0.833 -10.456 3.768 1.00 0.00 N ATOM 206 CA LEU A -1 -1.010 -10.201 2.335 1.00 0.00 C ATOM 207 C LEU A -1 0.255 -10.551 1.539 1.00 0.00 C ATOM 208 O LEU A -1 0.170 -11.212 0.505 1.00 0.00 O ATOM 209 CB LEU A -1 -1.330 -8.711 2.113 1.00 0.00 C ATOM 210 CG LEU A -1 -2.627 -8.188 2.748 1.00 0.00 C ATOM 211 CD1 LEU A -1 -2.633 -6.668 2.626 1.00 0.00 C ATOM 212 CD2 LEU A -1 -3.863 -8.741 2.036 1.00 0.00 C ATOM 0 H LEU A -1 -0.894 -9.608 4.331 1.00 0.00 H new ATOM 0 HA LEU A -1 -1.829 -10.830 1.985 1.00 0.00 H new ATOM 0 HB2 LEU A -1 -0.499 -8.122 2.500 1.00 0.00 H new ATOM 0 HB3 LEU A -1 -1.378 -8.528 1.039 1.00 0.00 H new ATOM 0 HG LEU A -1 -2.662 -8.508 3.789 1.00 0.00 H new ATOM 0 HD11 LEU A -1 -3.546 -6.271 3.070 1.00 0.00 H new ATOM 0 HD12 LEU A -1 -1.768 -6.258 3.147 1.00 0.00 H new ATOM 0 HD13 LEU A -1 -2.590 -6.387 1.574 1.00 0.00 H new ATOM 0 HD21 LEU A -1 -4.762 -8.350 2.512 1.00 0.00 H new ATOM 0 HD22 LEU A -1 -3.846 -8.438 0.989 1.00 0.00 H new ATOM 0 HD23 LEU A -1 -3.863 -9.829 2.099 1.00 0.00 H new ATOM 224 N MET A 0 1.425 -10.118 2.021 1.00 0.00 N ATOM 225 CA MET A 0 2.696 -10.237 1.294 1.00 0.00 C ATOM 226 C MET A 0 3.217 -11.683 1.304 1.00 0.00 C ATOM 227 O MET A 0 3.787 -12.151 0.318 1.00 0.00 O ATOM 228 CB MET A 0 3.755 -9.297 1.897 1.00 0.00 C ATOM 229 CG MET A 0 3.180 -7.973 2.415 1.00 0.00 C ATOM 230 SD MET A 0 4.312 -6.569 2.440 1.00 0.00 S ATOM 231 CE MET A 0 5.750 -7.247 3.288 1.00 0.00 C ATOM 0 H MET A 0 1.518 -9.672 2.933 1.00 0.00 H new ATOM 0 HA MET A 0 2.509 -9.949 0.260 1.00 0.00 H new ATOM 0 HB2 MET A 0 4.259 -9.810 2.717 1.00 0.00 H new ATOM 0 HB3 MET A 0 4.511 -9.084 1.142 1.00 0.00 H new ATOM 0 HG2 MET A 0 2.320 -7.709 1.800 1.00 0.00 H new ATOM 0 HG3 MET A 0 2.810 -8.133 3.428 1.00 0.00 H new ATOM 0 HE1 MET A 0 6.453 -6.444 3.510 1.00 0.00 H new ATOM 0 HE2 MET A 0 5.434 -7.720 4.218 1.00 0.00 H new ATOM 0 HE3 MET A 0 6.233 -7.987 2.650 1.00 0.00 H new ATOM 241 N GLU A 1 2.987 -12.406 2.403 1.00 0.00 N ATOM 242 CA GLU A 1 3.255 -13.844 2.536 1.00 0.00 C ATOM 243 C GLU A 1 2.246 -14.733 1.777 1.00 0.00 C ATOM 244 O GLU A 1 2.476 -15.934 1.632 1.00 0.00 O ATOM 245 CB GLU A 1 3.283 -14.221 4.030 1.00 0.00 C ATOM 246 CG GLU A 1 4.449 -13.601 4.822 1.00 0.00 C ATOM 247 CD GLU A 1 5.852 -14.129 4.443 1.00 0.00 C ATOM 248 OE1 GLU A 1 5.978 -15.114 3.676 1.00 0.00 O ATOM 249 OE2 GLU A 1 6.853 -13.561 4.941 1.00 0.00 O ATOM 0 H GLU A 1 2.597 -11.996 3.252 1.00 0.00 H new ATOM 0 HA GLU A 1 4.225 -14.032 2.076 1.00 0.00 H new ATOM 0 HB2 GLU A 1 2.344 -13.911 4.488 1.00 0.00 H new ATOM 0 HB3 GLU A 1 3.337 -15.306 4.117 1.00 0.00 H new ATOM 0 HG2 GLU A 1 4.433 -12.521 4.677 1.00 0.00 H new ATOM 0 HG3 GLU A 1 4.284 -13.783 5.884 1.00 0.00 H new ATOM 256 N GLY A 2 1.137 -14.167 1.279 1.00 0.00 N ATOM 257 CA GLY A 2 0.102 -14.898 0.535 1.00 0.00 C ATOM 258 C GLY A 2 -0.809 -15.777 1.405 1.00 0.00 C ATOM 259 O GLY A 2 -1.391 -16.740 0.903 1.00 0.00 O ATOM 0 H GLY A 2 0.931 -13.173 1.384 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -0.515 -14.180 -0.004 1.00 0.00 H new ATOM 0 HA3 GLY A 2 0.586 -15.527 -0.212 1.00 0.00 H new ATOM 263 N GLY A 3 -0.938 -15.457 2.696 1.00 0.00 N ATOM 264 CA GLY A 3 -1.577 -16.277 3.739 1.00 0.00 C ATOM 265 C GLY A 3 -3.109 -16.376 3.714 1.00 0.00 C ATOM 266 O GLY A 3 -3.712 -16.541 4.777 1.00 0.00 O ATOM 0 H GLY A 3 -0.583 -14.575 3.064 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -1.172 -17.287 3.670 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -1.280 -15.880 4.710 1.00 0.00 H new ATOM 270 N GLY A 4 -3.747 -16.250 2.548 1.00 0.00 N ATOM 271 CA GLY A 4 -5.202 -16.332 2.377 1.00 0.00 C ATOM 272 C GLY A 4 -5.596 -17.201 1.183 1.00 0.00 C ATOM 273 O GLY A 4 -5.105 -17.004 0.070 1.00 0.00 O ATOM 0 H GLY A 4 -3.253 -16.083 1.671 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -5.650 -16.739 3.284 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -5.607 -15.329 2.243 1.00 0.00 H new ATOM 277 N GLU A 5 -6.494 -18.161 1.407 1.00 0.00 N ATOM 278 CA GLU A 5 -6.995 -19.116 0.403 1.00 0.00 C ATOM 279 C GLU A 5 -7.979 -18.502 -0.615 1.00 0.00 C ATOM 280 O GLU A 5 -8.320 -19.144 -1.611 1.00 0.00 O ATOM 281 CB GLU A 5 -7.656 -20.318 1.105 1.00 0.00 C ATOM 282 CG GLU A 5 -6.720 -21.115 2.035 1.00 0.00 C ATOM 283 CD GLU A 5 -6.599 -20.575 3.481 1.00 0.00 C ATOM 284 OE1 GLU A 5 -7.141 -19.492 3.807 1.00 0.00 O ATOM 285 OE2 GLU A 5 -5.946 -21.254 4.310 1.00 0.00 O ATOM 0 H GLU A 5 -6.912 -18.305 2.326 1.00 0.00 H new ATOM 0 HA GLU A 5 -6.124 -19.435 -0.169 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -8.505 -19.960 1.687 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -8.052 -20.992 0.346 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -7.072 -22.146 2.079 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -5.726 -21.136 1.589 1.00 0.00 H new ATOM 292 N ASN A 6 -8.434 -17.265 -0.385 1.00 0.00 N ATOM 293 CA ASN A 6 -9.318 -16.504 -1.274 1.00 0.00 C ATOM 294 C ASN A 6 -8.575 -16.025 -2.540 1.00 0.00 C ATOM 295 O ASN A 6 -8.236 -14.848 -2.681 1.00 0.00 O ATOM 296 CB ASN A 6 -9.976 -15.358 -0.477 1.00 0.00 C ATOM 297 CG ASN A 6 -10.905 -15.844 0.628 1.00 0.00 C ATOM 298 OD1 ASN A 6 -11.552 -16.879 0.539 1.00 0.00 O ATOM 299 ND2 ASN A 6 -11.036 -15.090 1.696 1.00 0.00 N ATOM 0 H ASN A 6 -8.187 -16.747 0.458 1.00 0.00 H new ATOM 0 HA ASN A 6 -10.115 -17.151 -1.641 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -9.196 -14.736 -0.038 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -10.539 -14.725 -1.163 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -11.673 -15.369 2.442 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -10.501 -14.226 1.779 1.00 0.00 H new ATOM 306 N LEU A 7 -8.293 -16.971 -3.441 1.00 0.00 N ATOM 307 CA LEU A 7 -7.507 -16.783 -4.668 1.00 0.00 C ATOM 308 C LEU A 7 -7.921 -17.728 -5.823 1.00 0.00 C ATOM 309 O LEU A 7 -7.244 -17.796 -6.849 1.00 0.00 O ATOM 310 CB LEU A 7 -6.019 -16.972 -4.309 1.00 0.00 C ATOM 311 CG LEU A 7 -5.079 -16.121 -5.186 1.00 0.00 C ATOM 312 CD1 LEU A 7 -4.729 -14.813 -4.475 1.00 0.00 C ATOM 313 CD2 LEU A 7 -3.799 -16.903 -5.464 1.00 0.00 C ATOM 0 H LEU A 7 -8.620 -17.931 -3.332 1.00 0.00 H new ATOM 0 HA LEU A 7 -7.697 -15.778 -5.044 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -5.867 -16.711 -3.262 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -5.755 -18.024 -4.417 1.00 0.00 H new ATOM 0 HG LEU A 7 -5.584 -15.890 -6.124 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -4.065 -14.222 -5.106 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -5.641 -14.249 -4.281 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -4.231 -15.034 -3.531 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -3.133 -16.303 -6.084 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -3.304 -17.138 -4.522 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -4.044 -17.828 -5.985 1.00 0.00 H new ATOM 325 N TYR A 8 -9.001 -18.497 -5.649 1.00 0.00 N ATOM 326 CA TYR A 8 -9.471 -19.525 -6.592 1.00 0.00 C ATOM 327 C TYR A 8 -9.975 -19.052 -7.968 1.00 0.00 C ATOM 328 O TYR A 8 -9.895 -19.774 -8.965 1.00 0.00 O ATOM 329 CB TYR A 8 -10.455 -20.484 -5.899 1.00 0.00 C ATOM 330 CG TYR A 8 -11.453 -19.797 -4.978 1.00 0.00 C ATOM 331 CD1 TYR A 8 -12.626 -19.229 -5.515 1.00 0.00 C ATOM 332 CD2 TYR A 8 -11.189 -19.689 -3.597 1.00 0.00 C ATOM 333 CE1 TYR A 8 -13.533 -18.553 -4.675 1.00 0.00 C ATOM 334 CE2 TYR A 8 -12.091 -19.008 -2.756 1.00 0.00 C ATOM 335 CZ TYR A 8 -13.265 -18.437 -3.292 1.00 0.00 C ATOM 336 OH TYR A 8 -14.132 -17.781 -2.474 1.00 0.00 O ATOM 0 H TYR A 8 -9.593 -18.421 -4.822 1.00 0.00 H new ATOM 0 HA TYR A 8 -8.563 -20.061 -6.869 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -11.003 -21.038 -6.662 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -9.888 -21.214 -5.321 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -12.830 -19.312 -6.572 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -10.294 -20.129 -3.183 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -14.434 -18.123 -5.088 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -11.884 -18.923 -1.700 1.00 0.00 H new ATOM 0 HH TYR A 8 -13.792 -17.798 -1.555 1.00 0.00 H new ATOM 346 N PHE A 9 -10.476 -17.818 -8.010 1.00 0.00 N ATOM 347 CA PHE A 9 -10.838 -17.058 -9.210 1.00 0.00 C ATOM 348 C PHE A 9 -9.695 -16.686 -10.173 1.00 0.00 C ATOM 349 O PHE A 9 -8.543 -16.542 -9.758 1.00 0.00 O ATOM 350 CB PHE A 9 -11.748 -15.871 -8.837 1.00 0.00 C ATOM 351 CG PHE A 9 -11.413 -15.265 -7.484 1.00 0.00 C ATOM 352 CD1 PHE A 9 -10.258 -14.475 -7.325 1.00 0.00 C ATOM 353 CD2 PHE A 9 -12.181 -15.616 -6.356 1.00 0.00 C ATOM 354 CE1 PHE A 9 -9.869 -14.054 -6.041 1.00 0.00 C ATOM 355 CE2 PHE A 9 -11.787 -15.200 -5.074 1.00 0.00 C ATOM 356 CZ PHE A 9 -10.626 -14.425 -4.918 1.00 0.00 C ATOM 0 H PHE A 9 -10.651 -17.288 -7.156 1.00 0.00 H new ATOM 0 HA PHE A 9 -11.403 -17.757 -9.827 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -11.664 -15.101 -9.604 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -12.786 -16.204 -8.832 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -9.672 -14.193 -8.187 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -13.076 -16.207 -6.478 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -8.986 -13.444 -5.918 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -12.375 -15.475 -4.211 1.00 0.00 H new ATOM 0 HZ PHE A 9 -10.315 -14.114 -3.932 1.00 0.00 H new ATOM 366 N GLN A 10 -10.016 -16.501 -11.459 1.00 0.00 N ATOM 367 CA GLN A 10 -9.059 -16.179 -12.527 1.00 0.00 C ATOM 368 C GLN A 10 -9.677 -15.218 -13.559 1.00 0.00 C ATOM 369 O GLN A 10 -10.864 -15.318 -13.883 1.00 0.00 O ATOM 370 CB GLN A 10 -8.566 -17.495 -13.162 1.00 0.00 C ATOM 371 CG GLN A 10 -7.528 -17.296 -14.281 1.00 0.00 C ATOM 372 CD GLN A 10 -6.911 -18.604 -14.787 1.00 0.00 C ATOM 373 OE1 GLN A 10 -7.295 -19.712 -14.428 1.00 0.00 O ATOM 374 NE2 GLN A 10 -5.923 -18.529 -15.654 1.00 0.00 N ATOM 0 H GLN A 10 -10.976 -16.573 -11.796 1.00 0.00 H new ATOM 0 HA GLN A 10 -8.200 -15.653 -12.110 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -8.131 -18.122 -12.384 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -9.422 -18.035 -13.566 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -8.002 -16.781 -15.117 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -6.733 -16.647 -13.916 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -5.587 -17.618 -15.967 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -5.494 -19.382 -16.013 1.00 0.00 H new ATOM 383 N GLY A 11 -8.871 -14.288 -14.081 1.00 0.00 N ATOM 384 CA GLY A 11 -9.289 -13.273 -15.053 1.00 0.00 C ATOM 385 C GLY A 11 -8.216 -12.204 -15.289 1.00 0.00 C ATOM 386 O GLY A 11 -7.021 -12.461 -15.129 1.00 0.00 O ATOM 0 H GLY A 11 -7.884 -14.219 -13.833 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -9.527 -13.758 -16.000 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -10.203 -12.794 -14.702 1.00 0.00 H new ATOM 390 N MET A 12 -8.644 -10.986 -15.636 1.00 0.00 N ATOM 391 CA MET A 12 -7.774 -9.819 -15.889 1.00 0.00 C ATOM 392 C MET A 12 -7.174 -9.167 -14.619 1.00 0.00 C ATOM 393 O MET A 12 -6.594 -8.081 -14.698 1.00 0.00 O ATOM 394 CB MET A 12 -8.543 -8.794 -16.747 1.00 0.00 C ATOM 395 CG MET A 12 -9.731 -8.145 -16.018 1.00 0.00 C ATOM 396 SD MET A 12 -10.687 -6.959 -17.010 1.00 0.00 S ATOM 397 CE MET A 12 -9.493 -5.600 -17.158 1.00 0.00 C ATOM 0 H MET A 12 -9.634 -10.772 -15.754 1.00 0.00 H new ATOM 0 HA MET A 12 -6.903 -10.187 -16.430 1.00 0.00 H new ATOM 0 HB2 MET A 12 -7.854 -8.013 -17.068 1.00 0.00 H new ATOM 0 HB3 MET A 12 -8.907 -9.288 -17.648 1.00 0.00 H new ATOM 0 HG2 MET A 12 -10.402 -8.933 -15.675 1.00 0.00 H new ATOM 0 HG3 MET A 12 -9.358 -7.635 -15.130 1.00 0.00 H new ATOM 0 HE1 MET A 12 -9.968 -4.751 -17.649 1.00 0.00 H new ATOM 0 HE2 MET A 12 -9.155 -5.303 -16.165 1.00 0.00 H new ATOM 0 HE3 MET A 12 -8.638 -5.929 -17.748 1.00 0.00 H new ATOM 407 N SER A 13 -7.320 -9.794 -13.445 1.00 0.00 N ATOM 408 CA SER A 13 -6.896 -9.267 -12.138 1.00 0.00 C ATOM 409 C SER A 13 -6.508 -10.386 -11.158 1.00 0.00 C ATOM 410 O SER A 13 -6.810 -11.558 -11.400 1.00 0.00 O ATOM 411 CB SER A 13 -8.036 -8.443 -11.531 1.00 0.00 C ATOM 412 OG SER A 13 -7.525 -7.630 -10.496 1.00 0.00 O ATOM 0 H SER A 13 -7.752 -10.715 -13.375 1.00 0.00 H new ATOM 0 HA SER A 13 -6.014 -8.647 -12.303 1.00 0.00 H new ATOM 0 HB2 SER A 13 -8.502 -7.825 -12.298 1.00 0.00 H new ATOM 0 HB3 SER A 13 -8.810 -9.104 -11.141 1.00 0.00 H new ATOM 0 HG SER A 13 -8.256 -7.359 -9.902 1.00 0.00 H new ATOM 418 N VAL A 14 -5.892 -10.000 -10.031 1.00 0.00 N ATOM 419 CA VAL A 14 -5.355 -10.843 -8.941 1.00 0.00 C ATOM 420 C VAL A 14 -4.174 -11.749 -9.372 1.00 0.00 C ATOM 421 O VAL A 14 -4.307 -12.540 -10.309 1.00 0.00 O ATOM 422 CB VAL A 14 -6.467 -11.629 -8.207 1.00 0.00 C ATOM 423 CG1 VAL A 14 -5.957 -12.396 -6.981 1.00 0.00 C ATOM 424 CG2 VAL A 14 -7.616 -10.716 -7.744 1.00 0.00 C ATOM 0 H VAL A 14 -5.742 -9.010 -9.838 1.00 0.00 H new ATOM 0 HA VAL A 14 -4.928 -10.146 -8.220 1.00 0.00 H new ATOM 0 HB VAL A 14 -6.828 -12.341 -8.949 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -6.786 -12.925 -6.512 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -5.197 -13.113 -7.291 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -5.524 -11.695 -6.267 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -8.372 -11.313 -7.234 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -7.228 -9.961 -7.060 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -8.063 -10.226 -8.609 1.00 0.00 H new ATOM 434 N PRO A 15 -3.006 -11.671 -8.700 1.00 0.00 N ATOM 435 CA PRO A 15 -1.845 -12.511 -8.990 1.00 0.00 C ATOM 436 C PRO A 15 -2.029 -13.929 -8.427 1.00 0.00 C ATOM 437 O PRO A 15 -2.431 -14.097 -7.274 1.00 0.00 O ATOM 438 CB PRO A 15 -0.668 -11.790 -8.326 1.00 0.00 C ATOM 439 CG PRO A 15 -1.301 -11.141 -7.093 1.00 0.00 C ATOM 440 CD PRO A 15 -2.730 -10.828 -7.545 1.00 0.00 C ATOM 0 HA PRO A 15 -1.689 -12.642 -10.061 1.00 0.00 H new ATOM 0 HB2 PRO A 15 0.126 -12.485 -8.052 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -0.226 -11.047 -8.989 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -1.290 -11.814 -6.235 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -0.767 -10.238 -6.797 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -3.441 -11.028 -6.743 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -2.830 -9.774 -7.804 1.00 0.00 H new ATOM 448 N THR A 16 -1.680 -14.964 -9.196 1.00 0.00 N ATOM 449 CA THR A 16 -1.758 -16.384 -8.783 1.00 0.00 C ATOM 450 C THR A 16 -0.694 -16.897 -7.795 1.00 0.00 C ATOM 451 O THR A 16 -0.157 -17.998 -7.926 1.00 0.00 O ATOM 452 CB THR A 16 -2.083 -17.366 -9.924 1.00 0.00 C ATOM 453 OG1 THR A 16 -2.709 -16.726 -11.021 1.00 0.00 O ATOM 454 CG2 THR A 16 -3.020 -18.459 -9.411 1.00 0.00 C ATOM 0 H THR A 16 -1.327 -14.845 -10.145 1.00 0.00 H new ATOM 0 HA THR A 16 -2.647 -16.364 -8.152 1.00 0.00 H new ATOM 0 HB THR A 16 -1.136 -17.786 -10.263 1.00 0.00 H new ATOM 0 HG1 THR A 16 -2.895 -17.385 -11.722 1.00 0.00 H new ATOM 0 HG21 THR A 16 -3.248 -19.152 -10.221 1.00 0.00 H new ATOM 0 HG22 THR A 16 -2.538 -18.999 -8.596 1.00 0.00 H new ATOM 0 HG23 THR A 16 -3.944 -18.007 -9.050 1.00 0.00 H new ATOM 462 N ASP A 17 -0.365 -16.054 -6.816 1.00 0.00 N ATOM 463 CA ASP A 17 0.761 -16.188 -5.873 1.00 0.00 C ATOM 464 C ASP A 17 0.417 -16.396 -4.383 1.00 0.00 C ATOM 465 O ASP A 17 1.295 -16.719 -3.579 1.00 0.00 O ATOM 466 CB ASP A 17 1.744 -15.017 -6.078 1.00 0.00 C ATOM 467 CG ASP A 17 2.586 -15.078 -7.370 1.00 0.00 C ATOM 468 OD1 ASP A 17 2.697 -16.147 -8.016 1.00 0.00 O ATOM 469 OD2 ASP A 17 3.174 -14.031 -7.733 1.00 0.00 O ATOM 0 H ASP A 17 -0.906 -15.206 -6.644 1.00 0.00 H new ATOM 0 HA ASP A 17 1.226 -17.140 -6.130 1.00 0.00 H new ATOM 0 HB2 ASP A 17 1.178 -14.085 -6.077 1.00 0.00 H new ATOM 0 HB3 ASP A 17 2.421 -14.980 -5.225 1.00 0.00 H new ATOM 474 N GLY A 18 -0.855 -16.212 -4.009 1.00 0.00 N ATOM 475 CA GLY A 18 -1.380 -16.434 -2.653 1.00 0.00 C ATOM 476 C GLY A 18 -1.695 -17.904 -2.332 1.00 0.00 C ATOM 477 O GLY A 18 -1.103 -18.825 -2.901 1.00 0.00 O ATOM 0 H GLY A 18 -1.572 -15.894 -4.662 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -0.654 -16.063 -1.929 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -2.287 -15.843 -2.526 1.00 0.00 H new ATOM 481 N ALA A 19 -2.647 -18.123 -1.417 1.00 0.00 N ATOM 482 CA ALA A 19 -3.078 -19.437 -0.923 1.00 0.00 C ATOM 483 C ALA A 19 -1.923 -20.319 -0.387 1.00 0.00 C ATOM 484 O ALA A 19 -1.886 -21.531 -0.621 1.00 0.00 O ATOM 485 CB ALA A 19 -3.977 -20.108 -1.978 1.00 0.00 C ATOM 0 H ALA A 19 -3.160 -17.356 -0.982 1.00 0.00 H new ATOM 0 HA ALA A 19 -3.682 -19.291 -0.027 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -4.299 -21.084 -1.614 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -4.851 -19.483 -2.162 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -3.419 -20.233 -2.906 1.00 0.00 H new ATOM 491 N VAL A 20 -0.964 -19.710 0.324 1.00 0.00 N ATOM 492 CA VAL A 20 0.265 -20.357 0.826 1.00 0.00 C ATOM 493 C VAL A 20 0.708 -19.835 2.200 1.00 0.00 C ATOM 494 O VAL A 20 0.553 -18.653 2.501 1.00 0.00 O ATOM 495 CB VAL A 20 1.378 -20.292 -0.245 1.00 0.00 C ATOM 496 CG1 VAL A 20 1.970 -18.889 -0.426 1.00 0.00 C ATOM 497 CG2 VAL A 20 2.524 -21.265 0.059 1.00 0.00 C ATOM 0 H VAL A 20 -1.020 -18.723 0.576 1.00 0.00 H new ATOM 0 HA VAL A 20 0.039 -21.409 1.002 1.00 0.00 H new ATOM 0 HB VAL A 20 0.882 -20.578 -1.173 1.00 0.00 H new ATOM 0 HG11 VAL A 20 2.745 -18.917 -1.192 1.00 0.00 H new ATOM 0 HG12 VAL A 20 1.183 -18.199 -0.730 1.00 0.00 H new ATOM 0 HG13 VAL A 20 2.403 -18.553 0.516 1.00 0.00 H new ATOM 0 HG21 VAL A 20 3.284 -21.186 -0.718 1.00 0.00 H new ATOM 0 HG22 VAL A 20 2.965 -21.017 1.024 1.00 0.00 H new ATOM 0 HG23 VAL A 20 2.138 -22.284 0.088 1.00 0.00 H new ATOM 507 N THR A 21 1.244 -20.719 3.049 1.00 0.00 N ATOM 508 CA THR A 21 1.629 -20.429 4.451 1.00 0.00 C ATOM 509 C THR A 21 3.050 -20.825 4.879 1.00 0.00 C ATOM 510 O THR A 21 3.478 -20.505 5.992 1.00 0.00 O ATOM 511 CB THR A 21 0.567 -20.893 5.470 1.00 0.00 C ATOM 512 OG1 THR A 21 0.776 -22.253 5.797 1.00 0.00 O ATOM 513 CG2 THR A 21 -0.888 -20.756 5.006 1.00 0.00 C ATOM 0 H THR A 21 1.431 -21.685 2.780 1.00 0.00 H new ATOM 0 HA THR A 21 1.662 -19.340 4.461 1.00 0.00 H new ATOM 0 HB THR A 21 0.699 -20.227 6.323 1.00 0.00 H new ATOM 0 HG1 THR A 21 0.100 -22.541 6.445 1.00 0.00 H new ATOM 0 HG21 THR A 21 -1.555 -21.108 5.792 1.00 0.00 H new ATOM 0 HG22 THR A 21 -1.104 -19.710 4.789 1.00 0.00 H new ATOM 0 HG23 THR A 21 -1.041 -21.352 4.106 1.00 0.00 H new ATOM 521 N THR A 22 3.811 -21.486 4.000 1.00 0.00 N ATOM 522 CA THR A 22 5.184 -21.963 4.250 1.00 0.00 C ATOM 523 C THR A 22 6.222 -20.903 4.641 1.00 0.00 C ATOM 524 O THR A 22 6.309 -19.856 3.997 1.00 0.00 O ATOM 525 CB THR A 22 5.712 -22.864 3.113 1.00 0.00 C ATOM 526 OG1 THR A 22 4.650 -23.498 2.422 1.00 0.00 O ATOM 527 CG2 THR A 22 6.662 -23.954 3.614 1.00 0.00 C ATOM 0 H THR A 22 3.481 -21.713 3.062 1.00 0.00 H new ATOM 0 HA THR A 22 5.062 -22.561 5.153 1.00 0.00 H new ATOM 0 HB THR A 22 6.257 -22.197 2.446 1.00 0.00 H new ATOM 0 HG1 THR A 22 5.015 -24.060 1.707 1.00 0.00 H new ATOM 0 HG21 THR A 22 7.001 -24.556 2.771 1.00 0.00 H new ATOM 0 HG22 THR A 22 7.522 -23.492 4.100 1.00 0.00 H new ATOM 0 HG23 THR A 22 6.141 -24.591 4.329 1.00 0.00 H new ATOM 535 N SER A 23 7.035 -21.174 5.670 1.00 0.00 N ATOM 536 CA SER A 23 8.064 -20.244 6.175 1.00 0.00 C ATOM 537 C SER A 23 9.284 -20.094 5.248 1.00 0.00 C ATOM 538 O SER A 23 9.960 -19.064 5.275 1.00 0.00 O ATOM 539 CB SER A 23 8.556 -20.713 7.551 1.00 0.00 C ATOM 540 OG SER A 23 7.482 -20.750 8.480 1.00 0.00 O ATOM 0 H SER A 23 7.000 -22.054 6.184 1.00 0.00 H new ATOM 0 HA SER A 23 7.580 -19.269 6.230 1.00 0.00 H new ATOM 0 HB2 SER A 23 9.004 -21.703 7.465 1.00 0.00 H new ATOM 0 HB3 SER A 23 9.334 -20.041 7.913 1.00 0.00 H new ATOM 0 HG SER A 23 7.813 -21.053 9.351 1.00 0.00 H new ATOM 546 N GLN A 24 9.579 -21.116 4.436 1.00 0.00 N ATOM 547 CA GLN A 24 10.686 -21.125 3.468 1.00 0.00 C ATOM 548 C GLN A 24 10.383 -20.299 2.203 1.00 0.00 C ATOM 549 O GLN A 24 9.224 -20.133 1.814 1.00 0.00 O ATOM 550 CB GLN A 24 11.041 -22.577 3.093 1.00 0.00 C ATOM 551 CG GLN A 24 11.555 -23.426 4.274 1.00 0.00 C ATOM 552 CD GLN A 24 12.872 -22.938 4.886 1.00 0.00 C ATOM 553 OE1 GLN A 24 13.625 -22.156 4.319 1.00 0.00 O ATOM 554 NE2 GLN A 24 13.212 -23.391 6.075 1.00 0.00 N ATOM 0 H GLN A 24 9.041 -21.983 4.433 1.00 0.00 H new ATOM 0 HA GLN A 24 11.540 -20.650 3.950 1.00 0.00 H new ATOM 0 HB2 GLN A 24 10.158 -23.058 2.671 1.00 0.00 H new ATOM 0 HB3 GLN A 24 11.801 -22.563 2.312 1.00 0.00 H new ATOM 0 HG2 GLN A 24 10.792 -23.442 5.052 1.00 0.00 H new ATOM 0 HG3 GLN A 24 11.686 -24.454 3.935 1.00 0.00 H new ATOM 0 HE21 GLN A 24 12.601 -24.043 6.566 1.00 0.00 H new ATOM 0 HE22 GLN A 24 14.087 -23.090 6.505 1.00 0.00 H new ATOM 563 N ILE A 25 11.440 -19.826 1.535 1.00 0.00 N ATOM 564 CA ILE A 25 11.396 -19.034 0.290 1.00 0.00 C ATOM 565 C ILE A 25 12.513 -19.458 -0.688 1.00 0.00 C ATOM 566 O ILE A 25 13.562 -19.936 -0.240 1.00 0.00 O ATOM 567 CB ILE A 25 11.438 -17.501 0.557 1.00 0.00 C ATOM 568 CG1 ILE A 25 12.133 -17.031 1.857 1.00 0.00 C ATOM 569 CG2 ILE A 25 10.000 -16.956 0.581 1.00 0.00 C ATOM 570 CD1 ILE A 25 13.632 -17.355 1.913 1.00 0.00 C ATOM 0 H ILE A 25 12.394 -19.989 1.857 1.00 0.00 H new ATOM 0 HA ILE A 25 10.436 -19.248 -0.179 1.00 0.00 H new ATOM 0 HB ILE A 25 12.049 -17.112 -0.258 1.00 0.00 H new ATOM 0 HG12 ILE A 25 12.000 -15.954 1.959 1.00 0.00 H new ATOM 0 HG13 ILE A 25 11.639 -17.496 2.710 1.00 0.00 H new ATOM 0 HG21 ILE A 25 10.021 -15.882 0.768 1.00 0.00 H new ATOM 0 HG22 ILE A 25 9.522 -17.148 -0.380 1.00 0.00 H new ATOM 0 HG23 ILE A 25 9.437 -17.451 1.372 1.00 0.00 H new ATOM 0 HD11 ILE A 25 14.047 -16.994 2.854 1.00 0.00 H new ATOM 0 HD12 ILE A 25 13.774 -18.433 1.843 1.00 0.00 H new ATOM 0 HD13 ILE A 25 14.141 -16.868 1.081 1.00 0.00 H new ATOM 582 N PRO A 26 12.324 -19.317 -2.017 1.00 0.00 N ATOM 583 CA PRO A 26 13.299 -19.766 -3.013 1.00 0.00 C ATOM 584 C PRO A 26 14.562 -18.890 -3.029 1.00 0.00 C ATOM 585 O PRO A 26 14.494 -17.670 -3.198 1.00 0.00 O ATOM 586 CB PRO A 26 12.555 -19.730 -4.354 1.00 0.00 C ATOM 587 CG PRO A 26 11.511 -18.631 -4.154 1.00 0.00 C ATOM 588 CD PRO A 26 11.143 -18.775 -2.677 1.00 0.00 C ATOM 0 HA PRO A 26 13.665 -20.767 -2.786 1.00 0.00 H new ATOM 0 HB2 PRO A 26 13.228 -19.499 -5.180 1.00 0.00 H new ATOM 0 HB3 PRO A 26 12.090 -20.689 -4.581 1.00 0.00 H new ATOM 0 HG2 PRO A 26 11.916 -17.644 -4.375 1.00 0.00 H new ATOM 0 HG3 PRO A 26 10.646 -18.773 -4.802 1.00 0.00 H new ATOM 0 HD2 PRO A 26 10.865 -17.812 -2.249 1.00 0.00 H new ATOM 0 HD3 PRO A 26 10.287 -19.439 -2.551 1.00 0.00 H new ATOM 596 N ALA A 27 15.736 -19.522 -2.921 1.00 0.00 N ATOM 597 CA ALA A 27 17.038 -18.846 -2.993 1.00 0.00 C ATOM 598 C ALA A 27 17.352 -18.267 -4.393 1.00 0.00 C ATOM 599 O ALA A 27 18.159 -17.343 -4.518 1.00 0.00 O ATOM 600 CB ALA A 27 18.112 -19.848 -2.552 1.00 0.00 C ATOM 0 H ALA A 27 15.811 -20.529 -2.779 1.00 0.00 H new ATOM 0 HA ALA A 27 17.018 -17.982 -2.329 1.00 0.00 H new ATOM 0 HB1 ALA A 27 19.092 -19.373 -2.595 1.00 0.00 H new ATOM 0 HB2 ALA A 27 17.910 -20.172 -1.531 1.00 0.00 H new ATOM 0 HB3 ALA A 27 18.098 -20.712 -3.216 1.00 0.00 H new ATOM 606 N SER A 28 16.702 -18.786 -5.442 1.00 0.00 N ATOM 607 CA SER A 28 16.853 -18.345 -6.839 1.00 0.00 C ATOM 608 C SER A 28 16.230 -16.973 -7.153 1.00 0.00 C ATOM 609 O SER A 28 16.514 -16.415 -8.214 1.00 0.00 O ATOM 610 CB SER A 28 16.264 -19.405 -7.779 1.00 0.00 C ATOM 611 OG SER A 28 17.005 -20.614 -7.682 1.00 0.00 O ATOM 0 H SER A 28 16.034 -19.550 -5.341 1.00 0.00 H new ATOM 0 HA SER A 28 17.925 -18.226 -6.998 1.00 0.00 H new ATOM 0 HB2 SER A 28 15.220 -19.588 -7.524 1.00 0.00 H new ATOM 0 HB3 SER A 28 16.282 -19.041 -8.806 1.00 0.00 H new ATOM 0 HG SER A 28 16.619 -21.283 -8.285 1.00 0.00 H new ATOM 617 N GLU A 29 15.406 -16.418 -6.250 1.00 0.00 N ATOM 618 CA GLU A 29 14.815 -15.061 -6.300 1.00 0.00 C ATOM 619 C GLU A 29 14.167 -14.671 -7.654 1.00 0.00 C ATOM 620 O GLU A 29 14.239 -13.522 -8.103 1.00 0.00 O ATOM 621 CB GLU A 29 15.777 -14.003 -5.714 1.00 0.00 C ATOM 622 CG GLU A 29 17.112 -13.820 -6.460 1.00 0.00 C ATOM 623 CD GLU A 29 17.988 -12.675 -5.907 1.00 0.00 C ATOM 624 OE1 GLU A 29 17.589 -11.955 -4.957 1.00 0.00 O ATOM 625 OE2 GLU A 29 19.114 -12.483 -6.431 1.00 0.00 O ATOM 0 H GLU A 29 15.115 -16.929 -5.416 1.00 0.00 H new ATOM 0 HA GLU A 29 13.948 -15.089 -5.640 1.00 0.00 H new ATOM 0 HB2 GLU A 29 15.261 -13.043 -5.692 1.00 0.00 H new ATOM 0 HB3 GLU A 29 15.995 -14.271 -4.680 1.00 0.00 H new ATOM 0 HG2 GLU A 29 17.675 -14.752 -6.410 1.00 0.00 H new ATOM 0 HG3 GLU A 29 16.905 -13.629 -7.513 1.00 0.00 H new ATOM 632 N GLN A 30 13.553 -15.646 -8.332 1.00 0.00 N ATOM 633 CA GLN A 30 13.062 -15.553 -9.714 1.00 0.00 C ATOM 634 C GLN A 30 11.766 -14.729 -9.904 1.00 0.00 C ATOM 635 O GLN A 30 11.328 -14.536 -11.040 1.00 0.00 O ATOM 636 CB GLN A 30 12.916 -16.977 -10.293 1.00 0.00 C ATOM 637 CG GLN A 30 11.746 -17.826 -9.748 1.00 0.00 C ATOM 638 CD GLN A 30 11.973 -18.487 -8.386 1.00 0.00 C ATOM 639 OE1 GLN A 30 13.010 -18.374 -7.746 1.00 0.00 O ATOM 640 NE2 GLN A 30 11.002 -19.223 -7.887 1.00 0.00 N ATOM 0 H GLN A 30 13.376 -16.561 -7.917 1.00 0.00 H new ATOM 0 HA GLN A 30 13.810 -14.986 -10.268 1.00 0.00 H new ATOM 0 HB2 GLN A 30 12.804 -16.896 -11.374 1.00 0.00 H new ATOM 0 HB3 GLN A 30 13.845 -17.517 -10.108 1.00 0.00 H new ATOM 0 HG2 GLN A 30 10.864 -17.190 -9.678 1.00 0.00 H new ATOM 0 HG3 GLN A 30 11.520 -18.606 -10.475 1.00 0.00 H new ATOM 0 HE21 GLN A 30 10.128 -19.332 -8.402 1.00 0.00 H new ATOM 0 HE22 GLN A 30 11.123 -19.684 -6.985 1.00 0.00 H new ATOM 649 N GLU A 31 11.128 -14.267 -8.824 1.00 0.00 N ATOM 650 CA GLU A 31 9.844 -13.548 -8.842 1.00 0.00 C ATOM 651 C GLU A 31 9.815 -12.296 -9.752 1.00 0.00 C ATOM 652 O GLU A 31 10.737 -11.474 -9.764 1.00 0.00 O ATOM 653 CB GLU A 31 9.365 -13.226 -7.412 1.00 0.00 C ATOM 654 CG GLU A 31 10.377 -12.513 -6.490 1.00 0.00 C ATOM 655 CD GLU A 31 11.386 -13.435 -5.770 1.00 0.00 C ATOM 656 OE1 GLU A 31 11.413 -14.664 -6.020 1.00 0.00 O ATOM 657 OE2 GLU A 31 12.175 -12.919 -4.944 1.00 0.00 O ATOM 0 H GLU A 31 11.500 -14.385 -7.882 1.00 0.00 H new ATOM 0 HA GLU A 31 9.136 -14.238 -9.301 1.00 0.00 H new ATOM 0 HB2 GLU A 31 8.472 -12.605 -7.483 1.00 0.00 H new ATOM 0 HB3 GLU A 31 9.067 -14.159 -6.934 1.00 0.00 H new ATOM 0 HG2 GLU A 31 10.934 -11.788 -7.083 1.00 0.00 H new ATOM 0 HG3 GLU A 31 9.823 -11.952 -5.737 1.00 0.00 H new ATOM 664 N THR A 32 8.737 -12.164 -10.532 1.00 0.00 N ATOM 665 CA THR A 32 8.576 -11.183 -11.622 1.00 0.00 C ATOM 666 C THR A 32 8.374 -9.713 -11.236 1.00 0.00 C ATOM 667 O THR A 32 7.665 -9.408 -10.274 1.00 0.00 O ATOM 668 CB THR A 32 7.518 -11.628 -12.658 1.00 0.00 C ATOM 669 OG1 THR A 32 7.335 -13.034 -12.651 1.00 0.00 O ATOM 670 CG2 THR A 32 7.872 -11.222 -14.091 1.00 0.00 C ATOM 0 H THR A 32 7.917 -12.760 -10.420 1.00 0.00 H new ATOM 0 HA THR A 32 9.569 -11.191 -12.072 1.00 0.00 H new ATOM 0 HB THR A 32 6.604 -11.118 -12.354 1.00 0.00 H new ATOM 0 HG1 THR A 32 6.659 -13.279 -13.316 1.00 0.00 H new ATOM 0 HG21 THR A 32 7.090 -11.563 -14.770 1.00 0.00 H new ATOM 0 HG22 THR A 32 7.957 -10.137 -14.151 1.00 0.00 H new ATOM 0 HG23 THR A 32 8.822 -11.676 -14.374 1.00 0.00 H new ATOM 678 N LEU A 33 8.947 -8.790 -12.018 1.00 0.00 N ATOM 679 CA LEU A 33 8.678 -7.348 -11.928 1.00 0.00 C ATOM 680 C LEU A 33 7.290 -6.993 -12.502 1.00 0.00 C ATOM 681 O LEU A 33 6.815 -7.629 -13.445 1.00 0.00 O ATOM 682 CB LEU A 33 9.785 -6.553 -12.649 1.00 0.00 C ATOM 683 CG LEU A 33 11.216 -6.787 -12.124 1.00 0.00 C ATOM 684 CD1 LEU A 33 12.218 -6.081 -13.038 1.00 0.00 C ATOM 685 CD2 LEU A 33 11.405 -6.256 -10.703 1.00 0.00 C ATOM 0 H LEU A 33 9.623 -9.028 -12.744 1.00 0.00 H new ATOM 0 HA LEU A 33 8.676 -7.072 -10.873 1.00 0.00 H new ATOM 0 HB2 LEU A 33 9.759 -6.806 -13.709 1.00 0.00 H new ATOM 0 HB3 LEU A 33 9.556 -5.490 -12.569 1.00 0.00 H new ATOM 0 HG LEU A 33 11.383 -7.864 -12.114 1.00 0.00 H new ATOM 0 HD11 LEU A 33 13.229 -6.247 -12.666 1.00 0.00 H new ATOM 0 HD12 LEU A 33 12.133 -6.480 -14.049 1.00 0.00 H new ATOM 0 HD13 LEU A 33 12.007 -5.012 -13.052 1.00 0.00 H new ATOM 0 HD21 LEU A 33 12.428 -6.444 -10.377 1.00 0.00 H new ATOM 0 HD22 LEU A 33 11.210 -5.184 -10.686 1.00 0.00 H new ATOM 0 HD23 LEU A 33 10.712 -6.761 -10.031 1.00 0.00 H new ATOM 697 N VAL A 34 6.652 -5.955 -11.948 1.00 0.00 N ATOM 698 CA VAL A 34 5.267 -5.531 -12.269 1.00 0.00 C ATOM 699 C VAL A 34 5.142 -4.297 -13.161 1.00 0.00 C ATOM 700 O VAL A 34 4.094 -4.068 -13.763 1.00 0.00 O ATOM 701 CB VAL A 34 4.402 -5.368 -11.001 1.00 0.00 C ATOM 702 CG1 VAL A 34 4.663 -6.467 -9.974 1.00 0.00 C ATOM 703 CG2 VAL A 34 4.598 -4.030 -10.273 1.00 0.00 C ATOM 0 H VAL A 34 7.091 -5.364 -11.242 1.00 0.00 H new ATOM 0 HA VAL A 34 4.883 -6.358 -12.867 1.00 0.00 H new ATOM 0 HB VAL A 34 3.384 -5.422 -11.387 1.00 0.00 H new ATOM 0 HG11 VAL A 34 4.030 -6.307 -9.101 1.00 0.00 H new ATOM 0 HG12 VAL A 34 4.435 -7.438 -10.414 1.00 0.00 H new ATOM 0 HG13 VAL A 34 5.710 -6.442 -9.672 1.00 0.00 H new ATOM 0 HG21 VAL A 34 3.954 -3.996 -9.394 1.00 0.00 H new ATOM 0 HG22 VAL A 34 5.639 -3.933 -9.964 1.00 0.00 H new ATOM 0 HG23 VAL A 34 4.340 -3.210 -10.943 1.00 0.00 H new ATOM 713 N ARG A 35 6.209 -3.493 -13.207 1.00 0.00 N ATOM 714 CA ARG A 35 6.284 -2.150 -13.814 1.00 0.00 C ATOM 715 C ARG A 35 5.164 -1.196 -13.327 1.00 0.00 C ATOM 716 O ARG A 35 4.237 -0.895 -14.083 1.00 0.00 O ATOM 717 CB ARG A 35 6.379 -2.249 -15.353 1.00 0.00 C ATOM 718 CG ARG A 35 7.609 -3.040 -15.834 1.00 0.00 C ATOM 719 CD ARG A 35 7.742 -3.046 -17.363 1.00 0.00 C ATOM 720 NE ARG A 35 6.642 -3.790 -18.015 1.00 0.00 N ATOM 721 CZ ARG A 35 5.673 -3.305 -18.773 1.00 0.00 C ATOM 722 NH1 ARG A 35 5.530 -2.029 -19.001 1.00 0.00 N ATOM 723 NH2 ARG A 35 4.810 -4.108 -19.325 1.00 0.00 N ATOM 0 H ARG A 35 7.100 -3.775 -12.798 1.00 0.00 H new ATOM 0 HA ARG A 35 7.206 -1.686 -13.464 1.00 0.00 H new ATOM 0 HB2 ARG A 35 5.476 -2.724 -15.737 1.00 0.00 H new ATOM 0 HB3 ARG A 35 6.414 -1.244 -15.774 1.00 0.00 H new ATOM 0 HG2 ARG A 35 8.509 -2.608 -15.396 1.00 0.00 H new ATOM 0 HG3 ARG A 35 7.540 -4.067 -15.474 1.00 0.00 H new ATOM 0 HD2 ARG A 35 7.752 -2.020 -17.730 1.00 0.00 H new ATOM 0 HD3 ARG A 35 8.696 -3.493 -17.642 1.00 0.00 H new ATOM 0 HE ARG A 35 6.629 -4.798 -17.861 1.00 0.00 H new ATOM 0 HH11 ARG A 35 6.181 -1.361 -18.588 1.00 0.00 H new ATOM 0 HH12 ARG A 35 4.767 -1.699 -19.593 1.00 0.00 H new ATOM 0 HH21 ARG A 35 4.880 -5.114 -19.173 1.00 0.00 H new ATOM 0 HH22 ARG A 35 4.064 -3.731 -19.909 1.00 0.00 H new ATOM 737 N PRO A 36 5.208 -0.747 -12.053 1.00 0.00 N ATOM 738 CA PRO A 36 4.133 0.040 -11.445 1.00 0.00 C ATOM 739 C PRO A 36 4.031 1.480 -11.984 1.00 0.00 C ATOM 740 O PRO A 36 4.966 2.000 -12.598 1.00 0.00 O ATOM 741 CB PRO A 36 4.404 0.008 -9.940 1.00 0.00 C ATOM 742 CG PRO A 36 5.890 -0.298 -9.790 1.00 0.00 C ATOM 743 CD PRO A 36 6.297 -0.961 -11.105 1.00 0.00 C ATOM 0 HA PRO A 36 3.164 -0.391 -11.696 1.00 0.00 H new ATOM 0 HB2 PRO A 36 4.153 0.963 -9.477 1.00 0.00 H new ATOM 0 HB3 PRO A 36 3.797 -0.753 -9.450 1.00 0.00 H new ATOM 0 HG2 PRO A 36 6.464 0.612 -9.614 1.00 0.00 H new ATOM 0 HG3 PRO A 36 6.072 -0.959 -8.943 1.00 0.00 H new ATOM 0 HD2 PRO A 36 7.225 -0.530 -11.482 1.00 0.00 H new ATOM 0 HD3 PRO A 36 6.476 -2.026 -10.959 1.00 0.00 H new ATOM 751 N LYS A 37 2.889 2.138 -11.726 1.00 0.00 N ATOM 752 CA LYS A 37 2.633 3.550 -12.085 1.00 0.00 C ATOM 753 C LYS A 37 3.662 4.514 -11.461 1.00 0.00 C ATOM 754 O LYS A 37 4.108 4.267 -10.337 1.00 0.00 O ATOM 755 CB LYS A 37 1.203 3.966 -11.672 1.00 0.00 C ATOM 756 CG LYS A 37 0.111 3.235 -12.475 1.00 0.00 C ATOM 757 CD LYS A 37 -1.318 3.755 -12.231 1.00 0.00 C ATOM 758 CE LYS A 37 -1.711 3.892 -10.749 1.00 0.00 C ATOM 759 NZ LYS A 37 -3.175 3.722 -10.565 1.00 0.00 N ATOM 0 H LYS A 37 2.100 1.698 -11.253 1.00 0.00 H new ATOM 0 HA LYS A 37 2.733 3.621 -13.168 1.00 0.00 H new ATOM 0 HB2 LYS A 37 1.063 3.763 -10.610 1.00 0.00 H new ATOM 0 HB3 LYS A 37 1.089 5.041 -11.809 1.00 0.00 H new ATOM 0 HG2 LYS A 37 0.339 3.322 -13.537 1.00 0.00 H new ATOM 0 HG3 LYS A 37 0.145 2.174 -12.228 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -1.422 4.728 -12.711 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -2.023 3.081 -12.718 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -1.178 3.147 -10.158 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -1.406 4.870 -10.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -3.476 4.214 -9.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -3.677 4.123 -11.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -3.399 2.710 -10.484 1.00 0.00 H new ATOM 773 N PRO A 38 3.977 5.661 -12.101 1.00 0.00 N ATOM 774 CA PRO A 38 4.849 6.684 -11.511 1.00 0.00 C ATOM 775 C PRO A 38 4.275 7.272 -10.208 1.00 0.00 C ATOM 776 O PRO A 38 5.029 7.595 -9.289 1.00 0.00 O ATOM 777 CB PRO A 38 5.018 7.750 -12.602 1.00 0.00 C ATOM 778 CG PRO A 38 3.767 7.598 -13.465 1.00 0.00 C ATOM 779 CD PRO A 38 3.498 6.097 -13.407 1.00 0.00 C ATOM 0 HA PRO A 38 5.807 6.259 -11.212 1.00 0.00 H new ATOM 0 HB2 PRO A 38 5.089 8.750 -12.175 1.00 0.00 H new ATOM 0 HB3 PRO A 38 5.926 7.586 -13.183 1.00 0.00 H new ATOM 0 HG2 PRO A 38 2.930 8.175 -13.070 1.00 0.00 H new ATOM 0 HG3 PRO A 38 3.936 7.940 -14.486 1.00 0.00 H new ATOM 0 HD2 PRO A 38 2.435 5.885 -13.525 1.00 0.00 H new ATOM 0 HD3 PRO A 38 4.019 5.575 -14.210 1.00 0.00 H new ATOM 787 N LEU A 39 2.942 7.341 -10.090 1.00 0.00 N ATOM 788 CA LEU A 39 2.232 7.751 -8.873 1.00 0.00 C ATOM 789 C LEU A 39 2.511 6.810 -7.682 1.00 0.00 C ATOM 790 O LEU A 39 2.724 7.276 -6.563 1.00 0.00 O ATOM 791 CB LEU A 39 0.729 7.832 -9.215 1.00 0.00 C ATOM 792 CG LEU A 39 -0.188 8.246 -8.049 1.00 0.00 C ATOM 793 CD1 LEU A 39 0.077 9.681 -7.593 1.00 0.00 C ATOM 794 CD2 LEU A 39 -1.653 8.143 -8.475 1.00 0.00 C ATOM 0 H LEU A 39 2.313 7.107 -10.858 1.00 0.00 H new ATOM 0 HA LEU A 39 2.592 8.727 -8.547 1.00 0.00 H new ATOM 0 HB2 LEU A 39 0.596 8.543 -10.031 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.404 6.859 -9.584 1.00 0.00 H new ATOM 0 HG LEU A 39 0.025 7.570 -7.221 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.592 9.930 -6.769 1.00 0.00 H new ATOM 0 HD12 LEU A 39 1.111 9.772 -7.261 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.099 10.365 -8.423 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.295 8.437 -7.645 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -1.832 8.803 -9.324 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -1.878 7.115 -8.760 1.00 0.00 H new ATOM 806 N LEU A 40 2.561 5.494 -7.929 1.00 0.00 N ATOM 807 CA LEU A 40 2.949 4.491 -6.935 1.00 0.00 C ATOM 808 C LEU A 40 4.443 4.570 -6.621 1.00 0.00 C ATOM 809 O LEU A 40 4.819 4.639 -5.456 1.00 0.00 O ATOM 810 CB LEU A 40 2.544 3.092 -7.440 1.00 0.00 C ATOM 811 CG LEU A 40 2.965 1.934 -6.514 1.00 0.00 C ATOM 812 CD1 LEU A 40 2.381 2.079 -5.107 1.00 0.00 C ATOM 813 CD2 LEU A 40 2.510 0.598 -7.103 1.00 0.00 C ATOM 0 H LEU A 40 2.329 5.093 -8.838 1.00 0.00 H new ATOM 0 HA LEU A 40 2.424 4.690 -6.001 1.00 0.00 H new ATOM 0 HB2 LEU A 40 1.462 3.064 -7.567 1.00 0.00 H new ATOM 0 HB3 LEU A 40 2.985 2.933 -8.424 1.00 0.00 H new ATOM 0 HG LEU A 40 4.052 1.965 -6.438 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.705 1.240 -4.490 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.729 3.012 -4.663 1.00 0.00 H new ATOM 0 HD13 LEU A 40 1.293 2.088 -5.164 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.813 -0.213 -6.441 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.425 0.597 -7.206 1.00 0.00 H new ATOM 0 HD23 LEU A 40 2.968 0.457 -8.082 1.00 0.00 H new ATOM 825 N LEU A 41 5.292 4.619 -7.649 1.00 0.00 N ATOM 826 CA LEU A 41 6.748 4.726 -7.507 1.00 0.00 C ATOM 827 C LEU A 41 7.159 5.922 -6.628 1.00 0.00 C ATOM 828 O LEU A 41 8.027 5.775 -5.770 1.00 0.00 O ATOM 829 CB LEU A 41 7.352 4.776 -8.920 1.00 0.00 C ATOM 830 CG LEU A 41 8.863 5.056 -8.991 1.00 0.00 C ATOM 831 CD1 LEU A 41 9.706 4.026 -8.240 1.00 0.00 C ATOM 832 CD2 LEU A 41 9.311 5.058 -10.453 1.00 0.00 C ATOM 0 H LEU A 41 4.983 4.585 -8.621 1.00 0.00 H new ATOM 0 HA LEU A 41 7.141 3.856 -6.981 1.00 0.00 H new ATOM 0 HB2 LEU A 41 7.154 3.824 -9.413 1.00 0.00 H new ATOM 0 HB3 LEU A 41 6.832 5.545 -9.490 1.00 0.00 H new ATOM 0 HG LEU A 41 9.019 6.025 -8.517 1.00 0.00 H new ATOM 0 HD11 LEU A 41 10.761 4.284 -8.331 1.00 0.00 H new ATOM 0 HD12 LEU A 41 9.423 4.022 -7.187 1.00 0.00 H new ATOM 0 HD13 LEU A 41 9.536 3.037 -8.665 1.00 0.00 H new ATOM 0 HD21 LEU A 41 10.382 5.256 -10.505 1.00 0.00 H new ATOM 0 HD22 LEU A 41 9.100 4.086 -10.900 1.00 0.00 H new ATOM 0 HD23 LEU A 41 8.772 5.833 -10.998 1.00 0.00 H new ATOM 844 N LYS A 42 6.483 7.070 -6.755 1.00 0.00 N ATOM 845 CA LYS A 42 6.662 8.239 -5.875 1.00 0.00 C ATOM 846 C LYS A 42 6.405 7.920 -4.393 1.00 0.00 C ATOM 847 O LYS A 42 7.175 8.353 -3.536 1.00 0.00 O ATOM 848 CB LYS A 42 5.746 9.367 -6.382 1.00 0.00 C ATOM 849 CG LYS A 42 5.856 10.658 -5.551 1.00 0.00 C ATOM 850 CD LYS A 42 5.056 11.820 -6.157 1.00 0.00 C ATOM 851 CE LYS A 42 3.541 11.572 -6.119 1.00 0.00 C ATOM 852 NZ LYS A 42 2.787 12.738 -6.655 1.00 0.00 N ATOM 0 H LYS A 42 5.784 7.219 -7.483 1.00 0.00 H new ATOM 0 HA LYS A 42 7.704 8.555 -5.919 1.00 0.00 H new ATOM 0 HB2 LYS A 42 5.994 9.589 -7.420 1.00 0.00 H new ATOM 0 HB3 LYS A 42 4.713 9.021 -6.368 1.00 0.00 H new ATOM 0 HG2 LYS A 42 5.500 10.466 -4.539 1.00 0.00 H new ATOM 0 HG3 LYS A 42 6.904 10.946 -5.471 1.00 0.00 H new ATOM 0 HD2 LYS A 42 5.285 12.737 -5.614 1.00 0.00 H new ATOM 0 HD3 LYS A 42 5.370 11.974 -7.189 1.00 0.00 H new ATOM 0 HE2 LYS A 42 3.302 10.683 -6.702 1.00 0.00 H new ATOM 0 HE3 LYS A 42 3.229 11.375 -5.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 1.767 12.539 -6.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 2.998 13.581 -6.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 3.069 12.910 -7.641 1.00 0.00 H new ATOM 866 N LEU A 43 5.373 7.132 -4.080 1.00 0.00 N ATOM 867 CA LEU A 43 5.083 6.657 -2.719 1.00 0.00 C ATOM 868 C LEU A 43 6.189 5.723 -2.194 1.00 0.00 C ATOM 869 O LEU A 43 6.646 5.898 -1.064 1.00 0.00 O ATOM 870 CB LEU A 43 3.672 6.028 -2.693 1.00 0.00 C ATOM 871 CG LEU A 43 3.181 5.545 -1.313 1.00 0.00 C ATOM 872 CD1 LEU A 43 1.650 5.498 -1.309 1.00 0.00 C ATOM 873 CD2 LEU A 43 3.667 4.135 -0.959 1.00 0.00 C ATOM 0 H LEU A 43 4.703 6.799 -4.774 1.00 0.00 H new ATOM 0 HA LEU A 43 5.080 7.499 -2.027 1.00 0.00 H new ATOM 0 HB2 LEU A 43 2.961 6.760 -3.076 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.659 5.182 -3.380 1.00 0.00 H new ATOM 0 HG LEU A 43 3.583 6.248 -0.583 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.299 5.157 -0.335 1.00 0.00 H new ATOM 0 HD12 LEU A 43 1.255 6.494 -1.509 1.00 0.00 H new ATOM 0 HD13 LEU A 43 1.305 4.809 -2.080 1.00 0.00 H new ATOM 0 HD21 LEU A 43 3.287 3.855 0.024 1.00 0.00 H new ATOM 0 HD22 LEU A 43 3.303 3.427 -1.704 1.00 0.00 H new ATOM 0 HD23 LEU A 43 4.757 4.119 -0.945 1.00 0.00 H new ATOM 885 N LEU A 44 6.684 4.786 -3.016 1.00 0.00 N ATOM 886 CA LEU A 44 7.810 3.910 -2.639 1.00 0.00 C ATOM 887 C LEU A 44 9.091 4.725 -2.383 1.00 0.00 C ATOM 888 O LEU A 44 9.810 4.502 -1.408 1.00 0.00 O ATOM 889 CB LEU A 44 8.073 2.819 -3.706 1.00 0.00 C ATOM 890 CG LEU A 44 6.849 2.118 -4.325 1.00 0.00 C ATOM 891 CD1 LEU A 44 7.294 1.064 -5.338 1.00 0.00 C ATOM 892 CD2 LEU A 44 5.939 1.445 -3.301 1.00 0.00 C ATOM 0 H LEU A 44 6.321 4.613 -3.953 1.00 0.00 H new ATOM 0 HA LEU A 44 7.526 3.412 -1.712 1.00 0.00 H new ATOM 0 HB2 LEU A 44 8.646 3.272 -4.515 1.00 0.00 H new ATOM 0 HB3 LEU A 44 8.706 2.054 -3.256 1.00 0.00 H new ATOM 0 HG LEU A 44 6.275 2.910 -4.806 1.00 0.00 H new ATOM 0 HD11 LEU A 44 6.417 0.578 -5.766 1.00 0.00 H new ATOM 0 HD12 LEU A 44 7.868 1.542 -6.132 1.00 0.00 H new ATOM 0 HD13 LEU A 44 7.915 0.319 -4.839 1.00 0.00 H new ATOM 0 HD21 LEU A 44 5.100 0.974 -3.814 1.00 0.00 H new ATOM 0 HD22 LEU A 44 6.502 0.688 -2.755 1.00 0.00 H new ATOM 0 HD23 LEU A 44 5.563 2.192 -2.602 1.00 0.00 H new ATOM 904 N LYS A 45 9.373 5.714 -3.236 1.00 0.00 N ATOM 905 CA LYS A 45 10.555 6.587 -3.137 1.00 0.00 C ATOM 906 C LYS A 45 10.468 7.620 -2.012 1.00 0.00 C ATOM 907 O LYS A 45 11.505 8.032 -1.493 1.00 0.00 O ATOM 908 CB LYS A 45 10.877 7.175 -4.518 1.00 0.00 C ATOM 909 CG LYS A 45 11.336 6.016 -5.419 1.00 0.00 C ATOM 910 CD LYS A 45 11.729 6.398 -6.843 1.00 0.00 C ATOM 911 CE LYS A 45 12.908 7.350 -6.960 1.00 0.00 C ATOM 912 NZ LYS A 45 14.165 6.768 -6.409 1.00 0.00 N ATOM 0 H LYS A 45 8.776 5.938 -4.032 1.00 0.00 H new ATOM 0 HA LYS A 45 11.406 5.977 -2.834 1.00 0.00 H new ATOM 0 HB2 LYS A 45 9.999 7.664 -4.940 1.00 0.00 H new ATOM 0 HB3 LYS A 45 11.657 7.932 -4.440 1.00 0.00 H new ATOM 0 HG2 LYS A 45 12.188 5.528 -4.946 1.00 0.00 H new ATOM 0 HG3 LYS A 45 10.534 5.280 -5.469 1.00 0.00 H new ATOM 0 HD2 LYS A 45 11.963 5.487 -7.394 1.00 0.00 H new ATOM 0 HD3 LYS A 45 10.867 6.853 -7.330 1.00 0.00 H new ATOM 0 HE2 LYS A 45 13.060 7.609 -8.008 1.00 0.00 H new ATOM 0 HE3 LYS A 45 12.678 8.276 -6.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 14.514 7.366 -5.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 13.976 5.810 -6.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 14.884 6.721 -7.159 1.00 0.00 H new ATOM 926 N SER A 46 9.260 7.935 -1.542 1.00 0.00 N ATOM 927 CA SER A 46 9.040 8.713 -0.308 1.00 0.00 C ATOM 928 C SER A 46 9.529 7.971 0.950 1.00 0.00 C ATOM 929 O SER A 46 9.837 8.613 1.956 1.00 0.00 O ATOM 930 CB SER A 46 7.559 9.082 -0.149 1.00 0.00 C ATOM 931 OG SER A 46 7.142 9.926 -1.207 1.00 0.00 O ATOM 0 H SER A 46 8.395 7.658 -2.007 1.00 0.00 H new ATOM 0 HA SER A 46 9.631 9.624 -0.407 1.00 0.00 H new ATOM 0 HB2 SER A 46 6.952 8.177 -0.137 1.00 0.00 H new ATOM 0 HB3 SER A 46 7.403 9.583 0.807 1.00 0.00 H new ATOM 0 HG SER A 46 7.139 9.421 -2.047 1.00 0.00 H new ATOM 937 N VAL A 47 9.661 6.636 0.883 1.00 0.00 N ATOM 938 CA VAL A 47 10.321 5.780 1.898 1.00 0.00 C ATOM 939 C VAL A 47 11.682 5.216 1.444 1.00 0.00 C ATOM 940 O VAL A 47 12.195 4.264 2.035 1.00 0.00 O ATOM 941 CB VAL A 47 9.370 4.718 2.488 1.00 0.00 C ATOM 942 CG1 VAL A 47 8.100 5.360 3.050 1.00 0.00 C ATOM 943 CG2 VAL A 47 8.956 3.627 1.493 1.00 0.00 C ATOM 0 H VAL A 47 9.300 6.098 0.095 1.00 0.00 H new ATOM 0 HA VAL A 47 10.569 6.443 2.727 1.00 0.00 H new ATOM 0 HB VAL A 47 9.948 4.244 3.281 1.00 0.00 H new ATOM 0 HG11 VAL A 47 7.451 4.585 3.458 1.00 0.00 H new ATOM 0 HG12 VAL A 47 8.366 6.063 3.839 1.00 0.00 H new ATOM 0 HG13 VAL A 47 7.577 5.889 2.254 1.00 0.00 H new ATOM 0 HG21 VAL A 47 8.288 2.920 1.985 1.00 0.00 H new ATOM 0 HG22 VAL A 47 8.442 4.083 0.646 1.00 0.00 H new ATOM 0 HG23 VAL A 47 9.843 3.102 1.139 1.00 0.00 H new ATOM 953 N GLY A 48 12.307 5.825 0.429 1.00 0.00 N ATOM 954 CA GLY A 48 13.701 5.566 0.042 1.00 0.00 C ATOM 955 C GLY A 48 13.951 4.382 -0.902 1.00 0.00 C ATOM 956 O GLY A 48 15.065 3.855 -0.918 1.00 0.00 O ATOM 0 H GLY A 48 11.851 6.524 -0.157 1.00 0.00 H new ATOM 0 HA2 GLY A 48 14.095 6.466 -0.431 1.00 0.00 H new ATOM 0 HA3 GLY A 48 14.281 5.404 0.951 1.00 0.00 H new ATOM 960 N ALA A 49 12.956 3.956 -1.690 1.00 0.00 N ATOM 961 CA ALA A 49 13.131 2.939 -2.728 1.00 0.00 C ATOM 962 C ALA A 49 14.197 3.359 -3.774 1.00 0.00 C ATOM 963 O ALA A 49 14.233 4.507 -4.228 1.00 0.00 O ATOM 964 CB ALA A 49 11.741 2.670 -3.315 1.00 0.00 C ATOM 0 H ALA A 49 12.002 4.311 -1.623 1.00 0.00 H new ATOM 0 HA ALA A 49 13.530 2.011 -2.319 1.00 0.00 H new ATOM 0 HB1 ALA A 49 11.816 1.915 -4.098 1.00 0.00 H new ATOM 0 HB2 ALA A 49 11.077 2.312 -2.528 1.00 0.00 H new ATOM 0 HB3 ALA A 49 11.340 3.591 -3.737 1.00 0.00 H new ATOM 970 N GLN A 50 15.108 2.445 -4.126 1.00 0.00 N ATOM 971 CA GLN A 50 16.291 2.739 -4.953 1.00 0.00 C ATOM 972 C GLN A 50 16.011 2.671 -6.467 1.00 0.00 C ATOM 973 O GLN A 50 16.324 3.607 -7.207 1.00 0.00 O ATOM 974 CB GLN A 50 17.429 1.789 -4.528 1.00 0.00 C ATOM 975 CG GLN A 50 18.731 1.910 -5.346 1.00 0.00 C ATOM 976 CD GLN A 50 19.444 3.261 -5.228 1.00 0.00 C ATOM 977 OE1 GLN A 50 19.173 4.092 -4.369 1.00 0.00 O ATOM 978 NE2 GLN A 50 20.405 3.533 -6.087 1.00 0.00 N ATOM 0 H GLN A 50 15.047 1.467 -3.843 1.00 0.00 H new ATOM 0 HA GLN A 50 16.588 3.773 -4.778 1.00 0.00 H new ATOM 0 HB2 GLN A 50 17.660 1.973 -3.479 1.00 0.00 H new ATOM 0 HB3 GLN A 50 17.069 0.763 -4.600 1.00 0.00 H new ATOM 0 HG2 GLN A 50 19.417 1.125 -5.028 1.00 0.00 H new ATOM 0 HG3 GLN A 50 18.502 1.727 -6.396 1.00 0.00 H new ATOM 0 HE21 GLN A 50 20.648 2.857 -6.811 1.00 0.00 H new ATOM 0 HE22 GLN A 50 20.906 4.420 -6.028 1.00 0.00 H new ATOM 987 N LYS A 51 15.431 1.554 -6.918 1.00 0.00 N ATOM 988 CA LYS A 51 15.077 1.247 -8.319 1.00 0.00 C ATOM 989 C LYS A 51 13.749 1.885 -8.752 1.00 0.00 C ATOM 990 O LYS A 51 12.996 2.407 -7.928 1.00 0.00 O ATOM 991 CB LYS A 51 15.034 -0.284 -8.513 1.00 0.00 C ATOM 992 CG LYS A 51 16.380 -0.967 -8.219 1.00 0.00 C ATOM 993 CD LYS A 51 16.297 -2.474 -8.496 1.00 0.00 C ATOM 994 CE LYS A 51 17.649 -3.137 -8.202 1.00 0.00 C ATOM 995 NZ LYS A 51 17.612 -4.599 -8.469 1.00 0.00 N ATOM 0 H LYS A 51 15.180 0.794 -6.285 1.00 0.00 H new ATOM 0 HA LYS A 51 15.847 1.681 -8.957 1.00 0.00 H new ATOM 0 HB2 LYS A 51 14.269 -0.706 -7.861 1.00 0.00 H new ATOM 0 HB3 LYS A 51 14.737 -0.506 -9.538 1.00 0.00 H new ATOM 0 HG2 LYS A 51 17.161 -0.522 -8.835 1.00 0.00 H new ATOM 0 HG3 LYS A 51 16.659 -0.798 -7.179 1.00 0.00 H new ATOM 0 HD2 LYS A 51 15.520 -2.923 -7.878 1.00 0.00 H new ATOM 0 HD3 LYS A 51 16.017 -2.646 -9.535 1.00 0.00 H new ATOM 0 HE2 LYS A 51 18.423 -2.674 -8.815 1.00 0.00 H new ATOM 0 HE3 LYS A 51 17.921 -2.964 -7.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 18.542 -5.014 -8.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 16.891 -5.044 -7.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 17.377 -4.763 -9.469 1.00 0.00 H new ATOM 1009 N ASP A 52 13.453 1.807 -10.050 1.00 0.00 N ATOM 1010 CA ASP A 52 12.185 2.207 -10.682 1.00 0.00 C ATOM 1011 C ASP A 52 11.176 1.079 -10.996 1.00 0.00 C ATOM 1012 O ASP A 52 10.059 1.348 -11.446 1.00 0.00 O ATOM 1013 CB ASP A 52 12.419 3.158 -11.873 1.00 0.00 C ATOM 1014 CG ASP A 52 13.502 2.735 -12.887 1.00 0.00 C ATOM 1015 OD1 ASP A 52 14.046 1.606 -12.812 1.00 0.00 O ATOM 1016 OD2 ASP A 52 13.811 3.550 -13.789 1.00 0.00 O ATOM 0 H ASP A 52 14.123 1.445 -10.728 1.00 0.00 H new ATOM 0 HA ASP A 52 11.668 2.759 -9.898 1.00 0.00 H new ATOM 0 HB2 ASP A 52 11.476 3.273 -12.408 1.00 0.00 H new ATOM 0 HB3 ASP A 52 12.684 4.139 -11.479 1.00 0.00 H new ATOM 1021 N THR A 53 11.539 -0.182 -10.738 1.00 0.00 N ATOM 1022 CA THR A 53 10.714 -1.379 -11.009 1.00 0.00 C ATOM 1023 C THR A 53 10.837 -2.333 -9.814 1.00 0.00 C ATOM 1024 O THR A 53 11.896 -2.462 -9.193 1.00 0.00 O ATOM 1025 CB THR A 53 11.206 -2.151 -12.250 1.00 0.00 C ATOM 1026 OG1 THR A 53 12.616 -2.158 -12.365 1.00 0.00 O ATOM 1027 CG2 THR A 53 10.625 -1.555 -13.528 1.00 0.00 C ATOM 0 H THR A 53 12.442 -0.412 -10.322 1.00 0.00 H new ATOM 0 HA THR A 53 9.690 -1.044 -11.177 1.00 0.00 H new ATOM 0 HB THR A 53 10.863 -3.177 -12.117 1.00 0.00 H new ATOM 0 HG1 THR A 53 12.876 -2.660 -13.165 1.00 0.00 H new ATOM 0 HG21 THR A 53 10.987 -2.117 -14.389 1.00 0.00 H new ATOM 0 HG22 THR A 53 9.537 -1.607 -13.492 1.00 0.00 H new ATOM 0 HG23 THR A 53 10.935 -0.514 -13.618 1.00 0.00 H new ATOM 1035 N TYR A 54 9.728 -3.024 -9.519 1.00 0.00 N ATOM 1036 CA TYR A 54 9.530 -3.872 -8.336 1.00 0.00 C ATOM 1037 C TYR A 54 8.628 -5.091 -8.554 1.00 0.00 C ATOM 1038 O TYR A 54 7.865 -5.115 -9.519 1.00 0.00 O ATOM 1039 CB TYR A 54 9.012 -3.012 -7.173 1.00 0.00 C ATOM 1040 CG TYR A 54 10.045 -2.045 -6.646 1.00 0.00 C ATOM 1041 CD1 TYR A 54 11.167 -2.528 -5.944 1.00 0.00 C ATOM 1042 CD2 TYR A 54 9.933 -0.676 -6.958 1.00 0.00 C ATOM 1043 CE1 TYR A 54 12.195 -1.644 -5.577 1.00 0.00 C ATOM 1044 CE2 TYR A 54 10.954 0.212 -6.583 1.00 0.00 C ATOM 1045 CZ TYR A 54 12.092 -0.278 -5.906 1.00 0.00 C ATOM 1046 OH TYR A 54 13.112 0.559 -5.599 1.00 0.00 O ATOM 0 H TYR A 54 8.908 -3.006 -10.125 1.00 0.00 H new ATOM 0 HA TYR A 54 10.507 -4.294 -8.100 1.00 0.00 H new ATOM 0 HB2 TYR A 54 8.136 -2.454 -7.504 1.00 0.00 H new ATOM 0 HB3 TYR A 54 8.687 -3.665 -6.363 1.00 0.00 H new ATOM 0 HD1 TYR A 54 11.236 -3.575 -5.689 1.00 0.00 H new ATOM 0 HD2 TYR A 54 9.064 -0.310 -7.484 1.00 0.00 H new ATOM 0 HE1 TYR A 54 13.061 -2.010 -5.045 1.00 0.00 H new ATOM 0 HE2 TYR A 54 10.869 1.264 -6.811 1.00 0.00 H new ATOM 0 HH TYR A 54 13.078 1.345 -6.183 1.00 0.00 H new ATOM 1056 N THR A 55 8.700 -6.088 -7.668 1.00 0.00 N ATOM 1057 CA THR A 55 7.752 -7.220 -7.577 1.00 0.00 C ATOM 1058 C THR A 55 6.488 -6.911 -6.768 1.00 0.00 C ATOM 1059 O THR A 55 6.478 -5.939 -6.012 1.00 0.00 O ATOM 1060 CB THR A 55 8.420 -8.521 -7.090 1.00 0.00 C ATOM 1061 OG1 THR A 55 8.399 -8.567 -5.679 1.00 0.00 O ATOM 1062 CG2 THR A 55 9.872 -8.693 -7.533 1.00 0.00 C ATOM 0 H THR A 55 9.441 -6.138 -6.968 1.00 0.00 H new ATOM 0 HA THR A 55 7.425 -7.381 -8.604 1.00 0.00 H new ATOM 0 HB THR A 55 7.842 -9.326 -7.543 1.00 0.00 H new ATOM 0 HG1 THR A 55 8.823 -9.396 -5.372 1.00 0.00 H new ATOM 0 HG21 THR A 55 10.262 -9.634 -7.146 1.00 0.00 H new ATOM 0 HG22 THR A 55 9.922 -8.700 -8.622 1.00 0.00 H new ATOM 0 HG23 THR A 55 10.470 -7.867 -7.148 1.00 0.00 H new ATOM 1070 N MET A 56 5.436 -7.740 -6.844 1.00 0.00 N ATOM 1071 CA MET A 56 4.253 -7.589 -5.973 1.00 0.00 C ATOM 1072 C MET A 56 4.617 -7.568 -4.477 1.00 0.00 C ATOM 1073 O MET A 56 4.135 -6.709 -3.738 1.00 0.00 O ATOM 1074 CB MET A 56 3.218 -8.697 -6.246 1.00 0.00 C ATOM 1075 CG MET A 56 2.346 -8.393 -7.468 1.00 0.00 C ATOM 1076 SD MET A 56 1.248 -6.961 -7.245 1.00 0.00 S ATOM 1077 CE MET A 56 0.710 -6.714 -8.955 1.00 0.00 C ATOM 0 H MET A 56 5.377 -8.521 -7.497 1.00 0.00 H new ATOM 0 HA MET A 56 3.815 -6.621 -6.218 1.00 0.00 H new ATOM 0 HB2 MET A 56 3.735 -9.644 -6.399 1.00 0.00 H new ATOM 0 HB3 MET A 56 2.581 -8.819 -5.370 1.00 0.00 H new ATOM 0 HG2 MET A 56 2.991 -8.214 -8.328 1.00 0.00 H new ATOM 0 HG3 MET A 56 1.742 -9.270 -7.699 1.00 0.00 H new ATOM 0 HE1 MET A 56 0.025 -5.867 -9.002 1.00 0.00 H new ATOM 0 HE2 MET A 56 1.577 -6.515 -9.584 1.00 0.00 H new ATOM 0 HE3 MET A 56 0.203 -7.611 -9.310 1.00 0.00 H new ATOM 1087 N LYS A 57 5.523 -8.459 -4.042 1.00 0.00 N ATOM 1088 CA LYS A 57 6.068 -8.499 -2.675 1.00 0.00 C ATOM 1089 C LYS A 57 6.794 -7.204 -2.324 1.00 0.00 C ATOM 1090 O LYS A 57 6.540 -6.642 -1.264 1.00 0.00 O ATOM 1091 CB LYS A 57 6.956 -9.751 -2.537 1.00 0.00 C ATOM 1092 CG LYS A 57 7.708 -9.930 -1.203 1.00 0.00 C ATOM 1093 CD LYS A 57 8.977 -9.067 -1.062 1.00 0.00 C ATOM 1094 CE LYS A 57 9.922 -9.609 0.016 1.00 0.00 C ATOM 1095 NZ LYS A 57 11.110 -8.729 0.170 1.00 0.00 N ATOM 0 H LYS A 57 5.905 -9.188 -4.644 1.00 0.00 H new ATOM 0 HA LYS A 57 5.257 -8.575 -1.951 1.00 0.00 H new ATOM 0 HB2 LYS A 57 6.330 -10.630 -2.694 1.00 0.00 H new ATOM 0 HB3 LYS A 57 7.691 -9.736 -3.341 1.00 0.00 H new ATOM 0 HG2 LYS A 57 7.030 -9.692 -0.384 1.00 0.00 H new ATOM 0 HG3 LYS A 57 7.984 -10.979 -1.094 1.00 0.00 H new ATOM 0 HD2 LYS A 57 9.500 -9.032 -2.018 1.00 0.00 H new ATOM 0 HD3 LYS A 57 8.694 -8.044 -0.815 1.00 0.00 H new ATOM 0 HE2 LYS A 57 9.393 -9.682 0.966 1.00 0.00 H new ATOM 0 HE3 LYS A 57 10.242 -10.617 -0.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 11.853 -9.237 0.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 11.467 -8.460 -0.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 10.842 -7.873 0.696 1.00 0.00 H new ATOM 1109 N GLU A 58 7.681 -6.716 -3.193 1.00 0.00 N ATOM 1110 CA GLU A 58 8.460 -5.500 -2.919 1.00 0.00 C ATOM 1111 C GLU A 58 7.599 -4.226 -2.878 1.00 0.00 C ATOM 1112 O GLU A 58 7.785 -3.392 -1.990 1.00 0.00 O ATOM 1113 CB GLU A 58 9.599 -5.344 -3.938 1.00 0.00 C ATOM 1114 CG GLU A 58 10.688 -6.432 -3.876 1.00 0.00 C ATOM 1115 CD GLU A 58 11.374 -6.616 -2.505 1.00 0.00 C ATOM 1116 OE1 GLU A 58 11.329 -5.715 -1.639 1.00 0.00 O ATOM 1117 OE2 GLU A 58 11.965 -7.699 -2.274 1.00 0.00 O ATOM 0 H GLU A 58 7.881 -7.144 -4.097 1.00 0.00 H new ATOM 0 HA GLU A 58 8.882 -5.624 -1.922 1.00 0.00 H new ATOM 0 HB2 GLU A 58 9.170 -5.338 -4.940 1.00 0.00 H new ATOM 0 HB3 GLU A 58 10.070 -4.372 -3.787 1.00 0.00 H new ATOM 0 HG2 GLU A 58 10.243 -7.383 -4.169 1.00 0.00 H new ATOM 0 HG3 GLU A 58 11.453 -6.197 -4.616 1.00 0.00 H new ATOM 1124 N VAL A 59 6.615 -4.094 -3.778 1.00 0.00 N ATOM 1125 CA VAL A 59 5.649 -2.981 -3.753 1.00 0.00 C ATOM 1126 C VAL A 59 4.830 -3.027 -2.463 1.00 0.00 C ATOM 1127 O VAL A 59 4.747 -2.013 -1.771 1.00 0.00 O ATOM 1128 CB VAL A 59 4.713 -3.002 -4.978 1.00 0.00 C ATOM 1129 CG1 VAL A 59 3.652 -1.900 -4.903 1.00 0.00 C ATOM 1130 CG2 VAL A 59 5.491 -2.773 -6.279 1.00 0.00 C ATOM 0 H VAL A 59 6.464 -4.752 -4.543 1.00 0.00 H new ATOM 0 HA VAL A 59 6.216 -2.051 -3.791 1.00 0.00 H new ATOM 0 HB VAL A 59 4.243 -3.985 -4.972 1.00 0.00 H new ATOM 0 HG11 VAL A 59 3.013 -1.949 -5.785 1.00 0.00 H new ATOM 0 HG12 VAL A 59 3.046 -2.039 -4.008 1.00 0.00 H new ATOM 0 HG13 VAL A 59 4.141 -0.927 -4.863 1.00 0.00 H new ATOM 0 HG21 VAL A 59 4.802 -2.794 -7.123 1.00 0.00 H new ATOM 0 HG22 VAL A 59 5.988 -1.804 -6.240 1.00 0.00 H new ATOM 0 HG23 VAL A 59 6.237 -3.559 -6.400 1.00 0.00 H new ATOM 1140 N LEU A 60 4.265 -4.189 -2.101 1.00 0.00 N ATOM 1141 CA LEU A 60 3.524 -4.345 -0.844 1.00 0.00 C ATOM 1142 C LEU A 60 4.419 -4.029 0.366 1.00 0.00 C ATOM 1143 O LEU A 60 3.971 -3.321 1.265 1.00 0.00 O ATOM 1144 CB LEU A 60 2.930 -5.762 -0.734 1.00 0.00 C ATOM 1145 CG LEU A 60 1.710 -6.041 -1.633 1.00 0.00 C ATOM 1146 CD1 LEU A 60 1.414 -7.542 -1.652 1.00 0.00 C ATOM 1147 CD2 LEU A 60 0.453 -5.332 -1.120 1.00 0.00 C ATOM 0 H LEU A 60 4.309 -5.037 -2.666 1.00 0.00 H new ATOM 0 HA LEU A 60 2.700 -3.631 -0.846 1.00 0.00 H new ATOM 0 HB2 LEU A 60 3.710 -6.484 -0.975 1.00 0.00 H new ATOM 0 HB3 LEU A 60 2.643 -5.937 0.303 1.00 0.00 H new ATOM 0 HG LEU A 60 1.954 -5.671 -2.629 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.551 -7.735 -2.289 1.00 0.00 H new ATOM 0 HD12 LEU A 60 2.279 -8.079 -2.042 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.201 -7.884 -0.639 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -0.385 -5.554 -1.781 1.00 0.00 H new ATOM 0 HD22 LEU A 60 0.224 -5.681 -0.113 1.00 0.00 H new ATOM 0 HD23 LEU A 60 0.625 -4.256 -1.100 1.00 0.00 H new ATOM 1159 N PHE A 61 5.678 -4.482 0.380 1.00 0.00 N ATOM 1160 CA PHE A 61 6.649 -4.157 1.427 1.00 0.00 C ATOM 1161 C PHE A 61 6.847 -2.665 1.685 1.00 0.00 C ATOM 1162 O PHE A 61 6.563 -2.158 2.771 1.00 0.00 O ATOM 1163 CB PHE A 61 7.959 -4.948 1.252 1.00 0.00 C ATOM 1164 CG PHE A 61 9.144 -4.408 2.038 1.00 0.00 C ATOM 1165 CD1 PHE A 61 9.372 -4.841 3.359 1.00 0.00 C ATOM 1166 CD2 PHE A 61 10.007 -3.456 1.460 1.00 0.00 C ATOM 1167 CE1 PHE A 61 10.437 -4.303 4.106 1.00 0.00 C ATOM 1168 CE2 PHE A 61 11.070 -2.918 2.206 1.00 0.00 C ATOM 1169 CZ PHE A 61 11.284 -3.339 3.530 1.00 0.00 C ATOM 0 H PHE A 61 6.054 -5.092 -0.346 1.00 0.00 H new ATOM 0 HA PHE A 61 6.200 -4.499 2.360 1.00 0.00 H new ATOM 0 HB2 PHE A 61 7.785 -5.982 1.550 1.00 0.00 H new ATOM 0 HB3 PHE A 61 8.220 -4.961 0.194 1.00 0.00 H new ATOM 0 HD1 PHE A 61 8.728 -5.588 3.800 1.00 0.00 H new ATOM 0 HD2 PHE A 61 9.851 -3.138 0.440 1.00 0.00 H new ATOM 0 HE1 PHE A 61 10.604 -4.630 5.122 1.00 0.00 H new ATOM 0 HE2 PHE A 61 11.723 -2.181 1.762 1.00 0.00 H new ATOM 0 HZ PHE A 61 12.098 -2.923 4.105 1.00 0.00 H new ATOM 1179 N TYR A 62 7.251 -1.953 0.638 1.00 0.00 N ATOM 1180 CA TYR A 62 7.388 -0.495 0.657 1.00 0.00 C ATOM 1181 C TYR A 62 6.113 0.293 0.991 1.00 0.00 C ATOM 1182 O TYR A 62 6.159 1.261 1.750 1.00 0.00 O ATOM 1183 CB TYR A 62 8.048 0.012 -0.629 1.00 0.00 C ATOM 1184 CG TYR A 62 9.543 -0.206 -0.768 1.00 0.00 C ATOM 1185 CD1 TYR A 62 10.442 0.388 0.139 1.00 0.00 C ATOM 1186 CD2 TYR A 62 10.037 -0.956 -1.852 1.00 0.00 C ATOM 1187 CE1 TYR A 62 11.831 0.245 -0.047 1.00 0.00 C ATOM 1188 CE2 TYR A 62 11.422 -1.118 -2.031 1.00 0.00 C ATOM 1189 CZ TYR A 62 12.326 -0.510 -1.132 1.00 0.00 C ATOM 1190 OH TYR A 62 13.671 -0.640 -1.308 1.00 0.00 O ATOM 0 H TYR A 62 7.496 -2.373 -0.259 1.00 0.00 H new ATOM 0 HA TYR A 62 8.045 -0.293 1.503 1.00 0.00 H new ATOM 0 HB2 TYR A 62 7.556 -0.468 -1.475 1.00 0.00 H new ATOM 0 HB3 TYR A 62 7.852 1.081 -0.711 1.00 0.00 H new ATOM 0 HD1 TYR A 62 10.066 0.954 0.978 1.00 0.00 H new ATOM 0 HD2 TYR A 62 9.348 -1.409 -2.550 1.00 0.00 H new ATOM 0 HE1 TYR A 62 12.518 0.714 0.642 1.00 0.00 H new ATOM 0 HE2 TYR A 62 11.795 -1.707 -2.856 1.00 0.00 H new ATOM 0 HH TYR A 62 13.846 -1.191 -2.099 1.00 0.00 H new ATOM 1200 N LEU A 63 4.963 -0.151 0.476 1.00 0.00 N ATOM 1201 CA LEU A 63 3.651 0.433 0.754 1.00 0.00 C ATOM 1202 C LEU A 63 3.244 0.255 2.228 1.00 0.00 C ATOM 1203 O LEU A 63 2.829 1.215 2.873 1.00 0.00 O ATOM 1204 CB LEU A 63 2.645 -0.193 -0.228 1.00 0.00 C ATOM 1205 CG LEU A 63 1.187 0.258 -0.058 1.00 0.00 C ATOM 1206 CD1 LEU A 63 1.036 1.767 -0.218 1.00 0.00 C ATOM 1207 CD2 LEU A 63 0.323 -0.402 -1.133 1.00 0.00 C ATOM 0 H LEU A 63 4.919 -0.946 -0.161 1.00 0.00 H new ATOM 0 HA LEU A 63 3.676 1.512 0.603 1.00 0.00 H new ATOM 0 HB2 LEU A 63 2.963 0.040 -1.244 1.00 0.00 H new ATOM 0 HB3 LEU A 63 2.686 -1.277 -0.122 1.00 0.00 H new ATOM 0 HG LEU A 63 0.875 -0.031 0.946 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -0.011 2.044 -0.090 1.00 0.00 H new ATOM 0 HD12 LEU A 63 1.640 2.275 0.534 1.00 0.00 H new ATOM 0 HD13 LEU A 63 1.371 2.063 -1.212 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -0.712 -0.083 -1.014 1.00 0.00 H new ATOM 0 HD22 LEU A 63 0.682 -0.108 -2.119 1.00 0.00 H new ATOM 0 HD23 LEU A 63 0.383 -1.486 -1.033 1.00 0.00 H new ATOM 1219 N GLY A 64 3.441 -0.939 2.793 1.00 0.00 N ATOM 1220 CA GLY A 64 3.213 -1.212 4.213 1.00 0.00 C ATOM 1221 C GLY A 64 4.156 -0.426 5.126 1.00 0.00 C ATOM 1222 O GLY A 64 3.713 0.145 6.120 1.00 0.00 O ATOM 0 H GLY A 64 3.767 -1.752 2.271 1.00 0.00 H new ATOM 0 HA2 GLY A 64 2.182 -0.965 4.465 1.00 0.00 H new ATOM 0 HA3 GLY A 64 3.340 -2.279 4.398 1.00 0.00 H new ATOM 1226 N GLN A 65 5.437 -0.313 4.762 1.00 0.00 N ATOM 1227 CA GLN A 65 6.404 0.549 5.454 1.00 0.00 C ATOM 1228 C GLN A 65 6.032 2.043 5.366 1.00 0.00 C ATOM 1229 O GLN A 65 6.250 2.784 6.326 1.00 0.00 O ATOM 1230 CB GLN A 65 7.820 0.287 4.910 1.00 0.00 C ATOM 1231 CG GLN A 65 8.364 -1.104 5.293 1.00 0.00 C ATOM 1232 CD GLN A 65 8.663 -1.254 6.785 1.00 0.00 C ATOM 1233 OE1 GLN A 65 9.323 -0.432 7.405 1.00 0.00 O ATOM 1234 NE2 GLN A 65 8.222 -2.322 7.416 1.00 0.00 N ATOM 0 H GLN A 65 5.837 -0.821 3.973 1.00 0.00 H new ATOM 0 HA GLN A 65 6.380 0.295 6.514 1.00 0.00 H new ATOM 0 HB2 GLN A 65 7.809 0.381 3.824 1.00 0.00 H new ATOM 0 HB3 GLN A 65 8.497 1.053 5.289 1.00 0.00 H new ATOM 0 HG2 GLN A 65 7.639 -1.862 4.998 1.00 0.00 H new ATOM 0 HG3 GLN A 65 9.275 -1.297 4.727 1.00 0.00 H new ATOM 0 HE21 GLN A 65 7.670 -3.018 6.915 1.00 0.00 H new ATOM 0 HE22 GLN A 65 8.432 -2.453 8.405 1.00 0.00 H new ATOM 1243 N TYR A 66 5.400 2.485 4.271 1.00 0.00 N ATOM 1244 CA TYR A 66 4.806 3.818 4.161 1.00 0.00 C ATOM 1245 C TYR A 66 3.618 4.061 5.099 1.00 0.00 C ATOM 1246 O TYR A 66 3.612 5.017 5.875 1.00 0.00 O ATOM 1247 CB TYR A 66 4.567 4.203 2.692 1.00 0.00 C ATOM 1248 CG TYR A 66 3.709 5.437 2.475 1.00 0.00 C ATOM 1249 CD1 TYR A 66 2.305 5.335 2.491 1.00 0.00 C ATOM 1250 CD2 TYR A 66 4.317 6.689 2.251 1.00 0.00 C ATOM 1251 CE1 TYR A 66 1.514 6.482 2.304 1.00 0.00 C ATOM 1252 CE2 TYR A 66 3.526 7.836 2.041 1.00 0.00 C ATOM 1253 CZ TYR A 66 2.118 7.734 2.070 1.00 0.00 C ATOM 1254 OH TYR A 66 1.339 8.835 1.883 1.00 0.00 O ATOM 0 H TYR A 66 5.287 1.919 3.430 1.00 0.00 H new ATOM 0 HA TYR A 66 5.545 4.525 4.539 1.00 0.00 H new ATOM 0 HB2 TYR A 66 5.533 4.364 2.214 1.00 0.00 H new ATOM 0 HB3 TYR A 66 4.097 3.360 2.185 1.00 0.00 H new ATOM 0 HD1 TYR A 66 1.835 4.375 2.647 1.00 0.00 H new ATOM 0 HD2 TYR A 66 5.394 6.769 2.240 1.00 0.00 H new ATOM 0 HE1 TYR A 66 0.437 6.404 2.340 1.00 0.00 H new ATOM 0 HE2 TYR A 66 3.996 8.791 1.858 1.00 0.00 H new ATOM 0 HH TYR A 66 1.909 9.618 1.735 1.00 0.00 H new ATOM 1264 N ILE A 67 2.657 3.131 5.108 1.00 0.00 N ATOM 1265 CA ILE A 67 1.490 3.150 6.005 1.00 0.00 C ATOM 1266 C ILE A 67 1.920 3.107 7.481 1.00 0.00 C ATOM 1267 O ILE A 67 1.345 3.814 8.311 1.00 0.00 O ATOM 1268 CB ILE A 67 0.530 1.989 5.656 1.00 0.00 C ATOM 1269 CG1 ILE A 67 -0.036 2.130 4.226 1.00 0.00 C ATOM 1270 CG2 ILE A 67 -0.639 1.919 6.657 1.00 0.00 C ATOM 1271 CD1 ILE A 67 -0.511 0.807 3.611 1.00 0.00 C ATOM 0 H ILE A 67 2.666 2.327 4.481 1.00 0.00 H new ATOM 0 HA ILE A 67 0.955 4.088 5.857 1.00 0.00 H new ATOM 0 HB ILE A 67 1.112 1.069 5.714 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -0.870 2.831 4.244 1.00 0.00 H new ATOM 0 HG13 ILE A 67 0.731 2.563 3.584 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -1.299 1.094 6.389 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -0.248 1.759 7.662 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -1.198 2.854 6.630 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -0.894 0.989 2.607 1.00 0.00 H new ATOM 0 HD12 ILE A 67 0.325 0.109 3.559 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -1.301 0.381 4.229 1.00 0.00 H new ATOM 1283 N MET A 68 2.966 2.334 7.794 1.00 0.00 N ATOM 1284 CA MET A 68 3.607 2.269 9.110 1.00 0.00 C ATOM 1285 C MET A 68 4.227 3.615 9.514 1.00 0.00 C ATOM 1286 O MET A 68 3.860 4.170 10.549 1.00 0.00 O ATOM 1287 CB MET A 68 4.652 1.141 9.115 1.00 0.00 C ATOM 1288 CG MET A 68 5.399 1.001 10.450 1.00 0.00 C ATOM 1289 SD MET A 68 6.858 -0.079 10.398 1.00 0.00 S ATOM 1290 CE MET A 68 6.079 -1.679 10.062 1.00 0.00 C ATOM 0 H MET A 68 3.404 1.715 7.112 1.00 0.00 H new ATOM 0 HA MET A 68 2.844 2.048 9.856 1.00 0.00 H new ATOM 0 HB2 MET A 68 4.157 0.198 8.884 1.00 0.00 H new ATOM 0 HB3 MET A 68 5.376 1.324 8.321 1.00 0.00 H new ATOM 0 HG2 MET A 68 5.710 1.992 10.782 1.00 0.00 H new ATOM 0 HG3 MET A 68 4.707 0.617 11.199 1.00 0.00 H new ATOM 0 HE1 MET A 68 6.850 -2.438 9.930 1.00 0.00 H new ATOM 0 HE2 MET A 68 5.438 -1.954 10.899 1.00 0.00 H new ATOM 0 HE3 MET A 68 5.480 -1.609 9.154 1.00 0.00 H new ATOM 1300 N THR A 69 5.143 4.159 8.704 1.00 0.00 N ATOM 1301 CA THR A 69 5.870 5.402 9.026 1.00 0.00 C ATOM 1302 C THR A 69 5.022 6.680 9.058 1.00 0.00 C ATOM 1303 O THR A 69 5.214 7.542 9.920 1.00 0.00 O ATOM 1304 CB THR A 69 7.165 5.532 8.205 1.00 0.00 C ATOM 1305 OG1 THR A 69 8.098 6.322 8.913 1.00 0.00 O ATOM 1306 CG2 THR A 69 6.974 6.178 6.833 1.00 0.00 C ATOM 0 H THR A 69 5.404 3.753 7.806 1.00 0.00 H new ATOM 0 HA THR A 69 6.161 5.295 10.071 1.00 0.00 H new ATOM 0 HB THR A 69 7.513 4.511 8.049 1.00 0.00 H new ATOM 0 HG1 THR A 69 8.923 6.402 8.389 1.00 0.00 H new ATOM 0 HG21 THR A 69 7.934 6.232 6.319 1.00 0.00 H new ATOM 0 HG22 THR A 69 6.280 5.580 6.243 1.00 0.00 H new ATOM 0 HG23 THR A 69 6.572 7.183 6.957 1.00 0.00 H new ATOM 1314 N LYS A 70 4.019 6.772 8.172 1.00 0.00 N ATOM 1315 CA LYS A 70 2.985 7.826 8.175 1.00 0.00 C ATOM 1316 C LYS A 70 1.849 7.571 9.184 1.00 0.00 C ATOM 1317 O LYS A 70 1.041 8.470 9.429 1.00 0.00 O ATOM 1318 CB LYS A 70 2.443 8.013 6.744 1.00 0.00 C ATOM 1319 CG LYS A 70 3.494 8.409 5.689 1.00 0.00 C ATOM 1320 CD LYS A 70 4.256 9.715 5.967 1.00 0.00 C ATOM 1321 CE LYS A 70 3.309 10.920 6.035 1.00 0.00 C ATOM 1322 NZ LYS A 70 4.051 12.190 6.250 1.00 0.00 N ATOM 0 H LYS A 70 3.899 6.101 7.414 1.00 0.00 H new ATOM 0 HA LYS A 70 3.458 8.749 8.510 1.00 0.00 H new ATOM 0 HB2 LYS A 70 1.968 7.084 6.429 1.00 0.00 H new ATOM 0 HB3 LYS A 70 1.666 8.778 6.764 1.00 0.00 H new ATOM 0 HG2 LYS A 70 4.218 7.599 5.602 1.00 0.00 H new ATOM 0 HG3 LYS A 70 2.997 8.498 4.723 1.00 0.00 H new ATOM 0 HD2 LYS A 70 4.800 9.626 6.907 1.00 0.00 H new ATOM 0 HD3 LYS A 70 4.997 9.878 5.184 1.00 0.00 H new ATOM 0 HE2 LYS A 70 2.736 10.985 5.110 1.00 0.00 H new ATOM 0 HE3 LYS A 70 2.593 10.775 6.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 3.379 12.982 6.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 4.578 12.137 7.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 4.716 12.341 5.465 1.00 0.00 H new ATOM 1336 N ARG A 71 1.793 6.370 9.779 1.00 0.00 N ATOM 1337 CA ARG A 71 0.853 5.907 10.814 1.00 0.00 C ATOM 1338 C ARG A 71 -0.621 6.072 10.406 1.00 0.00 C ATOM 1339 O ARG A 71 -1.442 6.578 11.168 1.00 0.00 O ATOM 1340 CB ARG A 71 1.224 6.526 12.181 1.00 0.00 C ATOM 1341 CG ARG A 71 0.951 5.533 13.324 1.00 0.00 C ATOM 1342 CD ARG A 71 0.441 6.185 14.622 1.00 0.00 C ATOM 1343 NE ARG A 71 -0.929 6.732 14.494 1.00 0.00 N ATOM 1344 CZ ARG A 71 -2.024 6.066 14.164 1.00 0.00 C ATOM 1345 NH1 ARG A 71 -2.081 4.767 14.147 1.00 0.00 N ATOM 1346 NH2 ARG A 71 -3.117 6.682 13.826 1.00 0.00 N ATOM 0 H ARG A 71 2.457 5.637 9.529 1.00 0.00 H new ATOM 0 HA ARG A 71 0.958 4.828 10.924 1.00 0.00 H new ATOM 0 HB2 ARG A 71 2.277 6.809 12.183 1.00 0.00 H new ATOM 0 HB3 ARG A 71 0.648 7.438 12.340 1.00 0.00 H new ATOM 0 HG2 ARG A 71 0.217 4.801 12.986 1.00 0.00 H new ATOM 0 HG3 ARG A 71 1.869 4.987 13.542 1.00 0.00 H new ATOM 0 HD2 ARG A 71 0.458 5.447 15.424 1.00 0.00 H new ATOM 0 HD3 ARG A 71 1.121 6.986 14.911 1.00 0.00 H new ATOM 0 HE ARG A 71 -1.041 7.729 14.680 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -1.258 4.217 14.395 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -2.948 4.298 13.886 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -3.144 7.702 13.811 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -3.948 6.146 13.576 1.00 0.00 H new ATOM 1360 N LEU A 72 -0.955 5.662 9.179 1.00 0.00 N ATOM 1361 CA LEU A 72 -2.288 5.867 8.578 1.00 0.00 C ATOM 1362 C LEU A 72 -3.362 4.874 9.070 1.00 0.00 C ATOM 1363 O LEU A 72 -4.535 5.011 8.718 1.00 0.00 O ATOM 1364 CB LEU A 72 -2.185 5.868 7.037 1.00 0.00 C ATOM 1365 CG LEU A 72 -1.131 6.822 6.448 1.00 0.00 C ATOM 1366 CD1 LEU A 72 -1.053 6.653 4.932 1.00 0.00 C ATOM 1367 CD2 LEU A 72 -1.451 8.282 6.758 1.00 0.00 C ATOM 0 H LEU A 72 -0.305 5.173 8.564 1.00 0.00 H new ATOM 0 HA LEU A 72 -2.630 6.844 8.918 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -1.960 4.855 6.704 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -3.159 6.130 6.625 1.00 0.00 H new ATOM 0 HG LEU A 72 -0.177 6.566 6.908 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -0.304 7.334 4.528 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -0.776 5.626 4.694 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -2.024 6.879 4.490 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -0.683 8.923 6.325 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -2.421 8.540 6.333 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -1.478 8.427 7.838 1.00 0.00 H new ATOM 1379 N TYR A 73 -2.985 3.869 9.865 1.00 0.00 N ATOM 1380 CA TYR A 73 -3.923 2.926 10.492 1.00 0.00 C ATOM 1381 C TYR A 73 -4.723 3.497 11.677 1.00 0.00 C ATOM 1382 O TYR A 73 -4.226 4.373 12.391 1.00 0.00 O ATOM 1383 CB TYR A 73 -3.238 1.599 10.848 1.00 0.00 C ATOM 1384 CG TYR A 73 -1.969 1.737 11.672 1.00 0.00 C ATOM 1385 CD1 TYR A 73 -0.729 1.996 11.052 1.00 0.00 C ATOM 1386 CD2 TYR A 73 -2.037 1.592 13.071 1.00 0.00 C ATOM 1387 CE1 TYR A 73 0.436 2.126 11.834 1.00 0.00 C ATOM 1388 CE2 TYR A 73 -0.871 1.711 13.851 1.00 0.00 C ATOM 1389 CZ TYR A 73 0.368 1.978 13.235 1.00 0.00 C ATOM 1390 OH TYR A 73 1.485 2.115 13.999 1.00 0.00 O ATOM 0 H TYR A 73 -2.009 3.683 10.096 1.00 0.00 H new ATOM 0 HA TYR A 73 -4.674 2.729 9.727 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -3.945 0.977 11.397 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -2.999 1.071 9.925 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -0.672 2.095 9.978 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -2.985 1.389 13.546 1.00 0.00 H new ATOM 0 HE1 TYR A 73 1.383 2.339 11.360 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -0.926 1.597 14.924 1.00 0.00 H new ATOM 0 HH TYR A 73 1.228 2.221 14.939 1.00 0.00 H new ATOM 1400 N ASP A 74 -5.932 3.001 11.949 1.00 0.00 N ATOM 1401 CA ASP A 74 -6.629 3.341 13.199 1.00 0.00 C ATOM 1402 C ASP A 74 -5.920 2.763 14.441 1.00 0.00 C ATOM 1403 O ASP A 74 -5.597 1.575 14.478 1.00 0.00 O ATOM 1404 CB ASP A 74 -8.134 3.037 13.125 1.00 0.00 C ATOM 1405 CG ASP A 74 -8.904 3.160 14.451 1.00 0.00 C ATOM 1406 OD1 ASP A 74 -8.494 3.928 15.348 1.00 0.00 O ATOM 1407 OD2 ASP A 74 -9.949 2.489 14.587 1.00 0.00 O ATOM 0 H ASP A 74 -6.446 2.371 11.333 1.00 0.00 H new ATOM 0 HA ASP A 74 -6.568 4.422 13.324 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -8.587 3.712 12.399 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -8.263 2.024 12.743 1.00 0.00 H new ATOM 1412 N GLU A 75 -5.663 3.582 15.464 1.00 0.00 N ATOM 1413 CA GLU A 75 -5.055 3.127 16.721 1.00 0.00 C ATOM 1414 C GLU A 75 -5.915 2.078 17.457 1.00 0.00 C ATOM 1415 O GLU A 75 -5.359 1.203 18.131 1.00 0.00 O ATOM 1416 CB GLU A 75 -4.734 4.333 17.625 1.00 0.00 C ATOM 1417 CG GLU A 75 -5.962 5.139 18.089 1.00 0.00 C ATOM 1418 CD GLU A 75 -5.607 6.374 18.948 1.00 0.00 C ATOM 1419 OE1 GLU A 75 -4.426 6.574 19.326 1.00 0.00 O ATOM 1420 OE2 GLU A 75 -6.530 7.163 19.266 1.00 0.00 O ATOM 0 H GLU A 75 -5.870 4.581 15.446 1.00 0.00 H new ATOM 0 HA GLU A 75 -4.123 2.623 16.467 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -4.197 3.977 18.504 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -4.060 5.001 17.089 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -6.523 5.466 17.213 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -6.619 4.485 18.663 1.00 0.00 H new ATOM 1427 N LYS A 76 -7.247 2.115 17.293 1.00 0.00 N ATOM 1428 CA LYS A 76 -8.181 1.091 17.795 1.00 0.00 C ATOM 1429 C LYS A 76 -8.242 -0.111 16.853 1.00 0.00 C ATOM 1430 O LYS A 76 -7.772 -1.197 17.197 1.00 0.00 O ATOM 1431 CB LYS A 76 -9.582 1.681 18.051 1.00 0.00 C ATOM 1432 CG LYS A 76 -9.543 2.845 19.048 1.00 0.00 C ATOM 1433 CD LYS A 76 -10.933 3.381 19.426 1.00 0.00 C ATOM 1434 CE LYS A 76 -11.765 2.359 20.214 1.00 0.00 C ATOM 1435 NZ LYS A 76 -13.074 2.928 20.631 1.00 0.00 N ATOM 0 H LYS A 76 -7.716 2.873 16.797 1.00 0.00 H new ATOM 0 HA LYS A 76 -7.799 0.739 18.753 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -10.008 2.025 17.109 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -10.240 0.900 18.432 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -9.030 2.520 19.953 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -8.954 3.657 18.622 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -10.820 4.288 20.021 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -11.470 3.660 18.519 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -11.931 1.473 19.601 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -11.209 2.038 21.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -13.611 2.212 21.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -12.915 3.759 21.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -13.613 3.212 19.788 1.00 0.00 H new ATOM 1449 N GLN A 77 -8.794 0.085 15.656 1.00 0.00 N ATOM 1450 CA GLN A 77 -8.874 -0.937 14.607 1.00 0.00 C ATOM 1451 C GLN A 77 -7.569 -0.995 13.795 1.00 0.00 C ATOM 1452 O GLN A 77 -7.472 -0.462 12.689 1.00 0.00 O ATOM 1453 CB GLN A 77 -10.109 -0.727 13.712 1.00 0.00 C ATOM 1454 CG GLN A 77 -11.456 -0.665 14.455 1.00 0.00 C ATOM 1455 CD GLN A 77 -11.793 -1.896 15.300 1.00 0.00 C ATOM 1456 OE1 GLN A 77 -11.233 -2.976 15.166 1.00 0.00 O ATOM 1457 NE2 GLN A 77 -12.742 -1.788 16.207 1.00 0.00 N ATOM 0 H GLN A 77 -9.207 0.976 15.381 1.00 0.00 H new ATOM 0 HA GLN A 77 -8.997 -1.907 15.088 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -9.978 0.199 13.152 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -10.151 -1.537 12.983 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -11.455 0.211 15.103 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -12.250 -0.519 13.723 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -13.224 -0.898 16.338 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -12.995 -2.594 16.779 1.00 0.00 H new ATOM 1466 N GLN A 78 -6.566 -1.693 14.336 1.00 0.00 N ATOM 1467 CA GLN A 78 -5.227 -1.838 13.741 1.00 0.00 C ATOM 1468 C GLN A 78 -5.262 -2.468 12.335 1.00 0.00 C ATOM 1469 O GLN A 78 -4.361 -2.257 11.524 1.00 0.00 O ATOM 1470 CB GLN A 78 -4.367 -2.697 14.686 1.00 0.00 C ATOM 1471 CG GLN A 78 -4.083 -2.023 16.043 1.00 0.00 C ATOM 1472 CD GLN A 78 -2.976 -0.974 15.990 1.00 0.00 C ATOM 1473 OE1 GLN A 78 -1.981 -1.113 15.292 1.00 0.00 O ATOM 1474 NE2 GLN A 78 -3.052 0.074 16.778 1.00 0.00 N ATOM 0 H GLN A 78 -6.662 -2.187 15.223 1.00 0.00 H new ATOM 0 HA GLN A 78 -4.799 -0.843 13.620 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -4.871 -3.647 14.860 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -3.420 -2.924 14.197 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -4.998 -1.554 16.404 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -3.810 -2.789 16.769 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -3.873 0.210 17.368 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -2.290 0.752 16.799 1.00 0.00 H new ATOM 1483 N HIS A 79 -6.323 -3.222 12.035 1.00 0.00 N ATOM 1484 CA HIS A 79 -6.575 -3.864 10.748 1.00 0.00 C ATOM 1485 C HIS A 79 -7.251 -2.952 9.700 1.00 0.00 C ATOM 1486 O HIS A 79 -7.620 -3.444 8.634 1.00 0.00 O ATOM 1487 CB HIS A 79 -7.384 -5.143 11.005 1.00 0.00 C ATOM 1488 CG HIS A 79 -8.847 -4.936 11.318 1.00 0.00 C ATOM 1489 ND1 HIS A 79 -9.412 -4.756 12.563 1.00 0.00 N ATOM 1490 CD2 HIS A 79 -9.875 -4.992 10.415 1.00 0.00 C ATOM 1491 CE1 HIS A 79 -10.746 -4.694 12.412 1.00 0.00 C ATOM 1492 NE2 HIS A 79 -11.079 -4.858 11.120 1.00 0.00 N ATOM 0 H HIS A 79 -7.061 -3.408 12.715 1.00 0.00 H new ATOM 0 HA HIS A 79 -5.612 -4.103 10.297 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -7.306 -5.784 10.127 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -6.926 -5.681 11.835 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -9.775 -5.117 9.347 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -11.451 -4.535 13.215 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -12.021 -4.880 10.730 1.00 0.00 H new ATOM 1500 N ILE A 80 -7.448 -1.653 9.967 1.00 0.00 N ATOM 1501 CA ILE A 80 -8.077 -0.691 9.042 1.00 0.00 C ATOM 1502 C ILE A 80 -7.164 0.526 8.831 1.00 0.00 C ATOM 1503 O ILE A 80 -6.684 1.129 9.794 1.00 0.00 O ATOM 1504 CB ILE A 80 -9.487 -0.268 9.525 1.00 0.00 C ATOM 1505 CG1 ILE A 80 -10.362 -1.487 9.903 1.00 0.00 C ATOM 1506 CG2 ILE A 80 -10.190 0.583 8.448 1.00 0.00 C ATOM 1507 CD1 ILE A 80 -11.774 -1.134 10.387 1.00 0.00 C ATOM 0 H ILE A 80 -7.169 -1.229 10.852 1.00 0.00 H new ATOM 0 HA ILE A 80 -8.210 -1.187 8.080 1.00 0.00 H new ATOM 0 HB ILE A 80 -9.356 0.331 10.426 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -10.443 -2.143 9.036 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -9.855 -2.053 10.685 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -11.179 0.873 8.802 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -9.600 1.477 8.248 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -10.288 0.001 7.531 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -12.315 -2.049 10.629 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -11.708 -0.506 11.275 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -12.304 -0.596 9.601 1.00 0.00 H new ATOM 1519 N VAL A 81 -6.944 0.902 7.567 1.00 0.00 N ATOM 1520 CA VAL A 81 -6.181 2.092 7.150 1.00 0.00 C ATOM 1521 C VAL A 81 -7.105 3.202 6.645 1.00 0.00 C ATOM 1522 O VAL A 81 -8.087 2.938 5.953 1.00 0.00 O ATOM 1523 CB VAL A 81 -5.066 1.709 6.157 1.00 0.00 C ATOM 1524 CG1 VAL A 81 -5.598 1.152 4.846 1.00 0.00 C ATOM 1525 CG2 VAL A 81 -4.141 2.875 5.805 1.00 0.00 C ATOM 0 H VAL A 81 -7.304 0.370 6.775 1.00 0.00 H new ATOM 0 HA VAL A 81 -5.678 2.509 8.023 1.00 0.00 H new ATOM 0 HB VAL A 81 -4.507 0.940 6.691 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -4.763 0.902 4.191 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -6.185 0.255 5.043 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -6.227 1.899 4.362 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -3.380 2.536 5.102 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -4.723 3.677 5.351 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -3.660 3.244 6.711 1.00 0.00 H new ATOM 1535 N TYR A 82 -6.785 4.448 7.007 1.00 0.00 N ATOM 1536 CA TYR A 82 -7.581 5.658 6.778 1.00 0.00 C ATOM 1537 C TYR A 82 -7.015 6.657 5.759 1.00 0.00 C ATOM 1538 O TYR A 82 -6.689 7.801 6.086 1.00 0.00 O ATOM 1539 CB TYR A 82 -8.085 6.251 8.101 1.00 0.00 C ATOM 1540 CG TYR A 82 -9.213 5.447 8.722 1.00 0.00 C ATOM 1541 CD1 TYR A 82 -8.915 4.351 9.553 1.00 0.00 C ATOM 1542 CD2 TYR A 82 -10.555 5.778 8.446 1.00 0.00 C ATOM 1543 CE1 TYR A 82 -9.956 3.585 10.108 1.00 0.00 C ATOM 1544 CE2 TYR A 82 -11.600 5.014 9.003 1.00 0.00 C ATOM 1545 CZ TYR A 82 -11.302 3.913 9.838 1.00 0.00 C ATOM 1546 OH TYR A 82 -12.302 3.169 10.383 1.00 0.00 O ATOM 0 H TYR A 82 -5.913 4.651 7.496 1.00 0.00 H new ATOM 0 HA TYR A 82 -8.471 5.335 6.237 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -7.256 6.307 8.806 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -8.426 7.272 7.928 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -7.887 4.098 9.765 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -10.783 6.618 7.807 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -9.725 2.743 10.743 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -12.628 5.270 8.792 1.00 0.00 H new ATOM 0 HH TYR A 82 -13.169 3.528 10.099 1.00 0.00 H new ATOM 1556 N CYS A 83 -6.848 6.183 4.524 1.00 0.00 N ATOM 1557 CA CYS A 83 -6.322 6.896 3.356 1.00 0.00 C ATOM 1558 C CYS A 83 -7.216 8.039 2.807 1.00 0.00 C ATOM 1559 O CYS A 83 -7.521 8.105 1.613 1.00 0.00 O ATOM 1560 CB CYS A 83 -5.940 5.841 2.306 1.00 0.00 C ATOM 1561 SG CYS A 83 -7.286 4.665 1.963 1.00 0.00 S ATOM 0 H CYS A 83 -7.095 5.220 4.295 1.00 0.00 H new ATOM 0 HA CYS A 83 -5.440 7.457 3.665 1.00 0.00 H new ATOM 0 HB2 CYS A 83 -5.658 6.342 1.380 1.00 0.00 H new ATOM 0 HB3 CYS A 83 -5.064 5.292 2.651 1.00 0.00 H new ATOM 0 HG CYS A 83 -8.130 5.201 1.132 1.00 0.00 H new ATOM 1567 N SER A 84 -7.694 8.929 3.680 1.00 0.00 N ATOM 1568 CA SER A 84 -8.593 10.036 3.331 1.00 0.00 C ATOM 1569 C SER A 84 -7.820 11.272 2.849 1.00 0.00 C ATOM 1570 O SER A 84 -6.967 11.801 3.568 1.00 0.00 O ATOM 1571 CB SER A 84 -9.486 10.378 4.526 1.00 0.00 C ATOM 1572 OG SER A 84 -10.404 11.400 4.173 1.00 0.00 O ATOM 0 H SER A 84 -7.462 8.901 4.673 1.00 0.00 H new ATOM 0 HA SER A 84 -9.220 9.713 2.500 1.00 0.00 H new ATOM 0 HB2 SER A 84 -10.027 9.489 4.852 1.00 0.00 H new ATOM 0 HB3 SER A 84 -8.873 10.704 5.366 1.00 0.00 H new ATOM 0 HG SER A 84 -10.972 11.610 4.944 1.00 0.00 H new ATOM 1578 N ASN A 85 -8.147 11.752 1.641 1.00 0.00 N ATOM 1579 CA ASN A 85 -7.643 12.998 1.035 1.00 0.00 C ATOM 1580 C ASN A 85 -6.099 13.127 0.952 1.00 0.00 C ATOM 1581 O ASN A 85 -5.559 14.237 0.935 1.00 0.00 O ATOM 1582 CB ASN A 85 -8.346 14.211 1.687 1.00 0.00 C ATOM 1583 CG ASN A 85 -9.859 14.217 1.513 1.00 0.00 C ATOM 1584 OD1 ASN A 85 -10.416 13.701 0.552 1.00 0.00 O ATOM 1585 ND2 ASN A 85 -10.577 14.854 2.411 1.00 0.00 N ATOM 0 H ASN A 85 -8.800 11.262 1.030 1.00 0.00 H new ATOM 0 HA ASN A 85 -7.912 12.967 -0.021 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -8.113 14.224 2.752 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -7.938 15.127 1.260 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -11.590 14.916 2.304 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -10.122 15.287 3.215 1.00 0.00 H new ATOM 1592 N ASP A 86 -5.380 12.002 0.901 1.00 0.00 N ATOM 1593 CA ASP A 86 -3.914 11.911 0.826 1.00 0.00 C ATOM 1594 C ASP A 86 -3.404 11.169 -0.431 1.00 0.00 C ATOM 1595 O ASP A 86 -4.194 10.709 -1.262 1.00 0.00 O ATOM 1596 CB ASP A 86 -3.353 11.333 2.142 1.00 0.00 C ATOM 1597 CG ASP A 86 -3.932 9.966 2.550 1.00 0.00 C ATOM 1598 OD1 ASP A 86 -4.377 9.202 1.664 1.00 0.00 O ATOM 1599 OD2 ASP A 86 -3.887 9.640 3.758 1.00 0.00 O ATOM 0 H ASP A 86 -5.824 11.084 0.911 1.00 0.00 H new ATOM 0 HA ASP A 86 -3.527 12.923 0.710 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -2.271 11.239 2.048 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -3.543 12.046 2.945 1.00 0.00 H new ATOM 1604 N LEU A 87 -2.078 11.043 -0.580 1.00 0.00 N ATOM 1605 CA LEU A 87 -1.452 10.295 -1.680 1.00 0.00 C ATOM 1606 C LEU A 87 -1.944 8.836 -1.735 1.00 0.00 C ATOM 1607 O LEU A 87 -2.238 8.325 -2.814 1.00 0.00 O ATOM 1608 CB LEU A 87 0.080 10.387 -1.536 1.00 0.00 C ATOM 1609 CG LEU A 87 0.882 9.580 -2.578 1.00 0.00 C ATOM 1610 CD1 LEU A 87 0.617 10.036 -4.013 1.00 0.00 C ATOM 1611 CD2 LEU A 87 2.377 9.749 -2.308 1.00 0.00 C ATOM 0 H LEU A 87 -1.405 11.460 0.063 1.00 0.00 H new ATOM 0 HA LEU A 87 -1.745 10.741 -2.630 1.00 0.00 H new ATOM 0 HB2 LEU A 87 0.374 11.434 -1.605 1.00 0.00 H new ATOM 0 HB3 LEU A 87 0.358 10.043 -0.540 1.00 0.00 H new ATOM 0 HG LEU A 87 0.565 8.542 -2.482 1.00 0.00 H new ATOM 0 HD11 LEU A 87 1.208 9.433 -4.702 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -0.442 9.917 -4.243 1.00 0.00 H new ATOM 0 HD13 LEU A 87 0.895 11.085 -4.119 1.00 0.00 H new ATOM 0 HD21 LEU A 87 2.946 9.180 -3.043 1.00 0.00 H new ATOM 0 HD22 LEU A 87 2.643 10.804 -2.381 1.00 0.00 H new ATOM 0 HD23 LEU A 87 2.610 9.384 -1.307 1.00 0.00 H new ATOM 1623 N LEU A 88 -2.096 8.177 -0.581 1.00 0.00 N ATOM 1624 CA LEU A 88 -2.591 6.801 -0.516 1.00 0.00 C ATOM 1625 C LEU A 88 -4.046 6.667 -0.998 1.00 0.00 C ATOM 1626 O LEU A 88 -4.380 5.705 -1.690 1.00 0.00 O ATOM 1627 CB LEU A 88 -2.402 6.270 0.913 1.00 0.00 C ATOM 1628 CG LEU A 88 -2.723 4.773 1.055 1.00 0.00 C ATOM 1629 CD1 LEU A 88 -1.831 3.933 0.148 1.00 0.00 C ATOM 1630 CD2 LEU A 88 -2.466 4.292 2.481 1.00 0.00 C ATOM 0 H LEU A 88 -1.880 8.582 0.330 1.00 0.00 H new ATOM 0 HA LEU A 88 -2.008 6.190 -1.205 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -1.372 6.444 1.224 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -3.040 6.837 1.591 1.00 0.00 H new ATOM 0 HG LEU A 88 -3.773 4.656 0.786 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -2.079 2.879 0.269 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -1.988 4.226 -0.890 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -0.787 4.093 0.416 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -2.701 3.230 2.555 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -1.418 4.450 2.735 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -3.096 4.852 3.173 1.00 0.00 H new ATOM 1642 N GLY A 89 -4.893 7.652 -0.693 1.00 0.00 N ATOM 1643 CA GLY A 89 -6.247 7.769 -1.235 1.00 0.00 C ATOM 1644 C GLY A 89 -6.271 7.970 -2.754 1.00 0.00 C ATOM 1645 O GLY A 89 -7.138 7.417 -3.431 1.00 0.00 O ATOM 0 H GLY A 89 -4.651 8.405 -0.049 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -6.811 6.871 -0.984 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -6.753 8.607 -0.756 1.00 0.00 H new ATOM 1649 N ASP A 90 -5.288 8.685 -3.310 1.00 0.00 N ATOM 1650 CA ASP A 90 -5.086 8.797 -4.759 1.00 0.00 C ATOM 1651 C ASP A 90 -4.653 7.500 -5.464 1.00 0.00 C ATOM 1652 O ASP A 90 -5.061 7.248 -6.601 1.00 0.00 O ATOM 1653 CB ASP A 90 -4.184 9.993 -5.121 1.00 0.00 C ATOM 1654 CG ASP A 90 -4.853 11.377 -5.007 1.00 0.00 C ATOM 1655 OD1 ASP A 90 -6.098 11.482 -4.878 1.00 0.00 O ATOM 1656 OD2 ASP A 90 -4.120 12.392 -5.096 1.00 0.00 O ATOM 0 H ASP A 90 -4.604 9.207 -2.763 1.00 0.00 H new ATOM 0 HA ASP A 90 -6.080 8.993 -5.160 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -3.308 9.976 -4.473 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -3.827 9.863 -6.143 1.00 0.00 H new ATOM 1661 N LEU A 91 -3.879 6.643 -4.781 1.00 0.00 N ATOM 1662 CA LEU A 91 -3.567 5.287 -5.236 1.00 0.00 C ATOM 1663 C LEU A 91 -4.783 4.349 -5.151 1.00 0.00 C ATOM 1664 O LEU A 91 -5.174 3.761 -6.162 1.00 0.00 O ATOM 1665 CB LEU A 91 -2.389 4.720 -4.412 1.00 0.00 C ATOM 1666 CG LEU A 91 -0.969 5.018 -4.918 1.00 0.00 C ATOM 1667 CD1 LEU A 91 -0.787 4.678 -6.398 1.00 0.00 C ATOM 1668 CD2 LEU A 91 -0.511 6.448 -4.664 1.00 0.00 C ATOM 0 H LEU A 91 -3.449 6.879 -3.887 1.00 0.00 H new ATOM 0 HA LEU A 91 -3.285 5.346 -6.287 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -2.473 5.104 -3.395 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -2.507 3.638 -4.355 1.00 0.00 H new ATOM 0 HG LEU A 91 -0.334 4.360 -4.324 1.00 0.00 H new ATOM 0 HD11 LEU A 91 0.234 4.909 -6.701 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -0.981 3.617 -6.554 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -1.484 5.266 -6.995 1.00 0.00 H new ATOM 0 HD21 LEU A 91 0.500 6.580 -5.049 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -1.185 7.141 -5.168 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -0.520 6.648 -3.593 1.00 0.00 H new ATOM 1680 N PHE A 92 -5.371 4.183 -3.961 1.00 0.00 N ATOM 1681 CA PHE A 92 -6.471 3.239 -3.723 1.00 0.00 C ATOM 1682 C PHE A 92 -7.878 3.607 -4.222 1.00 0.00 C ATOM 1683 O PHE A 92 -8.703 2.724 -4.459 1.00 0.00 O ATOM 1684 CB PHE A 92 -6.461 2.717 -2.277 1.00 0.00 C ATOM 1685 CG PHE A 92 -5.440 1.633 -1.983 1.00 0.00 C ATOM 1686 CD1 PHE A 92 -5.565 0.371 -2.592 1.00 0.00 C ATOM 1687 CD2 PHE A 92 -4.414 1.847 -1.047 1.00 0.00 C ATOM 1688 CE1 PHE A 92 -4.678 -0.672 -2.267 1.00 0.00 C ATOM 1689 CE2 PHE A 92 -3.540 0.800 -0.700 1.00 0.00 C ATOM 1690 CZ PHE A 92 -3.669 -0.460 -1.314 1.00 0.00 C ATOM 0 H PHE A 92 -5.095 4.704 -3.129 1.00 0.00 H new ATOM 0 HA PHE A 92 -6.231 2.424 -4.405 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -6.277 3.557 -1.607 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -7.453 2.332 -2.041 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -6.349 0.201 -3.315 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -4.296 2.819 -0.592 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -4.773 -1.633 -2.750 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -2.769 0.964 0.039 1.00 0.00 H new ATOM 0 HZ PHE A 92 -2.994 -1.261 -1.053 1.00 0.00 H new ATOM 1700 N GLY A 93 -8.168 4.900 -4.396 1.00 0.00 N ATOM 1701 CA GLY A 93 -9.480 5.395 -4.839 1.00 0.00 C ATOM 1702 C GLY A 93 -10.592 5.321 -3.778 1.00 0.00 C ATOM 1703 O GLY A 93 -11.772 5.393 -4.128 1.00 0.00 O ATOM 0 H GLY A 93 -7.490 5.644 -4.231 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -9.372 6.431 -5.159 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -9.792 4.822 -5.712 1.00 0.00 H new ATOM 1707 N VAL A 94 -10.237 5.171 -2.495 1.00 0.00 N ATOM 1708 CA VAL A 94 -11.163 5.078 -1.346 1.00 0.00 C ATOM 1709 C VAL A 94 -10.595 5.881 -0.161 1.00 0.00 C ATOM 1710 O VAL A 94 -9.374 6.004 -0.038 1.00 0.00 O ATOM 1711 CB VAL A 94 -11.377 3.616 -0.884 1.00 0.00 C ATOM 1712 CG1 VAL A 94 -12.349 2.883 -1.808 1.00 0.00 C ATOM 1713 CG2 VAL A 94 -10.091 2.787 -0.764 1.00 0.00 C ATOM 0 H VAL A 94 -9.259 5.108 -2.212 1.00 0.00 H new ATOM 0 HA VAL A 94 -12.122 5.481 -1.672 1.00 0.00 H new ATOM 0 HB VAL A 94 -11.791 3.708 0.120 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -12.480 1.859 -1.459 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -13.312 3.394 -1.803 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -11.949 2.873 -2.822 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -10.338 1.778 -0.435 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -9.596 2.741 -1.734 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -9.425 3.252 -0.038 1.00 0.00 H new ATOM 1723 N PRO A 95 -11.454 6.407 0.738 1.00 0.00 N ATOM 1724 CA PRO A 95 -11.035 7.135 1.943 1.00 0.00 C ATOM 1725 C PRO A 95 -10.498 6.225 3.064 1.00 0.00 C ATOM 1726 O PRO A 95 -9.828 6.706 3.980 1.00 0.00 O ATOM 1727 CB PRO A 95 -12.297 7.875 2.403 1.00 0.00 C ATOM 1728 CG PRO A 95 -13.425 6.939 1.966 1.00 0.00 C ATOM 1729 CD PRO A 95 -12.910 6.392 0.640 1.00 0.00 C ATOM 0 HA PRO A 95 -10.201 7.798 1.715 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -12.300 8.035 3.481 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -12.383 8.856 1.935 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -13.597 6.145 2.693 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -14.369 7.471 1.846 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -13.279 5.381 0.465 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -13.251 7.005 -0.194 1.00 0.00 H new ATOM 1737 N SER A 96 -10.802 4.926 3.026 1.00 0.00 N ATOM 1738 CA SER A 96 -10.343 3.909 3.983 1.00 0.00 C ATOM 1739 C SER A 96 -10.596 2.489 3.461 1.00 0.00 C ATOM 1740 O SER A 96 -11.449 2.292 2.587 1.00 0.00 O ATOM 1741 CB SER A 96 -11.048 4.082 5.341 1.00 0.00 C ATOM 1742 OG SER A 96 -12.456 3.937 5.223 1.00 0.00 O ATOM 0 H SER A 96 -11.400 4.534 2.298 1.00 0.00 H new ATOM 0 HA SER A 96 -9.269 4.049 4.109 1.00 0.00 H new ATOM 0 HB2 SER A 96 -10.664 3.346 6.047 1.00 0.00 H new ATOM 0 HB3 SER A 96 -10.816 5.066 5.749 1.00 0.00 H new ATOM 0 HG SER A 96 -12.872 4.051 6.103 1.00 0.00 H new ATOM 1748 N PHE A 97 -9.886 1.487 3.996 1.00 0.00 N ATOM 1749 CA PHE A 97 -10.199 0.070 3.755 1.00 0.00 C ATOM 1750 C PHE A 97 -9.679 -0.838 4.884 1.00 0.00 C ATOM 1751 O PHE A 97 -8.685 -0.536 5.551 1.00 0.00 O ATOM 1752 CB PHE A 97 -9.651 -0.408 2.394 1.00 0.00 C ATOM 1753 CG PHE A 97 -8.140 -0.430 2.258 1.00 0.00 C ATOM 1754 CD1 PHE A 97 -7.439 0.702 1.800 1.00 0.00 C ATOM 1755 CD2 PHE A 97 -7.431 -1.598 2.599 1.00 0.00 C ATOM 1756 CE1 PHE A 97 -6.037 0.664 1.701 1.00 0.00 C ATOM 1757 CE2 PHE A 97 -6.029 -1.627 2.518 1.00 0.00 C ATOM 1758 CZ PHE A 97 -5.332 -0.500 2.065 1.00 0.00 C ATOM 0 H PHE A 97 -9.082 1.633 4.606 1.00 0.00 H new ATOM 0 HA PHE A 97 -11.286 -0.006 3.737 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -10.028 -1.413 2.205 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -10.057 0.236 1.614 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -7.977 1.597 1.525 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -7.968 -2.476 2.925 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -5.499 1.530 1.345 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -5.489 -2.517 2.805 1.00 0.00 H new ATOM 0 HZ PHE A 97 -4.255 -0.523 1.995 1.00 0.00 H new ATOM 1768 N SER A 98 -10.346 -1.979 5.082 1.00 0.00 N ATOM 1769 CA SER A 98 -9.889 -3.071 5.949 1.00 0.00 C ATOM 1770 C SER A 98 -8.837 -3.954 5.259 1.00 0.00 C ATOM 1771 O SER A 98 -9.038 -4.454 4.150 1.00 0.00 O ATOM 1772 CB SER A 98 -11.083 -3.898 6.441 1.00 0.00 C ATOM 1773 OG SER A 98 -11.855 -4.389 5.355 1.00 0.00 O ATOM 0 H SER A 98 -11.241 -2.174 4.633 1.00 0.00 H new ATOM 0 HA SER A 98 -9.400 -2.626 6.815 1.00 0.00 H new ATOM 0 HB2 SER A 98 -10.726 -4.734 7.043 1.00 0.00 H new ATOM 0 HB3 SER A 98 -11.711 -3.285 7.088 1.00 0.00 H new ATOM 0 HG SER A 98 -11.533 -5.279 5.101 1.00 0.00 H new ATOM 1779 N VAL A 99 -7.705 -4.153 5.935 1.00 0.00 N ATOM 1780 CA VAL A 99 -6.508 -4.880 5.464 1.00 0.00 C ATOM 1781 C VAL A 99 -6.729 -6.405 5.400 1.00 0.00 C ATOM 1782 O VAL A 99 -6.041 -7.102 4.654 1.00 0.00 O ATOM 1783 CB VAL A 99 -5.303 -4.499 6.349 1.00 0.00 C ATOM 1784 CG1 VAL A 99 -3.985 -5.184 5.974 1.00 0.00 C ATOM 1785 CG2 VAL A 99 -5.038 -2.981 6.314 1.00 0.00 C ATOM 0 H VAL A 99 -7.584 -3.793 6.882 1.00 0.00 H new ATOM 0 HA VAL A 99 -6.300 -4.579 4.437 1.00 0.00 H new ATOM 0 HB VAL A 99 -5.599 -4.842 7.340 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -3.198 -4.854 6.651 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -4.101 -6.265 6.053 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -3.717 -4.922 4.951 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -4.183 -2.746 6.948 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -4.827 -2.672 5.290 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -5.917 -2.450 6.679 1.00 0.00 H new ATOM 1795 N LYS A 100 -7.719 -6.930 6.138 1.00 0.00 N ATOM 1796 CA LYS A 100 -8.067 -8.366 6.205 1.00 0.00 C ATOM 1797 C LYS A 100 -8.445 -9.004 4.862 1.00 0.00 C ATOM 1798 O LYS A 100 -8.184 -10.187 4.646 1.00 0.00 O ATOM 1799 CB LYS A 100 -9.232 -8.562 7.193 1.00 0.00 C ATOM 1800 CG LYS A 100 -8.813 -8.386 8.659 1.00 0.00 C ATOM 1801 CD LYS A 100 -10.038 -8.446 9.582 1.00 0.00 C ATOM 1802 CE LYS A 100 -9.622 -8.356 11.055 1.00 0.00 C ATOM 1803 NZ LYS A 100 -10.797 -8.132 11.937 1.00 0.00 N ATOM 0 H LYS A 100 -8.321 -6.352 6.725 1.00 0.00 H new ATOM 0 HA LYS A 100 -7.160 -8.872 6.535 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -10.023 -7.849 6.959 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -9.651 -9.559 7.058 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -8.104 -9.166 8.936 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -8.303 -7.431 8.785 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -10.719 -7.629 9.342 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -10.582 -9.375 9.410 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -9.115 -9.275 11.348 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -8.908 -7.543 11.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -10.487 -8.110 12.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -11.246 -7.226 11.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -11.482 -8.904 11.806 1.00 0.00 H new ATOM 1817 N GLU A 101 -9.098 -8.253 3.976 1.00 0.00 N ATOM 1818 CA GLU A 101 -9.664 -8.776 2.726 1.00 0.00 C ATOM 1819 C GLU A 101 -8.631 -8.833 1.585 1.00 0.00 C ATOM 1820 O GLU A 101 -8.428 -7.865 0.848 1.00 0.00 O ATOM 1821 CB GLU A 101 -10.937 -7.995 2.356 1.00 0.00 C ATOM 1822 CG GLU A 101 -12.091 -8.344 3.316 1.00 0.00 C ATOM 1823 CD GLU A 101 -13.427 -7.650 2.975 1.00 0.00 C ATOM 1824 OE1 GLU A 101 -13.441 -6.661 2.203 1.00 0.00 O ATOM 1825 OE2 GLU A 101 -14.478 -8.079 3.510 1.00 0.00 O ATOM 0 H GLU A 101 -9.252 -7.253 4.104 1.00 0.00 H new ATOM 0 HA GLU A 101 -9.951 -9.815 2.889 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -10.737 -6.924 2.395 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -11.227 -8.228 1.331 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -12.242 -9.423 3.308 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -11.801 -8.071 4.330 1.00 0.00 H new ATOM 1832 N HIS A 102 -8.003 -10.004 1.426 1.00 0.00 N ATOM 1833 CA HIS A 102 -6.981 -10.295 0.409 1.00 0.00 C ATOM 1834 C HIS A 102 -7.419 -9.909 -1.015 1.00 0.00 C ATOM 1835 O HIS A 102 -6.742 -9.123 -1.680 1.00 0.00 O ATOM 1836 CB HIS A 102 -6.626 -11.793 0.473 1.00 0.00 C ATOM 1837 CG HIS A 102 -5.698 -12.186 1.597 1.00 0.00 C ATOM 1838 ND1 HIS A 102 -4.352 -12.456 1.482 1.00 0.00 N ATOM 1839 CD2 HIS A 102 -6.032 -12.387 2.911 1.00 0.00 C ATOM 1840 CE1 HIS A 102 -3.889 -12.813 2.690 1.00 0.00 C ATOM 1841 NE2 HIS A 102 -4.877 -12.784 3.600 1.00 0.00 N ATOM 0 H HIS A 102 -8.199 -10.807 2.024 1.00 0.00 H new ATOM 0 HA HIS A 102 -6.107 -9.684 0.633 1.00 0.00 H new ATOM 0 HB2 HIS A 102 -7.549 -12.365 0.568 1.00 0.00 H new ATOM 0 HB3 HIS A 102 -6.168 -12.082 -0.473 1.00 0.00 H new ATOM 0 HD1 HIS A 102 -3.802 -12.395 0.625 1.00 0.00 H new ATOM 0 HD2 HIS A 102 -7.015 -12.261 3.341 1.00 0.00 H new ATOM 0 HE1 HIS A 102 -2.865 -13.085 2.901 1.00 0.00 H new ATOM 1849 N ARG A 103 -8.582 -10.408 -1.466 1.00 0.00 N ATOM 1850 CA ARG A 103 -9.110 -10.210 -2.832 1.00 0.00 C ATOM 1851 C ARG A 103 -9.260 -8.730 -3.198 1.00 0.00 C ATOM 1852 O ARG A 103 -8.872 -8.324 -4.292 1.00 0.00 O ATOM 1853 CB ARG A 103 -10.455 -10.952 -2.954 1.00 0.00 C ATOM 1854 CG ARG A 103 -11.028 -10.928 -4.381 1.00 0.00 C ATOM 1855 CD ARG A 103 -12.379 -11.652 -4.441 1.00 0.00 C ATOM 1856 NE ARG A 103 -12.701 -12.069 -5.821 1.00 0.00 N ATOM 1857 CZ ARG A 103 -13.535 -11.498 -6.671 1.00 0.00 C ATOM 1858 NH1 ARG A 103 -14.161 -10.387 -6.401 1.00 0.00 N ATOM 1859 NH2 ARG A 103 -13.754 -12.044 -7.833 1.00 0.00 N ATOM 0 H ARG A 103 -9.197 -10.973 -0.880 1.00 0.00 H new ATOM 0 HA ARG A 103 -8.392 -10.620 -3.542 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -10.322 -11.987 -2.639 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -11.175 -10.501 -2.272 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -11.149 -9.896 -4.711 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -10.326 -11.402 -5.067 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -12.355 -12.526 -3.790 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -13.163 -10.996 -4.064 1.00 0.00 H new ATOM 0 HE ARG A 103 -12.219 -12.902 -6.160 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -14.015 -9.924 -5.504 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -14.797 -9.980 -7.087 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -13.282 -12.912 -8.086 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -14.398 -11.604 -8.490 1.00 0.00 H new ATOM 1873 N LYS A 104 -9.783 -7.928 -2.266 1.00 0.00 N ATOM 1874 CA LYS A 104 -10.002 -6.480 -2.413 1.00 0.00 C ATOM 1875 C LYS A 104 -8.692 -5.728 -2.668 1.00 0.00 C ATOM 1876 O LYS A 104 -8.601 -4.937 -3.605 1.00 0.00 O ATOM 1877 CB LYS A 104 -10.742 -5.985 -1.157 1.00 0.00 C ATOM 1878 CG LYS A 104 -10.957 -4.463 -1.114 1.00 0.00 C ATOM 1879 CD LYS A 104 -11.864 -4.044 0.049 1.00 0.00 C ATOM 1880 CE LYS A 104 -11.168 -4.208 1.407 1.00 0.00 C ATOM 1881 NZ LYS A 104 -12.159 -4.241 2.509 1.00 0.00 N ATOM 0 H LYS A 104 -10.077 -8.279 -1.354 1.00 0.00 H new ATOM 0 HA LYS A 104 -10.615 -6.279 -3.291 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -11.712 -6.480 -1.101 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -10.179 -6.287 -0.274 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -9.993 -3.963 -1.020 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -11.397 -4.132 -2.055 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -12.164 -3.004 -0.082 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -12.774 -4.643 0.033 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -10.583 -5.127 1.411 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -10.471 -3.385 1.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -11.664 -4.335 3.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -12.712 -3.360 2.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -12.798 -5.051 2.377 1.00 0.00 H new ATOM 1895 N ILE A 105 -7.660 -6.007 -1.876 1.00 0.00 N ATOM 1896 CA ILE A 105 -6.355 -5.341 -2.001 1.00 0.00 C ATOM 1897 C ILE A 105 -5.585 -5.856 -3.225 1.00 0.00 C ATOM 1898 O ILE A 105 -5.024 -5.058 -3.976 1.00 0.00 O ATOM 1899 CB ILE A 105 -5.570 -5.457 -0.677 1.00 0.00 C ATOM 1900 CG1 ILE A 105 -6.342 -4.692 0.426 1.00 0.00 C ATOM 1901 CG2 ILE A 105 -4.145 -4.890 -0.804 1.00 0.00 C ATOM 1902 CD1 ILE A 105 -5.938 -5.078 1.847 1.00 0.00 C ATOM 0 H ILE A 105 -7.699 -6.700 -1.128 1.00 0.00 H new ATOM 0 HA ILE A 105 -6.506 -4.277 -2.180 1.00 0.00 H new ATOM 0 HB ILE A 105 -5.479 -6.512 -0.420 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -6.182 -3.622 0.292 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -7.409 -4.873 0.301 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -3.627 -4.991 0.150 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -3.602 -5.440 -1.572 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -4.196 -3.837 -1.079 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -6.523 -4.499 2.562 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -6.124 -6.141 2.002 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -4.878 -4.870 1.993 1.00 0.00 H new ATOM 1914 N TYR A 106 -5.633 -7.163 -3.500 1.00 0.00 N ATOM 1915 CA TYR A 106 -5.041 -7.752 -4.704 1.00 0.00 C ATOM 1916 C TYR A 106 -5.644 -7.238 -6.024 1.00 0.00 C ATOM 1917 O TYR A 106 -4.910 -6.948 -6.970 1.00 0.00 O ATOM 1918 CB TYR A 106 -5.100 -9.285 -4.645 1.00 0.00 C ATOM 1919 CG TYR A 106 -4.311 -10.010 -3.560 1.00 0.00 C ATOM 1920 CD1 TYR A 106 -3.177 -9.445 -2.932 1.00 0.00 C ATOM 1921 CD2 TYR A 106 -4.732 -11.303 -3.187 1.00 0.00 C ATOM 1922 CE1 TYR A 106 -2.484 -10.163 -1.934 1.00 0.00 C ATOM 1923 CE2 TYR A 106 -4.036 -12.025 -2.201 1.00 0.00 C ATOM 1924 CZ TYR A 106 -2.914 -11.456 -1.568 1.00 0.00 C ATOM 1925 OH TYR A 106 -2.268 -12.159 -0.598 1.00 0.00 O ATOM 0 H TYR A 106 -6.086 -7.845 -2.891 1.00 0.00 H new ATOM 0 HA TYR A 106 -4.001 -7.425 -4.707 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -6.146 -9.571 -4.539 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -4.762 -9.665 -5.609 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -2.840 -8.460 -3.217 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -5.596 -11.743 -3.663 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -1.625 -9.723 -1.450 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -4.363 -13.018 -1.929 1.00 0.00 H new ATOM 0 HH TYR A 106 -1.450 -11.685 -0.340 1.00 0.00 H new ATOM 1935 N THR A 107 -6.971 -7.071 -6.086 1.00 0.00 N ATOM 1936 CA THR A 107 -7.650 -6.462 -7.242 1.00 0.00 C ATOM 1937 C THR A 107 -7.402 -4.963 -7.433 1.00 0.00 C ATOM 1938 O THR A 107 -7.230 -4.495 -8.560 1.00 0.00 O ATOM 1939 CB THR A 107 -9.127 -6.888 -7.356 1.00 0.00 C ATOM 1940 OG1 THR A 107 -9.533 -6.840 -8.707 1.00 0.00 O ATOM 1941 CG2 THR A 107 -10.105 -6.009 -6.580 1.00 0.00 C ATOM 0 H THR A 107 -7.605 -7.353 -5.339 1.00 0.00 H new ATOM 0 HA THR A 107 -7.153 -6.891 -8.112 1.00 0.00 H new ATOM 0 HB THR A 107 -9.161 -7.891 -6.931 1.00 0.00 H new ATOM 0 HG1 THR A 107 -10.472 -7.113 -8.776 1.00 0.00 H new ATOM 0 HG21 THR A 107 -11.119 -6.383 -6.718 1.00 0.00 H new ATOM 0 HG22 THR A 107 -9.852 -6.031 -5.520 1.00 0.00 H new ATOM 0 HG23 THR A 107 -10.043 -4.984 -6.947 1.00 0.00 H new ATOM 1949 N MET A 108 -7.262 -4.201 -6.339 1.00 0.00 N ATOM 1950 CA MET A 108 -6.807 -2.804 -6.409 1.00 0.00 C ATOM 1951 C MET A 108 -5.322 -2.665 -6.793 1.00 0.00 C ATOM 1952 O MET A 108 -4.957 -1.685 -7.443 1.00 0.00 O ATOM 1953 CB MET A 108 -7.114 -2.057 -5.104 1.00 0.00 C ATOM 1954 CG MET A 108 -8.622 -1.821 -4.935 1.00 0.00 C ATOM 1955 SD MET A 108 -9.104 -0.691 -3.595 1.00 0.00 S ATOM 1956 CE MET A 108 -8.512 -1.594 -2.141 1.00 0.00 C ATOM 0 H MET A 108 -7.458 -4.529 -5.393 1.00 0.00 H new ATOM 0 HA MET A 108 -7.373 -2.340 -7.217 1.00 0.00 H new ATOM 0 HB2 MET A 108 -6.737 -2.631 -4.257 1.00 0.00 H new ATOM 0 HB3 MET A 108 -6.592 -1.100 -5.099 1.00 0.00 H new ATOM 0 HG2 MET A 108 -9.016 -1.430 -5.873 1.00 0.00 H new ATOM 0 HG3 MET A 108 -9.104 -2.784 -4.763 1.00 0.00 H new ATOM 0 HE1 MET A 108 -9.349 -1.795 -1.472 1.00 0.00 H new ATOM 0 HE2 MET A 108 -8.064 -2.537 -2.456 1.00 0.00 H new ATOM 0 HE3 MET A 108 -7.766 -0.994 -1.619 1.00 0.00 H new ATOM 1966 N MET A 109 -4.470 -3.649 -6.486 1.00 0.00 N ATOM 1967 CA MET A 109 -3.064 -3.661 -6.920 1.00 0.00 C ATOM 1968 C MET A 109 -2.906 -3.774 -8.439 1.00 0.00 C ATOM 1969 O MET A 109 -2.000 -3.166 -9.006 1.00 0.00 O ATOM 1970 CB MET A 109 -2.277 -4.781 -6.212 1.00 0.00 C ATOM 1971 CG MET A 109 -1.568 -4.267 -4.960 1.00 0.00 C ATOM 1972 SD MET A 109 -0.268 -3.052 -5.326 1.00 0.00 S ATOM 1973 CE MET A 109 0.417 -2.825 -3.672 1.00 0.00 C ATOM 0 H MET A 109 -4.734 -4.462 -5.929 1.00 0.00 H new ATOM 0 HA MET A 109 -2.648 -2.696 -6.631 1.00 0.00 H new ATOM 0 HB2 MET A 109 -2.957 -5.588 -5.940 1.00 0.00 H new ATOM 0 HB3 MET A 109 -1.543 -5.201 -6.900 1.00 0.00 H new ATOM 0 HG2 MET A 109 -2.302 -3.815 -4.293 1.00 0.00 H new ATOM 0 HG3 MET A 109 -1.129 -5.110 -4.426 1.00 0.00 H new ATOM 0 HE1 MET A 109 0.826 -1.819 -3.582 1.00 0.00 H new ATOM 0 HE2 MET A 109 -0.369 -2.965 -2.930 1.00 0.00 H new ATOM 0 HE3 MET A 109 1.209 -3.555 -3.503 1.00 0.00 H new ATOM 1983 N ALA A 110 -3.818 -4.467 -9.124 1.00 0.00 N ATOM 1984 CA ALA A 110 -3.833 -4.544 -10.586 1.00 0.00 C ATOM 1985 C ALA A 110 -4.031 -3.162 -11.257 1.00 0.00 C ATOM 1986 O ALA A 110 -3.476 -2.899 -12.326 1.00 0.00 O ATOM 1987 CB ALA A 110 -4.930 -5.536 -10.979 1.00 0.00 C ATOM 0 H ALA A 110 -4.570 -4.993 -8.678 1.00 0.00 H new ATOM 0 HA ALA A 110 -2.863 -4.889 -10.945 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -4.972 -5.621 -12.065 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -4.709 -6.512 -10.547 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -5.891 -5.183 -10.605 1.00 0.00 H new ATOM 1993 N SER A 111 -4.754 -2.242 -10.600 1.00 0.00 N ATOM 1994 CA SER A 111 -4.899 -0.837 -11.024 1.00 0.00 C ATOM 1995 C SER A 111 -3.613 -0.012 -10.833 1.00 0.00 C ATOM 1996 O SER A 111 -3.444 1.039 -11.453 1.00 0.00 O ATOM 1997 CB SER A 111 -6.067 -0.201 -10.256 1.00 0.00 C ATOM 1998 OG SER A 111 -6.342 1.115 -10.711 1.00 0.00 O ATOM 0 H SER A 111 -5.264 -2.456 -9.743 1.00 0.00 H new ATOM 0 HA SER A 111 -5.102 -0.834 -12.095 1.00 0.00 H new ATOM 0 HB2 SER A 111 -6.957 -0.819 -10.371 1.00 0.00 H new ATOM 0 HB3 SER A 111 -5.832 -0.176 -9.192 1.00 0.00 H new ATOM 0 HG SER A 111 -7.091 1.487 -10.201 1.00 0.00 H new ATOM 2004 N MET A 112 -2.668 -0.469 -10.000 1.00 0.00 N ATOM 2005 CA MET A 112 -1.378 0.198 -9.756 1.00 0.00 C ATOM 2006 C MET A 112 -0.258 -0.220 -10.725 1.00 0.00 C ATOM 2007 O MET A 112 0.855 0.306 -10.645 1.00 0.00 O ATOM 2008 CB MET A 112 -0.943 0.018 -8.295 1.00 0.00 C ATOM 2009 CG MET A 112 -2.018 0.483 -7.313 1.00 0.00 C ATOM 2010 SD MET A 112 -1.463 0.604 -5.596 1.00 0.00 S ATOM 2011 CE MET A 112 -3.076 0.941 -4.856 1.00 0.00 C ATOM 0 H MET A 112 -2.780 -1.330 -9.465 1.00 0.00 H new ATOM 0 HA MET A 112 -1.548 1.257 -9.953 1.00 0.00 H new ATOM 0 HB2 MET A 112 -0.715 -1.032 -8.112 1.00 0.00 H new ATOM 0 HB3 MET A 112 -0.025 0.579 -8.119 1.00 0.00 H new ATOM 0 HG2 MET A 112 -2.386 1.458 -7.632 1.00 0.00 H new ATOM 0 HG3 MET A 112 -2.860 -0.208 -7.362 1.00 0.00 H new ATOM 0 HE1 MET A 112 -2.946 1.211 -3.808 1.00 0.00 H new ATOM 0 HE2 MET A 112 -3.555 1.764 -5.386 1.00 0.00 H new ATOM 0 HE3 MET A 112 -3.702 0.051 -4.927 1.00 0.00 H new ATOM 2021 N THR A 113 -0.541 -1.146 -11.646 1.00 0.00 N ATOM 2022 CA THR A 113 0.422 -1.753 -12.586 1.00 0.00 C ATOM 2023 C THR A 113 -0.033 -1.846 -14.053 1.00 0.00 C ATOM 2024 O THR A 113 0.669 -2.419 -14.890 1.00 0.00 O ATOM 2025 CB THR A 113 0.998 -3.082 -12.050 1.00 0.00 C ATOM 2026 OG1 THR A 113 0.097 -4.139 -12.310 1.00 0.00 O ATOM 2027 CG2 THR A 113 1.308 -3.095 -10.547 1.00 0.00 C ATOM 0 H THR A 113 -1.485 -1.512 -11.767 1.00 0.00 H new ATOM 0 HA THR A 113 1.237 -1.031 -12.629 1.00 0.00 H new ATOM 0 HB THR A 113 1.945 -3.204 -12.575 1.00 0.00 H new ATOM 0 HG1 THR A 113 0.470 -4.978 -11.969 1.00 0.00 H new ATOM 0 HG21 THR A 113 1.708 -4.070 -10.266 1.00 0.00 H new ATOM 0 HG22 THR A 113 2.043 -2.323 -10.320 1.00 0.00 H new ATOM 0 HG23 THR A 113 0.394 -2.902 -9.985 1.00 0.00 H new ATOM 2035 N GLY A 114 -1.179 -1.245 -14.399 1.00 0.00 N ATOM 2036 CA GLY A 114 -1.717 -1.232 -15.766 1.00 0.00 C ATOM 2037 C GLY A 114 -2.901 -0.278 -15.981 1.00 0.00 C ATOM 2038 O GLY A 114 -3.314 0.450 -15.074 1.00 0.00 O ATOM 0 H GLY A 114 -1.766 -0.748 -13.729 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -0.917 -0.957 -16.454 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -2.030 -2.243 -16.028 1.00 0.00 H new ATOM 2042 N GLY A 115 -3.449 -0.297 -17.200 1.00 0.00 N ATOM 2043 CA GLY A 115 -4.552 0.563 -17.653 1.00 0.00 C ATOM 2044 C GLY A 115 -4.106 1.942 -18.167 1.00 0.00 C ATOM 2045 O GLY A 115 -3.058 2.468 -17.784 1.00 0.00 O ATOM 0 H GLY A 115 -3.126 -0.935 -17.927 1.00 0.00 H new ATOM 0 HA2 GLY A 115 -5.095 0.050 -18.447 1.00 0.00 H new ATOM 0 HA3 GLY A 115 -5.250 0.704 -16.828 1.00 0.00 H new ATOM 2049 N GLN A 116 -4.919 2.542 -19.042 1.00 0.00 N ATOM 2050 CA GLN A 116 -4.673 3.821 -19.731 1.00 0.00 C ATOM 2051 C GLN A 116 -4.942 5.056 -18.837 1.00 0.00 C ATOM 2052 O GLN A 116 -5.619 6.006 -19.237 1.00 0.00 O ATOM 2053 CB GLN A 116 -5.469 3.867 -21.055 1.00 0.00 C ATOM 2054 CG GLN A 116 -5.110 2.759 -22.068 1.00 0.00 C ATOM 2055 CD GLN A 116 -5.772 1.397 -21.827 1.00 0.00 C ATOM 2056 OE1 GLN A 116 -6.597 1.195 -20.944 1.00 0.00 O ATOM 2057 NE2 GLN A 116 -5.429 0.394 -22.608 1.00 0.00 N ATOM 0 H GLN A 116 -5.814 2.130 -19.305 1.00 0.00 H new ATOM 0 HA GLN A 116 -3.610 3.871 -19.965 1.00 0.00 H new ATOM 0 HB2 GLN A 116 -6.532 3.798 -20.825 1.00 0.00 H new ATOM 0 HB3 GLN A 116 -5.307 4.836 -21.526 1.00 0.00 H new ATOM 0 HG2 GLN A 116 -5.382 3.103 -23.066 1.00 0.00 H new ATOM 0 HG3 GLN A 116 -4.029 2.623 -22.061 1.00 0.00 H new ATOM 0 HE21 GLN A 116 -4.744 0.537 -23.350 1.00 0.00 H new ATOM 0 HE22 GLN A 116 -5.848 -0.526 -22.471 1.00 0.00 H new ATOM 2066 N GLN A 117 -4.444 5.037 -17.597 1.00 0.00 N ATOM 2067 CA GLN A 117 -4.723 6.017 -16.533 1.00 0.00 C ATOM 2068 C GLN A 117 -3.925 7.337 -16.678 1.00 0.00 C ATOM 2069 O GLN A 117 -3.290 7.813 -15.733 1.00 0.00 O ATOM 2070 CB GLN A 117 -4.539 5.348 -15.157 1.00 0.00 C ATOM 2071 CG GLN A 117 -5.458 4.125 -14.965 1.00 0.00 C ATOM 2072 CD GLN A 117 -5.457 3.579 -13.537 1.00 0.00 C ATOM 2073 OE1 GLN A 117 -4.995 4.199 -12.587 1.00 0.00 O ATOM 2074 NE2 GLN A 117 -5.982 2.392 -13.329 1.00 0.00 N ATOM 0 H GLN A 117 -3.804 4.305 -17.289 1.00 0.00 H new ATOM 0 HA GLN A 117 -5.763 6.329 -16.630 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -3.500 5.039 -15.044 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -4.742 6.077 -14.373 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -6.477 4.399 -15.240 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -5.145 3.335 -15.648 1.00 0.00 H new ATOM 0 HE21 GLN A 117 -6.371 1.863 -14.109 1.00 0.00 H new ATOM 0 HE22 GLN A 117 -6.000 2.000 -12.387 1.00 0.00 H new ATOM 2083 N MET A 118 -3.934 7.926 -17.879 1.00 0.00 N ATOM 2084 CA MET A 118 -3.225 9.172 -18.217 1.00 0.00 C ATOM 2085 C MET A 118 -3.819 10.420 -17.527 1.00 0.00 C ATOM 2086 O MET A 118 -3.089 11.374 -17.237 1.00 0.00 O ATOM 2087 CB MET A 118 -3.227 9.316 -19.749 1.00 0.00 C ATOM 2088 CG MET A 118 -2.476 10.558 -20.248 1.00 0.00 C ATOM 2089 SD MET A 118 -2.244 10.645 -22.048 1.00 0.00 S ATOM 2090 CE MET A 118 -3.954 10.916 -22.595 1.00 0.00 C ATOM 0 H MET A 118 -4.450 7.539 -18.669 1.00 0.00 H new ATOM 0 HA MET A 118 -2.204 9.107 -17.841 1.00 0.00 H new ATOM 0 HB2 MET A 118 -2.776 8.427 -20.190 1.00 0.00 H new ATOM 0 HB3 MET A 118 -4.258 9.359 -20.101 1.00 0.00 H new ATOM 0 HG2 MET A 118 -3.018 11.446 -19.924 1.00 0.00 H new ATOM 0 HG3 MET A 118 -1.497 10.589 -19.769 1.00 0.00 H new ATOM 0 HE1 MET A 118 -3.976 11.027 -23.679 1.00 0.00 H new ATOM 0 HE2 MET A 118 -4.568 10.064 -22.305 1.00 0.00 H new ATOM 0 HE3 MET A 118 -4.346 11.821 -22.130 1.00 0.00 H new ATOM 2100 N GLY A 119 -5.129 10.414 -17.244 1.00 0.00 N ATOM 2101 CA GLY A 119 -5.867 11.494 -16.566 1.00 0.00 C ATOM 2102 C GLY A 119 -7.379 11.271 -16.559 1.00 0.00 C ATOM 2103 O GLY A 119 -8.115 12.193 -16.974 1.00 0.00 O ATOM 2104 OXT GLY A 119 -7.817 10.175 -16.141 1.00 0.00 O ATOM 0 H GLY A 119 -5.729 9.627 -17.490 1.00 0.00 H new ATOM 0 HA2 GLY A 119 -5.513 11.579 -15.539 1.00 0.00 H new ATOM 0 HA3 GLY A 119 -5.647 12.441 -17.058 1.00 0.00 H new TER 2108 GLY A 119