USER MOD reduce.3.24.130724 H: found=0, std=0, add=1033, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 1033 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 82 CYS SG : rot -62:sc= -1.46! USER MOD Set 1.2: A 102 THR OG1 : rot -170:sc= 1.22 USER MOD Set 2.1: A 59 ASN : amide:sc= 0.977 K(o=2.9,f=-8.4!) USER MOD Set 2.2: A 75 LYS NZ :NH3+ 145:sc= 1.9 (180deg=0.295) USER MOD Set 3.1: A 9 GLN : amide:sc= 1.15 K(o=-4.3,f=-5.5) USER MOD Set 3.2: A 11 GLN : amide:sc= -5.49! C(o=-4.3!,f=-6.4!) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 HIS : no HD1:sc= -0.319 X(o=-0.32,f=0) USER MOD Single : A 16 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 17 ASN : amide:sc= -0.0675 K(o=-0.067,f=-1.3!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00749) USER MOD Single : A 29 THR OG1 : rot 71:sc= 0.838 USER MOD Single : A 32 SER OG : rot -83:sc= 0.639 USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0.191 USER MOD Single : A 40 TYR OH : rot -102:sc= 1.25 USER MOD Single : A 41 THR OG1 : rot 158:sc= 1.2 USER MOD Single : A 47 SER OG : rot -95:sc= 1.21 USER MOD Single : A 51 ASN : amide:sc= 0.78 K(o=0.78,f=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0.066 USER MOD Single : A 60 THR OG1 : rot 77:sc= 0.809 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 71 HIS : no HD1:sc= 0 X(o=0,f=-0.016) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 81 ASN : amide:sc= -0.0222 K(o=-0.022,f=-0.97) USER MOD Single : A 85 THR OG1 : rot 90:sc= 1.1 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 ASN : amide:sc= -5.73! C(o=-5.7!,f=-9.4!) USER MOD Single : A 90 GLN : amide:sc= 1.35 K(o=1.4,f=-0.32) USER MOD Single : A 91 GLN : amide:sc= -0.047 X(o=-0.047,f=-0.0011) USER MOD Single : A 94 ASN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 100 MET CE :methyl -123:sc= 0 (180deg=-1.27) USER MOD Single : A 104 SER OG : rot 180:sc= 0.119 USER MOD Single : A 106 ASN : amide:sc= -0.236 K(o=-0.24,f=-2.6!) USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot -159:sc= -1.18 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD Single : A 113 GLN :FLIP amide:sc= -4.75! C(o=-6.2!,f=-4.7!) USER MOD Single : A 114 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 115 GLN : amide:sc= 0.743 K(o=0.74,f=-0.42) USER MOD Single : A 116 TYR OH : rot 150:sc= 0 USER MOD Single : A 123 GLN :FLIP amide:sc= -0.12 F(o=-0.75!,f=-0.12) USER MOD Single : A 125 GLN :FLIP amide:sc= -0.487 F(o=-1.8!,f=-0.49) USER MOD Single : A 129 THR OG1 : rot -100:sc= -0.552 USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 134 LYS NZ :NH3+ 149:sc= 0.644 (180deg=-0.21) USER MOD Single : A 138 LYS NZ :NH3+ 161:sc= 1.18 (180deg=0.898) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 3.082 8.972 2.731 1.00 0.00 N ATOM 2 CA PRO A 1 3.833 8.195 1.764 1.00 0.00 C ATOM 3 C PRO A 1 5.314 8.547 1.891 1.00 0.00 C ATOM 4 O PRO A 1 5.710 9.267 2.799 1.00 0.00 O ATOM 5 CB PRO A 1 3.307 8.515 0.364 1.00 0.00 C ATOM 6 CG PRO A 1 2.095 9.346 0.625 1.00 0.00 C ATOM 7 CD PRO A 1 2.255 9.936 2.015 1.00 0.00 C ATOM 0 H2 PRO A 1 3.717 9.454 3.367 1.00 0.00 H new ATOM 0 H3 PRO A 1 2.498 8.359 3.300 1.00 0.00 H new ATOM 0 HA PRO A 1 3.715 7.127 1.945 1.00 0.00 H new ATOM 0 HB2 PRO A 1 4.045 9.057 -0.227 1.00 0.00 H new ATOM 0 HB3 PRO A 1 3.060 7.608 -0.188 1.00 0.00 H new ATOM 0 HG2 PRO A 1 2.000 10.135 -0.121 1.00 0.00 H new ATOM 0 HG3 PRO A 1 1.191 8.740 0.565 1.00 0.00 H new ATOM 0 HD2 PRO A 1 2.731 10.916 1.977 1.00 0.00 H new ATOM 0 HD3 PRO A 1 1.289 10.069 2.503 1.00 0.00 H new ATOM 17 N VAL A 2 6.114 8.003 1.031 1.00 0.00 N ATOM 18 CA VAL A 2 7.527 8.261 0.987 1.00 0.00 C ATOM 19 C VAL A 2 7.838 9.064 -0.262 1.00 0.00 C ATOM 20 O VAL A 2 7.302 8.786 -1.344 1.00 0.00 O ATOM 21 CB VAL A 2 8.345 6.928 0.970 1.00 0.00 C ATOM 22 CG1 VAL A 2 9.856 7.174 0.834 1.00 0.00 C ATOM 23 CG2 VAL A 2 8.065 6.120 2.223 1.00 0.00 C ATOM 0 H VAL A 2 5.798 7.347 0.317 1.00 0.00 H new ATOM 0 HA VAL A 2 7.810 8.819 1.879 1.00 0.00 H new ATOM 0 HB VAL A 2 8.022 6.366 0.093 1.00 0.00 H new ATOM 0 HG11 VAL A 2 10.381 6.219 0.827 1.00 0.00 H new ATOM 0 HG12 VAL A 2 10.056 7.705 -0.097 1.00 0.00 H new ATOM 0 HG13 VAL A 2 10.204 7.773 1.675 1.00 0.00 H new ATOM 0 HG21 VAL A 2 8.642 5.195 2.196 1.00 0.00 H new ATOM 0 HG22 VAL A 2 8.350 6.700 3.101 1.00 0.00 H new ATOM 0 HG23 VAL A 2 7.002 5.883 2.273 1.00 0.00 H new ATOM 33 N THR A 3 8.674 10.034 -0.123 1.00 0.00 N ATOM 34 CA THR A 3 9.055 10.836 -1.218 1.00 0.00 C ATOM 35 C THR A 3 10.545 10.644 -1.412 1.00 0.00 C ATOM 36 O THR A 3 11.270 10.382 -0.462 1.00 0.00 O ATOM 37 CB THR A 3 8.679 12.341 -0.995 1.00 0.00 C ATOM 38 OG1 THR A 3 8.783 13.071 -2.227 1.00 0.00 O ATOM 39 CG2 THR A 3 9.568 13.002 0.058 1.00 0.00 C ATOM 0 H THR A 3 9.112 10.289 0.762 1.00 0.00 H new ATOM 0 HA THR A 3 8.517 10.535 -2.117 1.00 0.00 H new ATOM 0 HB THR A 3 7.650 12.363 -0.637 1.00 0.00 H new ATOM 0 HG1 THR A 3 8.544 14.009 -2.073 1.00 0.00 H new ATOM 0 HG21 THR A 3 9.273 14.044 0.181 1.00 0.00 H new ATOM 0 HG22 THR A 3 9.457 12.479 1.008 1.00 0.00 H new ATOM 0 HG23 THR A 3 10.609 12.955 -0.263 1.00 0.00 H new ATOM 47 N GLU A 4 10.981 10.698 -2.600 1.00 0.00 N ATOM 48 CA GLU A 4 12.348 10.512 -2.893 1.00 0.00 C ATOM 49 C GLU A 4 12.960 11.805 -3.380 1.00 0.00 C ATOM 50 O GLU A 4 12.384 12.532 -4.198 1.00 0.00 O ATOM 51 CB GLU A 4 12.468 9.298 -3.790 1.00 0.00 C ATOM 52 CG GLU A 4 13.377 9.363 -5.000 1.00 0.00 C ATOM 53 CD GLU A 4 14.839 9.456 -4.688 1.00 0.00 C ATOM 54 OE1 GLU A 4 15.367 8.521 -4.066 1.00 0.00 O ATOM 55 OE2 GLU A 4 15.490 10.403 -5.154 1.00 0.00 O ATOM 0 H GLU A 4 10.394 10.875 -3.415 1.00 0.00 H new ATOM 0 HA GLU A 4 12.951 10.281 -2.015 1.00 0.00 H new ATOM 0 HB2 GLU A 4 12.803 8.465 -3.172 1.00 0.00 H new ATOM 0 HB3 GLU A 4 11.467 9.051 -4.144 1.00 0.00 H new ATOM 0 HG2 GLU A 4 13.207 8.477 -5.612 1.00 0.00 H new ATOM 0 HG3 GLU A 4 13.094 10.226 -5.603 1.00 0.00 H new ATOM 62 N THR A 5 14.064 12.100 -2.797 1.00 0.00 N ATOM 63 CA THR A 5 14.721 13.347 -2.912 1.00 0.00 C ATOM 64 C THR A 5 16.229 13.152 -3.133 1.00 0.00 C ATOM 65 O THR A 5 16.916 12.497 -2.346 1.00 0.00 O ATOM 66 CB THR A 5 14.430 14.142 -1.591 1.00 0.00 C ATOM 67 OG1 THR A 5 15.134 15.396 -1.527 1.00 0.00 O ATOM 68 CG2 THR A 5 14.716 13.287 -0.334 1.00 0.00 C ATOM 0 H THR A 5 14.559 11.442 -2.195 1.00 0.00 H new ATOM 0 HA THR A 5 14.354 13.903 -3.775 1.00 0.00 H new ATOM 0 HB THR A 5 13.365 14.375 -1.610 1.00 0.00 H new ATOM 0 HG1 THR A 5 14.916 15.851 -0.687 1.00 0.00 H new ATOM 0 HG21 THR A 5 14.503 13.872 0.560 1.00 0.00 H new ATOM 0 HG22 THR A 5 14.084 12.399 -0.346 1.00 0.00 H new ATOM 0 HG23 THR A 5 15.764 12.986 -0.329 1.00 0.00 H new ATOM 76 N VAL A 6 16.754 13.711 -4.183 1.00 0.00 N ATOM 77 CA VAL A 6 18.161 13.641 -4.442 1.00 0.00 C ATOM 78 C VAL A 6 18.879 14.865 -3.930 1.00 0.00 C ATOM 79 O VAL A 6 18.622 16.008 -4.355 1.00 0.00 O ATOM 80 CB VAL A 6 18.532 13.358 -5.935 1.00 0.00 C ATOM 81 CG1 VAL A 6 18.204 11.931 -6.322 1.00 0.00 C ATOM 82 CG2 VAL A 6 17.836 14.309 -6.885 1.00 0.00 C ATOM 0 H VAL A 6 16.220 14.227 -4.882 1.00 0.00 H new ATOM 0 HA VAL A 6 18.506 12.770 -3.885 1.00 0.00 H new ATOM 0 HB VAL A 6 19.607 13.515 -6.019 1.00 0.00 H new ATOM 0 HG11 VAL A 6 18.473 11.766 -7.365 1.00 0.00 H new ATOM 0 HG12 VAL A 6 18.766 11.244 -5.689 1.00 0.00 H new ATOM 0 HG13 VAL A 6 17.136 11.755 -6.191 1.00 0.00 H new ATOM 0 HG21 VAL A 6 18.124 14.075 -7.910 1.00 0.00 H new ATOM 0 HG22 VAL A 6 16.756 14.205 -6.778 1.00 0.00 H new ATOM 0 HG23 VAL A 6 18.126 15.333 -6.652 1.00 0.00 H new ATOM 92 N ASP A 7 19.768 14.632 -3.024 1.00 0.00 N ATOM 93 CA ASP A 7 20.598 15.680 -2.469 1.00 0.00 C ATOM 94 C ASP A 7 21.609 16.088 -3.525 1.00 0.00 C ATOM 95 O ASP A 7 21.972 15.258 -4.375 1.00 0.00 O ATOM 96 CB ASP A 7 21.277 15.176 -1.179 1.00 0.00 C ATOM 97 CG ASP A 7 22.404 16.037 -0.699 1.00 0.00 C ATOM 98 OD1 ASP A 7 22.167 17.030 0.018 1.00 0.00 O ATOM 99 OD2 ASP A 7 23.550 15.702 -1.011 1.00 0.00 O ATOM 0 H ASP A 7 19.950 13.706 -2.636 1.00 0.00 H new ATOM 0 HA ASP A 7 20.003 16.552 -2.198 1.00 0.00 H new ATOM 0 HB2 ASP A 7 20.527 15.107 -0.391 1.00 0.00 H new ATOM 0 HB3 ASP A 7 21.653 14.168 -1.351 1.00 0.00 H new ATOM 104 N GLY A 8 22.062 17.333 -3.476 1.00 0.00 N ATOM 105 CA GLY A 8 22.945 17.924 -4.509 1.00 0.00 C ATOM 106 C GLY A 8 24.363 17.344 -4.625 1.00 0.00 C ATOM 107 O GLY A 8 25.319 18.076 -4.918 1.00 0.00 O ATOM 0 H GLY A 8 21.834 17.977 -2.719 1.00 0.00 H new ATOM 0 HA2 GLY A 8 22.454 17.817 -5.476 1.00 0.00 H new ATOM 0 HA3 GLY A 8 23.031 18.993 -4.311 1.00 0.00 H new ATOM 111 N GLN A 9 24.502 16.064 -4.385 1.00 0.00 N ATOM 112 CA GLN A 9 25.753 15.348 -4.589 1.00 0.00 C ATOM 113 C GLN A 9 25.481 14.171 -5.500 1.00 0.00 C ATOM 114 O GLN A 9 26.369 13.384 -5.818 1.00 0.00 O ATOM 115 CB GLN A 9 26.313 14.843 -3.283 1.00 0.00 C ATOM 116 CG GLN A 9 26.500 15.916 -2.259 1.00 0.00 C ATOM 117 CD GLN A 9 26.989 15.381 -0.949 1.00 0.00 C ATOM 118 OE1 GLN A 9 28.195 15.265 -0.720 1.00 0.00 O ATOM 119 NE2 GLN A 9 26.073 15.083 -0.068 1.00 0.00 N ATOM 0 H GLN A 9 23.745 15.476 -4.038 1.00 0.00 H new ATOM 0 HA GLN A 9 26.483 16.027 -5.031 1.00 0.00 H new ATOM 0 HB2 GLN A 9 25.645 14.081 -2.881 1.00 0.00 H new ATOM 0 HB3 GLN A 9 27.272 14.360 -3.471 1.00 0.00 H new ATOM 0 HG2 GLN A 9 27.211 16.652 -2.635 1.00 0.00 H new ATOM 0 HG3 GLN A 9 25.554 16.435 -2.105 1.00 0.00 H new ATOM 0 HE21 GLN A 9 25.086 15.195 -0.301 1.00 0.00 H new ATOM 0 HE22 GLN A 9 26.344 14.739 0.853 1.00 0.00 H new ATOM 128 N GLY A 10 24.231 14.021 -5.868 1.00 0.00 N ATOM 129 CA GLY A 10 23.862 12.997 -6.800 1.00 0.00 C ATOM 130 C GLY A 10 23.220 11.806 -6.155 1.00 0.00 C ATOM 131 O GLY A 10 22.533 11.053 -6.817 1.00 0.00 O ATOM 0 H GLY A 10 23.458 14.596 -5.534 1.00 0.00 H new ATOM 0 HA2 GLY A 10 23.176 13.416 -7.536 1.00 0.00 H new ATOM 0 HA3 GLY A 10 24.750 12.672 -7.342 1.00 0.00 H new ATOM 135 N GLN A 11 23.430 11.623 -4.871 1.00 0.00 N ATOM 136 CA GLN A 11 22.853 10.451 -4.212 1.00 0.00 C ATOM 137 C GLN A 11 21.387 10.663 -3.826 1.00 0.00 C ATOM 138 O GLN A 11 20.948 11.806 -3.561 1.00 0.00 O ATOM 139 CB GLN A 11 23.694 9.932 -3.030 1.00 0.00 C ATOM 140 CG GLN A 11 23.634 10.724 -1.744 1.00 0.00 C ATOM 141 CD GLN A 11 24.137 12.118 -1.844 1.00 0.00 C ATOM 142 OE1 GLN A 11 25.300 12.389 -1.632 1.00 0.00 O ATOM 143 NE2 GLN A 11 23.268 13.006 -2.208 1.00 0.00 N ATOM 0 H GLN A 11 23.975 12.241 -4.271 1.00 0.00 H new ATOM 0 HA GLN A 11 22.876 9.659 -4.960 1.00 0.00 H new ATOM 0 HB2 GLN A 11 23.380 8.911 -2.814 1.00 0.00 H new ATOM 0 HB3 GLN A 11 24.735 9.884 -3.350 1.00 0.00 H new ATOM 0 HG2 GLN A 11 22.601 10.750 -1.398 1.00 0.00 H new ATOM 0 HG3 GLN A 11 24.211 10.199 -0.983 1.00 0.00 H new ATOM 0 HE21 GLN A 11 22.300 12.733 -2.376 1.00 0.00 H new ATOM 0 HE22 GLN A 11 23.552 13.978 -2.327 1.00 0.00 H new ATOM 152 N ALA A 12 20.657 9.581 -3.775 1.00 0.00 N ATOM 153 CA ALA A 12 19.242 9.609 -3.550 1.00 0.00 C ATOM 154 C ALA A 12 18.907 9.290 -2.112 1.00 0.00 C ATOM 155 O ALA A 12 19.495 8.371 -1.500 1.00 0.00 O ATOM 156 CB ALA A 12 18.563 8.650 -4.500 1.00 0.00 C ATOM 0 H ALA A 12 21.038 8.642 -3.891 1.00 0.00 H new ATOM 0 HA ALA A 12 18.874 10.617 -3.744 1.00 0.00 H new ATOM 0 HB1 ALA A 12 17.487 8.670 -4.330 1.00 0.00 H new ATOM 0 HB2 ALA A 12 18.774 8.946 -5.528 1.00 0.00 H new ATOM 0 HB3 ALA A 12 18.938 7.641 -4.329 1.00 0.00 H new ATOM 162 N TRP A 13 18.002 10.074 -1.566 1.00 0.00 N ATOM 163 CA TRP A 13 17.540 9.941 -0.204 1.00 0.00 C ATOM 164 C TRP A 13 16.052 9.848 -0.239 1.00 0.00 C ATOM 165 O TRP A 13 15.421 10.307 -1.179 1.00 0.00 O ATOM 166 CB TRP A 13 17.941 11.131 0.654 1.00 0.00 C ATOM 167 CG TRP A 13 19.407 11.374 0.701 1.00 0.00 C ATOM 168 CD1 TRP A 13 20.111 12.116 -0.174 1.00 0.00 C ATOM 169 CD2 TRP A 13 20.352 10.870 1.653 1.00 0.00 C ATOM 170 NE1 TRP A 13 21.436 12.154 0.190 1.00 0.00 N ATOM 171 CE2 TRP A 13 21.612 11.388 1.297 1.00 0.00 C ATOM 172 CE3 TRP A 13 20.261 10.051 2.774 1.00 0.00 C ATOM 173 CZ2 TRP A 13 22.766 11.105 2.013 1.00 0.00 C ATOM 174 CZ3 TRP A 13 21.411 9.771 3.482 1.00 0.00 C ATOM 175 CH2 TRP A 13 22.648 10.300 3.096 1.00 0.00 C ATOM 0 H TRP A 13 17.557 10.840 -2.071 1.00 0.00 H new ATOM 0 HA TRP A 13 17.993 9.053 0.236 1.00 0.00 H new ATOM 0 HB2 TRP A 13 17.447 12.024 0.272 1.00 0.00 H new ATOM 0 HB3 TRP A 13 17.576 10.974 1.669 1.00 0.00 H new ATOM 0 HD1 TRP A 13 19.694 12.611 -1.039 1.00 0.00 H new ATOM 0 HE1 TRP A 13 22.169 12.674 -0.293 1.00 0.00 H new ATOM 0 HE3 TRP A 13 19.310 9.643 3.083 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 23.722 11.511 1.718 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 21.356 9.132 4.351 1.00 0.00 H new ATOM 0 HH2 TRP A 13 23.528 10.061 3.675 1.00 0.00 H new ATOM 186 N ARG A 14 15.483 9.244 0.738 1.00 0.00 N ATOM 187 CA ARG A 14 14.070 9.016 0.729 1.00 0.00 C ATOM 188 C ARG A 14 13.510 9.438 2.028 1.00 0.00 C ATOM 189 O ARG A 14 13.990 9.039 3.075 1.00 0.00 O ATOM 190 CB ARG A 14 13.742 7.552 0.459 1.00 0.00 C ATOM 191 CG ARG A 14 14.148 7.015 -0.920 1.00 0.00 C ATOM 192 CD ARG A 14 15.668 6.813 -1.021 1.00 0.00 C ATOM 193 NE ARG A 14 16.133 6.585 -2.377 1.00 0.00 N ATOM 194 CZ ARG A 14 16.689 5.441 -2.837 1.00 0.00 C ATOM 195 NH1 ARG A 14 16.936 4.419 -1.999 1.00 0.00 N ATOM 196 NH2 ARG A 14 17.006 5.327 -4.123 1.00 0.00 N ATOM 0 H ARG A 14 15.970 8.893 1.563 1.00 0.00 H new ATOM 0 HA ARG A 14 13.624 9.601 -0.076 1.00 0.00 H new ATOM 0 HB2 ARG A 14 14.229 6.944 1.221 1.00 0.00 H new ATOM 0 HB3 ARG A 14 12.668 7.413 0.579 1.00 0.00 H new ATOM 0 HG2 ARG A 14 13.641 6.068 -1.107 1.00 0.00 H new ATOM 0 HG3 ARG A 14 13.820 7.710 -1.693 1.00 0.00 H new ATOM 0 HD2 ARG A 14 16.171 7.691 -0.616 1.00 0.00 H new ATOM 0 HD3 ARG A 14 15.956 5.965 -0.399 1.00 0.00 H new ATOM 0 HE ARG A 14 16.032 7.354 -3.040 1.00 0.00 H new ATOM 0 HH11 ARG A 14 16.704 4.503 -1.009 1.00 0.00 H new ATOM 0 HH12 ARG A 14 17.355 3.559 -2.353 1.00 0.00 H new ATOM 0 HH21 ARG A 14 16.830 6.102 -4.762 1.00 0.00 H new ATOM 0 HH22 ARG A 14 17.425 4.465 -4.470 1.00 0.00 H new ATOM 210 N HIS A 15 12.519 10.238 1.969 1.00 0.00 N ATOM 211 CA HIS A 15 11.975 10.838 3.160 1.00 0.00 C ATOM 212 C HIS A 15 10.548 10.427 3.372 1.00 0.00 C ATOM 213 O HIS A 15 9.802 10.220 2.418 1.00 0.00 O ATOM 214 CB HIS A 15 12.100 12.372 3.113 1.00 0.00 C ATOM 215 CG HIS A 15 13.494 12.912 3.316 1.00 0.00 C ATOM 216 ND1 HIS A 15 13.735 14.117 3.912 1.00 0.00 N ATOM 217 CD2 HIS A 15 14.722 12.419 2.979 1.00 0.00 C ATOM 218 CE1 HIS A 15 15.025 14.347 3.938 1.00 0.00 C ATOM 219 NE2 HIS A 15 15.647 13.332 3.381 1.00 0.00 N ATOM 0 H HIS A 15 12.050 10.507 1.104 1.00 0.00 H new ATOM 0 HA HIS A 15 12.558 10.476 4.007 1.00 0.00 H new ATOM 0 HB2 HIS A 15 11.730 12.721 2.149 1.00 0.00 H new ATOM 0 HB3 HIS A 15 11.449 12.797 3.877 1.00 0.00 H new ATOM 0 HD2 HIS A 15 14.922 11.479 2.485 1.00 0.00 H new ATOM 0 HE1 HIS A 15 15.499 15.226 4.349 1.00 0.00 H new ATOM 0 HE2 HIS A 15 16.657 13.243 3.269 1.00 0.00 H new ATOM 228 N HIS A 16 10.172 10.307 4.612 1.00 0.00 N ATOM 229 CA HIS A 16 8.819 9.928 4.976 1.00 0.00 C ATOM 230 C HIS A 16 7.952 11.150 5.081 1.00 0.00 C ATOM 231 O HIS A 16 8.354 12.167 5.655 1.00 0.00 O ATOM 232 CB HIS A 16 8.765 9.217 6.343 1.00 0.00 C ATOM 233 CG HIS A 16 9.279 7.816 6.402 1.00 0.00 C ATOM 234 ND1 HIS A 16 10.550 7.496 6.792 1.00 0.00 N ATOM 235 CD2 HIS A 16 8.653 6.642 6.213 1.00 0.00 C ATOM 236 CE1 HIS A 16 10.681 6.189 6.841 1.00 0.00 C ATOM 237 NE2 HIS A 16 9.541 5.644 6.497 1.00 0.00 N ATOM 0 H HIS A 16 10.789 10.467 5.408 1.00 0.00 H new ATOM 0 HA HIS A 16 8.466 9.251 4.198 1.00 0.00 H new ATOM 0 HB2 HIS A 16 9.330 9.815 7.058 1.00 0.00 H new ATOM 0 HB3 HIS A 16 7.729 9.212 6.681 1.00 0.00 H new ATOM 0 HD2 HIS A 16 7.630 6.511 5.893 1.00 0.00 H new ATOM 0 HE1 HIS A 16 11.578 5.655 7.118 1.00 0.00 H new ATOM 0 HE2 HIS A 16 9.349 4.643 6.449 1.00 0.00 H new ATOM 246 N ASN A 17 6.811 11.063 4.513 1.00 0.00 N ATOM 247 CA ASN A 17 5.782 12.041 4.653 1.00 0.00 C ATOM 248 C ASN A 17 4.645 11.396 5.322 1.00 0.00 C ATOM 249 O ASN A 17 4.418 10.179 5.136 1.00 0.00 O ATOM 250 CB ASN A 17 5.352 12.558 3.279 1.00 0.00 C ATOM 251 CG ASN A 17 6.304 13.597 2.722 1.00 0.00 C ATOM 252 OD1 ASN A 17 6.928 14.367 3.479 1.00 0.00 O ATOM 253 ND2 ASN A 17 6.429 13.638 1.424 1.00 0.00 N ATOM 0 H ASN A 17 6.549 10.281 3.912 1.00 0.00 H new ATOM 0 HA ASN A 17 6.142 12.889 5.236 1.00 0.00 H new ATOM 0 HB2 ASN A 17 5.287 11.721 2.584 1.00 0.00 H new ATOM 0 HB3 ASN A 17 4.353 12.989 3.353 1.00 0.00 H new ATOM 0 HD21 ASN A 17 7.055 14.318 0.993 1.00 0.00 H new ATOM 0 HD22 ASN A 17 5.900 12.990 0.840 1.00 0.00 H new ATOM 260 N GLY A 18 3.946 12.149 6.118 1.00 0.00 N ATOM 261 CA GLY A 18 2.797 11.616 6.772 1.00 0.00 C ATOM 262 C GLY A 18 1.667 11.403 5.793 1.00 0.00 C ATOM 263 O GLY A 18 1.791 11.758 4.604 1.00 0.00 O ATOM 0 H GLY A 18 4.152 13.126 6.327 1.00 0.00 H new ATOM 0 HA2 GLY A 18 3.052 10.670 7.250 1.00 0.00 H new ATOM 0 HA3 GLY A 18 2.476 12.295 7.562 1.00 0.00 H new ATOM 267 N PHE A 19 0.590 10.831 6.281 1.00 0.00 N ATOM 268 CA PHE A 19 -0.596 10.519 5.500 1.00 0.00 C ATOM 269 C PHE A 19 -1.083 11.799 4.883 1.00 0.00 C ATOM 270 O PHE A 19 -1.433 12.734 5.618 1.00 0.00 O ATOM 271 CB PHE A 19 -1.672 9.971 6.450 1.00 0.00 C ATOM 272 CG PHE A 19 -1.098 9.044 7.489 1.00 0.00 C ATOM 273 CD1 PHE A 19 -0.538 7.828 7.142 1.00 0.00 C ATOM 274 CD2 PHE A 19 -1.091 9.422 8.828 1.00 0.00 C ATOM 275 CE1 PHE A 19 0.020 7.020 8.108 1.00 0.00 C ATOM 276 CE2 PHE A 19 -0.547 8.610 9.792 1.00 0.00 C ATOM 277 CZ PHE A 19 0.014 7.411 9.435 1.00 0.00 C ATOM 0 H PHE A 19 0.508 10.560 7.261 1.00 0.00 H new ATOM 0 HA PHE A 19 -0.379 9.782 4.727 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -2.174 10.802 6.945 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -2.429 9.441 5.871 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -0.538 7.511 6.110 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -1.521 10.371 9.114 1.00 0.00 H new ATOM 0 HE1 PHE A 19 0.464 6.076 7.828 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -0.561 8.915 10.828 1.00 0.00 H new ATOM 0 HZ PHE A 19 0.451 6.773 10.189 1.00 0.00 H new ATOM 287 N ASP A 20 -1.065 11.887 3.560 1.00 0.00 N ATOM 288 CA ASP A 20 -1.437 13.111 2.895 1.00 0.00 C ATOM 289 C ASP A 20 -2.906 13.247 3.007 1.00 0.00 C ATOM 290 O ASP A 20 -3.658 12.301 2.644 1.00 0.00 O ATOM 291 CB ASP A 20 -1.053 13.067 1.421 1.00 0.00 C ATOM 292 CG ASP A 20 -1.040 14.444 0.795 1.00 0.00 C ATOM 293 OD1 ASP A 20 -2.115 15.015 0.550 1.00 0.00 O ATOM 294 OD2 ASP A 20 0.066 14.982 0.554 1.00 0.00 O ATOM 0 H ASP A 20 -0.797 11.126 2.936 1.00 0.00 H new ATOM 0 HA ASP A 20 -0.920 13.953 3.356 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -0.068 12.613 1.317 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -1.756 12.431 0.883 1.00 0.00 H new ATOM 299 N PHE A 21 -3.350 14.360 3.495 1.00 0.00 N ATOM 300 CA PHE A 21 -4.732 14.485 3.749 1.00 0.00 C ATOM 301 C PHE A 21 -5.538 14.527 2.486 1.00 0.00 C ATOM 302 O PHE A 21 -6.571 13.948 2.454 1.00 0.00 O ATOM 303 CB PHE A 21 -5.099 15.641 4.657 1.00 0.00 C ATOM 304 CG PHE A 21 -6.512 15.497 5.162 1.00 0.00 C ATOM 305 CD1 PHE A 21 -6.849 14.409 5.964 1.00 0.00 C ATOM 306 CD2 PHE A 21 -7.501 16.411 4.827 1.00 0.00 C ATOM 307 CE1 PHE A 21 -8.143 14.247 6.424 1.00 0.00 C ATOM 308 CE2 PHE A 21 -8.799 16.250 5.286 1.00 0.00 C ATOM 309 CZ PHE A 21 -9.119 15.164 6.083 1.00 0.00 C ATOM 0 H PHE A 21 -2.781 15.177 3.719 1.00 0.00 H new ATOM 0 HA PHE A 21 -4.990 13.578 4.296 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -4.409 15.681 5.500 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -4.995 16.582 4.116 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -6.093 13.685 6.229 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -7.257 17.257 4.202 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -8.391 13.403 7.050 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -9.559 16.970 5.022 1.00 0.00 H new ATOM 0 HZ PHE A 21 -10.131 15.034 6.438 1.00 0.00 H new ATOM 319 N ALA A 22 -5.038 15.169 1.428 1.00 0.00 N ATOM 320 CA ALA A 22 -5.788 15.271 0.165 1.00 0.00 C ATOM 321 C ALA A 22 -6.123 13.900 -0.369 1.00 0.00 C ATOM 322 O ALA A 22 -7.230 13.657 -0.880 1.00 0.00 O ATOM 323 CB ALA A 22 -5.002 16.031 -0.857 1.00 0.00 C ATOM 0 H ALA A 22 -4.125 15.624 1.415 1.00 0.00 H new ATOM 0 HA ALA A 22 -6.715 15.807 0.369 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -5.574 16.095 -1.783 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -4.799 17.036 -0.486 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -4.060 15.517 -1.048 1.00 0.00 H new ATOM 329 N VAL A 23 -5.174 13.016 -0.228 1.00 0.00 N ATOM 330 CA VAL A 23 -5.305 11.639 -0.612 1.00 0.00 C ATOM 331 C VAL A 23 -6.403 10.937 0.219 1.00 0.00 C ATOM 332 O VAL A 23 -7.415 10.471 -0.340 1.00 0.00 O ATOM 333 CB VAL A 23 -3.934 10.925 -0.439 1.00 0.00 C ATOM 334 CG1 VAL A 23 -4.034 9.425 -0.627 1.00 0.00 C ATOM 335 CG2 VAL A 23 -2.916 11.505 -1.408 1.00 0.00 C ATOM 0 H VAL A 23 -4.262 13.241 0.169 1.00 0.00 H new ATOM 0 HA VAL A 23 -5.605 11.586 -1.659 1.00 0.00 H new ATOM 0 HB VAL A 23 -3.608 11.101 0.586 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -3.050 8.975 -0.496 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -4.723 9.011 0.109 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -4.401 9.208 -1.630 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -1.960 10.998 -1.278 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -3.266 11.364 -2.431 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -2.792 12.570 -1.211 1.00 0.00 H new ATOM 345 N ILE A 24 -6.185 10.874 1.520 1.00 0.00 N ATOM 346 CA ILE A 24 -7.146 10.222 2.453 1.00 0.00 C ATOM 347 C ILE A 24 -8.569 10.824 2.273 1.00 0.00 C ATOM 348 O ILE A 24 -9.566 10.109 2.217 1.00 0.00 O ATOM 349 CB ILE A 24 -6.702 10.412 3.948 1.00 0.00 C ATOM 350 CG1 ILE A 24 -5.288 9.852 4.218 1.00 0.00 C ATOM 351 CG2 ILE A 24 -7.721 9.821 4.938 1.00 0.00 C ATOM 352 CD1 ILE A 24 -5.148 8.344 4.041 1.00 0.00 C ATOM 0 H ILE A 24 -5.358 11.260 1.975 1.00 0.00 H new ATOM 0 HA ILE A 24 -7.161 9.158 2.217 1.00 0.00 H new ATOM 0 HB ILE A 24 -6.665 11.489 4.114 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -4.583 10.348 3.550 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -4.999 10.112 5.236 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -7.370 9.977 5.958 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -8.684 10.314 4.806 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -7.832 8.753 4.752 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -4.121 8.047 4.252 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -5.822 7.833 4.728 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -5.400 8.073 3.016 1.00 0.00 H new ATOM 364 N LYS A 25 -8.606 12.143 2.175 1.00 0.00 N ATOM 365 CA LYS A 25 -9.801 12.976 2.016 1.00 0.00 C ATOM 366 C LYS A 25 -10.698 12.499 0.889 1.00 0.00 C ATOM 367 O LYS A 25 -11.872 12.164 1.124 1.00 0.00 O ATOM 368 CB LYS A 25 -9.327 14.430 1.753 1.00 0.00 C ATOM 369 CG LYS A 25 -10.368 15.503 1.692 1.00 0.00 C ATOM 370 CD LYS A 25 -9.717 16.871 1.403 1.00 0.00 C ATOM 371 CE LYS A 25 -9.285 17.012 -0.059 1.00 0.00 C ATOM 372 NZ LYS A 25 -8.711 18.351 -0.355 1.00 0.00 N ATOM 0 H LYS A 25 -7.753 12.701 2.206 1.00 0.00 H new ATOM 0 HA LYS A 25 -10.400 12.915 2.925 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -8.616 14.697 2.535 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -8.781 14.439 0.810 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -11.095 15.268 0.915 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -10.912 15.544 2.636 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -10.421 17.665 1.650 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -8.850 17.002 2.050 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -8.547 16.244 -0.292 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -10.144 16.837 -0.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -8.434 18.396 -1.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -9.422 19.084 -0.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -7.875 18.510 0.243 1.00 0.00 H new ATOM 386 N GLU A 26 -10.161 12.434 -0.321 1.00 0.00 N ATOM 387 CA GLU A 26 -10.976 12.083 -1.447 1.00 0.00 C ATOM 388 C GLU A 26 -11.320 10.608 -1.442 1.00 0.00 C ATOM 389 O GLU A 26 -12.405 10.238 -1.834 1.00 0.00 O ATOM 390 CB GLU A 26 -10.346 12.478 -2.789 1.00 0.00 C ATOM 391 CG GLU A 26 -9.124 11.671 -3.203 1.00 0.00 C ATOM 392 CD GLU A 26 -8.730 11.921 -4.640 1.00 0.00 C ATOM 393 OE1 GLU A 26 -9.486 11.550 -5.569 1.00 0.00 O ATOM 394 OE2 GLU A 26 -7.671 12.542 -4.868 1.00 0.00 O ATOM 0 H GLU A 26 -9.181 12.618 -0.534 1.00 0.00 H new ATOM 0 HA GLU A 26 -11.895 12.659 -1.342 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -11.103 12.383 -3.568 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -10.066 13.530 -2.743 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -8.288 11.922 -2.551 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -9.329 10.609 -3.064 1.00 0.00 H new ATOM 401 N LEU A 27 -10.386 9.769 -1.010 1.00 0.00 N ATOM 402 CA LEU A 27 -10.632 8.340 -0.988 1.00 0.00 C ATOM 403 C LEU A 27 -11.756 7.998 0.015 1.00 0.00 C ATOM 404 O LEU A 27 -12.553 7.100 -0.237 1.00 0.00 O ATOM 405 CB LEU A 27 -9.327 7.542 -0.746 1.00 0.00 C ATOM 406 CG LEU A 27 -9.390 6.010 -0.942 1.00 0.00 C ATOM 407 CD1 LEU A 27 -10.057 5.662 -2.247 1.00 0.00 C ATOM 408 CD2 LEU A 27 -7.986 5.424 -0.929 1.00 0.00 C ATOM 0 H LEU A 27 -9.465 10.052 -0.675 1.00 0.00 H new ATOM 0 HA LEU A 27 -10.986 8.031 -1.971 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -8.561 7.937 -1.413 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -8.994 7.739 0.273 1.00 0.00 H new ATOM 0 HG LEU A 27 -9.974 5.590 -0.123 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -10.089 4.579 -2.362 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -11.073 6.058 -2.253 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -9.493 6.097 -3.072 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -8.041 4.344 -1.068 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -7.401 5.864 -1.736 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -7.509 5.643 0.026 1.00 0.00 H new ATOM 420 N LYS A 28 -11.845 8.764 1.117 1.00 0.00 N ATOM 421 CA LYS A 28 -12.947 8.612 2.092 1.00 0.00 C ATOM 422 C LYS A 28 -14.262 9.099 1.467 1.00 0.00 C ATOM 423 O LYS A 28 -15.344 8.541 1.712 1.00 0.00 O ATOM 424 CB LYS A 28 -12.640 9.395 3.389 1.00 0.00 C ATOM 425 CG LYS A 28 -13.668 9.213 4.518 1.00 0.00 C ATOM 426 CD LYS A 28 -13.700 7.771 5.031 1.00 0.00 C ATOM 427 CE LYS A 28 -14.757 7.547 6.121 1.00 0.00 C ATOM 428 NZ LYS A 28 -14.537 8.382 7.338 1.00 0.00 N ATOM 0 H LYS A 28 -11.172 9.492 1.357 1.00 0.00 H new ATOM 0 HA LYS A 28 -13.046 7.558 2.351 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -11.661 9.089 3.757 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -12.572 10.456 3.148 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -13.427 9.886 5.341 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -14.658 9.492 4.157 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -13.898 7.098 4.196 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -12.718 7.509 5.425 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -15.743 7.767 5.712 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -14.757 6.495 6.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -15.264 8.159 8.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -13.595 8.181 7.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -14.598 9.389 7.084 1.00 0.00 H new ATOM 442 N THR A 29 -14.162 10.124 0.639 1.00 0.00 N ATOM 443 CA THR A 29 -15.309 10.651 -0.081 1.00 0.00 C ATOM 444 C THR A 29 -15.811 9.609 -1.080 1.00 0.00 C ATOM 445 O THR A 29 -16.987 9.254 -1.079 1.00 0.00 O ATOM 446 CB THR A 29 -14.945 11.968 -0.805 1.00 0.00 C ATOM 447 OG1 THR A 29 -14.467 12.930 0.155 1.00 0.00 O ATOM 448 CG2 THR A 29 -16.148 12.555 -1.534 1.00 0.00 C ATOM 0 H THR A 29 -13.288 10.613 0.447 1.00 0.00 H new ATOM 0 HA THR A 29 -16.103 10.871 0.633 1.00 0.00 H new ATOM 0 HB THR A 29 -14.171 11.743 -1.538 1.00 0.00 H new ATOM 0 HG1 THR A 29 -13.583 12.657 0.479 1.00 0.00 H new ATOM 0 HG21 THR A 29 -15.856 13.480 -2.032 1.00 0.00 H new ATOM 0 HG22 THR A 29 -16.508 11.842 -2.276 1.00 0.00 H new ATOM 0 HG23 THR A 29 -16.942 12.764 -0.817 1.00 0.00 H new ATOM 456 N ALA A 30 -14.915 9.125 -1.954 1.00 0.00 N ATOM 457 CA ALA A 30 -15.182 8.096 -2.901 1.00 0.00 C ATOM 458 C ALA A 30 -15.749 6.883 -2.224 1.00 0.00 C ATOM 459 O ALA A 30 -16.688 6.332 -2.698 1.00 0.00 O ATOM 460 CB ALA A 30 -13.909 7.748 -3.602 1.00 0.00 C ATOM 0 H ALA A 30 -13.956 9.470 -2.001 1.00 0.00 H new ATOM 0 HA ALA A 30 -15.919 8.451 -3.622 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -14.099 6.960 -4.331 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -13.522 8.630 -4.113 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -13.176 7.400 -2.874 1.00 0.00 H new ATOM 466 N ALA A 31 -15.126 6.442 -1.165 1.00 0.00 N ATOM 467 CA ALA A 31 -15.665 5.352 -0.366 1.00 0.00 C ATOM 468 C ALA A 31 -17.167 5.544 -0.072 1.00 0.00 C ATOM 469 O ALA A 31 -17.982 4.730 -0.479 1.00 0.00 O ATOM 470 CB ALA A 31 -14.902 5.256 0.935 1.00 0.00 C ATOM 0 H ALA A 31 -14.240 6.817 -0.826 1.00 0.00 H new ATOM 0 HA ALA A 31 -15.553 4.431 -0.937 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -15.305 4.440 1.534 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -13.849 5.067 0.726 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -15.001 6.192 1.485 1.00 0.00 H new ATOM 476 N SER A 32 -17.524 6.673 0.514 1.00 0.00 N ATOM 477 CA SER A 32 -18.885 6.900 0.980 1.00 0.00 C ATOM 478 C SER A 32 -19.904 7.151 -0.152 1.00 0.00 C ATOM 479 O SER A 32 -21.087 6.862 -0.004 1.00 0.00 O ATOM 480 CB SER A 32 -18.897 8.031 2.020 1.00 0.00 C ATOM 481 OG SER A 32 -18.189 9.187 1.554 1.00 0.00 O ATOM 0 H SER A 32 -16.888 7.453 0.680 1.00 0.00 H new ATOM 0 HA SER A 32 -19.217 5.974 1.449 1.00 0.00 H new ATOM 0 HB2 SER A 32 -19.927 8.303 2.250 1.00 0.00 H new ATOM 0 HB3 SER A 32 -18.446 7.677 2.947 1.00 0.00 H new ATOM 0 HG SER A 32 -17.230 9.074 1.723 1.00 0.00 H new ATOM 487 N GLN A 33 -19.443 7.679 -1.269 1.00 0.00 N ATOM 488 CA GLN A 33 -20.285 8.019 -2.418 1.00 0.00 C ATOM 489 C GLN A 33 -20.348 6.883 -3.425 1.00 0.00 C ATOM 490 O GLN A 33 -21.414 6.425 -3.822 1.00 0.00 O ATOM 491 CB GLN A 33 -19.682 9.246 -3.112 1.00 0.00 C ATOM 492 CG GLN A 33 -19.717 10.496 -2.311 1.00 0.00 C ATOM 493 CD GLN A 33 -21.058 11.124 -2.373 1.00 0.00 C ATOM 494 OE1 GLN A 33 -21.944 10.860 -1.549 1.00 0.00 O ATOM 495 NE2 GLN A 33 -21.240 11.943 -3.353 1.00 0.00 N ATOM 0 H GLN A 33 -18.456 7.891 -1.414 1.00 0.00 H new ATOM 0 HA GLN A 33 -21.295 8.215 -2.057 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -18.646 9.027 -3.371 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -20.216 9.416 -4.047 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -19.461 10.276 -1.275 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -18.967 11.193 -2.684 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -20.481 12.131 -4.008 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -22.143 12.403 -3.473 1.00 0.00 H new ATOM 504 N TYR A 34 -19.186 6.423 -3.751 1.00 0.00 N ATOM 505 CA TYR A 34 -18.892 5.542 -4.870 1.00 0.00 C ATOM 506 C TYR A 34 -18.694 4.094 -4.418 1.00 0.00 C ATOM 507 O TYR A 34 -19.177 3.160 -5.065 1.00 0.00 O ATOM 508 CB TYR A 34 -17.588 6.071 -5.542 1.00 0.00 C ATOM 509 CG TYR A 34 -17.750 7.289 -6.415 1.00 0.00 C ATOM 510 CD1 TYR A 34 -17.686 8.554 -5.877 1.00 0.00 C ATOM 511 CD2 TYR A 34 -17.965 7.168 -7.781 1.00 0.00 C ATOM 512 CE1 TYR A 34 -17.828 9.678 -6.655 1.00 0.00 C ATOM 513 CE2 TYR A 34 -18.107 8.284 -8.585 1.00 0.00 C ATOM 514 CZ TYR A 34 -18.038 9.541 -8.017 1.00 0.00 C ATOM 515 OH TYR A 34 -18.191 10.666 -8.809 1.00 0.00 O ATOM 0 H TYR A 34 -18.350 6.659 -3.217 1.00 0.00 H new ATOM 0 HA TYR A 34 -19.731 5.544 -5.566 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -16.865 6.301 -4.759 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -17.161 5.269 -6.144 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -17.520 8.666 -4.816 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -18.022 6.185 -8.224 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -17.776 10.660 -6.208 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -18.270 8.174 -9.647 1.00 0.00 H new ATOM 0 HH TYR A 34 -18.329 10.394 -9.740 1.00 0.00 H new ATOM 525 N GLY A 35 -17.980 3.905 -3.328 1.00 0.00 N ATOM 526 CA GLY A 35 -17.711 2.561 -2.859 1.00 0.00 C ATOM 527 C GLY A 35 -16.521 1.957 -3.566 1.00 0.00 C ATOM 528 O GLY A 35 -16.095 2.459 -4.618 1.00 0.00 O ATOM 0 H GLY A 35 -17.581 4.651 -2.758 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -17.527 2.579 -1.785 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -18.589 1.935 -3.021 1.00 0.00 H new ATOM 532 N ALA A 36 -15.990 0.891 -3.043 1.00 0.00 N ATOM 533 CA ALA A 36 -14.827 0.286 -3.645 1.00 0.00 C ATOM 534 C ALA A 36 -15.266 -0.798 -4.629 1.00 0.00 C ATOM 535 O ALA A 36 -15.319 -1.975 -4.319 1.00 0.00 O ATOM 536 CB ALA A 36 -13.866 -0.242 -2.597 1.00 0.00 C ATOM 0 H ALA A 36 -16.337 0.421 -2.207 1.00 0.00 H new ATOM 0 HA ALA A 36 -14.278 1.047 -4.199 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -13.002 -0.690 -3.088 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -13.536 0.578 -1.960 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -14.368 -0.994 -1.989 1.00 0.00 H new ATOM 542 N THR A 37 -15.534 -0.351 -5.824 1.00 0.00 N ATOM 543 CA THR A 37 -16.133 -1.138 -6.884 1.00 0.00 C ATOM 544 C THR A 37 -16.494 -0.165 -8.010 1.00 0.00 C ATOM 545 O THR A 37 -16.582 -0.533 -9.178 1.00 0.00 O ATOM 546 CB THR A 37 -17.396 -1.969 -6.411 1.00 0.00 C ATOM 547 OG1 THR A 37 -17.875 -2.823 -7.463 1.00 0.00 O ATOM 548 CG2 THR A 37 -18.526 -1.079 -5.919 1.00 0.00 C ATOM 0 H THR A 37 -15.336 0.609 -6.105 1.00 0.00 H new ATOM 0 HA THR A 37 -15.420 -1.890 -7.223 1.00 0.00 H new ATOM 0 HB THR A 37 -17.065 -2.581 -5.572 1.00 0.00 H new ATOM 0 HG1 THR A 37 -18.654 -3.327 -7.146 1.00 0.00 H new ATOM 0 HG21 THR A 37 -19.367 -1.698 -5.607 1.00 0.00 H new ATOM 0 HG22 THR A 37 -18.179 -0.485 -5.074 1.00 0.00 H new ATOM 0 HG23 THR A 37 -18.843 -0.415 -6.723 1.00 0.00 H new ATOM 556 N ALA A 38 -16.630 1.104 -7.642 1.00 0.00 N ATOM 557 CA ALA A 38 -16.843 2.157 -8.602 1.00 0.00 C ATOM 558 C ALA A 38 -15.467 2.678 -9.005 1.00 0.00 C ATOM 559 O ALA A 38 -14.600 2.826 -8.142 1.00 0.00 O ATOM 560 CB ALA A 38 -17.679 3.244 -7.991 1.00 0.00 C ATOM 0 H ALA A 38 -16.595 1.421 -6.673 1.00 0.00 H new ATOM 0 HA ALA A 38 -17.378 1.794 -9.480 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -17.836 4.037 -8.722 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -18.642 2.835 -7.687 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -17.166 3.651 -7.119 1.00 0.00 H new ATOM 566 N PRO A 39 -15.255 2.939 -10.307 1.00 0.00 N ATOM 567 CA PRO A 39 -13.945 3.282 -10.894 1.00 0.00 C ATOM 568 C PRO A 39 -13.140 4.340 -10.135 1.00 0.00 C ATOM 569 O PRO A 39 -11.934 4.188 -9.983 1.00 0.00 O ATOM 570 CB PRO A 39 -14.299 3.774 -12.310 1.00 0.00 C ATOM 571 CG PRO A 39 -15.781 3.934 -12.306 1.00 0.00 C ATOM 572 CD PRO A 39 -16.282 2.923 -11.342 1.00 0.00 C ATOM 0 HA PRO A 39 -13.286 2.415 -10.865 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -13.801 4.717 -12.536 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -13.982 3.057 -13.067 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -16.067 4.941 -12.003 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -16.197 3.770 -13.300 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -17.262 3.190 -10.946 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -16.381 1.939 -11.800 1.00 0.00 H new ATOM 580 N TYR A 40 -13.821 5.372 -9.632 1.00 0.00 N ATOM 581 CA TYR A 40 -13.164 6.478 -8.944 1.00 0.00 C ATOM 582 C TYR A 40 -12.312 5.985 -7.768 1.00 0.00 C ATOM 583 O TYR A 40 -11.076 6.066 -7.817 1.00 0.00 O ATOM 584 CB TYR A 40 -14.188 7.515 -8.456 1.00 0.00 C ATOM 585 CG TYR A 40 -13.568 8.811 -8.019 1.00 0.00 C ATOM 586 CD1 TYR A 40 -13.016 9.699 -8.941 1.00 0.00 C ATOM 587 CD2 TYR A 40 -13.517 9.143 -6.680 1.00 0.00 C ATOM 588 CE1 TYR A 40 -12.426 10.881 -8.515 1.00 0.00 C ATOM 589 CE2 TYR A 40 -12.926 10.316 -6.245 1.00 0.00 C ATOM 590 CZ TYR A 40 -12.389 11.182 -7.162 1.00 0.00 C ATOM 591 OH TYR A 40 -11.793 12.350 -6.727 1.00 0.00 O ATOM 0 H TYR A 40 -14.835 5.462 -9.691 1.00 0.00 H new ATOM 0 HA TYR A 40 -12.502 6.955 -9.667 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -14.901 7.714 -9.256 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -14.752 7.093 -7.624 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -13.048 9.465 -9.995 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -13.949 8.470 -5.954 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -11.998 11.563 -9.234 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -12.888 10.548 -5.191 1.00 0.00 H new ATOM 0 HH TYR A 40 -10.906 12.148 -6.362 1.00 0.00 H new ATOM 601 N THR A 41 -12.976 5.491 -6.724 1.00 0.00 N ATOM 602 CA THR A 41 -12.384 4.994 -5.484 1.00 0.00 C ATOM 603 C THR A 41 -11.120 4.122 -5.702 1.00 0.00 C ATOM 604 O THR A 41 -10.044 4.430 -5.181 1.00 0.00 O ATOM 605 CB THR A 41 -13.458 4.164 -4.786 1.00 0.00 C ATOM 606 OG1 THR A 41 -14.728 4.749 -5.090 1.00 0.00 O ATOM 607 CG2 THR A 41 -13.275 4.193 -3.290 1.00 0.00 C ATOM 0 H THR A 41 -13.994 5.423 -6.721 1.00 0.00 H new ATOM 0 HA THR A 41 -12.056 5.848 -4.891 1.00 0.00 H new ATOM 0 HB THR A 41 -13.392 3.131 -5.129 1.00 0.00 H new ATOM 0 HG1 THR A 41 -15.433 4.079 -4.972 1.00 0.00 H new ATOM 0 HG21 THR A 41 -14.053 3.594 -2.817 1.00 0.00 H new ATOM 0 HG22 THR A 41 -12.297 3.785 -3.035 1.00 0.00 H new ATOM 0 HG23 THR A 41 -13.342 5.221 -2.935 1.00 0.00 H new ATOM 615 N LEU A 42 -11.225 3.084 -6.493 1.00 0.00 N ATOM 616 CA LEU A 42 -10.078 2.204 -6.674 1.00 0.00 C ATOM 617 C LEU A 42 -8.999 2.755 -7.570 1.00 0.00 C ATOM 618 O LEU A 42 -7.854 2.360 -7.452 1.00 0.00 O ATOM 619 CB LEU A 42 -10.378 0.692 -6.897 1.00 0.00 C ATOM 620 CG LEU A 42 -11.483 0.259 -7.868 1.00 0.00 C ATOM 621 CD1 LEU A 42 -12.837 0.514 -7.255 1.00 0.00 C ATOM 622 CD2 LEU A 42 -11.358 0.938 -9.224 1.00 0.00 C ATOM 0 H LEU A 42 -12.064 2.825 -7.012 1.00 0.00 H new ATOM 0 HA LEU A 42 -9.647 2.206 -5.673 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -9.452 0.225 -7.233 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -10.617 0.263 -5.924 1.00 0.00 H new ATOM 0 HG LEU A 42 -11.370 -0.811 -8.045 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -13.616 0.204 -7.951 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -12.930 -0.054 -6.329 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -12.945 1.577 -7.040 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -12.163 0.599 -9.876 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -11.424 2.019 -9.097 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -10.397 0.684 -9.671 1.00 0.00 H new ATOM 634 N ALA A 43 -9.345 3.699 -8.426 1.00 0.00 N ATOM 635 CA ALA A 43 -8.339 4.343 -9.252 1.00 0.00 C ATOM 636 C ALA A 43 -7.409 5.143 -8.373 1.00 0.00 C ATOM 637 O ALA A 43 -6.221 5.287 -8.653 1.00 0.00 O ATOM 638 CB ALA A 43 -8.970 5.216 -10.310 1.00 0.00 C ATOM 0 H ALA A 43 -10.298 4.033 -8.567 1.00 0.00 H new ATOM 0 HA ALA A 43 -7.768 3.575 -9.773 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -8.189 5.683 -10.910 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -9.606 4.607 -10.952 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -9.571 5.990 -9.832 1.00 0.00 H new ATOM 644 N ILE A 44 -7.953 5.611 -7.281 1.00 0.00 N ATOM 645 CA ILE A 44 -7.187 6.323 -6.265 1.00 0.00 C ATOM 646 C ILE A 44 -6.285 5.311 -5.549 1.00 0.00 C ATOM 647 O ILE A 44 -5.096 5.544 -5.384 1.00 0.00 O ATOM 648 CB ILE A 44 -8.135 6.999 -5.252 1.00 0.00 C ATOM 649 CG1 ILE A 44 -9.111 7.908 -5.982 1.00 0.00 C ATOM 650 CG2 ILE A 44 -7.353 7.791 -4.191 1.00 0.00 C ATOM 651 CD1 ILE A 44 -10.285 8.315 -5.149 1.00 0.00 C ATOM 0 H ILE A 44 -8.944 5.514 -7.060 1.00 0.00 H new ATOM 0 HA ILE A 44 -6.583 7.101 -6.732 1.00 0.00 H new ATOM 0 HB ILE A 44 -8.692 6.218 -4.735 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -8.584 8.802 -6.314 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -9.469 7.399 -6.877 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -8.052 8.254 -3.494 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -6.692 7.116 -3.647 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -6.760 8.565 -4.678 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -10.939 8.962 -5.733 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -10.836 7.427 -4.839 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -9.937 8.852 -4.267 1.00 0.00 H new ATOM 663 N VAL A 45 -6.852 4.149 -5.216 1.00 0.00 N ATOM 664 CA VAL A 45 -6.113 3.061 -4.548 1.00 0.00 C ATOM 665 C VAL A 45 -4.878 2.676 -5.396 1.00 0.00 C ATOM 666 O VAL A 45 -3.743 2.565 -4.890 1.00 0.00 O ATOM 667 CB VAL A 45 -7.043 1.803 -4.346 1.00 0.00 C ATOM 668 CG1 VAL A 45 -6.286 0.615 -3.761 1.00 0.00 C ATOM 669 CG2 VAL A 45 -8.236 2.136 -3.458 1.00 0.00 C ATOM 0 H VAL A 45 -7.832 3.931 -5.398 1.00 0.00 H new ATOM 0 HA VAL A 45 -5.785 3.408 -3.568 1.00 0.00 H new ATOM 0 HB VAL A 45 -7.401 1.523 -5.337 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -6.968 -0.227 -3.640 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -5.476 0.333 -4.434 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -5.872 0.889 -2.791 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -8.858 1.249 -3.337 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -7.882 2.466 -2.482 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -8.822 2.931 -3.919 1.00 0.00 H new ATOM 679 N GLU A 46 -5.108 2.556 -6.695 1.00 0.00 N ATOM 680 CA GLU A 46 -4.074 2.198 -7.642 1.00 0.00 C ATOM 681 C GLU A 46 -3.028 3.300 -7.773 1.00 0.00 C ATOM 682 O GLU A 46 -1.827 3.034 -7.709 1.00 0.00 O ATOM 683 CB GLU A 46 -4.669 1.919 -9.016 1.00 0.00 C ATOM 684 CG GLU A 46 -5.727 0.854 -9.017 1.00 0.00 C ATOM 685 CD GLU A 46 -6.112 0.456 -10.410 1.00 0.00 C ATOM 686 OE1 GLU A 46 -5.228 0.024 -11.189 1.00 0.00 O ATOM 687 OE2 GLU A 46 -7.300 0.588 -10.766 1.00 0.00 O ATOM 0 H GLU A 46 -6.023 2.706 -7.119 1.00 0.00 H new ATOM 0 HA GLU A 46 -3.594 1.297 -7.260 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -5.096 2.841 -9.410 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -3.869 1.623 -9.694 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -5.364 -0.020 -8.476 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -6.607 1.215 -8.485 1.00 0.00 H new ATOM 694 N SER A 47 -3.474 4.526 -7.927 1.00 0.00 N ATOM 695 CA SER A 47 -2.564 5.620 -8.180 1.00 0.00 C ATOM 696 C SER A 47 -1.776 6.046 -6.946 1.00 0.00 C ATOM 697 O SER A 47 -0.647 6.523 -7.072 1.00 0.00 O ATOM 698 CB SER A 47 -3.290 6.793 -8.846 1.00 0.00 C ATOM 699 OG SER A 47 -4.447 7.165 -8.119 1.00 0.00 O ATOM 0 H SER A 47 -4.458 4.790 -7.882 1.00 0.00 H new ATOM 0 HA SER A 47 -1.815 5.252 -8.881 1.00 0.00 H new ATOM 0 HB2 SER A 47 -2.615 7.646 -8.920 1.00 0.00 H new ATOM 0 HB3 SER A 47 -3.570 6.519 -9.863 1.00 0.00 H new ATOM 0 HG SER A 47 -5.231 6.718 -8.501 1.00 0.00 H new ATOM 705 N VAL A 48 -2.340 5.869 -5.767 1.00 0.00 N ATOM 706 CA VAL A 48 -1.623 6.185 -4.546 1.00 0.00 C ATOM 707 C VAL A 48 -0.552 5.134 -4.292 1.00 0.00 C ATOM 708 O VAL A 48 0.557 5.450 -3.865 1.00 0.00 O ATOM 709 CB VAL A 48 -2.566 6.352 -3.323 1.00 0.00 C ATOM 710 CG1 VAL A 48 -1.770 6.618 -2.050 1.00 0.00 C ATOM 711 CG2 VAL A 48 -3.524 7.505 -3.567 1.00 0.00 C ATOM 0 H VAL A 48 -3.285 5.511 -5.628 1.00 0.00 H new ATOM 0 HA VAL A 48 -1.142 7.154 -4.682 1.00 0.00 H new ATOM 0 HB VAL A 48 -3.125 5.425 -3.196 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -2.455 6.731 -1.210 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -1.097 5.782 -1.860 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -1.188 7.532 -2.169 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -4.184 7.618 -2.707 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -2.957 8.424 -3.713 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -4.120 7.301 -4.457 1.00 0.00 H new ATOM 721 N ALA A 49 -0.858 3.903 -4.657 1.00 0.00 N ATOM 722 CA ALA A 49 0.081 2.803 -4.531 1.00 0.00 C ATOM 723 C ALA A 49 1.139 2.855 -5.623 1.00 0.00 C ATOM 724 O ALA A 49 2.081 2.136 -5.599 1.00 0.00 O ATOM 725 CB ALA A 49 -0.652 1.469 -4.539 1.00 0.00 C ATOM 0 H ALA A 49 -1.762 3.637 -5.048 1.00 0.00 H new ATOM 0 HA ALA A 49 0.593 2.903 -3.574 1.00 0.00 H new ATOM 0 HB1 ALA A 49 0.069 0.657 -4.444 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -1.351 1.433 -3.704 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -1.199 1.360 -5.475 1.00 0.00 H new ATOM 731 N ASP A 50 0.977 3.756 -6.564 1.00 0.00 N ATOM 732 CA ASP A 50 1.952 3.942 -7.657 1.00 0.00 C ATOM 733 C ASP A 50 3.170 4.759 -7.155 1.00 0.00 C ATOM 734 O ASP A 50 4.137 5.004 -7.877 1.00 0.00 O ATOM 735 CB ASP A 50 1.260 4.622 -8.860 1.00 0.00 C ATOM 736 CG ASP A 50 2.163 4.876 -10.046 1.00 0.00 C ATOM 737 OD1 ASP A 50 2.463 3.924 -10.804 1.00 0.00 O ATOM 738 OD2 ASP A 50 2.539 6.050 -10.275 1.00 0.00 O ATOM 0 H ASP A 50 0.176 4.386 -6.609 1.00 0.00 H new ATOM 0 HA ASP A 50 2.324 2.972 -7.987 1.00 0.00 H new ATOM 0 HB2 ASP A 50 0.426 3.999 -9.182 1.00 0.00 H new ATOM 0 HB3 ASP A 50 0.839 5.572 -8.531 1.00 0.00 H new ATOM 743 N ASN A 51 3.098 5.135 -5.893 1.00 0.00 N ATOM 744 CA ASN A 51 4.133 5.910 -5.219 1.00 0.00 C ATOM 745 C ASN A 51 4.909 5.000 -4.294 1.00 0.00 C ATOM 746 O ASN A 51 4.571 3.834 -4.141 1.00 0.00 O ATOM 747 CB ASN A 51 3.497 7.004 -4.347 1.00 0.00 C ATOM 748 CG ASN A 51 2.705 8.032 -5.109 1.00 0.00 C ATOM 749 OD1 ASN A 51 3.226 9.060 -5.536 1.00 0.00 O ATOM 750 ND2 ASN A 51 1.430 7.801 -5.227 1.00 0.00 N ATOM 0 H ASN A 51 2.305 4.908 -5.292 1.00 0.00 H new ATOM 0 HA ASN A 51 4.778 6.355 -5.977 1.00 0.00 H new ATOM 0 HB2 ASN A 51 2.843 6.531 -3.614 1.00 0.00 H new ATOM 0 HB3 ASN A 51 4.286 7.511 -3.791 1.00 0.00 H new ATOM 0 HD21 ASN A 51 0.828 8.485 -5.686 1.00 0.00 H new ATOM 0 HD22 ASN A 51 1.032 6.936 -4.860 1.00 0.00 H new ATOM 757 N TRP A 52 5.910 5.536 -3.650 1.00 0.00 N ATOM 758 CA TRP A 52 6.661 4.786 -2.679 1.00 0.00 C ATOM 759 C TRP A 52 6.017 4.975 -1.321 1.00 0.00 C ATOM 760 O TRP A 52 5.892 6.098 -0.840 1.00 0.00 O ATOM 761 CB TRP A 52 8.135 5.222 -2.642 1.00 0.00 C ATOM 762 CG TRP A 52 8.948 4.785 -3.837 1.00 0.00 C ATOM 763 CD1 TRP A 52 8.511 4.083 -4.917 1.00 0.00 C ATOM 764 CD2 TRP A 52 10.354 5.010 -4.056 1.00 0.00 C ATOM 765 NE1 TRP A 52 9.549 3.843 -5.781 1.00 0.00 N ATOM 766 CE2 TRP A 52 10.687 4.404 -5.277 1.00 0.00 C ATOM 767 CE3 TRP A 52 11.358 5.659 -3.337 1.00 0.00 C ATOM 768 CZ2 TRP A 52 11.970 4.425 -5.791 1.00 0.00 C ATOM 769 CZ3 TRP A 52 12.639 5.681 -3.858 1.00 0.00 C ATOM 770 CH2 TRP A 52 12.932 5.065 -5.071 1.00 0.00 C ATOM 0 H TRP A 52 6.227 6.497 -3.781 1.00 0.00 H new ATOM 0 HA TRP A 52 6.648 3.732 -2.957 1.00 0.00 H new ATOM 0 HB2 TRP A 52 8.177 6.309 -2.567 1.00 0.00 H new ATOM 0 HB3 TRP A 52 8.596 4.822 -1.739 1.00 0.00 H new ATOM 0 HD1 TRP A 52 7.492 3.761 -5.072 1.00 0.00 H new ATOM 0 HE1 TRP A 52 9.481 3.328 -6.659 1.00 0.00 H new ATOM 0 HE3 TRP A 52 11.139 6.135 -2.392 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 12.202 3.949 -6.733 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 13.425 6.185 -3.315 1.00 0.00 H new ATOM 0 HH2 TRP A 52 13.943 5.095 -5.449 1.00 0.00 H new ATOM 781 N LEU A 53 5.531 3.924 -0.754 1.00 0.00 N ATOM 782 CA LEU A 53 4.899 4.020 0.542 1.00 0.00 C ATOM 783 C LEU A 53 5.162 2.803 1.423 1.00 0.00 C ATOM 784 O LEU A 53 5.321 1.672 0.949 1.00 0.00 O ATOM 785 CB LEU A 53 3.387 4.453 0.460 1.00 0.00 C ATOM 786 CG LEU A 53 2.332 3.523 -0.214 1.00 0.00 C ATOM 787 CD1 LEU A 53 0.987 4.237 -0.308 1.00 0.00 C ATOM 788 CD2 LEU A 53 2.742 3.042 -1.595 1.00 0.00 C ATOM 0 H LEU A 53 5.553 2.986 -1.155 1.00 0.00 H new ATOM 0 HA LEU A 53 5.389 4.844 1.061 1.00 0.00 H new ATOM 0 HB2 LEU A 53 3.049 4.636 1.480 1.00 0.00 H new ATOM 0 HB3 LEU A 53 3.354 5.409 -0.063 1.00 0.00 H new ATOM 0 HG LEU A 53 2.255 2.641 0.422 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.258 3.579 -0.780 1.00 0.00 H new ATOM 0 HD12 LEU A 53 0.644 4.500 0.693 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.097 5.143 -0.904 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.961 2.400 -2.003 1.00 0.00 H new ATOM 0 HD22 LEU A 53 2.886 3.900 -2.251 1.00 0.00 H new ATOM 0 HD23 LEU A 53 3.673 2.480 -1.523 1.00 0.00 H new ATOM 800 N THR A 54 5.260 3.064 2.701 1.00 0.00 N ATOM 801 CA THR A 54 5.609 2.071 3.697 1.00 0.00 C ATOM 802 C THR A 54 4.325 1.338 4.194 1.00 0.00 C ATOM 803 O THR A 54 3.258 1.926 4.181 1.00 0.00 O ATOM 804 CB THR A 54 6.304 2.847 4.860 1.00 0.00 C ATOM 805 OG1 THR A 54 7.386 3.612 4.313 1.00 0.00 O ATOM 806 CG2 THR A 54 6.845 1.941 5.958 1.00 0.00 C ATOM 0 H THR A 54 5.097 3.992 3.092 1.00 0.00 H new ATOM 0 HA THR A 54 6.273 1.307 3.293 1.00 0.00 H new ATOM 0 HB THR A 54 5.548 3.482 5.321 1.00 0.00 H new ATOM 0 HG1 THR A 54 7.832 4.107 5.031 1.00 0.00 H new ATOM 0 HG21 THR A 54 7.314 2.548 6.732 1.00 0.00 H new ATOM 0 HG22 THR A 54 6.026 1.367 6.393 1.00 0.00 H new ATOM 0 HG23 THR A 54 7.582 1.258 5.536 1.00 0.00 H new ATOM 814 N PRO A 55 4.407 0.032 4.575 1.00 0.00 N ATOM 815 CA PRO A 55 3.268 -0.723 5.159 1.00 0.00 C ATOM 816 C PRO A 55 2.536 0.025 6.312 1.00 0.00 C ATOM 817 O PRO A 55 1.325 -0.096 6.455 1.00 0.00 O ATOM 818 CB PRO A 55 3.935 -1.995 5.671 1.00 0.00 C ATOM 819 CG PRO A 55 5.034 -2.226 4.692 1.00 0.00 C ATOM 820 CD PRO A 55 5.578 -0.858 4.378 1.00 0.00 C ATOM 0 HA PRO A 55 2.480 -0.889 4.425 1.00 0.00 H new ATOM 0 HB2 PRO A 55 4.319 -1.868 6.683 1.00 0.00 H new ATOM 0 HB3 PRO A 55 3.237 -2.832 5.697 1.00 0.00 H new ATOM 0 HG2 PRO A 55 5.807 -2.870 5.112 1.00 0.00 H new ATOM 0 HG3 PRO A 55 4.663 -2.718 3.793 1.00 0.00 H new ATOM 0 HD2 PRO A 55 6.401 -0.591 5.041 1.00 0.00 H new ATOM 0 HD3 PRO A 55 5.959 -0.801 3.358 1.00 0.00 H new ATOM 828 N THR A 56 3.272 0.798 7.102 1.00 0.00 N ATOM 829 CA THR A 56 2.707 1.609 8.179 1.00 0.00 C ATOM 830 C THR A 56 1.757 2.686 7.595 1.00 0.00 C ATOM 831 O THR A 56 0.620 2.922 8.093 1.00 0.00 O ATOM 832 CB THR A 56 3.872 2.315 8.856 1.00 0.00 C ATOM 833 OG1 THR A 56 4.966 1.387 8.917 1.00 0.00 O ATOM 834 CG2 THR A 56 3.502 2.764 10.258 1.00 0.00 C ATOM 0 H THR A 56 4.285 0.882 7.014 1.00 0.00 H new ATOM 0 HA THR A 56 2.147 0.982 8.873 1.00 0.00 H new ATOM 0 HB THR A 56 4.142 3.205 8.287 1.00 0.00 H new ATOM 0 HG1 THR A 56 5.735 1.815 9.348 1.00 0.00 H new ATOM 0 HG21 THR A 56 4.355 3.265 10.716 1.00 0.00 H new ATOM 0 HG22 THR A 56 2.659 3.453 10.209 1.00 0.00 H new ATOM 0 HG23 THR A 56 3.226 1.896 10.857 1.00 0.00 H new ATOM 842 N ASP A 57 2.215 3.284 6.492 1.00 0.00 N ATOM 843 CA ASP A 57 1.503 4.321 5.764 1.00 0.00 C ATOM 844 C ASP A 57 0.269 3.686 5.167 1.00 0.00 C ATOM 845 O ASP A 57 -0.844 4.206 5.288 1.00 0.00 O ATOM 846 CB ASP A 57 2.435 4.874 4.668 1.00 0.00 C ATOM 847 CG ASP A 57 2.018 6.207 4.061 1.00 0.00 C ATOM 848 OD1 ASP A 57 2.395 7.262 4.632 1.00 0.00 O ATOM 849 OD2 ASP A 57 1.436 6.238 2.981 1.00 0.00 O ATOM 0 H ASP A 57 3.116 3.049 6.075 1.00 0.00 H new ATOM 0 HA ASP A 57 1.207 5.148 6.410 1.00 0.00 H new ATOM 0 HB2 ASP A 57 3.435 4.983 5.088 1.00 0.00 H new ATOM 0 HB3 ASP A 57 2.504 4.137 3.868 1.00 0.00 H new ATOM 854 N TRP A 58 0.490 2.490 4.617 1.00 0.00 N ATOM 855 CA TRP A 58 -0.557 1.637 4.076 1.00 0.00 C ATOM 856 C TRP A 58 -1.669 1.373 5.082 1.00 0.00 C ATOM 857 O TRP A 58 -2.823 1.721 4.843 1.00 0.00 O ATOM 858 CB TRP A 58 0.016 0.279 3.640 1.00 0.00 C ATOM 859 CG TRP A 58 0.545 0.187 2.238 1.00 0.00 C ATOM 860 CD1 TRP A 58 0.416 1.103 1.242 1.00 0.00 C ATOM 861 CD2 TRP A 58 1.226 -0.931 1.663 1.00 0.00 C ATOM 862 NE1 TRP A 58 0.995 0.625 0.091 1.00 0.00 N ATOM 863 CE2 TRP A 58 1.491 -0.617 0.326 1.00 0.00 C ATOM 864 CE3 TRP A 58 1.637 -2.168 2.152 1.00 0.00 C ATOM 865 CZ2 TRP A 58 2.148 -1.487 -0.523 1.00 0.00 C ATOM 866 CZ3 TRP A 58 2.287 -3.030 1.303 1.00 0.00 C ATOM 867 CH2 TRP A 58 2.529 -2.689 -0.014 1.00 0.00 C ATOM 0 H TRP A 58 1.422 2.084 4.536 1.00 0.00 H new ATOM 0 HA TRP A 58 -0.970 2.174 3.222 1.00 0.00 H new ATOM 0 HB2 TRP A 58 0.821 0.014 4.325 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -0.764 -0.473 3.759 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -0.069 2.063 1.340 1.00 0.00 H new ATOM 0 HE1 TRP A 58 1.044 1.123 -0.798 1.00 0.00 H new ATOM 0 HE3 TRP A 58 1.448 -2.444 3.179 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 2.351 -1.223 -1.550 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 2.615 -3.991 1.671 1.00 0.00 H new ATOM 0 HH2 TRP A 58 3.034 -3.396 -0.656 1.00 0.00 H new ATOM 878 N ASN A 59 -1.323 0.746 6.187 1.00 0.00 N ATOM 879 CA ASN A 59 -2.307 0.326 7.201 1.00 0.00 C ATOM 880 C ASN A 59 -3.165 1.449 7.710 1.00 0.00 C ATOM 881 O ASN A 59 -4.364 1.269 7.922 1.00 0.00 O ATOM 882 CB ASN A 59 -1.651 -0.410 8.357 1.00 0.00 C ATOM 883 CG ASN A 59 -1.243 -1.810 7.983 1.00 0.00 C ATOM 884 OD1 ASN A 59 -1.885 -2.445 7.151 1.00 0.00 O ATOM 885 ND2 ASN A 59 -0.184 -2.296 8.570 1.00 0.00 N ATOM 0 H ASN A 59 -0.359 0.507 6.420 1.00 0.00 H new ATOM 0 HA ASN A 59 -2.972 -0.364 6.682 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -0.774 0.146 8.688 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -2.341 -0.448 9.200 1.00 0.00 H new ATOM 0 HD21 ASN A 59 0.139 -3.237 8.343 1.00 0.00 H new ATOM 0 HD22 ASN A 59 0.321 -1.735 9.256 1.00 0.00 H new ATOM 892 N THR A 60 -2.571 2.606 7.794 1.00 0.00 N ATOM 893 CA THR A 60 -3.338 3.735 8.276 1.00 0.00 C ATOM 894 C THR A 60 -4.279 4.269 7.169 1.00 0.00 C ATOM 895 O THR A 60 -5.448 4.639 7.433 1.00 0.00 O ATOM 896 CB THR A 60 -2.423 4.839 8.803 1.00 0.00 C ATOM 897 OG1 THR A 60 -1.421 4.229 9.646 1.00 0.00 O ATOM 898 CG2 THR A 60 -3.228 5.835 9.635 1.00 0.00 C ATOM 0 H THR A 60 -1.600 2.796 7.548 1.00 0.00 H new ATOM 0 HA THR A 60 -3.954 3.395 9.108 1.00 0.00 H new ATOM 0 HB THR A 60 -1.962 5.365 7.967 1.00 0.00 H new ATOM 0 HG1 THR A 60 -0.745 3.793 9.087 1.00 0.00 H new ATOM 0 HG21 THR A 60 -2.566 6.618 10.006 1.00 0.00 H new ATOM 0 HG22 THR A 60 -4.006 6.281 9.016 1.00 0.00 H new ATOM 0 HG23 THR A 60 -3.687 5.318 10.478 1.00 0.00 H new ATOM 906 N LEU A 61 -3.796 4.214 5.930 1.00 0.00 N ATOM 907 CA LEU A 61 -4.536 4.689 4.783 1.00 0.00 C ATOM 908 C LEU A 61 -5.827 3.879 4.657 1.00 0.00 C ATOM 909 O LEU A 61 -6.914 4.439 4.742 1.00 0.00 O ATOM 910 CB LEU A 61 -3.635 4.572 3.514 1.00 0.00 C ATOM 911 CG LEU A 61 -4.121 5.215 2.195 1.00 0.00 C ATOM 912 CD1 LEU A 61 -2.977 5.282 1.218 1.00 0.00 C ATOM 913 CD2 LEU A 61 -5.261 4.447 1.562 1.00 0.00 C ATOM 0 H LEU A 61 -2.877 3.836 5.702 1.00 0.00 H new ATOM 0 HA LEU A 61 -4.811 5.737 4.897 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -2.666 5.007 3.756 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -3.469 3.512 3.323 1.00 0.00 H new ATOM 0 HG LEU A 61 -4.485 6.213 2.438 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -3.319 5.735 0.288 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -2.172 5.884 1.641 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -2.610 4.275 1.018 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -5.564 4.941 0.639 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -4.936 3.431 1.340 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -6.105 4.415 2.251 1.00 0.00 H new ATOM 925 N VAL A 62 -5.684 2.555 4.600 1.00 0.00 N ATOM 926 CA VAL A 62 -6.825 1.637 4.377 1.00 0.00 C ATOM 927 C VAL A 62 -7.847 1.754 5.494 1.00 0.00 C ATOM 928 O VAL A 62 -9.045 1.940 5.254 1.00 0.00 O ATOM 929 CB VAL A 62 -6.362 0.131 4.208 1.00 0.00 C ATOM 930 CG1 VAL A 62 -5.450 -0.322 5.352 1.00 0.00 C ATOM 931 CG2 VAL A 62 -7.562 -0.789 4.122 1.00 0.00 C ATOM 0 H VAL A 62 -4.787 2.082 4.705 1.00 0.00 H new ATOM 0 HA VAL A 62 -7.293 1.942 3.441 1.00 0.00 H new ATOM 0 HB VAL A 62 -5.793 0.076 3.280 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -5.157 -1.360 5.195 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -4.560 0.306 5.378 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -5.983 -0.235 6.299 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -7.224 -1.819 4.006 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -8.153 -0.702 5.033 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -8.174 -0.510 3.264 1.00 0.00 H new ATOM 941 N ARG A 63 -7.345 1.706 6.699 1.00 0.00 N ATOM 942 CA ARG A 63 -8.205 1.717 7.887 1.00 0.00 C ATOM 943 C ARG A 63 -8.989 3.025 8.073 1.00 0.00 C ATOM 944 O ARG A 63 -9.976 3.059 8.825 1.00 0.00 O ATOM 945 CB ARG A 63 -7.449 1.370 9.160 1.00 0.00 C ATOM 946 CG ARG A 63 -6.486 2.425 9.620 1.00 0.00 C ATOM 947 CD ARG A 63 -5.815 2.003 10.901 1.00 0.00 C ATOM 948 NE ARG A 63 -6.784 1.908 12.017 1.00 0.00 N ATOM 949 CZ ARG A 63 -6.604 1.237 13.160 1.00 0.00 C ATOM 950 NH1 ARG A 63 -5.512 0.514 13.348 1.00 0.00 N ATOM 951 NH2 ARG A 63 -7.551 1.248 14.096 1.00 0.00 N ATOM 0 H ARG A 63 -6.346 1.659 6.900 1.00 0.00 H new ATOM 0 HA ARG A 63 -8.936 0.931 7.698 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -8.170 1.182 9.956 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -6.901 0.441 9.000 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -5.735 2.601 8.850 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -7.014 3.367 9.772 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -5.329 1.038 10.757 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -5.034 2.719 11.156 1.00 0.00 H new ATOM 0 HE ARG A 63 -7.670 2.400 11.903 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -4.801 0.466 12.619 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -5.382 0.005 14.222 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -8.415 1.768 13.942 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -7.413 0.736 14.967 1.00 0.00 H new ATOM 965 N ALA A 64 -8.555 4.091 7.434 1.00 0.00 N ATOM 966 CA ALA A 64 -9.257 5.344 7.571 1.00 0.00 C ATOM 967 C ALA A 64 -10.186 5.608 6.383 1.00 0.00 C ATOM 968 O ALA A 64 -11.358 5.907 6.565 1.00 0.00 O ATOM 969 CB ALA A 64 -8.273 6.486 7.762 1.00 0.00 C ATOM 0 H ALA A 64 -7.736 4.114 6.827 1.00 0.00 H new ATOM 0 HA ALA A 64 -9.885 5.278 8.459 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -8.819 7.424 7.864 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -7.682 6.311 8.661 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -7.611 6.544 6.898 1.00 0.00 H new ATOM 975 N VAL A 65 -9.622 5.522 5.200 1.00 0.00 N ATOM 976 CA VAL A 65 -10.368 5.812 3.945 1.00 0.00 C ATOM 977 C VAL A 65 -11.654 4.985 3.774 1.00 0.00 C ATOM 978 O VAL A 65 -12.618 5.465 3.202 1.00 0.00 O ATOM 979 CB VAL A 65 -9.490 5.698 2.682 1.00 0.00 C ATOM 980 CG1 VAL A 65 -8.331 6.678 2.783 1.00 0.00 C ATOM 981 CG2 VAL A 65 -8.997 4.266 2.489 1.00 0.00 C ATOM 0 H VAL A 65 -8.648 5.255 5.055 1.00 0.00 H new ATOM 0 HA VAL A 65 -10.671 6.853 4.057 1.00 0.00 H new ATOM 0 HB VAL A 65 -10.086 5.952 1.805 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -7.709 6.599 1.891 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -8.719 7.693 2.866 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -7.733 6.445 3.664 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -8.380 4.211 1.592 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -8.407 3.965 3.354 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -9.852 3.598 2.383 1.00 0.00 H new ATOM 991 N LEU A 66 -11.657 3.766 4.247 1.00 0.00 N ATOM 992 CA LEU A 66 -12.843 2.931 4.211 1.00 0.00 C ATOM 993 C LEU A 66 -13.220 2.571 5.641 1.00 0.00 C ATOM 994 O LEU A 66 -12.471 2.867 6.570 1.00 0.00 O ATOM 995 CB LEU A 66 -12.613 1.665 3.365 1.00 0.00 C ATOM 996 CG LEU A 66 -12.947 1.709 1.853 1.00 0.00 C ATOM 997 CD1 LEU A 66 -14.424 1.832 1.626 1.00 0.00 C ATOM 998 CD2 LEU A 66 -12.230 2.827 1.159 1.00 0.00 C ATOM 0 H LEU A 66 -10.843 3.319 4.668 1.00 0.00 H new ATOM 0 HA LEU A 66 -13.659 3.479 3.740 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -11.563 1.388 3.464 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -13.198 0.860 3.809 1.00 0.00 H new ATOM 0 HG LEU A 66 -12.604 0.766 1.427 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -14.626 1.860 0.555 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -14.933 0.976 2.069 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -14.788 2.749 2.089 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -12.490 2.824 0.101 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -12.524 3.778 1.603 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -11.154 2.692 1.268 1.00 0.00 H new ATOM 1010 N SER A 67 -14.343 1.959 5.824 1.00 0.00 N ATOM 1011 CA SER A 67 -14.784 1.639 7.157 1.00 0.00 C ATOM 1012 C SER A 67 -15.441 0.269 7.214 1.00 0.00 C ATOM 1013 O SER A 67 -16.452 0.022 6.551 1.00 0.00 O ATOM 1014 CB SER A 67 -15.757 2.726 7.658 1.00 0.00 C ATOM 1015 OG SER A 67 -16.167 2.496 8.988 1.00 0.00 O ATOM 0 H SER A 67 -14.975 1.668 5.078 1.00 0.00 H new ATOM 0 HA SER A 67 -13.910 1.609 7.808 1.00 0.00 H new ATOM 0 HB2 SER A 67 -15.276 3.702 7.590 1.00 0.00 H new ATOM 0 HB3 SER A 67 -16.632 2.756 7.009 1.00 0.00 H new ATOM 0 HG SER A 67 -16.781 3.207 9.269 1.00 0.00 H new ATOM 1021 N GLY A 68 -14.823 -0.635 7.958 1.00 0.00 N ATOM 1022 CA GLY A 68 -15.392 -1.945 8.220 1.00 0.00 C ATOM 1023 C GLY A 68 -15.161 -2.901 7.077 1.00 0.00 C ATOM 1024 O GLY A 68 -14.562 -3.968 7.244 1.00 0.00 O ATOM 0 H GLY A 68 -13.915 -0.480 8.396 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -14.954 -2.355 9.130 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -16.463 -1.846 8.399 1.00 0.00 H new ATOM 1028 N GLY A 69 -15.614 -2.504 5.922 1.00 0.00 N ATOM 1029 CA GLY A 69 -15.466 -3.295 4.739 1.00 0.00 C ATOM 1030 C GLY A 69 -14.010 -3.448 4.349 1.00 0.00 C ATOM 1031 O GLY A 69 -13.597 -4.536 3.953 1.00 0.00 O ATOM 0 H GLY A 69 -16.098 -1.618 5.776 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -15.905 -4.279 4.901 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -16.016 -2.832 3.920 1.00 0.00 H new ATOM 1035 N ASP A 70 -13.234 -2.363 4.512 1.00 0.00 N ATOM 1036 CA ASP A 70 -11.815 -2.301 4.139 1.00 0.00 C ATOM 1037 C ASP A 70 -11.049 -3.535 4.543 1.00 0.00 C ATOM 1038 O ASP A 70 -10.466 -4.207 3.675 1.00 0.00 O ATOM 1039 CB ASP A 70 -11.138 -1.048 4.727 1.00 0.00 C ATOM 1040 CG ASP A 70 -11.030 -1.016 6.253 1.00 0.00 C ATOM 1041 OD1 ASP A 70 -12.028 -0.673 6.926 1.00 0.00 O ATOM 1042 OD2 ASP A 70 -9.958 -1.358 6.792 1.00 0.00 O ATOM 0 H ASP A 70 -13.583 -1.492 4.913 1.00 0.00 H new ATOM 0 HA ASP A 70 -11.792 -2.244 3.051 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -10.136 -0.966 4.307 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -11.693 -0.169 4.400 1.00 0.00 H new ATOM 1047 N HIS A 71 -11.112 -3.884 5.819 1.00 0.00 N ATOM 1048 CA HIS A 71 -10.388 -5.003 6.326 1.00 0.00 C ATOM 1049 C HIS A 71 -10.773 -6.281 5.611 1.00 0.00 C ATOM 1050 O HIS A 71 -9.907 -6.952 5.062 1.00 0.00 O ATOM 1051 CB HIS A 71 -10.564 -5.160 7.840 1.00 0.00 C ATOM 1052 CG HIS A 71 -9.660 -6.222 8.431 1.00 0.00 C ATOM 1053 ND1 HIS A 71 -10.048 -7.521 8.636 1.00 0.00 N ATOM 1054 CD2 HIS A 71 -8.364 -6.161 8.824 1.00 0.00 C ATOM 1055 CE1 HIS A 71 -9.038 -8.215 9.119 1.00 0.00 C ATOM 1056 NE2 HIS A 71 -8.005 -7.420 9.245 1.00 0.00 N ATOM 0 H HIS A 71 -11.669 -3.391 6.517 1.00 0.00 H new ATOM 0 HA HIS A 71 -9.333 -4.808 6.133 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -10.360 -4.205 8.325 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -11.602 -5.412 8.056 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -7.731 -5.286 8.809 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -9.058 -9.265 9.370 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -7.086 -7.690 9.597 1.00 0.00 H new ATOM 1065 N LEU A 72 -12.062 -6.562 5.548 1.00 0.00 N ATOM 1066 CA LEU A 72 -12.519 -7.810 4.991 1.00 0.00 C ATOM 1067 C LEU A 72 -12.061 -8.058 3.542 1.00 0.00 C ATOM 1068 O LEU A 72 -11.335 -9.015 3.292 1.00 0.00 O ATOM 1069 CB LEU A 72 -14.031 -8.131 5.316 1.00 0.00 C ATOM 1070 CG LEU A 72 -15.137 -7.059 5.064 1.00 0.00 C ATOM 1071 CD1 LEU A 72 -15.544 -6.948 3.596 1.00 0.00 C ATOM 1072 CD2 LEU A 72 -16.359 -7.336 5.927 1.00 0.00 C ATOM 0 H LEU A 72 -12.803 -5.943 5.875 1.00 0.00 H new ATOM 0 HA LEU A 72 -11.986 -8.591 5.534 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -14.303 -9.016 4.741 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -14.083 -8.406 6.369 1.00 0.00 H new ATOM 0 HG LEU A 72 -14.702 -6.100 5.344 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -16.316 -6.186 3.489 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -14.676 -6.672 2.998 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -15.931 -7.907 3.252 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -17.118 -6.578 5.737 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -16.760 -8.320 5.685 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -16.075 -7.309 6.979 1.00 0.00 H new ATOM 1084 N LEU A 73 -12.375 -7.193 2.618 1.00 0.00 N ATOM 1085 CA LEU A 73 -11.910 -7.448 1.268 1.00 0.00 C ATOM 1086 C LEU A 73 -10.539 -6.945 0.952 1.00 0.00 C ATOM 1087 O LEU A 73 -9.702 -7.748 0.625 1.00 0.00 O ATOM 1088 CB LEU A 73 -12.918 -7.211 0.143 1.00 0.00 C ATOM 1089 CG LEU A 73 -13.850 -8.404 -0.235 1.00 0.00 C ATOM 1090 CD1 LEU A 73 -13.050 -9.654 -0.573 1.00 0.00 C ATOM 1091 CD2 LEU A 73 -14.868 -8.711 0.830 1.00 0.00 C ATOM 0 H LEU A 73 -12.923 -6.343 2.754 1.00 0.00 H new ATOM 0 HA LEU A 73 -11.809 -8.533 1.295 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -13.546 -6.366 0.424 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -12.366 -6.916 -0.750 1.00 0.00 H new ATOM 0 HG LEU A 73 -14.395 -8.086 -1.124 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -13.732 -10.464 -0.831 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -12.394 -9.449 -1.419 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -12.450 -9.946 0.289 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -15.487 -9.549 0.511 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -14.357 -8.970 1.758 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -15.498 -7.837 0.994 1.00 0.00 H new ATOM 1103 N TRP A 74 -10.281 -5.644 1.082 1.00 0.00 N ATOM 1104 CA TRP A 74 -8.978 -5.098 0.765 1.00 0.00 C ATOM 1105 C TRP A 74 -7.875 -5.870 1.525 1.00 0.00 C ATOM 1106 O TRP A 74 -6.869 -6.264 0.996 1.00 0.00 O ATOM 1107 CB TRP A 74 -8.882 -3.589 1.169 1.00 0.00 C ATOM 1108 CG TRP A 74 -9.628 -2.495 0.340 1.00 0.00 C ATOM 1109 CD1 TRP A 74 -10.659 -2.607 -0.557 1.00 0.00 C ATOM 1110 CD2 TRP A 74 -9.293 -1.105 0.339 1.00 0.00 C ATOM 1111 NE1 TRP A 74 -11.048 -1.367 -1.008 1.00 0.00 N ATOM 1112 CE2 TRP A 74 -10.218 -0.425 -0.467 1.00 0.00 C ATOM 1113 CE3 TRP A 74 -8.317 -0.397 0.973 1.00 0.00 C ATOM 1114 CZ2 TRP A 74 -10.186 0.956 -0.635 1.00 0.00 C ATOM 1115 CZ3 TRP A 74 -8.257 0.999 0.818 1.00 0.00 C ATOM 1116 CH2 TRP A 74 -9.202 1.661 0.025 1.00 0.00 C ATOM 0 H TRP A 74 -10.961 -4.956 1.405 1.00 0.00 H new ATOM 0 HA TRP A 74 -8.839 -5.196 -0.312 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -9.234 -3.509 2.197 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -7.825 -3.324 1.173 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -11.105 -3.541 -0.867 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -11.826 -1.181 -1.641 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -7.593 -0.906 1.592 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -10.908 1.459 -1.261 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -7.479 1.563 1.312 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -9.160 2.736 -0.071 1.00 0.00 H new ATOM 1127 N LYS A 75 -8.117 -6.082 2.752 1.00 0.00 N ATOM 1128 CA LYS A 75 -7.130 -6.615 3.633 1.00 0.00 C ATOM 1129 C LYS A 75 -7.033 -8.116 3.737 1.00 0.00 C ATOM 1130 O LYS A 75 -5.922 -8.627 3.793 1.00 0.00 O ATOM 1131 CB LYS A 75 -7.091 -5.889 4.930 1.00 0.00 C ATOM 1132 CG LYS A 75 -6.945 -4.400 4.706 1.00 0.00 C ATOM 1133 CD LYS A 75 -5.559 -4.008 4.181 1.00 0.00 C ATOM 1134 CE LYS A 75 -4.590 -3.958 5.368 1.00 0.00 C ATOM 1135 NZ LYS A 75 -3.225 -3.495 5.064 1.00 0.00 N ATOM 0 H LYS A 75 -9.016 -5.892 3.195 1.00 0.00 H new ATOM 0 HA LYS A 75 -6.188 -6.406 3.126 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -8.003 -6.089 5.492 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -6.259 -6.254 5.532 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -7.704 -4.068 3.997 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -7.134 -3.877 5.643 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -5.215 -4.730 3.441 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -5.601 -3.039 3.685 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -5.013 -3.304 6.131 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -4.526 -4.956 5.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -2.856 -2.949 5.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -2.610 -4.316 4.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -3.243 -2.892 4.217 1.00 0.00 H new ATOM 1149 N SER A 76 -8.142 -8.852 3.778 1.00 0.00 N ATOM 1150 CA SER A 76 -7.993 -10.294 3.839 1.00 0.00 C ATOM 1151 C SER A 76 -7.410 -10.813 2.529 1.00 0.00 C ATOM 1152 O SER A 76 -6.622 -11.785 2.507 1.00 0.00 O ATOM 1153 CB SER A 76 -9.277 -10.980 4.249 1.00 0.00 C ATOM 1154 OG SER A 76 -9.713 -10.466 5.505 1.00 0.00 O ATOM 0 H SER A 76 -9.098 -8.496 3.771 1.00 0.00 H new ATOM 0 HA SER A 76 -7.282 -10.544 4.626 1.00 0.00 H new ATOM 0 HB2 SER A 76 -10.045 -10.819 3.492 1.00 0.00 H new ATOM 0 HB3 SER A 76 -9.120 -12.056 4.320 1.00 0.00 H new ATOM 0 HG SER A 76 -10.546 -10.910 5.769 1.00 0.00 H new ATOM 1160 N GLU A 77 -7.713 -10.107 1.458 1.00 0.00 N ATOM 1161 CA GLU A 77 -7.106 -10.394 0.193 1.00 0.00 C ATOM 1162 C GLU A 77 -5.641 -9.991 0.254 1.00 0.00 C ATOM 1163 O GLU A 77 -4.802 -10.654 -0.326 1.00 0.00 O ATOM 1164 CB GLU A 77 -7.812 -9.662 -0.947 1.00 0.00 C ATOM 1165 CG GLU A 77 -9.260 -10.066 -1.181 1.00 0.00 C ATOM 1166 CD GLU A 77 -9.417 -11.414 -1.812 1.00 0.00 C ATOM 1167 OE1 GLU A 77 -9.453 -11.480 -3.063 1.00 0.00 O ATOM 1168 OE2 GLU A 77 -9.535 -12.409 -1.092 1.00 0.00 O ATOM 0 H GLU A 77 -8.377 -9.333 1.448 1.00 0.00 H new ATOM 0 HA GLU A 77 -7.194 -11.462 -0.007 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -7.779 -8.591 -0.745 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -7.252 -9.830 -1.867 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -9.788 -10.058 -0.228 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -9.737 -9.320 -1.816 1.00 0.00 H new ATOM 1175 N PHE A 78 -5.327 -8.908 0.998 1.00 0.00 N ATOM 1176 CA PHE A 78 -3.944 -8.470 1.139 1.00 0.00 C ATOM 1177 C PHE A 78 -3.132 -9.555 1.792 1.00 0.00 C ATOM 1178 O PHE A 78 -2.038 -9.874 1.336 1.00 0.00 O ATOM 1179 CB PHE A 78 -3.845 -7.159 1.960 1.00 0.00 C ATOM 1180 CG PHE A 78 -2.445 -6.648 2.124 1.00 0.00 C ATOM 1181 CD1 PHE A 78 -1.807 -6.026 1.080 1.00 0.00 C ATOM 1182 CD2 PHE A 78 -1.768 -6.798 3.329 1.00 0.00 C ATOM 1183 CE1 PHE A 78 -0.516 -5.562 1.220 1.00 0.00 C ATOM 1184 CE2 PHE A 78 -0.484 -6.339 3.479 1.00 0.00 C ATOM 1185 CZ PHE A 78 0.150 -5.722 2.419 1.00 0.00 C ATOM 0 H PHE A 78 -6.008 -8.337 1.498 1.00 0.00 H new ATOM 0 HA PHE A 78 -3.548 -8.268 0.144 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -4.447 -6.391 1.474 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -4.278 -7.326 2.946 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -2.321 -5.899 0.139 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -2.260 -7.283 4.159 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -0.025 -5.073 0.391 1.00 0.00 H new ATOM 0 HE2 PHE A 78 0.029 -6.460 4.422 1.00 0.00 H new ATOM 0 HZ PHE A 78 1.164 -5.366 2.527 1.00 0.00 H new ATOM 1195 N PHE A 79 -3.693 -10.127 2.824 1.00 0.00 N ATOM 1196 CA PHE A 79 -3.058 -11.177 3.599 1.00 0.00 C ATOM 1197 C PHE A 79 -2.620 -12.334 2.707 1.00 0.00 C ATOM 1198 O PHE A 79 -1.389 -12.623 2.559 1.00 0.00 O ATOM 1199 CB PHE A 79 -4.030 -11.683 4.647 1.00 0.00 C ATOM 1200 CG PHE A 79 -4.427 -10.667 5.695 1.00 0.00 C ATOM 1201 CD1 PHE A 79 -3.610 -9.577 6.002 1.00 0.00 C ATOM 1202 CD2 PHE A 79 -5.629 -10.795 6.358 1.00 0.00 C ATOM 1203 CE1 PHE A 79 -4.003 -8.647 6.943 1.00 0.00 C ATOM 1204 CE2 PHE A 79 -6.018 -9.876 7.294 1.00 0.00 C ATOM 1205 CZ PHE A 79 -5.207 -8.802 7.589 1.00 0.00 C ATOM 0 H PHE A 79 -4.622 -9.876 3.162 1.00 0.00 H new ATOM 0 HA PHE A 79 -2.171 -10.763 4.078 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -4.931 -12.036 4.145 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -3.586 -12.544 5.147 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -2.662 -9.461 5.498 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -6.273 -11.633 6.135 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -3.369 -7.803 7.171 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -6.963 -9.993 7.803 1.00 0.00 H new ATOM 0 HZ PHE A 79 -5.518 -8.080 8.330 1.00 0.00 H new ATOM 1215 N GLU A 80 -3.592 -12.931 2.035 1.00 0.00 N ATOM 1216 CA GLU A 80 -3.311 -14.061 1.196 1.00 0.00 C ATOM 1217 C GLU A 80 -2.449 -13.675 -0.002 1.00 0.00 C ATOM 1218 O GLU A 80 -1.464 -14.342 -0.267 1.00 0.00 O ATOM 1219 CB GLU A 80 -4.585 -14.796 0.782 1.00 0.00 C ATOM 1220 CG GLU A 80 -5.633 -13.921 0.156 1.00 0.00 C ATOM 1221 CD GLU A 80 -6.818 -14.707 -0.295 1.00 0.00 C ATOM 1222 OE1 GLU A 80 -7.737 -14.931 0.513 1.00 0.00 O ATOM 1223 OE2 GLU A 80 -6.851 -15.150 -1.468 1.00 0.00 O ATOM 0 H GLU A 80 -4.571 -12.647 2.060 1.00 0.00 H new ATOM 0 HA GLU A 80 -2.727 -14.764 1.789 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -4.321 -15.586 0.079 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -5.012 -15.281 1.660 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -5.951 -13.165 0.874 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -5.203 -13.392 -0.695 1.00 0.00 H new ATOM 1230 N ASN A 81 -2.767 -12.541 -0.656 1.00 0.00 N ATOM 1231 CA ASN A 81 -2.043 -12.095 -1.854 1.00 0.00 C ATOM 1232 C ASN A 81 -0.581 -11.837 -1.599 1.00 0.00 C ATOM 1233 O ASN A 81 0.257 -12.162 -2.449 1.00 0.00 O ATOM 1234 CB ASN A 81 -2.655 -10.849 -2.534 1.00 0.00 C ATOM 1235 CG ASN A 81 -3.958 -11.106 -3.260 1.00 0.00 C ATOM 1236 OD1 ASN A 81 -4.214 -12.199 -3.748 1.00 0.00 O ATOM 1237 ND2 ASN A 81 -4.775 -10.084 -3.369 1.00 0.00 N ATOM 0 H ASN A 81 -3.523 -11.918 -0.371 1.00 0.00 H new ATOM 0 HA ASN A 81 -2.145 -12.939 -2.536 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -2.821 -10.082 -1.777 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -1.932 -10.446 -3.243 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -5.656 -10.187 -3.873 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -4.529 -9.187 -2.949 1.00 0.00 H new ATOM 1244 N CYS A 82 -0.251 -11.261 -0.451 1.00 0.00 N ATOM 1245 CA CYS A 82 1.134 -10.951 -0.175 1.00 0.00 C ATOM 1246 C CYS A 82 1.933 -12.214 0.037 1.00 0.00 C ATOM 1247 O CYS A 82 2.925 -12.443 -0.664 1.00 0.00 O ATOM 1248 CB CYS A 82 1.314 -9.928 0.973 1.00 0.00 C ATOM 1249 SG CYS A 82 0.556 -10.363 2.558 1.00 0.00 S ATOM 0 H CYS A 82 -0.910 -11.006 0.285 1.00 0.00 H new ATOM 0 HA CYS A 82 1.533 -10.452 -1.058 1.00 0.00 H new ATOM 0 HB2 CYS A 82 2.382 -9.778 1.134 1.00 0.00 H new ATOM 0 HB3 CYS A 82 0.903 -8.972 0.648 1.00 0.00 H new ATOM 0 HG CYS A 82 -0.732 -10.456 2.412 1.00 0.00 H new ATOM 1255 N ARG A 83 1.459 -13.098 0.924 1.00 0.00 N ATOM 1256 CA ARG A 83 2.185 -14.352 1.145 1.00 0.00 C ATOM 1257 C ARG A 83 2.142 -15.292 -0.066 1.00 0.00 C ATOM 1258 O ARG A 83 3.026 -16.110 -0.248 1.00 0.00 O ATOM 1259 CB ARG A 83 1.860 -15.063 2.481 1.00 0.00 C ATOM 1260 CG ARG A 83 2.859 -14.758 3.609 1.00 0.00 C ATOM 1261 CD ARG A 83 2.816 -13.293 4.051 1.00 0.00 C ATOM 1262 NE ARG A 83 3.877 -12.937 5.042 1.00 0.00 N ATOM 1263 CZ ARG A 83 3.806 -13.156 6.374 1.00 0.00 C ATOM 1264 NH1 ARG A 83 2.781 -13.813 6.903 1.00 0.00 N ATOM 1265 NH2 ARG A 83 4.785 -12.715 7.161 1.00 0.00 N ATOM 0 H ARG A 83 0.612 -12.977 1.479 1.00 0.00 H new ATOM 0 HA ARG A 83 3.225 -14.045 1.255 1.00 0.00 H new ATOM 0 HB2 ARG A 83 0.861 -14.769 2.804 1.00 0.00 H new ATOM 0 HB3 ARG A 83 1.836 -16.140 2.312 1.00 0.00 H new ATOM 0 HG2 ARG A 83 2.643 -15.398 4.464 1.00 0.00 H new ATOM 0 HG3 ARG A 83 3.867 -15.003 3.274 1.00 0.00 H new ATOM 0 HD2 ARG A 83 2.920 -12.654 3.174 1.00 0.00 H new ATOM 0 HD3 ARG A 83 1.839 -13.081 4.485 1.00 0.00 H new ATOM 0 HE ARG A 83 4.723 -12.493 4.684 1.00 0.00 H new ATOM 0 HH11 ARG A 83 2.033 -14.160 6.303 1.00 0.00 H new ATOM 0 HH12 ARG A 83 2.741 -13.971 7.910 1.00 0.00 H new ATOM 0 HH21 ARG A 83 5.579 -12.217 6.758 1.00 0.00 H new ATOM 0 HH22 ARG A 83 4.741 -12.875 8.167 1.00 0.00 H new ATOM 1279 N ASP A 84 1.128 -15.134 -0.895 1.00 0.00 N ATOM 1280 CA ASP A 84 0.948 -15.905 -2.151 1.00 0.00 C ATOM 1281 C ASP A 84 2.082 -15.592 -3.102 1.00 0.00 C ATOM 1282 O ASP A 84 2.790 -16.475 -3.637 1.00 0.00 O ATOM 1283 CB ASP A 84 -0.343 -15.442 -2.804 1.00 0.00 C ATOM 1284 CG ASP A 84 -0.686 -16.192 -4.053 1.00 0.00 C ATOM 1285 OD1 ASP A 84 -1.242 -17.302 -3.978 1.00 0.00 O ATOM 1286 OD2 ASP A 84 -0.411 -15.677 -5.136 1.00 0.00 O ATOM 0 H ASP A 84 0.382 -14.458 -0.729 1.00 0.00 H new ATOM 0 HA ASP A 84 0.926 -16.972 -1.931 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -1.160 -15.549 -2.090 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -0.261 -14.381 -3.038 1.00 0.00 H new ATOM 1291 N THR A 85 2.235 -14.331 -3.302 1.00 0.00 N ATOM 1292 CA THR A 85 3.252 -13.778 -4.109 1.00 0.00 C ATOM 1293 C THR A 85 4.629 -14.070 -3.493 1.00 0.00 C ATOM 1294 O THR A 85 5.596 -14.368 -4.204 1.00 0.00 O ATOM 1295 CB THR A 85 2.959 -12.295 -4.207 1.00 0.00 C ATOM 1296 OG1 THR A 85 1.652 -12.139 -4.819 1.00 0.00 O ATOM 1297 CG2 THR A 85 4.004 -11.552 -4.987 1.00 0.00 C ATOM 0 H THR A 85 1.624 -13.628 -2.886 1.00 0.00 H new ATOM 0 HA THR A 85 3.272 -14.215 -5.108 1.00 0.00 H new ATOM 0 HB THR A 85 2.971 -11.865 -3.206 1.00 0.00 H new ATOM 0 HG1 THR A 85 0.964 -12.123 -4.121 1.00 0.00 H new ATOM 0 HG21 THR A 85 3.745 -10.494 -5.026 1.00 0.00 H new ATOM 0 HG22 THR A 85 4.973 -11.671 -4.502 1.00 0.00 H new ATOM 0 HG23 THR A 85 4.054 -11.951 -6.000 1.00 0.00 H new ATOM 1305 N ALA A 86 4.657 -14.086 -2.178 1.00 0.00 N ATOM 1306 CA ALA A 86 5.853 -14.436 -1.448 1.00 0.00 C ATOM 1307 C ALA A 86 6.294 -15.829 -1.827 1.00 0.00 C ATOM 1308 O ALA A 86 7.444 -16.030 -2.149 1.00 0.00 O ATOM 1309 CB ALA A 86 5.632 -14.347 0.045 1.00 0.00 C ATOM 0 H ALA A 86 3.856 -13.858 -1.589 1.00 0.00 H new ATOM 0 HA ALA A 86 6.635 -13.724 -1.713 1.00 0.00 H new ATOM 0 HB1 ALA A 86 6.551 -14.617 0.566 1.00 0.00 H new ATOM 0 HB2 ALA A 86 5.350 -13.328 0.311 1.00 0.00 H new ATOM 0 HB3 ALA A 86 4.836 -15.032 0.336 1.00 0.00 H new ATOM 1315 N LYS A 87 5.342 -16.761 -1.847 1.00 0.00 N ATOM 1316 CA LYS A 87 5.593 -18.171 -2.223 1.00 0.00 C ATOM 1317 C LYS A 87 6.260 -18.232 -3.582 1.00 0.00 C ATOM 1318 O LYS A 87 7.246 -18.953 -3.771 1.00 0.00 O ATOM 1319 CB LYS A 87 4.281 -18.965 -2.303 1.00 0.00 C ATOM 1320 CG LYS A 87 3.480 -19.008 -1.008 1.00 0.00 C ATOM 1321 CD LYS A 87 2.101 -19.618 -1.204 1.00 0.00 C ATOM 1322 CE LYS A 87 2.159 -21.089 -1.574 1.00 0.00 C ATOM 1323 NZ LYS A 87 0.802 -21.694 -1.660 1.00 0.00 N ATOM 0 H LYS A 87 4.370 -16.570 -1.604 1.00 0.00 H new ATOM 0 HA LYS A 87 6.236 -18.606 -1.458 1.00 0.00 H new ATOM 0 HB2 LYS A 87 3.658 -18.532 -3.085 1.00 0.00 H new ATOM 0 HB3 LYS A 87 4.509 -19.987 -2.607 1.00 0.00 H new ATOM 0 HG2 LYS A 87 4.028 -19.585 -0.263 1.00 0.00 H new ATOM 0 HG3 LYS A 87 3.375 -17.997 -0.614 1.00 0.00 H new ATOM 0 HD2 LYS A 87 1.523 -19.500 -0.288 1.00 0.00 H new ATOM 0 HD3 LYS A 87 1.574 -19.071 -1.986 1.00 0.00 H new ATOM 0 HE2 LYS A 87 2.668 -21.203 -2.531 1.00 0.00 H new ATOM 0 HE3 LYS A 87 2.750 -21.627 -0.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 0.885 -22.699 -1.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 0.325 -21.609 -0.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 0.246 -21.198 -2.386 1.00 0.00 H new ATOM 1337 N ARG A 88 5.749 -17.444 -4.521 1.00 0.00 N ATOM 1338 CA ARG A 88 6.296 -17.430 -5.876 1.00 0.00 C ATOM 1339 C ARG A 88 7.663 -16.794 -5.940 1.00 0.00 C ATOM 1340 O ARG A 88 8.502 -17.178 -6.754 1.00 0.00 O ATOM 1341 CB ARG A 88 5.347 -16.776 -6.890 1.00 0.00 C ATOM 1342 CG ARG A 88 4.310 -17.726 -7.469 1.00 0.00 C ATOM 1343 CD ARG A 88 3.425 -18.310 -6.394 1.00 0.00 C ATOM 1344 NE ARG A 88 2.455 -19.244 -6.922 1.00 0.00 N ATOM 1345 CZ ARG A 88 1.172 -19.273 -6.547 1.00 0.00 C ATOM 1346 NH1 ARG A 88 0.725 -18.395 -5.644 1.00 0.00 N ATOM 1347 NH2 ARG A 88 0.343 -20.158 -7.075 1.00 0.00 N ATOM 0 H ARG A 88 4.963 -16.811 -4.373 1.00 0.00 H new ATOM 0 HA ARG A 88 6.404 -18.478 -6.156 1.00 0.00 H new ATOM 0 HB2 ARG A 88 4.834 -15.944 -6.408 1.00 0.00 H new ATOM 0 HB3 ARG A 88 5.936 -16.357 -7.706 1.00 0.00 H new ATOM 0 HG2 ARG A 88 3.696 -17.195 -8.197 1.00 0.00 H new ATOM 0 HG3 ARG A 88 4.813 -18.532 -8.004 1.00 0.00 H new ATOM 0 HD2 ARG A 88 4.044 -18.815 -5.653 1.00 0.00 H new ATOM 0 HD3 ARG A 88 2.904 -17.503 -5.878 1.00 0.00 H new ATOM 0 HE ARG A 88 2.768 -19.919 -7.620 1.00 0.00 H new ATOM 0 HH11 ARG A 88 1.362 -17.706 -5.244 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -0.253 -18.414 -5.355 1.00 0.00 H new ATOM 0 HH21 ARG A 88 0.682 -20.822 -7.771 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -0.635 -20.177 -6.786 1.00 0.00 H new ATOM 1361 N ASN A 89 7.908 -15.854 -5.096 1.00 0.00 N ATOM 1362 CA ASN A 89 9.175 -15.179 -5.119 1.00 0.00 C ATOM 1363 C ASN A 89 10.241 -16.002 -4.379 1.00 0.00 C ATOM 1364 O ASN A 89 11.406 -16.042 -4.788 1.00 0.00 O ATOM 1365 CB ASN A 89 9.024 -13.757 -4.558 1.00 0.00 C ATOM 1366 CG ASN A 89 10.206 -12.837 -4.819 1.00 0.00 C ATOM 1367 OD1 ASN A 89 11.354 -13.243 -4.794 1.00 0.00 O ATOM 1368 ND2 ASN A 89 9.906 -11.588 -5.118 1.00 0.00 N ATOM 0 H ASN A 89 7.257 -15.530 -4.381 1.00 0.00 H new ATOM 0 HA ASN A 89 9.518 -15.083 -6.149 1.00 0.00 H new ATOM 0 HB2 ASN A 89 8.129 -13.306 -4.987 1.00 0.00 H new ATOM 0 HB3 ASN A 89 8.863 -13.822 -3.482 1.00 0.00 H new ATOM 0 HD21 ASN A 89 10.648 -10.924 -5.339 1.00 0.00 H new ATOM 0 HD22 ASN A 89 8.932 -11.286 -5.128 1.00 0.00 H new ATOM 1375 N GLN A 90 9.829 -16.735 -3.336 1.00 0.00 N ATOM 1376 CA GLN A 90 10.778 -17.523 -2.563 1.00 0.00 C ATOM 1377 C GLN A 90 11.266 -18.707 -3.359 1.00 0.00 C ATOM 1378 O GLN A 90 12.432 -19.064 -3.275 1.00 0.00 O ATOM 1379 CB GLN A 90 10.232 -18.005 -1.207 1.00 0.00 C ATOM 1380 CG GLN A 90 9.650 -16.931 -0.281 1.00 0.00 C ATOM 1381 CD GLN A 90 10.384 -15.617 -0.303 1.00 0.00 C ATOM 1382 OE1 GLN A 90 11.347 -15.391 0.429 1.00 0.00 O ATOM 1383 NE2 GLN A 90 9.875 -14.716 -1.100 1.00 0.00 N ATOM 0 H GLN A 90 8.862 -16.794 -3.018 1.00 0.00 H new ATOM 0 HA GLN A 90 11.606 -16.848 -2.347 1.00 0.00 H new ATOM 0 HB2 GLN A 90 9.457 -18.748 -1.396 1.00 0.00 H new ATOM 0 HB3 GLN A 90 11.038 -18.512 -0.676 1.00 0.00 H new ATOM 0 HG2 GLN A 90 8.611 -16.756 -0.558 1.00 0.00 H new ATOM 0 HG3 GLN A 90 9.647 -17.313 0.740 1.00 0.00 H new ATOM 0 HE21 GLN A 90 9.076 -14.949 -1.689 1.00 0.00 H new ATOM 0 HE22 GLN A 90 10.277 -13.779 -1.133 1.00 0.00 H new ATOM 1392 N GLN A 91 10.373 -19.307 -4.147 1.00 0.00 N ATOM 1393 CA GLN A 91 10.742 -20.446 -4.998 1.00 0.00 C ATOM 1394 C GLN A 91 11.613 -20.000 -6.182 1.00 0.00 C ATOM 1395 O GLN A 91 12.198 -20.831 -6.886 1.00 0.00 O ATOM 1396 CB GLN A 91 9.490 -21.209 -5.500 1.00 0.00 C ATOM 1397 CG GLN A 91 8.541 -20.364 -6.351 1.00 0.00 C ATOM 1398 CD GLN A 91 7.289 -21.119 -6.824 1.00 0.00 C ATOM 1399 OE1 GLN A 91 7.277 -21.711 -7.899 1.00 0.00 O ATOM 1400 NE2 GLN A 91 6.253 -21.113 -6.023 1.00 0.00 N ATOM 0 H GLN A 91 9.394 -19.028 -4.216 1.00 0.00 H new ATOM 0 HA GLN A 91 11.328 -21.129 -4.384 1.00 0.00 H new ATOM 0 HB2 GLN A 91 9.813 -22.071 -6.083 1.00 0.00 H new ATOM 0 HB3 GLN A 91 8.943 -21.594 -4.639 1.00 0.00 H new ATOM 0 HG2 GLN A 91 8.231 -19.492 -5.775 1.00 0.00 H new ATOM 0 HG3 GLN A 91 9.082 -19.995 -7.223 1.00 0.00 H new ATOM 0 HE21 GLN A 91 6.297 -20.611 -5.136 1.00 0.00 H new ATOM 0 HE22 GLN A 91 5.402 -21.611 -6.286 1.00 0.00 H new ATOM 1409 N ALA A 92 11.647 -18.697 -6.434 1.00 0.00 N ATOM 1410 CA ALA A 92 12.510 -18.150 -7.448 1.00 0.00 C ATOM 1411 C ALA A 92 13.850 -17.801 -6.818 1.00 0.00 C ATOM 1412 O ALA A 92 14.916 -18.117 -7.362 1.00 0.00 O ATOM 1413 CB ALA A 92 11.887 -16.926 -8.083 1.00 0.00 C ATOM 0 H ALA A 92 11.081 -18.005 -5.943 1.00 0.00 H new ATOM 0 HA ALA A 92 12.657 -18.891 -8.234 1.00 0.00 H new ATOM 0 HB1 ALA A 92 12.558 -16.531 -8.846 1.00 0.00 H new ATOM 0 HB2 ALA A 92 10.936 -17.198 -8.541 1.00 0.00 H new ATOM 0 HB3 ALA A 92 11.718 -16.166 -7.320 1.00 0.00 H new ATOM 1419 N GLY A 93 13.778 -17.165 -5.654 1.00 0.00 N ATOM 1420 CA GLY A 93 14.954 -16.810 -4.912 1.00 0.00 C ATOM 1421 C GLY A 93 15.411 -15.393 -5.211 1.00 0.00 C ATOM 1422 O GLY A 93 16.569 -15.169 -5.545 1.00 0.00 O ATOM 0 H GLY A 93 12.902 -16.888 -5.211 1.00 0.00 H new ATOM 0 HA2 GLY A 93 14.753 -16.908 -3.845 1.00 0.00 H new ATOM 0 HA3 GLY A 93 15.757 -17.507 -5.150 1.00 0.00 H new ATOM 1426 N ASN A 94 14.513 -14.438 -5.115 1.00 0.00 N ATOM 1427 CA ASN A 94 14.874 -13.052 -5.437 1.00 0.00 C ATOM 1428 C ASN A 94 15.224 -12.267 -4.190 1.00 0.00 C ATOM 1429 O ASN A 94 16.010 -11.316 -4.239 1.00 0.00 O ATOM 1430 CB ASN A 94 13.768 -12.314 -6.198 1.00 0.00 C ATOM 1431 CG ASN A 94 13.459 -12.838 -7.593 1.00 0.00 C ATOM 1432 OD1 ASN A 94 14.331 -13.369 -8.299 1.00 0.00 O ATOM 1433 ND2 ASN A 94 12.223 -12.700 -8.008 1.00 0.00 N ATOM 0 H ASN A 94 13.545 -14.577 -4.824 1.00 0.00 H new ATOM 0 HA ASN A 94 15.748 -13.118 -6.085 1.00 0.00 H new ATOM 0 HB2 ASN A 94 12.855 -12.356 -5.604 1.00 0.00 H new ATOM 0 HB3 ASN A 94 14.048 -11.264 -6.279 1.00 0.00 H new ATOM 0 HD21 ASN A 94 11.956 -13.033 -8.934 1.00 0.00 H new ATOM 0 HD22 ASN A 94 11.529 -12.259 -7.405 1.00 0.00 H new ATOM 1440 N GLY A 95 14.631 -12.657 -3.084 1.00 0.00 N ATOM 1441 CA GLY A 95 14.865 -11.988 -1.829 1.00 0.00 C ATOM 1442 C GLY A 95 13.837 -10.904 -1.553 1.00 0.00 C ATOM 1443 O GLY A 95 14.118 -9.930 -0.831 1.00 0.00 O ATOM 0 H GLY A 95 13.979 -13.440 -3.031 1.00 0.00 H new ATOM 0 HA2 GLY A 95 14.845 -12.719 -1.021 1.00 0.00 H new ATOM 0 HA3 GLY A 95 15.862 -11.547 -1.835 1.00 0.00 H new ATOM 1447 N TRP A 96 12.644 -11.066 -2.110 1.00 0.00 N ATOM 1448 CA TRP A 96 11.589 -10.109 -1.947 1.00 0.00 C ATOM 1449 C TRP A 96 10.293 -10.815 -1.606 1.00 0.00 C ATOM 1450 O TRP A 96 10.263 -12.045 -1.491 1.00 0.00 O ATOM 1451 CB TRP A 96 11.364 -9.264 -3.216 1.00 0.00 C ATOM 1452 CG TRP A 96 12.500 -8.396 -3.626 1.00 0.00 C ATOM 1453 CD1 TRP A 96 13.144 -7.476 -2.859 1.00 0.00 C ATOM 1454 CD2 TRP A 96 13.095 -8.329 -4.923 1.00 0.00 C ATOM 1455 NE1 TRP A 96 14.111 -6.844 -3.592 1.00 0.00 N ATOM 1456 CE2 TRP A 96 14.111 -7.358 -4.864 1.00 0.00 C ATOM 1457 CE3 TRP A 96 12.874 -9.005 -6.129 1.00 0.00 C ATOM 1458 CZ2 TRP A 96 14.908 -7.047 -5.966 1.00 0.00 C ATOM 1459 CZ3 TRP A 96 13.661 -8.690 -7.216 1.00 0.00 C ATOM 1460 CH2 TRP A 96 14.669 -7.722 -7.126 1.00 0.00 C ATOM 0 H TRP A 96 12.393 -11.870 -2.686 1.00 0.00 H new ATOM 0 HA TRP A 96 11.891 -9.444 -1.138 1.00 0.00 H new ATOM 0 HB2 TRP A 96 11.130 -9.937 -4.041 1.00 0.00 H new ATOM 0 HB3 TRP A 96 10.488 -8.634 -3.060 1.00 0.00 H new ATOM 0 HD1 TRP A 96 12.924 -7.274 -1.821 1.00 0.00 H new ATOM 0 HE1 TRP A 96 14.731 -6.110 -3.249 1.00 0.00 H new ATOM 0 HE3 TRP A 96 12.103 -9.757 -6.206 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 15.685 -6.300 -5.902 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 13.497 -9.199 -8.154 1.00 0.00 H new ATOM 0 HH2 TRP A 96 15.271 -7.505 -7.996 1.00 0.00 H new ATOM 1471 N ASP A 97 9.270 -10.018 -1.359 1.00 0.00 N ATOM 1472 CA ASP A 97 7.869 -10.456 -1.233 1.00 0.00 C ATOM 1473 C ASP A 97 7.466 -11.121 0.072 1.00 0.00 C ATOM 1474 O ASP A 97 6.352 -10.949 0.520 1.00 0.00 O ATOM 1475 CB ASP A 97 7.408 -11.279 -2.429 1.00 0.00 C ATOM 1476 CG ASP A 97 7.403 -10.497 -3.719 1.00 0.00 C ATOM 1477 OD1 ASP A 97 7.546 -9.245 -3.701 1.00 0.00 O ATOM 1478 OD2 ASP A 97 7.311 -11.126 -4.788 1.00 0.00 O ATOM 0 H ASP A 97 9.382 -9.012 -1.234 1.00 0.00 H new ATOM 0 HA ASP A 97 7.335 -9.506 -1.217 1.00 0.00 H new ATOM 0 HB2 ASP A 97 8.060 -12.146 -2.539 1.00 0.00 H new ATOM 0 HB3 ASP A 97 6.404 -11.658 -2.237 1.00 0.00 H new ATOM 1483 N PHE A 98 8.312 -11.909 0.656 1.00 0.00 N ATOM 1484 CA PHE A 98 7.939 -12.524 1.904 1.00 0.00 C ATOM 1485 C PHE A 98 8.093 -11.576 3.097 1.00 0.00 C ATOM 1486 O PHE A 98 7.156 -11.363 3.850 1.00 0.00 O ATOM 1487 CB PHE A 98 8.672 -13.839 2.133 1.00 0.00 C ATOM 1488 CG PHE A 98 8.270 -14.499 3.412 1.00 0.00 C ATOM 1489 CD1 PHE A 98 6.991 -14.996 3.563 1.00 0.00 C ATOM 1490 CD2 PHE A 98 9.151 -14.586 4.468 1.00 0.00 C ATOM 1491 CE1 PHE A 98 6.592 -15.572 4.744 1.00 0.00 C ATOM 1492 CE2 PHE A 98 8.760 -15.156 5.659 1.00 0.00 C ATOM 1493 CZ PHE A 98 7.475 -15.655 5.796 1.00 0.00 C ATOM 0 H PHE A 98 9.242 -12.142 0.307 1.00 0.00 H new ATOM 0 HA PHE A 98 6.877 -12.754 1.825 1.00 0.00 H new ATOM 0 HB2 PHE A 98 8.472 -14.513 1.300 1.00 0.00 H new ATOM 0 HB3 PHE A 98 9.746 -13.656 2.144 1.00 0.00 H new ATOM 0 HD1 PHE A 98 6.294 -14.931 2.740 1.00 0.00 H new ATOM 0 HD2 PHE A 98 10.156 -14.204 4.361 1.00 0.00 H new ATOM 0 HE1 PHE A 98 5.589 -15.958 4.847 1.00 0.00 H new ATOM 0 HE2 PHE A 98 9.454 -15.214 6.485 1.00 0.00 H new ATOM 0 HZ PHE A 98 7.167 -16.108 6.727 1.00 0.00 H new ATOM 1503 N ASP A 99 9.302 -11.110 3.305 1.00 0.00 N ATOM 1504 CA ASP A 99 9.683 -10.198 4.393 1.00 0.00 C ATOM 1505 C ASP A 99 9.515 -8.719 4.085 1.00 0.00 C ATOM 1506 O ASP A 99 8.858 -8.002 4.843 1.00 0.00 O ATOM 1507 CB ASP A 99 11.126 -10.495 4.805 1.00 0.00 C ATOM 1508 CG ASP A 99 12.063 -10.643 3.614 1.00 0.00 C ATOM 1509 OD1 ASP A 99 12.120 -11.751 3.050 1.00 0.00 O ATOM 1510 OD2 ASP A 99 12.706 -9.664 3.197 1.00 0.00 O ATOM 0 H ASP A 99 10.089 -11.357 2.705 1.00 0.00 H new ATOM 0 HA ASP A 99 8.987 -10.390 5.210 1.00 0.00 H new ATOM 0 HB2 ASP A 99 11.488 -9.693 5.448 1.00 0.00 H new ATOM 0 HB3 ASP A 99 11.149 -11.411 5.395 1.00 0.00 H new ATOM 1515 N MET A 100 10.132 -8.230 3.032 1.00 0.00 N ATOM 1516 CA MET A 100 10.023 -6.811 2.691 1.00 0.00 C ATOM 1517 C MET A 100 8.570 -6.433 2.444 1.00 0.00 C ATOM 1518 O MET A 100 8.084 -5.396 2.900 1.00 0.00 O ATOM 1519 CB MET A 100 10.881 -6.471 1.491 1.00 0.00 C ATOM 1520 CG MET A 100 12.345 -6.780 1.664 1.00 0.00 C ATOM 1521 SD MET A 100 13.323 -6.222 0.262 1.00 0.00 S ATOM 1522 CE MET A 100 14.899 -6.961 0.643 1.00 0.00 C ATOM 0 H MET A 100 10.711 -8.779 2.397 1.00 0.00 H new ATOM 0 HA MET A 100 10.390 -6.229 3.537 1.00 0.00 H new ATOM 0 HB2 MET A 100 10.507 -7.018 0.626 1.00 0.00 H new ATOM 0 HB3 MET A 100 10.770 -5.410 1.270 1.00 0.00 H new ATOM 0 HG2 MET A 100 12.711 -6.303 2.574 1.00 0.00 H new ATOM 0 HG3 MET A 100 12.476 -7.854 1.792 1.00 0.00 H new ATOM 0 HE1 MET A 100 15.662 -6.185 0.693 1.00 0.00 H new ATOM 0 HE2 MET A 100 14.838 -7.472 1.604 1.00 0.00 H new ATOM 0 HE3 MET A 100 15.162 -7.679 -0.134 1.00 0.00 H new ATOM 1532 N LEU A 101 7.889 -7.312 1.765 1.00 0.00 N ATOM 1533 CA LEU A 101 6.490 -7.203 1.554 1.00 0.00 C ATOM 1534 C LEU A 101 5.830 -7.931 2.695 1.00 0.00 C ATOM 1535 O LEU A 101 5.920 -9.141 2.755 1.00 0.00 O ATOM 1536 CB LEU A 101 6.082 -7.924 0.271 1.00 0.00 C ATOM 1537 CG LEU A 101 4.563 -8.063 0.033 1.00 0.00 C ATOM 1538 CD1 LEU A 101 3.939 -6.761 -0.323 1.00 0.00 C ATOM 1539 CD2 LEU A 101 4.276 -9.079 -1.026 1.00 0.00 C ATOM 0 H LEU A 101 8.308 -8.138 1.338 1.00 0.00 H new ATOM 0 HA LEU A 101 6.205 -6.153 1.487 1.00 0.00 H new ATOM 0 HB2 LEU A 101 6.516 -7.393 -0.576 1.00 0.00 H new ATOM 0 HB3 LEU A 101 6.522 -8.921 0.281 1.00 0.00 H new ATOM 0 HG LEU A 101 4.123 -8.401 0.971 1.00 0.00 H new ATOM 0 HD11 LEU A 101 2.870 -6.901 -0.482 1.00 0.00 H new ATOM 0 HD12 LEU A 101 4.095 -6.049 0.488 1.00 0.00 H new ATOM 0 HD13 LEU A 101 4.395 -6.377 -1.236 1.00 0.00 H new ATOM 0 HD21 LEU A 101 3.199 -9.157 -1.173 1.00 0.00 H new ATOM 0 HD22 LEU A 101 4.749 -8.775 -1.960 1.00 0.00 H new ATOM 0 HD23 LEU A 101 4.671 -10.047 -0.718 1.00 0.00 H new ATOM 1551 N THR A 102 5.340 -7.207 3.663 1.00 0.00 N ATOM 1552 CA THR A 102 4.491 -7.804 4.681 1.00 0.00 C ATOM 1553 C THR A 102 5.218 -8.565 5.850 1.00 0.00 C ATOM 1554 O THR A 102 4.693 -8.611 6.975 1.00 0.00 O ATOM 1555 CB THR A 102 3.423 -8.708 3.993 1.00 0.00 C ATOM 1556 OG1 THR A 102 2.374 -7.922 3.408 1.00 0.00 O ATOM 1557 CG2 THR A 102 2.873 -9.793 4.893 1.00 0.00 C ATOM 0 H THR A 102 5.507 -6.207 3.777 1.00 0.00 H new ATOM 0 HA THR A 102 4.026 -6.963 5.194 1.00 0.00 H new ATOM 0 HB THR A 102 3.945 -9.231 3.192 1.00 0.00 H new ATOM 0 HG1 THR A 102 1.645 -8.511 3.122 1.00 0.00 H new ATOM 0 HG21 THR A 102 2.136 -10.381 4.346 1.00 0.00 H new ATOM 0 HG22 THR A 102 3.686 -10.442 5.219 1.00 0.00 H new ATOM 0 HG23 THR A 102 2.400 -9.339 5.764 1.00 0.00 H new ATOM 1565 N GLY A 103 6.433 -9.039 5.675 1.00 0.00 N ATOM 1566 CA GLY A 103 6.993 -9.938 6.669 1.00 0.00 C ATOM 1567 C GLY A 103 8.038 -9.288 7.533 1.00 0.00 C ATOM 1568 O GLY A 103 9.203 -9.699 7.559 1.00 0.00 O ATOM 0 H GLY A 103 7.038 -8.828 4.882 1.00 0.00 H new ATOM 0 HA2 GLY A 103 6.190 -10.315 7.302 1.00 0.00 H new ATOM 0 HA3 GLY A 103 7.432 -10.799 6.165 1.00 0.00 H new ATOM 1572 N SER A 104 7.627 -8.290 8.224 1.00 0.00 N ATOM 1573 CA SER A 104 8.484 -7.563 9.130 1.00 0.00 C ATOM 1574 C SER A 104 8.540 -8.254 10.518 1.00 0.00 C ATOM 1575 O SER A 104 8.421 -9.476 10.600 1.00 0.00 O ATOM 1576 CB SER A 104 8.012 -6.112 9.159 1.00 0.00 C ATOM 1577 OG SER A 104 6.591 -6.030 8.977 1.00 0.00 O ATOM 0 H SER A 104 6.671 -7.937 8.186 1.00 0.00 H new ATOM 0 HA SER A 104 9.519 -7.565 8.788 1.00 0.00 H new ATOM 0 HB2 SER A 104 8.287 -5.655 10.110 1.00 0.00 H new ATOM 0 HB3 SER A 104 8.516 -5.546 8.375 1.00 0.00 H new ATOM 0 HG SER A 104 6.312 -5.091 9.001 1.00 0.00 H new ATOM 1583 N GLY A 105 8.725 -7.519 11.601 1.00 0.00 N ATOM 1584 CA GLY A 105 8.841 -8.135 12.891 1.00 0.00 C ATOM 1585 C GLY A 105 10.269 -8.488 13.236 1.00 0.00 C ATOM 1586 O GLY A 105 10.987 -7.703 13.869 1.00 0.00 O ATOM 0 H GLY A 105 8.796 -6.502 11.603 1.00 0.00 H new ATOM 0 HA2 GLY A 105 8.443 -7.461 13.649 1.00 0.00 H new ATOM 0 HA3 GLY A 105 8.231 -9.038 12.915 1.00 0.00 H new ATOM 1590 N ASN A 106 10.696 -9.630 12.771 1.00 0.00 N ATOM 1591 CA ASN A 106 12.002 -10.177 13.113 1.00 0.00 C ATOM 1592 C ASN A 106 13.081 -9.438 12.358 1.00 0.00 C ATOM 1593 O ASN A 106 14.097 -9.012 12.927 1.00 0.00 O ATOM 1594 CB ASN A 106 12.089 -11.670 12.733 1.00 0.00 C ATOM 1595 CG ASN A 106 11.017 -12.576 13.334 1.00 0.00 C ATOM 1596 OD1 ASN A 106 9.877 -12.178 13.567 1.00 0.00 O ATOM 1597 ND2 ASN A 106 11.381 -13.798 13.593 1.00 0.00 N ATOM 0 H ASN A 106 10.153 -10.219 12.140 1.00 0.00 H new ATOM 0 HA ASN A 106 12.140 -10.064 14.188 1.00 0.00 H new ATOM 0 HB2 ASN A 106 12.039 -11.752 11.647 1.00 0.00 H new ATOM 0 HB3 ASN A 106 13.066 -12.046 13.036 1.00 0.00 H new ATOM 0 HD21 ASN A 106 10.714 -14.454 14.000 1.00 0.00 H new ATOM 0 HD22 ASN A 106 12.334 -14.100 13.389 1.00 0.00 H new ATOM 1604 N TYR A 107 12.838 -9.257 11.096 1.00 0.00 N ATOM 1605 CA TYR A 107 13.733 -8.591 10.216 1.00 0.00 C ATOM 1606 C TYR A 107 12.950 -7.706 9.256 1.00 0.00 C ATOM 1607 O TYR A 107 11.872 -7.226 9.642 1.00 0.00 O ATOM 1608 CB TYR A 107 14.703 -9.579 9.542 1.00 0.00 C ATOM 1609 CG TYR A 107 14.118 -10.858 8.982 1.00 0.00 C ATOM 1610 CD1 TYR A 107 13.592 -10.928 7.714 1.00 0.00 C ATOM 1611 CD2 TYR A 107 14.163 -12.026 9.728 1.00 0.00 C ATOM 1612 CE1 TYR A 107 13.113 -12.124 7.211 1.00 0.00 C ATOM 1613 CE2 TYR A 107 13.682 -13.215 9.239 1.00 0.00 C ATOM 1614 CZ TYR A 107 13.166 -13.264 7.976 1.00 0.00 C ATOM 1615 OH TYR A 107 12.704 -14.465 7.471 1.00 0.00 O ATOM 0 H TYR A 107 11.984 -9.581 10.642 1.00 0.00 H new ATOM 0 HA TYR A 107 14.382 -7.923 10.783 1.00 0.00 H new ATOM 0 HB2 TYR A 107 15.207 -9.055 8.730 1.00 0.00 H new ATOM 0 HB3 TYR A 107 15.468 -9.849 10.270 1.00 0.00 H new ATOM 0 HD1 TYR A 107 13.552 -10.038 7.103 1.00 0.00 H new ATOM 0 HD2 TYR A 107 14.588 -12.000 10.721 1.00 0.00 H new ATOM 0 HE1 TYR A 107 12.697 -12.162 6.215 1.00 0.00 H new ATOM 0 HE2 TYR A 107 13.712 -14.106 9.849 1.00 0.00 H new ATOM 0 HH TYR A 107 12.817 -15.168 8.144 1.00 0.00 H new ATOM 1625 N SER A 108 13.432 -7.518 8.022 1.00 0.00 N ATOM 1626 CA SER A 108 12.868 -6.541 7.061 1.00 0.00 C ATOM 1627 C SER A 108 13.016 -5.080 7.562 1.00 0.00 C ATOM 1628 O SER A 108 13.763 -4.282 6.959 1.00 0.00 O ATOM 1629 CB SER A 108 11.399 -6.880 6.713 1.00 0.00 C ATOM 1630 OG SER A 108 10.872 -6.056 5.678 1.00 0.00 O ATOM 0 H SER A 108 14.228 -8.038 7.653 1.00 0.00 H new ATOM 0 HA SER A 108 13.450 -6.619 6.143 1.00 0.00 H new ATOM 0 HB2 SER A 108 11.335 -7.924 6.408 1.00 0.00 H new ATOM 0 HB3 SER A 108 10.784 -6.771 7.606 1.00 0.00 H new ATOM 0 HG SER A 108 9.893 -6.065 5.719 1.00 0.00 H new ATOM 1636 N SER A 109 12.351 -4.755 8.693 1.00 0.00 N ATOM 1637 CA SER A 109 12.337 -3.411 9.273 1.00 0.00 C ATOM 1638 C SER A 109 11.842 -2.384 8.225 1.00 0.00 C ATOM 1639 O SER A 109 11.188 -2.747 7.231 1.00 0.00 O ATOM 1640 CB SER A 109 13.758 -3.069 9.775 1.00 0.00 C ATOM 1641 OG SER A 109 14.195 -4.010 10.753 1.00 0.00 O ATOM 0 H SER A 109 11.806 -5.432 9.227 1.00 0.00 H new ATOM 0 HA SER A 109 11.649 -3.373 10.118 1.00 0.00 H new ATOM 0 HB2 SER A 109 14.453 -3.063 8.935 1.00 0.00 H new ATOM 0 HB3 SER A 109 13.765 -2.066 10.202 1.00 0.00 H new ATOM 0 HG SER A 109 15.097 -3.774 11.054 1.00 0.00 H new ATOM 1647 N THR A 110 12.088 -1.126 8.462 1.00 0.00 N ATOM 1648 CA THR A 110 11.794 -0.148 7.478 1.00 0.00 C ATOM 1649 C THR A 110 12.873 -0.227 6.383 1.00 0.00 C ATOM 1650 O THR A 110 12.574 -0.169 5.207 1.00 0.00 O ATOM 1651 CB THR A 110 11.754 1.288 8.087 1.00 0.00 C ATOM 1652 OG1 THR A 110 10.773 1.352 9.140 1.00 0.00 O ATOM 1653 CG2 THR A 110 11.416 2.324 7.017 1.00 0.00 C ATOM 0 H THR A 110 12.490 -0.764 9.327 1.00 0.00 H new ATOM 0 HA THR A 110 10.807 -0.349 7.061 1.00 0.00 H new ATOM 0 HB THR A 110 12.741 1.510 8.492 1.00 0.00 H new ATOM 0 HG1 THR A 110 10.756 2.256 9.517 1.00 0.00 H new ATOM 0 HG21 THR A 110 11.394 3.317 7.466 1.00 0.00 H new ATOM 0 HG22 THR A 110 12.172 2.297 6.233 1.00 0.00 H new ATOM 0 HG23 THR A 110 10.440 2.098 6.588 1.00 0.00 H new ATOM 1661 N ASP A 111 14.103 -0.487 6.799 1.00 0.00 N ATOM 1662 CA ASP A 111 15.282 -0.436 5.917 1.00 0.00 C ATOM 1663 C ASP A 111 15.158 -1.228 4.612 1.00 0.00 C ATOM 1664 O ASP A 111 15.305 -0.655 3.543 1.00 0.00 O ATOM 1665 CB ASP A 111 16.555 -0.862 6.648 1.00 0.00 C ATOM 1666 CG ASP A 111 17.798 -0.801 5.761 1.00 0.00 C ATOM 1667 OD1 ASP A 111 18.394 0.289 5.624 1.00 0.00 O ATOM 1668 OD2 ASP A 111 18.209 -1.843 5.206 1.00 0.00 O ATOM 0 H ASP A 111 14.323 -0.742 7.762 1.00 0.00 H new ATOM 0 HA ASP A 111 15.343 0.614 5.633 1.00 0.00 H new ATOM 0 HB2 ASP A 111 16.702 -0.219 7.516 1.00 0.00 H new ATOM 0 HB3 ASP A 111 16.431 -1.878 7.022 1.00 0.00 H new ATOM 1673 N ALA A 112 14.750 -2.486 4.685 1.00 0.00 N ATOM 1674 CA ALA A 112 14.882 -3.388 3.545 1.00 0.00 C ATOM 1675 C ALA A 112 13.973 -2.957 2.431 1.00 0.00 C ATOM 1676 O ALA A 112 14.347 -2.944 1.251 1.00 0.00 O ATOM 1677 CB ALA A 112 14.611 -4.820 3.967 1.00 0.00 C ATOM 0 H ALA A 112 14.328 -2.905 5.513 1.00 0.00 H new ATOM 0 HA ALA A 112 15.906 -3.343 3.174 1.00 0.00 H new ATOM 0 HB1 ALA A 112 14.714 -5.479 3.105 1.00 0.00 H new ATOM 0 HB2 ALA A 112 15.326 -5.114 4.736 1.00 0.00 H new ATOM 0 HB3 ALA A 112 13.599 -4.897 4.364 1.00 0.00 H new ATOM 1683 N GLN A 113 12.805 -2.554 2.814 1.00 0.00 N ATOM 1684 CA GLN A 113 11.856 -2.069 1.884 1.00 0.00 C ATOM 1685 C GLN A 113 12.089 -0.633 1.515 1.00 0.00 C ATOM 1686 O GLN A 113 11.785 -0.230 0.414 1.00 0.00 O ATOM 1687 CB GLN A 113 10.418 -2.350 2.311 1.00 0.00 C ATOM 1688 CG GLN A 113 10.058 -2.232 3.788 1.00 0.00 C ATOM 1689 CD GLN A 113 9.600 -0.845 4.280 1.00 0.00 C ATOM 1690 OE1 GLN A 113 10.173 0.235 3.800 1.00 0.00 O flip ATOM 1691 NE2 GLN A 113 8.772 -0.771 5.182 1.00 0.00 N flip ATOM 0 H GLN A 113 12.488 -2.555 3.784 1.00 0.00 H new ATOM 0 HA GLN A 113 12.010 -2.639 0.968 1.00 0.00 H new ATOM 0 HB2 GLN A 113 9.770 -1.671 1.757 1.00 0.00 H new ATOM 0 HB3 GLN A 113 10.169 -3.361 1.990 1.00 0.00 H new ATOM 0 HG2 GLN A 113 9.265 -2.948 4.003 1.00 0.00 H new ATOM 0 HG3 GLN A 113 10.926 -2.532 4.375 1.00 0.00 H new ATOM 0 HE21 GLN A 113 8.336 -1.619 5.544 1.00 0.00 H new ATOM 0 HE22 GLN A 113 8.520 0.138 5.570 1.00 0.00 H new ATOM 1700 N MET A 114 12.649 0.152 2.440 1.00 0.00 N ATOM 1701 CA MET A 114 12.933 1.563 2.196 1.00 0.00 C ATOM 1702 C MET A 114 14.061 1.726 1.191 1.00 0.00 C ATOM 1703 O MET A 114 14.350 2.832 0.738 1.00 0.00 O ATOM 1704 CB MET A 114 13.227 2.291 3.532 1.00 0.00 C ATOM 1705 CG MET A 114 13.507 3.787 3.428 1.00 0.00 C ATOM 1706 SD MET A 114 13.739 4.539 5.038 1.00 0.00 S ATOM 1707 CE MET A 114 14.082 6.236 4.582 1.00 0.00 C ATOM 0 H MET A 114 12.915 -0.172 3.370 1.00 0.00 H new ATOM 0 HA MET A 114 12.051 2.029 1.756 1.00 0.00 H new ATOM 0 HB2 MET A 114 12.376 2.146 4.197 1.00 0.00 H new ATOM 0 HB3 MET A 114 14.085 1.812 4.003 1.00 0.00 H new ATOM 0 HG2 MET A 114 14.398 3.948 2.821 1.00 0.00 H new ATOM 0 HG3 MET A 114 12.679 4.276 2.915 1.00 0.00 H new ATOM 0 HE1 MET A 114 14.248 6.828 5.482 1.00 0.00 H new ATOM 0 HE2 MET A 114 14.973 6.271 3.955 1.00 0.00 H new ATOM 0 HE3 MET A 114 13.234 6.643 4.031 1.00 0.00 H new ATOM 1717 N GLN A 115 14.717 0.634 0.854 1.00 0.00 N ATOM 1718 CA GLN A 115 15.698 0.697 -0.205 1.00 0.00 C ATOM 1719 C GLN A 115 14.984 0.789 -1.548 1.00 0.00 C ATOM 1720 O GLN A 115 15.482 1.426 -2.473 1.00 0.00 O ATOM 1721 CB GLN A 115 16.696 -0.463 -0.170 1.00 0.00 C ATOM 1722 CG GLN A 115 17.411 -0.630 1.170 1.00 0.00 C ATOM 1723 CD GLN A 115 17.832 0.691 1.809 1.00 0.00 C ATOM 1724 OE1 GLN A 115 18.914 1.216 1.560 1.00 0.00 O ATOM 1725 NE2 GLN A 115 16.991 1.178 2.689 1.00 0.00 N ATOM 0 H GLN A 115 14.593 -0.282 1.285 1.00 0.00 H new ATOM 0 HA GLN A 115 16.298 1.594 -0.053 1.00 0.00 H new ATOM 0 HB2 GLN A 115 16.170 -1.388 -0.407 1.00 0.00 H new ATOM 0 HB3 GLN A 115 17.441 -0.311 -0.951 1.00 0.00 H new ATOM 0 HG2 GLN A 115 16.755 -1.164 1.858 1.00 0.00 H new ATOM 0 HG3 GLN A 115 18.295 -1.252 1.025 1.00 0.00 H new ATOM 0 HE21 GLN A 115 16.103 0.706 2.862 1.00 0.00 H new ATOM 0 HE22 GLN A 115 17.224 2.029 3.201 1.00 0.00 H new ATOM 1734 N TYR A 116 13.803 0.164 -1.626 1.00 0.00 N ATOM 1735 CA TYR A 116 12.913 0.221 -2.777 1.00 0.00 C ATOM 1736 C TYR A 116 13.509 -0.323 -4.058 1.00 0.00 C ATOM 1737 O TYR A 116 13.942 0.423 -4.946 1.00 0.00 O ATOM 1738 CB TYR A 116 12.265 1.601 -2.992 1.00 0.00 C ATOM 1739 CG TYR A 116 11.197 1.944 -1.971 1.00 0.00 C ATOM 1740 CD1 TYR A 116 9.924 1.410 -2.084 1.00 0.00 C ATOM 1741 CD2 TYR A 116 11.460 2.785 -0.895 1.00 0.00 C ATOM 1742 CE1 TYR A 116 8.947 1.698 -1.159 1.00 0.00 C ATOM 1743 CE2 TYR A 116 10.483 3.083 0.036 1.00 0.00 C ATOM 1744 CZ TYR A 116 9.226 2.531 -0.105 1.00 0.00 C ATOM 1745 OH TYR A 116 8.248 2.799 0.832 1.00 0.00 O ATOM 0 H TYR A 116 13.436 -0.409 -0.866 1.00 0.00 H new ATOM 0 HA TYR A 116 12.109 -0.464 -2.508 1.00 0.00 H new ATOM 0 HB2 TYR A 116 13.042 2.365 -2.961 1.00 0.00 H new ATOM 0 HB3 TYR A 116 11.825 1.634 -3.989 1.00 0.00 H new ATOM 0 HD1 TYR A 116 9.694 0.756 -2.912 1.00 0.00 H new ATOM 0 HD2 TYR A 116 12.445 3.213 -0.785 1.00 0.00 H new ATOM 0 HE1 TYR A 116 7.961 1.269 -1.262 1.00 0.00 H new ATOM 0 HE2 TYR A 116 10.701 3.741 0.865 1.00 0.00 H new ATOM 0 HH TYR A 116 8.666 2.969 1.702 1.00 0.00 H new ATOM 1755 N ASP A 117 13.574 -1.616 -4.135 1.00 0.00 N ATOM 1756 CA ASP A 117 14.026 -2.273 -5.337 1.00 0.00 C ATOM 1757 C ASP A 117 12.881 -2.294 -6.325 1.00 0.00 C ATOM 1758 O ASP A 117 11.746 -2.533 -5.918 1.00 0.00 O ATOM 1759 CB ASP A 117 14.465 -3.719 -5.067 1.00 0.00 C ATOM 1760 CG ASP A 117 15.680 -3.861 -4.175 1.00 0.00 C ATOM 1761 OD1 ASP A 117 16.786 -3.509 -4.606 1.00 0.00 O ATOM 1762 OD2 ASP A 117 15.553 -4.368 -3.027 1.00 0.00 O ATOM 0 H ASP A 117 13.319 -2.248 -3.376 1.00 0.00 H new ATOM 0 HA ASP A 117 14.884 -1.725 -5.726 1.00 0.00 H new ATOM 0 HB2 ASP A 117 13.633 -4.257 -4.612 1.00 0.00 H new ATOM 0 HB3 ASP A 117 14.674 -4.204 -6.021 1.00 0.00 H new ATOM 1767 N PRO A 118 13.147 -2.087 -7.639 1.00 0.00 N ATOM 1768 CA PRO A 118 12.109 -2.080 -8.698 1.00 0.00 C ATOM 1769 C PRO A 118 11.262 -3.367 -8.720 1.00 0.00 C ATOM 1770 O PRO A 118 10.095 -3.345 -9.112 1.00 0.00 O ATOM 1771 CB PRO A 118 12.919 -1.962 -9.998 1.00 0.00 C ATOM 1772 CG PRO A 118 14.193 -1.327 -9.589 1.00 0.00 C ATOM 1773 CD PRO A 118 14.484 -1.820 -8.211 1.00 0.00 C ATOM 0 HA PRO A 118 11.393 -1.273 -8.543 1.00 0.00 H new ATOM 0 HB2 PRO A 118 13.090 -2.940 -10.448 1.00 0.00 H new ATOM 0 HB3 PRO A 118 12.395 -1.358 -10.738 1.00 0.00 H new ATOM 0 HG2 PRO A 118 14.997 -1.593 -10.275 1.00 0.00 H new ATOM 0 HG3 PRO A 118 14.108 -0.240 -9.603 1.00 0.00 H new ATOM 0 HD2 PRO A 118 15.097 -2.721 -8.230 1.00 0.00 H new ATOM 0 HD3 PRO A 118 15.027 -1.077 -7.627 1.00 0.00 H new ATOM 1781 N GLY A 119 11.817 -4.447 -8.198 1.00 0.00 N ATOM 1782 CA GLY A 119 11.118 -5.719 -8.224 1.00 0.00 C ATOM 1783 C GLY A 119 10.232 -5.815 -7.025 1.00 0.00 C ATOM 1784 O GLY A 119 9.111 -6.290 -7.097 1.00 0.00 O ATOM 0 H GLY A 119 12.736 -4.470 -7.757 1.00 0.00 H new ATOM 0 HA2 GLY A 119 10.527 -5.805 -9.136 1.00 0.00 H new ATOM 0 HA3 GLY A 119 11.834 -6.541 -8.229 1.00 0.00 H new ATOM 1788 N LEU A 120 10.713 -5.270 -5.951 1.00 0.00 N ATOM 1789 CA LEU A 120 9.938 -5.279 -4.737 1.00 0.00 C ATOM 1790 C LEU A 120 8.793 -4.304 -4.887 1.00 0.00 C ATOM 1791 O LEU A 120 7.668 -4.615 -4.537 1.00 0.00 O ATOM 1792 CB LEU A 120 10.757 -4.890 -3.527 1.00 0.00 C ATOM 1793 CG LEU A 120 9.972 -4.873 -2.228 1.00 0.00 C ATOM 1794 CD1 LEU A 120 9.546 -6.278 -1.817 1.00 0.00 C ATOM 1795 CD2 LEU A 120 10.759 -4.199 -1.147 1.00 0.00 C ATOM 0 H LEU A 120 11.625 -4.818 -5.883 1.00 0.00 H new ATOM 0 HA LEU A 120 9.578 -6.295 -4.578 1.00 0.00 H new ATOM 0 HB2 LEU A 120 11.590 -5.585 -3.427 1.00 0.00 H new ATOM 0 HB3 LEU A 120 11.185 -3.901 -3.694 1.00 0.00 H new ATOM 0 HG LEU A 120 9.061 -4.297 -2.390 1.00 0.00 H new ATOM 0 HD11 LEU A 120 8.986 -6.230 -0.883 1.00 0.00 H new ATOM 0 HD12 LEU A 120 8.917 -6.710 -2.595 1.00 0.00 H new ATOM 0 HD13 LEU A 120 10.430 -6.900 -1.678 1.00 0.00 H new ATOM 0 HD21 LEU A 120 10.180 -4.196 -0.223 1.00 0.00 H new ATOM 0 HD22 LEU A 120 11.694 -4.737 -0.988 1.00 0.00 H new ATOM 0 HD23 LEU A 120 10.977 -3.172 -1.442 1.00 0.00 H new ATOM 1807 N PHE A 121 9.104 -3.119 -5.434 1.00 0.00 N ATOM 1808 CA PHE A 121 8.105 -2.092 -5.706 1.00 0.00 C ATOM 1809 C PHE A 121 6.992 -2.675 -6.554 1.00 0.00 C ATOM 1810 O PHE A 121 5.806 -2.402 -6.308 1.00 0.00 O ATOM 1811 CB PHE A 121 8.738 -0.881 -6.410 1.00 0.00 C ATOM 1812 CG PHE A 121 7.749 0.177 -6.824 1.00 0.00 C ATOM 1813 CD1 PHE A 121 7.138 0.980 -5.880 1.00 0.00 C ATOM 1814 CD2 PHE A 121 7.424 0.357 -8.166 1.00 0.00 C ATOM 1815 CE1 PHE A 121 6.222 1.945 -6.258 1.00 0.00 C ATOM 1816 CE2 PHE A 121 6.508 1.324 -8.544 1.00 0.00 C ATOM 1817 CZ PHE A 121 5.908 2.116 -7.585 1.00 0.00 C ATOM 0 H PHE A 121 10.053 -2.853 -5.697 1.00 0.00 H new ATOM 0 HA PHE A 121 7.691 -1.749 -4.758 1.00 0.00 H new ATOM 0 HB2 PHE A 121 9.476 -0.433 -5.745 1.00 0.00 H new ATOM 0 HB3 PHE A 121 9.274 -1.227 -7.294 1.00 0.00 H new ATOM 0 HD1 PHE A 121 7.378 0.853 -4.835 1.00 0.00 H new ATOM 0 HD2 PHE A 121 7.890 -0.263 -8.918 1.00 0.00 H new ATOM 0 HE1 PHE A 121 5.753 2.565 -5.509 1.00 0.00 H new ATOM 0 HE2 PHE A 121 6.263 1.459 -9.587 1.00 0.00 H new ATOM 0 HZ PHE A 121 5.192 2.870 -7.878 1.00 0.00 H new ATOM 1827 N ALA A 122 7.392 -3.507 -7.532 1.00 0.00 N ATOM 1828 CA ALA A 122 6.474 -4.177 -8.396 1.00 0.00 C ATOM 1829 C ALA A 122 5.460 -4.978 -7.599 1.00 0.00 C ATOM 1830 O ALA A 122 4.259 -4.686 -7.681 1.00 0.00 O ATOM 1831 CB ALA A 122 7.196 -5.064 -9.394 1.00 0.00 C ATOM 0 H ALA A 122 8.371 -3.717 -7.725 1.00 0.00 H new ATOM 0 HA ALA A 122 5.938 -3.413 -8.958 1.00 0.00 H new ATOM 0 HB1 ALA A 122 6.467 -5.559 -10.036 1.00 0.00 H new ATOM 0 HB2 ALA A 122 7.863 -4.456 -10.005 1.00 0.00 H new ATOM 0 HB3 ALA A 122 7.777 -5.815 -8.859 1.00 0.00 H new ATOM 1837 N GLN A 123 5.905 -5.927 -6.771 1.00 0.00 N ATOM 1838 CA GLN A 123 4.938 -6.750 -6.093 1.00 0.00 C ATOM 1839 C GLN A 123 4.252 -6.071 -4.934 1.00 0.00 C ATOM 1840 O GLN A 123 3.061 -6.323 -4.710 1.00 0.00 O ATOM 1841 CB GLN A 123 5.437 -8.130 -5.705 1.00 0.00 C ATOM 1842 CG GLN A 123 5.786 -9.019 -6.900 1.00 0.00 C ATOM 1843 CD GLN A 123 7.209 -8.874 -7.364 1.00 0.00 C ATOM 1844 OE1 GLN A 123 8.124 -8.802 -6.436 1.00 0.00 O flip ATOM 1845 NE2 GLN A 123 7.490 -8.959 -8.565 1.00 0.00 N flip ATOM 0 H GLN A 123 6.884 -6.129 -6.569 1.00 0.00 H new ATOM 0 HA GLN A 123 4.180 -6.907 -6.861 1.00 0.00 H new ATOM 0 HB2 GLN A 123 6.319 -8.023 -5.074 1.00 0.00 H new ATOM 0 HB3 GLN A 123 4.674 -8.627 -5.105 1.00 0.00 H new ATOM 0 HG2 GLN A 123 5.604 -10.060 -6.633 1.00 0.00 H new ATOM 0 HG3 GLN A 123 5.117 -8.781 -7.727 1.00 0.00 H new ATOM 0 HE21 GLN A 123 6.746 -9.013 -9.260 1.00 0.00 H new ATOM 0 HE22 GLN A 123 8.466 -8.975 -8.860 1.00 0.00 H new ATOM 1854 N ILE A 124 4.957 -5.195 -4.207 1.00 0.00 N ATOM 1855 CA ILE A 124 4.341 -4.536 -3.060 1.00 0.00 C ATOM 1856 C ILE A 124 3.120 -3.745 -3.443 1.00 0.00 C ATOM 1857 O ILE A 124 2.050 -3.943 -2.866 1.00 0.00 O ATOM 1858 CB ILE A 124 5.305 -3.678 -2.147 1.00 0.00 C ATOM 1859 CG1 ILE A 124 5.997 -2.551 -2.904 1.00 0.00 C ATOM 1860 CG2 ILE A 124 6.337 -4.551 -1.470 1.00 0.00 C ATOM 1861 CD1 ILE A 124 6.737 -1.557 -2.023 1.00 0.00 C ATOM 0 H ILE A 124 5.926 -4.935 -4.389 1.00 0.00 H new ATOM 0 HA ILE A 124 4.042 -5.374 -2.431 1.00 0.00 H new ATOM 0 HB ILE A 124 4.669 -3.218 -1.391 1.00 0.00 H new ATOM 0 HG12 ILE A 124 6.704 -2.986 -3.611 1.00 0.00 H new ATOM 0 HG13 ILE A 124 5.251 -2.013 -3.489 1.00 0.00 H new ATOM 0 HG21 ILE A 124 6.985 -3.933 -0.849 1.00 0.00 H new ATOM 0 HG22 ILE A 124 5.835 -5.291 -0.846 1.00 0.00 H new ATOM 0 HG23 ILE A 124 6.936 -5.060 -2.226 1.00 0.00 H new ATOM 0 HD11 ILE A 124 7.198 -0.791 -2.647 1.00 0.00 H new ATOM 0 HD12 ILE A 124 6.035 -1.089 -1.333 1.00 0.00 H new ATOM 0 HD13 ILE A 124 7.509 -2.077 -1.457 1.00 0.00 H new ATOM 1873 N GLN A 125 3.218 -2.932 -4.459 1.00 0.00 N ATOM 1874 CA GLN A 125 2.089 -2.121 -4.755 1.00 0.00 C ATOM 1875 C GLN A 125 1.042 -2.831 -5.583 1.00 0.00 C ATOM 1876 O GLN A 125 -0.148 -2.544 -5.441 1.00 0.00 O ATOM 1877 CB GLN A 125 2.476 -0.739 -5.255 1.00 0.00 C ATOM 1878 CG GLN A 125 3.226 -0.627 -6.576 1.00 0.00 C ATOM 1879 CD GLN A 125 2.328 -0.599 -7.786 1.00 0.00 C ATOM 1880 OE1 GLN A 125 1.837 0.580 -8.092 1.00 0.00 O flip ATOM 1881 NE2 GLN A 125 2.039 -1.620 -8.404 1.00 0.00 N flip ATOM 0 H GLN A 125 4.030 -2.820 -5.066 1.00 0.00 H new ATOM 0 HA GLN A 125 1.584 -1.935 -3.807 1.00 0.00 H new ATOM 0 HB2 GLN A 125 1.563 -0.150 -5.341 1.00 0.00 H new ATOM 0 HB3 GLN A 125 3.088 -0.268 -4.486 1.00 0.00 H new ATOM 0 HG2 GLN A 125 3.831 0.279 -6.564 1.00 0.00 H new ATOM 0 HG3 GLN A 125 3.914 -1.468 -6.665 1.00 0.00 H new ATOM 0 HE21 GLN A 125 2.446 -2.514 -8.130 1.00 0.00 H new ATOM 0 HE22 GLN A 125 1.392 -1.574 -9.192 1.00 0.00 H new ATOM 1890 N ALA A 126 1.470 -3.795 -6.397 1.00 0.00 N ATOM 1891 CA ALA A 126 0.538 -4.570 -7.209 1.00 0.00 C ATOM 1892 C ALA A 126 -0.348 -5.420 -6.325 1.00 0.00 C ATOM 1893 O ALA A 126 -1.573 -5.406 -6.460 1.00 0.00 O ATOM 1894 CB ALA A 126 1.271 -5.443 -8.214 1.00 0.00 C ATOM 0 H ALA A 126 2.450 -4.056 -6.510 1.00 0.00 H new ATOM 0 HA ALA A 126 -0.083 -3.868 -7.765 1.00 0.00 H new ATOM 0 HB1 ALA A 126 0.547 -6.007 -8.802 1.00 0.00 H new ATOM 0 HB2 ALA A 126 1.866 -4.814 -8.876 1.00 0.00 H new ATOM 0 HB3 ALA A 126 1.926 -6.135 -7.685 1.00 0.00 H new ATOM 1900 N ALA A 127 0.273 -6.112 -5.374 1.00 0.00 N ATOM 1901 CA ALA A 127 -0.459 -6.989 -4.475 1.00 0.00 C ATOM 1902 C ALA A 127 -1.356 -6.173 -3.558 1.00 0.00 C ATOM 1903 O ALA A 127 -2.453 -6.625 -3.190 1.00 0.00 O ATOM 1904 CB ALA A 127 0.492 -7.855 -3.658 1.00 0.00 C ATOM 0 H ALA A 127 1.279 -6.080 -5.209 1.00 0.00 H new ATOM 0 HA ALA A 127 -1.081 -7.651 -5.078 1.00 0.00 H new ATOM 0 HB1 ALA A 127 -0.083 -8.501 -2.994 1.00 0.00 H new ATOM 0 HB2 ALA A 127 1.094 -8.468 -4.329 1.00 0.00 H new ATOM 0 HB3 ALA A 127 1.147 -7.217 -3.065 1.00 0.00 H new ATOM 1910 N ALA A 128 -0.898 -4.956 -3.214 1.00 0.00 N ATOM 1911 CA ALA A 128 -1.643 -4.076 -2.358 1.00 0.00 C ATOM 1912 C ALA A 128 -2.971 -3.715 -2.984 1.00 0.00 C ATOM 1913 O ALA A 128 -3.953 -4.091 -2.490 1.00 0.00 O ATOM 1914 CB ALA A 128 -0.851 -2.819 -2.052 1.00 0.00 C ATOM 0 H ALA A 128 -0.005 -4.576 -3.530 1.00 0.00 H new ATOM 0 HA ALA A 128 -1.831 -4.602 -1.422 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -1.437 -2.169 -1.402 1.00 0.00 H new ATOM 0 HB2 ALA A 128 0.080 -3.088 -1.552 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -0.626 -2.296 -2.981 1.00 0.00 H new ATOM 1920 N THR A 129 -2.972 -3.062 -4.106 1.00 0.00 N ATOM 1921 CA THR A 129 -4.244 -2.651 -4.725 1.00 0.00 C ATOM 1922 C THR A 129 -5.155 -3.874 -5.091 1.00 0.00 C ATOM 1923 O THR A 129 -6.439 -3.830 -4.938 1.00 0.00 O ATOM 1924 CB THR A 129 -3.997 -1.698 -5.934 1.00 0.00 C ATOM 1925 OG1 THR A 129 -5.224 -1.363 -6.590 1.00 0.00 O ATOM 1926 CG2 THR A 129 -3.002 -2.286 -6.941 1.00 0.00 C ATOM 0 H THR A 129 -2.134 -2.795 -4.622 1.00 0.00 H new ATOM 0 HA THR A 129 -4.802 -2.084 -3.980 1.00 0.00 H new ATOM 0 HB THR A 129 -3.558 -0.787 -5.527 1.00 0.00 H new ATOM 0 HG1 THR A 129 -5.327 -1.915 -7.393 1.00 0.00 H new ATOM 0 HG21 THR A 129 -2.862 -1.586 -7.765 1.00 0.00 H new ATOM 0 HG22 THR A 129 -2.046 -2.461 -6.448 1.00 0.00 H new ATOM 0 HG23 THR A 129 -3.389 -3.229 -7.327 1.00 0.00 H new ATOM 1934 N LYS A 130 -4.476 -4.993 -5.376 1.00 0.00 N ATOM 1935 CA LYS A 130 -5.104 -6.250 -5.798 1.00 0.00 C ATOM 1936 C LYS A 130 -5.946 -6.772 -4.656 1.00 0.00 C ATOM 1937 O LYS A 130 -6.911 -7.492 -4.838 1.00 0.00 O ATOM 1938 CB LYS A 130 -4.011 -7.255 -6.174 1.00 0.00 C ATOM 1939 CG LYS A 130 -4.494 -8.610 -6.655 1.00 0.00 C ATOM 1940 CD LYS A 130 -3.307 -9.529 -6.913 1.00 0.00 C ATOM 1941 CE LYS A 130 -3.744 -10.883 -7.428 1.00 0.00 C ATOM 1942 NZ LYS A 130 -2.599 -11.795 -7.657 1.00 0.00 N ATOM 0 H LYS A 130 -3.459 -5.050 -5.319 1.00 0.00 H new ATOM 0 HA LYS A 130 -5.742 -6.092 -6.668 1.00 0.00 H new ATOM 0 HB2 LYS A 130 -3.392 -6.814 -6.955 1.00 0.00 H new ATOM 0 HB3 LYS A 130 -3.370 -7.407 -5.306 1.00 0.00 H new ATOM 0 HG2 LYS A 130 -5.153 -9.055 -5.910 1.00 0.00 H new ATOM 0 HG3 LYS A 130 -5.078 -8.493 -7.568 1.00 0.00 H new ATOM 0 HD2 LYS A 130 -2.638 -9.064 -7.637 1.00 0.00 H new ATOM 0 HD3 LYS A 130 -2.740 -9.657 -5.991 1.00 0.00 H new ATOM 0 HE2 LYS A 130 -4.430 -11.337 -6.713 1.00 0.00 H new ATOM 0 HE3 LYS A 130 -4.295 -10.754 -8.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 -2.948 -12.709 -8.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 -1.957 -11.376 -8.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 -2.087 -11.941 -6.763 1.00 0.00 H new ATOM 1956 N ALA A 131 -5.523 -6.429 -3.502 1.00 0.00 N ATOM 1957 CA ALA A 131 -6.198 -6.639 -2.275 1.00 0.00 C ATOM 1958 C ALA A 131 -7.186 -5.495 -2.055 1.00 0.00 C ATOM 1959 O ALA A 131 -8.413 -5.710 -2.063 1.00 0.00 O ATOM 1960 CB ALA A 131 -5.114 -6.623 -1.263 1.00 0.00 C ATOM 0 H ALA A 131 -4.627 -5.958 -3.377 1.00 0.00 H new ATOM 0 HA ALA A 131 -6.770 -7.566 -2.234 1.00 0.00 H new ATOM 0 HB1 ALA A 131 -5.539 -6.779 -0.272 1.00 0.00 H new ATOM 0 HB2 ALA A 131 -4.401 -7.418 -1.481 1.00 0.00 H new ATOM 0 HB3 ALA A 131 -4.604 -5.660 -1.292 1.00 0.00 H new ATOM 1966 N TRP A 132 -6.641 -4.272 -2.027 1.00 0.00 N ATOM 1967 CA TRP A 132 -7.303 -3.026 -1.645 1.00 0.00 C ATOM 1968 C TRP A 132 -8.373 -2.525 -2.626 1.00 0.00 C ATOM 1969 O TRP A 132 -8.586 -1.333 -2.768 1.00 0.00 O ATOM 1970 CB TRP A 132 -6.305 -1.891 -1.342 1.00 0.00 C ATOM 1971 CG TRP A 132 -5.352 -2.191 -0.234 1.00 0.00 C ATOM 1972 CD1 TRP A 132 -4.890 -3.394 0.082 1.00 0.00 C ATOM 1973 CD2 TRP A 132 -4.741 -1.292 0.701 1.00 0.00 C ATOM 1974 NE1 TRP A 132 -3.975 -3.340 1.011 1.00 0.00 N ATOM 1975 CE2 TRP A 132 -3.855 -2.071 1.453 1.00 0.00 C ATOM 1976 CE3 TRP A 132 -4.812 0.083 0.974 1.00 0.00 C ATOM 1977 CZ2 TRP A 132 -3.045 -1.538 2.431 1.00 0.00 C ATOM 1978 CZ3 TRP A 132 -4.019 0.587 1.949 1.00 0.00 C ATOM 1979 CH2 TRP A 132 -3.148 -0.213 2.654 1.00 0.00 C ATOM 0 H TRP A 132 -5.666 -4.121 -2.287 1.00 0.00 H new ATOM 0 HA TRP A 132 -7.828 -3.299 -0.730 1.00 0.00 H new ATOM 0 HB2 TRP A 132 -5.736 -1.672 -2.246 1.00 0.00 H new ATOM 0 HB3 TRP A 132 -6.864 -0.989 -1.091 1.00 0.00 H new ATOM 0 HD1 TRP A 132 -5.231 -4.311 -0.376 1.00 0.00 H new ATOM 0 HE1 TRP A 132 -3.434 -4.135 1.351 1.00 0.00 H new ATOM 0 HE3 TRP A 132 -5.483 0.723 0.420 1.00 0.00 H new ATOM 0 HZ2 TRP A 132 -2.359 -2.154 2.993 1.00 0.00 H new ATOM 0 HZ3 TRP A 132 -4.071 1.641 2.179 1.00 0.00 H new ATOM 0 HH2 TRP A 132 -2.525 0.237 3.413 1.00 0.00 H new ATOM 1990 N ARG A 133 -8.986 -3.402 -3.326 1.00 0.00 N ATOM 1991 CA ARG A 133 -10.192 -3.026 -4.076 1.00 0.00 C ATOM 1992 C ARG A 133 -11.560 -3.673 -3.619 1.00 0.00 C ATOM 1993 O ARG A 133 -12.548 -2.974 -3.535 1.00 0.00 O ATOM 1994 CB ARG A 133 -9.990 -3.079 -5.629 1.00 0.00 C ATOM 1995 CG ARG A 133 -11.285 -2.928 -6.488 1.00 0.00 C ATOM 1996 CD ARG A 133 -12.083 -4.230 -6.589 1.00 0.00 C ATOM 1997 NE ARG A 133 -13.501 -4.021 -6.977 1.00 0.00 N ATOM 1998 CZ ARG A 133 -14.214 -4.829 -7.784 1.00 0.00 C ATOM 1999 NH1 ARG A 133 -13.638 -5.853 -8.379 1.00 0.00 N ATOM 2000 NH2 ARG A 133 -15.505 -4.603 -7.975 1.00 0.00 N ATOM 0 H ARG A 133 -8.704 -4.378 -3.416 1.00 0.00 H new ATOM 0 HA ARG A 133 -10.318 -1.982 -3.790 1.00 0.00 H new ATOM 0 HB2 ARG A 133 -9.294 -2.290 -5.913 1.00 0.00 H new ATOM 0 HB3 ARG A 133 -9.517 -4.028 -5.883 1.00 0.00 H new ATOM 0 HG2 ARG A 133 -11.916 -2.153 -6.053 1.00 0.00 H new ATOM 0 HG3 ARG A 133 -11.015 -2.594 -7.490 1.00 0.00 H new ATOM 0 HD2 ARG A 133 -11.606 -4.884 -7.319 1.00 0.00 H new ATOM 0 HD3 ARG A 133 -12.048 -4.745 -5.629 1.00 0.00 H new ATOM 0 HE ARG A 133 -13.973 -3.198 -6.602 1.00 0.00 H new ATOM 0 HH11 ARG A 133 -12.646 -6.038 -8.230 1.00 0.00 H new ATOM 0 HH12 ARG A 133 -14.184 -6.461 -8.989 1.00 0.00 H new ATOM 0 HH21 ARG A 133 -15.959 -3.817 -7.511 1.00 0.00 H new ATOM 0 HH22 ARG A 133 -16.045 -5.215 -8.586 1.00 0.00 H new ATOM 2014 N LYS A 134 -11.571 -4.953 -3.273 1.00 0.00 N ATOM 2015 CA LYS A 134 -12.850 -5.807 -3.318 1.00 0.00 C ATOM 2016 C LYS A 134 -14.146 -5.501 -2.451 1.00 0.00 C ATOM 2017 O LYS A 134 -15.006 -6.371 -2.401 1.00 0.00 O ATOM 2018 CB LYS A 134 -12.572 -7.334 -3.275 1.00 0.00 C ATOM 2019 CG LYS A 134 -12.172 -7.965 -4.595 1.00 0.00 C ATOM 2020 CD LYS A 134 -10.903 -7.387 -5.126 1.00 0.00 C ATOM 2021 CE LYS A 134 -9.733 -7.736 -4.260 1.00 0.00 C ATOM 2022 NZ LYS A 134 -9.277 -9.137 -4.453 1.00 0.00 N ATOM 0 H LYS A 134 -10.744 -5.459 -2.956 1.00 0.00 H new ATOM 0 HA LYS A 134 -13.164 -5.427 -4.290 1.00 0.00 H new ATOM 0 HB2 LYS A 134 -11.781 -7.521 -2.549 1.00 0.00 H new ATOM 0 HB3 LYS A 134 -13.466 -7.838 -2.908 1.00 0.00 H new ATOM 0 HG2 LYS A 134 -12.053 -9.040 -4.462 1.00 0.00 H new ATOM 0 HG3 LYS A 134 -12.970 -7.820 -5.323 1.00 0.00 H new ATOM 0 HD2 LYS A 134 -10.730 -7.755 -6.137 1.00 0.00 H new ATOM 0 HD3 LYS A 134 -10.996 -6.303 -5.193 1.00 0.00 H new ATOM 0 HE2 LYS A 134 -8.909 -7.056 -4.478 1.00 0.00 H new ATOM 0 HE3 LYS A 134 -10.002 -7.586 -3.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 -8.251 -9.194 -4.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 -9.770 -9.758 -3.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 -9.490 -9.441 -5.424 1.00 0.00 H new ATOM 2036 N LEU A 135 -14.351 -4.352 -1.821 1.00 0.00 N ATOM 2037 CA LEU A 135 -15.622 -4.209 -1.038 1.00 0.00 C ATOM 2038 C LEU A 135 -16.645 -3.179 -1.542 1.00 0.00 C ATOM 2039 O LEU A 135 -16.345 -1.997 -1.655 1.00 0.00 O ATOM 2040 CB LEU A 135 -15.486 -4.154 0.517 1.00 0.00 C ATOM 2041 CG LEU A 135 -14.393 -3.298 1.183 1.00 0.00 C ATOM 2042 CD1 LEU A 135 -13.065 -3.920 1.019 1.00 0.00 C ATOM 2043 CD2 LEU A 135 -14.358 -1.882 0.698 1.00 0.00 C ATOM 0 H LEU A 135 -13.723 -3.548 -1.817 1.00 0.00 H new ATOM 0 HA LEU A 135 -16.051 -5.184 -1.270 1.00 0.00 H new ATOM 0 HB2 LEU A 135 -16.444 -3.813 0.910 1.00 0.00 H new ATOM 0 HB3 LEU A 135 -15.346 -5.178 0.863 1.00 0.00 H new ATOM 0 HG LEU A 135 -14.653 -3.259 2.241 1.00 0.00 H new ATOM 0 HD11 LEU A 135 -12.310 -3.297 1.498 1.00 0.00 H new ATOM 0 HD12 LEU A 135 -13.066 -4.908 1.480 1.00 0.00 H new ATOM 0 HD13 LEU A 135 -12.837 -4.016 -0.043 1.00 0.00 H new ATOM 0 HD21 LEU A 135 -13.563 -1.341 1.212 1.00 0.00 H new ATOM 0 HD22 LEU A 135 -14.170 -1.870 -0.376 1.00 0.00 H new ATOM 0 HD23 LEU A 135 -15.315 -1.403 0.904 1.00 0.00 H new ATOM 2055 N PRO A 136 -17.899 -3.631 -1.849 1.00 0.00 N ATOM 2056 CA PRO A 136 -18.999 -2.716 -2.214 1.00 0.00 C ATOM 2057 C PRO A 136 -19.490 -1.937 -0.975 1.00 0.00 C ATOM 2058 O PRO A 136 -19.999 -0.804 -1.065 1.00 0.00 O ATOM 2059 CB PRO A 136 -20.104 -3.657 -2.735 1.00 0.00 C ATOM 2060 CG PRO A 136 -19.450 -4.997 -2.912 1.00 0.00 C ATOM 2061 CD PRO A 136 -18.322 -5.051 -1.935 1.00 0.00 C ATOM 0 HA PRO A 136 -18.700 -1.968 -2.948 1.00 0.00 H new ATOM 0 HB2 PRO A 136 -20.932 -3.716 -2.029 1.00 0.00 H new ATOM 0 HB3 PRO A 136 -20.514 -3.294 -3.678 1.00 0.00 H new ATOM 0 HG2 PRO A 136 -20.161 -5.803 -2.729 1.00 0.00 H new ATOM 0 HG3 PRO A 136 -19.086 -5.119 -3.932 1.00 0.00 H new ATOM 0 HD2 PRO A 136 -18.642 -5.438 -0.967 1.00 0.00 H new ATOM 0 HD3 PRO A 136 -17.514 -5.694 -2.284 1.00 0.00 H new ATOM 2069 N VAL A 137 -19.349 -2.581 0.162 1.00 0.00 N ATOM 2070 CA VAL A 137 -19.630 -1.987 1.459 1.00 0.00 C ATOM 2071 C VAL A 137 -18.581 -0.917 1.670 1.00 0.00 C ATOM 2072 O VAL A 137 -17.440 -1.110 1.283 1.00 0.00 O ATOM 2073 CB VAL A 137 -19.462 -3.042 2.584 1.00 0.00 C ATOM 2074 CG1 VAL A 137 -19.846 -2.498 3.959 1.00 0.00 C ATOM 2075 CG2 VAL A 137 -20.229 -4.305 2.272 1.00 0.00 C ATOM 0 H VAL A 137 -19.031 -3.549 0.217 1.00 0.00 H new ATOM 0 HA VAL A 137 -20.647 -1.597 1.487 1.00 0.00 H new ATOM 0 HB VAL A 137 -18.400 -3.286 2.623 1.00 0.00 H new ATOM 0 HG11 VAL A 137 -19.710 -3.277 4.709 1.00 0.00 H new ATOM 0 HG12 VAL A 137 -19.213 -1.645 4.203 1.00 0.00 H new ATOM 0 HG13 VAL A 137 -20.890 -2.184 3.947 1.00 0.00 H new ATOM 0 HG21 VAL A 137 -20.090 -5.024 3.080 1.00 0.00 H new ATOM 0 HG22 VAL A 137 -21.289 -4.072 2.172 1.00 0.00 H new ATOM 0 HG23 VAL A 137 -19.862 -4.733 1.339 1.00 0.00 H new ATOM 2085 N LYS A 138 -18.909 0.155 2.314 1.00 0.00 N ATOM 2086 CA LYS A 138 -17.947 1.213 2.440 1.00 0.00 C ATOM 2087 C LYS A 138 -17.838 1.664 3.880 1.00 0.00 C ATOM 2088 O LYS A 138 -16.780 2.109 4.325 1.00 0.00 O ATOM 2089 CB LYS A 138 -18.199 2.401 1.476 1.00 0.00 C ATOM 2090 CG LYS A 138 -19.585 3.072 1.544 1.00 0.00 C ATOM 2091 CD LYS A 138 -20.663 2.256 0.840 1.00 0.00 C ATOM 2092 CE LYS A 138 -20.550 2.393 -0.664 1.00 0.00 C ATOM 2093 NZ LYS A 138 -21.499 1.527 -1.371 1.00 0.00 N ATOM 0 H LYS A 138 -19.813 0.325 2.754 1.00 0.00 H new ATOM 0 HA LYS A 138 -16.986 0.800 2.134 1.00 0.00 H new ATOM 0 HB2 LYS A 138 -17.444 3.162 1.671 1.00 0.00 H new ATOM 0 HB3 LYS A 138 -18.042 2.050 0.456 1.00 0.00 H new ATOM 0 HG2 LYS A 138 -19.865 3.215 2.588 1.00 0.00 H new ATOM 0 HG3 LYS A 138 -19.529 4.062 1.091 1.00 0.00 H new ATOM 0 HD2 LYS A 138 -20.572 1.207 1.121 1.00 0.00 H new ATOM 0 HD3 LYS A 138 -21.648 2.589 1.166 1.00 0.00 H new ATOM 0 HE2 LYS A 138 -20.727 3.431 -0.947 1.00 0.00 H new ATOM 0 HE3 LYS A 138 -19.535 2.147 -0.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 -21.622 1.869 -2.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 -21.133 0.554 -1.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 -22.416 1.543 -0.880 1.00 0.00 H new ATOM 2107 N GLY A 139 -18.928 1.519 4.599 1.00 0.00 N ATOM 2108 CA GLY A 139 -18.973 1.863 5.990 1.00 0.00 C ATOM 2109 C GLY A 139 -20.350 1.635 6.539 1.00 0.00 C ATOM 2110 O GLY A 139 -20.608 0.641 7.217 1.00 0.00 O ATOM 0 H GLY A 139 -19.807 1.158 4.229 1.00 0.00 H new ATOM 0 HA2 GLY A 139 -18.250 1.264 6.543 1.00 0.00 H new ATOM 0 HA3 GLY A 139 -18.690 2.907 6.123 1.00 0.00 H new ATOM 2114 N ASP A 140 -21.235 2.536 6.214 1.00 0.00 N ATOM 2115 CA ASP A 140 -22.608 2.448 6.608 1.00 0.00 C ATOM 2116 C ASP A 140 -23.449 3.065 5.520 1.00 0.00 C ATOM 2117 O ASP A 140 -23.815 4.254 5.599 1.00 0.00 O ATOM 2118 CB ASP A 140 -22.843 3.106 7.969 1.00 0.00 C ATOM 2119 CG ASP A 140 -24.251 2.922 8.475 1.00 0.00 C ATOM 2120 OD1 ASP A 140 -24.711 1.772 8.580 1.00 0.00 O ATOM 2121 OD2 ASP A 140 -24.926 3.933 8.777 1.00 0.00 O ATOM 2122 OXT ASP A 140 -23.668 2.375 4.507 1.00 0.00 O ATOM 0 H ASP A 140 -21.016 3.364 5.659 1.00 0.00 H new ATOM 0 HA ASP A 140 -22.895 1.404 6.733 1.00 0.00 H new ATOM 0 HB2 ASP A 140 -22.144 2.688 8.694 1.00 0.00 H new ATOM 0 HB3 ASP A 140 -22.626 4.171 7.894 1.00 0.00 H new TER 2127 ASP A 140