USER MOD reduce.3.24.130724 H: found=0, std=0, add=826, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 824 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 83 HIS : no HD1:sc= 0.496 K(o=2.5,f=-5.1!) USER MOD Set 1.2: A 85 TYR OH : rot -16:sc= 1.22 USER MOD Set 1.3: A 90 LYS NZ :NH3+ 156:sc= 0.812 (180deg=0.501) USER MOD Set 2.1: A 24 HIS : no HD1:sc= -0.158 X(o=-0.16,f=-0.012) USER MOD Set 2.2: A 25 LYS NZ :NH3+ -150:sc= 0 (180deg=-0.174) USER MOD Single : A 3 SER OG : rot 127:sc= 0.963 USER MOD Single : A 9 SER OG : rot 180:sc= -0.141 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= -0.102 X(o=-0.1,f=-0.33) USER MOD Single : A 19 LYS NZ :NH3+ 177:sc= 0.47 (180deg=0.377) USER MOD Single : A 21 LYS NZ :NH3+ -166:sc= 0.461 (180deg=0.256) USER MOD Single : A 32 THR OG1 : rot 80:sc= 1.04 USER MOD Single : A 34 THR OG1 : rot -84:sc= 1.23 USER MOD Single : A 40 LYS NZ :NH3+ 146:sc= 0.535 (180deg=-0.0587) USER MOD Single : A 41 MET CE :methyl -171:sc= -0.0142 (180deg=-0.13) USER MOD Single : A 48 THR OG1 : rot 65:sc= 0.741 USER MOD Single : A 50 SER OG : rot -62:sc= 1.56 USER MOD Single : A 51 ASN : amide:sc= 0.0428! X(o=0.043!,f=-0.039) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 168:sc= 0.356 (180deg=0.252) USER MOD Single : A 77 THR OG1 : rot 119:sc= 0.374 USER MOD Single : A 79 MET CE :methyl -177:sc= 0 (180deg=-0.0123) USER MOD Single : A 81 THR OG1 : rot -8:sc= 0.561 USER MOD Single : A 86 LYS NZ :NH3+ 177:sc= 0.843 (180deg=0.838) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 99 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.106) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 HIS : no HD1:sc= -0.476 K(o=-0.48,f=-4.7!) USER MOD ----------------------------------------------------------------- ATOM 17 N SER A 3 0.808 -9.125 4.834 1.00 0.00 N ATOM 18 CA SER A 3 0.799 -8.576 3.488 1.00 0.00 C ATOM 19 C SER A 3 0.382 -7.099 3.470 1.00 0.00 C ATOM 20 O SER A 3 0.600 -6.408 2.475 1.00 0.00 O ATOM 21 CB SER A 3 -0.141 -9.431 2.637 1.00 0.00 C ATOM 22 OG SER A 3 -1.495 -9.182 2.970 1.00 0.00 O ATOM 0 HA SER A 3 1.808 -8.605 3.078 1.00 0.00 H new ATOM 0 HB2 SER A 3 0.023 -9.217 1.581 1.00 0.00 H new ATOM 0 HB3 SER A 3 0.086 -10.487 2.787 1.00 0.00 H new ATOM 0 HG SER A 3 -1.995 -8.956 2.158 1.00 0.00 H new ATOM 28 N VAL A 4 -0.242 -6.620 4.550 1.00 0.00 N ATOM 29 CA VAL A 4 -0.681 -5.244 4.697 1.00 0.00 C ATOM 30 C VAL A 4 0.381 -4.517 5.500 1.00 0.00 C ATOM 31 O VAL A 4 0.480 -4.763 6.704 1.00 0.00 O ATOM 32 CB VAL A 4 -2.050 -5.222 5.398 1.00 0.00 C ATOM 33 CG1 VAL A 4 -2.459 -3.785 5.750 1.00 0.00 C ATOM 34 CG2 VAL A 4 -3.111 -5.922 4.539 1.00 0.00 C ATOM 0 H VAL A 4 -0.457 -7.199 5.362 1.00 0.00 H new ATOM 0 HA VAL A 4 -0.804 -4.749 3.734 1.00 0.00 H new ATOM 0 HB VAL A 4 -1.969 -5.776 6.333 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -3.430 -3.794 6.245 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -1.716 -3.348 6.417 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -2.522 -3.191 4.838 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -4.072 -5.895 5.054 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -3.198 -5.411 3.580 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -2.818 -6.958 4.372 1.00 0.00 H new ATOM 44 N ILE A 5 1.155 -3.629 4.870 1.00 0.00 N ATOM 45 CA ILE A 5 2.261 -2.998 5.568 1.00 0.00 C ATOM 46 C ILE A 5 2.585 -1.606 5.013 1.00 0.00 C ATOM 47 O ILE A 5 2.380 -1.307 3.835 1.00 0.00 O ATOM 48 CB ILE A 5 3.453 -3.994 5.526 1.00 0.00 C ATOM 49 CG1 ILE A 5 3.741 -4.468 6.959 1.00 0.00 C ATOM 50 CG2 ILE A 5 4.716 -3.416 4.880 1.00 0.00 C ATOM 51 CD1 ILE A 5 4.865 -5.503 7.060 1.00 0.00 C ATOM 0 H ILE A 5 1.035 -3.340 3.899 1.00 0.00 H new ATOM 0 HA ILE A 5 2.002 -2.798 6.608 1.00 0.00 H new ATOM 0 HB ILE A 5 3.164 -4.832 4.891 1.00 0.00 H new ATOM 0 HG12 ILE A 5 4.001 -3.604 7.571 1.00 0.00 H new ATOM 0 HG13 ILE A 5 2.830 -4.894 7.379 1.00 0.00 H new ATOM 0 HG21 ILE A 5 5.505 -4.168 4.887 1.00 0.00 H new ATOM 0 HG22 ILE A 5 4.499 -3.127 3.852 1.00 0.00 H new ATOM 0 HG23 ILE A 5 5.044 -2.541 5.441 1.00 0.00 H new ATOM 0 HD11 ILE A 5 5.006 -5.786 8.103 1.00 0.00 H new ATOM 0 HD12 ILE A 5 4.601 -6.385 6.477 1.00 0.00 H new ATOM 0 HD13 ILE A 5 5.789 -5.075 6.672 1.00 0.00 H new ATOM 63 N VAL A 6 3.085 -0.752 5.909 1.00 0.00 N ATOM 64 CA VAL A 6 3.608 0.569 5.622 1.00 0.00 C ATOM 65 C VAL A 6 5.111 0.353 5.512 1.00 0.00 C ATOM 66 O VAL A 6 5.693 -0.194 6.449 1.00 0.00 O ATOM 67 CB VAL A 6 3.257 1.550 6.756 1.00 0.00 C ATOM 68 CG1 VAL A 6 3.787 2.954 6.433 1.00 0.00 C ATOM 69 CG2 VAL A 6 1.746 1.626 7.009 1.00 0.00 C ATOM 0 H VAL A 6 3.135 -0.983 6.901 1.00 0.00 H new ATOM 0 HA VAL A 6 3.189 1.007 4.716 1.00 0.00 H new ATOM 0 HB VAL A 6 3.733 1.172 7.660 1.00 0.00 H new ATOM 0 HG11 VAL A 6 3.531 3.635 7.244 1.00 0.00 H new ATOM 0 HG12 VAL A 6 4.870 2.917 6.319 1.00 0.00 H new ATOM 0 HG13 VAL A 6 3.337 3.308 5.506 1.00 0.00 H new ATOM 0 HG21 VAL A 6 1.547 2.330 7.817 1.00 0.00 H new ATOM 0 HG22 VAL A 6 1.242 1.962 6.103 1.00 0.00 H new ATOM 0 HG23 VAL A 6 1.374 0.640 7.287 1.00 0.00 H new ATOM 79 N ILE A 7 5.743 0.713 4.392 1.00 0.00 N ATOM 80 CA ILE A 7 7.161 0.438 4.230 1.00 0.00 C ATOM 81 C ILE A 7 7.832 1.501 3.373 1.00 0.00 C ATOM 82 O ILE A 7 7.225 2.034 2.450 1.00 0.00 O ATOM 83 CB ILE A 7 7.325 -0.983 3.649 1.00 0.00 C ATOM 84 CG1 ILE A 7 8.678 -1.599 4.026 1.00 0.00 C ATOM 85 CG2 ILE A 7 7.161 -1.009 2.122 1.00 0.00 C ATOM 86 CD1 ILE A 7 8.715 -2.031 5.499 1.00 0.00 C ATOM 0 H ILE A 7 5.302 1.185 3.603 1.00 0.00 H new ATOM 0 HA ILE A 7 7.661 0.476 5.198 1.00 0.00 H new ATOM 0 HB ILE A 7 6.528 -1.580 4.092 1.00 0.00 H new ATOM 0 HG12 ILE A 7 8.875 -2.461 3.389 1.00 0.00 H new ATOM 0 HG13 ILE A 7 9.472 -0.876 3.839 1.00 0.00 H new ATOM 0 HG21 ILE A 7 7.285 -2.030 1.760 1.00 0.00 H new ATOM 0 HG22 ILE A 7 6.167 -0.648 1.857 1.00 0.00 H new ATOM 0 HG23 ILE A 7 7.914 -0.368 1.664 1.00 0.00 H new ATOM 0 HD11 ILE A 7 9.690 -2.462 5.727 1.00 0.00 H new ATOM 0 HD12 ILE A 7 8.544 -1.164 6.137 1.00 0.00 H new ATOM 0 HD13 ILE A 7 7.938 -2.774 5.680 1.00 0.00 H new ATOM 98 N ASP A 8 9.099 1.786 3.682 1.00 0.00 N ATOM 99 CA ASP A 8 9.906 2.766 2.976 1.00 0.00 C ATOM 100 C ASP A 8 11.350 2.282 2.930 1.00 0.00 C ATOM 101 O ASP A 8 12.271 2.964 3.376 1.00 0.00 O ATOM 102 CB ASP A 8 9.780 4.130 3.665 1.00 0.00 C ATOM 103 CG ASP A 8 8.416 4.749 3.404 1.00 0.00 C ATOM 104 OD1 ASP A 8 8.127 4.977 2.211 1.00 0.00 O ATOM 105 OD2 ASP A 8 7.684 4.978 4.391 1.00 0.00 O ATOM 0 H ASP A 8 9.596 1.329 4.446 1.00 0.00 H new ATOM 0 HA ASP A 8 9.555 2.882 1.951 1.00 0.00 H new ATOM 0 HB2 ASP A 8 9.931 4.015 4.738 1.00 0.00 H new ATOM 0 HB3 ASP A 8 10.562 4.798 3.303 1.00 0.00 H new ATOM 110 N SER A 9 11.554 1.079 2.391 1.00 0.00 N ATOM 111 CA SER A 9 12.875 0.509 2.193 1.00 0.00 C ATOM 112 C SER A 9 12.785 -0.550 1.101 1.00 0.00 C ATOM 113 O SER A 9 12.105 -1.557 1.281 1.00 0.00 O ATOM 114 CB SER A 9 13.410 -0.124 3.481 1.00 0.00 C ATOM 115 OG SER A 9 13.371 0.774 4.572 1.00 0.00 O ATOM 0 H SER A 9 10.796 0.472 2.079 1.00 0.00 H new ATOM 0 HA SER A 9 13.563 1.304 1.904 1.00 0.00 H new ATOM 0 HB2 SER A 9 12.822 -1.010 3.720 1.00 0.00 H new ATOM 0 HB3 SER A 9 14.436 -0.456 3.322 1.00 0.00 H new ATOM 0 HG SER A 9 13.719 0.330 5.373 1.00 0.00 H new ATOM 121 N LYS A 10 13.487 -0.337 -0.011 1.00 0.00 N ATOM 122 CA LYS A 10 13.524 -1.247 -1.151 1.00 0.00 C ATOM 123 C LYS A 10 13.786 -2.701 -0.742 1.00 0.00 C ATOM 124 O LYS A 10 13.214 -3.643 -1.286 1.00 0.00 O ATOM 125 CB LYS A 10 14.583 -0.744 -2.124 1.00 0.00 C ATOM 126 CG LYS A 10 15.994 -0.570 -1.545 1.00 0.00 C ATOM 127 CD LYS A 10 16.908 0.033 -2.616 1.00 0.00 C ATOM 128 CE LYS A 10 18.319 0.194 -2.047 1.00 0.00 C ATOM 129 NZ LYS A 10 19.242 0.760 -3.046 1.00 0.00 N ATOM 0 H LYS A 10 14.060 0.496 -0.146 1.00 0.00 H new ATOM 0 HA LYS A 10 12.544 -1.253 -1.628 1.00 0.00 H new ATOM 0 HB2 LYS A 10 14.638 -1.438 -2.962 1.00 0.00 H new ATOM 0 HB3 LYS A 10 14.255 0.215 -2.525 1.00 0.00 H new ATOM 0 HG2 LYS A 10 15.963 0.078 -0.669 1.00 0.00 H new ATOM 0 HG3 LYS A 10 16.386 -1.532 -1.215 1.00 0.00 H new ATOM 0 HD2 LYS A 10 16.930 -0.610 -3.496 1.00 0.00 H new ATOM 0 HD3 LYS A 10 16.521 1.000 -2.938 1.00 0.00 H new ATOM 0 HE2 LYS A 10 18.288 0.842 -1.171 1.00 0.00 H new ATOM 0 HE3 LYS A 10 18.691 -0.775 -1.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 20.189 0.856 -2.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 19.290 0.129 -3.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 18.899 1.695 -3.345 1.00 0.00 H new ATOM 143 N ALA A 11 14.664 -2.874 0.238 1.00 0.00 N ATOM 144 CA ALA A 11 14.988 -4.190 0.778 1.00 0.00 C ATOM 145 C ALA A 11 13.720 -4.865 1.319 1.00 0.00 C ATOM 146 O ALA A 11 13.444 -6.031 1.038 1.00 0.00 O ATOM 147 CB ALA A 11 16.039 -4.042 1.880 1.00 0.00 C ATOM 0 H ALA A 11 15.171 -2.108 0.681 1.00 0.00 H new ATOM 0 HA ALA A 11 15.395 -4.820 -0.013 1.00 0.00 H new ATOM 0 HB1 ALA A 11 16.282 -5.024 2.285 1.00 0.00 H new ATOM 0 HB2 ALA A 11 16.939 -3.587 1.466 1.00 0.00 H new ATOM 0 HB3 ALA A 11 15.646 -3.409 2.675 1.00 0.00 H new ATOM 153 N ALA A 12 12.930 -4.116 2.092 1.00 0.00 N ATOM 154 CA ALA A 12 11.704 -4.620 2.682 1.00 0.00 C ATOM 155 C ALA A 12 10.620 -4.754 1.610 1.00 0.00 C ATOM 156 O ALA A 12 9.826 -5.688 1.667 1.00 0.00 O ATOM 157 CB ALA A 12 11.277 -3.704 3.822 1.00 0.00 C ATOM 0 H ALA A 12 13.129 -3.143 2.322 1.00 0.00 H new ATOM 0 HA ALA A 12 11.870 -5.614 3.096 1.00 0.00 H new ATOM 0 HB1 ALA A 12 10.356 -4.081 4.266 1.00 0.00 H new ATOM 0 HB2 ALA A 12 12.060 -3.676 4.579 1.00 0.00 H new ATOM 0 HB3 ALA A 12 11.109 -2.698 3.437 1.00 0.00 H new ATOM 163 N TRP A 13 10.583 -3.835 0.636 1.00 0.00 N ATOM 164 CA TRP A 13 9.691 -3.924 -0.518 1.00 0.00 C ATOM 165 C TRP A 13 9.889 -5.307 -1.151 1.00 0.00 C ATOM 166 O TRP A 13 8.935 -6.063 -1.334 1.00 0.00 O ATOM 167 CB TRP A 13 10.018 -2.784 -1.504 1.00 0.00 C ATOM 168 CG TRP A 13 9.412 -2.835 -2.876 1.00 0.00 C ATOM 169 CD1 TRP A 13 9.825 -3.652 -3.871 1.00 0.00 C ATOM 170 CD2 TRP A 13 8.427 -1.952 -3.491 1.00 0.00 C ATOM 171 NE1 TRP A 13 9.092 -3.429 -5.014 1.00 0.00 N ATOM 172 CE2 TRP A 13 8.232 -2.369 -4.843 1.00 0.00 C ATOM 173 CE3 TRP A 13 7.719 -0.806 -3.071 1.00 0.00 C ATOM 174 CZ2 TRP A 13 7.347 -1.722 -5.714 1.00 0.00 C ATOM 175 CZ3 TRP A 13 6.896 -0.099 -3.967 1.00 0.00 C ATOM 176 CH2 TRP A 13 6.666 -0.582 -5.266 1.00 0.00 C ATOM 0 H TRP A 13 11.176 -3.005 0.631 1.00 0.00 H new ATOM 0 HA TRP A 13 8.646 -3.812 -0.230 1.00 0.00 H new ATOM 0 HB2 TRP A 13 9.713 -1.846 -1.040 1.00 0.00 H new ATOM 0 HB3 TRP A 13 11.101 -2.745 -1.620 1.00 0.00 H new ATOM 0 HD1 TRP A 13 10.619 -4.378 -3.781 1.00 0.00 H new ATOM 0 HE1 TRP A 13 9.175 -3.975 -5.871 1.00 0.00 H new ATOM 0 HE3 TRP A 13 7.810 -0.467 -2.049 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 7.192 -2.096 -6.715 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 6.436 0.826 -3.652 1.00 0.00 H new ATOM 0 HH2 TRP A 13 5.967 -0.077 -5.917 1.00 0.00 H new ATOM 187 N ASP A 14 11.149 -5.645 -1.453 1.00 0.00 N ATOM 188 CA ASP A 14 11.516 -6.928 -2.037 1.00 0.00 C ATOM 189 C ASP A 14 11.079 -8.075 -1.134 1.00 0.00 C ATOM 190 O ASP A 14 10.421 -9.015 -1.576 1.00 0.00 O ATOM 191 CB ASP A 14 13.028 -6.982 -2.246 1.00 0.00 C ATOM 192 CG ASP A 14 13.422 -8.245 -3.000 1.00 0.00 C ATOM 193 OD1 ASP A 14 13.295 -8.224 -4.243 1.00 0.00 O ATOM 194 OD2 ASP A 14 13.830 -9.209 -2.318 1.00 0.00 O ATOM 0 H ASP A 14 11.944 -5.026 -1.295 1.00 0.00 H new ATOM 0 HA ASP A 14 11.010 -7.032 -2.997 1.00 0.00 H new ATOM 0 HB2 ASP A 14 13.355 -6.103 -2.802 1.00 0.00 H new ATOM 0 HB3 ASP A 14 13.535 -6.955 -1.281 1.00 0.00 H new ATOM 199 N ALA A 15 11.452 -7.987 0.142 1.00 0.00 N ATOM 200 CA ALA A 15 11.105 -9.005 1.128 1.00 0.00 C ATOM 201 C ALA A 15 9.600 -9.291 1.124 1.00 0.00 C ATOM 202 O ALA A 15 9.183 -10.451 1.099 1.00 0.00 O ATOM 203 CB ALA A 15 11.575 -8.573 2.520 1.00 0.00 C ATOM 0 H ALA A 15 12.000 -7.213 0.518 1.00 0.00 H new ATOM 0 HA ALA A 15 11.615 -9.930 0.859 1.00 0.00 H new ATOM 0 HB1 ALA A 15 11.311 -9.340 3.248 1.00 0.00 H new ATOM 0 HB2 ALA A 15 12.656 -8.437 2.513 1.00 0.00 H new ATOM 0 HB3 ALA A 15 11.093 -7.634 2.792 1.00 0.00 H new ATOM 209 N GLN A 16 8.782 -8.234 1.162 1.00 0.00 N ATOM 210 CA GLN A 16 7.332 -8.362 1.127 1.00 0.00 C ATOM 211 C GLN A 16 6.932 -9.035 -0.184 1.00 0.00 C ATOM 212 O GLN A 16 6.178 -10.003 -0.174 1.00 0.00 O ATOM 213 CB GLN A 16 6.636 -7.001 1.268 1.00 0.00 C ATOM 214 CG GLN A 16 5.105 -7.177 1.313 1.00 0.00 C ATOM 215 CD GLN A 16 4.614 -7.842 2.591 1.00 0.00 C ATOM 216 OE1 GLN A 16 4.299 -9.027 2.600 1.00 0.00 O ATOM 217 NE2 GLN A 16 4.512 -7.079 3.673 1.00 0.00 N ATOM 0 H GLN A 16 9.111 -7.270 1.218 1.00 0.00 H new ATOM 0 HA GLN A 16 7.012 -8.970 1.973 1.00 0.00 H new ATOM 0 HB2 GLN A 16 6.977 -6.504 2.176 1.00 0.00 H new ATOM 0 HB3 GLN A 16 6.909 -6.358 0.431 1.00 0.00 H new ATOM 0 HG2 GLN A 16 4.631 -6.201 1.214 1.00 0.00 H new ATOM 0 HG3 GLN A 16 4.789 -7.773 0.457 1.00 0.00 H new ATOM 0 HE21 GLN A 16 4.783 -6.096 3.632 1.00 0.00 H new ATOM 0 HE22 GLN A 16 4.163 -7.475 4.546 1.00 0.00 H new ATOM 226 N LEU A 17 7.428 -8.513 -1.311 1.00 0.00 N ATOM 227 CA LEU A 17 7.125 -9.047 -2.633 1.00 0.00 C ATOM 228 C LEU A 17 7.336 -10.564 -2.641 1.00 0.00 C ATOM 229 O LEU A 17 6.433 -11.308 -3.017 1.00 0.00 O ATOM 230 CB LEU A 17 7.983 -8.313 -3.679 1.00 0.00 C ATOM 231 CG LEU A 17 7.586 -8.594 -5.135 1.00 0.00 C ATOM 232 CD1 LEU A 17 6.139 -8.170 -5.407 1.00 0.00 C ATOM 233 CD2 LEU A 17 8.516 -7.811 -6.068 1.00 0.00 C ATOM 0 H LEU A 17 8.052 -7.706 -1.327 1.00 0.00 H new ATOM 0 HA LEU A 17 6.080 -8.877 -2.890 1.00 0.00 H new ATOM 0 HB2 LEU A 17 7.916 -7.240 -3.498 1.00 0.00 H new ATOM 0 HB3 LEU A 17 9.026 -8.596 -3.539 1.00 0.00 H new ATOM 0 HG LEU A 17 7.673 -9.666 -5.314 1.00 0.00 H new ATOM 0 HD11 LEU A 17 5.887 -8.381 -6.446 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.468 -8.724 -4.751 1.00 0.00 H new ATOM 0 HD13 LEU A 17 6.031 -7.102 -5.218 1.00 0.00 H new ATOM 0 HD21 LEU A 17 8.240 -8.006 -7.104 1.00 0.00 H new ATOM 0 HD22 LEU A 17 8.424 -6.745 -5.862 1.00 0.00 H new ATOM 0 HD23 LEU A 17 9.547 -8.125 -5.902 1.00 0.00 H new ATOM 245 N ALA A 18 8.495 -11.015 -2.157 1.00 0.00 N ATOM 246 CA ALA A 18 8.839 -12.426 -2.063 1.00 0.00 C ATOM 247 C ALA A 18 7.804 -13.196 -1.234 1.00 0.00 C ATOM 248 O ALA A 18 7.142 -14.099 -1.749 1.00 0.00 O ATOM 249 CB ALA A 18 10.243 -12.557 -1.472 1.00 0.00 C ATOM 0 H ALA A 18 9.230 -10.396 -1.815 1.00 0.00 H new ATOM 0 HA ALA A 18 8.831 -12.867 -3.060 1.00 0.00 H new ATOM 0 HB1 ALA A 18 10.510 -13.611 -1.398 1.00 0.00 H new ATOM 0 HB2 ALA A 18 10.958 -12.046 -2.117 1.00 0.00 H new ATOM 0 HB3 ALA A 18 10.263 -12.107 -0.480 1.00 0.00 H new ATOM 255 N LYS A 19 7.628 -12.843 0.046 1.00 0.00 N ATOM 256 CA LYS A 19 6.672 -13.571 0.886 1.00 0.00 C ATOM 257 C LYS A 19 5.232 -13.423 0.374 1.00 0.00 C ATOM 258 O LYS A 19 4.364 -14.192 0.782 1.00 0.00 O ATOM 259 CB LYS A 19 6.795 -13.154 2.360 1.00 0.00 C ATOM 260 CG LYS A 19 6.342 -11.716 2.620 1.00 0.00 C ATOM 261 CD LYS A 19 6.380 -11.328 4.106 1.00 0.00 C ATOM 262 CE LYS A 19 7.778 -11.393 4.733 1.00 0.00 C ATOM 263 NZ LYS A 19 8.739 -10.529 4.024 1.00 0.00 N ATOM 0 H LYS A 19 8.120 -12.080 0.511 1.00 0.00 H new ATOM 0 HA LYS A 19 6.924 -14.630 0.821 1.00 0.00 H new ATOM 0 HB2 LYS A 19 6.201 -13.832 2.973 1.00 0.00 H new ATOM 0 HB3 LYS A 19 7.832 -13.264 2.677 1.00 0.00 H new ATOM 0 HG2 LYS A 19 6.979 -11.034 2.057 1.00 0.00 H new ATOM 0 HG3 LYS A 19 5.327 -11.588 2.244 1.00 0.00 H new ATOM 0 HD2 LYS A 19 5.990 -10.316 4.217 1.00 0.00 H new ATOM 0 HD3 LYS A 19 5.713 -11.989 4.660 1.00 0.00 H new ATOM 0 HE2 LYS A 19 7.721 -11.091 5.779 1.00 0.00 H new ATOM 0 HE3 LYS A 19 8.135 -12.423 4.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 9.659 -10.562 4.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 8.851 -10.864 3.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 8.386 -9.551 4.017 1.00 0.00 H new ATOM 277 N GLY A 20 4.975 -12.451 -0.510 1.00 0.00 N ATOM 278 CA GLY A 20 3.685 -12.202 -1.123 1.00 0.00 C ATOM 279 C GLY A 20 3.211 -13.390 -1.963 1.00 0.00 C ATOM 280 O GLY A 20 2.013 -13.511 -2.207 1.00 0.00 O ATOM 0 H GLY A 20 5.693 -11.798 -0.823 1.00 0.00 H new ATOM 0 HA2 GLY A 20 2.950 -11.990 -0.347 1.00 0.00 H new ATOM 0 HA3 GLY A 20 3.748 -11.315 -1.753 1.00 0.00 H new ATOM 284 N LYS A 21 4.128 -14.268 -2.395 1.00 0.00 N ATOM 285 CA LYS A 21 3.812 -15.459 -3.181 1.00 0.00 C ATOM 286 C LYS A 21 3.278 -15.014 -4.548 1.00 0.00 C ATOM 287 O LYS A 21 2.091 -15.098 -4.858 1.00 0.00 O ATOM 288 CB LYS A 21 2.853 -16.401 -2.422 1.00 0.00 C ATOM 289 CG LYS A 21 3.149 -16.437 -0.920 1.00 0.00 C ATOM 290 CD LYS A 21 2.555 -17.672 -0.236 1.00 0.00 C ATOM 291 CE LYS A 21 2.539 -17.481 1.287 1.00 0.00 C ATOM 292 NZ LYS A 21 3.841 -17.020 1.805 1.00 0.00 N ATOM 0 H LYS A 21 5.124 -14.165 -2.202 1.00 0.00 H new ATOM 0 HA LYS A 21 4.712 -16.051 -3.346 1.00 0.00 H new ATOM 0 HB2 LYS A 21 1.825 -16.075 -2.581 1.00 0.00 H new ATOM 0 HB3 LYS A 21 2.935 -17.408 -2.831 1.00 0.00 H new ATOM 0 HG2 LYS A 21 4.228 -16.423 -0.765 1.00 0.00 H new ATOM 0 HG3 LYS A 21 2.748 -15.538 -0.452 1.00 0.00 H new ATOM 0 HD2 LYS A 21 1.542 -17.845 -0.598 1.00 0.00 H new ATOM 0 HD3 LYS A 21 3.140 -18.555 -0.493 1.00 0.00 H new ATOM 0 HE2 LYS A 21 1.768 -16.758 1.553 1.00 0.00 H new ATOM 0 HE3 LYS A 21 2.272 -18.423 1.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 3.862 -17.130 2.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 4.603 -17.586 1.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 3.977 -16.018 1.561 1.00 0.00 H new ATOM 306 N GLU A 22 4.204 -14.535 -5.378 1.00 0.00 N ATOM 307 CA GLU A 22 3.985 -13.949 -6.691 1.00 0.00 C ATOM 308 C GLU A 22 3.564 -14.970 -7.765 1.00 0.00 C ATOM 309 O GLU A 22 4.140 -14.988 -8.851 1.00 0.00 O ATOM 310 CB GLU A 22 5.282 -13.235 -7.115 1.00 0.00 C ATOM 311 CG GLU A 22 5.906 -12.346 -6.026 1.00 0.00 C ATOM 312 CD GLU A 22 7.092 -13.024 -5.348 1.00 0.00 C ATOM 313 OE1 GLU A 22 6.864 -14.092 -4.741 1.00 0.00 O ATOM 314 OE2 GLU A 22 8.210 -12.478 -5.477 1.00 0.00 O ATOM 0 H GLU A 22 5.193 -14.549 -5.129 1.00 0.00 H new ATOM 0 HA GLU A 22 3.151 -13.251 -6.610 1.00 0.00 H new ATOM 0 HB2 GLU A 22 6.013 -13.985 -7.417 1.00 0.00 H new ATOM 0 HB3 GLU A 22 5.074 -12.622 -7.992 1.00 0.00 H new ATOM 0 HG2 GLU A 22 6.231 -11.404 -6.468 1.00 0.00 H new ATOM 0 HG3 GLU A 22 5.151 -12.104 -5.279 1.00 0.00 H new ATOM 321 N GLU A 23 2.566 -15.812 -7.483 1.00 0.00 N ATOM 322 CA GLU A 23 2.047 -16.764 -8.462 1.00 0.00 C ATOM 323 C GLU A 23 1.136 -16.029 -9.450 1.00 0.00 C ATOM 324 O GLU A 23 1.361 -16.069 -10.657 1.00 0.00 O ATOM 325 CB GLU A 23 1.272 -17.904 -7.783 1.00 0.00 C ATOM 326 CG GLU A 23 2.172 -18.841 -6.967 1.00 0.00 C ATOM 327 CD GLU A 23 2.499 -18.276 -5.592 1.00 0.00 C ATOM 328 OE1 GLU A 23 1.554 -18.208 -4.778 1.00 0.00 O ATOM 329 OE2 GLU A 23 3.681 -17.925 -5.381 1.00 0.00 O ATOM 0 H GLU A 23 2.100 -15.851 -6.577 1.00 0.00 H new ATOM 0 HA GLU A 23 2.891 -17.206 -8.992 1.00 0.00 H new ATOM 0 HB2 GLU A 23 0.512 -17.479 -7.128 1.00 0.00 H new ATOM 0 HB3 GLU A 23 0.749 -18.484 -8.544 1.00 0.00 H new ATOM 0 HG2 GLU A 23 1.679 -19.806 -6.853 1.00 0.00 H new ATOM 0 HG3 GLU A 23 3.098 -19.019 -7.514 1.00 0.00 H new ATOM 336 N HIS A 24 0.086 -15.394 -8.922 1.00 0.00 N ATOM 337 CA HIS A 24 -0.899 -14.641 -9.690 1.00 0.00 C ATOM 338 C HIS A 24 -1.523 -13.543 -8.823 1.00 0.00 C ATOM 339 O HIS A 24 -2.649 -13.110 -9.074 1.00 0.00 O ATOM 340 CB HIS A 24 -1.981 -15.617 -10.182 1.00 0.00 C ATOM 341 CG HIS A 24 -2.770 -16.241 -9.055 1.00 0.00 C ATOM 342 ND1 HIS A 24 -2.359 -17.423 -8.436 1.00 0.00 N ATOM 343 CD2 HIS A 24 -3.889 -15.777 -8.418 1.00 0.00 C ATOM 344 CE1 HIS A 24 -3.259 -17.631 -7.467 1.00 0.00 C ATOM 345 NE2 HIS A 24 -4.184 -16.661 -7.406 1.00 0.00 N ATOM 0 H HIS A 24 -0.104 -15.392 -7.920 1.00 0.00 H new ATOM 0 HA HIS A 24 -0.418 -14.162 -10.543 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -2.664 -15.088 -10.847 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -1.511 -16.406 -10.769 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -4.439 -14.881 -8.665 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -3.242 -18.486 -6.807 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -4.954 -16.593 -6.741 1.00 0.00 H new ATOM 353 N LYS A 25 -0.810 -13.093 -7.787 1.00 0.00 N ATOM 354 CA LYS A 25 -1.392 -12.215 -6.778 1.00 0.00 C ATOM 355 C LYS A 25 -1.138 -10.728 -7.040 1.00 0.00 C ATOM 356 O LYS A 25 -0.098 -10.347 -7.583 1.00 0.00 O ATOM 357 CB LYS A 25 -0.846 -12.548 -5.383 1.00 0.00 C ATOM 358 CG LYS A 25 -0.972 -14.023 -4.979 1.00 0.00 C ATOM 359 CD LYS A 25 -2.438 -14.441 -4.798 1.00 0.00 C ATOM 360 CE LYS A 25 -2.529 -15.875 -4.266 1.00 0.00 C ATOM 361 NZ LYS A 25 -3.925 -16.259 -3.988 1.00 0.00 N ATOM 0 H LYS A 25 0.171 -13.324 -7.628 1.00 0.00 H new ATOM 0 HA LYS A 25 -2.466 -12.393 -6.832 1.00 0.00 H new ATOM 0 HB2 LYS A 25 0.205 -12.263 -5.342 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -1.371 -11.938 -4.648 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -0.507 -14.649 -5.740 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -0.428 -14.193 -4.050 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -2.933 -13.759 -4.107 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -2.963 -14.367 -5.750 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -2.099 -16.563 -4.994 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -1.937 -15.965 -3.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -3.947 -16.949 -3.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -4.470 -15.415 -3.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -4.344 -16.684 -4.840 1.00 0.00 H new ATOM 375 N PRO A 26 -2.085 -9.875 -6.620 1.00 0.00 N ATOM 376 CA PRO A 26 -1.969 -8.426 -6.682 1.00 0.00 C ATOM 377 C PRO A 26 -1.122 -7.836 -5.548 1.00 0.00 C ATOM 378 O PRO A 26 -1.357 -8.105 -4.368 1.00 0.00 O ATOM 379 CB PRO A 26 -3.406 -7.907 -6.577 1.00 0.00 C ATOM 380 CG PRO A 26 -4.051 -8.977 -5.700 1.00 0.00 C ATOM 381 CD PRO A 26 -3.447 -10.252 -6.254 1.00 0.00 C ATOM 0 HA PRO A 26 -1.465 -8.131 -7.603 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -3.453 -6.919 -6.120 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -3.887 -7.831 -7.552 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -3.812 -8.838 -4.646 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -5.138 -8.971 -5.784 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -3.453 -11.050 -5.512 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -4.005 -10.615 -7.117 1.00 0.00 H new ATOM 389 N ILE A 27 -0.161 -6.985 -5.915 1.00 0.00 N ATOM 390 CA ILE A 27 0.609 -6.167 -4.996 1.00 0.00 C ATOM 391 C ILE A 27 0.200 -4.731 -5.313 1.00 0.00 C ATOM 392 O ILE A 27 0.705 -4.134 -6.265 1.00 0.00 O ATOM 393 CB ILE A 27 2.124 -6.414 -5.142 1.00 0.00 C ATOM 394 CG1 ILE A 27 2.484 -7.887 -4.863 1.00 0.00 C ATOM 395 CG2 ILE A 27 2.891 -5.510 -4.166 1.00 0.00 C ATOM 396 CD1 ILE A 27 2.636 -8.695 -6.152 1.00 0.00 C ATOM 0 H ILE A 27 0.105 -6.848 -6.890 1.00 0.00 H new ATOM 0 HA ILE A 27 0.404 -6.409 -3.953 1.00 0.00 H new ATOM 0 HB ILE A 27 2.405 -6.181 -6.169 1.00 0.00 H new ATOM 0 HG12 ILE A 27 3.414 -7.932 -4.296 1.00 0.00 H new ATOM 0 HG13 ILE A 27 1.710 -8.338 -4.242 1.00 0.00 H new ATOM 0 HG21 ILE A 27 3.961 -5.687 -4.271 1.00 0.00 H new ATOM 0 HG22 ILE A 27 2.672 -4.466 -4.389 1.00 0.00 H new ATOM 0 HG23 ILE A 27 2.585 -5.735 -3.144 1.00 0.00 H new ATOM 0 HD11 ILE A 27 2.890 -9.726 -5.907 1.00 0.00 H new ATOM 0 HD12 ILE A 27 1.698 -8.674 -6.707 1.00 0.00 H new ATOM 0 HD13 ILE A 27 3.429 -8.261 -6.762 1.00 0.00 H new ATOM 408 N VAL A 28 -0.761 -4.192 -4.557 1.00 0.00 N ATOM 409 CA VAL A 28 -1.221 -2.832 -4.762 1.00 0.00 C ATOM 410 C VAL A 28 -0.344 -1.944 -3.890 1.00 0.00 C ATOM 411 O VAL A 28 -0.133 -2.231 -2.709 1.00 0.00 O ATOM 412 CB VAL A 28 -2.728 -2.672 -4.474 1.00 0.00 C ATOM 413 CG1 VAL A 28 -3.171 -3.117 -3.077 1.00 0.00 C ATOM 414 CG2 VAL A 28 -3.162 -1.240 -4.810 1.00 0.00 C ATOM 0 H VAL A 28 -1.231 -4.685 -3.798 1.00 0.00 H new ATOM 0 HA VAL A 28 -1.124 -2.541 -5.808 1.00 0.00 H new ATOM 0 HB VAL A 28 -3.251 -3.369 -5.128 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -4.245 -2.966 -2.971 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -2.938 -4.173 -2.941 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -2.646 -2.529 -2.324 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -4.227 -1.125 -4.607 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -2.598 -0.536 -4.198 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -2.970 -1.039 -5.864 1.00 0.00 H new ATOM 424 N VAL A 29 0.198 -0.884 -4.484 1.00 0.00 N ATOM 425 CA VAL A 29 1.044 0.053 -3.771 1.00 0.00 C ATOM 426 C VAL A 29 0.424 1.442 -3.836 1.00 0.00 C ATOM 427 O VAL A 29 -0.006 1.890 -4.899 1.00 0.00 O ATOM 428 CB VAL A 29 2.482 0.011 -4.308 1.00 0.00 C ATOM 429 CG1 VAL A 29 2.561 0.246 -5.809 1.00 0.00 C ATOM 430 CG2 VAL A 29 3.358 1.048 -3.599 1.00 0.00 C ATOM 0 H VAL A 29 0.061 -0.656 -5.469 1.00 0.00 H new ATOM 0 HA VAL A 29 1.108 -0.231 -2.721 1.00 0.00 H new ATOM 0 HB VAL A 29 2.848 -0.995 -4.104 1.00 0.00 H new ATOM 0 HG11 VAL A 29 3.602 0.205 -6.129 1.00 0.00 H new ATOM 0 HG12 VAL A 29 1.991 -0.524 -6.328 1.00 0.00 H new ATOM 0 HG13 VAL A 29 2.147 1.226 -6.046 1.00 0.00 H new ATOM 0 HG21 VAL A 29 4.372 1.000 -3.996 1.00 0.00 H new ATOM 0 HG22 VAL A 29 2.950 2.045 -3.766 1.00 0.00 H new ATOM 0 HG23 VAL A 29 3.376 0.838 -2.529 1.00 0.00 H new ATOM 440 N ASP A 30 0.383 2.090 -2.671 1.00 0.00 N ATOM 441 CA ASP A 30 -0.103 3.437 -2.449 1.00 0.00 C ATOM 442 C ASP A 30 1.126 4.318 -2.263 1.00 0.00 C ATOM 443 O ASP A 30 1.740 4.300 -1.196 1.00 0.00 O ATOM 444 CB ASP A 30 -1.005 3.431 -1.208 1.00 0.00 C ATOM 445 CG ASP A 30 -1.424 4.811 -0.710 1.00 0.00 C ATOM 446 OD1 ASP A 30 -0.985 5.814 -1.309 1.00 0.00 O ATOM 447 OD2 ASP A 30 -2.194 4.839 0.275 1.00 0.00 O ATOM 0 H ASP A 30 0.710 1.654 -1.809 1.00 0.00 H new ATOM 0 HA ASP A 30 -0.696 3.817 -3.281 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -1.902 2.854 -1.432 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -0.486 2.912 -0.402 1.00 0.00 H new ATOM 452 N PHE A 31 1.495 5.055 -3.312 1.00 0.00 N ATOM 453 CA PHE A 31 2.609 5.981 -3.305 1.00 0.00 C ATOM 454 C PHE A 31 2.050 7.378 -3.049 1.00 0.00 C ATOM 455 O PHE A 31 1.626 8.045 -3.990 1.00 0.00 O ATOM 456 CB PHE A 31 3.317 5.942 -4.660 1.00 0.00 C ATOM 457 CG PHE A 31 4.086 4.679 -4.971 1.00 0.00 C ATOM 458 CD1 PHE A 31 5.407 4.548 -4.501 1.00 0.00 C ATOM 459 CD2 PHE A 31 3.612 3.809 -5.970 1.00 0.00 C ATOM 460 CE1 PHE A 31 6.279 3.622 -5.099 1.00 0.00 C ATOM 461 CE2 PHE A 31 4.484 2.883 -6.565 1.00 0.00 C ATOM 462 CZ PHE A 31 5.830 2.825 -6.166 1.00 0.00 C ATOM 0 H PHE A 31 1.010 5.017 -4.208 1.00 0.00 H new ATOM 0 HA PHE A 31 3.328 5.713 -2.531 1.00 0.00 H new ATOM 0 HB2 PHE A 31 2.572 6.091 -5.441 1.00 0.00 H new ATOM 0 HB3 PHE A 31 4.006 6.785 -4.712 1.00 0.00 H new ATOM 0 HD1 PHE A 31 5.750 5.160 -3.680 1.00 0.00 H new ATOM 0 HD2 PHE A 31 2.578 3.853 -6.279 1.00 0.00 H new ATOM 0 HE1 PHE A 31 7.292 3.523 -4.739 1.00 0.00 H new ATOM 0 HE2 PHE A 31 4.119 2.214 -7.331 1.00 0.00 H new ATOM 0 HZ PHE A 31 6.518 2.169 -6.678 1.00 0.00 H new ATOM 472 N THR A 32 2.068 7.821 -1.793 1.00 0.00 N ATOM 473 CA THR A 32 1.590 9.132 -1.364 1.00 0.00 C ATOM 474 C THR A 32 2.749 9.848 -0.669 1.00 0.00 C ATOM 475 O THR A 32 3.742 9.211 -0.333 1.00 0.00 O ATOM 476 CB THR A 32 0.356 8.923 -0.467 1.00 0.00 C ATOM 477 OG1 THR A 32 -0.697 8.436 -1.266 1.00 0.00 O ATOM 478 CG2 THR A 32 -0.167 10.199 0.190 1.00 0.00 C ATOM 0 H THR A 32 2.428 7.258 -1.022 1.00 0.00 H new ATOM 0 HA THR A 32 1.273 9.764 -2.194 1.00 0.00 H new ATOM 0 HB THR A 32 0.672 8.239 0.320 1.00 0.00 H new ATOM 0 HG1 THR A 32 -0.579 7.474 -1.412 1.00 0.00 H new ATOM 0 HG21 THR A 32 -1.036 9.962 0.804 1.00 0.00 H new ATOM 0 HG22 THR A 32 0.613 10.631 0.817 1.00 0.00 H new ATOM 0 HG23 THR A 32 -0.451 10.915 -0.581 1.00 0.00 H new ATOM 486 N ALA A 33 2.662 11.170 -0.506 1.00 0.00 N ATOM 487 CA ALA A 33 3.686 11.984 0.139 1.00 0.00 C ATOM 488 C ALA A 33 3.154 12.561 1.454 1.00 0.00 C ATOM 489 O ALA A 33 1.972 12.431 1.768 1.00 0.00 O ATOM 490 CB ALA A 33 4.117 13.092 -0.825 1.00 0.00 C ATOM 0 H ALA A 33 1.860 11.712 -0.826 1.00 0.00 H new ATOM 0 HA ALA A 33 4.554 11.371 0.380 1.00 0.00 H new ATOM 0 HB1 ALA A 33 4.883 13.707 -0.353 1.00 0.00 H new ATOM 0 HB2 ALA A 33 4.519 12.647 -1.735 1.00 0.00 H new ATOM 0 HB3 ALA A 33 3.256 13.712 -1.075 1.00 0.00 H new ATOM 496 N THR A 34 4.027 13.199 2.231 1.00 0.00 N ATOM 497 CA THR A 34 3.680 13.804 3.508 1.00 0.00 C ATOM 498 C THR A 34 3.087 15.194 3.267 1.00 0.00 C ATOM 499 O THR A 34 1.928 15.465 3.575 1.00 0.00 O ATOM 500 CB THR A 34 4.941 13.888 4.385 1.00 0.00 C ATOM 501 OG1 THR A 34 5.978 14.577 3.710 1.00 0.00 O ATOM 502 CG2 THR A 34 5.442 12.490 4.760 1.00 0.00 C ATOM 0 H THR A 34 5.010 13.310 1.984 1.00 0.00 H new ATOM 0 HA THR A 34 2.936 13.197 4.024 1.00 0.00 H new ATOM 0 HB THR A 34 4.670 14.431 5.291 1.00 0.00 H new ATOM 0 HG1 THR A 34 6.454 13.956 3.120 1.00 0.00 H new ATOM 0 HG21 THR A 34 6.334 12.577 5.380 1.00 0.00 H new ATOM 0 HG22 THR A 34 4.666 11.962 5.314 1.00 0.00 H new ATOM 0 HG23 THR A 34 5.683 11.935 3.854 1.00 0.00 H new ATOM 510 N TRP A 35 3.910 16.071 2.692 1.00 0.00 N ATOM 511 CA TRP A 35 3.624 17.467 2.394 1.00 0.00 C ATOM 512 C TRP A 35 2.270 17.687 1.703 1.00 0.00 C ATOM 513 O TRP A 35 1.685 18.755 1.859 1.00 0.00 O ATOM 514 CB TRP A 35 4.789 18.027 1.568 1.00 0.00 C ATOM 515 CG TRP A 35 5.148 17.263 0.329 1.00 0.00 C ATOM 516 CD1 TRP A 35 6.127 16.334 0.223 1.00 0.00 C ATOM 517 CD2 TRP A 35 4.531 17.340 -0.991 1.00 0.00 C ATOM 518 NE1 TRP A 35 6.159 15.835 -1.059 1.00 0.00 N ATOM 519 CE2 TRP A 35 5.192 16.415 -1.851 1.00 0.00 C ATOM 520 CE3 TRP A 35 3.473 18.091 -1.546 1.00 0.00 C ATOM 521 CZ2 TRP A 35 4.817 16.238 -3.190 1.00 0.00 C ATOM 522 CZ3 TRP A 35 3.088 17.922 -2.889 1.00 0.00 C ATOM 523 CH2 TRP A 35 3.757 16.999 -3.711 1.00 0.00 C ATOM 0 H TRP A 35 4.852 15.805 2.406 1.00 0.00 H new ATOM 0 HA TRP A 35 3.535 18.009 3.336 1.00 0.00 H new ATOM 0 HB2 TRP A 35 4.545 19.050 1.281 1.00 0.00 H new ATOM 0 HB3 TRP A 35 5.670 18.076 2.208 1.00 0.00 H new ATOM 0 HD1 TRP A 35 6.784 16.030 1.024 1.00 0.00 H new ATOM 0 HE1 TRP A 35 6.816 15.125 -1.382 1.00 0.00 H new ATOM 0 HE3 TRP A 35 2.950 18.807 -0.930 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 5.336 15.525 -3.814 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 2.273 18.506 -3.291 1.00 0.00 H new ATOM 0 HH2 TRP A 35 3.457 16.875 -4.741 1.00 0.00 H new ATOM 534 N CYS A 36 1.736 16.700 0.971 1.00 0.00 N ATOM 535 CA CYS A 36 0.428 16.824 0.327 1.00 0.00 C ATOM 536 C CYS A 36 -0.741 16.665 1.319 1.00 0.00 C ATOM 537 O CYS A 36 -1.887 16.578 0.878 1.00 0.00 O ATOM 538 CB CYS A 36 0.312 15.853 -0.859 1.00 0.00 C ATOM 539 SG CYS A 36 0.535 14.084 -0.552 1.00 0.00 S ATOM 0 H CYS A 36 2.195 15.803 0.812 1.00 0.00 H new ATOM 0 HA CYS A 36 0.354 17.840 -0.060 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -0.673 15.990 -1.305 1.00 0.00 H new ATOM 0 HB3 CYS A 36 1.045 16.155 -1.607 1.00 0.00 H new ATOM 544 N GLY A 37 -0.461 16.642 2.633 1.00 0.00 N ATOM 545 CA GLY A 37 -1.389 16.616 3.765 1.00 0.00 C ATOM 546 C GLY A 37 -2.730 15.946 3.477 1.00 0.00 C ATOM 547 O GLY A 37 -2.832 14.750 3.723 1.00 0.00 O ATOM 0 H GLY A 37 0.507 16.641 2.953 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -0.911 16.098 4.597 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -1.573 17.640 4.090 1.00 0.00 H new ATOM 551 N PRO A 38 -3.765 16.672 3.009 1.00 0.00 N ATOM 552 CA PRO A 38 -5.067 16.110 2.658 1.00 0.00 C ATOM 553 C PRO A 38 -5.000 14.754 1.950 1.00 0.00 C ATOM 554 O PRO A 38 -5.822 13.880 2.215 1.00 0.00 O ATOM 555 CB PRO A 38 -5.733 17.176 1.787 1.00 0.00 C ATOM 556 CG PRO A 38 -5.218 18.469 2.417 1.00 0.00 C ATOM 557 CD PRO A 38 -3.782 18.117 2.815 1.00 0.00 C ATOM 0 HA PRO A 38 -5.636 15.886 3.560 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -5.442 17.088 0.740 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -6.820 17.110 1.822 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -5.248 19.300 1.712 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -5.815 18.762 3.281 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -3.077 18.415 2.039 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -3.491 18.637 3.727 1.00 0.00 H new ATOM 565 N CYS A 39 -4.011 14.565 1.073 1.00 0.00 N ATOM 566 CA CYS A 39 -3.773 13.306 0.366 1.00 0.00 C ATOM 567 C CYS A 39 -3.790 12.100 1.318 1.00 0.00 C ATOM 568 O CYS A 39 -4.273 11.026 0.957 1.00 0.00 O ATOM 569 CB CYS A 39 -2.426 13.385 -0.357 1.00 0.00 C ATOM 570 SG CYS A 39 -0.988 13.501 0.734 1.00 0.00 S ATOM 0 H CYS A 39 -3.342 15.296 0.831 1.00 0.00 H new ATOM 0 HA CYS A 39 -4.579 13.161 -0.353 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -2.316 12.503 -0.988 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -2.434 14.252 -1.018 1.00 0.00 H new ATOM 575 N LYS A 40 -3.301 12.276 2.550 1.00 0.00 N ATOM 576 CA LYS A 40 -3.269 11.247 3.575 1.00 0.00 C ATOM 577 C LYS A 40 -4.644 10.608 3.796 1.00 0.00 C ATOM 578 O LYS A 40 -4.705 9.438 4.162 1.00 0.00 O ATOM 579 CB LYS A 40 -2.756 11.838 4.896 1.00 0.00 C ATOM 580 CG LYS A 40 -1.258 12.172 4.871 1.00 0.00 C ATOM 581 CD LYS A 40 -0.811 12.474 6.308 1.00 0.00 C ATOM 582 CE LYS A 40 0.663 12.885 6.396 1.00 0.00 C ATOM 583 NZ LYS A 40 0.881 14.244 5.875 1.00 0.00 N ATOM 0 H LYS A 40 -2.908 13.164 2.862 1.00 0.00 H new ATOM 0 HA LYS A 40 -2.592 10.465 3.229 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -3.319 12.743 5.124 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -2.950 11.130 5.702 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -0.689 11.337 4.463 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -1.070 13.030 4.226 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -1.431 13.272 6.717 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -0.976 11.593 6.928 1.00 0.00 H new ATOM 0 HE2 LYS A 40 0.993 12.836 7.434 1.00 0.00 H new ATOM 0 HE3 LYS A 40 1.272 12.178 5.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 1.638 14.706 6.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 1.155 14.192 4.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 0.004 14.795 5.966 1.00 0.00 H new ATOM 597 N MET A 41 -5.745 11.330 3.555 1.00 0.00 N ATOM 598 CA MET A 41 -7.095 10.808 3.751 1.00 0.00 C ATOM 599 C MET A 41 -7.365 9.574 2.886 1.00 0.00 C ATOM 600 O MET A 41 -8.271 8.800 3.191 1.00 0.00 O ATOM 601 CB MET A 41 -8.127 11.907 3.463 1.00 0.00 C ATOM 602 CG MET A 41 -8.056 13.060 4.476 1.00 0.00 C ATOM 603 SD MET A 41 -8.306 12.637 6.222 1.00 0.00 S ATOM 604 CE MET A 41 -9.950 11.889 6.157 1.00 0.00 C ATOM 0 H MET A 41 -5.721 12.293 3.219 1.00 0.00 H new ATOM 0 HA MET A 41 -7.184 10.494 4.791 1.00 0.00 H new ATOM 0 HB2 MET A 41 -7.965 12.299 2.459 1.00 0.00 H new ATOM 0 HB3 MET A 41 -9.127 11.475 3.479 1.00 0.00 H new ATOM 0 HG2 MET A 41 -7.081 13.537 4.379 1.00 0.00 H new ATOM 0 HG3 MET A 41 -8.803 13.803 4.197 1.00 0.00 H new ATOM 0 HE1 MET A 41 -10.314 11.722 7.171 1.00 0.00 H new ATOM 0 HE2 MET A 41 -10.633 12.557 5.632 1.00 0.00 H new ATOM 0 HE3 MET A 41 -9.896 10.937 5.629 1.00 0.00 H new ATOM 614 N ILE A 42 -6.589 9.360 1.822 1.00 0.00 N ATOM 615 CA ILE A 42 -6.747 8.168 1.005 1.00 0.00 C ATOM 616 C ILE A 42 -6.235 6.936 1.771 1.00 0.00 C ATOM 617 O ILE A 42 -6.723 5.823 1.577 1.00 0.00 O ATOM 618 CB ILE A 42 -5.971 8.340 -0.306 1.00 0.00 C ATOM 619 CG1 ILE A 42 -6.378 9.604 -1.084 1.00 0.00 C ATOM 620 CG2 ILE A 42 -6.240 7.100 -1.168 1.00 0.00 C ATOM 621 CD1 ILE A 42 -5.272 9.997 -2.068 1.00 0.00 C ATOM 0 H ILE A 42 -5.852 9.994 1.512 1.00 0.00 H new ATOM 0 HA ILE A 42 -7.803 8.022 0.777 1.00 0.00 H new ATOM 0 HB ILE A 42 -4.913 8.451 -0.069 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -7.308 9.424 -1.623 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -6.565 10.423 -0.390 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -5.702 7.189 -2.112 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -5.901 6.209 -0.639 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -7.309 7.020 -1.366 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -5.571 10.892 -2.613 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -4.351 10.196 -1.520 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -5.106 9.182 -2.773 1.00 0.00 H new ATOM 633 N ALA A 43 -5.241 7.128 2.643 1.00 0.00 N ATOM 634 CA ALA A 43 -4.621 6.051 3.400 1.00 0.00 C ATOM 635 C ALA A 43 -5.651 5.183 4.143 1.00 0.00 C ATOM 636 O ALA A 43 -5.668 3.988 3.873 1.00 0.00 O ATOM 637 CB ALA A 43 -3.544 6.599 4.343 1.00 0.00 C ATOM 0 H ALA A 43 -4.844 8.047 2.841 1.00 0.00 H new ATOM 0 HA ALA A 43 -4.134 5.390 2.683 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -3.094 5.776 4.899 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -2.775 7.107 3.761 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -3.996 7.304 5.041 1.00 0.00 H new ATOM 643 N PRO A 44 -6.513 5.693 5.047 1.00 0.00 N ATOM 644 CA PRO A 44 -7.496 4.864 5.750 1.00 0.00 C ATOM 645 C PRO A 44 -8.449 4.146 4.790 1.00 0.00 C ATOM 646 O PRO A 44 -8.837 3.000 5.021 1.00 0.00 O ATOM 647 CB PRO A 44 -8.253 5.807 6.693 1.00 0.00 C ATOM 648 CG PRO A 44 -8.055 7.180 6.056 1.00 0.00 C ATOM 649 CD PRO A 44 -6.638 7.068 5.498 1.00 0.00 C ATOM 0 HA PRO A 44 -6.997 4.067 6.301 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -9.309 5.544 6.761 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -7.850 5.772 7.705 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -8.788 7.376 5.273 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -8.144 7.985 6.785 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -6.482 7.767 4.677 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -5.895 7.301 6.261 1.00 0.00 H new ATOM 657 N LEU A 45 -8.838 4.813 3.705 1.00 0.00 N ATOM 658 CA LEU A 45 -9.702 4.215 2.694 1.00 0.00 C ATOM 659 C LEU A 45 -9.021 2.967 2.132 1.00 0.00 C ATOM 660 O LEU A 45 -9.574 1.868 2.150 1.00 0.00 O ATOM 661 CB LEU A 45 -9.982 5.240 1.588 1.00 0.00 C ATOM 662 CG LEU A 45 -11.166 6.156 1.942 1.00 0.00 C ATOM 663 CD1 LEU A 45 -11.117 7.424 1.085 1.00 0.00 C ATOM 664 CD2 LEU A 45 -12.509 5.449 1.713 1.00 0.00 C ATOM 0 H LEU A 45 -8.565 5.775 3.504 1.00 0.00 H new ATOM 0 HA LEU A 45 -10.655 3.923 3.135 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -9.092 5.846 1.421 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -10.193 4.718 0.654 1.00 0.00 H new ATOM 0 HG LEU A 45 -11.084 6.412 2.998 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -11.958 8.069 1.340 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -10.183 7.954 1.273 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -11.175 7.153 0.031 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -13.324 6.124 1.973 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -12.595 5.162 0.665 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -12.562 4.558 2.338 1.00 0.00 H new ATOM 676 N PHE A 46 -7.792 3.140 1.652 1.00 0.00 N ATOM 677 CA PHE A 46 -6.985 2.046 1.135 1.00 0.00 C ATOM 678 C PHE A 46 -6.745 1.004 2.241 1.00 0.00 C ATOM 679 O PHE A 46 -6.772 -0.199 1.986 1.00 0.00 O ATOM 680 CB PHE A 46 -5.699 2.652 0.573 1.00 0.00 C ATOM 681 CG PHE A 46 -4.669 1.664 0.055 1.00 0.00 C ATOM 682 CD1 PHE A 46 -4.938 0.887 -1.087 1.00 0.00 C ATOM 683 CD2 PHE A 46 -3.396 1.597 0.651 1.00 0.00 C ATOM 684 CE1 PHE A 46 -3.922 0.102 -1.653 1.00 0.00 C ATOM 685 CE2 PHE A 46 -2.394 0.775 0.110 1.00 0.00 C ATOM 686 CZ PHE A 46 -2.637 0.072 -1.080 1.00 0.00 C ATOM 0 H PHE A 46 -7.329 4.048 1.612 1.00 0.00 H new ATOM 0 HA PHE A 46 -7.488 1.510 0.331 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -5.964 3.329 -0.239 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -5.234 3.256 1.353 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -5.924 0.895 -1.527 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -3.187 2.184 1.533 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -4.128 -0.484 -2.536 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -1.440 0.684 0.608 1.00 0.00 H new ATOM 0 HZ PHE A 46 -1.844 -0.488 -1.553 1.00 0.00 H new ATOM 696 N GLU A 47 -6.563 1.449 3.488 1.00 0.00 N ATOM 697 CA GLU A 47 -6.370 0.587 4.646 1.00 0.00 C ATOM 698 C GLU A 47 -7.601 -0.301 4.841 1.00 0.00 C ATOM 699 O GLU A 47 -7.470 -1.465 5.211 1.00 0.00 O ATOM 700 CB GLU A 47 -6.103 1.429 5.904 1.00 0.00 C ATOM 701 CG GLU A 47 -5.432 0.617 7.021 1.00 0.00 C ATOM 702 CD GLU A 47 -4.022 0.171 6.643 1.00 0.00 C ATOM 703 OE1 GLU A 47 -3.152 1.063 6.549 1.00 0.00 O ATOM 704 OE2 GLU A 47 -3.845 -1.051 6.450 1.00 0.00 O ATOM 0 H GLU A 47 -6.546 2.442 3.720 1.00 0.00 H new ATOM 0 HA GLU A 47 -5.502 -0.049 4.475 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -5.468 2.276 5.643 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -7.045 1.837 6.271 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -5.390 1.218 7.929 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -6.040 -0.259 7.246 1.00 0.00 H new ATOM 711 N THR A 48 -8.799 0.231 4.594 1.00 0.00 N ATOM 712 CA THR A 48 -10.024 -0.551 4.700 1.00 0.00 C ATOM 713 C THR A 48 -9.919 -1.732 3.726 1.00 0.00 C ATOM 714 O THR A 48 -10.048 -2.887 4.135 1.00 0.00 O ATOM 715 CB THR A 48 -11.249 0.336 4.429 1.00 0.00 C ATOM 716 OG1 THR A 48 -11.203 1.494 5.243 1.00 0.00 O ATOM 717 CG2 THR A 48 -12.544 -0.415 4.750 1.00 0.00 C ATOM 0 H THR A 48 -8.943 1.203 4.319 1.00 0.00 H new ATOM 0 HA THR A 48 -10.152 -0.944 5.709 1.00 0.00 H new ATOM 0 HB THR A 48 -11.231 0.611 3.374 1.00 0.00 H new ATOM 0 HG1 THR A 48 -10.428 2.039 4.993 1.00 0.00 H new ATOM 0 HG21 THR A 48 -13.399 0.232 4.551 1.00 0.00 H new ATOM 0 HG22 THR A 48 -12.611 -1.307 4.127 1.00 0.00 H new ATOM 0 HG23 THR A 48 -12.546 -0.705 5.801 1.00 0.00 H new ATOM 725 N LEU A 49 -9.612 -1.451 2.452 1.00 0.00 N ATOM 726 CA LEU A 49 -9.413 -2.507 1.462 1.00 0.00 C ATOM 727 C LEU A 49 -8.319 -3.457 1.948 1.00 0.00 C ATOM 728 O LEU A 49 -8.453 -4.667 1.808 1.00 0.00 O ATOM 729 CB LEU A 49 -9.019 -1.936 0.094 1.00 0.00 C ATOM 730 CG LEU A 49 -10.131 -1.130 -0.589 1.00 0.00 C ATOM 731 CD1 LEU A 49 -9.504 -0.251 -1.678 1.00 0.00 C ATOM 732 CD2 LEU A 49 -11.194 -2.047 -1.205 1.00 0.00 C ATOM 0 H LEU A 49 -9.498 -0.505 2.089 1.00 0.00 H new ATOM 0 HA LEU A 49 -10.356 -3.041 1.345 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -8.144 -1.297 0.217 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -8.725 -2.757 -0.560 1.00 0.00 H new ATOM 0 HG LEU A 49 -10.626 -0.512 0.160 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -10.284 0.328 -2.172 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -8.780 0.427 -1.226 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -9.002 -0.882 -2.411 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -11.966 -1.441 -1.680 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -10.730 -2.693 -1.950 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -11.643 -2.660 -0.423 1.00 0.00 H new ATOM 744 N SER A 50 -7.246 -2.914 2.527 1.00 0.00 N ATOM 745 CA SER A 50 -6.159 -3.727 3.051 1.00 0.00 C ATOM 746 C SER A 50 -6.694 -4.734 4.070 1.00 0.00 C ATOM 747 O SER A 50 -6.409 -5.927 3.985 1.00 0.00 O ATOM 748 CB SER A 50 -5.067 -2.849 3.671 1.00 0.00 C ATOM 749 OG SER A 50 -4.663 -1.780 2.838 1.00 0.00 O ATOM 0 H SER A 50 -7.111 -1.910 2.643 1.00 0.00 H new ATOM 0 HA SER A 50 -5.712 -4.278 2.224 1.00 0.00 H new ATOM 0 HB2 SER A 50 -5.429 -2.446 4.617 1.00 0.00 H new ATOM 0 HB3 SER A 50 -4.200 -3.469 3.900 1.00 0.00 H new ATOM 0 HG SER A 50 -4.281 -2.137 2.009 1.00 0.00 H new ATOM 755 N ASN A 51 -7.482 -4.253 5.034 1.00 0.00 N ATOM 756 CA ASN A 51 -8.074 -5.089 6.068 1.00 0.00 C ATOM 757 C ASN A 51 -8.983 -6.139 5.429 1.00 0.00 C ATOM 758 O ASN A 51 -8.998 -7.280 5.883 1.00 0.00 O ATOM 759 CB ASN A 51 -8.864 -4.218 7.055 1.00 0.00 C ATOM 760 CG ASN A 51 -9.157 -4.899 8.397 1.00 0.00 C ATOM 761 OD1 ASN A 51 -9.177 -4.231 9.425 1.00 0.00 O ATOM 762 ND2 ASN A 51 -9.383 -6.210 8.443 1.00 0.00 N ATOM 0 H ASN A 51 -7.726 -3.266 5.115 1.00 0.00 H new ATOM 0 HA ASN A 51 -7.283 -5.601 6.615 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -8.306 -3.300 7.240 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -9.808 -3.929 6.593 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -9.574 -6.664 9.336 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -9.365 -6.761 7.585 1.00 0.00 H new ATOM 769 N ASP A 52 -9.764 -5.750 4.418 1.00 0.00 N ATOM 770 CA ASP A 52 -10.674 -6.668 3.741 1.00 0.00 C ATOM 771 C ASP A 52 -9.873 -7.776 3.047 1.00 0.00 C ATOM 772 O ASP A 52 -9.979 -8.954 3.381 1.00 0.00 O ATOM 773 CB ASP A 52 -11.535 -5.910 2.712 1.00 0.00 C ATOM 774 CG ASP A 52 -12.405 -4.810 3.316 1.00 0.00 C ATOM 775 OD1 ASP A 52 -12.902 -5.019 4.444 1.00 0.00 O ATOM 776 OD2 ASP A 52 -12.572 -3.781 2.624 1.00 0.00 O ATOM 0 H ASP A 52 -9.782 -4.799 4.051 1.00 0.00 H new ATOM 0 HA ASP A 52 -11.336 -7.117 4.481 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -10.880 -5.469 1.961 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -12.177 -6.624 2.196 1.00 0.00 H new ATOM 781 N TYR A 53 -9.052 -7.391 2.073 1.00 0.00 N ATOM 782 CA TYR A 53 -8.252 -8.281 1.251 1.00 0.00 C ATOM 783 C TYR A 53 -6.946 -8.624 1.971 1.00 0.00 C ATOM 784 O TYR A 53 -5.855 -8.410 1.447 1.00 0.00 O ATOM 785 CB TYR A 53 -8.015 -7.575 -0.085 1.00 0.00 C ATOM 786 CG TYR A 53 -9.248 -7.366 -0.935 1.00 0.00 C ATOM 787 CD1 TYR A 53 -9.654 -8.374 -1.827 1.00 0.00 C ATOM 788 CD2 TYR A 53 -9.923 -6.131 -0.925 1.00 0.00 C ATOM 789 CE1 TYR A 53 -10.742 -8.158 -2.687 1.00 0.00 C ATOM 790 CE2 TYR A 53 -11.018 -5.921 -1.777 1.00 0.00 C ATOM 791 CZ TYR A 53 -11.442 -6.942 -2.642 1.00 0.00 C ATOM 792 OH TYR A 53 -12.516 -6.747 -3.458 1.00 0.00 O ATOM 0 H TYR A 53 -8.924 -6.409 1.829 1.00 0.00 H new ATOM 0 HA TYR A 53 -8.761 -9.228 1.069 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -7.561 -6.604 0.112 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -7.292 -8.154 -0.660 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -9.128 -9.317 -1.851 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -9.598 -5.344 -0.261 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -11.041 -8.927 -3.383 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -11.535 -4.973 -1.767 1.00 0.00 H new ATOM 0 HH TYR A 53 -12.888 -5.854 -3.302 1.00 0.00 H new ATOM 802 N ALA A 54 -7.044 -9.182 3.174 1.00 0.00 N ATOM 803 CA ALA A 54 -5.861 -9.503 3.957 1.00 0.00 C ATOM 804 C ALA A 54 -5.109 -10.725 3.405 1.00 0.00 C ATOM 805 O ALA A 54 -5.687 -11.612 2.776 1.00 0.00 O ATOM 806 CB ALA A 54 -6.283 -9.754 5.406 1.00 0.00 C ATOM 0 H ALA A 54 -7.928 -9.420 3.624 1.00 0.00 H new ATOM 0 HA ALA A 54 -5.174 -8.658 3.900 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -5.404 -9.996 6.004 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -6.759 -8.859 5.806 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -6.986 -10.586 5.441 1.00 0.00 H new ATOM 812 N GLY A 55 -3.798 -10.772 3.658 1.00 0.00 N ATOM 813 CA GLY A 55 -2.943 -11.911 3.373 1.00 0.00 C ATOM 814 C GLY A 55 -2.627 -12.126 1.895 1.00 0.00 C ATOM 815 O GLY A 55 -1.494 -11.916 1.466 1.00 0.00 O ATOM 0 H GLY A 55 -3.294 -9.992 4.079 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -2.006 -11.787 3.915 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -3.420 -12.811 3.762 1.00 0.00 H new ATOM 819 N LYS A 56 -3.605 -12.586 1.113 1.00 0.00 N ATOM 820 CA LYS A 56 -3.339 -12.990 -0.264 1.00 0.00 C ATOM 821 C LYS A 56 -3.064 -11.800 -1.190 1.00 0.00 C ATOM 822 O LYS A 56 -2.320 -11.936 -2.158 1.00 0.00 O ATOM 823 CB LYS A 56 -4.458 -13.902 -0.767 1.00 0.00 C ATOM 824 CG LYS A 56 -5.801 -13.212 -1.004 1.00 0.00 C ATOM 825 CD LYS A 56 -6.812 -14.302 -1.363 1.00 0.00 C ATOM 826 CE LYS A 56 -8.095 -13.700 -1.929 1.00 0.00 C ATOM 827 NZ LYS A 56 -9.030 -14.769 -2.319 1.00 0.00 N ATOM 0 H LYS A 56 -4.577 -12.687 1.407 1.00 0.00 H new ATOM 0 HA LYS A 56 -2.413 -13.565 -0.277 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -4.136 -14.366 -1.699 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -4.603 -14.706 -0.045 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -6.118 -12.671 -0.112 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -5.721 -12.481 -1.809 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -6.373 -14.982 -2.093 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -7.044 -14.892 -0.477 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -8.561 -13.053 -1.185 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -7.863 -13.077 -2.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -9.899 -14.347 -2.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -8.588 -15.370 -3.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -9.264 -15.346 -1.486 1.00 0.00 H new ATOM 841 N VAL A 57 -3.667 -10.642 -0.915 1.00 0.00 N ATOM 842 CA VAL A 57 -3.417 -9.409 -1.653 1.00 0.00 C ATOM 843 C VAL A 57 -2.390 -8.630 -0.829 1.00 0.00 C ATOM 844 O VAL A 57 -2.494 -8.601 0.402 1.00 0.00 O ATOM 845 CB VAL A 57 -4.739 -8.646 -1.830 1.00 0.00 C ATOM 846 CG1 VAL A 57 -4.597 -7.270 -2.496 1.00 0.00 C ATOM 847 CG2 VAL A 57 -5.781 -9.490 -2.578 1.00 0.00 C ATOM 0 H VAL A 57 -4.350 -10.536 -0.165 1.00 0.00 H new ATOM 0 HA VAL A 57 -3.028 -9.582 -2.656 1.00 0.00 H new ATOM 0 HB VAL A 57 -5.085 -8.457 -0.814 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -5.579 -6.804 -2.580 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -3.946 -6.639 -1.891 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -4.165 -7.390 -3.490 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -6.703 -8.919 -2.685 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -5.398 -9.750 -3.565 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -5.982 -10.402 -2.016 1.00 0.00 H new ATOM 857 N ILE A 58 -1.377 -8.040 -1.475 1.00 0.00 N ATOM 858 CA ILE A 58 -0.337 -7.308 -0.755 1.00 0.00 C ATOM 859 C ILE A 58 -0.651 -5.817 -0.872 1.00 0.00 C ATOM 860 O ILE A 58 -0.891 -5.330 -1.976 1.00 0.00 O ATOM 861 CB ILE A 58 1.067 -7.662 -1.291 1.00 0.00 C ATOM 862 CG1 ILE A 58 1.484 -9.139 -1.139 1.00 0.00 C ATOM 863 CG2 ILE A 58 2.135 -6.840 -0.556 1.00 0.00 C ATOM 864 CD1 ILE A 58 0.599 -10.154 -1.868 1.00 0.00 C ATOM 0 H ILE A 58 -1.259 -8.057 -2.488 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.328 -7.590 0.298 1.00 0.00 H new ATOM 0 HB ILE A 58 1.002 -7.440 -2.356 1.00 0.00 H new ATOM 0 HG12 ILE A 58 2.506 -9.249 -1.501 1.00 0.00 H new ATOM 0 HG13 ILE A 58 1.494 -9.388 -0.078 1.00 0.00 H new ATOM 0 HG21 ILE A 58 3.121 -7.097 -0.942 1.00 0.00 H new ATOM 0 HG22 ILE A 58 1.949 -5.778 -0.714 1.00 0.00 H new ATOM 0 HG23 ILE A 58 2.094 -7.060 0.511 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.981 -11.160 -1.695 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -0.422 -10.083 -1.492 1.00 0.00 H new ATOM 0 HD13 ILE A 58 0.607 -9.942 -2.937 1.00 0.00 H new ATOM 876 N PHE A 59 -0.653 -5.103 0.261 1.00 0.00 N ATOM 877 CA PHE A 59 -0.921 -3.671 0.326 1.00 0.00 C ATOM 878 C PHE A 59 0.321 -2.970 0.855 1.00 0.00 C ATOM 879 O PHE A 59 0.633 -3.064 2.043 1.00 0.00 O ATOM 880 CB PHE A 59 -2.131 -3.371 1.213 1.00 0.00 C ATOM 881 CG PHE A 59 -3.453 -3.742 0.580 1.00 0.00 C ATOM 882 CD1 PHE A 59 -3.850 -5.086 0.514 1.00 0.00 C ATOM 883 CD2 PHE A 59 -4.319 -2.736 0.115 1.00 0.00 C ATOM 884 CE1 PHE A 59 -5.103 -5.414 -0.023 1.00 0.00 C ATOM 885 CE2 PHE A 59 -5.549 -3.069 -0.472 1.00 0.00 C ATOM 886 CZ PHE A 59 -5.941 -4.414 -0.548 1.00 0.00 C ATOM 0 H PHE A 59 -0.464 -5.518 1.173 1.00 0.00 H new ATOM 0 HA PHE A 59 -1.158 -3.303 -0.672 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -2.024 -3.911 2.154 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -2.139 -2.308 1.455 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -3.194 -5.864 0.875 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -4.035 -1.698 0.211 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -5.428 -6.444 -0.034 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -6.191 -2.294 -0.863 1.00 0.00 H new ATOM 0 HZ PHE A 59 -6.882 -4.680 -1.007 1.00 0.00 H new ATOM 896 N LEU A 60 1.010 -2.273 -0.048 1.00 0.00 N ATOM 897 CA LEU A 60 2.229 -1.535 0.228 1.00 0.00 C ATOM 898 C LEU A 60 1.924 -0.043 0.373 1.00 0.00 C ATOM 899 O LEU A 60 1.748 0.645 -0.631 1.00 0.00 O ATOM 900 CB LEU A 60 3.204 -1.761 -0.939 1.00 0.00 C ATOM 901 CG LEU A 60 3.817 -3.164 -1.020 1.00 0.00 C ATOM 902 CD1 LEU A 60 4.799 -3.209 -2.197 1.00 0.00 C ATOM 903 CD2 LEU A 60 4.561 -3.533 0.265 1.00 0.00 C ATOM 0 H LEU A 60 0.720 -2.208 -1.024 1.00 0.00 H new ATOM 0 HA LEU A 60 2.671 -1.884 1.161 1.00 0.00 H new ATOM 0 HB2 LEU A 60 2.680 -1.557 -1.873 1.00 0.00 H new ATOM 0 HB3 LEU A 60 4.012 -1.034 -0.861 1.00 0.00 H new ATOM 0 HG LEU A 60 3.008 -3.881 -1.159 1.00 0.00 H new ATOM 0 HD11 LEU A 60 5.241 -4.203 -2.264 1.00 0.00 H new ATOM 0 HD12 LEU A 60 4.268 -2.985 -3.122 1.00 0.00 H new ATOM 0 HD13 LEU A 60 5.586 -2.471 -2.042 1.00 0.00 H new ATOM 0 HD21 LEU A 60 4.981 -4.534 0.168 1.00 0.00 H new ATOM 0 HD22 LEU A 60 5.365 -2.818 0.438 1.00 0.00 H new ATOM 0 HD23 LEU A 60 3.868 -3.510 1.106 1.00 0.00 H new ATOM 915 N LYS A 61 1.848 0.483 1.598 1.00 0.00 N ATOM 916 CA LYS A 61 1.729 1.926 1.775 1.00 0.00 C ATOM 917 C LYS A 61 3.160 2.473 1.776 1.00 0.00 C ATOM 918 O LYS A 61 3.968 2.054 2.606 1.00 0.00 O ATOM 919 CB LYS A 61 0.943 2.263 3.049 1.00 0.00 C ATOM 920 CG LYS A 61 1.021 3.751 3.433 1.00 0.00 C ATOM 921 CD LYS A 61 0.378 4.665 2.379 1.00 0.00 C ATOM 922 CE LYS A 61 0.616 6.146 2.689 1.00 0.00 C ATOM 923 NZ LYS A 61 2.022 6.535 2.463 1.00 0.00 N ATOM 0 H LYS A 61 1.866 -0.058 2.463 1.00 0.00 H new ATOM 0 HA LYS A 61 1.159 2.393 0.972 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -0.101 1.985 2.908 1.00 0.00 H new ATOM 0 HB3 LYS A 61 1.325 1.661 3.874 1.00 0.00 H new ATOM 0 HG2 LYS A 61 0.525 3.902 4.392 1.00 0.00 H new ATOM 0 HG3 LYS A 61 2.065 4.034 3.567 1.00 0.00 H new ATOM 0 HD2 LYS A 61 0.786 4.429 1.396 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -0.694 4.471 2.334 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -0.035 6.757 2.064 1.00 0.00 H new ATOM 0 HE3 LYS A 61 0.345 6.348 3.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 2.103 7.572 2.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 2.620 6.125 3.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 2.335 6.182 1.536 1.00 0.00 H new ATOM 937 N VAL A 62 3.478 3.378 0.844 1.00 0.00 N ATOM 938 CA VAL A 62 4.818 3.919 0.659 1.00 0.00 C ATOM 939 C VAL A 62 4.782 5.449 0.665 1.00 0.00 C ATOM 940 O VAL A 62 3.854 6.066 0.133 1.00 0.00 O ATOM 941 CB VAL A 62 5.392 3.377 -0.665 1.00 0.00 C ATOM 942 CG1 VAL A 62 6.816 3.884 -0.929 1.00 0.00 C ATOM 943 CG2 VAL A 62 5.440 1.843 -0.639 1.00 0.00 C ATOM 0 H VAL A 62 2.795 3.758 0.188 1.00 0.00 H new ATOM 0 HA VAL A 62 5.462 3.607 1.481 1.00 0.00 H new ATOM 0 HB VAL A 62 4.732 3.734 -1.456 1.00 0.00 H new ATOM 0 HG11 VAL A 62 7.178 3.476 -1.872 1.00 0.00 H new ATOM 0 HG12 VAL A 62 6.810 4.973 -0.983 1.00 0.00 H new ATOM 0 HG13 VAL A 62 7.472 3.564 -0.119 1.00 0.00 H new ATOM 0 HG21 VAL A 62 5.848 1.476 -1.581 1.00 0.00 H new ATOM 0 HG22 VAL A 62 6.074 1.513 0.184 1.00 0.00 H new ATOM 0 HG23 VAL A 62 4.433 1.450 -0.502 1.00 0.00 H new ATOM 953 N ASP A 63 5.801 6.051 1.288 1.00 0.00 N ATOM 954 CA ASP A 63 6.011 7.485 1.335 1.00 0.00 C ATOM 955 C ASP A 63 6.964 7.852 0.197 1.00 0.00 C ATOM 956 O ASP A 63 8.158 7.554 0.248 1.00 0.00 O ATOM 957 CB ASP A 63 6.595 7.922 2.684 1.00 0.00 C ATOM 958 CG ASP A 63 6.911 9.417 2.721 1.00 0.00 C ATOM 959 OD1 ASP A 63 6.496 10.134 1.780 1.00 0.00 O ATOM 960 OD2 ASP A 63 7.582 9.825 3.691 1.00 0.00 O ATOM 0 H ASP A 63 6.521 5.528 1.787 1.00 0.00 H new ATOM 0 HA ASP A 63 5.057 8.000 1.221 1.00 0.00 H new ATOM 0 HB2 ASP A 63 5.888 7.682 3.478 1.00 0.00 H new ATOM 0 HB3 ASP A 63 7.504 7.355 2.885 1.00 0.00 H new ATOM 965 N VAL A 64 6.433 8.527 -0.820 1.00 0.00 N ATOM 966 CA VAL A 64 7.176 9.010 -1.977 1.00 0.00 C ATOM 967 C VAL A 64 8.382 9.844 -1.537 1.00 0.00 C ATOM 968 O VAL A 64 9.427 9.806 -2.184 1.00 0.00 O ATOM 969 CB VAL A 64 6.216 9.830 -2.857 1.00 0.00 C ATOM 970 CG1 VAL A 64 6.929 10.567 -3.997 1.00 0.00 C ATOM 971 CG2 VAL A 64 5.176 8.889 -3.471 1.00 0.00 C ATOM 0 H VAL A 64 5.441 8.759 -0.861 1.00 0.00 H new ATOM 0 HA VAL A 64 7.566 8.169 -2.551 1.00 0.00 H new ATOM 0 HB VAL A 64 5.756 10.580 -2.213 1.00 0.00 H new ATOM 0 HG11 VAL A 64 6.199 11.127 -4.581 1.00 0.00 H new ATOM 0 HG12 VAL A 64 7.665 11.255 -3.581 1.00 0.00 H new ATOM 0 HG13 VAL A 64 7.431 9.844 -4.640 1.00 0.00 H new ATOM 0 HG21 VAL A 64 4.491 9.462 -4.096 1.00 0.00 H new ATOM 0 HG22 VAL A 64 5.679 8.137 -4.079 1.00 0.00 H new ATOM 0 HG23 VAL A 64 4.616 8.397 -2.676 1.00 0.00 H new ATOM 981 N ASP A 65 8.248 10.587 -0.434 1.00 0.00 N ATOM 982 CA ASP A 65 9.319 11.439 0.062 1.00 0.00 C ATOM 983 C ASP A 65 10.492 10.603 0.585 1.00 0.00 C ATOM 984 O ASP A 65 11.609 11.110 0.656 1.00 0.00 O ATOM 985 CB ASP A 65 8.789 12.360 1.164 1.00 0.00 C ATOM 986 CG ASP A 65 7.621 13.202 0.671 1.00 0.00 C ATOM 987 OD1 ASP A 65 7.691 13.681 -0.482 1.00 0.00 O ATOM 988 OD2 ASP A 65 6.667 13.358 1.463 1.00 0.00 O ATOM 0 H ASP A 65 7.400 10.611 0.132 1.00 0.00 H new ATOM 0 HA ASP A 65 9.683 12.047 -0.766 1.00 0.00 H new ATOM 0 HB2 ASP A 65 8.473 11.762 2.019 1.00 0.00 H new ATOM 0 HB3 ASP A 65 9.590 13.013 1.510 1.00 0.00 H new ATOM 993 N ALA A 66 10.250 9.342 0.969 1.00 0.00 N ATOM 994 CA ALA A 66 11.270 8.468 1.527 1.00 0.00 C ATOM 995 C ALA A 66 11.956 7.656 0.425 1.00 0.00 C ATOM 996 O ALA A 66 13.088 7.969 0.061 1.00 0.00 O ATOM 997 CB ALA A 66 10.642 7.572 2.596 1.00 0.00 C ATOM 0 H ALA A 66 9.331 8.904 0.897 1.00 0.00 H new ATOM 0 HA ALA A 66 12.046 9.070 2.000 1.00 0.00 H new ATOM 0 HB1 ALA A 66 11.405 6.916 3.015 1.00 0.00 H new ATOM 0 HB2 ALA A 66 10.221 8.191 3.388 1.00 0.00 H new ATOM 0 HB3 ALA A 66 9.852 6.969 2.148 1.00 0.00 H new ATOM 1003 N VAL A 67 11.308 6.618 -0.127 1.00 0.00 N ATOM 1004 CA VAL A 67 11.948 5.800 -1.164 1.00 0.00 C ATOM 1005 C VAL A 67 11.833 6.489 -2.525 1.00 0.00 C ATOM 1006 O VAL A 67 11.246 5.954 -3.468 1.00 0.00 O ATOM 1007 CB VAL A 67 11.434 4.349 -1.198 1.00 0.00 C ATOM 1008 CG1 VAL A 67 12.023 3.515 -0.052 1.00 0.00 C ATOM 1009 CG2 VAL A 67 9.910 4.240 -1.220 1.00 0.00 C ATOM 0 H VAL A 67 10.361 6.331 0.122 1.00 0.00 H new ATOM 0 HA VAL A 67 13.004 5.718 -0.908 1.00 0.00 H new ATOM 0 HB VAL A 67 11.785 3.938 -2.144 1.00 0.00 H new ATOM 0 HG11 VAL A 67 11.638 2.497 -0.108 1.00 0.00 H new ATOM 0 HG12 VAL A 67 13.110 3.497 -0.136 1.00 0.00 H new ATOM 0 HG13 VAL A 67 11.740 3.958 0.903 1.00 0.00 H new ATOM 0 HG21 VAL A 67 9.621 3.189 -1.244 1.00 0.00 H new ATOM 0 HG22 VAL A 67 9.499 4.710 -0.327 1.00 0.00 H new ATOM 0 HG23 VAL A 67 9.522 4.743 -2.106 1.00 0.00 H new ATOM 1019 N ALA A 68 12.468 7.659 -2.637 1.00 0.00 N ATOM 1020 CA ALA A 68 12.527 8.438 -3.864 1.00 0.00 C ATOM 1021 C ALA A 68 12.981 7.546 -5.021 1.00 0.00 C ATOM 1022 O ALA A 68 12.426 7.620 -6.111 1.00 0.00 O ATOM 1023 CB ALA A 68 13.484 9.616 -3.673 1.00 0.00 C ATOM 0 H ALA A 68 12.963 8.094 -1.859 1.00 0.00 H new ATOM 0 HA ALA A 68 11.538 8.829 -4.102 1.00 0.00 H new ATOM 0 HB1 ALA A 68 13.529 10.201 -4.592 1.00 0.00 H new ATOM 0 HB2 ALA A 68 13.127 10.247 -2.859 1.00 0.00 H new ATOM 0 HB3 ALA A 68 14.479 9.241 -3.432 1.00 0.00 H new ATOM 1029 N ALA A 69 13.965 6.676 -4.764 1.00 0.00 N ATOM 1030 CA ALA A 69 14.496 5.731 -5.738 1.00 0.00 C ATOM 1031 C ALA A 69 13.388 4.836 -6.304 1.00 0.00 C ATOM 1032 O ALA A 69 13.234 4.727 -7.519 1.00 0.00 O ATOM 1033 CB ALA A 69 15.583 4.883 -5.072 1.00 0.00 C ATOM 0 H ALA A 69 14.420 6.613 -3.853 1.00 0.00 H new ATOM 0 HA ALA A 69 14.925 6.287 -6.572 1.00 0.00 H new ATOM 0 HB1 ALA A 69 15.985 4.173 -5.795 1.00 0.00 H new ATOM 0 HB2 ALA A 69 16.384 5.532 -4.716 1.00 0.00 H new ATOM 0 HB3 ALA A 69 15.155 4.339 -4.230 1.00 0.00 H new ATOM 1039 N VAL A 70 12.613 4.185 -5.429 1.00 0.00 N ATOM 1040 CA VAL A 70 11.540 3.300 -5.865 1.00 0.00 C ATOM 1041 C VAL A 70 10.504 4.130 -6.620 1.00 0.00 C ATOM 1042 O VAL A 70 10.068 3.745 -7.700 1.00 0.00 O ATOM 1043 CB VAL A 70 10.914 2.557 -4.671 1.00 0.00 C ATOM 1044 CG1 VAL A 70 9.806 1.605 -5.140 1.00 0.00 C ATOM 1045 CG2 VAL A 70 11.959 1.705 -3.941 1.00 0.00 C ATOM 0 H VAL A 70 12.713 4.258 -4.417 1.00 0.00 H new ATOM 0 HA VAL A 70 11.940 2.535 -6.530 1.00 0.00 H new ATOM 0 HB VAL A 70 10.511 3.320 -4.005 1.00 0.00 H new ATOM 0 HG11 VAL A 70 9.379 1.091 -4.279 1.00 0.00 H new ATOM 0 HG12 VAL A 70 9.027 2.175 -5.646 1.00 0.00 H new ATOM 0 HG13 VAL A 70 10.224 0.871 -5.829 1.00 0.00 H new ATOM 0 HG21 VAL A 70 11.489 1.192 -3.102 1.00 0.00 H new ATOM 0 HG22 VAL A 70 12.374 0.969 -4.630 1.00 0.00 H new ATOM 0 HG23 VAL A 70 12.758 2.347 -3.571 1.00 0.00 H new ATOM 1055 N ALA A 71 10.126 5.274 -6.048 1.00 0.00 N ATOM 1056 CA ALA A 71 9.144 6.172 -6.640 1.00 0.00 C ATOM 1057 C ALA A 71 9.532 6.566 -8.075 1.00 0.00 C ATOM 1058 O ALA A 71 8.733 6.402 -8.999 1.00 0.00 O ATOM 1059 CB ALA A 71 8.986 7.406 -5.747 1.00 0.00 C ATOM 0 H ALA A 71 10.497 5.602 -5.156 1.00 0.00 H new ATOM 0 HA ALA A 71 8.187 5.654 -6.706 1.00 0.00 H new ATOM 0 HB1 ALA A 71 8.252 8.081 -6.186 1.00 0.00 H new ATOM 0 HB2 ALA A 71 8.649 7.098 -4.757 1.00 0.00 H new ATOM 0 HB3 ALA A 71 9.944 7.918 -5.661 1.00 0.00 H new ATOM 1065 N GLU A 72 10.746 7.081 -8.291 1.00 0.00 N ATOM 1066 CA GLU A 72 11.165 7.510 -9.618 1.00 0.00 C ATOM 1067 C GLU A 72 11.328 6.301 -10.543 1.00 0.00 C ATOM 1068 O GLU A 72 10.936 6.378 -11.704 1.00 0.00 O ATOM 1069 CB GLU A 72 12.428 8.381 -9.537 1.00 0.00 C ATOM 1070 CG GLU A 72 13.696 7.629 -9.122 1.00 0.00 C ATOM 1071 CD GLU A 72 14.852 8.588 -8.858 1.00 0.00 C ATOM 1072 OE1 GLU A 72 15.403 9.097 -9.857 1.00 0.00 O ATOM 1073 OE2 GLU A 72 15.158 8.800 -7.664 1.00 0.00 O ATOM 0 H GLU A 72 11.450 7.208 -7.564 1.00 0.00 H new ATOM 0 HA GLU A 72 10.388 8.137 -10.054 1.00 0.00 H new ATOM 0 HB2 GLU A 72 12.598 8.843 -10.509 1.00 0.00 H new ATOM 0 HB3 GLU A 72 12.251 9.189 -8.827 1.00 0.00 H new ATOM 0 HG2 GLU A 72 13.496 7.043 -8.225 1.00 0.00 H new ATOM 0 HG3 GLU A 72 13.977 6.926 -9.906 1.00 0.00 H new ATOM 1080 N ALA A 73 11.876 5.185 -10.045 1.00 0.00 N ATOM 1081 CA ALA A 73 12.037 3.979 -10.851 1.00 0.00 C ATOM 1082 C ALA A 73 10.676 3.499 -11.362 1.00 0.00 C ATOM 1083 O ALA A 73 10.526 3.180 -12.539 1.00 0.00 O ATOM 1084 CB ALA A 73 12.724 2.888 -10.025 1.00 0.00 C ATOM 0 H ALA A 73 12.214 5.097 -9.087 1.00 0.00 H new ATOM 0 HA ALA A 73 12.664 4.206 -11.713 1.00 0.00 H new ATOM 0 HB1 ALA A 73 12.841 1.991 -10.633 1.00 0.00 H new ATOM 0 HB2 ALA A 73 13.705 3.239 -9.703 1.00 0.00 H new ATOM 0 HB3 ALA A 73 12.116 2.657 -9.150 1.00 0.00 H new ATOM 1090 N ALA A 74 9.684 3.442 -10.470 1.00 0.00 N ATOM 1091 CA ALA A 74 8.324 3.046 -10.808 1.00 0.00 C ATOM 1092 C ALA A 74 7.667 4.101 -11.711 1.00 0.00 C ATOM 1093 O ALA A 74 6.861 3.758 -12.573 1.00 0.00 O ATOM 1094 CB ALA A 74 7.545 2.808 -9.512 1.00 0.00 C ATOM 0 H ALA A 74 9.809 3.673 -9.484 1.00 0.00 H new ATOM 0 HA ALA A 74 8.327 2.116 -11.376 1.00 0.00 H new ATOM 0 HB1 ALA A 74 6.524 2.511 -9.751 1.00 0.00 H new ATOM 0 HB2 ALA A 74 8.028 2.018 -8.937 1.00 0.00 H new ATOM 0 HB3 ALA A 74 7.528 3.726 -8.924 1.00 0.00 H new ATOM 1100 N GLY A 75 8.008 5.377 -11.508 1.00 0.00 N ATOM 1101 CA GLY A 75 7.551 6.500 -12.321 1.00 0.00 C ATOM 1102 C GLY A 75 6.388 7.238 -11.664 1.00 0.00 C ATOM 1103 O GLY A 75 5.376 7.516 -12.304 1.00 0.00 O ATOM 0 H GLY A 75 8.628 5.662 -10.750 1.00 0.00 H new ATOM 0 HA2 GLY A 75 8.377 7.193 -12.481 1.00 0.00 H new ATOM 0 HA3 GLY A 75 7.244 6.138 -13.302 1.00 0.00 H new ATOM 1107 N ILE A 76 6.530 7.569 -10.380 1.00 0.00 N ATOM 1108 CA ILE A 76 5.504 8.267 -9.618 1.00 0.00 C ATOM 1109 C ILE A 76 5.691 9.763 -9.852 1.00 0.00 C ATOM 1110 O ILE A 76 6.552 10.394 -9.243 1.00 0.00 O ATOM 1111 CB ILE A 76 5.601 7.875 -8.131 1.00 0.00 C ATOM 1112 CG1 ILE A 76 5.014 6.479 -7.856 1.00 0.00 C ATOM 1113 CG2 ILE A 76 4.828 8.858 -7.237 1.00 0.00 C ATOM 1114 CD1 ILE A 76 5.335 5.416 -8.903 1.00 0.00 C ATOM 0 H ILE A 76 7.368 7.357 -9.839 1.00 0.00 H new ATOM 0 HA ILE A 76 4.501 7.989 -9.943 1.00 0.00 H new ATOM 0 HB ILE A 76 6.666 7.890 -7.901 1.00 0.00 H new ATOM 0 HG12 ILE A 76 5.379 6.134 -6.889 1.00 0.00 H new ATOM 0 HG13 ILE A 76 3.931 6.569 -7.774 1.00 0.00 H new ATOM 0 HG21 ILE A 76 4.918 8.551 -6.195 1.00 0.00 H new ATOM 0 HG22 ILE A 76 5.240 9.860 -7.357 1.00 0.00 H new ATOM 0 HG23 ILE A 76 3.777 8.862 -7.524 1.00 0.00 H new ATOM 0 HD11 ILE A 76 4.875 4.471 -8.615 1.00 0.00 H new ATOM 0 HD12 ILE A 76 4.944 5.729 -9.871 1.00 0.00 H new ATOM 0 HD13 ILE A 76 6.415 5.288 -8.972 1.00 0.00 H new ATOM 1126 N THR A 77 4.897 10.318 -10.766 1.00 0.00 N ATOM 1127 CA THR A 77 4.895 11.730 -11.088 1.00 0.00 C ATOM 1128 C THR A 77 3.826 12.413 -10.232 1.00 0.00 C ATOM 1129 O THR A 77 4.126 13.072 -9.238 1.00 0.00 O ATOM 1130 CB THR A 77 4.615 11.866 -12.592 1.00 0.00 C ATOM 1131 OG1 THR A 77 3.490 11.069 -12.927 1.00 0.00 O ATOM 1132 CG2 THR A 77 5.818 11.383 -13.408 1.00 0.00 C ATOM 0 H THR A 77 4.224 9.779 -11.312 1.00 0.00 H new ATOM 0 HA THR A 77 5.851 12.208 -10.873 1.00 0.00 H new ATOM 0 HB THR A 77 4.425 12.915 -12.821 1.00 0.00 H new ATOM 0 HG1 THR A 77 2.778 11.641 -13.283 1.00 0.00 H new ATOM 0 HG21 THR A 77 5.602 11.487 -14.471 1.00 0.00 H new ATOM 0 HG22 THR A 77 6.693 11.982 -13.156 1.00 0.00 H new ATOM 0 HG23 THR A 77 6.017 10.336 -13.179 1.00 0.00 H new ATOM 1140 N ALA A 78 2.563 12.230 -10.613 1.00 0.00 N ATOM 1141 CA ALA A 78 1.420 12.828 -9.944 1.00 0.00 C ATOM 1142 C ALA A 78 1.062 12.055 -8.673 1.00 0.00 C ATOM 1143 O ALA A 78 0.062 11.335 -8.631 1.00 0.00 O ATOM 1144 CB ALA A 78 0.246 12.891 -10.926 1.00 0.00 C ATOM 0 H ALA A 78 2.306 11.650 -11.411 1.00 0.00 H new ATOM 0 HA ALA A 78 1.668 13.842 -9.630 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -0.617 13.338 -10.433 1.00 0.00 H new ATOM 0 HB2 ALA A 78 0.525 13.496 -11.789 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -0.007 11.883 -11.256 1.00 0.00 H new ATOM 1150 N MET A 79 1.885 12.188 -7.630 1.00 0.00 N ATOM 1151 CA MET A 79 1.555 11.618 -6.327 1.00 0.00 C ATOM 1152 C MET A 79 0.325 12.379 -5.790 1.00 0.00 C ATOM 1153 O MET A 79 0.236 13.590 -5.996 1.00 0.00 O ATOM 1154 CB MET A 79 2.755 11.656 -5.358 1.00 0.00 C ATOM 1155 CG MET A 79 3.173 13.045 -4.842 1.00 0.00 C ATOM 1156 SD MET A 79 3.835 14.227 -6.045 1.00 0.00 S ATOM 1157 CE MET A 79 5.433 13.471 -6.416 1.00 0.00 C ATOM 0 H MET A 79 2.777 12.682 -7.664 1.00 0.00 H new ATOM 0 HA MET A 79 1.314 10.559 -6.424 1.00 0.00 H new ATOM 0 HB2 MET A 79 2.520 11.028 -4.498 1.00 0.00 H new ATOM 0 HB3 MET A 79 3.612 11.205 -5.858 1.00 0.00 H new ATOM 0 HG2 MET A 79 2.305 13.501 -4.367 1.00 0.00 H new ATOM 0 HG3 MET A 79 3.924 12.902 -4.065 1.00 0.00 H new ATOM 0 HE1 MET A 79 5.987 14.110 -7.104 1.00 0.00 H new ATOM 0 HE2 MET A 79 6.002 13.352 -5.494 1.00 0.00 H new ATOM 0 HE3 MET A 79 5.276 12.494 -6.874 1.00 0.00 H new ATOM 1167 N PRO A 80 -0.628 11.728 -5.103 1.00 0.00 N ATOM 1168 CA PRO A 80 -0.643 10.318 -4.767 1.00 0.00 C ATOM 1169 C PRO A 80 -0.932 9.460 -6.002 1.00 0.00 C ATOM 1170 O PRO A 80 -1.821 9.768 -6.796 1.00 0.00 O ATOM 1171 CB PRO A 80 -1.722 10.167 -3.699 1.00 0.00 C ATOM 1172 CG PRO A 80 -2.715 11.268 -4.053 1.00 0.00 C ATOM 1173 CD PRO A 80 -1.808 12.388 -4.566 1.00 0.00 C ATOM 0 HA PRO A 80 0.324 9.976 -4.398 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -2.185 9.181 -3.731 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -1.317 10.297 -2.695 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -3.426 10.943 -4.813 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -3.296 11.583 -3.186 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -2.310 12.977 -5.334 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -1.541 13.074 -3.762 1.00 0.00 H new ATOM 1181 N THR A 81 -0.148 8.396 -6.161 1.00 0.00 N ATOM 1182 CA THR A 81 -0.193 7.464 -7.273 1.00 0.00 C ATOM 1183 C THR A 81 -0.428 6.061 -6.720 1.00 0.00 C ATOM 1184 O THR A 81 0.127 5.700 -5.681 1.00 0.00 O ATOM 1185 CB THR A 81 1.132 7.569 -8.039 1.00 0.00 C ATOM 1186 OG1 THR A 81 1.345 8.886 -8.512 1.00 0.00 O ATOM 1187 CG2 THR A 81 1.197 6.618 -9.236 1.00 0.00 C ATOM 0 H THR A 81 0.571 8.153 -5.480 1.00 0.00 H new ATOM 0 HA THR A 81 -1.005 7.693 -7.963 1.00 0.00 H new ATOM 0 HB THR A 81 1.908 7.291 -7.325 1.00 0.00 H new ATOM 0 HG1 THR A 81 0.540 9.423 -8.358 1.00 0.00 H new ATOM 0 HG21 THR A 81 2.156 6.734 -9.741 1.00 0.00 H new ATOM 0 HG22 THR A 81 1.092 5.590 -8.890 1.00 0.00 H new ATOM 0 HG23 THR A 81 0.390 6.852 -9.931 1.00 0.00 H new ATOM 1195 N PHE A 82 -1.243 5.270 -7.418 1.00 0.00 N ATOM 1196 CA PHE A 82 -1.607 3.918 -7.036 1.00 0.00 C ATOM 1197 C PHE A 82 -1.256 2.980 -8.178 1.00 0.00 C ATOM 1198 O PHE A 82 -1.814 3.118 -9.262 1.00 0.00 O ATOM 1199 CB PHE A 82 -3.105 3.852 -6.746 1.00 0.00 C ATOM 1200 CG PHE A 82 -3.489 4.606 -5.497 1.00 0.00 C ATOM 1201 CD1 PHE A 82 -3.714 5.995 -5.554 1.00 0.00 C ATOM 1202 CD2 PHE A 82 -3.440 3.951 -4.254 1.00 0.00 C ATOM 1203 CE1 PHE A 82 -3.830 6.734 -4.367 1.00 0.00 C ATOM 1204 CE2 PHE A 82 -3.606 4.687 -3.072 1.00 0.00 C ATOM 1205 CZ PHE A 82 -3.737 6.082 -3.126 1.00 0.00 C ATOM 0 H PHE A 82 -1.678 5.568 -8.291 1.00 0.00 H new ATOM 0 HA PHE A 82 -1.064 3.623 -6.138 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -3.654 4.260 -7.595 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -3.406 2.809 -6.643 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -3.797 6.491 -6.510 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -3.275 2.885 -4.210 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -3.990 7.801 -4.407 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -3.633 4.179 -2.119 1.00 0.00 H new ATOM 0 HZ PHE A 82 -3.766 6.656 -2.212 1.00 0.00 H new ATOM 1215 N HIS A 83 -0.336 2.044 -7.946 1.00 0.00 N ATOM 1216 CA HIS A 83 0.036 1.054 -8.948 1.00 0.00 C ATOM 1217 C HIS A 83 -0.423 -0.312 -8.471 1.00 0.00 C ATOM 1218 O HIS A 83 -0.425 -0.577 -7.268 1.00 0.00 O ATOM 1219 CB HIS A 83 1.550 0.998 -9.161 1.00 0.00 C ATOM 1220 CG HIS A 83 2.180 2.162 -9.863 1.00 0.00 C ATOM 1221 ND1 HIS A 83 3.549 2.160 -10.131 1.00 0.00 N ATOM 1222 CD2 HIS A 83 1.623 3.305 -10.366 1.00 0.00 C ATOM 1223 CE1 HIS A 83 3.749 3.280 -10.829 1.00 0.00 C ATOM 1224 NE2 HIS A 83 2.628 3.994 -11.009 1.00 0.00 N ATOM 0 H HIS A 83 0.168 1.953 -7.064 1.00 0.00 H new ATOM 0 HA HIS A 83 -0.435 1.335 -9.890 1.00 0.00 H new ATOM 0 HB2 HIS A 83 2.026 0.892 -8.186 1.00 0.00 H new ATOM 0 HB3 HIS A 83 1.780 0.096 -9.728 1.00 0.00 H new ATOM 0 HD2 HIS A 83 0.591 3.610 -10.276 1.00 0.00 H new ATOM 0 HE1 HIS A 83 4.714 3.580 -11.210 1.00 0.00 H new ATOM 0 HE2 HIS A 83 2.538 4.872 -11.520 1.00 0.00 H new ATOM 1232 N VAL A 84 -0.785 -1.177 -9.419 1.00 0.00 N ATOM 1233 CA VAL A 84 -1.147 -2.552 -9.140 1.00 0.00 C ATOM 1234 C VAL A 84 -0.091 -3.421 -9.813 1.00 0.00 C ATOM 1235 O VAL A 84 -0.149 -3.630 -11.025 1.00 0.00 O ATOM 1236 CB VAL A 84 -2.559 -2.876 -9.651 1.00 0.00 C ATOM 1237 CG1 VAL A 84 -2.968 -4.240 -9.085 1.00 0.00 C ATOM 1238 CG2 VAL A 84 -3.600 -1.837 -9.217 1.00 0.00 C ATOM 0 H VAL A 84 -0.833 -0.933 -10.408 1.00 0.00 H new ATOM 0 HA VAL A 84 -1.173 -2.738 -8.066 1.00 0.00 H new ATOM 0 HB VAL A 84 -2.530 -2.874 -10.741 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -3.969 -4.493 -9.434 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -2.263 -5.000 -9.422 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -2.963 -4.198 -7.996 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -4.579 -2.118 -9.607 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -3.641 -1.796 -8.129 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -3.321 -0.858 -9.607 1.00 0.00 H new ATOM 1248 N TYR A 85 0.898 -3.889 -9.053 1.00 0.00 N ATOM 1249 CA TYR A 85 1.904 -4.793 -9.578 1.00 0.00 C ATOM 1250 C TYR A 85 1.349 -6.200 -9.418 1.00 0.00 C ATOM 1251 O TYR A 85 1.237 -6.687 -8.297 1.00 0.00 O ATOM 1252 CB TYR A 85 3.240 -4.632 -8.843 1.00 0.00 C ATOM 1253 CG TYR A 85 3.968 -3.351 -9.187 1.00 0.00 C ATOM 1254 CD1 TYR A 85 3.688 -2.173 -8.474 1.00 0.00 C ATOM 1255 CD2 TYR A 85 4.882 -3.320 -10.259 1.00 0.00 C ATOM 1256 CE1 TYR A 85 4.288 -0.964 -8.857 1.00 0.00 C ATOM 1257 CE2 TYR A 85 5.474 -2.106 -10.644 1.00 0.00 C ATOM 1258 CZ TYR A 85 5.146 -0.922 -9.964 1.00 0.00 C ATOM 1259 OH TYR A 85 5.603 0.278 -10.416 1.00 0.00 O ATOM 0 H TYR A 85 1.019 -3.652 -8.068 1.00 0.00 H new ATOM 0 HA TYR A 85 2.111 -4.575 -10.626 1.00 0.00 H new ATOM 0 HB2 TYR A 85 3.060 -4.661 -7.768 1.00 0.00 H new ATOM 0 HB3 TYR A 85 3.881 -5.480 -9.082 1.00 0.00 H new ATOM 0 HD1 TYR A 85 3.012 -2.198 -7.632 1.00 0.00 H new ATOM 0 HD2 TYR A 85 5.128 -4.231 -10.785 1.00 0.00 H new ATOM 0 HE1 TYR A 85 4.088 -0.063 -8.297 1.00 0.00 H new ATOM 0 HE2 TYR A 85 6.180 -2.083 -11.461 1.00 0.00 H new ATOM 0 HH TYR A 85 5.055 0.999 -10.041 1.00 0.00 H new ATOM 1269 N LYS A 86 0.943 -6.850 -10.507 1.00 0.00 N ATOM 1270 CA LYS A 86 0.502 -8.229 -10.404 1.00 0.00 C ATOM 1271 C LYS A 86 1.775 -9.061 -10.449 1.00 0.00 C ATOM 1272 O LYS A 86 2.494 -9.000 -11.447 1.00 0.00 O ATOM 1273 CB LYS A 86 -0.478 -8.593 -11.524 1.00 0.00 C ATOM 1274 CG LYS A 86 -0.948 -10.049 -11.363 1.00 0.00 C ATOM 1275 CD LYS A 86 -2.431 -10.226 -11.712 1.00 0.00 C ATOM 1276 CE LYS A 86 -3.330 -9.728 -10.573 1.00 0.00 C ATOM 1277 NZ LYS A 86 -4.754 -9.896 -10.901 1.00 0.00 N ATOM 0 H LYS A 86 0.912 -6.452 -11.446 1.00 0.00 H new ATOM 0 HA LYS A 86 -0.052 -8.412 -9.484 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -1.336 -7.921 -11.500 1.00 0.00 H new ATOM 0 HB3 LYS A 86 0.002 -8.463 -12.494 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -0.347 -10.695 -12.003 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -0.778 -10.371 -10.336 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -2.660 -9.679 -12.626 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -2.638 -11.278 -11.910 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -3.099 -10.275 -9.659 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -3.122 -8.676 -10.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -5.334 -9.597 -10.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -4.990 -9.314 -11.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -4.946 -10.896 -11.114 1.00 0.00 H new ATOM 1291 N ASP A 87 2.081 -9.756 -9.349 1.00 0.00 N ATOM 1292 CA ASP A 87 3.230 -10.628 -9.123 1.00 0.00 C ATOM 1293 C ASP A 87 4.530 -9.834 -9.068 1.00 0.00 C ATOM 1294 O ASP A 87 5.243 -9.868 -8.072 1.00 0.00 O ATOM 1295 CB ASP A 87 3.268 -11.738 -10.182 1.00 0.00 C ATOM 1296 CG ASP A 87 1.974 -12.532 -10.128 1.00 0.00 C ATOM 1297 OD1 ASP A 87 1.656 -13.010 -9.015 1.00 0.00 O ATOM 1298 OD2 ASP A 87 1.299 -12.586 -11.177 1.00 0.00 O ATOM 0 H ASP A 87 1.478 -9.717 -8.527 1.00 0.00 H new ATOM 0 HA ASP A 87 3.121 -11.104 -8.148 1.00 0.00 H new ATOM 0 HB2 ASP A 87 3.401 -11.305 -11.174 1.00 0.00 H new ATOM 0 HB3 ASP A 87 4.119 -12.396 -10.005 1.00 0.00 H new ATOM 1303 N GLY A 88 4.838 -9.119 -10.141 1.00 0.00 N ATOM 1304 CA GLY A 88 6.013 -8.275 -10.253 1.00 0.00 C ATOM 1305 C GLY A 88 5.993 -7.400 -11.506 1.00 0.00 C ATOM 1306 O GLY A 88 7.047 -6.915 -11.910 1.00 0.00 O ATOM 0 H GLY A 88 4.259 -9.112 -10.980 1.00 0.00 H new ATOM 0 HA2 GLY A 88 6.083 -7.638 -9.371 1.00 0.00 H new ATOM 0 HA3 GLY A 88 6.905 -8.901 -10.266 1.00 0.00 H new ATOM 1310 N VAL A 89 4.825 -7.180 -12.126 1.00 0.00 N ATOM 1311 CA VAL A 89 4.701 -6.337 -13.310 1.00 0.00 C ATOM 1312 C VAL A 89 3.514 -5.396 -13.108 1.00 0.00 C ATOM 1313 O VAL A 89 2.465 -5.822 -12.624 1.00 0.00 O ATOM 1314 CB VAL A 89 4.579 -7.209 -14.576 1.00 0.00 C ATOM 1315 CG1 VAL A 89 3.468 -8.267 -14.498 1.00 0.00 C ATOM 1316 CG2 VAL A 89 4.380 -6.342 -15.826 1.00 0.00 C ATOM 0 H VAL A 89 3.942 -7.585 -11.815 1.00 0.00 H new ATOM 0 HA VAL A 89 5.593 -5.727 -13.452 1.00 0.00 H new ATOM 0 HB VAL A 89 5.524 -7.748 -14.646 1.00 0.00 H new ATOM 0 HG11 VAL A 89 3.445 -8.840 -15.425 1.00 0.00 H new ATOM 0 HG12 VAL A 89 3.663 -8.938 -13.662 1.00 0.00 H new ATOM 0 HG13 VAL A 89 2.507 -7.775 -14.352 1.00 0.00 H new ATOM 0 HG21 VAL A 89 4.297 -6.983 -16.704 1.00 0.00 H new ATOM 0 HG22 VAL A 89 3.469 -5.753 -15.719 1.00 0.00 H new ATOM 0 HG23 VAL A 89 5.232 -5.673 -15.944 1.00 0.00 H new ATOM 1326 N LYS A 90 3.702 -4.111 -13.435 1.00 0.00 N ATOM 1327 CA LYS A 90 2.687 -3.073 -13.317 1.00 0.00 C ATOM 1328 C LYS A 90 1.498 -3.440 -14.209 1.00 0.00 C ATOM 1329 O LYS A 90 1.495 -3.156 -15.404 1.00 0.00 O ATOM 1330 CB LYS A 90 3.294 -1.710 -13.699 1.00 0.00 C ATOM 1331 CG LYS A 90 2.387 -0.550 -13.259 1.00 0.00 C ATOM 1332 CD LYS A 90 2.810 0.808 -13.841 1.00 0.00 C ATOM 1333 CE LYS A 90 4.267 1.170 -13.540 1.00 0.00 C ATOM 1334 NZ LYS A 90 4.573 2.548 -13.963 1.00 0.00 N ATOM 0 H LYS A 90 4.589 -3.762 -13.798 1.00 0.00 H new ATOM 0 HA LYS A 90 2.333 -2.997 -12.289 1.00 0.00 H new ATOM 0 HB2 LYS A 90 4.275 -1.604 -13.235 1.00 0.00 H new ATOM 0 HB3 LYS A 90 3.445 -1.667 -14.778 1.00 0.00 H new ATOM 0 HG2 LYS A 90 1.362 -0.764 -13.563 1.00 0.00 H new ATOM 0 HG3 LYS A 90 2.391 -0.488 -12.171 1.00 0.00 H new ATOM 0 HD2 LYS A 90 2.662 0.794 -14.921 1.00 0.00 H new ATOM 0 HD3 LYS A 90 2.160 1.585 -13.440 1.00 0.00 H new ATOM 0 HE2 LYS A 90 4.457 1.064 -12.472 1.00 0.00 H new ATOM 0 HE3 LYS A 90 4.931 0.474 -14.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 5.379 2.909 -13.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 4.812 2.555 -14.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 3.744 3.154 -13.799 1.00 0.00 H new ATOM 1348 N ALA A 91 0.486 -4.079 -13.624 1.00 0.00 N ATOM 1349 CA ALA A 91 -0.717 -4.493 -14.318 1.00 0.00 C ATOM 1350 C ALA A 91 -1.663 -3.310 -14.478 1.00 0.00 C ATOM 1351 O ALA A 91 -2.458 -3.285 -15.414 1.00 0.00 O ATOM 1352 CB ALA A 91 -1.392 -5.623 -13.537 1.00 0.00 C ATOM 0 H ALA A 91 0.486 -4.325 -12.634 1.00 0.00 H new ATOM 0 HA ALA A 91 -0.456 -4.857 -15.312 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -2.297 -5.935 -14.058 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -0.709 -6.469 -13.457 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -1.651 -5.271 -12.539 1.00 0.00 H new ATOM 1358 N ASP A 92 -1.599 -2.338 -13.560 1.00 0.00 N ATOM 1359 CA ASP A 92 -2.450 -1.159 -13.630 1.00 0.00 C ATOM 1360 C ASP A 92 -1.823 0.014 -12.882 1.00 0.00 C ATOM 1361 O ASP A 92 -0.873 -0.174 -12.118 1.00 0.00 O ATOM 1362 CB ASP A 92 -3.833 -1.496 -13.061 1.00 0.00 C ATOM 1363 CG ASP A 92 -4.951 -0.853 -13.869 1.00 0.00 C ATOM 1364 OD1 ASP A 92 -4.779 0.328 -14.240 1.00 0.00 O ATOM 1365 OD2 ASP A 92 -5.961 -1.562 -14.086 1.00 0.00 O ATOM 0 H ASP A 92 -0.964 -2.351 -12.762 1.00 0.00 H new ATOM 0 HA ASP A 92 -2.557 -0.860 -14.673 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -3.968 -2.578 -13.051 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -3.892 -1.158 -12.026 1.00 0.00 H new ATOM 1370 N ASP A 93 -2.381 1.207 -13.105 1.00 0.00 N ATOM 1371 CA ASP A 93 -1.953 2.484 -12.542 1.00 0.00 C ATOM 1372 C ASP A 93 -3.200 3.266 -12.121 1.00 0.00 C ATOM 1373 O ASP A 93 -4.318 2.770 -12.245 1.00 0.00 O ATOM 1374 CB ASP A 93 -1.151 3.261 -13.603 1.00 0.00 C ATOM 1375 CG ASP A 93 -0.071 4.196 -13.057 1.00 0.00 C ATOM 1376 OD1 ASP A 93 -0.415 5.076 -12.239 1.00 0.00 O ATOM 1377 OD2 ASP A 93 1.093 4.029 -13.480 1.00 0.00 O ATOM 0 H ASP A 93 -3.189 1.310 -13.719 1.00 0.00 H new ATOM 0 HA ASP A 93 -1.314 2.331 -11.672 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -0.680 2.543 -14.275 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -1.847 3.849 -14.201 1.00 0.00 H new ATOM 1382 N LEU A 94 -2.990 4.501 -11.676 1.00 0.00 N ATOM 1383 CA LEU A 94 -3.975 5.478 -11.220 1.00 0.00 C ATOM 1384 C LEU A 94 -3.217 6.604 -10.514 1.00 0.00 C ATOM 1385 O LEU A 94 -2.242 6.348 -9.811 1.00 0.00 O ATOM 1386 CB LEU A 94 -5.014 4.834 -10.275 1.00 0.00 C ATOM 1387 CG LEU A 94 -5.782 5.820 -9.371 1.00 0.00 C ATOM 1388 CD1 LEU A 94 -6.695 6.738 -10.193 1.00 0.00 C ATOM 1389 CD2 LEU A 94 -6.630 5.061 -8.344 1.00 0.00 C ATOM 0 H LEU A 94 -2.044 4.877 -11.620 1.00 0.00 H new ATOM 0 HA LEU A 94 -4.532 5.870 -12.071 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -5.735 4.281 -10.877 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -4.504 4.108 -9.642 1.00 0.00 H new ATOM 0 HG LEU A 94 -5.041 6.431 -8.856 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -7.221 7.420 -9.525 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -6.094 7.312 -10.898 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -7.419 6.135 -10.740 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -7.164 5.773 -7.715 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -7.348 4.426 -8.863 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -5.982 4.443 -7.722 1.00 0.00 H new ATOM 1401 N VAL A 95 -3.672 7.848 -10.683 1.00 0.00 N ATOM 1402 CA VAL A 95 -3.130 9.029 -10.038 1.00 0.00 C ATOM 1403 C VAL A 95 -4.290 9.833 -9.458 1.00 0.00 C ATOM 1404 O VAL A 95 -5.392 9.808 -10.003 1.00 0.00 O ATOM 1405 CB VAL A 95 -2.304 9.861 -11.034 1.00 0.00 C ATOM 1406 CG1 VAL A 95 -1.002 9.131 -11.377 1.00 0.00 C ATOM 1407 CG2 VAL A 95 -3.066 10.193 -12.325 1.00 0.00 C ATOM 0 H VAL A 95 -4.458 8.060 -11.298 1.00 0.00 H new ATOM 0 HA VAL A 95 -2.454 8.742 -9.232 1.00 0.00 H new ATOM 0 HB VAL A 95 -2.087 10.808 -10.541 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -0.425 9.729 -12.083 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -0.419 8.980 -10.468 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -1.234 8.165 -11.825 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -2.427 10.781 -12.984 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -3.352 9.269 -12.827 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -3.961 10.765 -12.082 1.00 0.00 H new ATOM 1417 N GLY A 96 -4.039 10.540 -8.356 1.00 0.00 N ATOM 1418 CA GLY A 96 -5.038 11.361 -7.688 1.00 0.00 C ATOM 1419 C GLY A 96 -5.904 10.540 -6.732 1.00 0.00 C ATOM 1420 O GLY A 96 -5.894 9.309 -6.744 1.00 0.00 O ATOM 0 H GLY A 96 -3.126 10.556 -7.901 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -4.542 12.158 -7.134 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -5.673 11.839 -8.434 1.00 0.00 H new ATOM 1424 N ALA A 97 -6.689 11.236 -5.902 1.00 0.00 N ATOM 1425 CA ALA A 97 -7.527 10.646 -4.862 1.00 0.00 C ATOM 1426 C ALA A 97 -8.795 9.975 -5.409 1.00 0.00 C ATOM 1427 O ALA A 97 -9.871 10.125 -4.831 1.00 0.00 O ATOM 1428 CB ALA A 97 -7.901 11.759 -3.872 1.00 0.00 C ATOM 0 H ALA A 97 -6.758 12.253 -5.939 1.00 0.00 H new ATOM 0 HA ALA A 97 -6.959 9.853 -4.376 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -8.529 11.347 -3.082 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -6.994 12.177 -3.435 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -8.446 12.544 -4.396 1.00 0.00 H new ATOM 1434 N SER A 98 -8.697 9.210 -6.499 1.00 0.00 N ATOM 1435 CA SER A 98 -9.866 8.542 -7.061 1.00 0.00 C ATOM 1436 C SER A 98 -10.146 7.277 -6.246 1.00 0.00 C ATOM 1437 O SER A 98 -9.907 6.163 -6.709 1.00 0.00 O ATOM 1438 CB SER A 98 -9.652 8.242 -8.547 1.00 0.00 C ATOM 1439 OG SER A 98 -10.893 7.913 -9.141 1.00 0.00 O ATOM 0 H SER A 98 -7.827 9.041 -7.004 1.00 0.00 H new ATOM 0 HA SER A 98 -10.739 9.192 -7.000 1.00 0.00 H new ATOM 0 HB2 SER A 98 -9.215 9.108 -9.045 1.00 0.00 H new ATOM 0 HB3 SER A 98 -8.949 7.418 -8.666 1.00 0.00 H new ATOM 0 HG SER A 98 -10.760 7.722 -10.093 1.00 0.00 H new ATOM 1445 N GLN A 99 -10.652 7.451 -5.023 1.00 0.00 N ATOM 1446 CA GLN A 99 -10.968 6.350 -4.116 1.00 0.00 C ATOM 1447 C GLN A 99 -11.830 5.288 -4.813 1.00 0.00 C ATOM 1448 O GLN A 99 -11.594 4.093 -4.651 1.00 0.00 O ATOM 1449 CB GLN A 99 -11.630 6.892 -2.842 1.00 0.00 C ATOM 1450 CG GLN A 99 -12.918 7.697 -3.068 1.00 0.00 C ATOM 1451 CD GLN A 99 -13.460 8.236 -1.748 1.00 0.00 C ATOM 1452 OE1 GLN A 99 -13.350 9.420 -1.457 1.00 0.00 O ATOM 1453 NE2 GLN A 99 -14.049 7.369 -0.930 1.00 0.00 N ATOM 0 H GLN A 99 -10.855 8.371 -4.632 1.00 0.00 H new ATOM 0 HA GLN A 99 -10.042 5.855 -3.824 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -11.855 6.053 -2.183 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -10.912 7.524 -2.319 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -12.720 8.524 -3.750 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -13.668 7.065 -3.543 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -14.127 6.388 -1.197 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -14.423 7.685 -0.035 1.00 0.00 H new ATOM 1462 N ASP A 100 -12.812 5.727 -5.606 1.00 0.00 N ATOM 1463 CA ASP A 100 -13.682 4.840 -6.365 1.00 0.00 C ATOM 1464 C ASP A 100 -12.847 3.944 -7.281 1.00 0.00 C ATOM 1465 O ASP A 100 -13.000 2.723 -7.280 1.00 0.00 O ATOM 1466 CB ASP A 100 -14.671 5.673 -7.185 1.00 0.00 C ATOM 1467 CG ASP A 100 -15.519 4.778 -8.081 1.00 0.00 C ATOM 1468 OD1 ASP A 100 -16.518 4.240 -7.560 1.00 0.00 O ATOM 1469 OD2 ASP A 100 -15.142 4.644 -9.266 1.00 0.00 O ATOM 0 H ASP A 100 -13.023 6.716 -5.736 1.00 0.00 H new ATOM 0 HA ASP A 100 -14.240 4.204 -5.678 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -15.317 6.242 -6.516 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -14.128 6.395 -7.794 1.00 0.00 H new ATOM 1474 N LYS A 101 -11.943 4.553 -8.053 1.00 0.00 N ATOM 1475 CA LYS A 101 -11.092 3.803 -8.958 1.00 0.00 C ATOM 1476 C LYS A 101 -10.165 2.899 -8.145 1.00 0.00 C ATOM 1477 O LYS A 101 -9.929 1.767 -8.545 1.00 0.00 O ATOM 1478 CB LYS A 101 -10.325 4.768 -9.869 1.00 0.00 C ATOM 1479 CG LYS A 101 -9.537 4.077 -10.994 1.00 0.00 C ATOM 1480 CD LYS A 101 -10.363 3.133 -11.876 1.00 0.00 C ATOM 1481 CE LYS A 101 -11.589 3.818 -12.492 1.00 0.00 C ATOM 1482 NZ LYS A 101 -12.303 2.912 -13.408 1.00 0.00 N ATOM 0 H LYS A 101 -11.788 5.561 -8.064 1.00 0.00 H new ATOM 0 HA LYS A 101 -11.692 3.163 -9.605 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -11.031 5.470 -10.313 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -9.634 5.352 -9.262 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -9.089 4.843 -11.627 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -8.718 3.512 -10.550 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -9.731 2.742 -12.674 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -10.689 2.280 -11.281 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -12.263 4.143 -11.700 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -11.276 4.712 -13.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -13.127 3.403 -13.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -11.665 2.622 -14.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -12.621 2.071 -12.886 1.00 0.00 H new ATOM 1496 N LEU A 102 -9.651 3.376 -7.007 1.00 0.00 N ATOM 1497 CA LEU A 102 -8.801 2.589 -6.115 1.00 0.00 C ATOM 1498 C LEU A 102 -9.527 1.279 -5.763 1.00 0.00 C ATOM 1499 O LEU A 102 -8.989 0.183 -5.938 1.00 0.00 O ATOM 1500 CB LEU A 102 -8.493 3.404 -4.843 1.00 0.00 C ATOM 1501 CG LEU A 102 -7.062 3.290 -4.306 1.00 0.00 C ATOM 1502 CD1 LEU A 102 -7.026 4.019 -2.958 1.00 0.00 C ATOM 1503 CD2 LEU A 102 -6.589 1.850 -4.118 1.00 0.00 C ATOM 0 H LEU A 102 -9.816 4.327 -6.678 1.00 0.00 H new ATOM 0 HA LEU A 102 -7.857 2.351 -6.606 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -8.701 4.454 -5.048 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -9.181 3.090 -4.058 1.00 0.00 H new ATOM 0 HG LEU A 102 -6.387 3.732 -5.039 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -6.021 3.961 -2.540 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -7.300 5.064 -3.102 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -7.732 3.550 -2.272 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -5.568 1.849 -3.736 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -7.243 1.342 -3.409 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -6.618 1.330 -5.075 1.00 0.00 H new ATOM 1515 N LYS A 103 -10.768 1.410 -5.280 1.00 0.00 N ATOM 1516 CA LYS A 103 -11.619 0.291 -4.918 1.00 0.00 C ATOM 1517 C LYS A 103 -11.841 -0.616 -6.129 1.00 0.00 C ATOM 1518 O LYS A 103 -11.615 -1.820 -6.036 1.00 0.00 O ATOM 1519 CB LYS A 103 -12.952 0.822 -4.369 1.00 0.00 C ATOM 1520 CG LYS A 103 -12.779 1.468 -2.989 1.00 0.00 C ATOM 1521 CD LYS A 103 -14.083 2.127 -2.529 1.00 0.00 C ATOM 1522 CE LYS A 103 -13.912 2.821 -1.171 1.00 0.00 C ATOM 1523 NZ LYS A 103 -13.562 1.870 -0.099 1.00 0.00 N ATOM 0 H LYS A 103 -11.209 2.317 -5.130 1.00 0.00 H new ATOM 0 HA LYS A 103 -11.135 -0.303 -4.142 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -13.367 1.553 -5.064 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -13.669 0.004 -4.301 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -12.473 0.713 -2.265 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -11.984 2.213 -3.028 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -14.406 2.855 -3.273 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -14.868 1.374 -2.458 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -13.134 3.581 -1.249 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -14.836 3.337 -0.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -13.606 2.353 0.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -14.234 1.076 -0.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -12.599 1.510 -0.255 1.00 0.00 H new ATOM 1537 N ALA A 104 -12.274 -0.051 -7.260 1.00 0.00 N ATOM 1538 CA ALA A 104 -12.531 -0.816 -8.475 1.00 0.00 C ATOM 1539 C ALA A 104 -11.295 -1.620 -8.895 1.00 0.00 C ATOM 1540 O ALA A 104 -11.401 -2.804 -9.216 1.00 0.00 O ATOM 1541 CB ALA A 104 -12.963 0.136 -9.594 1.00 0.00 C ATOM 0 H ALA A 104 -12.455 0.948 -7.355 1.00 0.00 H new ATOM 0 HA ALA A 104 -13.333 -1.528 -8.278 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -13.155 -0.434 -10.503 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -13.871 0.660 -9.295 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -12.171 0.861 -9.781 1.00 0.00 H new ATOM 1547 N LEU A 105 -10.126 -0.974 -8.899 1.00 0.00 N ATOM 1548 CA LEU A 105 -8.862 -1.595 -9.257 1.00 0.00 C ATOM 1549 C LEU A 105 -8.610 -2.788 -8.347 1.00 0.00 C ATOM 1550 O LEU A 105 -8.444 -3.906 -8.835 1.00 0.00 O ATOM 1551 CB LEU A 105 -7.707 -0.591 -9.151 1.00 0.00 C ATOM 1552 CG LEU A 105 -7.659 0.407 -10.317 1.00 0.00 C ATOM 1553 CD1 LEU A 105 -6.622 1.486 -9.997 1.00 0.00 C ATOM 1554 CD2 LEU A 105 -7.267 -0.271 -11.632 1.00 0.00 C ATOM 0 H LEU A 105 -10.037 0.011 -8.649 1.00 0.00 H new ATOM 0 HA LEU A 105 -8.917 -1.932 -10.292 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -7.798 -0.041 -8.215 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -6.764 -1.136 -9.110 1.00 0.00 H new ATOM 0 HG LEU A 105 -8.654 0.835 -10.438 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -6.577 2.202 -10.817 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -6.905 2.002 -9.080 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -5.644 1.023 -9.866 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -7.245 0.470 -12.431 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -6.280 -0.723 -11.529 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -7.996 -1.044 -11.874 1.00 0.00 H new ATOM 1566 N VAL A 106 -8.588 -2.571 -7.028 1.00 0.00 N ATOM 1567 CA VAL A 106 -8.380 -3.683 -6.114 1.00 0.00 C ATOM 1568 C VAL A 106 -9.394 -4.778 -6.390 1.00 0.00 C ATOM 1569 O VAL A 106 -9.024 -5.940 -6.493 1.00 0.00 O ATOM 1570 CB VAL A 106 -8.444 -3.212 -4.652 1.00 0.00 C ATOM 1571 CG1 VAL A 106 -8.957 -4.279 -3.677 1.00 0.00 C ATOM 1572 CG2 VAL A 106 -7.022 -2.880 -4.222 1.00 0.00 C ATOM 0 H VAL A 106 -8.709 -1.660 -6.585 1.00 0.00 H new ATOM 0 HA VAL A 106 -7.383 -4.092 -6.278 1.00 0.00 H new ATOM 0 HB VAL A 106 -9.134 -2.369 -4.617 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -8.973 -3.871 -2.666 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -9.965 -4.579 -3.963 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -8.298 -5.147 -3.707 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -7.025 -2.541 -3.186 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -6.398 -3.769 -4.311 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -6.623 -2.092 -4.861 1.00 0.00 H new ATOM 1582 N ALA A 107 -10.664 -4.409 -6.523 1.00 0.00 N ATOM 1583 CA ALA A 107 -11.715 -5.385 -6.696 1.00 0.00 C ATOM 1584 C ALA A 107 -11.453 -6.279 -7.910 1.00 0.00 C ATOM 1585 O ALA A 107 -11.506 -7.500 -7.783 1.00 0.00 O ATOM 1586 CB ALA A 107 -13.074 -4.686 -6.796 1.00 0.00 C ATOM 0 H ALA A 107 -10.982 -3.440 -6.513 1.00 0.00 H new ATOM 0 HA ALA A 107 -11.728 -6.034 -5.820 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -13.858 -5.432 -6.926 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -13.260 -4.120 -5.883 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -13.073 -4.008 -7.650 1.00 0.00 H new ATOM 1592 N LYS A 108 -11.163 -5.704 -9.083 1.00 0.00 N ATOM 1593 CA LYS A 108 -10.921 -6.516 -10.266 1.00 0.00 C ATOM 1594 C LYS A 108 -9.619 -7.314 -10.135 1.00 0.00 C ATOM 1595 O LYS A 108 -9.589 -8.523 -10.356 1.00 0.00 O ATOM 1596 CB LYS A 108 -10.935 -5.636 -11.526 1.00 0.00 C ATOM 1597 CG LYS A 108 -9.808 -4.613 -11.682 1.00 0.00 C ATOM 1598 CD LYS A 108 -9.906 -3.766 -12.957 1.00 0.00 C ATOM 1599 CE LYS A 108 -11.211 -2.966 -13.017 1.00 0.00 C ATOM 1600 NZ LYS A 108 -11.146 -1.910 -14.042 1.00 0.00 N ATOM 0 H LYS A 108 -11.093 -4.697 -9.231 1.00 0.00 H new ATOM 0 HA LYS A 108 -11.726 -7.245 -10.360 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -10.917 -6.293 -12.396 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -11.883 -5.099 -11.552 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -9.811 -3.950 -10.817 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -8.852 -5.137 -11.679 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -9.059 -3.082 -13.003 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -9.839 -4.416 -13.830 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -12.042 -3.637 -13.236 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -11.411 -2.519 -12.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -12.044 -1.386 -14.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -10.368 -1.257 -13.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -10.980 -2.341 -14.974 1.00 0.00 H new ATOM 1614 N HIS A 109 -8.532 -6.632 -9.773 1.00 0.00 N ATOM 1615 CA HIS A 109 -7.206 -7.226 -9.693 1.00 0.00 C ATOM 1616 C HIS A 109 -7.052 -8.188 -8.510 1.00 0.00 C ATOM 1617 O HIS A 109 -6.085 -8.946 -8.484 1.00 0.00 O ATOM 1618 CB HIS A 109 -6.159 -6.109 -9.643 1.00 0.00 C ATOM 1619 CG HIS A 109 -6.001 -5.373 -10.952 1.00 0.00 C ATOM 1620 ND1 HIS A 109 -5.236 -5.909 -11.988 1.00 0.00 N ATOM 1621 CD2 HIS A 109 -6.500 -4.163 -11.361 1.00 0.00 C ATOM 1622 CE1 HIS A 109 -5.321 -5.013 -12.976 1.00 0.00 C ATOM 1623 NE2 HIS A 109 -6.078 -3.953 -12.655 1.00 0.00 N ATOM 0 H HIS A 109 -8.552 -5.643 -9.526 1.00 0.00 H new ATOM 0 HA HIS A 109 -7.054 -7.833 -10.586 1.00 0.00 H new ATOM 0 HB2 HIS A 109 -6.436 -5.397 -8.866 1.00 0.00 H new ATOM 0 HB3 HIS A 109 -5.198 -6.535 -9.357 1.00 0.00 H new ATOM 0 HD2 HIS A 109 -7.113 -3.495 -10.774 1.00 0.00 H new ATOM 0 HE1 HIS A 109 -4.832 -5.130 -13.932 1.00 0.00 H new ATOM 0 HE2 HIS A 109 -6.297 -3.153 -13.249 1.00 0.00 H new ATOM 1631 N ALA A 110 -7.986 -8.181 -7.550 1.00 0.00 N ATOM 1632 CA ALA A 110 -7.989 -9.036 -6.367 1.00 0.00 C ATOM 1633 C ALA A 110 -7.637 -10.490 -6.696 1.00 0.00 C ATOM 1634 O ALA A 110 -6.931 -11.138 -5.927 1.00 0.00 O ATOM 1635 CB ALA A 110 -9.371 -9.009 -5.714 1.00 0.00 C ATOM 0 H ALA A 110 -8.789 -7.553 -7.582 1.00 0.00 H new ATOM 0 HA ALA A 110 -7.229 -8.645 -5.691 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -9.369 -9.649 -4.831 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -9.615 -7.988 -5.422 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -10.115 -9.371 -6.423 1.00 0.00 H new ATOM 1641 N ALA A 111 -8.148 -10.990 -7.827 1.00 0.00 N ATOM 1642 CA ALA A 111 -7.970 -12.360 -8.289 1.00 0.00 C ATOM 1643 C ALA A 111 -8.616 -13.313 -7.277 1.00 0.00 C ATOM 1644 O ALA A 111 -9.795 -13.144 -6.968 1.00 0.00 O ATOM 1645 CB ALA A 111 -6.486 -12.650 -8.567 1.00 0.00 C ATOM 0 H ALA A 111 -8.715 -10.429 -8.463 1.00 0.00 H new ATOM 0 HA ALA A 111 -8.475 -12.516 -9.242 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -6.374 -13.678 -8.911 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -6.120 -11.969 -9.335 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -5.910 -12.509 -7.652 1.00 0.00 H new