USER MOD reduce.3.24.130724 H: found=0, std=0, add=602, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 602 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 33 GLN : amide:sc= -0.266 K(o=-23,f=-23) USER MOD Set 1.2: A 49 ASN : amide:sc= -10.1! C(o=-23!,f=-23!) USER MOD Set 1.3: A 51 ASN : amide:sc= -13.2! C(o=-23!,f=-31!) USER MOD Set 1.4: A 52 SER OG : rot 56:sc= 0.15 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 152:sc=6.67e-05 (180deg=0) USER MOD Single : A 6 SER OG : rot -14:sc= 0.758 USER MOD Single : A 8 LYS NZ :NH3+ 159:sc= -0.0472 (180deg=-0.689) USER MOD Single : A 12 ASN : amide:sc= -0.95 K(o=-0.95,f=-5.5!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 180:sc=-0.00877 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ -151:sc= -1.14 (180deg=-2.73!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= -0.749 K(o=-0.75,f=0.069) USER MOD Single : A 34 ASN : amide:sc= -0.0638 K(o=-0.064,f=-6.1!) USER MOD Single : A 36 THR OG1 : rot -79:sc= 0.024 USER MOD Single : A 41 LYS NZ :NH3+ 155:sc= -1.25 (180deg=-1.98) USER MOD Single : A 44 LYS NZ :NH3+ -161:sc= -0.0193 (180deg=-0.287) USER MOD Single : A 48 TYR OH : rot 130:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN : amide:sc= -0.242 X(o=-0.24,f=-0.4) USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.283 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 10.144 -6.322 9.003 1.00 0.00 N ATOM 2 CA MET A 1 9.907 -5.576 7.734 1.00 0.00 C ATOM 3 C MET A 1 8.420 -5.238 7.615 1.00 0.00 C ATOM 4 O MET A 1 7.564 -6.073 7.824 1.00 0.00 O ATOM 5 CB MET A 1 10.334 -6.449 6.546 1.00 0.00 C ATOM 6 CG MET A 1 10.440 -5.598 5.275 1.00 0.00 C ATOM 7 SD MET A 1 8.782 -5.168 4.689 1.00 0.00 S ATOM 8 CE MET A 1 8.515 -6.639 3.668 1.00 0.00 C ATOM 0 H1 MET A 1 10.970 -6.944 8.891 1.00 0.00 H new ATOM 0 H2 MET A 1 10.321 -5.647 9.775 1.00 0.00 H new ATOM 0 H3 MET A 1 9.307 -6.896 9.230 1.00 0.00 H new ATOM 0 HA MET A 1 10.489 -4.654 7.735 1.00 0.00 H new ATOM 0 HB2 MET A 1 11.294 -6.920 6.758 1.00 0.00 H new ATOM 0 HB3 MET A 1 9.611 -7.251 6.396 1.00 0.00 H new ATOM 0 HG2 MET A 1 11.011 -4.692 5.479 1.00 0.00 H new ATOM 0 HG3 MET A 1 10.978 -6.147 4.502 1.00 0.00 H new ATOM 0 HE1 MET A 1 7.532 -6.584 3.200 1.00 0.00 H new ATOM 0 HE2 MET A 1 9.282 -6.690 2.895 1.00 0.00 H new ATOM 0 HE3 MET A 1 8.570 -7.530 4.293 1.00 0.00 H new ATOM 20 N GLU A 2 8.105 -4.015 7.277 1.00 0.00 N ATOM 21 CA GLU A 2 6.672 -3.617 7.142 1.00 0.00 C ATOM 22 C GLU A 2 6.553 -2.492 6.111 1.00 0.00 C ATOM 23 O GLU A 2 7.365 -1.589 6.066 1.00 0.00 O ATOM 24 CB GLU A 2 6.150 -3.123 8.494 1.00 0.00 C ATOM 25 CG GLU A 2 4.627 -2.986 8.432 1.00 0.00 C ATOM 26 CD GLU A 2 3.991 -4.376 8.386 1.00 0.00 C ATOM 27 OE1 GLU A 2 3.860 -4.982 9.436 1.00 0.00 O ATOM 28 OE2 GLU A 2 3.646 -4.811 7.299 1.00 0.00 O ATOM 0 H GLU A 2 8.779 -3.273 7.088 1.00 0.00 H new ATOM 0 HA GLU A 2 6.085 -4.476 6.817 1.00 0.00 H new ATOM 0 HB2 GLU A 2 6.431 -3.821 9.282 1.00 0.00 H new ATOM 0 HB3 GLU A 2 6.603 -2.163 8.742 1.00 0.00 H new ATOM 0 HG2 GLU A 2 4.265 -2.437 9.302 1.00 0.00 H new ATOM 0 HG3 GLU A 2 4.338 -2.413 7.551 1.00 0.00 H new ATOM 35 N LEU A 3 5.548 -2.540 5.280 1.00 0.00 N ATOM 36 CA LEU A 3 5.379 -1.475 4.253 1.00 0.00 C ATOM 37 C LEU A 3 3.935 -1.484 3.747 1.00 0.00 C ATOM 38 O LEU A 3 3.601 -2.185 2.813 1.00 0.00 O ATOM 39 CB LEU A 3 6.335 -1.741 3.082 1.00 0.00 C ATOM 40 CG LEU A 3 6.307 -0.562 2.086 1.00 0.00 C ATOM 41 CD1 LEU A 3 7.183 0.590 2.593 1.00 0.00 C ATOM 42 CD2 LEU A 3 6.836 -1.031 0.726 1.00 0.00 C ATOM 0 H LEU A 3 4.837 -3.271 5.268 1.00 0.00 H new ATOM 0 HA LEU A 3 5.604 -0.503 4.692 1.00 0.00 H new ATOM 0 HB2 LEU A 3 7.348 -1.885 3.457 1.00 0.00 H new ATOM 0 HB3 LEU A 3 6.050 -2.662 2.573 1.00 0.00 H new ATOM 0 HG LEU A 3 5.279 -0.212 1.989 1.00 0.00 H new ATOM 0 HD11 LEU A 3 7.152 1.413 1.879 1.00 0.00 H new ATOM 0 HD12 LEU A 3 6.810 0.933 3.558 1.00 0.00 H new ATOM 0 HD13 LEU A 3 8.211 0.244 2.703 1.00 0.00 H new ATOM 0 HD21 LEU A 3 6.817 -0.199 0.022 1.00 0.00 H new ATOM 0 HD22 LEU A 3 7.860 -1.389 0.837 1.00 0.00 H new ATOM 0 HD23 LEU A 3 6.208 -1.839 0.350 1.00 0.00 H new ATOM 54 N TRP A 4 3.076 -0.706 4.346 1.00 0.00 N ATOM 55 CA TRP A 4 1.662 -0.672 3.883 1.00 0.00 C ATOM 56 C TRP A 4 1.570 0.215 2.643 1.00 0.00 C ATOM 57 O TRP A 4 2.525 0.867 2.266 1.00 0.00 O ATOM 58 CB TRP A 4 0.771 -0.116 4.995 1.00 0.00 C ATOM 59 CG TRP A 4 0.823 -1.042 6.166 1.00 0.00 C ATOM 60 CD1 TRP A 4 1.860 -1.137 7.030 1.00 0.00 C ATOM 61 CD2 TRP A 4 -0.175 -2.007 6.616 1.00 0.00 C ATOM 62 NE1 TRP A 4 1.567 -2.096 7.983 1.00 0.00 N ATOM 63 CE2 TRP A 4 0.326 -2.663 7.774 1.00 0.00 C ATOM 64 CE3 TRP A 4 -1.456 -2.376 6.139 1.00 0.00 C ATOM 65 CZ2 TRP A 4 -0.416 -3.649 8.436 1.00 0.00 C ATOM 66 CZ3 TRP A 4 -2.205 -3.370 6.804 1.00 0.00 C ATOM 67 CH2 TRP A 4 -1.686 -4.005 7.950 1.00 0.00 C ATOM 0 H TRP A 4 3.292 -0.095 5.133 1.00 0.00 H new ATOM 0 HA TRP A 4 1.326 -1.679 3.636 1.00 0.00 H new ATOM 0 HB2 TRP A 4 1.108 0.879 5.286 1.00 0.00 H new ATOM 0 HB3 TRP A 4 -0.255 -0.014 4.641 1.00 0.00 H new ATOM 0 HD1 TRP A 4 2.770 -0.557 6.983 1.00 0.00 H new ATOM 0 HE1 TRP A 4 2.192 -2.353 8.747 1.00 0.00 H new ATOM 0 HE3 TRP A 4 -1.862 -1.894 5.262 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 -0.015 -4.133 9.314 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 -3.181 -3.646 6.433 1.00 0.00 H new ATOM 0 HH2 TRP A 4 -2.264 -4.765 8.455 1.00 0.00 H new ATOM 78 N VAL A 5 0.437 0.239 1.993 1.00 0.00 N ATOM 79 CA VAL A 5 0.285 1.075 0.764 1.00 0.00 C ATOM 80 C VAL A 5 -1.106 1.710 0.750 1.00 0.00 C ATOM 81 O VAL A 5 -1.992 1.296 1.471 1.00 0.00 O ATOM 82 CB VAL A 5 0.460 0.180 -0.472 1.00 0.00 C ATOM 83 CG1 VAL A 5 0.806 1.035 -1.693 1.00 0.00 C ATOM 84 CG2 VAL A 5 1.591 -0.820 -0.222 1.00 0.00 C ATOM 0 H VAL A 5 -0.395 -0.287 2.261 1.00 0.00 H new ATOM 0 HA VAL A 5 1.038 1.863 0.755 1.00 0.00 H new ATOM 0 HB VAL A 5 -0.472 -0.354 -0.658 1.00 0.00 H new ATOM 0 HG11 VAL A 5 0.928 0.392 -2.565 1.00 0.00 H new ATOM 0 HG12 VAL A 5 0.002 1.748 -1.878 1.00 0.00 H new ATOM 0 HG13 VAL A 5 1.734 1.575 -1.508 1.00 0.00 H new ATOM 0 HG21 VAL A 5 1.715 -1.455 -1.099 1.00 0.00 H new ATOM 0 HG22 VAL A 5 2.518 -0.280 -0.031 1.00 0.00 H new ATOM 0 HG23 VAL A 5 1.346 -1.438 0.642 1.00 0.00 H new ATOM 94 N SER A 6 -1.302 2.715 -0.070 1.00 0.00 N ATOM 95 CA SER A 6 -2.634 3.397 -0.151 1.00 0.00 C ATOM 96 C SER A 6 -3.243 3.136 -1.547 1.00 0.00 C ATOM 97 O SER A 6 -2.506 2.939 -2.492 1.00 0.00 O ATOM 98 CB SER A 6 -2.425 4.903 0.044 1.00 0.00 C ATOM 99 OG SER A 6 -2.289 5.179 1.432 1.00 0.00 O ATOM 0 H SER A 6 -0.589 3.096 -0.693 1.00 0.00 H new ATOM 0 HA SER A 6 -3.306 3.015 0.618 1.00 0.00 H new ATOM 0 HB2 SER A 6 -1.535 5.232 -0.493 1.00 0.00 H new ATOM 0 HB3 SER A 6 -3.269 5.456 -0.368 1.00 0.00 H new ATOM 0 HG SER A 6 -2.578 4.399 1.950 1.00 0.00 H new ATOM 105 N PRO A 7 -4.560 3.146 -1.656 1.00 0.00 N ATOM 106 CA PRO A 7 -5.223 2.913 -2.956 1.00 0.00 C ATOM 107 C PRO A 7 -4.662 3.872 -4.019 1.00 0.00 C ATOM 108 O PRO A 7 -4.328 3.470 -5.117 1.00 0.00 O ATOM 109 CB PRO A 7 -6.726 3.177 -2.691 1.00 0.00 C ATOM 110 CG PRO A 7 -6.885 3.488 -1.173 1.00 0.00 C ATOM 111 CD PRO A 7 -5.487 3.381 -0.526 1.00 0.00 C ATOM 0 HA PRO A 7 -5.057 1.905 -3.337 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -7.081 4.014 -3.293 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -7.323 2.308 -2.969 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -7.299 4.486 -1.028 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -7.577 2.785 -0.708 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -5.230 4.293 0.012 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -5.447 2.564 0.194 1.00 0.00 H new ATOM 119 N LYS A 8 -4.568 5.135 -3.706 1.00 0.00 N ATOM 120 CA LYS A 8 -4.043 6.115 -4.700 1.00 0.00 C ATOM 121 C LYS A 8 -2.608 5.750 -5.092 1.00 0.00 C ATOM 122 O LYS A 8 -2.140 6.102 -6.157 1.00 0.00 O ATOM 123 CB LYS A 8 -4.061 7.520 -4.091 1.00 0.00 C ATOM 124 CG LYS A 8 -3.450 7.477 -2.689 1.00 0.00 C ATOM 125 CD LYS A 8 -3.365 8.898 -2.126 1.00 0.00 C ATOM 126 CE LYS A 8 -2.699 8.862 -0.749 1.00 0.00 C ATOM 127 NZ LYS A 8 -1.271 8.467 -0.897 1.00 0.00 N ATOM 0 H LYS A 8 -4.832 5.532 -2.804 1.00 0.00 H new ATOM 0 HA LYS A 8 -4.673 6.091 -5.589 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -3.500 8.209 -4.723 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -5.084 7.894 -4.042 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -4.057 6.851 -2.035 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -2.457 7.029 -2.727 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -2.794 9.535 -2.802 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -4.363 9.330 -2.048 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -2.769 9.840 -0.274 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -3.217 8.155 -0.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -0.737 8.776 -0.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -1.204 7.433 -0.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -0.873 8.916 -1.747 1.00 0.00 H new ATOM 141 N GLU A 9 -1.904 5.051 -4.245 1.00 0.00 N ATOM 142 CA GLU A 9 -0.498 4.671 -4.575 1.00 0.00 C ATOM 143 C GLU A 9 -0.499 3.394 -5.423 1.00 0.00 C ATOM 144 O GLU A 9 0.401 3.155 -6.202 1.00 0.00 O ATOM 145 CB GLU A 9 0.278 4.425 -3.277 1.00 0.00 C ATOM 146 CG GLU A 9 0.672 5.765 -2.650 1.00 0.00 C ATOM 147 CD GLU A 9 1.808 6.393 -3.459 1.00 0.00 C ATOM 148 OE1 GLU A 9 2.856 5.777 -3.549 1.00 0.00 O ATOM 149 OE2 GLU A 9 1.610 7.482 -3.973 1.00 0.00 O ATOM 0 H GLU A 9 -2.240 4.726 -3.338 1.00 0.00 H new ATOM 0 HA GLU A 9 -0.023 5.476 -5.136 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -0.333 3.852 -2.580 1.00 0.00 H new ATOM 0 HB3 GLU A 9 1.169 3.832 -3.482 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -0.187 6.435 -2.629 1.00 0.00 H new ATOM 0 HG3 GLU A 9 0.986 5.617 -1.617 1.00 0.00 H new ATOM 156 N LEU A 10 -1.504 2.573 -5.278 1.00 0.00 N ATOM 157 CA LEU A 10 -1.561 1.313 -6.075 1.00 0.00 C ATOM 158 C LEU A 10 -2.126 1.620 -7.464 1.00 0.00 C ATOM 159 O LEU A 10 -1.917 0.884 -8.408 1.00 0.00 O ATOM 160 CB LEU A 10 -2.474 0.306 -5.368 1.00 0.00 C ATOM 161 CG LEU A 10 -1.884 -0.072 -3.999 1.00 0.00 C ATOM 162 CD1 LEU A 10 -2.967 -0.733 -3.144 1.00 0.00 C ATOM 163 CD2 LEU A 10 -0.711 -1.051 -4.170 1.00 0.00 C ATOM 0 H LEU A 10 -2.288 2.720 -4.642 1.00 0.00 H new ATOM 0 HA LEU A 10 -0.559 0.894 -6.170 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -3.468 0.733 -5.239 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -2.588 -0.587 -5.983 1.00 0.00 H new ATOM 0 HG LEU A 10 -1.522 0.834 -3.512 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -2.551 -1.002 -2.173 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -3.795 -0.038 -3.004 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -3.328 -1.631 -3.645 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -0.306 -1.308 -3.191 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -1.062 -1.956 -4.666 1.00 0.00 H new ATOM 0 HD23 LEU A 10 0.067 -0.584 -4.774 1.00 0.00 H new ATOM 175 N ALA A 11 -2.852 2.699 -7.585 1.00 0.00 N ATOM 176 CA ALA A 11 -3.446 3.078 -8.902 1.00 0.00 C ATOM 177 C ALA A 11 -2.350 3.395 -9.935 1.00 0.00 C ATOM 178 O ALA A 11 -2.549 4.217 -10.807 1.00 0.00 O ATOM 179 CB ALA A 11 -4.331 4.312 -8.716 1.00 0.00 C ATOM 0 H ALA A 11 -3.061 3.341 -6.821 1.00 0.00 H new ATOM 0 HA ALA A 11 -4.035 2.238 -9.270 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -4.768 4.594 -9.674 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -5.127 4.085 -8.007 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -3.729 5.137 -8.335 1.00 0.00 H new ATOM 185 N ASN A 12 -1.196 2.776 -9.852 1.00 0.00 N ATOM 186 CA ASN A 12 -0.115 3.083 -10.843 1.00 0.00 C ATOM 187 C ASN A 12 0.710 1.830 -11.154 1.00 0.00 C ATOM 188 O ASN A 12 1.515 1.827 -12.065 1.00 0.00 O ATOM 189 CB ASN A 12 0.805 4.162 -10.266 1.00 0.00 C ATOM 190 CG ASN A 12 -0.003 5.431 -9.992 1.00 0.00 C ATOM 191 OD1 ASN A 12 -0.136 5.847 -8.859 1.00 0.00 O ATOM 192 ND2 ASN A 12 -0.552 6.068 -10.990 1.00 0.00 N ATOM 0 H ASN A 12 -0.957 2.078 -9.148 1.00 0.00 H new ATOM 0 HA ASN A 12 -0.577 3.434 -11.766 1.00 0.00 H new ATOM 0 HB2 ASN A 12 1.266 3.806 -9.345 1.00 0.00 H new ATOM 0 HB3 ASN A 12 1.613 4.377 -10.965 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -1.093 6.916 -10.818 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -0.440 5.718 -11.942 1.00 0.00 H new ATOM 199 N LEU A 13 0.522 0.760 -10.428 1.00 0.00 N ATOM 200 CA LEU A 13 1.306 -0.473 -10.724 1.00 0.00 C ATOM 201 C LEU A 13 0.654 -1.175 -11.935 1.00 0.00 C ATOM 202 O LEU A 13 -0.544 -1.083 -12.095 1.00 0.00 O ATOM 203 CB LEU A 13 1.281 -1.400 -9.500 1.00 0.00 C ATOM 204 CG LEU A 13 1.588 -0.596 -8.227 1.00 0.00 C ATOM 205 CD1 LEU A 13 1.836 -1.559 -7.064 1.00 0.00 C ATOM 206 CD2 LEU A 13 2.839 0.266 -8.439 1.00 0.00 C ATOM 0 H LEU A 13 -0.134 0.687 -9.650 1.00 0.00 H new ATOM 0 HA LEU A 13 2.343 -0.224 -10.951 1.00 0.00 H new ATOM 0 HB2 LEU A 13 0.304 -1.875 -9.413 1.00 0.00 H new ATOM 0 HB3 LEU A 13 2.014 -2.198 -9.622 1.00 0.00 H new ATOM 0 HG LEU A 13 0.739 0.049 -8.001 1.00 0.00 H new ATOM 0 HD11 LEU A 13 2.054 -0.990 -6.160 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.948 -2.171 -6.902 1.00 0.00 H new ATOM 0 HD13 LEU A 13 2.683 -2.204 -7.300 1.00 0.00 H new ATOM 0 HD21 LEU A 13 3.049 0.832 -7.532 1.00 0.00 H new ATOM 0 HD22 LEU A 13 3.689 -0.376 -8.670 1.00 0.00 H new ATOM 0 HD23 LEU A 13 2.670 0.956 -9.266 1.00 0.00 H new ATOM 218 N PRO A 14 1.433 -1.846 -12.768 1.00 0.00 N ATOM 219 CA PRO A 14 0.871 -2.529 -13.953 1.00 0.00 C ATOM 220 C PRO A 14 -0.175 -3.576 -13.536 1.00 0.00 C ATOM 221 O PRO A 14 -1.343 -3.461 -13.852 1.00 0.00 O ATOM 222 CB PRO A 14 2.086 -3.197 -14.644 1.00 0.00 C ATOM 223 CG PRO A 14 3.327 -2.954 -13.739 1.00 0.00 C ATOM 224 CD PRO A 14 2.898 -1.987 -12.614 1.00 0.00 C ATOM 0 HA PRO A 14 0.356 -1.837 -14.620 1.00 0.00 H new ATOM 0 HB2 PRO A 14 1.912 -4.265 -14.778 1.00 0.00 H new ATOM 0 HB3 PRO A 14 2.245 -2.773 -15.635 1.00 0.00 H new ATOM 0 HG2 PRO A 14 3.686 -3.894 -13.320 1.00 0.00 H new ATOM 0 HG3 PRO A 14 4.147 -2.529 -14.318 1.00 0.00 H new ATOM 0 HD2 PRO A 14 3.155 -2.385 -11.632 1.00 0.00 H new ATOM 0 HD3 PRO A 14 3.399 -1.024 -12.709 1.00 0.00 H new ATOM 232 N GLY A 15 0.245 -4.602 -12.849 1.00 0.00 N ATOM 233 CA GLY A 15 -0.706 -5.674 -12.423 1.00 0.00 C ATOM 234 C GLY A 15 -2.001 -5.056 -11.892 1.00 0.00 C ATOM 235 O GLY A 15 -3.079 -5.577 -12.099 1.00 0.00 O ATOM 0 H GLY A 15 1.213 -4.747 -12.561 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -0.927 -6.329 -13.266 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -0.247 -6.291 -11.651 1.00 0.00 H new ATOM 239 N LEU A 16 -1.905 -3.950 -11.206 1.00 0.00 N ATOM 240 CA LEU A 16 -3.129 -3.293 -10.652 1.00 0.00 C ATOM 241 C LEU A 16 -3.612 -2.213 -11.646 1.00 0.00 C ATOM 242 O LEU A 16 -2.802 -1.646 -12.348 1.00 0.00 O ATOM 243 CB LEU A 16 -2.760 -2.643 -9.314 1.00 0.00 C ATOM 244 CG LEU A 16 -1.908 -3.617 -8.493 1.00 0.00 C ATOM 245 CD1 LEU A 16 -1.661 -3.026 -7.105 1.00 0.00 C ATOM 246 CD2 LEU A 16 -2.643 -4.956 -8.356 1.00 0.00 C ATOM 0 H LEU A 16 -1.029 -3.469 -11.003 1.00 0.00 H new ATOM 0 HA LEU A 16 -3.925 -4.022 -10.502 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -2.210 -1.718 -9.486 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -3.663 -2.380 -8.764 1.00 0.00 H new ATOM 0 HG LEU A 16 -0.955 -3.780 -8.997 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -1.055 -3.716 -6.518 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -1.136 -2.075 -7.202 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.615 -2.864 -6.603 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -2.035 -5.647 -7.772 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -3.597 -4.798 -7.853 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -2.820 -5.377 -9.346 1.00 0.00 H new ATOM 258 N PRO A 17 -4.906 -1.941 -11.694 1.00 0.00 N ATOM 259 CA PRO A 17 -5.433 -0.917 -12.618 1.00 0.00 C ATOM 260 C PRO A 17 -4.693 0.414 -12.405 1.00 0.00 C ATOM 261 O PRO A 17 -3.870 0.543 -11.521 1.00 0.00 O ATOM 262 CB PRO A 17 -6.937 -0.798 -12.272 1.00 0.00 C ATOM 263 CG PRO A 17 -7.238 -1.827 -11.144 1.00 0.00 C ATOM 264 CD PRO A 17 -5.934 -2.606 -10.861 1.00 0.00 C ATOM 0 HA PRO A 17 -5.291 -1.181 -13.666 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -7.176 0.213 -11.943 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -7.550 -1.001 -13.150 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -7.583 -1.318 -10.244 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -8.032 -2.508 -11.449 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -5.672 -2.567 -9.804 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -6.037 -3.658 -11.125 1.00 0.00 H new ATOM 272 N LYS A 18 -4.982 1.398 -13.216 1.00 0.00 N ATOM 273 CA LYS A 18 -4.302 2.723 -13.075 1.00 0.00 C ATOM 274 C LYS A 18 -5.199 3.681 -12.289 1.00 0.00 C ATOM 275 O LYS A 18 -4.896 4.848 -12.142 1.00 0.00 O ATOM 276 CB LYS A 18 -4.041 3.304 -14.467 1.00 0.00 C ATOM 277 CG LYS A 18 -3.493 2.206 -15.379 1.00 0.00 C ATOM 278 CD LYS A 18 -2.909 2.836 -16.645 1.00 0.00 C ATOM 279 CE LYS A 18 -2.439 1.732 -17.594 1.00 0.00 C ATOM 280 NZ LYS A 18 -2.056 2.333 -18.903 1.00 0.00 N ATOM 0 H LYS A 18 -5.663 1.342 -13.974 1.00 0.00 H new ATOM 0 HA LYS A 18 -3.359 2.593 -12.544 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -4.963 3.711 -14.882 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -3.330 4.127 -14.402 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -2.725 1.635 -14.857 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -4.287 1.507 -15.641 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -3.660 3.456 -17.135 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -2.075 3.489 -16.388 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -1.589 1.203 -17.162 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -3.232 0.998 -17.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -1.736 1.583 -19.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -2.878 2.819 -19.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -1.286 3.017 -18.759 1.00 0.00 H new ATOM 294 N THR A 19 -6.305 3.193 -11.784 1.00 0.00 N ATOM 295 CA THR A 19 -7.241 4.062 -11.003 1.00 0.00 C ATOM 296 C THR A 19 -7.597 3.367 -9.689 1.00 0.00 C ATOM 297 O THR A 19 -7.972 2.211 -9.668 1.00 0.00 O ATOM 298 CB THR A 19 -8.516 4.287 -11.820 1.00 0.00 C ATOM 299 OG1 THR A 19 -9.364 3.154 -11.693 1.00 0.00 O ATOM 300 CG2 THR A 19 -8.149 4.490 -13.291 1.00 0.00 C ATOM 0 H THR A 19 -6.602 2.222 -11.880 1.00 0.00 H new ATOM 0 HA THR A 19 -6.766 5.020 -10.792 1.00 0.00 H new ATOM 0 HB THR A 19 -9.035 5.172 -11.451 1.00 0.00 H new ATOM 0 HG1 THR A 19 -10.181 3.297 -12.214 1.00 0.00 H new ATOM 0 HG21 THR A 19 -9.056 4.650 -13.874 1.00 0.00 H new ATOM 0 HG22 THR A 19 -7.498 5.359 -13.387 1.00 0.00 H new ATOM 0 HG23 THR A 19 -7.631 3.606 -13.662 1.00 0.00 H new ATOM 308 N SER A 20 -7.481 4.060 -8.590 1.00 0.00 N ATOM 309 CA SER A 20 -7.812 3.437 -7.278 1.00 0.00 C ATOM 310 C SER A 20 -9.208 2.817 -7.347 1.00 0.00 C ATOM 311 O SER A 20 -9.493 1.832 -6.697 1.00 0.00 O ATOM 312 CB SER A 20 -7.779 4.505 -6.184 1.00 0.00 C ATOM 313 OG SER A 20 -8.454 5.669 -6.644 1.00 0.00 O ATOM 0 H SER A 20 -7.171 5.031 -8.544 1.00 0.00 H new ATOM 0 HA SER A 20 -7.082 2.661 -7.048 1.00 0.00 H new ATOM 0 HB2 SER A 20 -8.254 4.129 -5.278 1.00 0.00 H new ATOM 0 HB3 SER A 20 -6.748 4.746 -5.926 1.00 0.00 H new ATOM 0 HG SER A 20 -8.436 6.355 -5.945 1.00 0.00 H new ATOM 319 N ALA A 21 -10.081 3.385 -8.132 1.00 0.00 N ATOM 320 CA ALA A 21 -11.458 2.826 -8.242 1.00 0.00 C ATOM 321 C ALA A 21 -11.377 1.344 -8.602 1.00 0.00 C ATOM 322 O ALA A 21 -12.027 0.512 -8.002 1.00 0.00 O ATOM 323 CB ALA A 21 -12.229 3.575 -9.330 1.00 0.00 C ATOM 0 H ALA A 21 -9.901 4.212 -8.702 1.00 0.00 H new ATOM 0 HA ALA A 21 -11.974 2.941 -7.289 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -13.236 3.165 -9.410 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -12.287 4.633 -9.073 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -11.715 3.461 -10.284 1.00 0.00 H new ATOM 329 N GLY A 22 -10.581 1.007 -9.577 1.00 0.00 N ATOM 330 CA GLY A 22 -10.456 -0.423 -9.976 1.00 0.00 C ATOM 331 C GLY A 22 -9.759 -1.202 -8.860 1.00 0.00 C ATOM 332 O GLY A 22 -10.063 -2.350 -8.608 1.00 0.00 O ATOM 0 H GLY A 22 -10.011 1.660 -10.115 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -11.442 -0.846 -10.169 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -9.887 -0.505 -10.902 1.00 0.00 H new ATOM 336 N VAL A 23 -8.825 -0.587 -8.189 1.00 0.00 N ATOM 337 CA VAL A 23 -8.110 -1.295 -7.090 1.00 0.00 C ATOM 338 C VAL A 23 -9.091 -1.604 -5.960 1.00 0.00 C ATOM 339 O VAL A 23 -9.306 -2.746 -5.610 1.00 0.00 O ATOM 340 CB VAL A 23 -6.982 -0.409 -6.560 1.00 0.00 C ATOM 341 CG1 VAL A 23 -6.247 -1.138 -5.434 1.00 0.00 C ATOM 342 CG2 VAL A 23 -6.001 -0.100 -7.692 1.00 0.00 C ATOM 0 H VAL A 23 -8.526 0.374 -8.354 1.00 0.00 H new ATOM 0 HA VAL A 23 -7.690 -2.226 -7.471 1.00 0.00 H new ATOM 0 HB VAL A 23 -7.401 0.522 -6.178 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -5.443 -0.507 -5.056 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -6.945 -1.358 -4.627 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -5.828 -2.069 -5.816 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -5.197 0.532 -7.314 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -5.582 -1.031 -8.075 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -6.524 0.420 -8.495 1.00 0.00 H new ATOM 352 N ILE A 24 -9.693 -0.597 -5.387 1.00 0.00 N ATOM 353 CA ILE A 24 -10.661 -0.845 -4.282 1.00 0.00 C ATOM 354 C ILE A 24 -11.737 -1.818 -4.773 1.00 0.00 C ATOM 355 O ILE A 24 -12.112 -2.741 -4.077 1.00 0.00 O ATOM 356 CB ILE A 24 -11.295 0.483 -3.847 1.00 0.00 C ATOM 357 CG1 ILE A 24 -10.174 1.459 -3.463 1.00 0.00 C ATOM 358 CG2 ILE A 24 -12.212 0.250 -2.637 1.00 0.00 C ATOM 359 CD1 ILE A 24 -10.759 2.706 -2.794 1.00 0.00 C ATOM 0 H ILE A 24 -9.557 0.383 -5.635 1.00 0.00 H new ATOM 0 HA ILE A 24 -10.148 -1.281 -3.425 1.00 0.00 H new ATOM 0 HB ILE A 24 -11.887 0.896 -4.664 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -9.473 0.970 -2.786 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -9.612 1.745 -4.352 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -12.660 1.196 -2.332 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -12.999 -0.454 -2.907 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -11.629 -0.158 -1.812 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -9.952 3.388 -2.528 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -11.441 3.203 -3.484 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -11.301 2.416 -1.894 1.00 0.00 H new ATOM 371 N TYR A 25 -12.231 -1.633 -5.967 1.00 0.00 N ATOM 372 CA TYR A 25 -13.268 -2.567 -6.485 1.00 0.00 C ATOM 373 C TYR A 25 -12.673 -3.973 -6.558 1.00 0.00 C ATOM 374 O TYR A 25 -13.291 -4.944 -6.169 1.00 0.00 O ATOM 375 CB TYR A 25 -13.713 -2.127 -7.883 1.00 0.00 C ATOM 376 CG TYR A 25 -14.663 -3.154 -8.455 1.00 0.00 C ATOM 377 CD1 TYR A 25 -16.001 -3.196 -8.017 1.00 0.00 C ATOM 378 CD2 TYR A 25 -14.210 -4.074 -9.421 1.00 0.00 C ATOM 379 CE1 TYR A 25 -16.885 -4.157 -8.546 1.00 0.00 C ATOM 380 CE2 TYR A 25 -15.094 -5.033 -9.951 1.00 0.00 C ATOM 381 CZ TYR A 25 -16.432 -5.074 -9.512 1.00 0.00 C ATOM 382 OH TYR A 25 -17.299 -6.015 -10.030 1.00 0.00 O ATOM 0 H TYR A 25 -11.963 -0.881 -6.602 1.00 0.00 H new ATOM 0 HA TYR A 25 -14.132 -2.561 -5.820 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -14.201 -1.154 -7.832 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -12.846 -2.015 -8.534 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -16.349 -2.492 -7.276 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -13.183 -4.044 -9.755 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -17.911 -4.190 -8.210 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -14.747 -5.736 -10.693 1.00 0.00 H new ATOM 0 HH TYR A 25 -16.827 -6.569 -10.686 1.00 0.00 H new ATOM 392 N VAL A 26 -11.472 -4.085 -7.051 1.00 0.00 N ATOM 393 CA VAL A 26 -10.820 -5.421 -7.151 1.00 0.00 C ATOM 394 C VAL A 26 -10.360 -5.862 -5.759 1.00 0.00 C ATOM 395 O VAL A 26 -10.107 -7.027 -5.520 1.00 0.00 O ATOM 396 CB VAL A 26 -9.614 -5.328 -8.091 1.00 0.00 C ATOM 397 CG1 VAL A 26 -8.798 -6.623 -8.024 1.00 0.00 C ATOM 398 CG2 VAL A 26 -10.104 -5.115 -9.526 1.00 0.00 C ATOM 0 H VAL A 26 -10.910 -3.304 -7.391 1.00 0.00 H new ATOM 0 HA VAL A 26 -11.528 -6.150 -7.546 1.00 0.00 H new ATOM 0 HB VAL A 26 -8.987 -4.491 -7.785 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -7.942 -6.549 -8.695 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -8.447 -6.779 -7.004 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -9.424 -7.463 -8.325 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -9.247 -5.048 -10.197 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -10.734 -5.953 -9.824 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -10.680 -4.191 -9.580 1.00 0.00 H new ATOM 408 N ALA A 27 -10.252 -4.944 -4.837 1.00 0.00 N ATOM 409 CA ALA A 27 -9.812 -5.323 -3.467 1.00 0.00 C ATOM 410 C ALA A 27 -10.825 -6.297 -2.873 1.00 0.00 C ATOM 411 O ALA A 27 -10.480 -7.187 -2.125 1.00 0.00 O ATOM 412 CB ALA A 27 -9.722 -4.075 -2.586 1.00 0.00 C ATOM 0 H ALA A 27 -10.449 -3.953 -4.974 1.00 0.00 H new ATOM 0 HA ALA A 27 -8.830 -5.794 -3.515 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -9.399 -4.359 -1.584 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -9.002 -3.378 -3.015 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -10.700 -3.598 -2.530 1.00 0.00 H new ATOM 418 N LYS A 28 -12.076 -6.146 -3.210 1.00 0.00 N ATOM 419 CA LYS A 28 -13.104 -7.076 -2.673 1.00 0.00 C ATOM 420 C LYS A 28 -12.912 -8.446 -3.323 1.00 0.00 C ATOM 421 O LYS A 28 -13.210 -9.472 -2.741 1.00 0.00 O ATOM 422 CB LYS A 28 -14.502 -6.543 -2.997 1.00 0.00 C ATOM 423 CG LYS A 28 -14.616 -5.085 -2.531 1.00 0.00 C ATOM 424 CD LYS A 28 -15.977 -4.488 -2.955 1.00 0.00 C ATOM 425 CE LYS A 28 -17.042 -4.757 -1.882 1.00 0.00 C ATOM 426 NZ LYS A 28 -17.332 -6.217 -1.814 1.00 0.00 N ATOM 0 H LYS A 28 -12.429 -5.420 -3.833 1.00 0.00 H new ATOM 0 HA LYS A 28 -13.000 -7.160 -1.591 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -14.688 -6.609 -4.069 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -15.259 -7.153 -2.504 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -14.511 -5.034 -1.447 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -13.804 -4.496 -2.958 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -15.876 -3.414 -3.114 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -16.291 -4.922 -3.904 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -16.693 -4.401 -0.913 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -17.953 -4.206 -2.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -18.313 -6.362 -1.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -17.202 -6.641 -2.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -16.683 -6.669 -1.138 1.00 0.00 H new ATOM 440 N LYS A 29 -12.405 -8.468 -4.526 1.00 0.00 N ATOM 441 CA LYS A 29 -12.179 -9.766 -5.221 1.00 0.00 C ATOM 442 C LYS A 29 -11.114 -10.563 -4.459 1.00 0.00 C ATOM 443 O LYS A 29 -10.777 -11.674 -4.817 1.00 0.00 O ATOM 444 CB LYS A 29 -11.706 -9.494 -6.660 1.00 0.00 C ATOM 445 CG LYS A 29 -11.971 -10.723 -7.552 1.00 0.00 C ATOM 446 CD LYS A 29 -13.404 -10.682 -8.101 1.00 0.00 C ATOM 447 CE LYS A 29 -13.608 -11.846 -9.073 1.00 0.00 C ATOM 448 NZ LYS A 29 -14.941 -11.716 -9.728 1.00 0.00 N ATOM 0 H LYS A 29 -12.137 -7.640 -5.058 1.00 0.00 H new ATOM 0 HA LYS A 29 -13.105 -10.341 -5.252 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -12.226 -8.625 -7.063 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -10.642 -9.258 -6.662 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -11.259 -10.743 -8.377 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -11.820 -11.637 -6.978 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -14.121 -10.747 -7.283 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -13.584 -9.734 -8.608 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -12.819 -11.848 -9.825 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -13.543 -12.795 -8.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -15.081 -12.506 -10.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -15.687 -11.734 -9.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -14.986 -10.817 -10.249 1.00 0.00 H new ATOM 462 N GLN A 30 -10.586 -9.994 -3.407 1.00 0.00 N ATOM 463 CA GLN A 30 -9.544 -10.698 -2.603 1.00 0.00 C ATOM 464 C GLN A 30 -9.643 -10.226 -1.152 1.00 0.00 C ATOM 465 O GLN A 30 -9.947 -10.990 -0.258 1.00 0.00 O ATOM 466 CB GLN A 30 -8.157 -10.363 -3.158 1.00 0.00 C ATOM 467 CG GLN A 30 -8.018 -10.935 -4.570 1.00 0.00 C ATOM 468 CD GLN A 30 -6.557 -10.849 -5.016 1.00 0.00 C ATOM 469 OE1 GLN A 30 -5.851 -11.838 -5.015 1.00 0.00 O ATOM 470 NE2 GLN A 30 -6.071 -9.701 -5.399 1.00 0.00 N ATOM 0 H GLN A 30 -10.834 -9.065 -3.068 1.00 0.00 H new ATOM 0 HA GLN A 30 -9.698 -11.776 -2.655 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -8.013 -9.283 -3.176 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -7.385 -10.777 -2.509 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -8.354 -11.972 -4.588 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -8.653 -10.382 -5.262 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -6.664 -8.871 -5.400 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -5.098 -9.633 -5.698 1.00 0.00 H new ATOM 479 N GLY A 31 -9.406 -8.962 -0.917 1.00 0.00 N ATOM 480 CA GLY A 31 -9.502 -8.417 0.472 1.00 0.00 C ATOM 481 C GLY A 31 -8.120 -8.381 1.125 1.00 0.00 C ATOM 482 O GLY A 31 -7.918 -8.922 2.193 1.00 0.00 O ATOM 0 H GLY A 31 -9.149 -8.280 -1.630 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -9.926 -7.413 0.448 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -10.176 -9.034 1.066 1.00 0.00 H new ATOM 486 N TRP A 32 -7.166 -7.739 0.504 1.00 0.00 N ATOM 487 CA TRP A 32 -5.813 -7.673 1.119 1.00 0.00 C ATOM 488 C TRP A 32 -5.937 -7.104 2.532 1.00 0.00 C ATOM 489 O TRP A 32 -6.664 -6.159 2.768 1.00 0.00 O ATOM 490 CB TRP A 32 -4.898 -6.764 0.294 1.00 0.00 C ATOM 491 CG TRP A 32 -4.979 -7.124 -1.153 1.00 0.00 C ATOM 492 CD1 TRP A 32 -4.725 -8.349 -1.667 1.00 0.00 C ATOM 493 CD2 TRP A 32 -5.281 -6.258 -2.284 1.00 0.00 C ATOM 494 NE1 TRP A 32 -4.881 -8.300 -3.042 1.00 0.00 N ATOM 495 CE2 TRP A 32 -5.217 -7.033 -3.473 1.00 0.00 C ATOM 496 CE3 TRP A 32 -5.610 -4.888 -2.395 1.00 0.00 C ATOM 497 CZ2 TRP A 32 -5.469 -6.467 -4.731 1.00 0.00 C ATOM 498 CZ3 TRP A 32 -5.862 -4.313 -3.658 1.00 0.00 C ATOM 499 CH2 TRP A 32 -5.792 -5.102 -4.824 1.00 0.00 C ATOM 0 H TRP A 32 -7.265 -7.263 -0.393 1.00 0.00 H new ATOM 0 HA TRP A 32 -5.386 -8.675 1.149 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -5.187 -5.722 0.433 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -3.870 -6.859 0.642 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -4.446 -9.223 -1.098 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -4.762 -9.102 -3.661 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -5.669 -4.277 -1.506 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -5.415 -7.075 -5.622 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -6.110 -3.264 -3.732 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -5.987 -4.658 -5.789 1.00 0.00 H new ATOM 510 N GLN A 33 -5.235 -7.666 3.476 1.00 0.00 N ATOM 511 CA GLN A 33 -5.319 -7.149 4.871 1.00 0.00 C ATOM 512 C GLN A 33 -5.129 -5.630 4.862 1.00 0.00 C ATOM 513 O GLN A 33 -4.021 -5.135 4.829 1.00 0.00 O ATOM 514 CB GLN A 33 -4.223 -7.794 5.722 1.00 0.00 C ATOM 515 CG GLN A 33 -4.297 -7.248 7.148 1.00 0.00 C ATOM 516 CD GLN A 33 -3.371 -8.060 8.055 1.00 0.00 C ATOM 517 OE1 GLN A 33 -3.720 -8.370 9.177 1.00 0.00 O ATOM 518 NE2 GLN A 33 -2.198 -8.422 7.613 1.00 0.00 N ATOM 0 H GLN A 33 -4.608 -8.459 3.343 1.00 0.00 H new ATOM 0 HA GLN A 33 -6.295 -7.393 5.291 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -4.344 -8.877 5.729 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -3.244 -7.585 5.292 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -4.007 -6.197 7.162 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -5.322 -7.301 7.516 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -1.905 -8.162 6.671 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -1.574 -8.965 8.209 1.00 0.00 H new ATOM 527 N ASN A 34 -6.207 -4.885 4.888 1.00 0.00 N ATOM 528 CA ASN A 34 -6.102 -3.393 4.879 1.00 0.00 C ATOM 529 C ASN A 34 -6.269 -2.860 6.304 1.00 0.00 C ATOM 530 O ASN A 34 -7.278 -3.080 6.944 1.00 0.00 O ATOM 531 CB ASN A 34 -7.210 -2.812 3.988 1.00 0.00 C ATOM 532 CG ASN A 34 -8.508 -3.584 4.223 1.00 0.00 C ATOM 533 OD1 ASN A 34 -8.618 -4.339 5.169 1.00 0.00 O ATOM 534 ND2 ASN A 34 -9.506 -3.428 3.396 1.00 0.00 N ATOM 0 H ASN A 34 -7.160 -5.248 4.915 1.00 0.00 H new ATOM 0 HA ASN A 34 -5.126 -3.099 4.492 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -7.356 -1.756 4.213 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -6.920 -2.877 2.939 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -10.376 -3.939 3.544 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -9.416 -2.795 2.601 1.00 0.00 H new ATOM 541 N ARG A 35 -5.291 -2.154 6.805 1.00 0.00 N ATOM 542 CA ARG A 35 -5.402 -1.600 8.188 1.00 0.00 C ATOM 543 C ARG A 35 -6.133 -0.257 8.134 1.00 0.00 C ATOM 544 O ARG A 35 -5.631 0.712 7.600 1.00 0.00 O ATOM 545 CB ARG A 35 -4.002 -1.395 8.775 1.00 0.00 C ATOM 546 CG ARG A 35 -4.110 -0.804 10.192 1.00 0.00 C ATOM 547 CD ARG A 35 -2.712 -0.714 10.849 1.00 0.00 C ATOM 548 NE ARG A 35 -2.765 -1.241 12.252 1.00 0.00 N ATOM 549 CZ ARG A 35 -3.716 -0.885 13.079 1.00 0.00 C ATOM 550 NH1 ARG A 35 -4.596 0.010 12.728 1.00 0.00 N ATOM 551 NH2 ARG A 35 -3.766 -1.410 14.273 1.00 0.00 N ATOM 0 H ARG A 35 -4.421 -1.937 6.319 1.00 0.00 H new ATOM 0 HA ARG A 35 -5.957 -2.297 8.816 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -3.469 -2.345 8.807 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -3.424 -0.727 8.136 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -4.561 0.187 10.146 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -4.766 -1.425 10.802 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -1.990 -1.285 10.265 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -2.370 0.321 10.854 1.00 0.00 H new ATOM 0 HE ARG A 35 -2.045 -1.890 12.569 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -4.547 0.438 11.804 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -5.334 0.282 13.378 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -3.066 -2.095 14.559 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -4.505 -1.136 14.920 1.00 0.00 H new ATOM 565 N THR A 36 -7.315 -0.191 8.688 1.00 0.00 N ATOM 566 CA THR A 36 -8.081 1.091 8.675 1.00 0.00 C ATOM 567 C THR A 36 -7.788 1.864 9.961 1.00 0.00 C ATOM 568 O THR A 36 -7.725 1.299 11.036 1.00 0.00 O ATOM 569 CB THR A 36 -9.581 0.788 8.598 1.00 0.00 C ATOM 570 OG1 THR A 36 -9.880 0.202 7.338 1.00 0.00 O ATOM 571 CG2 THR A 36 -10.384 2.083 8.764 1.00 0.00 C ATOM 0 H THR A 36 -7.784 -0.970 9.150 1.00 0.00 H new ATOM 0 HA THR A 36 -7.785 1.686 7.811 1.00 0.00 H new ATOM 0 HB THR A 36 -9.849 0.096 9.397 1.00 0.00 H new ATOM 0 HG1 THR A 36 -9.931 0.903 6.655 1.00 0.00 H new ATOM 0 HG21 THR A 36 -11.450 1.860 8.708 1.00 0.00 H new ATOM 0 HG22 THR A 36 -10.157 2.530 9.732 1.00 0.00 H new ATOM 0 HG23 THR A 36 -10.117 2.781 7.970 1.00 0.00 H new ATOM 579 N ARG A 37 -7.611 3.154 9.863 1.00 0.00 N ATOM 580 CA ARG A 37 -7.325 3.970 11.079 1.00 0.00 C ATOM 581 C ARG A 37 -7.897 5.376 10.878 1.00 0.00 C ATOM 582 O ARG A 37 -7.561 6.063 9.933 1.00 0.00 O ATOM 583 CB ARG A 37 -5.799 4.036 11.295 1.00 0.00 C ATOM 584 CG ARG A 37 -5.473 4.223 12.791 1.00 0.00 C ATOM 585 CD ARG A 37 -5.950 5.605 13.284 1.00 0.00 C ATOM 586 NE ARG A 37 -4.940 6.175 14.233 1.00 0.00 N ATOM 587 CZ ARG A 37 -4.444 5.458 15.208 1.00 0.00 C ATOM 588 NH1 ARG A 37 -4.934 4.280 15.481 1.00 0.00 N ATOM 589 NH2 ARG A 37 -3.483 5.945 15.945 1.00 0.00 N ATOM 0 H ARG A 37 -7.652 3.680 8.990 1.00 0.00 H new ATOM 0 HA ARG A 37 -7.787 3.519 11.957 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -5.334 3.122 10.927 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -5.380 4.861 10.719 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -5.954 3.437 13.374 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -4.399 4.126 12.949 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -6.088 6.277 12.437 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -6.917 5.512 13.778 1.00 0.00 H new ATOM 0 HE ARG A 37 -4.633 7.141 14.116 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -5.710 3.911 14.932 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -4.541 3.728 16.243 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -3.122 6.881 15.759 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -3.093 5.390 16.707 1.00 0.00 H new ATOM 603 N ALA A 38 -8.770 5.801 11.751 1.00 0.00 N ATOM 604 CA ALA A 38 -9.375 7.158 11.611 1.00 0.00 C ATOM 605 C ALA A 38 -8.351 8.230 11.999 1.00 0.00 C ATOM 606 O ALA A 38 -8.638 9.120 12.776 1.00 0.00 O ATOM 607 CB ALA A 38 -10.595 7.267 12.528 1.00 0.00 C ATOM 0 H ALA A 38 -9.091 5.266 12.558 1.00 0.00 H new ATOM 0 HA ALA A 38 -9.678 7.310 10.575 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -11.038 8.258 12.427 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -11.329 6.511 12.249 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -10.288 7.110 13.562 1.00 0.00 H new ATOM 613 N GLY A 39 -7.161 8.160 11.464 1.00 0.00 N ATOM 614 CA GLY A 39 -6.121 9.177 11.799 1.00 0.00 C ATOM 615 C GLY A 39 -6.186 10.321 10.787 1.00 0.00 C ATOM 616 O GLY A 39 -6.040 11.478 11.130 1.00 0.00 O ATOM 0 H GLY A 39 -6.863 7.439 10.807 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -6.281 9.559 12.807 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -5.132 8.720 11.785 1.00 0.00 H new ATOM 620 N VAL A 40 -6.406 10.007 9.540 1.00 0.00 N ATOM 621 CA VAL A 40 -6.482 11.073 8.503 1.00 0.00 C ATOM 622 C VAL A 40 -7.642 12.017 8.832 1.00 0.00 C ATOM 623 O VAL A 40 -7.877 12.987 8.141 1.00 0.00 O ATOM 624 CB VAL A 40 -6.711 10.430 7.131 1.00 0.00 C ATOM 625 CG1 VAL A 40 -6.355 11.426 6.025 1.00 0.00 C ATOM 626 CG2 VAL A 40 -5.824 9.189 7.001 1.00 0.00 C ATOM 0 H VAL A 40 -6.537 9.056 9.194 1.00 0.00 H new ATOM 0 HA VAL A 40 -5.550 11.638 8.486 1.00 0.00 H new ATOM 0 HB VAL A 40 -7.759 10.147 7.035 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -6.520 10.963 5.052 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -6.984 12.312 6.117 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -5.308 11.713 6.117 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -5.984 8.728 6.026 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -4.778 9.478 7.099 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -6.078 8.476 7.785 1.00 0.00 H new ATOM 636 N LYS A 41 -8.366 11.734 9.884 1.00 0.00 N ATOM 637 CA LYS A 41 -9.513 12.602 10.277 1.00 0.00 C ATOM 638 C LYS A 41 -10.527 12.706 9.130 1.00 0.00 C ATOM 639 O LYS A 41 -11.585 13.285 9.277 1.00 0.00 O ATOM 640 CB LYS A 41 -8.996 13.996 10.645 1.00 0.00 C ATOM 641 CG LYS A 41 -10.150 14.842 11.181 1.00 0.00 C ATOM 642 CD LYS A 41 -9.593 16.057 11.926 1.00 0.00 C ATOM 643 CE LYS A 41 -8.653 16.834 11.003 1.00 0.00 C ATOM 644 NZ LYS A 41 -9.256 16.927 9.643 1.00 0.00 N ATOM 0 H LYS A 41 -8.209 10.931 10.492 1.00 0.00 H new ATOM 0 HA LYS A 41 -10.012 12.159 11.139 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -8.209 13.917 11.395 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -8.556 14.475 9.770 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -10.788 15.168 10.359 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -10.771 14.246 11.850 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -10.409 16.700 12.256 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -9.059 15.735 12.820 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -8.477 17.832 11.403 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -7.685 16.336 10.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -8.877 17.762 9.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -9.023 16.071 9.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -10.289 17.014 9.726 1.00 0.00 H new ATOM 658 N GLY A 42 -10.222 12.148 7.994 1.00 0.00 N ATOM 659 CA GLY A 42 -11.175 12.218 6.851 1.00 0.00 C ATOM 660 C GLY A 42 -12.425 11.399 7.177 1.00 0.00 C ATOM 661 O GLY A 42 -13.529 11.906 7.175 1.00 0.00 O ATOM 0 H GLY A 42 -9.354 11.646 7.806 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -11.448 13.255 6.654 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -10.703 11.836 5.946 1.00 0.00 H new ATOM 665 N GLY A 43 -12.262 10.135 7.459 1.00 0.00 N ATOM 666 CA GLY A 43 -13.441 9.285 7.785 1.00 0.00 C ATOM 667 C GLY A 43 -13.092 7.813 7.560 1.00 0.00 C ATOM 668 O GLY A 43 -13.556 7.193 6.624 1.00 0.00 O ATOM 0 H GLY A 43 -11.362 9.655 7.478 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -13.741 9.444 8.821 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -14.289 9.567 7.161 1.00 0.00 H new ATOM 672 N LYS A 44 -12.276 7.249 8.408 1.00 0.00 N ATOM 673 CA LYS A 44 -11.897 5.818 8.244 1.00 0.00 C ATOM 674 C LYS A 44 -11.251 5.619 6.871 1.00 0.00 C ATOM 675 O LYS A 44 -11.927 5.488 5.869 1.00 0.00 O ATOM 676 CB LYS A 44 -13.145 4.937 8.358 1.00 0.00 C ATOM 677 CG LYS A 44 -14.005 5.414 9.530 1.00 0.00 C ATOM 678 CD LYS A 44 -15.148 4.422 9.757 1.00 0.00 C ATOM 679 CE LYS A 44 -15.913 4.802 11.027 1.00 0.00 C ATOM 680 NZ LYS A 44 -15.079 4.486 12.221 1.00 0.00 N ATOM 0 H LYS A 44 -11.855 7.719 9.209 1.00 0.00 H new ATOM 0 HA LYS A 44 -11.189 5.538 9.024 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -13.718 4.980 7.432 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -12.856 3.897 8.506 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -13.397 5.498 10.431 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -14.405 6.406 9.322 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -15.821 4.425 8.900 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -14.752 3.410 9.848 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -16.159 5.864 11.012 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -16.856 4.257 11.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -15.686 4.433 13.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -14.602 3.573 12.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -14.366 5.232 12.354 1.00 0.00 H new ATOM 694 N ALA A 45 -9.948 5.592 6.820 1.00 0.00 N ATOM 695 CA ALA A 45 -9.251 5.400 5.513 1.00 0.00 C ATOM 696 C ALA A 45 -9.111 3.902 5.229 1.00 0.00 C ATOM 697 O ALA A 45 -9.717 3.078 5.883 1.00 0.00 O ATOM 698 CB ALA A 45 -7.861 6.036 5.581 1.00 0.00 C ATOM 0 H ALA A 45 -9.333 5.695 7.627 1.00 0.00 H new ATOM 0 HA ALA A 45 -9.829 5.871 4.718 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -7.350 5.897 4.628 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -7.958 7.102 5.789 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -7.283 5.563 6.375 1.00 0.00 H new ATOM 704 N ILE A 46 -8.316 3.541 4.254 1.00 0.00 N ATOM 705 CA ILE A 46 -8.137 2.093 3.924 1.00 0.00 C ATOM 706 C ILE A 46 -6.714 1.861 3.414 1.00 0.00 C ATOM 707 O ILE A 46 -6.412 2.092 2.261 1.00 0.00 O ATOM 708 CB ILE A 46 -9.137 1.687 2.833 1.00 0.00 C ATOM 709 CG1 ILE A 46 -10.554 2.085 3.265 1.00 0.00 C ATOM 710 CG2 ILE A 46 -9.076 0.170 2.608 1.00 0.00 C ATOM 711 CD1 ILE A 46 -11.583 1.483 2.302 1.00 0.00 C ATOM 0 H ILE A 46 -7.782 4.186 3.671 1.00 0.00 H new ATOM 0 HA ILE A 46 -8.310 1.494 4.818 1.00 0.00 H new ATOM 0 HB ILE A 46 -8.882 2.197 1.904 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -10.745 1.736 4.280 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -10.648 3.171 3.278 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -9.788 -0.112 1.832 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -8.070 -0.111 2.297 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -9.326 -0.346 3.535 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -12.587 1.770 2.616 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -11.398 1.853 1.294 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -11.497 0.396 2.311 1.00 0.00 H new ATOM 723 N GLU A 47 -5.840 1.393 4.262 1.00 0.00 N ATOM 724 CA GLU A 47 -4.439 1.127 3.828 1.00 0.00 C ATOM 725 C GLU A 47 -4.360 -0.295 3.267 1.00 0.00 C ATOM 726 O GLU A 47 -5.304 -1.052 3.352 1.00 0.00 O ATOM 727 CB GLU A 47 -3.501 1.255 5.036 1.00 0.00 C ATOM 728 CG GLU A 47 -3.230 2.734 5.324 1.00 0.00 C ATOM 729 CD GLU A 47 -2.313 3.307 4.242 1.00 0.00 C ATOM 730 OE1 GLU A 47 -1.263 2.730 4.017 1.00 0.00 O ATOM 731 OE2 GLU A 47 -2.678 4.313 3.656 1.00 0.00 O ATOM 0 H GLU A 47 -6.036 1.183 5.241 1.00 0.00 H new ATOM 0 HA GLU A 47 -4.141 1.844 3.063 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -3.950 0.781 5.909 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -2.564 0.735 4.837 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -4.168 3.288 5.350 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -2.767 2.845 6.304 1.00 0.00 H new ATOM 738 N TYR A 48 -3.242 -0.664 2.692 1.00 0.00 N ATOM 739 CA TYR A 48 -3.094 -2.044 2.121 1.00 0.00 C ATOM 740 C TYR A 48 -1.742 -2.626 2.536 1.00 0.00 C ATOM 741 O TYR A 48 -0.710 -2.013 2.358 1.00 0.00 O ATOM 742 CB TYR A 48 -3.166 -1.975 0.595 1.00 0.00 C ATOM 743 CG TYR A 48 -4.573 -1.616 0.172 1.00 0.00 C ATOM 744 CD1 TYR A 48 -5.630 -2.512 0.418 1.00 0.00 C ATOM 745 CD2 TYR A 48 -4.826 -0.388 -0.471 1.00 0.00 C ATOM 746 CE1 TYR A 48 -6.941 -2.180 0.023 1.00 0.00 C ATOM 747 CE2 TYR A 48 -6.136 -0.057 -0.864 1.00 0.00 C ATOM 748 CZ TYR A 48 -7.193 -0.953 -0.618 1.00 0.00 C ATOM 749 OH TYR A 48 -8.478 -0.627 -1.004 1.00 0.00 O ATOM 0 H TYR A 48 -2.420 -0.068 2.592 1.00 0.00 H new ATOM 0 HA TYR A 48 -3.896 -2.679 2.497 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -2.462 -1.232 0.220 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -2.878 -2.934 0.163 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -5.436 -3.454 0.909 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -4.015 0.299 -0.662 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -7.752 -2.867 0.212 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -6.330 0.885 -1.355 1.00 0.00 H new ATOM 0 HH TYR A 48 -8.698 0.272 -0.683 1.00 0.00 H new ATOM 759 N ASN A 49 -1.732 -3.810 3.084 1.00 0.00 N ATOM 760 CA ASN A 49 -0.440 -4.423 3.500 1.00 0.00 C ATOM 761 C ASN A 49 0.300 -4.925 2.256 1.00 0.00 C ATOM 762 O ASN A 49 -0.149 -5.824 1.573 1.00 0.00 O ATOM 763 CB ASN A 49 -0.714 -5.589 4.452 1.00 0.00 C ATOM 764 CG ASN A 49 0.590 -6.008 5.135 1.00 0.00 C ATOM 765 OD1 ASN A 49 1.665 -5.726 4.644 1.00 0.00 O ATOM 766 ND2 ASN A 49 0.539 -6.674 6.256 1.00 0.00 N ATOM 0 H ASN A 49 -2.561 -4.378 3.261 1.00 0.00 H new ATOM 0 HA ASN A 49 0.175 -3.683 4.012 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -1.451 -5.296 5.200 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -1.135 -6.430 3.902 1.00 0.00 H new ATOM 0 HD21 ASN A 49 1.402 -6.958 6.720 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -0.364 -6.911 6.668 1.00 0.00 H new ATOM 773 N ALA A 50 1.422 -4.333 1.950 1.00 0.00 N ATOM 774 CA ALA A 50 2.194 -4.749 0.742 1.00 0.00 C ATOM 775 C ALA A 50 2.480 -6.252 0.771 1.00 0.00 C ATOM 776 O ALA A 50 2.651 -6.875 -0.259 1.00 0.00 O ATOM 777 CB ALA A 50 3.520 -3.988 0.703 1.00 0.00 C ATOM 0 H ALA A 50 1.841 -3.574 2.488 1.00 0.00 H new ATOM 0 HA ALA A 50 1.601 -4.522 -0.144 1.00 0.00 H new ATOM 0 HB1 ALA A 50 4.087 -4.289 -0.178 1.00 0.00 H new ATOM 0 HB2 ALA A 50 3.324 -2.917 0.659 1.00 0.00 H new ATOM 0 HB3 ALA A 50 4.096 -4.215 1.600 1.00 0.00 H new ATOM 783 N ASN A 51 2.549 -6.844 1.931 1.00 0.00 N ATOM 784 CA ASN A 51 2.843 -8.305 1.998 1.00 0.00 C ATOM 785 C ASN A 51 1.659 -9.104 1.450 1.00 0.00 C ATOM 786 O ASN A 51 1.785 -10.265 1.115 1.00 0.00 O ATOM 787 CB ASN A 51 3.103 -8.708 3.453 1.00 0.00 C ATOM 788 CG ASN A 51 1.832 -8.504 4.281 1.00 0.00 C ATOM 789 OD1 ASN A 51 0.780 -8.219 3.746 1.00 0.00 O ATOM 790 ND2 ASN A 51 1.887 -8.639 5.578 1.00 0.00 N ATOM 0 H ASN A 51 2.416 -6.384 2.831 1.00 0.00 H new ATOM 0 HA ASN A 51 3.726 -8.519 1.396 1.00 0.00 H new ATOM 0 HB2 ASN A 51 3.416 -9.751 3.501 1.00 0.00 H new ATOM 0 HB3 ASN A 51 3.917 -8.112 3.866 1.00 0.00 H new ATOM 0 HD21 ASN A 51 1.047 -8.505 6.141 1.00 0.00 H new ATOM 0 HD22 ASN A 51 2.770 -8.878 6.029 1.00 0.00 H new ATOM 797 N SER A 52 0.508 -8.495 1.355 1.00 0.00 N ATOM 798 CA SER A 52 -0.687 -9.222 0.831 1.00 0.00 C ATOM 799 C SER A 52 -0.778 -9.043 -0.691 1.00 0.00 C ATOM 800 O SER A 52 -1.450 -9.793 -1.371 1.00 0.00 O ATOM 801 CB SER A 52 -1.943 -8.654 1.493 1.00 0.00 C ATOM 802 OG SER A 52 -2.052 -9.174 2.812 1.00 0.00 O ATOM 0 H SER A 52 0.342 -7.524 1.618 1.00 0.00 H new ATOM 0 HA SER A 52 -0.599 -10.285 1.057 1.00 0.00 H new ATOM 0 HB2 SER A 52 -1.893 -7.566 1.521 1.00 0.00 H new ATOM 0 HB3 SER A 52 -2.826 -8.918 0.911 1.00 0.00 H new ATOM 0 HG SER A 52 -1.230 -8.980 3.309 1.00 0.00 H new ATOM 808 N LEU A 53 -0.110 -8.059 -1.228 1.00 0.00 N ATOM 809 CA LEU A 53 -0.167 -7.836 -2.704 1.00 0.00 C ATOM 810 C LEU A 53 0.551 -8.999 -3.422 1.00 0.00 C ATOM 811 O LEU A 53 1.488 -9.549 -2.876 1.00 0.00 O ATOM 812 CB LEU A 53 0.552 -6.525 -3.040 1.00 0.00 C ATOM 813 CG LEU A 53 -0.134 -5.349 -2.336 1.00 0.00 C ATOM 814 CD1 LEU A 53 0.662 -4.070 -2.615 1.00 0.00 C ATOM 815 CD2 LEU A 53 -1.575 -5.185 -2.856 1.00 0.00 C ATOM 0 H LEU A 53 0.472 -7.400 -0.711 1.00 0.00 H new ATOM 0 HA LEU A 53 -1.206 -7.786 -3.029 1.00 0.00 H new ATOM 0 HB2 LEU A 53 1.596 -6.585 -2.731 1.00 0.00 H new ATOM 0 HB3 LEU A 53 0.548 -6.365 -4.118 1.00 0.00 H new ATOM 0 HG LEU A 53 -0.169 -5.540 -1.263 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.182 -3.227 -2.118 1.00 0.00 H new ATOM 0 HD12 LEU A 53 1.678 -4.184 -2.236 1.00 0.00 H new ATOM 0 HD13 LEU A 53 0.693 -3.888 -3.689 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -2.052 -4.347 -2.348 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -1.555 -4.996 -3.929 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -2.139 -6.097 -2.659 1.00 0.00 H new ATOM 827 N PRO A 54 0.119 -9.347 -4.626 1.00 0.00 N ATOM 828 CA PRO A 54 0.769 -10.437 -5.379 1.00 0.00 C ATOM 829 C PRO A 54 2.262 -10.120 -5.561 1.00 0.00 C ATOM 830 O PRO A 54 2.845 -9.373 -4.801 1.00 0.00 O ATOM 831 CB PRO A 54 0.029 -10.485 -6.740 1.00 0.00 C ATOM 832 CG PRO A 54 -1.031 -9.346 -6.733 1.00 0.00 C ATOM 833 CD PRO A 54 -1.022 -8.710 -5.326 1.00 0.00 C ATOM 0 HA PRO A 54 0.713 -11.398 -4.868 1.00 0.00 H new ATOM 0 HB2 PRO A 54 0.731 -10.351 -7.563 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -0.449 -11.454 -6.883 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -0.797 -8.600 -7.492 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -2.019 -9.741 -6.969 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -0.897 -7.629 -5.382 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -1.960 -8.896 -4.803 1.00 0.00 H new ATOM 841 N VAL A 55 2.883 -10.688 -6.562 1.00 0.00 N ATOM 842 CA VAL A 55 4.337 -10.428 -6.796 1.00 0.00 C ATOM 843 C VAL A 55 4.504 -9.322 -7.842 1.00 0.00 C ATOM 844 O VAL A 55 5.407 -8.512 -7.763 1.00 0.00 O ATOM 845 CB VAL A 55 4.996 -11.706 -7.312 1.00 0.00 C ATOM 846 CG1 VAL A 55 6.509 -11.502 -7.394 1.00 0.00 C ATOM 847 CG2 VAL A 55 4.688 -12.860 -6.356 1.00 0.00 C ATOM 0 H VAL A 55 2.445 -11.323 -7.230 1.00 0.00 H new ATOM 0 HA VAL A 55 4.804 -10.116 -5.862 1.00 0.00 H new ATOM 0 HB VAL A 55 4.607 -11.941 -8.303 1.00 0.00 H new ATOM 0 HG11 VAL A 55 6.980 -12.414 -7.762 1.00 0.00 H new ATOM 0 HG12 VAL A 55 6.729 -10.680 -8.075 1.00 0.00 H new ATOM 0 HG13 VAL A 55 6.899 -11.267 -6.404 1.00 0.00 H new ATOM 0 HG21 VAL A 55 5.158 -13.772 -6.724 1.00 0.00 H new ATOM 0 HG22 VAL A 55 5.077 -12.625 -5.365 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.609 -13.006 -6.297 1.00 0.00 H new ATOM 857 N GLU A 56 3.649 -9.289 -8.828 1.00 0.00 N ATOM 858 CA GLU A 56 3.768 -8.245 -9.885 1.00 0.00 C ATOM 859 C GLU A 56 3.668 -6.851 -9.261 1.00 0.00 C ATOM 860 O GLU A 56 4.332 -5.924 -9.684 1.00 0.00 O ATOM 861 CB GLU A 56 2.642 -8.425 -10.906 1.00 0.00 C ATOM 862 CG GLU A 56 2.823 -9.756 -11.638 1.00 0.00 C ATOM 863 CD GLU A 56 4.040 -9.671 -12.561 1.00 0.00 C ATOM 864 OE1 GLU A 56 4.120 -8.715 -13.315 1.00 0.00 O ATOM 865 OE2 GLU A 56 4.870 -10.562 -12.498 1.00 0.00 O ATOM 0 H GLU A 56 2.873 -9.940 -8.947 1.00 0.00 H new ATOM 0 HA GLU A 56 4.735 -8.347 -10.379 1.00 0.00 H new ATOM 0 HB2 GLU A 56 1.675 -8.403 -10.404 1.00 0.00 H new ATOM 0 HB3 GLU A 56 2.649 -7.601 -11.620 1.00 0.00 H new ATOM 0 HG2 GLU A 56 2.955 -10.564 -10.918 1.00 0.00 H new ATOM 0 HG3 GLU A 56 1.930 -9.989 -12.218 1.00 0.00 H new ATOM 872 N ALA A 57 2.843 -6.688 -8.262 1.00 0.00 N ATOM 873 CA ALA A 57 2.709 -5.346 -7.626 1.00 0.00 C ATOM 874 C ALA A 57 3.879 -5.114 -6.667 1.00 0.00 C ATOM 875 O ALA A 57 4.356 -4.009 -6.516 1.00 0.00 O ATOM 876 CB ALA A 57 1.388 -5.276 -6.855 1.00 0.00 C ATOM 0 H ALA A 57 2.259 -7.422 -7.861 1.00 0.00 H new ATOM 0 HA ALA A 57 2.718 -4.576 -8.397 1.00 0.00 H new ATOM 0 HB1 ALA A 57 1.290 -4.295 -6.390 1.00 0.00 H new ATOM 0 HB2 ALA A 57 0.557 -5.437 -7.542 1.00 0.00 H new ATOM 0 HB3 ALA A 57 1.376 -6.046 -6.084 1.00 0.00 H new ATOM 882 N LYS A 58 4.347 -6.145 -6.020 1.00 0.00 N ATOM 883 CA LYS A 58 5.489 -5.974 -5.076 1.00 0.00 C ATOM 884 C LYS A 58 6.668 -5.331 -5.817 1.00 0.00 C ATOM 885 O LYS A 58 7.274 -4.389 -5.346 1.00 0.00 O ATOM 886 CB LYS A 58 5.916 -7.350 -4.536 1.00 0.00 C ATOM 887 CG LYS A 58 5.059 -7.736 -3.319 1.00 0.00 C ATOM 888 CD LYS A 58 5.356 -6.793 -2.125 1.00 0.00 C ATOM 889 CE LYS A 58 5.262 -7.562 -0.804 1.00 0.00 C ATOM 890 NZ LYS A 58 6.537 -8.295 -0.564 1.00 0.00 N ATOM 0 H LYS A 58 3.990 -7.097 -6.103 1.00 0.00 H new ATOM 0 HA LYS A 58 5.185 -5.335 -4.247 1.00 0.00 H new ATOM 0 HB2 LYS A 58 5.811 -8.103 -5.317 1.00 0.00 H new ATOM 0 HB3 LYS A 58 6.969 -7.327 -4.255 1.00 0.00 H new ATOM 0 HG2 LYS A 58 4.002 -7.681 -3.579 1.00 0.00 H new ATOM 0 HG3 LYS A 58 5.264 -8.768 -3.035 1.00 0.00 H new ATOM 0 HD2 LYS A 58 6.351 -6.362 -2.232 1.00 0.00 H new ATOM 0 HD3 LYS A 58 4.648 -5.964 -2.122 1.00 0.00 H new ATOM 0 HE2 LYS A 58 5.066 -6.873 0.017 1.00 0.00 H new ATOM 0 HE3 LYS A 58 4.428 -8.263 -0.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 6.474 -8.817 0.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 6.705 -8.963 -1.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 7.324 -7.616 -0.515 1.00 0.00 H new ATOM 904 N ALA A 59 7.005 -5.845 -6.968 1.00 0.00 N ATOM 905 CA ALA A 59 8.151 -5.279 -7.734 1.00 0.00 C ATOM 906 C ALA A 59 7.863 -3.824 -8.112 1.00 0.00 C ATOM 907 O ALA A 59 8.616 -2.930 -7.785 1.00 0.00 O ATOM 908 CB ALA A 59 8.365 -6.100 -9.008 1.00 0.00 C ATOM 0 H ALA A 59 6.535 -6.634 -7.412 1.00 0.00 H new ATOM 0 HA ALA A 59 9.047 -5.317 -7.114 1.00 0.00 H new ATOM 0 HB1 ALA A 59 9.203 -5.688 -9.570 1.00 0.00 H new ATOM 0 HB2 ALA A 59 8.581 -7.135 -8.742 1.00 0.00 H new ATOM 0 HB3 ALA A 59 7.464 -6.063 -9.620 1.00 0.00 H new ATOM 914 N ALA A 60 6.786 -3.581 -8.807 1.00 0.00 N ATOM 915 CA ALA A 60 6.464 -2.183 -9.216 1.00 0.00 C ATOM 916 C ALA A 60 6.189 -1.325 -7.979 1.00 0.00 C ATOM 917 O ALA A 60 6.312 -0.117 -8.011 1.00 0.00 O ATOM 918 CB ALA A 60 5.227 -2.190 -10.112 1.00 0.00 C ATOM 0 H ALA A 60 6.116 -4.288 -9.109 1.00 0.00 H new ATOM 0 HA ALA A 60 7.312 -1.765 -9.759 1.00 0.00 H new ATOM 0 HB1 ALA A 60 4.989 -1.169 -10.412 1.00 0.00 H new ATOM 0 HB2 ALA A 60 5.423 -2.793 -10.999 1.00 0.00 H new ATOM 0 HB3 ALA A 60 4.384 -2.613 -9.565 1.00 0.00 H new ATOM 924 N LEU A 61 5.816 -1.935 -6.889 1.00 0.00 N ATOM 925 CA LEU A 61 5.537 -1.143 -5.657 1.00 0.00 C ATOM 926 C LEU A 61 6.829 -0.473 -5.183 1.00 0.00 C ATOM 927 O LEU A 61 7.040 0.707 -5.384 1.00 0.00 O ATOM 928 CB LEU A 61 4.999 -2.075 -4.561 1.00 0.00 C ATOM 929 CG LEU A 61 4.938 -1.341 -3.215 1.00 0.00 C ATOM 930 CD1 LEU A 61 4.197 -0.008 -3.376 1.00 0.00 C ATOM 931 CD2 LEU A 61 4.198 -2.219 -2.203 1.00 0.00 C ATOM 0 H LEU A 61 5.692 -2.943 -6.797 1.00 0.00 H new ATOM 0 HA LEU A 61 4.792 -0.377 -5.872 1.00 0.00 H new ATOM 0 HB2 LEU A 61 4.005 -2.431 -4.833 1.00 0.00 H new ATOM 0 HB3 LEU A 61 5.640 -2.953 -4.475 1.00 0.00 H new ATOM 0 HG LEU A 61 5.951 -1.141 -2.864 1.00 0.00 H new ATOM 0 HD11 LEU A 61 4.159 0.505 -2.415 1.00 0.00 H new ATOM 0 HD12 LEU A 61 4.722 0.615 -4.100 1.00 0.00 H new ATOM 0 HD13 LEU A 61 3.182 -0.196 -3.727 1.00 0.00 H new ATOM 0 HD21 LEU A 61 4.150 -1.706 -1.243 1.00 0.00 H new ATOM 0 HD22 LEU A 61 3.187 -2.415 -2.561 1.00 0.00 H new ATOM 0 HD23 LEU A 61 4.729 -3.163 -2.083 1.00 0.00 H new ATOM 943 N LEU A 62 7.691 -1.220 -4.550 1.00 0.00 N ATOM 944 CA LEU A 62 8.967 -0.633 -4.053 1.00 0.00 C ATOM 945 C LEU A 62 9.677 0.113 -5.184 1.00 0.00 C ATOM 946 O LEU A 62 10.591 0.879 -4.956 1.00 0.00 O ATOM 947 CB LEU A 62 9.875 -1.747 -3.503 1.00 0.00 C ATOM 948 CG LEU A 62 10.053 -2.888 -4.543 1.00 0.00 C ATOM 949 CD1 LEU A 62 11.311 -2.659 -5.394 1.00 0.00 C ATOM 950 CD2 LEU A 62 10.194 -4.231 -3.815 1.00 0.00 C ATOM 0 H LEU A 62 7.566 -2.213 -4.355 1.00 0.00 H new ATOM 0 HA LEU A 62 8.746 0.072 -3.252 1.00 0.00 H new ATOM 0 HB2 LEU A 62 10.849 -1.332 -3.244 1.00 0.00 H new ATOM 0 HB3 LEU A 62 9.446 -2.150 -2.586 1.00 0.00 H new ATOM 0 HG LEU A 62 9.177 -2.897 -5.192 1.00 0.00 H new ATOM 0 HD11 LEU A 62 11.415 -3.470 -6.115 1.00 0.00 H new ATOM 0 HD12 LEU A 62 11.224 -1.711 -5.925 1.00 0.00 H new ATOM 0 HD13 LEU A 62 12.188 -2.633 -4.747 1.00 0.00 H new ATOM 0 HD21 LEU A 62 10.319 -5.030 -4.546 1.00 0.00 H new ATOM 0 HD22 LEU A 62 11.064 -4.200 -3.159 1.00 0.00 H new ATOM 0 HD23 LEU A 62 9.299 -4.419 -3.221 1.00 0.00 H new ATOM 962 N LEU A 63 9.268 -0.099 -6.404 1.00 0.00 N ATOM 963 CA LEU A 63 9.928 0.612 -7.536 1.00 0.00 C ATOM 964 C LEU A 63 9.582 2.101 -7.466 1.00 0.00 C ATOM 965 O LEU A 63 10.447 2.953 -7.500 1.00 0.00 O ATOM 966 CB LEU A 63 9.434 0.032 -8.868 1.00 0.00 C ATOM 967 CG LEU A 63 10.276 0.585 -10.037 1.00 0.00 C ATOM 968 CD1 LEU A 63 11.575 -0.218 -10.189 1.00 0.00 C ATOM 969 CD2 LEU A 63 9.475 0.478 -11.340 1.00 0.00 C ATOM 0 H LEU A 63 8.510 -0.730 -6.666 1.00 0.00 H new ATOM 0 HA LEU A 63 11.008 0.483 -7.467 1.00 0.00 H new ATOM 0 HB2 LEU A 63 9.500 -1.056 -8.846 1.00 0.00 H new ATOM 0 HB3 LEU A 63 8.384 0.285 -9.016 1.00 0.00 H new ATOM 0 HG LEU A 63 10.519 1.627 -9.827 1.00 0.00 H new ATOM 0 HD11 LEU A 63 12.157 0.185 -11.018 1.00 0.00 H new ATOM 0 HD12 LEU A 63 12.156 -0.148 -9.269 1.00 0.00 H new ATOM 0 HD13 LEU A 63 11.336 -1.263 -10.388 1.00 0.00 H new ATOM 0 HD21 LEU A 63 10.070 0.869 -12.166 1.00 0.00 H new ATOM 0 HD22 LEU A 63 9.230 -0.567 -11.532 1.00 0.00 H new ATOM 0 HD23 LEU A 63 8.555 1.056 -11.250 1.00 0.00 H new ATOM 981 N ARG A 64 8.318 2.420 -7.373 1.00 0.00 N ATOM 982 CA ARG A 64 7.915 3.853 -7.307 1.00 0.00 C ATOM 983 C ARG A 64 8.208 4.422 -5.913 1.00 0.00 C ATOM 984 O ARG A 64 7.832 5.535 -5.600 1.00 0.00 O ATOM 985 CB ARG A 64 6.418 3.976 -7.603 1.00 0.00 C ATOM 986 CG ARG A 64 5.632 2.992 -6.728 1.00 0.00 C ATOM 987 CD ARG A 64 4.153 3.384 -6.718 1.00 0.00 C ATOM 988 NE ARG A 64 4.010 4.776 -6.207 1.00 0.00 N ATOM 989 CZ ARG A 64 2.895 5.429 -6.394 1.00 0.00 C ATOM 990 NH1 ARG A 64 1.907 4.863 -7.032 1.00 0.00 N ATOM 991 NH2 ARG A 64 2.769 6.649 -5.946 1.00 0.00 N ATOM 0 H ARG A 64 7.549 1.750 -7.340 1.00 0.00 H new ATOM 0 HA ARG A 64 8.484 4.416 -8.047 1.00 0.00 H new ATOM 0 HB2 ARG A 64 6.083 4.995 -7.411 1.00 0.00 H new ATOM 0 HB3 ARG A 64 6.228 3.771 -8.657 1.00 0.00 H new ATOM 0 HG2 ARG A 64 5.747 1.978 -7.110 1.00 0.00 H new ATOM 0 HG3 ARG A 64 6.027 2.997 -5.712 1.00 0.00 H new ATOM 0 HD2 ARG A 64 3.740 3.311 -7.724 1.00 0.00 H new ATOM 0 HD3 ARG A 64 3.588 2.695 -6.090 1.00 0.00 H new ATOM 0 HE ARG A 64 4.783 5.219 -5.711 1.00 0.00 H new ATOM 0 HH11 ARG A 64 2.006 3.911 -7.384 1.00 0.00 H new ATOM 0 HH12 ARG A 64 1.036 5.373 -7.178 1.00 0.00 H new ATOM 0 HH21 ARG A 64 3.542 7.092 -5.450 1.00 0.00 H new ATOM 0 HH22 ARG A 64 1.898 7.159 -6.092 1.00 0.00 H new ATOM 1005 N GLN A 65 8.878 3.675 -5.074 1.00 0.00 N ATOM 1006 CA GLN A 65 9.192 4.182 -3.704 1.00 0.00 C ATOM 1007 C GLN A 65 10.550 4.891 -3.730 1.00 0.00 C ATOM 1008 O GLN A 65 11.542 4.370 -3.260 1.00 0.00 O ATOM 1009 CB GLN A 65 9.246 2.999 -2.729 1.00 0.00 C ATOM 1010 CG GLN A 65 7.824 2.591 -2.329 1.00 0.00 C ATOM 1011 CD GLN A 65 7.218 3.666 -1.425 1.00 0.00 C ATOM 1012 OE1 GLN A 65 6.451 4.494 -1.877 1.00 0.00 O ATOM 1013 NE2 GLN A 65 7.531 3.690 -0.158 1.00 0.00 N ATOM 0 H GLN A 65 9.221 2.736 -5.278 1.00 0.00 H new ATOM 0 HA GLN A 65 8.422 4.883 -3.381 1.00 0.00 H new ATOM 0 HB2 GLN A 65 9.759 2.157 -3.193 1.00 0.00 H new ATOM 0 HB3 GLN A 65 9.819 3.272 -1.843 1.00 0.00 H new ATOM 0 HG2 GLN A 65 7.208 2.460 -3.219 1.00 0.00 H new ATOM 0 HG3 GLN A 65 7.842 1.633 -1.810 1.00 0.00 H new ATOM 0 HE21 GLN A 65 8.174 2.996 0.222 1.00 0.00 H new ATOM 0 HE22 GLN A 65 7.132 4.403 0.452 1.00 0.00 H new ATOM 1022 N GLY A 66 10.600 6.076 -4.274 1.00 0.00 N ATOM 1023 CA GLY A 66 11.892 6.818 -4.329 1.00 0.00 C ATOM 1024 C GLY A 66 12.149 7.495 -2.982 1.00 0.00 C ATOM 1025 O GLY A 66 13.105 8.228 -2.815 1.00 0.00 O ATOM 0 H GLY A 66 9.802 6.563 -4.683 1.00 0.00 H new ATOM 0 HA2 GLY A 66 12.707 6.134 -4.565 1.00 0.00 H new ATOM 0 HA3 GLY A 66 11.862 7.564 -5.123 1.00 0.00 H new ATOM 1029 N GLU A 67 11.302 7.258 -2.017 1.00 0.00 N ATOM 1030 CA GLU A 67 11.498 7.890 -0.681 1.00 0.00 C ATOM 1031 C GLU A 67 12.684 7.227 0.026 1.00 0.00 C ATOM 1032 O GLU A 67 13.828 7.507 -0.271 1.00 0.00 O ATOM 1033 CB GLU A 67 10.224 7.719 0.152 1.00 0.00 C ATOM 1034 CG GLU A 67 10.381 8.441 1.497 1.00 0.00 C ATOM 1035 CD GLU A 67 9.004 8.658 2.129 1.00 0.00 C ATOM 1036 OE1 GLU A 67 8.159 9.243 1.471 1.00 0.00 O ATOM 1037 OE2 GLU A 67 8.819 8.235 3.258 1.00 0.00 O ATOM 0 H GLU A 67 10.483 6.655 -2.096 1.00 0.00 H new ATOM 0 HA GLU A 67 11.705 8.953 -0.801 1.00 0.00 H new ATOM 0 HB2 GLU A 67 9.368 8.122 -0.389 1.00 0.00 H new ATOM 0 HB3 GLU A 67 10.027 6.660 0.318 1.00 0.00 H new ATOM 0 HG2 GLU A 67 11.010 7.853 2.165 1.00 0.00 H new ATOM 0 HG3 GLU A 67 10.880 9.399 1.351 1.00 0.00 H new ATOM 1044 N ILE A 68 12.427 6.346 0.958 1.00 0.00 N ATOM 1045 CA ILE A 68 13.541 5.667 1.677 1.00 0.00 C ATOM 1046 C ILE A 68 14.462 6.721 2.313 1.00 0.00 C ATOM 1047 O ILE A 68 15.439 6.405 2.959 1.00 0.00 O ATOM 1048 CB ILE A 68 14.323 4.818 0.670 1.00 0.00 C ATOM 1049 CG1 ILE A 68 13.336 4.080 -0.245 1.00 0.00 C ATOM 1050 CG2 ILE A 68 15.186 3.789 1.407 1.00 0.00 C ATOM 1051 CD1 ILE A 68 14.095 3.112 -1.158 1.00 0.00 C ATOM 0 H ILE A 68 11.490 6.068 1.251 1.00 0.00 H new ATOM 0 HA ILE A 68 13.147 5.028 2.467 1.00 0.00 H new ATOM 0 HB ILE A 68 14.966 5.470 0.079 1.00 0.00 H new ATOM 0 HG12 ILE A 68 12.609 3.533 0.356 1.00 0.00 H new ATOM 0 HG13 ILE A 68 12.777 4.798 -0.846 1.00 0.00 H new ATOM 0 HG21 ILE A 68 15.738 3.191 0.682 1.00 0.00 H new ATOM 0 HG22 ILE A 68 15.889 4.305 2.061 1.00 0.00 H new ATOM 0 HG23 ILE A 68 14.547 3.138 2.003 1.00 0.00 H new ATOM 0 HD11 ILE A 68 13.388 2.592 -1.804 1.00 0.00 H new ATOM 0 HD12 ILE A 68 14.804 3.669 -1.770 1.00 0.00 H new ATOM 0 HD13 ILE A 68 14.633 2.385 -0.550 1.00 0.00 H new ATOM 1063 N GLU A 69 14.152 7.976 2.144 1.00 0.00 N ATOM 1064 CA GLU A 69 15.005 9.042 2.743 1.00 0.00 C ATOM 1065 C GLU A 69 16.448 8.864 2.268 1.00 0.00 C ATOM 1066 O GLU A 69 17.345 9.554 2.710 1.00 0.00 O ATOM 1067 CB GLU A 69 14.953 8.942 4.269 1.00 0.00 C ATOM 1068 CG GLU A 69 13.504 8.752 4.719 1.00 0.00 C ATOM 1069 CD GLU A 69 13.444 8.716 6.247 1.00 0.00 C ATOM 1070 OE1 GLU A 69 13.914 7.745 6.816 1.00 0.00 O ATOM 1071 OE2 GLU A 69 12.929 9.660 6.823 1.00 0.00 O ATOM 0 H GLU A 69 13.345 8.310 1.617 1.00 0.00 H new ATOM 0 HA GLU A 69 14.637 10.020 2.432 1.00 0.00 H new ATOM 0 HB2 GLU A 69 15.563 8.106 4.610 1.00 0.00 H new ATOM 0 HB3 GLU A 69 15.369 9.844 4.718 1.00 0.00 H new ATOM 0 HG2 GLU A 69 12.885 9.565 4.339 1.00 0.00 H new ATOM 0 HG3 GLU A 69 13.103 7.826 4.307 1.00 0.00 H new ATOM 1078 N THR A 70 16.676 7.947 1.364 1.00 0.00 N ATOM 1079 CA THR A 70 18.052 7.717 0.845 1.00 0.00 C ATOM 1080 C THR A 70 19.053 7.706 2.007 1.00 0.00 C ATOM 1081 O THR A 70 18.677 7.652 3.160 1.00 0.00 O ATOM 1082 CB THR A 70 18.417 8.830 -0.154 1.00 0.00 C ATOM 1083 OG1 THR A 70 19.215 9.812 0.493 1.00 0.00 O ATOM 1084 CG2 THR A 70 17.147 9.490 -0.701 1.00 0.00 C ATOM 0 H THR A 70 15.959 7.343 0.961 1.00 0.00 H new ATOM 0 HA THR A 70 18.090 6.753 0.338 1.00 0.00 H new ATOM 0 HB THR A 70 18.975 8.389 -0.980 1.00 0.00 H new ATOM 0 HG1 THR A 70 19.447 10.518 -0.146 1.00 0.00 H new ATOM 0 HG21 THR A 70 17.420 10.275 -1.406 1.00 0.00 H new ATOM 0 HG22 THR A 70 16.538 8.742 -1.209 1.00 0.00 H new ATOM 0 HG23 THR A 70 16.579 9.923 0.122 1.00 0.00 H new ATOM 1092 N SER A 71 20.324 7.757 1.705 1.00 0.00 N ATOM 1093 CA SER A 71 21.361 7.748 2.781 1.00 0.00 C ATOM 1094 C SER A 71 21.514 6.328 3.337 1.00 0.00 C ATOM 1095 O SER A 71 22.603 5.793 3.409 1.00 0.00 O ATOM 1096 CB SER A 71 20.956 8.718 3.902 1.00 0.00 C ATOM 1097 OG SER A 71 22.128 9.279 4.479 1.00 0.00 O ATOM 0 H SER A 71 20.691 7.805 0.754 1.00 0.00 H new ATOM 0 HA SER A 71 22.316 8.070 2.366 1.00 0.00 H new ATOM 0 HB2 SER A 71 20.318 9.507 3.504 1.00 0.00 H new ATOM 0 HB3 SER A 71 20.377 8.193 4.662 1.00 0.00 H new ATOM 0 HG SER A 71 21.876 9.900 5.194 1.00 0.00 H new ATOM 1103 N LEU A 72 20.433 5.715 3.728 1.00 0.00 N ATOM 1104 CA LEU A 72 20.512 4.332 4.278 1.00 0.00 C ATOM 1105 C LEU A 72 21.617 4.265 5.335 1.00 0.00 C ATOM 1106 O LEU A 72 22.637 3.634 5.140 1.00 0.00 O ATOM 1107 CB LEU A 72 20.826 3.349 3.145 1.00 0.00 C ATOM 1108 CG LEU A 72 19.568 3.109 2.300 1.00 0.00 C ATOM 1109 CD1 LEU A 72 19.175 4.397 1.564 1.00 0.00 C ATOM 1110 CD2 LEU A 72 19.851 2.002 1.281 1.00 0.00 C ATOM 0 H LEU A 72 19.494 6.113 3.691 1.00 0.00 H new ATOM 0 HA LEU A 72 19.558 4.067 4.734 1.00 0.00 H new ATOM 0 HB2 LEU A 72 21.625 3.745 2.519 1.00 0.00 H new ATOM 0 HB3 LEU A 72 21.183 2.406 3.558 1.00 0.00 H new ATOM 0 HG LEU A 72 18.747 2.810 2.952 1.00 0.00 H new ATOM 0 HD11 LEU A 72 18.281 4.217 0.967 1.00 0.00 H new ATOM 0 HD12 LEU A 72 18.973 5.184 2.291 1.00 0.00 H new ATOM 0 HD13 LEU A 72 19.991 4.706 0.911 1.00 0.00 H new ATOM 0 HD21 LEU A 72 18.960 1.827 0.677 1.00 0.00 H new ATOM 0 HD22 LEU A 72 20.674 2.305 0.634 1.00 0.00 H new ATOM 0 HD23 LEU A 72 20.120 1.085 1.805 1.00 0.00 H new ATOM 1122 N GLY A 73 21.423 4.909 6.453 1.00 0.00 N ATOM 1123 CA GLY A 73 22.463 4.880 7.520 1.00 0.00 C ATOM 1124 C GLY A 73 22.872 3.433 7.794 1.00 0.00 C ATOM 1125 O GLY A 73 23.862 3.171 8.446 1.00 0.00 O ATOM 0 H GLY A 73 20.590 5.454 6.674 1.00 0.00 H new ATOM 0 HA2 GLY A 73 23.331 5.462 7.212 1.00 0.00 H new ATOM 0 HA3 GLY A 73 22.078 5.339 8.431 1.00 0.00 H new ATOM 1129 N TYR A 74 22.115 2.491 7.301 1.00 0.00 N ATOM 1130 CA TYR A 74 22.454 1.057 7.532 1.00 0.00 C ATOM 1131 C TYR A 74 22.459 0.771 9.035 1.00 0.00 C ATOM 1132 O TYR A 74 22.734 -0.331 9.468 1.00 0.00 O ATOM 1133 CB TYR A 74 23.840 0.757 6.941 1.00 0.00 C ATOM 1134 CG TYR A 74 23.998 -0.732 6.732 1.00 0.00 C ATOM 1135 CD1 TYR A 74 23.612 -1.313 5.509 1.00 0.00 C ATOM 1136 CD2 TYR A 74 24.532 -1.535 7.757 1.00 0.00 C ATOM 1137 CE1 TYR A 74 23.760 -2.699 5.311 1.00 0.00 C ATOM 1138 CE2 TYR A 74 24.680 -2.922 7.559 1.00 0.00 C ATOM 1139 CZ TYR A 74 24.293 -3.504 6.336 1.00 0.00 C ATOM 1140 OH TYR A 74 24.437 -4.862 6.142 1.00 0.00 O ATOM 0 H TYR A 74 21.274 2.653 6.747 1.00 0.00 H new ATOM 0 HA TYR A 74 21.712 0.423 7.047 1.00 0.00 H new ATOM 0 HB2 TYR A 74 23.962 1.281 5.993 1.00 0.00 H new ATOM 0 HB3 TYR A 74 24.618 1.124 7.611 1.00 0.00 H new ATOM 0 HD1 TYR A 74 23.203 -0.696 4.723 1.00 0.00 H new ATOM 0 HD2 TYR A 74 24.828 -1.088 8.695 1.00 0.00 H new ATOM 0 HE1 TYR A 74 23.465 -3.145 4.373 1.00 0.00 H new ATOM 0 HE2 TYR A 74 25.090 -3.539 8.345 1.00 0.00 H new ATOM 0 HH TYR A 74 24.820 -5.269 6.947 1.00 0.00 H new ATOM 1150 N PHE A 75 22.153 1.757 9.838 1.00 0.00 N ATOM 1151 CA PHE A 75 22.135 1.551 11.318 1.00 0.00 C ATOM 1152 C PHE A 75 21.031 2.411 11.938 1.00 0.00 C ATOM 1153 O PHE A 75 20.905 2.499 13.144 1.00 0.00 O ATOM 1154 CB PHE A 75 23.487 1.958 11.906 1.00 0.00 C ATOM 1155 CG PHE A 75 24.543 0.966 11.480 1.00 0.00 C ATOM 1156 CD1 PHE A 75 24.593 -0.309 12.076 1.00 0.00 C ATOM 1157 CD2 PHE A 75 25.481 1.316 10.488 1.00 0.00 C ATOM 1158 CE1 PHE A 75 25.577 -1.234 11.681 1.00 0.00 C ATOM 1159 CE2 PHE A 75 26.465 0.389 10.092 1.00 0.00 C ATOM 1160 CZ PHE A 75 26.514 -0.885 10.689 1.00 0.00 C ATOM 0 H PHE A 75 21.914 2.700 9.531 1.00 0.00 H new ATOM 0 HA PHE A 75 21.945 0.500 11.537 1.00 0.00 H new ATOM 0 HB2 PHE A 75 23.756 2.959 11.568 1.00 0.00 H new ATOM 0 HB3 PHE A 75 23.426 1.995 12.994 1.00 0.00 H new ATOM 0 HD1 PHE A 75 23.875 -0.577 12.837 1.00 0.00 H new ATOM 0 HD2 PHE A 75 25.445 2.294 10.032 1.00 0.00 H new ATOM 0 HE1 PHE A 75 25.614 -2.212 12.138 1.00 0.00 H new ATOM 0 HE2 PHE A 75 27.182 0.656 9.330 1.00 0.00 H new ATOM 0 HZ PHE A 75 27.270 -1.595 10.386 1.00 0.00 H new ATOM 1170 N GLU A 76 20.230 3.048 11.127 1.00 0.00 N ATOM 1171 CA GLU A 76 19.136 3.901 11.674 1.00 0.00 C ATOM 1172 C GLU A 76 19.697 4.810 12.772 1.00 0.00 C ATOM 1173 O GLU A 76 20.728 5.431 12.610 1.00 0.00 O ATOM 1174 CB GLU A 76 18.033 3.002 12.252 1.00 0.00 C ATOM 1175 CG GLU A 76 16.719 3.784 12.345 1.00 0.00 C ATOM 1176 CD GLU A 76 15.738 3.032 13.248 1.00 0.00 C ATOM 1177 OE1 GLU A 76 15.007 2.202 12.732 1.00 0.00 O ATOM 1178 OE2 GLU A 76 15.737 3.297 14.438 1.00 0.00 O ATOM 1179 OXT GLU A 76 19.028 4.890 13.890 1.00 0.00 O ATOM 0 H GLU A 76 20.286 3.015 10.109 1.00 0.00 H new ATOM 0 HA GLU A 76 18.718 4.518 10.879 1.00 0.00 H new ATOM 0 HB2 GLU A 76 17.900 2.123 11.621 1.00 0.00 H new ATOM 0 HB3 GLU A 76 18.324 2.644 13.239 1.00 0.00 H new ATOM 0 HG2 GLU A 76 16.905 4.781 12.744 1.00 0.00 H new ATOM 0 HG3 GLU A 76 16.289 3.913 11.352 1.00 0.00 H new TER 1186 GLU A 76