USER MOD reduce.3.24.130724 H: found=0, std=0, add=655, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 652 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 94 ASN : amide:sc= -2.38 K(o=-2.9,f=-5!) USER MOD Set 1.2: A 96 SER OG : rot 180:sc= -0.503 USER MOD Set 2.1: A 84 HIS : no HD1:sc= 0.599 K(o=1.3,f=-0.79) USER MOD Set 2.2: A 88 THR OG1 : rot 174:sc= 0.659 USER MOD Set 3.1: A 5 HIS : no HD1:sc= 0.182 K(o=-1.1,f=-13!) USER MOD Set 3.2: A 86 GLN : amide:sc= -1.26 K(o=-1.1,f=-13!) USER MOD Single : A 6 HIS : no HD1:sc= -0.336 X(o=-0.34,f=-0.021) USER MOD Single : A 9 LYS NZ :NH3+ -122:sc= 0.493 (180deg=-0.084) USER MOD Single : A 10 THR OG1 : rot 22:sc= -3.71! USER MOD Single : A 12 ASN : amide:sc= -14.1! C(o=-14!,f=-18!) USER MOD Single : A 15 SER OG : rot 180:sc= -0.273 USER MOD Single : A 16 SER OG : rot -170:sc= -0.186 USER MOD Single : A 17 ASN : amide:sc=-0.00932 K(o=-0.0093,f=-1.7!) USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= -0.0108 K(o=-0.011,f=-1.3!) USER MOD Single : A 28 LYS NZ :NH3+ 160:sc= -1.53 (180deg=-2!) USER MOD Single : A 32 THR OG1 : rot -107:sc= 0.867 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 CYS SG : rot -134:sc= -1.87! USER MOD Single : A 47 SER OG : rot -170:sc= -5.04! USER MOD Single : A 55 LYS NZ :NH3+ -105:sc= -16.4! (180deg=-20.9!) USER MOD Single : A 56 HIS : no HD1:sc= -0.0941 K(o=-0.094,f=-2.1!) USER MOD Single : A 57 CYS SG : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -2.67! C(o=-2.7!,f=-4.3!) USER MOD Single : A 77 SER OG : rot -26:sc= 0.0753 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 TYR OH : rot 180:sc= -1.03 USER MOD Single : A 87 HIS : no HD1:sc= -0.0434 X(o=-0.043,f=-0.043) USER MOD Single : A 89 SER OG : rot 179:sc= -1.06 USER MOD Single : A 92 GLN : amide:sc= 0 K(o=0,f=-1.7!) USER MOD Single : A 93 HIS : no HD1:sc= 0 X(o=0,f=-0.0078) USER MOD Single : A 98 ASN : amide:sc= -0.827 K(o=-0.83,f=-4!) USER MOD Single : A 100 THR OG1 : rot 147:sc= 0.0306 USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 30 N LEU A 3 93.393 -0.199 -14.184 1.00 0.00 N ATOM 31 CA LEU A 3 93.349 -0.731 -12.789 1.00 0.00 C ATOM 32 C LEU A 3 91.951 -1.309 -12.518 1.00 0.00 C ATOM 33 O LEU A 3 90.958 -0.717 -12.891 1.00 0.00 O ATOM 34 CB LEU A 3 93.619 0.405 -11.794 1.00 0.00 C ATOM 35 CG LEU A 3 95.120 0.683 -11.704 1.00 0.00 C ATOM 36 CD1 LEU A 3 95.827 -0.510 -11.058 1.00 0.00 C ATOM 37 CD2 LEU A 3 95.680 0.911 -13.109 1.00 0.00 C ATOM 0 HA LEU A 3 94.106 -1.506 -12.672 1.00 0.00 H new ATOM 0 HB2 LEU A 3 93.093 1.306 -12.109 1.00 0.00 H new ATOM 0 HB3 LEU A 3 93.232 0.137 -10.811 1.00 0.00 H new ATOM 0 HG LEU A 3 95.288 1.572 -11.096 1.00 0.00 H new ATOM 0 HD11 LEU A 3 96.896 -0.309 -10.995 1.00 0.00 H new ATOM 0 HD12 LEU A 3 95.429 -0.670 -10.056 1.00 0.00 H new ATOM 0 HD13 LEU A 3 95.660 -1.402 -11.662 1.00 0.00 H new ATOM 0 HD21 LEU A 3 96.750 1.109 -13.046 1.00 0.00 H new ATOM 0 HD22 LEU A 3 95.511 0.022 -13.717 1.00 0.00 H new ATOM 0 HD23 LEU A 3 95.179 1.764 -13.566 1.00 0.00 H new ATOM 49 N PRO A 4 91.861 -2.445 -11.867 1.00 0.00 N ATOM 50 CA PRO A 4 90.540 -3.069 -11.555 1.00 0.00 C ATOM 51 C PRO A 4 89.649 -2.120 -10.752 1.00 0.00 C ATOM 52 O PRO A 4 88.468 -2.349 -10.577 1.00 0.00 O ATOM 53 CB PRO A 4 90.872 -4.300 -10.709 1.00 0.00 C ATOM 54 CG PRO A 4 92.347 -4.528 -10.825 1.00 0.00 C ATOM 55 CD PRO A 4 92.987 -3.247 -11.364 1.00 0.00 C ATOM 0 HA PRO A 4 89.996 -3.314 -12.467 1.00 0.00 H new ATOM 0 HB2 PRO A 4 90.587 -4.141 -9.669 1.00 0.00 H new ATOM 0 HB3 PRO A 4 90.319 -5.170 -11.061 1.00 0.00 H new ATOM 0 HG2 PRO A 4 92.770 -4.785 -9.854 1.00 0.00 H new ATOM 0 HG3 PRO A 4 92.551 -5.365 -11.493 1.00 0.00 H new ATOM 0 HD2 PRO A 4 93.531 -2.718 -10.582 1.00 0.00 H new ATOM 0 HD3 PRO A 4 93.702 -3.466 -12.157 1.00 0.00 H new ATOM 63 N HIS A 5 90.221 -1.062 -10.252 1.00 0.00 N ATOM 64 CA HIS A 5 89.438 -0.090 -9.441 1.00 0.00 C ATOM 65 C HIS A 5 88.224 0.398 -10.222 1.00 0.00 C ATOM 66 O HIS A 5 87.241 0.810 -9.650 1.00 0.00 O ATOM 67 CB HIS A 5 90.317 1.107 -9.098 1.00 0.00 C ATOM 68 CG HIS A 5 91.367 0.681 -8.116 1.00 0.00 C ATOM 69 ND1 HIS A 5 91.046 0.031 -6.937 1.00 0.00 N ATOM 70 CD2 HIS A 5 92.732 0.803 -8.122 1.00 0.00 C ATOM 71 CE1 HIS A 5 92.194 -0.215 -6.286 1.00 0.00 C ATOM 72 NE2 HIS A 5 93.255 0.235 -6.964 1.00 0.00 N ATOM 0 H HIS A 5 91.206 -0.827 -10.371 1.00 0.00 H new ATOM 0 HA HIS A 5 89.103 -0.585 -8.530 1.00 0.00 H new ATOM 0 HB2 HIS A 5 90.784 1.501 -10.001 1.00 0.00 H new ATOM 0 HB3 HIS A 5 89.712 1.909 -8.676 1.00 0.00 H new ATOM 0 HD2 HIS A 5 93.313 1.268 -8.905 1.00 0.00 H new ATOM 0 HE1 HIS A 5 92.253 -0.716 -5.331 1.00 0.00 H new ATOM 0 HE2 HIS A 5 94.236 0.175 -6.691 1.00 0.00 H new ATOM 80 N HIS A 6 88.282 0.376 -11.519 1.00 0.00 N ATOM 81 CA HIS A 6 87.120 0.858 -12.312 1.00 0.00 C ATOM 82 C HIS A 6 85.883 0.004 -12.015 1.00 0.00 C ATOM 83 O HIS A 6 84.764 0.470 -12.112 1.00 0.00 O ATOM 84 CB HIS A 6 87.450 0.807 -13.804 1.00 0.00 C ATOM 85 CG HIS A 6 88.439 1.897 -14.128 1.00 0.00 C ATOM 86 ND1 HIS A 6 88.319 2.694 -15.257 1.00 0.00 N ATOM 87 CD2 HIS A 6 89.560 2.342 -13.473 1.00 0.00 C ATOM 88 CE1 HIS A 6 89.342 3.569 -15.245 1.00 0.00 C ATOM 89 NE2 HIS A 6 90.128 3.397 -14.180 1.00 0.00 N ATOM 0 H HIS A 6 89.079 0.047 -12.065 1.00 0.00 H new ATOM 0 HA HIS A 6 86.906 1.889 -12.032 1.00 0.00 H new ATOM 0 HB2 HIS A 6 87.865 -0.167 -14.064 1.00 0.00 H new ATOM 0 HB3 HIS A 6 86.543 0.935 -14.394 1.00 0.00 H new ATOM 0 HD2 HIS A 6 89.943 1.935 -12.549 1.00 0.00 H new ATOM 0 HE1 HIS A 6 89.507 4.319 -16.005 1.00 0.00 H new ATOM 0 HE2 HIS A 6 90.966 3.926 -13.937 1.00 0.00 H new ATOM 97 N ASP A 7 86.059 -1.242 -11.664 1.00 0.00 N ATOM 98 CA ASP A 7 84.875 -2.100 -11.377 1.00 0.00 C ATOM 99 C ASP A 7 84.614 -2.178 -9.869 1.00 0.00 C ATOM 100 O ASP A 7 85.503 -2.435 -9.079 1.00 0.00 O ATOM 101 CB ASP A 7 85.119 -3.506 -11.916 1.00 0.00 C ATOM 102 CG ASP A 7 85.206 -3.460 -13.442 1.00 0.00 C ATOM 103 OD1 ASP A 7 84.681 -2.521 -14.017 1.00 0.00 O ATOM 104 OD2 ASP A 7 85.795 -4.365 -14.010 1.00 0.00 O ATOM 0 H ASP A 7 86.965 -1.700 -11.564 1.00 0.00 H new ATOM 0 HA ASP A 7 84.005 -1.660 -11.863 1.00 0.00 H new ATOM 0 HB2 ASP A 7 86.042 -3.911 -11.501 1.00 0.00 H new ATOM 0 HB3 ASP A 7 84.312 -4.170 -11.607 1.00 0.00 H new ATOM 109 N GLU A 8 83.387 -1.976 -9.472 1.00 0.00 N ATOM 110 CA GLU A 8 83.033 -2.050 -8.026 1.00 0.00 C ATOM 111 C GLU A 8 83.188 -3.497 -7.544 1.00 0.00 C ATOM 112 O GLU A 8 83.431 -3.753 -6.383 1.00 0.00 O ATOM 113 CB GLU A 8 81.582 -1.591 -7.838 1.00 0.00 C ATOM 114 CG GLU A 8 81.470 -0.097 -8.158 1.00 0.00 C ATOM 115 CD GLU A 8 80.014 0.251 -8.475 1.00 0.00 C ATOM 116 OE1 GLU A 8 79.202 -0.657 -8.509 1.00 0.00 O ATOM 117 OE2 GLU A 8 79.739 1.422 -8.683 1.00 0.00 O ATOM 0 H GLU A 8 82.608 -1.761 -10.094 1.00 0.00 H new ATOM 0 HA GLU A 8 83.693 -1.404 -7.447 1.00 0.00 H new ATOM 0 HB2 GLU A 8 80.922 -2.163 -8.490 1.00 0.00 H new ATOM 0 HB3 GLU A 8 81.260 -1.779 -6.814 1.00 0.00 H new ATOM 0 HG2 GLU A 8 81.820 0.494 -7.312 1.00 0.00 H new ATOM 0 HG3 GLU A 8 82.107 0.153 -9.006 1.00 0.00 H new ATOM 124 N LYS A 9 83.040 -4.442 -8.433 1.00 0.00 N ATOM 125 CA LYS A 9 83.165 -5.883 -8.050 1.00 0.00 C ATOM 126 C LYS A 9 84.548 -6.173 -7.472 1.00 0.00 C ATOM 127 O LYS A 9 84.706 -7.004 -6.600 1.00 0.00 O ATOM 128 CB LYS A 9 82.981 -6.734 -9.300 1.00 0.00 C ATOM 129 CG LYS A 9 84.253 -6.647 -10.144 1.00 0.00 C ATOM 130 CD LYS A 9 83.920 -6.973 -11.598 1.00 0.00 C ATOM 131 CE LYS A 9 85.182 -6.855 -12.453 1.00 0.00 C ATOM 132 NZ LYS A 9 84.819 -7.051 -13.884 1.00 0.00 N ATOM 0 H LYS A 9 82.836 -4.278 -9.419 1.00 0.00 H new ATOM 0 HA LYS A 9 82.410 -6.114 -7.299 1.00 0.00 H new ATOM 0 HB2 LYS A 9 82.780 -7.770 -9.026 1.00 0.00 H new ATOM 0 HB3 LYS A 9 82.123 -6.383 -9.873 1.00 0.00 H new ATOM 0 HG2 LYS A 9 84.682 -5.648 -10.073 1.00 0.00 H new ATOM 0 HG3 LYS A 9 85.002 -7.343 -9.766 1.00 0.00 H new ATOM 0 HD2 LYS A 9 83.512 -7.981 -11.671 1.00 0.00 H new ATOM 0 HD3 LYS A 9 83.153 -6.292 -11.967 1.00 0.00 H new ATOM 0 HE2 LYS A 9 85.642 -5.877 -12.312 1.00 0.00 H new ATOM 0 HE3 LYS A 9 85.916 -7.600 -12.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 85.362 -7.848 -14.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 83.802 -7.255 -13.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 85.040 -6.187 -14.420 1.00 0.00 H new ATOM 146 N THR A 10 85.552 -5.515 -7.970 1.00 0.00 N ATOM 147 CA THR A 10 86.929 -5.765 -7.471 1.00 0.00 C ATOM 148 C THR A 10 87.086 -5.281 -6.019 1.00 0.00 C ATOM 149 O THR A 10 87.901 -5.795 -5.272 1.00 0.00 O ATOM 150 CB THR A 10 87.912 -5.047 -8.400 1.00 0.00 C ATOM 151 OG1 THR A 10 87.576 -3.671 -8.476 1.00 0.00 O ATOM 152 CG2 THR A 10 87.835 -5.664 -9.798 1.00 0.00 C ATOM 0 H THR A 10 85.479 -4.811 -8.705 1.00 0.00 H new ATOM 0 HA THR A 10 87.135 -6.835 -7.472 1.00 0.00 H new ATOM 0 HB THR A 10 88.923 -5.154 -8.008 1.00 0.00 H new ATOM 0 HG1 THR A 10 87.046 -3.420 -7.691 1.00 0.00 H new ATOM 0 HG21 THR A 10 88.534 -5.153 -10.460 1.00 0.00 H new ATOM 0 HG22 THR A 10 88.093 -6.722 -9.744 1.00 0.00 H new ATOM 0 HG23 THR A 10 86.823 -5.557 -10.188 1.00 0.00 H new ATOM 160 N TRP A 11 86.312 -4.316 -5.597 1.00 0.00 N ATOM 161 CA TRP A 11 86.440 -3.835 -4.190 1.00 0.00 C ATOM 162 C TRP A 11 85.088 -3.886 -3.481 1.00 0.00 C ATOM 163 O TRP A 11 85.025 -3.964 -2.271 1.00 0.00 O ATOM 164 CB TRP A 11 86.956 -2.393 -4.177 1.00 0.00 C ATOM 165 CG TRP A 11 86.724 -1.763 -5.512 1.00 0.00 C ATOM 166 CD1 TRP A 11 87.414 -2.055 -6.632 1.00 0.00 C ATOM 167 CD2 TRP A 11 85.765 -0.736 -5.879 1.00 0.00 C ATOM 168 NE1 TRP A 11 86.921 -1.298 -7.678 1.00 0.00 N ATOM 169 CE2 TRP A 11 85.905 -0.457 -7.259 1.00 0.00 C ATOM 170 CE3 TRP A 11 84.793 -0.035 -5.153 1.00 0.00 C ATOM 171 CZ2 TRP A 11 85.101 0.495 -7.894 1.00 0.00 C ATOM 172 CZ3 TRP A 11 83.986 0.921 -5.783 1.00 0.00 C ATOM 173 CH2 TRP A 11 84.139 1.187 -7.152 1.00 0.00 C ATOM 0 H TRP A 11 85.604 -3.844 -6.159 1.00 0.00 H new ATOM 0 HA TRP A 11 87.143 -4.485 -3.669 1.00 0.00 H new ATOM 0 HB2 TRP A 11 86.447 -1.821 -3.401 1.00 0.00 H new ATOM 0 HB3 TRP A 11 88.019 -2.379 -3.937 1.00 0.00 H new ATOM 0 HD1 TRP A 11 88.223 -2.767 -6.701 1.00 0.00 H new ATOM 0 HE1 TRP A 11 87.263 -1.352 -8.637 1.00 0.00 H new ATOM 0 HE3 TRP A 11 84.665 -0.233 -4.099 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 85.222 0.694 -8.949 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 83.242 1.456 -5.212 1.00 0.00 H new ATOM 0 HH2 TRP A 11 83.514 1.926 -7.632 1.00 0.00 H new ATOM 184 N ASN A 12 84.004 -3.822 -4.203 1.00 0.00 N ATOM 185 CA ASN A 12 82.679 -3.845 -3.524 1.00 0.00 C ATOM 186 C ASN A 12 82.175 -5.283 -3.399 1.00 0.00 C ATOM 187 O ASN A 12 82.299 -6.084 -4.304 1.00 0.00 O ATOM 188 CB ASN A 12 81.679 -2.988 -4.305 1.00 0.00 C ATOM 189 CG ASN A 12 81.038 -3.789 -5.440 1.00 0.00 C ATOM 190 OD1 ASN A 12 81.566 -4.787 -5.875 1.00 0.00 O ATOM 191 ND2 ASN A 12 79.902 -3.382 -5.938 1.00 0.00 N ATOM 0 H ASN A 12 83.977 -3.756 -5.220 1.00 0.00 H new ATOM 0 HA ASN A 12 82.784 -3.431 -2.521 1.00 0.00 H new ATOM 0 HB2 ASN A 12 80.904 -2.622 -3.631 1.00 0.00 H new ATOM 0 HB3 ASN A 12 82.185 -2.113 -4.713 1.00 0.00 H new ATOM 0 HD21 ASN A 12 79.460 -3.905 -6.694 1.00 0.00 H new ATOM 0 HD22 ASN A 12 79.457 -2.541 -5.571 1.00 0.00 H new ATOM 198 N VAL A 13 81.618 -5.618 -2.269 1.00 0.00 N ATOM 199 CA VAL A 13 81.114 -7.001 -2.068 1.00 0.00 C ATOM 200 C VAL A 13 79.582 -6.988 -1.991 1.00 0.00 C ATOM 201 O VAL A 13 78.943 -8.021 -2.020 1.00 0.00 O ATOM 202 CB VAL A 13 81.702 -7.557 -0.771 1.00 0.00 C ATOM 203 CG1 VAL A 13 81.221 -6.713 0.410 1.00 0.00 C ATOM 204 CG2 VAL A 13 81.254 -9.007 -0.588 1.00 0.00 C ATOM 0 H VAL A 13 81.491 -4.991 -1.475 1.00 0.00 H new ATOM 0 HA VAL A 13 81.415 -7.632 -2.904 1.00 0.00 H new ATOM 0 HB VAL A 13 82.790 -7.521 -0.819 1.00 0.00 H new ATOM 0 HG11 VAL A 13 81.640 -7.109 1.335 1.00 0.00 H new ATOM 0 HG12 VAL A 13 81.547 -5.681 0.277 1.00 0.00 H new ATOM 0 HG13 VAL A 13 80.133 -6.746 0.461 1.00 0.00 H new ATOM 0 HG21 VAL A 13 81.673 -9.403 0.337 1.00 0.00 H new ATOM 0 HG22 VAL A 13 80.166 -9.048 -0.540 1.00 0.00 H new ATOM 0 HG23 VAL A 13 81.603 -9.605 -1.430 1.00 0.00 H new ATOM 214 N GLY A 14 78.981 -5.830 -1.909 1.00 0.00 N ATOM 215 CA GLY A 14 77.490 -5.777 -1.853 1.00 0.00 C ATOM 216 C GLY A 14 76.995 -5.887 -0.405 1.00 0.00 C ATOM 217 O GLY A 14 76.124 -6.675 -0.097 1.00 0.00 O ATOM 0 H GLY A 14 79.453 -4.926 -1.879 1.00 0.00 H new ATOM 0 HA2 GLY A 14 77.138 -4.844 -2.292 1.00 0.00 H new ATOM 0 HA3 GLY A 14 77.070 -6.588 -2.448 1.00 0.00 H new ATOM 221 N SER A 15 77.527 -5.095 0.485 1.00 0.00 N ATOM 222 CA SER A 15 77.066 -5.144 1.905 1.00 0.00 C ATOM 223 C SER A 15 77.271 -6.544 2.495 1.00 0.00 C ATOM 224 O SER A 15 76.325 -7.232 2.827 1.00 0.00 O ATOM 225 CB SER A 15 75.583 -4.782 1.974 1.00 0.00 C ATOM 226 OG SER A 15 75.209 -4.619 3.336 1.00 0.00 O ATOM 0 H SER A 15 78.262 -4.415 0.292 1.00 0.00 H new ATOM 0 HA SER A 15 77.652 -4.430 2.483 1.00 0.00 H new ATOM 0 HB2 SER A 15 75.394 -3.863 1.419 1.00 0.00 H new ATOM 0 HB3 SER A 15 74.983 -5.564 1.510 1.00 0.00 H new ATOM 0 HG SER A 15 74.259 -4.385 3.389 1.00 0.00 H new ATOM 232 N SER A 16 78.494 -6.966 2.638 1.00 0.00 N ATOM 233 CA SER A 16 78.758 -8.315 3.217 1.00 0.00 C ATOM 234 C SER A 16 78.592 -8.264 4.740 1.00 0.00 C ATOM 235 O SER A 16 78.531 -7.204 5.332 1.00 0.00 O ATOM 236 CB SER A 16 80.186 -8.734 2.876 1.00 0.00 C ATOM 237 OG SER A 16 81.099 -7.881 3.552 1.00 0.00 O ATOM 0 H SER A 16 79.326 -6.435 2.379 1.00 0.00 H new ATOM 0 HA SER A 16 78.052 -9.035 2.802 1.00 0.00 H new ATOM 0 HB2 SER A 16 80.353 -9.770 3.169 1.00 0.00 H new ATOM 0 HB3 SER A 16 80.347 -8.678 1.799 1.00 0.00 H new ATOM 0 HG SER A 16 82.006 -8.041 3.217 1.00 0.00 H new ATOM 243 N ASN A 17 78.523 -9.399 5.384 1.00 0.00 N ATOM 244 CA ASN A 17 78.367 -9.398 6.866 1.00 0.00 C ATOM 245 C ASN A 17 79.691 -8.985 7.512 1.00 0.00 C ATOM 246 O ASN A 17 80.758 -9.338 7.049 1.00 0.00 O ATOM 247 CB ASN A 17 77.972 -10.796 7.352 1.00 0.00 C ATOM 248 CG ASN A 17 76.598 -11.160 6.789 1.00 0.00 C ATOM 249 OD1 ASN A 17 75.853 -10.297 6.371 1.00 0.00 O ATOM 250 ND2 ASN A 17 76.226 -12.412 6.764 1.00 0.00 N ATOM 0 H ASN A 17 78.568 -10.321 4.950 1.00 0.00 H new ATOM 0 HA ASN A 17 77.585 -8.692 7.146 1.00 0.00 H new ATOM 0 HB2 ASN A 17 78.714 -11.527 7.032 1.00 0.00 H new ATOM 0 HB3 ASN A 17 77.949 -10.821 8.441 1.00 0.00 H new ATOM 0 HD21 ASN A 17 75.310 -12.665 6.393 1.00 0.00 H new ATOM 0 HD22 ASN A 17 76.852 -13.137 7.115 1.00 0.00 H new ATOM 257 N ARG A 18 79.627 -8.241 8.581 1.00 0.00 N ATOM 258 CA ARG A 18 80.875 -7.798 9.258 1.00 0.00 C ATOM 259 C ARG A 18 81.673 -9.020 9.716 1.00 0.00 C ATOM 260 O ARG A 18 82.888 -9.025 9.677 1.00 0.00 O ATOM 261 CB ARG A 18 80.512 -6.920 10.455 1.00 0.00 C ATOM 262 CG ARG A 18 79.994 -5.568 9.952 1.00 0.00 C ATOM 263 CD ARG A 18 80.295 -4.493 10.996 1.00 0.00 C ATOM 264 NE ARG A 18 79.533 -4.777 12.243 1.00 0.00 N ATOM 265 CZ ARG A 18 79.902 -4.230 13.364 1.00 0.00 C ATOM 266 NH1 ARG A 18 80.942 -3.444 13.390 1.00 0.00 N ATOM 267 NH2 ARG A 18 79.235 -4.469 14.460 1.00 0.00 N ATOM 0 H ARG A 18 78.761 -7.921 9.015 1.00 0.00 H new ATOM 0 HA ARG A 18 81.488 -7.221 8.565 1.00 0.00 H new ATOM 0 HB2 ARG A 18 79.752 -7.410 11.063 1.00 0.00 H new ATOM 0 HB3 ARG A 18 81.385 -6.774 11.092 1.00 0.00 H new ATOM 0 HG2 ARG A 18 80.468 -5.314 9.004 1.00 0.00 H new ATOM 0 HG3 ARG A 18 78.921 -5.622 9.768 1.00 0.00 H new ATOM 0 HD2 ARG A 18 81.364 -4.468 11.209 1.00 0.00 H new ATOM 0 HD3 ARG A 18 80.025 -3.511 10.609 1.00 0.00 H new ATOM 0 HE ARG A 18 78.724 -5.398 12.218 1.00 0.00 H new ATOM 0 HH11 ARG A 18 81.463 -3.260 12.533 1.00 0.00 H new ATOM 0 HH12 ARG A 18 81.234 -3.013 14.267 1.00 0.00 H new ATOM 0 HH21 ARG A 18 78.423 -5.086 14.439 1.00 0.00 H new ATOM 0 HH22 ARG A 18 79.526 -4.039 15.338 1.00 0.00 H new ATOM 281 N ASN A 19 81.011 -10.063 10.136 1.00 0.00 N ATOM 282 CA ASN A 19 81.755 -11.275 10.574 1.00 0.00 C ATOM 283 C ASN A 19 82.513 -11.857 9.377 1.00 0.00 C ATOM 284 O ASN A 19 83.671 -12.223 9.479 1.00 0.00 O ATOM 285 CB ASN A 19 80.773 -12.310 11.124 1.00 0.00 C ATOM 286 CG ASN A 19 80.269 -11.854 12.494 1.00 0.00 C ATOM 287 OD1 ASN A 19 81.052 -11.618 13.392 1.00 0.00 O ATOM 288 ND2 ASN A 19 78.987 -11.715 12.696 1.00 0.00 N ATOM 0 H ASN A 19 79.995 -10.128 10.194 1.00 0.00 H new ATOM 0 HA ASN A 19 82.464 -11.010 11.358 1.00 0.00 H new ATOM 0 HB2 ASN A 19 79.935 -12.433 10.438 1.00 0.00 H new ATOM 0 HB3 ASN A 19 81.260 -13.281 11.208 1.00 0.00 H new ATOM 0 HD21 ASN A 19 78.644 -11.409 13.607 1.00 0.00 H new ATOM 0 HD22 ASN A 19 78.328 -11.913 11.943 1.00 0.00 H new ATOM 295 N LYS A 20 81.883 -11.932 8.233 1.00 0.00 N ATOM 296 CA LYS A 20 82.595 -12.476 7.043 1.00 0.00 C ATOM 297 C LYS A 20 83.687 -11.491 6.632 1.00 0.00 C ATOM 298 O LYS A 20 84.767 -11.877 6.231 1.00 0.00 O ATOM 299 CB LYS A 20 81.621 -12.685 5.880 1.00 0.00 C ATOM 300 CG LYS A 20 82.360 -13.383 4.733 1.00 0.00 C ATOM 301 CD LYS A 20 81.364 -13.819 3.657 1.00 0.00 C ATOM 302 CE LYS A 20 80.886 -12.594 2.875 1.00 0.00 C ATOM 303 NZ LYS A 20 80.360 -13.026 1.548 1.00 0.00 N ATOM 0 H LYS A 20 80.918 -11.643 8.074 1.00 0.00 H new ATOM 0 HA LYS A 20 83.035 -13.440 7.297 1.00 0.00 H new ATOM 0 HB2 LYS A 20 80.772 -13.287 6.203 1.00 0.00 H new ATOM 0 HB3 LYS A 20 81.223 -11.727 5.545 1.00 0.00 H new ATOM 0 HG2 LYS A 20 83.100 -12.709 4.303 1.00 0.00 H new ATOM 0 HG3 LYS A 20 82.901 -14.250 5.112 1.00 0.00 H new ATOM 0 HD2 LYS A 20 81.833 -14.534 2.981 1.00 0.00 H new ATOM 0 HD3 LYS A 20 80.514 -14.324 4.117 1.00 0.00 H new ATOM 0 HE2 LYS A 20 80.109 -12.073 3.434 1.00 0.00 H new ATOM 0 HE3 LYS A 20 81.708 -11.891 2.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 80.035 -12.194 1.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 81.114 -13.505 1.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 79.564 -13.681 1.687 1.00 0.00 H new ATOM 317 N ALA A 21 83.418 -10.214 6.731 1.00 0.00 N ATOM 318 CA ALA A 21 84.447 -9.207 6.353 1.00 0.00 C ATOM 319 C ALA A 21 85.682 -9.403 7.232 1.00 0.00 C ATOM 320 O ALA A 21 86.801 -9.196 6.806 1.00 0.00 O ATOM 321 CB ALA A 21 83.894 -7.796 6.552 1.00 0.00 C ATOM 0 H ALA A 21 82.532 -9.829 7.057 1.00 0.00 H new ATOM 0 HA ALA A 21 84.715 -9.336 5.304 1.00 0.00 H new ATOM 0 HB1 ALA A 21 84.653 -7.065 6.273 1.00 0.00 H new ATOM 0 HB2 ALA A 21 83.012 -7.659 5.927 1.00 0.00 H new ATOM 0 HB3 ALA A 21 83.622 -7.656 7.598 1.00 0.00 H new ATOM 327 N GLU A 22 85.488 -9.805 8.460 1.00 0.00 N ATOM 328 CA GLU A 22 86.652 -10.021 9.362 1.00 0.00 C ATOM 329 C GLU A 22 87.563 -11.082 8.746 1.00 0.00 C ATOM 330 O GLU A 22 88.755 -10.891 8.621 1.00 0.00 O ATOM 331 CB GLU A 22 86.154 -10.486 10.729 1.00 0.00 C ATOM 332 CG GLU A 22 87.338 -10.620 11.682 1.00 0.00 C ATOM 333 CD GLU A 22 86.829 -10.758 13.116 1.00 0.00 C ATOM 334 OE1 GLU A 22 85.677 -10.430 13.349 1.00 0.00 O ATOM 335 OE2 GLU A 22 87.600 -11.187 13.959 1.00 0.00 O ATOM 0 H GLU A 22 84.575 -9.992 8.875 1.00 0.00 H new ATOM 0 HA GLU A 22 87.209 -9.092 9.486 1.00 0.00 H new ATOM 0 HB2 GLU A 22 85.432 -9.773 11.127 1.00 0.00 H new ATOM 0 HB3 GLU A 22 85.639 -11.442 10.635 1.00 0.00 H new ATOM 0 HG2 GLU A 22 87.938 -11.490 11.413 1.00 0.00 H new ATOM 0 HG3 GLU A 22 87.986 -9.748 11.598 1.00 0.00 H new ATOM 342 N ASN A 23 87.007 -12.189 8.330 1.00 0.00 N ATOM 343 CA ASN A 23 87.839 -13.244 7.693 1.00 0.00 C ATOM 344 C ASN A 23 88.488 -12.638 6.448 1.00 0.00 C ATOM 345 O ASN A 23 89.649 -12.855 6.165 1.00 0.00 O ATOM 346 CB ASN A 23 86.951 -14.422 7.290 1.00 0.00 C ATOM 347 CG ASN A 23 87.820 -15.586 6.808 1.00 0.00 C ATOM 348 OD1 ASN A 23 88.923 -15.776 7.281 1.00 0.00 O ATOM 349 ND2 ASN A 23 87.366 -16.380 5.875 1.00 0.00 N ATOM 0 H ASN A 23 86.013 -12.406 8.405 1.00 0.00 H new ATOM 0 HA ASN A 23 88.602 -13.601 8.385 1.00 0.00 H new ATOM 0 HB2 ASN A 23 86.343 -14.737 8.138 1.00 0.00 H new ATOM 0 HB3 ASN A 23 86.264 -14.118 6.500 1.00 0.00 H new ATOM 0 HD21 ASN A 23 87.937 -17.158 5.545 1.00 0.00 H new ATOM 0 HD22 ASN A 23 86.440 -16.222 5.477 1.00 0.00 H new ATOM 356 N LEU A 24 87.735 -11.859 5.717 1.00 0.00 N ATOM 357 CA LEU A 24 88.279 -11.202 4.493 1.00 0.00 C ATOM 358 C LEU A 24 89.342 -10.183 4.905 1.00 0.00 C ATOM 359 O LEU A 24 90.339 -10.003 4.236 1.00 0.00 O ATOM 360 CB LEU A 24 87.146 -10.483 3.759 1.00 0.00 C ATOM 361 CG LEU A 24 86.154 -11.512 3.213 1.00 0.00 C ATOM 362 CD1 LEU A 24 84.906 -10.801 2.683 1.00 0.00 C ATOM 363 CD2 LEU A 24 86.814 -12.293 2.077 1.00 0.00 C ATOM 0 H LEU A 24 86.757 -11.648 5.918 1.00 0.00 H new ATOM 0 HA LEU A 24 88.721 -11.951 3.836 1.00 0.00 H new ATOM 0 HB2 LEU A 24 86.638 -9.797 4.437 1.00 0.00 H new ATOM 0 HB3 LEU A 24 87.550 -9.884 2.943 1.00 0.00 H new ATOM 0 HG LEU A 24 85.865 -12.195 4.012 1.00 0.00 H new ATOM 0 HD11 LEU A 24 84.204 -11.539 2.296 1.00 0.00 H new ATOM 0 HD12 LEU A 24 84.435 -10.241 3.491 1.00 0.00 H new ATOM 0 HD13 LEU A 24 85.189 -10.116 1.884 1.00 0.00 H new ATOM 0 HD21 LEU A 24 86.111 -13.028 1.684 1.00 0.00 H new ATOM 0 HD22 LEU A 24 87.102 -11.605 1.282 1.00 0.00 H new ATOM 0 HD23 LEU A 24 87.700 -12.804 2.454 1.00 0.00 H new ATOM 375 N LEU A 25 89.140 -9.513 6.009 1.00 0.00 N ATOM 376 CA LEU A 25 90.143 -8.510 6.463 1.00 0.00 C ATOM 377 C LEU A 25 91.202 -9.224 7.298 1.00 0.00 C ATOM 378 O LEU A 25 92.232 -8.670 7.628 1.00 0.00 O ATOM 379 CB LEU A 25 89.444 -7.449 7.318 1.00 0.00 C ATOM 380 CG LEU A 25 88.519 -6.614 6.430 1.00 0.00 C ATOM 381 CD1 LEU A 25 87.437 -5.958 7.291 1.00 0.00 C ATOM 382 CD2 LEU A 25 89.337 -5.525 5.728 1.00 0.00 C ATOM 0 H LEU A 25 88.325 -9.618 6.614 1.00 0.00 H new ATOM 0 HA LEU A 25 90.611 -8.029 5.604 1.00 0.00 H new ATOM 0 HB2 LEU A 25 88.871 -7.926 8.113 1.00 0.00 H new ATOM 0 HB3 LEU A 25 90.183 -6.807 7.798 1.00 0.00 H new ATOM 0 HG LEU A 25 88.051 -7.259 5.686 1.00 0.00 H new ATOM 0 HD11 LEU A 25 86.779 -5.363 6.658 1.00 0.00 H new ATOM 0 HD12 LEU A 25 86.856 -6.730 7.795 1.00 0.00 H new ATOM 0 HD13 LEU A 25 87.905 -5.313 8.034 1.00 0.00 H new ATOM 0 HD21 LEU A 25 88.681 -4.928 5.095 1.00 0.00 H new ATOM 0 HD22 LEU A 25 89.803 -4.882 6.475 1.00 0.00 H new ATOM 0 HD23 LEU A 25 90.110 -5.989 5.115 1.00 0.00 H new ATOM 394 N ARG A 26 90.952 -10.459 7.629 1.00 0.00 N ATOM 395 CA ARG A 26 91.929 -11.238 8.433 1.00 0.00 C ATOM 396 C ARG A 26 92.739 -12.164 7.528 1.00 0.00 C ATOM 397 O ARG A 26 92.205 -12.836 6.670 1.00 0.00 O ATOM 398 CB ARG A 26 91.186 -12.072 9.478 1.00 0.00 C ATOM 399 CG ARG A 26 90.812 -11.199 10.677 1.00 0.00 C ATOM 400 CD ARG A 26 92.047 -10.979 11.554 1.00 0.00 C ATOM 401 NE ARG A 26 92.744 -12.290 11.767 1.00 0.00 N ATOM 402 CZ ARG A 26 92.108 -13.324 12.250 1.00 0.00 C ATOM 403 NH1 ARG A 26 90.892 -13.196 12.711 1.00 0.00 N ATOM 404 NH2 ARG A 26 92.710 -14.481 12.316 1.00 0.00 N ATOM 0 H ARG A 26 90.104 -10.965 7.374 1.00 0.00 H new ATOM 0 HA ARG A 26 92.607 -10.545 8.931 1.00 0.00 H new ATOM 0 HB2 ARG A 26 90.287 -12.504 9.038 1.00 0.00 H new ATOM 0 HB3 ARG A 26 91.812 -12.903 9.804 1.00 0.00 H new ATOM 0 HG2 ARG A 26 90.421 -10.241 10.335 1.00 0.00 H new ATOM 0 HG3 ARG A 26 90.022 -11.677 11.256 1.00 0.00 H new ATOM 0 HD2 ARG A 26 92.723 -10.268 11.079 1.00 0.00 H new ATOM 0 HD3 ARG A 26 91.755 -10.550 12.512 1.00 0.00 H new ATOM 0 HE ARG A 26 93.732 -12.376 11.530 1.00 0.00 H new ATOM 0 HH11 ARG A 26 90.434 -12.285 12.695 1.00 0.00 H new ATOM 0 HH12 ARG A 26 90.401 -14.007 13.087 1.00 0.00 H new ATOM 0 HH21 ARG A 26 93.672 -14.574 11.991 1.00 0.00 H new ATOM 0 HH22 ARG A 26 92.218 -15.291 12.692 1.00 0.00 H new ATOM 418 N GLY A 27 94.024 -12.214 7.726 1.00 0.00 N ATOM 419 CA GLY A 27 94.872 -13.111 6.892 1.00 0.00 C ATOM 420 C GLY A 27 95.201 -12.435 5.559 1.00 0.00 C ATOM 421 O GLY A 27 95.842 -13.015 4.706 1.00 0.00 O ATOM 0 H GLY A 27 94.526 -11.673 8.430 1.00 0.00 H new ATOM 0 HA2 GLY A 27 95.793 -13.351 7.424 1.00 0.00 H new ATOM 0 HA3 GLY A 27 94.352 -14.052 6.713 1.00 0.00 H new ATOM 425 N LYS A 28 94.773 -11.217 5.370 1.00 0.00 N ATOM 426 CA LYS A 28 95.067 -10.517 4.092 1.00 0.00 C ATOM 427 C LYS A 28 96.162 -9.477 4.321 1.00 0.00 C ATOM 428 O LYS A 28 96.216 -8.824 5.343 1.00 0.00 O ATOM 429 CB LYS A 28 93.801 -9.840 3.571 1.00 0.00 C ATOM 430 CG LYS A 28 92.789 -10.912 3.163 1.00 0.00 C ATOM 431 CD LYS A 28 91.888 -10.367 2.055 1.00 0.00 C ATOM 432 CE LYS A 28 92.432 -10.818 0.698 1.00 0.00 C ATOM 433 NZ LYS A 28 91.476 -10.435 -0.378 1.00 0.00 N ATOM 0 H LYS A 28 94.233 -10.678 6.047 1.00 0.00 H new ATOM 0 HA LYS A 28 95.410 -11.240 3.352 1.00 0.00 H new ATOM 0 HB2 LYS A 28 93.376 -9.196 4.340 1.00 0.00 H new ATOM 0 HB3 LYS A 28 94.039 -9.204 2.718 1.00 0.00 H new ATOM 0 HG2 LYS A 28 93.309 -11.805 2.817 1.00 0.00 H new ATOM 0 HG3 LYS A 28 92.188 -11.206 4.023 1.00 0.00 H new ATOM 0 HD2 LYS A 28 90.868 -10.727 2.189 1.00 0.00 H new ATOM 0 HD3 LYS A 28 91.851 -9.279 2.102 1.00 0.00 H new ATOM 0 HE2 LYS A 28 93.404 -10.360 0.514 1.00 0.00 H new ATOM 0 HE3 LYS A 28 92.583 -11.897 0.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 91.970 -10.425 -1.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 90.698 -11.124 -0.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 91.092 -9.489 -0.181 1.00 0.00 H new ATOM 447 N ARG A 29 97.041 -9.333 3.374 1.00 0.00 N ATOM 448 CA ARG A 29 98.154 -8.351 3.514 1.00 0.00 C ATOM 449 C ARG A 29 97.596 -6.925 3.532 1.00 0.00 C ATOM 450 O ARG A 29 96.543 -6.652 2.992 1.00 0.00 O ATOM 451 CB ARG A 29 99.114 -8.508 2.333 1.00 0.00 C ATOM 452 CG ARG A 29 99.741 -9.903 2.364 1.00 0.00 C ATOM 453 CD ARG A 29 100.365 -10.209 1.002 1.00 0.00 C ATOM 454 NE ARG A 29 100.901 -11.600 1.000 1.00 0.00 N ATOM 455 CZ ARG A 29 101.222 -12.174 -0.128 1.00 0.00 C ATOM 456 NH1 ARG A 29 101.062 -11.535 -1.255 1.00 0.00 N ATOM 457 NH2 ARG A 29 101.703 -13.386 -0.127 1.00 0.00 N ATOM 0 H ARG A 29 97.038 -9.857 2.499 1.00 0.00 H new ATOM 0 HA ARG A 29 98.683 -8.537 4.449 1.00 0.00 H new ATOM 0 HB2 ARG A 29 98.580 -8.359 1.395 1.00 0.00 H new ATOM 0 HB3 ARG A 29 99.893 -7.747 2.381 1.00 0.00 H new ATOM 0 HG2 ARG A 29 100.500 -9.955 3.144 1.00 0.00 H new ATOM 0 HG3 ARG A 29 98.984 -10.649 2.605 1.00 0.00 H new ATOM 0 HD2 ARG A 29 99.620 -10.094 0.215 1.00 0.00 H new ATOM 0 HD3 ARG A 29 101.165 -9.500 0.789 1.00 0.00 H new ATOM 0 HE ARG A 29 101.017 -12.103 1.880 1.00 0.00 H new ATOM 0 HH11 ARG A 29 100.686 -10.587 -1.255 1.00 0.00 H new ATOM 0 HH12 ARG A 29 101.313 -11.984 -2.136 1.00 0.00 H new ATOM 0 HH21 ARG A 29 101.828 -13.884 0.754 1.00 0.00 H new ATOM 0 HH22 ARG A 29 101.954 -13.836 -1.007 1.00 0.00 H new ATOM 471 N ASP A 30 98.302 -6.016 4.155 1.00 0.00 N ATOM 472 CA ASP A 30 97.831 -4.599 4.222 1.00 0.00 C ATOM 473 C ASP A 30 97.663 -4.049 2.803 1.00 0.00 C ATOM 474 O ASP A 30 98.414 -4.375 1.906 1.00 0.00 O ATOM 475 CB ASP A 30 98.864 -3.751 4.963 1.00 0.00 C ATOM 476 CG ASP A 30 98.975 -4.234 6.407 1.00 0.00 C ATOM 477 OD1 ASP A 30 98.049 -4.882 6.868 1.00 0.00 O ATOM 478 OD2 ASP A 30 99.985 -3.951 7.028 1.00 0.00 O ATOM 0 H ASP A 30 99.190 -6.196 4.623 1.00 0.00 H new ATOM 0 HA ASP A 30 96.877 -4.562 4.749 1.00 0.00 H new ATOM 0 HB2 ASP A 30 99.833 -3.823 4.468 1.00 0.00 H new ATOM 0 HB3 ASP A 30 98.572 -2.701 4.941 1.00 0.00 H new ATOM 483 N GLY A 31 96.683 -3.215 2.596 1.00 0.00 N ATOM 484 CA GLY A 31 96.464 -2.644 1.238 1.00 0.00 C ATOM 485 C GLY A 31 95.234 -3.299 0.607 1.00 0.00 C ATOM 486 O GLY A 31 94.628 -2.759 -0.297 1.00 0.00 O ATOM 0 H GLY A 31 96.023 -2.904 3.309 1.00 0.00 H new ATOM 0 HA2 GLY A 31 96.323 -1.565 1.303 1.00 0.00 H new ATOM 0 HA3 GLY A 31 97.341 -2.814 0.614 1.00 0.00 H new ATOM 490 N THR A 32 94.852 -4.453 1.084 1.00 0.00 N ATOM 491 CA THR A 32 93.651 -5.125 0.517 1.00 0.00 C ATOM 492 C THR A 32 92.409 -4.608 1.234 1.00 0.00 C ATOM 493 O THR A 32 92.275 -4.747 2.433 1.00 0.00 O ATOM 494 CB THR A 32 93.753 -6.635 0.718 1.00 0.00 C ATOM 495 OG1 THR A 32 94.959 -7.111 0.134 1.00 0.00 O ATOM 496 CG2 THR A 32 92.550 -7.312 0.054 1.00 0.00 C ATOM 0 H THR A 32 95.318 -4.957 1.839 1.00 0.00 H new ATOM 0 HA THR A 32 93.587 -4.910 -0.550 1.00 0.00 H new ATOM 0 HB THR A 32 93.757 -6.867 1.783 1.00 0.00 H new ATOM 0 HG1 THR A 32 94.753 -7.600 -0.690 1.00 0.00 H new ATOM 0 HG21 THR A 32 92.617 -8.391 0.194 1.00 0.00 H new ATOM 0 HG22 THR A 32 91.629 -6.944 0.507 1.00 0.00 H new ATOM 0 HG23 THR A 32 92.547 -7.084 -1.012 1.00 0.00 H new ATOM 504 N PHE A 33 91.495 -4.015 0.520 1.00 0.00 N ATOM 505 CA PHE A 33 90.274 -3.502 1.195 1.00 0.00 C ATOM 506 C PHE A 33 89.035 -3.841 0.368 1.00 0.00 C ATOM 507 O PHE A 33 89.121 -4.235 -0.778 1.00 0.00 O ATOM 508 CB PHE A 33 90.366 -1.981 1.364 1.00 0.00 C ATOM 509 CG PHE A 33 89.591 -1.288 0.274 1.00 0.00 C ATOM 510 CD1 PHE A 33 90.063 -1.286 -1.042 1.00 0.00 C ATOM 511 CD2 PHE A 33 88.393 -0.643 0.586 1.00 0.00 C ATOM 512 CE1 PHE A 33 89.327 -0.639 -2.039 1.00 0.00 C ATOM 513 CE2 PHE A 33 87.667 0.001 -0.414 1.00 0.00 C ATOM 514 CZ PHE A 33 88.132 0.001 -1.720 1.00 0.00 C ATOM 0 H PHE A 33 91.539 -3.865 -0.488 1.00 0.00 H new ATOM 0 HA PHE A 33 90.196 -3.973 2.175 1.00 0.00 H new ATOM 0 HB2 PHE A 33 89.974 -1.692 2.339 1.00 0.00 H new ATOM 0 HB3 PHE A 33 91.409 -1.667 1.334 1.00 0.00 H new ATOM 0 HD1 PHE A 33 90.991 -1.781 -1.287 1.00 0.00 H new ATOM 0 HD2 PHE A 33 88.029 -0.643 1.603 1.00 0.00 H new ATOM 0 HE1 PHE A 33 89.686 -0.635 -3.058 1.00 0.00 H new ATOM 0 HE2 PHE A 33 86.741 0.501 -0.171 1.00 0.00 H new ATOM 0 HZ PHE A 33 87.565 0.499 -2.493 1.00 0.00 H new ATOM 524 N LEU A 34 87.886 -3.669 0.952 1.00 0.00 N ATOM 525 CA LEU A 34 86.616 -3.951 0.220 1.00 0.00 C ATOM 526 C LEU A 34 85.582 -2.872 0.578 1.00 0.00 C ATOM 527 O LEU A 34 85.673 -2.238 1.610 1.00 0.00 O ATOM 528 CB LEU A 34 86.081 -5.338 0.614 1.00 0.00 C ATOM 529 CG LEU A 34 86.800 -5.843 1.867 1.00 0.00 C ATOM 530 CD1 LEU A 34 86.372 -5.004 3.065 1.00 0.00 C ATOM 531 CD2 LEU A 34 86.429 -7.308 2.119 1.00 0.00 C ATOM 0 H LEU A 34 87.767 -3.343 1.911 1.00 0.00 H new ATOM 0 HA LEU A 34 86.802 -3.939 -0.854 1.00 0.00 H new ATOM 0 HB2 LEU A 34 85.008 -5.284 0.798 1.00 0.00 H new ATOM 0 HB3 LEU A 34 86.228 -6.040 -0.207 1.00 0.00 H new ATOM 0 HG LEU A 34 87.877 -5.761 1.724 1.00 0.00 H new ATOM 0 HD11 LEU A 34 86.882 -5.361 3.960 1.00 0.00 H new ATOM 0 HD12 LEU A 34 86.633 -3.960 2.890 1.00 0.00 H new ATOM 0 HD13 LEU A 34 85.294 -5.090 3.203 1.00 0.00 H new ATOM 0 HD21 LEU A 34 86.942 -7.665 3.012 1.00 0.00 H new ATOM 0 HD22 LEU A 34 85.352 -7.391 2.262 1.00 0.00 H new ATOM 0 HD23 LEU A 34 86.729 -7.912 1.262 1.00 0.00 H new ATOM 543 N VAL A 35 84.598 -2.658 -0.261 1.00 0.00 N ATOM 544 CA VAL A 35 83.564 -1.621 0.045 1.00 0.00 C ATOM 545 C VAL A 35 82.264 -2.328 0.435 1.00 0.00 C ATOM 546 O VAL A 35 81.834 -3.259 -0.216 1.00 0.00 O ATOM 547 CB VAL A 35 83.321 -0.734 -1.188 1.00 0.00 C ATOM 548 CG1 VAL A 35 82.072 0.125 -0.976 1.00 0.00 C ATOM 549 CG2 VAL A 35 84.517 0.191 -1.396 1.00 0.00 C ATOM 0 H VAL A 35 84.466 -3.155 -1.142 1.00 0.00 H new ATOM 0 HA VAL A 35 83.909 -0.990 0.864 1.00 0.00 H new ATOM 0 HB VAL A 35 83.185 -1.374 -2.059 1.00 0.00 H new ATOM 0 HG11 VAL A 35 81.907 0.750 -1.854 1.00 0.00 H new ATOM 0 HG12 VAL A 35 81.208 -0.521 -0.823 1.00 0.00 H new ATOM 0 HG13 VAL A 35 82.211 0.759 -0.100 1.00 0.00 H new ATOM 0 HG21 VAL A 35 84.344 0.819 -2.270 1.00 0.00 H new ATOM 0 HG22 VAL A 35 84.647 0.821 -0.516 1.00 0.00 H new ATOM 0 HG23 VAL A 35 85.416 -0.406 -1.551 1.00 0.00 H new ATOM 559 N ARG A 36 81.637 -1.901 1.496 1.00 0.00 N ATOM 560 CA ARG A 36 80.375 -2.562 1.923 1.00 0.00 C ATOM 561 C ARG A 36 79.510 -1.560 2.674 1.00 0.00 C ATOM 562 O ARG A 36 79.859 -0.404 2.816 1.00 0.00 O ATOM 563 CB ARG A 36 80.695 -3.738 2.847 1.00 0.00 C ATOM 564 CG ARG A 36 81.473 -3.232 4.064 1.00 0.00 C ATOM 565 CD ARG A 36 81.494 -4.313 5.143 1.00 0.00 C ATOM 566 NE ARG A 36 80.142 -4.426 5.761 1.00 0.00 N ATOM 567 CZ ARG A 36 79.844 -5.468 6.485 1.00 0.00 C ATOM 568 NH1 ARG A 36 80.717 -6.425 6.629 1.00 0.00 N ATOM 569 NH2 ARG A 36 78.674 -5.559 7.057 1.00 0.00 N ATOM 0 H ARG A 36 81.944 -1.125 2.083 1.00 0.00 H new ATOM 0 HA ARG A 36 79.844 -2.925 1.043 1.00 0.00 H new ATOM 0 HB2 ARG A 36 79.774 -4.224 3.167 1.00 0.00 H new ATOM 0 HB3 ARG A 36 81.281 -4.486 2.312 1.00 0.00 H new ATOM 0 HG2 ARG A 36 82.491 -2.972 3.775 1.00 0.00 H new ATOM 0 HG3 ARG A 36 81.011 -2.325 4.453 1.00 0.00 H new ATOM 0 HD2 ARG A 36 81.788 -5.269 4.709 1.00 0.00 H new ATOM 0 HD3 ARG A 36 82.234 -4.067 5.905 1.00 0.00 H new ATOM 0 HE ARG A 36 79.451 -3.689 5.617 1.00 0.00 H new ATOM 0 HH11 ARG A 36 81.628 -6.356 6.176 1.00 0.00 H new ATOM 0 HH12 ARG A 36 80.489 -7.243 7.195 1.00 0.00 H new ATOM 0 HH21 ARG A 36 77.989 -4.813 6.938 1.00 0.00 H new ATOM 0 HH22 ARG A 36 78.445 -6.376 7.623 1.00 0.00 H new ATOM 583 N GLU A 37 78.385 -1.990 3.163 1.00 0.00 N ATOM 584 CA GLU A 37 77.509 -1.069 3.905 1.00 0.00 C ATOM 585 C GLU A 37 77.592 -1.409 5.382 1.00 0.00 C ATOM 586 O GLU A 37 78.050 -2.472 5.756 1.00 0.00 O ATOM 587 CB GLU A 37 76.075 -1.257 3.413 1.00 0.00 C ATOM 588 CG GLU A 37 75.128 -0.354 4.199 1.00 0.00 C ATOM 589 CD GLU A 37 73.721 -0.479 3.615 1.00 0.00 C ATOM 590 OE1 GLU A 37 73.510 0.020 2.521 1.00 0.00 O ATOM 591 OE2 GLU A 37 72.880 -1.071 4.269 1.00 0.00 O ATOM 0 H GLU A 37 78.039 -2.946 3.077 1.00 0.00 H new ATOM 0 HA GLU A 37 77.816 -0.035 3.749 1.00 0.00 H new ATOM 0 HB2 GLU A 37 76.014 -1.024 2.350 1.00 0.00 H new ATOM 0 HB3 GLU A 37 75.776 -2.299 3.529 1.00 0.00 H new ATOM 0 HG2 GLU A 37 75.125 -0.637 5.252 1.00 0.00 H new ATOM 0 HG3 GLU A 37 75.466 0.681 4.148 1.00 0.00 H new ATOM 677 N TYR A 44 77.293 3.725 4.115 1.00 0.00 N ATOM 678 CA TYR A 44 78.358 3.000 3.365 1.00 0.00 C ATOM 679 C TYR A 44 79.644 2.974 4.193 1.00 0.00 C ATOM 680 O TYR A 44 79.786 3.703 5.156 1.00 0.00 O ATOM 681 CB TYR A 44 78.602 3.702 2.025 1.00 0.00 C ATOM 682 CG TYR A 44 77.423 3.451 1.111 1.00 0.00 C ATOM 683 CD1 TYR A 44 76.315 4.306 1.139 1.00 0.00 C ATOM 684 CD2 TYR A 44 77.439 2.358 0.236 1.00 0.00 C ATOM 685 CE1 TYR A 44 75.223 4.067 0.295 1.00 0.00 C ATOM 686 CE2 TYR A 44 76.347 2.119 -0.609 1.00 0.00 C ATOM 687 CZ TYR A 44 75.238 2.974 -0.579 1.00 0.00 C ATOM 688 OH TYR A 44 74.160 2.739 -1.411 1.00 0.00 O ATOM 0 HA TYR A 44 78.042 1.974 3.177 1.00 0.00 H new ATOM 0 HB2 TYR A 44 78.736 4.773 2.181 1.00 0.00 H new ATOM 0 HB3 TYR A 44 79.518 3.330 1.567 1.00 0.00 H new ATOM 0 HD1 TYR A 44 76.302 5.151 1.812 1.00 0.00 H new ATOM 0 HD2 TYR A 44 78.294 1.698 0.212 1.00 0.00 H new ATOM 0 HE1 TYR A 44 74.368 4.727 0.319 1.00 0.00 H new ATOM 0 HE2 TYR A 44 76.360 1.276 -1.283 1.00 0.00 H new ATOM 0 HH TYR A 44 74.333 1.942 -1.954 1.00 0.00 H new ATOM 698 N ALA A 45 80.586 2.135 3.837 1.00 0.00 N ATOM 699 CA ALA A 45 81.850 2.074 4.622 1.00 0.00 C ATOM 700 C ALA A 45 82.903 1.252 3.872 1.00 0.00 C ATOM 701 O ALA A 45 82.613 0.217 3.304 1.00 0.00 O ATOM 702 CB ALA A 45 81.567 1.421 5.978 1.00 0.00 C ATOM 0 H ALA A 45 80.532 1.496 3.043 1.00 0.00 H new ATOM 0 HA ALA A 45 82.230 3.085 4.766 1.00 0.00 H new ATOM 0 HB1 ALA A 45 82.489 1.373 6.558 1.00 0.00 H new ATOM 0 HB2 ALA A 45 80.828 2.012 6.519 1.00 0.00 H new ATOM 0 HB3 ALA A 45 81.183 0.413 5.823 1.00 0.00 H new ATOM 708 N CYS A 46 84.132 1.695 3.888 1.00 0.00 N ATOM 709 CA CYS A 46 85.214 0.934 3.206 1.00 0.00 C ATOM 710 C CYS A 46 86.094 0.319 4.289 1.00 0.00 C ATOM 711 O CYS A 46 86.562 0.997 5.179 1.00 0.00 O ATOM 712 CB CYS A 46 86.060 1.867 2.327 1.00 0.00 C ATOM 713 SG CYS A 46 84.990 2.706 1.130 1.00 0.00 S ATOM 0 H CYS A 46 84.432 2.555 4.347 1.00 0.00 H new ATOM 0 HA CYS A 46 84.783 0.165 2.565 1.00 0.00 H new ATOM 0 HB2 CYS A 46 86.575 2.601 2.947 1.00 0.00 H new ATOM 0 HB3 CYS A 46 86.828 1.295 1.806 1.00 0.00 H new ATOM 0 HG CYS A 46 85.538 2.661 -0.048 1.00 0.00 H new ATOM 719 N SER A 47 86.310 -0.958 4.242 1.00 0.00 N ATOM 720 CA SER A 47 87.146 -1.594 5.296 1.00 0.00 C ATOM 721 C SER A 47 88.479 -2.056 4.704 1.00 0.00 C ATOM 722 O SER A 47 88.523 -2.726 3.693 1.00 0.00 O ATOM 723 CB SER A 47 86.386 -2.785 5.881 1.00 0.00 C ATOM 724 OG SER A 47 85.712 -3.468 4.835 1.00 0.00 O ATOM 0 H SER A 47 85.949 -1.589 3.527 1.00 0.00 H new ATOM 0 HA SER A 47 87.354 -0.871 6.085 1.00 0.00 H new ATOM 0 HB2 SER A 47 87.077 -3.460 6.386 1.00 0.00 H new ATOM 0 HB3 SER A 47 85.670 -2.443 6.629 1.00 0.00 H new ATOM 0 HG SER A 47 85.101 -4.131 5.218 1.00 0.00 H new ATOM 730 N VAL A 48 89.570 -1.705 5.326 1.00 0.00 N ATOM 731 CA VAL A 48 90.896 -2.130 4.792 1.00 0.00 C ATOM 732 C VAL A 48 91.700 -2.811 5.890 1.00 0.00 C ATOM 733 O VAL A 48 91.444 -2.643 7.067 1.00 0.00 O ATOM 734 CB VAL A 48 91.691 -0.913 4.312 1.00 0.00 C ATOM 735 CG1 VAL A 48 91.883 0.067 5.470 1.00 0.00 C ATOM 736 CG2 VAL A 48 93.064 -1.368 3.809 1.00 0.00 C ATOM 0 H VAL A 48 89.602 -1.145 6.178 1.00 0.00 H new ATOM 0 HA VAL A 48 90.724 -2.815 3.962 1.00 0.00 H new ATOM 0 HB VAL A 48 91.145 -0.423 3.506 1.00 0.00 H new ATOM 0 HG11 VAL A 48 92.449 0.932 5.125 1.00 0.00 H new ATOM 0 HG12 VAL A 48 90.909 0.393 5.836 1.00 0.00 H new ATOM 0 HG13 VAL A 48 92.427 -0.425 6.276 1.00 0.00 H new ATOM 0 HG21 VAL A 48 93.631 -0.502 3.467 1.00 0.00 H new ATOM 0 HG22 VAL A 48 93.604 -1.859 4.619 1.00 0.00 H new ATOM 0 HG23 VAL A 48 92.935 -2.067 2.983 1.00 0.00 H new ATOM 746 N VAL A 49 92.692 -3.551 5.508 1.00 0.00 N ATOM 747 CA VAL A 49 93.555 -4.221 6.519 1.00 0.00 C ATOM 748 C VAL A 49 94.841 -3.411 6.638 1.00 0.00 C ATOM 749 O VAL A 49 95.470 -3.102 5.646 1.00 0.00 O ATOM 750 CB VAL A 49 93.906 -5.639 6.072 1.00 0.00 C ATOM 751 CG1 VAL A 49 94.714 -6.329 7.173 1.00 0.00 C ATOM 752 CG2 VAL A 49 92.630 -6.436 5.799 1.00 0.00 C ATOM 0 H VAL A 49 92.948 -3.725 4.536 1.00 0.00 H new ATOM 0 HA VAL A 49 93.029 -4.278 7.472 1.00 0.00 H new ATOM 0 HB VAL A 49 94.495 -5.591 5.156 1.00 0.00 H new ATOM 0 HG11 VAL A 49 94.967 -7.342 6.859 1.00 0.00 H new ATOM 0 HG12 VAL A 49 95.630 -5.767 7.359 1.00 0.00 H new ATOM 0 HG13 VAL A 49 94.122 -6.370 8.087 1.00 0.00 H new ATOM 0 HG21 VAL A 49 92.892 -7.445 5.481 1.00 0.00 H new ATOM 0 HG22 VAL A 49 92.031 -6.486 6.708 1.00 0.00 H new ATOM 0 HG23 VAL A 49 92.056 -5.946 5.013 1.00 0.00 H new ATOM 762 N VAL A 50 95.244 -3.051 7.825 1.00 0.00 N ATOM 763 CA VAL A 50 96.488 -2.250 7.947 1.00 0.00 C ATOM 764 C VAL A 50 97.494 -2.964 8.849 1.00 0.00 C ATOM 765 O VAL A 50 97.141 -3.755 9.703 1.00 0.00 O ATOM 766 CB VAL A 50 96.154 -0.869 8.518 1.00 0.00 C ATOM 767 CG1 VAL A 50 97.444 -0.150 8.918 1.00 0.00 C ATOM 768 CG2 VAL A 50 95.425 -0.041 7.456 1.00 0.00 C ATOM 0 H VAL A 50 94.773 -3.274 8.702 1.00 0.00 H new ATOM 0 HA VAL A 50 96.934 -2.132 6.959 1.00 0.00 H new ATOM 0 HB VAL A 50 95.517 -0.987 9.394 1.00 0.00 H new ATOM 0 HG11 VAL A 50 97.202 0.832 9.324 1.00 0.00 H new ATOM 0 HG12 VAL A 50 97.968 -0.736 9.673 1.00 0.00 H new ATOM 0 HG13 VAL A 50 98.082 -0.034 8.042 1.00 0.00 H new ATOM 0 HG21 VAL A 50 95.187 0.942 7.862 1.00 0.00 H new ATOM 0 HG22 VAL A 50 96.065 0.073 6.581 1.00 0.00 H new ATOM 0 HG23 VAL A 50 94.504 -0.548 7.169 1.00 0.00 H new ATOM 778 N ASP A 51 98.751 -2.676 8.648 1.00 0.00 N ATOM 779 CA ASP A 51 99.831 -3.315 9.453 1.00 0.00 C ATOM 780 C ASP A 51 99.500 -3.228 10.924 1.00 0.00 C ATOM 781 O ASP A 51 100.051 -3.936 11.742 1.00 0.00 O ATOM 782 CB ASP A 51 101.148 -2.586 9.190 1.00 0.00 C ATOM 783 CG ASP A 51 102.298 -3.365 9.831 1.00 0.00 C ATOM 784 OD1 ASP A 51 102.019 -4.245 10.628 1.00 0.00 O ATOM 785 OD2 ASP A 51 103.438 -3.064 9.517 1.00 0.00 O ATOM 0 H ASP A 51 99.081 -2.013 7.947 1.00 0.00 H new ATOM 0 HA ASP A 51 99.920 -4.363 9.168 1.00 0.00 H new ATOM 0 HB2 ASP A 51 101.314 -2.488 8.117 1.00 0.00 H new ATOM 0 HB3 ASP A 51 101.105 -1.577 9.599 1.00 0.00 H new ATOM 790 N GLY A 52 98.611 -2.369 11.266 1.00 0.00 N ATOM 791 CA GLY A 52 98.237 -2.227 12.688 1.00 0.00 C ATOM 792 C GLY A 52 97.013 -3.085 12.985 1.00 0.00 C ATOM 793 O GLY A 52 97.033 -3.929 13.859 1.00 0.00 O ATOM 0 H GLY A 52 98.119 -1.750 10.622 1.00 0.00 H new ATOM 0 HA2 GLY A 52 99.068 -2.530 13.325 1.00 0.00 H new ATOM 0 HA3 GLY A 52 98.025 -1.182 12.916 1.00 0.00 H new ATOM 797 N GLU A 53 95.940 -2.875 12.280 1.00 0.00 N ATOM 798 CA GLU A 53 94.725 -3.686 12.558 1.00 0.00 C ATOM 799 C GLU A 53 93.719 -3.554 11.421 1.00 0.00 C ATOM 800 O GLU A 53 93.838 -2.706 10.561 1.00 0.00 O ATOM 801 CB GLU A 53 94.079 -3.196 13.854 1.00 0.00 C ATOM 802 CG GLU A 53 93.706 -1.721 13.705 1.00 0.00 C ATOM 803 CD GLU A 53 93.139 -1.198 15.026 1.00 0.00 C ATOM 804 OE1 GLU A 53 92.484 -1.965 15.712 1.00 0.00 O ATOM 805 OE2 GLU A 53 93.371 -0.040 15.328 1.00 0.00 O ATOM 0 H GLU A 53 95.851 -2.187 11.533 1.00 0.00 H new ATOM 0 HA GLU A 53 95.017 -4.732 12.652 1.00 0.00 H new ATOM 0 HB2 GLU A 53 93.191 -3.787 14.077 1.00 0.00 H new ATOM 0 HB3 GLU A 53 94.767 -3.327 14.689 1.00 0.00 H new ATOM 0 HG2 GLU A 53 94.583 -1.141 13.419 1.00 0.00 H new ATOM 0 HG3 GLU A 53 92.971 -1.600 12.909 1.00 0.00 H new ATOM 812 N VAL A 54 92.700 -4.364 11.447 1.00 0.00 N ATOM 813 CA VAL A 54 91.646 -4.277 10.417 1.00 0.00 C ATOM 814 C VAL A 54 90.811 -3.024 10.695 1.00 0.00 C ATOM 815 O VAL A 54 90.497 -2.724 11.831 1.00 0.00 O ATOM 816 CB VAL A 54 90.776 -5.520 10.528 1.00 0.00 C ATOM 817 CG1 VAL A 54 91.601 -6.753 10.147 1.00 0.00 C ATOM 818 CG2 VAL A 54 90.293 -5.664 11.973 1.00 0.00 C ATOM 0 H VAL A 54 92.556 -5.090 12.149 1.00 0.00 H new ATOM 0 HA VAL A 54 92.070 -4.216 9.415 1.00 0.00 H new ATOM 0 HB VAL A 54 89.921 -5.432 9.858 1.00 0.00 H new ATOM 0 HG11 VAL A 54 90.980 -7.645 10.226 1.00 0.00 H new ATOM 0 HG12 VAL A 54 91.959 -6.649 9.123 1.00 0.00 H new ATOM 0 HG13 VAL A 54 92.453 -6.843 10.821 1.00 0.00 H new ATOM 0 HG21 VAL A 54 89.668 -6.553 12.061 1.00 0.00 H new ATOM 0 HG22 VAL A 54 91.153 -5.757 12.636 1.00 0.00 H new ATOM 0 HG23 VAL A 54 89.713 -4.784 12.252 1.00 0.00 H new ATOM 828 N LYS A 55 90.467 -2.272 9.688 1.00 0.00 N ATOM 829 CA LYS A 55 89.677 -1.032 9.947 1.00 0.00 C ATOM 830 C LYS A 55 88.388 -1.010 9.123 1.00 0.00 C ATOM 831 O LYS A 55 88.289 -1.624 8.080 1.00 0.00 O ATOM 832 CB LYS A 55 90.519 0.184 9.578 1.00 0.00 C ATOM 833 CG LYS A 55 91.660 0.336 10.582 1.00 0.00 C ATOM 834 CD LYS A 55 92.981 0.425 9.826 1.00 0.00 C ATOM 835 CE LYS A 55 94.119 0.650 10.823 1.00 0.00 C ATOM 836 NZ LYS A 55 95.264 1.311 10.138 1.00 0.00 N ATOM 0 H LYS A 55 90.693 -2.456 8.711 1.00 0.00 H new ATOM 0 HA LYS A 55 89.412 -1.011 11.004 1.00 0.00 H new ATOM 0 HB2 LYS A 55 90.919 0.070 8.571 1.00 0.00 H new ATOM 0 HB3 LYS A 55 89.900 1.081 9.576 1.00 0.00 H new ATOM 0 HG2 LYS A 55 91.512 1.231 11.187 1.00 0.00 H new ATOM 0 HG3 LYS A 55 91.675 -0.513 11.266 1.00 0.00 H new ATOM 0 HD2 LYS A 55 93.153 -0.491 9.261 1.00 0.00 H new ATOM 0 HD3 LYS A 55 92.947 1.242 9.105 1.00 0.00 H new ATOM 0 HE2 LYS A 55 93.773 1.268 11.651 1.00 0.00 H new ATOM 0 HE3 LYS A 55 94.437 -0.302 11.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 96.021 0.616 9.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 94.947 1.695 9.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 95.625 2.084 10.733 1.00 0.00 H new ATOM 850 N HIS A 56 87.410 -0.273 9.583 1.00 0.00 N ATOM 851 CA HIS A 56 86.123 -0.162 8.837 1.00 0.00 C ATOM 852 C HIS A 56 85.871 1.315 8.520 1.00 0.00 C ATOM 853 O HIS A 56 85.086 1.966 9.180 1.00 0.00 O ATOM 854 CB HIS A 56 84.958 -0.671 9.696 1.00 0.00 C ATOM 855 CG HIS A 56 85.161 -2.113 10.075 1.00 0.00 C ATOM 856 ND1 HIS A 56 85.761 -3.029 9.225 1.00 0.00 N ATOM 857 CD2 HIS A 56 84.822 -2.816 11.204 1.00 0.00 C ATOM 858 CE1 HIS A 56 85.764 -4.220 9.852 1.00 0.00 C ATOM 859 NE2 HIS A 56 85.204 -4.146 11.062 1.00 0.00 N ATOM 0 H HIS A 56 87.450 0.261 10.451 1.00 0.00 H new ATOM 0 HA HIS A 56 86.188 -0.758 7.927 1.00 0.00 H new ATOM 0 HB2 HIS A 56 84.872 -0.063 10.596 1.00 0.00 H new ATOM 0 HB3 HIS A 56 84.022 -0.563 9.148 1.00 0.00 H new ATOM 0 HD2 HIS A 56 84.332 -2.399 12.072 1.00 0.00 H new ATOM 0 HE1 HIS A 56 86.170 -5.126 9.428 1.00 0.00 H new ATOM 0 HE2 HIS A 56 85.083 -4.902 11.736 1.00 0.00 H new ATOM 867 N CYS A 57 86.522 1.868 7.528 1.00 0.00 N ATOM 868 CA CYS A 57 86.278 3.308 7.225 1.00 0.00 C ATOM 869 C CYS A 57 84.796 3.483 6.914 1.00 0.00 C ATOM 870 O CYS A 57 84.216 2.731 6.155 1.00 0.00 O ATOM 871 CB CYS A 57 87.125 3.757 6.030 1.00 0.00 C ATOM 872 SG CYS A 57 88.881 3.620 6.448 1.00 0.00 S ATOM 0 H CYS A 57 87.198 1.396 6.927 1.00 0.00 H new ATOM 0 HA CYS A 57 86.559 3.920 8.082 1.00 0.00 H new ATOM 0 HB2 CYS A 57 86.899 3.142 5.159 1.00 0.00 H new ATOM 0 HB3 CYS A 57 86.883 4.786 5.765 1.00 0.00 H new ATOM 0 HG CYS A 57 89.600 3.999 5.433 1.00 0.00 H new ATOM 878 N VAL A 58 84.172 4.451 7.517 1.00 0.00 N ATOM 879 CA VAL A 58 82.719 4.653 7.287 1.00 0.00 C ATOM 880 C VAL A 58 82.468 5.886 6.416 1.00 0.00 C ATOM 881 O VAL A 58 82.899 6.981 6.722 1.00 0.00 O ATOM 882 CB VAL A 58 82.027 4.820 8.639 1.00 0.00 C ATOM 883 CG1 VAL A 58 80.713 5.584 8.463 1.00 0.00 C ATOM 884 CG2 VAL A 58 81.731 3.436 9.223 1.00 0.00 C ATOM 0 H VAL A 58 84.606 5.112 8.161 1.00 0.00 H new ATOM 0 HA VAL A 58 82.317 3.786 6.763 1.00 0.00 H new ATOM 0 HB VAL A 58 82.678 5.379 9.311 1.00 0.00 H new ATOM 0 HG11 VAL A 58 80.226 5.699 9.432 1.00 0.00 H new ATOM 0 HG12 VAL A 58 80.918 6.568 8.041 1.00 0.00 H new ATOM 0 HG13 VAL A 58 80.057 5.030 7.791 1.00 0.00 H new ATOM 0 HG21 VAL A 58 81.237 3.546 10.188 1.00 0.00 H new ATOM 0 HG22 VAL A 58 81.080 2.886 8.543 1.00 0.00 H new ATOM 0 HG23 VAL A 58 82.665 2.889 9.354 1.00 0.00 H new ATOM 894 N ILE A 59 81.748 5.709 5.342 1.00 0.00 N ATOM 895 CA ILE A 59 81.428 6.852 4.451 1.00 0.00 C ATOM 896 C ILE A 59 79.908 7.040 4.428 1.00 0.00 C ATOM 897 O ILE A 59 79.161 6.089 4.308 1.00 0.00 O ATOM 898 CB ILE A 59 81.941 6.567 3.033 1.00 0.00 C ATOM 899 CG1 ILE A 59 81.958 5.060 2.777 1.00 0.00 C ATOM 900 CG2 ILE A 59 83.359 7.119 2.866 1.00 0.00 C ATOM 901 CD1 ILE A 59 82.211 4.797 1.291 1.00 0.00 C ATOM 0 H ILE A 59 81.366 4.811 5.044 1.00 0.00 H new ATOM 0 HA ILE A 59 81.909 7.758 4.819 1.00 0.00 H new ATOM 0 HB ILE A 59 81.276 7.052 2.319 1.00 0.00 H new ATOM 0 HG12 ILE A 59 82.735 4.587 3.378 1.00 0.00 H new ATOM 0 HG13 ILE A 59 81.008 4.618 3.079 1.00 0.00 H new ATOM 0 HG21 ILE A 59 83.714 6.911 1.856 1.00 0.00 H new ATOM 0 HG22 ILE A 59 83.352 8.196 3.034 1.00 0.00 H new ATOM 0 HG23 ILE A 59 84.022 6.643 3.588 1.00 0.00 H new ATOM 0 HD11 ILE A 59 82.223 3.722 1.109 1.00 0.00 H new ATOM 0 HD12 ILE A 59 81.419 5.256 0.700 1.00 0.00 H new ATOM 0 HD13 ILE A 59 83.172 5.225 1.004 1.00 0.00 H new ATOM 913 N ASN A 60 79.439 8.253 4.550 1.00 0.00 N ATOM 914 CA ASN A 60 77.961 8.479 4.542 1.00 0.00 C ATOM 915 C ASN A 60 77.590 9.477 3.443 1.00 0.00 C ATOM 916 O ASN A 60 78.217 10.511 3.290 1.00 0.00 O ATOM 917 CB ASN A 60 77.514 9.017 5.907 1.00 0.00 C ATOM 918 CG ASN A 60 78.174 10.372 6.173 1.00 0.00 C ATOM 919 OD1 ASN A 60 77.974 11.314 5.433 1.00 0.00 O ATOM 920 ND2 ASN A 60 78.957 10.509 7.209 1.00 0.00 N ATOM 0 H ASN A 60 80.009 9.093 4.654 1.00 0.00 H new ATOM 0 HA ASN A 60 77.456 7.533 4.345 1.00 0.00 H new ATOM 0 HB2 ASN A 60 76.429 9.120 5.930 1.00 0.00 H new ATOM 0 HB3 ASN A 60 77.784 8.311 6.692 1.00 0.00 H new ATOM 0 HD21 ASN A 60 79.401 11.408 7.397 1.00 0.00 H new ATOM 0 HD22 ASN A 60 79.124 9.717 7.830 1.00 0.00 H new ATOM 1167 N SER A 77 82.843 11.595 -8.032 1.00 0.00 N ATOM 1168 CA SER A 77 81.968 10.475 -7.579 1.00 0.00 C ATOM 1169 C SER A 77 82.768 9.433 -6.797 1.00 0.00 C ATOM 1170 O SER A 77 83.978 9.494 -6.700 1.00 0.00 O ATOM 1171 CB SER A 77 81.334 9.806 -8.798 1.00 0.00 C ATOM 1172 OG SER A 77 82.358 9.259 -9.617 1.00 0.00 O ATOM 0 HA SER A 77 81.198 10.884 -6.925 1.00 0.00 H new ATOM 0 HB2 SER A 77 80.648 9.021 -8.481 1.00 0.00 H new ATOM 0 HB3 SER A 77 80.749 10.532 -9.363 1.00 0.00 H new ATOM 0 HG SER A 77 83.189 9.760 -9.480 1.00 0.00 H new ATOM 1178 N LEU A 78 82.079 8.473 -6.242 1.00 0.00 N ATOM 1179 CA LEU A 78 82.758 7.405 -5.460 1.00 0.00 C ATOM 1180 C LEU A 78 83.747 6.651 -6.355 1.00 0.00 C ATOM 1181 O LEU A 78 84.793 6.222 -5.914 1.00 0.00 O ATOM 1182 CB LEU A 78 81.710 6.416 -4.943 1.00 0.00 C ATOM 1183 CG LEU A 78 80.861 7.073 -3.852 1.00 0.00 C ATOM 1184 CD1 LEU A 78 79.378 6.816 -4.135 1.00 0.00 C ATOM 1185 CD2 LEU A 78 81.225 6.468 -2.495 1.00 0.00 C ATOM 0 H LEU A 78 81.064 8.384 -6.299 1.00 0.00 H new ATOM 0 HA LEU A 78 83.293 7.859 -4.626 1.00 0.00 H new ATOM 0 HB2 LEU A 78 81.072 6.088 -5.764 1.00 0.00 H new ATOM 0 HB3 LEU A 78 82.201 5.527 -4.547 1.00 0.00 H new ATOM 0 HG LEU A 78 81.051 8.146 -3.841 1.00 0.00 H new ATOM 0 HD11 LEU A 78 78.773 7.284 -3.358 1.00 0.00 H new ATOM 0 HD12 LEU A 78 79.114 7.239 -5.104 1.00 0.00 H new ATOM 0 HD13 LEU A 78 79.190 5.742 -4.144 1.00 0.00 H new ATOM 0 HD21 LEU A 78 80.622 6.934 -1.715 1.00 0.00 H new ATOM 0 HD22 LEU A 78 81.032 5.395 -2.511 1.00 0.00 H new ATOM 0 HD23 LEU A 78 82.281 6.643 -2.290 1.00 0.00 H new ATOM 1197 N LYS A 79 83.417 6.465 -7.604 1.00 0.00 N ATOM 1198 CA LYS A 79 84.335 5.715 -8.508 1.00 0.00 C ATOM 1199 C LYS A 79 85.737 6.319 -8.444 1.00 0.00 C ATOM 1200 O LYS A 79 86.718 5.622 -8.275 1.00 0.00 O ATOM 1201 CB LYS A 79 83.822 5.811 -9.942 1.00 0.00 C ATOM 1202 CG LYS A 79 84.702 4.956 -10.850 1.00 0.00 C ATOM 1203 CD LYS A 79 84.181 5.036 -12.285 1.00 0.00 C ATOM 1204 CE LYS A 79 84.653 3.813 -13.066 1.00 0.00 C ATOM 1205 NZ LYS A 79 84.089 3.861 -14.445 1.00 0.00 N ATOM 0 H LYS A 79 82.555 6.798 -8.036 1.00 0.00 H new ATOM 0 HA LYS A 79 84.372 4.672 -8.192 1.00 0.00 H new ATOM 0 HB2 LYS A 79 82.788 5.471 -9.994 1.00 0.00 H new ATOM 0 HB3 LYS A 79 83.834 6.848 -10.276 1.00 0.00 H new ATOM 0 HG2 LYS A 79 85.734 5.304 -10.806 1.00 0.00 H new ATOM 0 HG3 LYS A 79 84.699 3.921 -10.508 1.00 0.00 H new ATOM 0 HD2 LYS A 79 83.092 5.083 -12.286 1.00 0.00 H new ATOM 0 HD3 LYS A 79 84.540 5.947 -12.763 1.00 0.00 H new ATOM 0 HE2 LYS A 79 85.742 3.791 -13.107 1.00 0.00 H new ATOM 0 HE3 LYS A 79 84.335 2.900 -12.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 84.409 3.029 -14.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 83.050 3.862 -14.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 84.414 4.726 -14.923 1.00 0.00 H new ATOM 1219 N GLU A 80 85.847 7.608 -8.573 1.00 0.00 N ATOM 1220 CA GLU A 80 87.191 8.244 -8.512 1.00 0.00 C ATOM 1221 C GLU A 80 87.664 8.252 -7.059 1.00 0.00 C ATOM 1222 O GLU A 80 88.839 8.372 -6.774 1.00 0.00 O ATOM 1223 CB GLU A 80 87.095 9.674 -9.039 1.00 0.00 C ATOM 1224 CG GLU A 80 86.664 9.641 -10.507 1.00 0.00 C ATOM 1225 CD GLU A 80 86.421 11.068 -10.998 1.00 0.00 C ATOM 1226 OE1 GLU A 80 85.990 11.883 -10.200 1.00 0.00 O ATOM 1227 OE2 GLU A 80 86.670 11.321 -12.165 1.00 0.00 O ATOM 0 H GLU A 80 85.067 8.249 -8.718 1.00 0.00 H new ATOM 0 HA GLU A 80 87.901 7.687 -9.123 1.00 0.00 H new ATOM 0 HB2 GLU A 80 86.377 10.244 -8.449 1.00 0.00 H new ATOM 0 HB3 GLU A 80 88.058 10.176 -8.941 1.00 0.00 H new ATOM 0 HG2 GLU A 80 87.434 9.163 -11.113 1.00 0.00 H new ATOM 0 HG3 GLU A 80 85.757 9.047 -10.618 1.00 0.00 H new ATOM 1234 N LEU A 81 86.748 8.124 -6.139 1.00 0.00 N ATOM 1235 CA LEU A 81 87.125 8.120 -4.699 1.00 0.00 C ATOM 1236 C LEU A 81 87.936 6.861 -4.384 1.00 0.00 C ATOM 1237 O LEU A 81 88.942 6.913 -3.704 1.00 0.00 O ATOM 1238 CB LEU A 81 85.850 8.142 -3.852 1.00 0.00 C ATOM 1239 CG LEU A 81 86.209 8.230 -2.366 1.00 0.00 C ATOM 1240 CD1 LEU A 81 84.987 8.695 -1.568 1.00 0.00 C ATOM 1241 CD2 LEU A 81 86.658 6.857 -1.855 1.00 0.00 C ATOM 0 H LEU A 81 85.750 8.022 -6.325 1.00 0.00 H new ATOM 0 HA LEU A 81 87.731 8.997 -4.472 1.00 0.00 H new ATOM 0 HB2 LEU A 81 85.230 8.992 -4.136 1.00 0.00 H new ATOM 0 HB3 LEU A 81 85.263 7.243 -4.040 1.00 0.00 H new ATOM 0 HG LEU A 81 87.022 8.945 -2.238 1.00 0.00 H new ATOM 0 HD11 LEU A 81 85.245 8.757 -0.511 1.00 0.00 H new ATOM 0 HD12 LEU A 81 84.673 9.677 -1.923 1.00 0.00 H new ATOM 0 HD13 LEU A 81 84.173 7.983 -1.702 1.00 0.00 H new ATOM 0 HD21 LEU A 81 86.912 6.928 -0.797 1.00 0.00 H new ATOM 0 HD22 LEU A 81 85.850 6.138 -1.987 1.00 0.00 H new ATOM 0 HD23 LEU A 81 87.532 6.528 -2.417 1.00 0.00 H new ATOM 1253 N VAL A 82 87.514 5.728 -4.878 1.00 0.00 N ATOM 1254 CA VAL A 82 88.272 4.477 -4.602 1.00 0.00 C ATOM 1255 C VAL A 82 89.650 4.574 -5.258 1.00 0.00 C ATOM 1256 O VAL A 82 90.658 4.231 -4.672 1.00 0.00 O ATOM 1257 CB VAL A 82 87.514 3.270 -5.170 1.00 0.00 C ATOM 1258 CG1 VAL A 82 87.768 3.148 -6.674 1.00 0.00 C ATOM 1259 CG2 VAL A 82 87.996 1.993 -4.485 1.00 0.00 C ATOM 0 H VAL A 82 86.682 5.616 -5.457 1.00 0.00 H new ATOM 0 HA VAL A 82 88.384 4.349 -3.525 1.00 0.00 H new ATOM 0 HB VAL A 82 86.448 3.411 -4.991 1.00 0.00 H new ATOM 0 HG11 VAL A 82 87.225 2.288 -7.066 1.00 0.00 H new ATOM 0 HG12 VAL A 82 87.425 4.053 -7.175 1.00 0.00 H new ATOM 0 HG13 VAL A 82 88.835 3.016 -6.853 1.00 0.00 H new ATOM 0 HG21 VAL A 82 87.456 1.137 -4.890 1.00 0.00 H new ATOM 0 HG22 VAL A 82 89.064 1.866 -4.663 1.00 0.00 H new ATOM 0 HG23 VAL A 82 87.812 2.064 -3.413 1.00 0.00 H new ATOM 1269 N LEU A 83 89.697 5.046 -6.476 1.00 0.00 N ATOM 1270 CA LEU A 83 91.002 5.176 -7.180 1.00 0.00 C ATOM 1271 C LEU A 83 91.845 6.253 -6.500 1.00 0.00 C ATOM 1272 O LEU A 83 93.028 6.087 -6.280 1.00 0.00 O ATOM 1273 CB LEU A 83 90.743 5.581 -8.633 1.00 0.00 C ATOM 1274 CG LEU A 83 92.072 5.799 -9.353 1.00 0.00 C ATOM 1275 CD1 LEU A 83 92.869 4.494 -9.363 1.00 0.00 C ATOM 1276 CD2 LEU A 83 91.802 6.242 -10.791 1.00 0.00 C ATOM 0 H LEU A 83 88.884 5.347 -7.013 1.00 0.00 H new ATOM 0 HA LEU A 83 91.534 4.225 -7.146 1.00 0.00 H new ATOM 0 HB2 LEU A 83 90.167 4.806 -9.139 1.00 0.00 H new ATOM 0 HB3 LEU A 83 90.147 6.493 -8.665 1.00 0.00 H new ATOM 0 HG LEU A 83 92.645 6.568 -8.835 1.00 0.00 H new ATOM 0 HD11 LEU A 83 93.817 4.651 -9.877 1.00 0.00 H new ATOM 0 HD12 LEU A 83 93.060 4.177 -8.338 1.00 0.00 H new ATOM 0 HD13 LEU A 83 92.298 3.723 -9.881 1.00 0.00 H new ATOM 0 HD21 LEU A 83 92.749 6.398 -11.307 1.00 0.00 H new ATOM 0 HD22 LEU A 83 91.230 5.471 -11.308 1.00 0.00 H new ATOM 0 HD23 LEU A 83 91.234 7.172 -10.785 1.00 0.00 H new ATOM 1288 N HIS A 84 91.241 7.357 -6.171 1.00 0.00 N ATOM 1289 CA HIS A 84 91.998 8.454 -5.511 1.00 0.00 C ATOM 1290 C HIS A 84 92.554 7.977 -4.166 1.00 0.00 C ATOM 1291 O HIS A 84 93.665 8.303 -3.798 1.00 0.00 O ATOM 1292 CB HIS A 84 91.069 9.648 -5.287 1.00 0.00 C ATOM 1293 CG HIS A 84 91.859 10.771 -4.683 1.00 0.00 C ATOM 1294 ND1 HIS A 84 92.763 11.520 -5.420 1.00 0.00 N ATOM 1295 CD2 HIS A 84 91.909 11.270 -3.407 1.00 0.00 C ATOM 1296 CE1 HIS A 84 93.314 12.420 -4.588 1.00 0.00 C ATOM 1297 NE2 HIS A 84 92.828 12.313 -3.347 1.00 0.00 N ATOM 0 H HIS A 84 90.252 7.548 -6.331 1.00 0.00 H new ATOM 0 HA HIS A 84 92.829 8.750 -6.152 1.00 0.00 H new ATOM 0 HB2 HIS A 84 90.626 9.964 -6.232 1.00 0.00 H new ATOM 0 HB3 HIS A 84 90.247 9.368 -4.628 1.00 0.00 H new ATOM 0 HD2 HIS A 84 91.324 10.908 -2.575 1.00 0.00 H new ATOM 0 HE1 HIS A 84 94.059 13.143 -4.886 1.00 0.00 H new ATOM 0 HE2 HIS A 84 93.077 12.874 -2.533 1.00 0.00 H new ATOM 1305 N TYR A 85 91.797 7.216 -3.422 1.00 0.00 N ATOM 1306 CA TYR A 85 92.305 6.739 -2.103 1.00 0.00 C ATOM 1307 C TYR A 85 93.524 5.843 -2.328 1.00 0.00 C ATOM 1308 O TYR A 85 94.395 5.734 -1.488 1.00 0.00 O ATOM 1309 CB TYR A 85 91.211 5.956 -1.364 1.00 0.00 C ATOM 1310 CG TYR A 85 90.124 6.889 -0.857 1.00 0.00 C ATOM 1311 CD1 TYR A 85 90.011 8.199 -1.347 1.00 0.00 C ATOM 1312 CD2 TYR A 85 89.218 6.430 0.109 1.00 0.00 C ATOM 1313 CE1 TYR A 85 88.999 9.040 -0.871 1.00 0.00 C ATOM 1314 CE2 TYR A 85 88.205 7.272 0.581 1.00 0.00 C ATOM 1315 CZ TYR A 85 88.096 8.576 0.091 1.00 0.00 C ATOM 1316 OH TYR A 85 87.093 9.406 0.551 1.00 0.00 O ATOM 0 H TYR A 85 90.857 6.906 -3.667 1.00 0.00 H new ATOM 0 HA TYR A 85 92.589 7.598 -1.495 1.00 0.00 H new ATOM 0 HB2 TYR A 85 90.775 5.213 -2.032 1.00 0.00 H new ATOM 0 HB3 TYR A 85 91.649 5.413 -0.527 1.00 0.00 H new ATOM 0 HD1 TYR A 85 90.705 8.558 -2.092 1.00 0.00 H new ATOM 0 HD2 TYR A 85 89.302 5.423 0.490 1.00 0.00 H new ATOM 0 HE1 TYR A 85 88.915 10.049 -1.247 1.00 0.00 H new ATOM 0 HE2 TYR A 85 87.508 6.914 1.324 1.00 0.00 H new ATOM 0 HH TYR A 85 86.553 8.929 1.215 1.00 0.00 H new ATOM 1326 N GLN A 86 93.593 5.208 -3.463 1.00 0.00 N ATOM 1327 CA GLN A 86 94.762 4.329 -3.756 1.00 0.00 C ATOM 1328 C GLN A 86 96.040 5.165 -3.837 1.00 0.00 C ATOM 1329 O GLN A 86 97.107 4.727 -3.459 1.00 0.00 O ATOM 1330 CB GLN A 86 94.553 3.625 -5.096 1.00 0.00 C ATOM 1331 CG GLN A 86 95.843 2.894 -5.478 1.00 0.00 C ATOM 1332 CD GLN A 86 95.620 2.066 -6.747 1.00 0.00 C ATOM 1333 OE1 GLN A 86 95.751 0.858 -6.733 1.00 0.00 O ATOM 1334 NE2 GLN A 86 95.295 2.670 -7.856 1.00 0.00 N ATOM 0 H GLN A 86 92.892 5.258 -4.202 1.00 0.00 H new ATOM 0 HA GLN A 86 94.854 3.593 -2.957 1.00 0.00 H new ATOM 0 HB2 GLN A 86 93.726 2.919 -5.026 1.00 0.00 H new ATOM 0 HB3 GLN A 86 94.288 4.350 -5.866 1.00 0.00 H new ATOM 0 HG2 GLN A 86 96.645 3.615 -5.640 1.00 0.00 H new ATOM 0 HG3 GLN A 86 96.158 2.245 -4.661 1.00 0.00 H new ATOM 0 HE21 GLN A 86 95.184 3.684 -7.871 1.00 0.00 H new ATOM 0 HE22 GLN A 86 95.151 2.129 -8.708 1.00 0.00 H new ATOM 1343 N HIS A 87 95.945 6.361 -4.343 1.00 0.00 N ATOM 1344 CA HIS A 87 97.158 7.216 -4.462 1.00 0.00 C ATOM 1345 C HIS A 87 97.315 8.067 -3.202 1.00 0.00 C ATOM 1346 O HIS A 87 98.379 8.586 -2.923 1.00 0.00 O ATOM 1347 CB HIS A 87 97.016 8.117 -5.690 1.00 0.00 C ATOM 1348 CG HIS A 87 98.272 8.919 -5.883 1.00 0.00 C ATOM 1349 ND1 HIS A 87 99.446 8.357 -6.361 1.00 0.00 N ATOM 1350 CD2 HIS A 87 98.551 10.246 -5.672 1.00 0.00 C ATOM 1351 CE1 HIS A 87 100.368 9.336 -6.421 1.00 0.00 C ATOM 1352 NE2 HIS A 87 99.874 10.508 -6.013 1.00 0.00 N ATOM 0 H HIS A 87 95.080 6.784 -4.680 1.00 0.00 H new ATOM 0 HA HIS A 87 98.042 6.588 -4.573 1.00 0.00 H new ATOM 0 HB2 HIS A 87 96.821 7.512 -6.575 1.00 0.00 H new ATOM 0 HB3 HIS A 87 96.163 8.784 -5.566 1.00 0.00 H new ATOM 0 HD2 HIS A 87 97.849 10.977 -5.298 1.00 0.00 H new ATOM 0 HE1 HIS A 87 101.384 9.191 -6.758 1.00 0.00 H new ATOM 0 HE2 HIS A 87 100.362 11.402 -5.962 1.00 0.00 H new ATOM 1360 N THR A 88 96.268 8.216 -2.438 1.00 0.00 N ATOM 1361 CA THR A 88 96.366 9.033 -1.196 1.00 0.00 C ATOM 1362 C THR A 88 96.484 8.104 0.013 1.00 0.00 C ATOM 1363 O THR A 88 95.640 7.262 0.247 1.00 0.00 O ATOM 1364 CB THR A 88 95.109 9.896 -1.058 1.00 0.00 C ATOM 1365 OG1 THR A 88 94.983 10.731 -2.201 1.00 0.00 O ATOM 1366 CG2 THR A 88 95.209 10.758 0.200 1.00 0.00 C ATOM 0 H THR A 88 95.351 7.808 -2.620 1.00 0.00 H new ATOM 0 HA THR A 88 97.245 9.676 -1.247 1.00 0.00 H new ATOM 0 HB THR A 88 94.234 9.251 -0.980 1.00 0.00 H new ATOM 0 HG1 THR A 88 94.132 11.216 -2.160 1.00 0.00 H new ATOM 0 HG21 THR A 88 94.312 11.370 0.294 1.00 0.00 H new ATOM 0 HG22 THR A 88 95.302 10.115 1.075 1.00 0.00 H new ATOM 0 HG23 THR A 88 96.084 11.404 0.130 1.00 0.00 H new ATOM 1374 N SER A 89 97.525 8.253 0.784 1.00 0.00 N ATOM 1375 CA SER A 89 97.695 7.382 1.978 1.00 0.00 C ATOM 1376 C SER A 89 96.678 7.794 3.045 1.00 0.00 C ATOM 1377 O SER A 89 96.490 8.963 3.314 1.00 0.00 O ATOM 1378 CB SER A 89 99.114 7.544 2.521 1.00 0.00 C ATOM 1379 OG SER A 89 99.343 6.573 3.533 1.00 0.00 O ATOM 0 H SER A 89 98.265 8.940 0.638 1.00 0.00 H new ATOM 0 HA SER A 89 97.532 6.339 1.707 1.00 0.00 H new ATOM 0 HB2 SER A 89 99.839 7.425 1.716 1.00 0.00 H new ATOM 0 HB3 SER A 89 99.248 8.547 2.926 1.00 0.00 H new ATOM 0 HG SER A 89 100.258 6.663 3.871 1.00 0.00 H new ATOM 1385 N LEU A 90 96.006 6.847 3.641 1.00 0.00 N ATOM 1386 CA LEU A 90 94.991 7.198 4.674 1.00 0.00 C ATOM 1387 C LEU A 90 95.636 7.938 5.851 1.00 0.00 C ATOM 1388 O LEU A 90 95.097 8.921 6.310 1.00 0.00 O ATOM 1389 CB LEU A 90 94.320 5.925 5.182 1.00 0.00 C ATOM 1390 CG LEU A 90 93.370 5.392 4.117 1.00 0.00 C ATOM 1391 CD1 LEU A 90 92.793 4.050 4.578 1.00 0.00 C ATOM 1392 CD2 LEU A 90 92.234 6.395 3.909 1.00 0.00 C ATOM 0 H LEU A 90 96.115 5.849 3.458 1.00 0.00 H new ATOM 0 HA LEU A 90 94.250 7.855 4.218 1.00 0.00 H new ATOM 0 HB2 LEU A 90 95.073 5.174 5.421 1.00 0.00 H new ATOM 0 HB3 LEU A 90 93.773 6.132 6.102 1.00 0.00 H new ATOM 0 HG LEU A 90 93.908 5.251 3.179 1.00 0.00 H new ATOM 0 HD11 LEU A 90 92.113 3.666 3.818 1.00 0.00 H new ATOM 0 HD12 LEU A 90 93.604 3.339 4.731 1.00 0.00 H new ATOM 0 HD13 LEU A 90 92.251 4.189 5.513 1.00 0.00 H new ATOM 0 HD21 LEU A 90 91.551 6.018 3.148 1.00 0.00 H new ATOM 0 HD22 LEU A 90 91.693 6.532 4.846 1.00 0.00 H new ATOM 0 HD23 LEU A 90 92.647 7.350 3.585 1.00 0.00 H new ATOM 1404 N VAL A 91 96.779 7.484 6.328 1.00 0.00 N ATOM 1405 CA VAL A 91 97.466 8.171 7.480 1.00 0.00 C ATOM 1406 C VAL A 91 96.459 9.063 8.225 1.00 0.00 C ATOM 1407 O VAL A 91 95.925 8.686 9.249 1.00 0.00 O ATOM 1408 CB VAL A 91 98.619 9.008 6.911 1.00 0.00 C ATOM 1409 CG1 VAL A 91 99.242 9.887 7.995 1.00 0.00 C ATOM 1410 CG2 VAL A 91 99.688 8.067 6.355 1.00 0.00 C ATOM 0 H VAL A 91 97.267 6.664 5.967 1.00 0.00 H new ATOM 0 HA VAL A 91 97.857 7.441 8.189 1.00 0.00 H new ATOM 0 HB VAL A 91 98.228 9.652 6.123 1.00 0.00 H new ATOM 0 HG11 VAL A 91 100.057 10.470 7.567 1.00 0.00 H new ATOM 0 HG12 VAL A 91 98.485 10.561 8.396 1.00 0.00 H new ATOM 0 HG13 VAL A 91 99.629 9.257 8.796 1.00 0.00 H new ATOM 0 HG21 VAL A 91 100.512 8.653 5.948 1.00 0.00 H new ATOM 0 HG22 VAL A 91 100.059 7.425 7.154 1.00 0.00 H new ATOM 0 HG23 VAL A 91 99.256 7.451 5.566 1.00 0.00 H new ATOM 1420 N GLN A 92 96.175 10.225 7.697 1.00 0.00 N ATOM 1421 CA GLN A 92 95.175 11.132 8.343 1.00 0.00 C ATOM 1422 C GLN A 92 95.751 11.760 9.617 1.00 0.00 C ATOM 1423 O GLN A 92 96.901 11.563 9.958 1.00 0.00 O ATOM 1424 CB GLN A 92 93.916 10.331 8.692 1.00 0.00 C ATOM 1425 CG GLN A 92 92.698 11.260 8.689 1.00 0.00 C ATOM 1426 CD GLN A 92 91.840 10.984 9.925 1.00 0.00 C ATOM 1427 OE1 GLN A 92 92.023 11.603 10.954 1.00 0.00 O ATOM 1428 NE2 GLN A 92 90.903 10.076 9.869 1.00 0.00 N ATOM 0 H GLN A 92 96.594 10.588 6.841 1.00 0.00 H new ATOM 0 HA GLN A 92 94.928 11.932 7.645 1.00 0.00 H new ATOM 0 HB2 GLN A 92 93.774 9.526 7.971 1.00 0.00 H new ATOM 0 HB3 GLN A 92 94.029 9.866 9.671 1.00 0.00 H new ATOM 0 HG2 GLN A 92 93.022 12.301 8.683 1.00 0.00 H new ATOM 0 HG3 GLN A 92 92.111 11.104 7.784 1.00 0.00 H new ATOM 0 HE21 GLN A 92 90.748 9.555 9.006 1.00 0.00 H new ATOM 0 HE22 GLN A 92 90.326 9.887 10.689 1.00 0.00 H new ATOM 1437 N HIS A 93 94.950 12.519 10.324 1.00 0.00 N ATOM 1438 CA HIS A 93 95.439 13.171 11.577 1.00 0.00 C ATOM 1439 C HIS A 93 95.895 12.094 12.555 1.00 0.00 C ATOM 1440 O HIS A 93 96.889 12.243 13.240 1.00 0.00 O ATOM 1441 CB HIS A 93 94.308 13.987 12.210 1.00 0.00 C ATOM 1442 CG HIS A 93 94.842 14.740 13.398 1.00 0.00 C ATOM 1443 ND1 HIS A 93 95.687 15.831 13.262 1.00 0.00 N ATOM 1444 CD2 HIS A 93 94.670 14.568 14.750 1.00 0.00 C ATOM 1445 CE1 HIS A 93 95.989 16.268 14.498 1.00 0.00 C ATOM 1446 NE2 HIS A 93 95.395 15.533 15.442 1.00 0.00 N ATOM 0 H HIS A 93 93.978 12.715 10.087 1.00 0.00 H new ATOM 0 HA HIS A 93 96.272 13.834 11.342 1.00 0.00 H new ATOM 0 HB2 HIS A 93 93.894 14.683 11.480 1.00 0.00 H new ATOM 0 HB3 HIS A 93 93.497 13.327 12.518 1.00 0.00 H new ATOM 0 HD2 HIS A 93 94.064 13.800 15.207 1.00 0.00 H new ATOM 0 HE1 HIS A 93 96.633 17.110 14.702 1.00 0.00 H new ATOM 0 HE2 HIS A 93 95.459 15.653 16.453 1.00 0.00 H new ATOM 1454 N ASN A 94 95.186 11.006 12.617 1.00 0.00 N ATOM 1455 CA ASN A 94 95.589 9.912 13.537 1.00 0.00 C ATOM 1456 C ASN A 94 97.030 9.529 13.223 1.00 0.00 C ATOM 1457 O ASN A 94 97.767 9.074 14.073 1.00 0.00 O ATOM 1458 CB ASN A 94 94.681 8.704 13.319 1.00 0.00 C ATOM 1459 CG ASN A 94 94.974 7.648 14.385 1.00 0.00 C ATOM 1460 OD1 ASN A 94 96.094 7.521 14.838 1.00 0.00 O ATOM 1461 ND2 ASN A 94 94.009 6.877 14.805 1.00 0.00 N ATOM 0 H ASN A 94 94.344 10.827 12.070 1.00 0.00 H new ATOM 0 HA ASN A 94 95.504 10.239 14.573 1.00 0.00 H new ATOM 0 HB2 ASN A 94 93.635 9.008 13.370 1.00 0.00 H new ATOM 0 HB3 ASN A 94 94.844 8.288 12.325 1.00 0.00 H new ATOM 0 HD21 ASN A 94 94.195 6.167 15.514 1.00 0.00 H new ATOM 0 HD22 ASN A 94 93.069 6.984 14.425 1.00 0.00 H new ATOM 1468 N ASP A 95 97.428 9.712 11.994 1.00 0.00 N ATOM 1469 CA ASP A 95 98.815 9.368 11.586 1.00 0.00 C ATOM 1470 C ASP A 95 99.060 7.876 11.794 1.00 0.00 C ATOM 1471 O ASP A 95 100.141 7.464 12.169 1.00 0.00 O ATOM 1472 CB ASP A 95 99.817 10.183 12.411 1.00 0.00 C ATOM 1473 CG ASP A 95 99.730 11.656 12.002 1.00 0.00 C ATOM 1474 OD1 ASP A 95 99.211 11.923 10.930 1.00 0.00 O ATOM 1475 OD2 ASP A 95 100.188 12.492 12.765 1.00 0.00 O ATOM 0 H ASP A 95 96.843 10.090 11.249 1.00 0.00 H new ATOM 0 HA ASP A 95 98.947 9.606 10.531 1.00 0.00 H new ATOM 0 HB2 ASP A 95 99.602 10.076 13.474 1.00 0.00 H new ATOM 0 HB3 ASP A 95 100.828 9.808 12.250 1.00 0.00 H new ATOM 1480 N SER A 96 98.074 7.050 11.551 1.00 0.00 N ATOM 1481 CA SER A 96 98.293 5.590 11.741 1.00 0.00 C ATOM 1482 C SER A 96 97.647 4.783 10.612 1.00 0.00 C ATOM 1483 O SER A 96 97.726 3.570 10.591 1.00 0.00 O ATOM 1484 CB SER A 96 97.715 5.151 13.087 1.00 0.00 C ATOM 1485 OG SER A 96 96.319 5.423 13.110 1.00 0.00 O ATOM 0 H SER A 96 97.143 7.320 11.235 1.00 0.00 H new ATOM 0 HA SER A 96 99.366 5.401 11.724 1.00 0.00 H new ATOM 0 HB2 SER A 96 97.892 4.087 13.242 1.00 0.00 H new ATOM 0 HB3 SER A 96 98.214 5.679 13.900 1.00 0.00 H new ATOM 0 HG SER A 96 95.945 5.142 13.971 1.00 0.00 H new ATOM 1491 N LEU A 97 97.026 5.426 9.666 1.00 0.00 N ATOM 1492 CA LEU A 97 96.410 4.656 8.550 1.00 0.00 C ATOM 1493 C LEU A 97 97.353 4.725 7.354 1.00 0.00 C ATOM 1494 O LEU A 97 97.019 5.251 6.315 1.00 0.00 O ATOM 1495 CB LEU A 97 95.054 5.265 8.181 1.00 0.00 C ATOM 1496 CG LEU A 97 94.178 5.315 9.428 1.00 0.00 C ATOM 1497 CD1 LEU A 97 92.878 6.058 9.118 1.00 0.00 C ATOM 1498 CD2 LEU A 97 93.858 3.889 9.872 1.00 0.00 C ATOM 0 H LEU A 97 96.918 6.439 9.615 1.00 0.00 H new ATOM 0 HA LEU A 97 96.251 3.620 8.848 1.00 0.00 H new ATOM 0 HB2 LEU A 97 95.189 6.268 7.775 1.00 0.00 H new ATOM 0 HB3 LEU A 97 94.572 4.670 7.406 1.00 0.00 H new ATOM 0 HG LEU A 97 94.707 5.839 10.224 1.00 0.00 H new ATOM 0 HD11 LEU A 97 92.256 6.091 10.012 1.00 0.00 H new ATOM 0 HD12 LEU A 97 93.107 7.074 8.798 1.00 0.00 H new ATOM 0 HD13 LEU A 97 92.343 5.539 8.323 1.00 0.00 H new ATOM 0 HD21 LEU A 97 93.232 3.917 10.764 1.00 0.00 H new ATOM 0 HD22 LEU A 97 93.329 3.369 9.073 1.00 0.00 H new ATOM 0 HD23 LEU A 97 94.785 3.361 10.096 1.00 0.00 H new ATOM 1510 N ASN A 98 98.543 4.216 7.495 1.00 0.00 N ATOM 1511 CA ASN A 98 99.498 4.287 6.362 1.00 0.00 C ATOM 1512 C ASN A 98 99.197 3.176 5.357 1.00 0.00 C ATOM 1513 O ASN A 98 99.960 2.247 5.187 1.00 0.00 O ATOM 1514 CB ASN A 98 100.924 4.153 6.891 1.00 0.00 C ATOM 1515 CG ASN A 98 101.911 4.502 5.776 1.00 0.00 C ATOM 1516 OD1 ASN A 98 101.656 4.231 4.619 1.00 0.00 O ATOM 1517 ND2 ASN A 98 103.031 5.103 6.074 1.00 0.00 N ATOM 0 H ASN A 98 98.892 3.759 8.337 1.00 0.00 H new ATOM 0 HA ASN A 98 99.394 5.248 5.858 1.00 0.00 H new ATOM 0 HB2 ASN A 98 101.072 4.816 7.744 1.00 0.00 H new ATOM 0 HB3 ASN A 98 101.100 3.136 7.243 1.00 0.00 H new ATOM 0 HD21 ASN A 98 103.692 5.345 5.336 1.00 0.00 H new ATOM 0 HD22 ASN A 98 103.245 5.330 7.045 1.00 0.00 H new ATOM 1524 N VAL A 99 98.089 3.286 4.676 1.00 0.00 N ATOM 1525 CA VAL A 99 97.723 2.263 3.657 1.00 0.00 C ATOM 1526 C VAL A 99 96.839 2.921 2.605 1.00 0.00 C ATOM 1527 O VAL A 99 96.101 3.845 2.887 1.00 0.00 O ATOM 1528 CB VAL A 99 96.955 1.109 4.302 1.00 0.00 C ATOM 1529 CG1 VAL A 99 96.538 0.114 3.219 1.00 0.00 C ATOM 1530 CG2 VAL A 99 97.845 0.399 5.317 1.00 0.00 C ATOM 0 H VAL A 99 97.417 4.046 4.783 1.00 0.00 H new ATOM 0 HA VAL A 99 98.633 1.867 3.205 1.00 0.00 H new ATOM 0 HB VAL A 99 96.072 1.502 4.807 1.00 0.00 H new ATOM 0 HG11 VAL A 99 95.990 -0.711 3.674 1.00 0.00 H new ATOM 0 HG12 VAL A 99 95.900 0.615 2.491 1.00 0.00 H new ATOM 0 HG13 VAL A 99 97.426 -0.273 2.719 1.00 0.00 H new ATOM 0 HG21 VAL A 99 97.293 -0.422 5.774 1.00 0.00 H new ATOM 0 HG22 VAL A 99 98.729 0.007 4.814 1.00 0.00 H new ATOM 0 HG23 VAL A 99 98.150 1.105 6.090 1.00 0.00 H new ATOM 1540 N THR A 100 96.902 2.454 1.397 1.00 0.00 N ATOM 1541 CA THR A 100 96.067 3.055 0.328 1.00 0.00 C ATOM 1542 C THR A 100 95.140 1.980 -0.238 1.00 0.00 C ATOM 1543 O THR A 100 95.459 0.808 -0.222 1.00 0.00 O ATOM 1544 CB THR A 100 96.979 3.585 -0.782 1.00 0.00 C ATOM 1545 OG1 THR A 100 97.541 2.490 -1.495 1.00 0.00 O ATOM 1546 CG2 THR A 100 98.107 4.419 -0.166 1.00 0.00 C ATOM 0 H THR A 100 97.497 1.680 1.101 1.00 0.00 H new ATOM 0 HA THR A 100 95.473 3.875 0.731 1.00 0.00 H new ATOM 0 HB THR A 100 96.397 4.206 -1.462 1.00 0.00 H new ATOM 0 HG1 THR A 100 97.659 2.738 -2.436 1.00 0.00 H new ATOM 0 HG21 THR A 100 98.755 4.795 -0.957 1.00 0.00 H new ATOM 0 HG22 THR A 100 97.681 5.258 0.384 1.00 0.00 H new ATOM 0 HG23 THR A 100 98.689 3.798 0.515 1.00 0.00 H new ATOM 1554 N LEU A 101 94.000 2.358 -0.745 1.00 0.00 N ATOM 1555 CA LEU A 101 93.075 1.335 -1.314 1.00 0.00 C ATOM 1556 C LEU A 101 93.624 0.913 -2.680 1.00 0.00 C ATOM 1557 O LEU A 101 93.074 1.242 -3.713 1.00 0.00 O ATOM 1558 CB LEU A 101 91.674 1.941 -1.469 1.00 0.00 C ATOM 1559 CG LEU A 101 91.196 2.463 -0.111 1.00 0.00 C ATOM 1560 CD1 LEU A 101 89.716 2.843 -0.192 1.00 0.00 C ATOM 1561 CD2 LEU A 101 91.387 1.379 0.953 1.00 0.00 C ATOM 0 H LEU A 101 93.669 3.322 -0.791 1.00 0.00 H new ATOM 0 HA LEU A 101 93.005 0.469 -0.656 1.00 0.00 H new ATOM 0 HB2 LEU A 101 91.694 2.752 -2.197 1.00 0.00 H new ATOM 0 HB3 LEU A 101 90.980 1.190 -1.848 1.00 0.00 H new ATOM 0 HG LEU A 101 91.779 3.344 0.158 1.00 0.00 H new ATOM 0 HD11 LEU A 101 89.382 3.214 0.777 1.00 0.00 H new ATOM 0 HD12 LEU A 101 89.581 3.620 -0.944 1.00 0.00 H new ATOM 0 HD13 LEU A 101 89.130 1.966 -0.467 1.00 0.00 H new ATOM 0 HD21 LEU A 101 91.046 1.753 1.919 1.00 0.00 H new ATOM 0 HD22 LEU A 101 90.809 0.496 0.681 1.00 0.00 H new ATOM 0 HD23 LEU A 101 92.443 1.115 1.018 1.00 0.00 H new ATOM 1573 N ALA A 102 94.737 0.222 -2.688 1.00 0.00 N ATOM 1574 CA ALA A 102 95.362 -0.181 -3.982 1.00 0.00 C ATOM 1575 C ALA A 102 95.066 -1.639 -4.364 1.00 0.00 C ATOM 1576 O ALA A 102 95.142 -1.991 -5.524 1.00 0.00 O ATOM 1577 CB ALA A 102 96.879 0.017 -3.886 1.00 0.00 C ATOM 0 H ALA A 102 95.239 -0.080 -1.853 1.00 0.00 H new ATOM 0 HA ALA A 102 94.930 0.448 -4.760 1.00 0.00 H new ATOM 0 HB1 ALA A 102 97.344 -0.275 -4.827 1.00 0.00 H new ATOM 0 HB2 ALA A 102 97.097 1.066 -3.683 1.00 0.00 H new ATOM 0 HB3 ALA A 102 97.276 -0.599 -3.079 1.00 0.00 H new ATOM 1583 N TYR A 103 94.763 -2.506 -3.433 1.00 0.00 N ATOM 1584 CA TYR A 103 94.516 -3.924 -3.836 1.00 0.00 C ATOM 1585 C TYR A 103 93.056 -4.317 -3.578 1.00 0.00 C ATOM 1586 O TYR A 103 92.662 -4.550 -2.457 1.00 0.00 O ATOM 1587 CB TYR A 103 95.438 -4.846 -3.029 1.00 0.00 C ATOM 1588 CG TYR A 103 95.263 -6.270 -3.500 1.00 0.00 C ATOM 1589 CD1 TYR A 103 95.919 -6.710 -4.655 1.00 0.00 C ATOM 1590 CD2 TYR A 103 94.446 -7.151 -2.782 1.00 0.00 C ATOM 1591 CE1 TYR A 103 95.757 -8.031 -5.093 1.00 0.00 C ATOM 1592 CE2 TYR A 103 94.283 -8.471 -3.218 1.00 0.00 C ATOM 1593 CZ TYR A 103 94.939 -8.912 -4.373 1.00 0.00 C ATOM 1594 OH TYR A 103 94.778 -10.214 -4.803 1.00 0.00 O ATOM 0 H TYR A 103 94.677 -2.303 -2.437 1.00 0.00 H new ATOM 0 HA TYR A 103 94.721 -4.025 -4.902 1.00 0.00 H new ATOM 0 HB2 TYR A 103 96.476 -4.537 -3.150 1.00 0.00 H new ATOM 0 HB3 TYR A 103 95.205 -4.772 -1.967 1.00 0.00 H new ATOM 0 HD1 TYR A 103 96.550 -6.031 -5.209 1.00 0.00 H new ATOM 0 HD2 TYR A 103 93.940 -6.812 -1.890 1.00 0.00 H new ATOM 0 HE1 TYR A 103 96.262 -8.370 -5.985 1.00 0.00 H new ATOM 0 HE2 TYR A 103 93.651 -9.149 -2.663 1.00 0.00 H new ATOM 0 HH TYR A 103 94.180 -10.690 -4.189 1.00 0.00 H new ATOM 1604 N PRO A 104 92.262 -4.420 -4.616 1.00 0.00 N ATOM 1605 CA PRO A 104 90.837 -4.829 -4.481 1.00 0.00 C ATOM 1606 C PRO A 104 90.722 -6.220 -3.851 1.00 0.00 C ATOM 1607 O PRO A 104 91.543 -7.084 -4.087 1.00 0.00 O ATOM 1608 CB PRO A 104 90.305 -4.854 -5.915 1.00 0.00 C ATOM 1609 CG PRO A 104 91.298 -4.119 -6.753 1.00 0.00 C ATOM 1610 CD PRO A 104 92.632 -4.155 -6.015 1.00 0.00 C ATOM 0 HA PRO A 104 90.279 -4.150 -3.837 1.00 0.00 H new ATOM 0 HB2 PRO A 104 90.186 -5.879 -6.266 1.00 0.00 H new ATOM 0 HB3 PRO A 104 89.325 -4.381 -5.972 1.00 0.00 H new ATOM 0 HG2 PRO A 104 91.390 -4.583 -7.735 1.00 0.00 H new ATOM 0 HG3 PRO A 104 90.977 -3.090 -6.915 1.00 0.00 H new ATOM 0 HD2 PRO A 104 93.284 -4.934 -6.409 1.00 0.00 H new ATOM 0 HD3 PRO A 104 93.168 -3.211 -6.114 1.00 0.00 H new ATOM 1618 N VAL A 105 89.717 -6.449 -3.058 1.00 0.00 N ATOM 1619 CA VAL A 105 89.565 -7.788 -2.423 1.00 0.00 C ATOM 1620 C VAL A 105 89.252 -8.828 -3.504 1.00 0.00 C ATOM 1621 O VAL A 105 89.484 -10.009 -3.336 1.00 0.00 O ATOM 1622 CB VAL A 105 88.426 -7.730 -1.409 1.00 0.00 C ATOM 1623 CG1 VAL A 105 87.129 -7.338 -2.120 1.00 0.00 C ATOM 1624 CG2 VAL A 105 88.251 -9.101 -0.754 1.00 0.00 C ATOM 0 H VAL A 105 88.994 -5.770 -2.821 1.00 0.00 H new ATOM 0 HA VAL A 105 90.488 -8.069 -1.915 1.00 0.00 H new ATOM 0 HB VAL A 105 88.661 -6.990 -0.644 1.00 0.00 H new ATOM 0 HG11 VAL A 105 86.315 -7.297 -1.396 1.00 0.00 H new ATOM 0 HG12 VAL A 105 87.251 -6.360 -2.586 1.00 0.00 H new ATOM 0 HG13 VAL A 105 86.896 -8.078 -2.886 1.00 0.00 H new ATOM 0 HG21 VAL A 105 87.437 -9.057 -0.030 1.00 0.00 H new ATOM 0 HG22 VAL A 105 88.017 -9.842 -1.518 1.00 0.00 H new ATOM 0 HG23 VAL A 105 89.174 -9.382 -0.246 1.00 0.00 H new ATOM 1634 N TYR A 106 88.733 -8.388 -4.618 1.00 0.00 N ATOM 1635 CA TYR A 106 88.404 -9.328 -5.725 1.00 0.00 C ATOM 1636 C TYR A 106 89.133 -8.872 -6.991 1.00 0.00 C ATOM 1637 O TYR A 106 88.526 -8.501 -7.977 1.00 0.00 O ATOM 1638 CB TYR A 106 86.891 -9.332 -5.972 1.00 0.00 C ATOM 1639 CG TYR A 106 86.169 -9.961 -4.801 1.00 0.00 C ATOM 1640 CD1 TYR A 106 86.303 -11.330 -4.545 1.00 0.00 C ATOM 1641 CD2 TYR A 106 85.354 -9.173 -3.976 1.00 0.00 C ATOM 1642 CE1 TYR A 106 85.626 -11.913 -3.467 1.00 0.00 C ATOM 1643 CE2 TYR A 106 84.676 -9.757 -2.899 1.00 0.00 C ATOM 1644 CZ TYR A 106 84.813 -11.127 -2.646 1.00 0.00 C ATOM 1645 OH TYR A 106 84.141 -11.705 -1.588 1.00 0.00 O ATOM 0 H TYR A 106 88.521 -7.409 -4.809 1.00 0.00 H new ATOM 0 HA TYR A 106 88.719 -10.337 -5.458 1.00 0.00 H new ATOM 0 HB2 TYR A 106 86.537 -8.312 -6.120 1.00 0.00 H new ATOM 0 HB3 TYR A 106 86.666 -9.883 -6.885 1.00 0.00 H new ATOM 0 HD1 TYR A 106 86.930 -11.938 -5.180 1.00 0.00 H new ATOM 0 HD2 TYR A 106 85.249 -8.116 -4.171 1.00 0.00 H new ATOM 0 HE1 TYR A 106 85.732 -12.970 -3.270 1.00 0.00 H new ATOM 0 HE2 TYR A 106 84.047 -9.151 -2.264 1.00 0.00 H new ATOM 0 HH TYR A 106 83.621 -11.020 -1.117 1.00 0.00 H new ATOM 1655 N ALA A 107 90.435 -8.885 -6.954 1.00 0.00 N ATOM 1656 CA ALA A 107 91.239 -8.443 -8.133 1.00 0.00 C ATOM 1657 C ALA A 107 91.012 -9.378 -9.326 1.00 0.00 C ATOM 1658 O ALA A 107 89.921 -9.857 -9.559 1.00 0.00 O ATOM 1659 CB ALA A 107 92.722 -8.455 -7.760 1.00 0.00 C ATOM 0 H ALA A 107 90.985 -9.186 -6.150 1.00 0.00 H new ATOM 0 HA ALA A 107 90.927 -7.437 -8.413 1.00 0.00 H new ATOM 0 HB1 ALA A 107 93.315 -8.133 -8.616 1.00 0.00 H new ATOM 0 HB2 ALA A 107 92.893 -7.776 -6.925 1.00 0.00 H new ATOM 0 HB3 ALA A 107 93.017 -9.464 -7.473 1.00 0.00 H new