USER MOD reduce.3.24.130724 H: found=0, std=0, add=1035, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 1037 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 100 ASN : amide:sc= -10.4! C(o=-16!,f=-23!) USER MOD Set 1.2: A 119 TYR OH : rot -70:sc= -5.2! USER MOD Set 2.1: A 87 ASN : amide:sc= 0.139 X(o=0.14,f=-0.16) USER MOD Set 2.2: A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 5 THR OG1 : rot 180:sc=-0.00224 USER MOD Set 3.2: A 39 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.2: A 35 ASN :FLIP amide:sc= -0.11 F(o=-2.3!,f=-0.11) USER MOD Single : A 4 SER OG : rot 91:sc= 0.795 USER MOD Single : A 11 SER OG : rot 71:sc= 0.295 USER MOD Single : A 13 ASN : amide:sc= -6.23! C(o=-6.2!,f=-21!) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 MET CE :methyl -127:sc= -1.18 (180deg=-5.79!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 MET CE :methyl -166:sc= -0.0333 (180deg=-0.201) USER MOD Single : A 24 ASN : amide:sc= -0.384 X(o=-0.38,f=-0.52) USER MOD Single : A 27 LYS NZ :NH3+ -144:sc= 0 (180deg=-0.105) USER MOD Single : A 29 LYS NZ :NH3+ -162:sc= -0.0216 (180deg=-0.466) USER MOD Single : A 33 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc=-0.00929 X(o=-0.0093,f=0) USER MOD Single : A 45 ASN :FLIP amide:sc= -0.598 F(o=-1.8!,f=-0.6) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 180:sc= -0.0887 USER MOD Single : A 50 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.137) USER MOD Single : A 52 SER OG : rot -32:sc= -0.319! USER MOD Single : A 53 SER OG : rot 180:sc= 0.461 USER MOD Single : A 57 ASN : amide:sc= -1.33 K(o=-1.3,f=-6.2!) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0.066 USER MOD Single : A 69 ASN :FLIP amide:sc= -0.171 F(o=-0.81,f=-0.17) USER MOD Single : A 71 ASN : amide:sc= -2.68! C(o=-2.7!,f=-7.6!) USER MOD Single : A 76 THR OG1 : rot 180:sc= -0.705 USER MOD Single : A 81 THR OG1 : rot -84:sc= -1.84! USER MOD Single : A 83 SER OG : rot -178:sc= -1.38 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 THR OG1 : rot -140:sc= -1.34 USER MOD Single : A 98 ASN : amide:sc= -0.347 K(o=-0.35,f=-1.4) USER MOD Single : A 103 ASN :FLIP amide:sc= -0.472 F(o=-1.1!,f=-0.47) USER MOD Single : A 104 THR OG1 : rot 56:sc= -0.614! USER MOD Single : A 115 GLN : amide:sc= -0.115 K(o=-0.11,f=-2.5!) USER MOD Single : A 116 THR OG1 : rot 180:sc=-0.00656 USER MOD Single : A 117 TYR OH : rot 180:sc= -2.75 USER MOD Single : A 125 LYS NZ :NH3+ -150:sc= 1.18 (180deg=0.272) USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 130 LYS NZ :NH3+ 143:sc= -0.536! (180deg=-2.96!) USER MOD ----------------------------------------------------------------- ATOM 33 N ASP A 3 114.464 7.554 -9.665 1.00 0.00 N ATOM 34 CA ASP A 3 113.731 8.679 -10.310 1.00 0.00 C ATOM 35 C ASP A 3 113.084 8.191 -11.609 1.00 0.00 C ATOM 36 O ASP A 3 113.714 8.151 -12.647 1.00 0.00 O ATOM 37 CB ASP A 3 114.711 9.812 -10.624 1.00 0.00 C ATOM 38 CG ASP A 3 114.888 10.693 -9.385 1.00 0.00 C ATOM 39 OD1 ASP A 3 115.131 11.875 -9.554 1.00 0.00 O ATOM 40 OD2 ASP A 3 114.778 10.168 -8.289 1.00 0.00 O ATOM 0 HA ASP A 3 112.957 9.043 -9.634 1.00 0.00 H new ATOM 0 HB2 ASP A 3 115.673 9.401 -10.931 1.00 0.00 H new ATOM 0 HB3 ASP A 3 114.339 10.408 -11.457 1.00 0.00 H new ATOM 45 N SER A 4 111.831 7.821 -11.561 1.00 0.00 N ATOM 46 CA SER A 4 111.150 7.339 -12.799 1.00 0.00 C ATOM 47 C SER A 4 109.888 6.553 -12.425 1.00 0.00 C ATOM 48 O SER A 4 109.416 6.612 -11.306 1.00 0.00 O ATOM 49 CB SER A 4 112.104 6.435 -13.585 1.00 0.00 C ATOM 50 OG SER A 4 112.805 7.215 -14.544 1.00 0.00 O ATOM 0 H SER A 4 111.252 7.832 -10.722 1.00 0.00 H new ATOM 0 HA SER A 4 110.869 8.195 -13.413 1.00 0.00 H new ATOM 0 HB2 SER A 4 112.808 5.952 -12.907 1.00 0.00 H new ATOM 0 HB3 SER A 4 111.545 5.642 -14.082 1.00 0.00 H new ATOM 0 HG SER A 4 113.636 7.552 -14.148 1.00 0.00 H new ATOM 56 N THR A 5 109.340 5.817 -13.358 1.00 0.00 N ATOM 57 CA THR A 5 108.110 5.026 -13.065 1.00 0.00 C ATOM 58 C THR A 5 108.480 3.552 -12.892 1.00 0.00 C ATOM 59 O THR A 5 109.319 3.025 -13.597 1.00 0.00 O ATOM 60 CB THR A 5 107.122 5.174 -14.225 1.00 0.00 C ATOM 61 OG1 THR A 5 106.609 6.497 -14.242 1.00 0.00 O ATOM 62 CG2 THR A 5 105.973 4.180 -14.046 1.00 0.00 C ATOM 0 H THR A 5 109.693 5.731 -14.311 1.00 0.00 H new ATOM 0 HA THR A 5 107.650 5.393 -12.147 1.00 0.00 H new ATOM 0 HB THR A 5 107.632 4.971 -15.167 1.00 0.00 H new ATOM 0 HG1 THR A 5 105.978 6.594 -14.985 1.00 0.00 H new ATOM 0 HG21 THR A 5 105.269 4.285 -14.872 1.00 0.00 H new ATOM 0 HG22 THR A 5 106.369 3.165 -14.034 1.00 0.00 H new ATOM 0 HG23 THR A 5 105.461 4.381 -13.105 1.00 0.00 H new ATOM 70 N TRP A 6 107.864 2.883 -11.955 1.00 0.00 N ATOM 71 CA TRP A 6 108.184 1.445 -11.729 1.00 0.00 C ATOM 72 C TRP A 6 106.930 0.716 -11.243 1.00 0.00 C ATOM 73 O TRP A 6 105.939 1.329 -10.903 1.00 0.00 O ATOM 74 CB TRP A 6 109.280 1.322 -10.675 1.00 0.00 C ATOM 75 CG TRP A 6 110.344 2.344 -10.927 1.00 0.00 C ATOM 76 CD1 TRP A 6 110.194 3.680 -10.776 1.00 0.00 C ATOM 77 CD2 TRP A 6 111.720 2.133 -11.355 1.00 0.00 C ATOM 78 NE1 TRP A 6 111.390 4.302 -11.092 1.00 0.00 N ATOM 79 CE2 TRP A 6 112.361 3.389 -11.454 1.00 0.00 C ATOM 80 CE3 TRP A 6 112.464 0.983 -11.666 1.00 0.00 C ATOM 81 CZ2 TRP A 6 113.696 3.499 -11.847 1.00 0.00 C ATOM 82 CZ3 TRP A 6 113.806 1.088 -12.060 1.00 0.00 C ATOM 83 CH2 TRP A 6 114.422 2.344 -12.152 1.00 0.00 C ATOM 0 H TRP A 6 107.152 3.271 -11.336 1.00 0.00 H new ATOM 0 HA TRP A 6 108.528 1.001 -12.663 1.00 0.00 H new ATOM 0 HB2 TRP A 6 108.857 1.462 -9.680 1.00 0.00 H new ATOM 0 HB3 TRP A 6 109.711 0.321 -10.701 1.00 0.00 H new ATOM 0 HD1 TRP A 6 109.290 4.179 -10.461 1.00 0.00 H new ATOM 0 HE1 TRP A 6 111.536 5.311 -11.061 1.00 0.00 H new ATOM 0 HE3 TRP A 6 111.999 0.010 -11.601 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 114.165 4.470 -11.915 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 114.368 0.196 -12.294 1.00 0.00 H new ATOM 0 HH2 TRP A 6 115.455 2.419 -12.458 1.00 0.00 H new ATOM 94 N LYS A 7 106.963 -0.590 -11.206 1.00 0.00 N ATOM 95 CA LYS A 7 105.773 -1.349 -10.741 1.00 0.00 C ATOM 96 C LYS A 7 106.223 -2.690 -10.167 1.00 0.00 C ATOM 97 O LYS A 7 107.015 -3.392 -10.764 1.00 0.00 O ATOM 98 CB LYS A 7 104.827 -1.586 -11.920 1.00 0.00 C ATOM 99 CG LYS A 7 105.381 -2.702 -12.808 1.00 0.00 C ATOM 100 CD LYS A 7 104.745 -2.614 -14.197 1.00 0.00 C ATOM 101 CE LYS A 7 104.834 -3.976 -14.888 1.00 0.00 C ATOM 102 NZ LYS A 7 103.659 -4.808 -14.501 1.00 0.00 N ATOM 0 H LYS A 7 107.764 -1.161 -11.478 1.00 0.00 H new ATOM 0 HA LYS A 7 105.253 -0.780 -9.970 1.00 0.00 H new ATOM 0 HB2 LYS A 7 103.836 -1.856 -11.555 1.00 0.00 H new ATOM 0 HB3 LYS A 7 104.715 -0.669 -12.499 1.00 0.00 H new ATOM 0 HG2 LYS A 7 106.465 -2.614 -12.887 1.00 0.00 H new ATOM 0 HG3 LYS A 7 105.171 -3.674 -12.362 1.00 0.00 H new ATOM 0 HD2 LYS A 7 103.703 -2.305 -14.112 1.00 0.00 H new ATOM 0 HD3 LYS A 7 105.254 -1.858 -14.794 1.00 0.00 H new ATOM 0 HE2 LYS A 7 104.860 -3.846 -15.970 1.00 0.00 H new ATOM 0 HE3 LYS A 7 105.758 -4.479 -14.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 103.719 -5.734 -14.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 103.653 -4.943 -13.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 102.783 -4.329 -14.792 1.00 0.00 H new ATOM 116 N VAL A 8 105.731 -3.053 -9.014 1.00 0.00 N ATOM 117 CA VAL A 8 106.141 -4.348 -8.411 1.00 0.00 C ATOM 118 C VAL A 8 106.294 -5.399 -9.508 1.00 0.00 C ATOM 119 O VAL A 8 105.329 -5.893 -10.056 1.00 0.00 O ATOM 120 CB VAL A 8 105.084 -4.795 -7.397 1.00 0.00 C ATOM 121 CG1 VAL A 8 103.705 -4.319 -7.850 1.00 0.00 C ATOM 122 CG2 VAL A 8 105.086 -6.323 -7.284 1.00 0.00 C ATOM 0 H VAL A 8 105.065 -2.509 -8.466 1.00 0.00 H new ATOM 0 HA VAL A 8 107.097 -4.228 -7.901 1.00 0.00 H new ATOM 0 HB VAL A 8 105.316 -4.362 -6.424 1.00 0.00 H new ATOM 0 HG11 VAL A 8 102.954 -4.638 -7.127 1.00 0.00 H new ATOM 0 HG12 VAL A 8 103.701 -3.231 -7.921 1.00 0.00 H new ATOM 0 HG13 VAL A 8 103.475 -4.747 -8.825 1.00 0.00 H new ATOM 0 HG21 VAL A 8 104.332 -6.635 -6.561 1.00 0.00 H new ATOM 0 HG22 VAL A 8 104.859 -6.760 -8.257 1.00 0.00 H new ATOM 0 HG23 VAL A 8 106.068 -6.662 -6.954 1.00 0.00 H new ATOM 132 N ASP A 9 107.510 -5.749 -9.821 1.00 0.00 N ATOM 133 CA ASP A 9 107.746 -6.776 -10.868 1.00 0.00 C ATOM 134 C ASP A 9 107.901 -8.130 -10.184 1.00 0.00 C ATOM 135 O ASP A 9 107.595 -9.164 -10.746 1.00 0.00 O ATOM 136 CB ASP A 9 109.023 -6.439 -11.641 1.00 0.00 C ATOM 137 CG ASP A 9 109.246 -7.482 -12.738 1.00 0.00 C ATOM 138 OD1 ASP A 9 109.051 -8.654 -12.464 1.00 0.00 O ATOM 139 OD2 ASP A 9 109.610 -7.089 -13.835 1.00 0.00 O ATOM 0 H ASP A 9 108.353 -5.365 -9.394 1.00 0.00 H new ATOM 0 HA ASP A 9 106.909 -6.801 -11.566 1.00 0.00 H new ATOM 0 HB2 ASP A 9 108.943 -5.445 -12.081 1.00 0.00 H new ATOM 0 HB3 ASP A 9 109.877 -6.420 -10.963 1.00 0.00 H new ATOM 144 N ARG A 10 108.370 -8.129 -8.965 1.00 0.00 N ATOM 145 CA ARG A 10 108.537 -9.418 -8.237 1.00 0.00 C ATOM 146 C ARG A 10 108.321 -9.196 -6.737 1.00 0.00 C ATOM 147 O ARG A 10 108.197 -8.079 -6.276 1.00 0.00 O ATOM 148 CB ARG A 10 109.942 -9.976 -8.483 1.00 0.00 C ATOM 149 CG ARG A 10 110.454 -9.507 -9.848 1.00 0.00 C ATOM 150 CD ARG A 10 111.883 -10.011 -10.062 1.00 0.00 C ATOM 151 NE ARG A 10 112.134 -11.194 -9.189 1.00 0.00 N ATOM 152 CZ ARG A 10 113.338 -11.440 -8.747 1.00 0.00 C ATOM 153 NH1 ARG A 10 113.552 -12.474 -7.980 1.00 0.00 N ATOM 154 NH2 ARG A 10 114.327 -10.654 -9.074 1.00 0.00 N ATOM 0 H ARG A 10 108.643 -7.295 -8.445 1.00 0.00 H new ATOM 0 HA ARG A 10 107.801 -10.134 -8.603 1.00 0.00 H new ATOM 0 HB2 ARG A 10 110.619 -9.643 -7.696 1.00 0.00 H new ATOM 0 HB3 ARG A 10 109.922 -11.065 -8.446 1.00 0.00 H new ATOM 0 HG2 ARG A 10 109.804 -9.880 -10.639 1.00 0.00 H new ATOM 0 HG3 ARG A 10 110.430 -8.419 -9.902 1.00 0.00 H new ATOM 0 HD2 ARG A 10 112.031 -10.280 -11.108 1.00 0.00 H new ATOM 0 HD3 ARG A 10 112.596 -9.219 -9.833 1.00 0.00 H new ATOM 0 HE ARG A 10 111.363 -11.813 -8.937 1.00 0.00 H new ATOM 0 HH11 ARG A 10 112.779 -13.089 -7.726 1.00 0.00 H new ATOM 0 HH12 ARG A 10 114.492 -12.667 -7.634 1.00 0.00 H new ATOM 0 HH21 ARG A 10 114.160 -9.847 -9.675 1.00 0.00 H new ATOM 0 HH22 ARG A 10 115.267 -10.847 -8.728 1.00 0.00 H new ATOM 168 N SER A 11 108.270 -10.255 -5.971 1.00 0.00 N ATOM 169 CA SER A 11 108.056 -10.108 -4.501 1.00 0.00 C ATOM 170 C SER A 11 108.240 -11.468 -3.821 1.00 0.00 C ATOM 171 O SER A 11 108.490 -12.464 -4.470 1.00 0.00 O ATOM 172 CB SER A 11 106.638 -9.596 -4.240 1.00 0.00 C ATOM 173 OG SER A 11 106.345 -9.711 -2.854 1.00 0.00 O ATOM 0 H SER A 11 108.367 -11.215 -6.300 1.00 0.00 H new ATOM 0 HA SER A 11 108.778 -9.398 -4.098 1.00 0.00 H new ATOM 0 HB2 SER A 11 106.550 -8.557 -4.557 1.00 0.00 H new ATOM 0 HB3 SER A 11 105.919 -10.170 -4.824 1.00 0.00 H new ATOM 0 HG SER A 11 106.872 -9.055 -2.353 1.00 0.00 H new ATOM 179 N GLU A 12 108.121 -11.519 -2.520 1.00 0.00 N ATOM 180 CA GLU A 12 108.292 -12.820 -1.813 1.00 0.00 C ATOM 181 C GLU A 12 107.476 -12.817 -0.516 1.00 0.00 C ATOM 182 O GLU A 12 107.251 -11.784 0.087 1.00 0.00 O ATOM 183 CB GLU A 12 109.777 -13.037 -1.496 1.00 0.00 C ATOM 184 CG GLU A 12 110.095 -12.517 -0.090 1.00 0.00 C ATOM 185 CD GLU A 12 111.607 -12.328 0.057 1.00 0.00 C ATOM 186 OE1 GLU A 12 112.268 -12.188 -0.959 1.00 0.00 O ATOM 187 OE2 GLU A 12 112.076 -12.327 1.182 1.00 0.00 O ATOM 0 H GLU A 12 107.914 -10.720 -1.920 1.00 0.00 H new ATOM 0 HA GLU A 12 107.938 -13.629 -2.452 1.00 0.00 H new ATOM 0 HB2 GLU A 12 110.021 -14.097 -1.564 1.00 0.00 H new ATOM 0 HB3 GLU A 12 110.393 -12.520 -2.232 1.00 0.00 H new ATOM 0 HG2 GLU A 12 109.581 -11.571 0.084 1.00 0.00 H new ATOM 0 HG3 GLU A 12 109.731 -13.220 0.660 1.00 0.00 H new ATOM 194 N ASN A 13 107.039 -13.973 -0.087 1.00 0.00 N ATOM 195 CA ASN A 13 106.240 -14.065 1.170 1.00 0.00 C ATOM 196 C ASN A 13 104.980 -13.204 1.049 1.00 0.00 C ATOM 197 O ASN A 13 104.063 -13.527 0.321 1.00 0.00 O ATOM 198 CB ASN A 13 107.084 -13.579 2.352 1.00 0.00 C ATOM 199 CG ASN A 13 106.195 -13.427 3.587 1.00 0.00 C ATOM 200 OD1 ASN A 13 105.025 -13.755 3.553 1.00 0.00 O ATOM 201 ND2 ASN A 13 106.703 -12.937 4.685 1.00 0.00 N ATOM 0 H ASN A 13 107.203 -14.863 -0.558 1.00 0.00 H new ATOM 0 HA ASN A 13 105.950 -15.103 1.335 1.00 0.00 H new ATOM 0 HB2 ASN A 13 107.887 -14.287 2.554 1.00 0.00 H new ATOM 0 HB3 ASN A 13 107.553 -12.626 2.109 1.00 0.00 H new ATOM 0 HD21 ASN A 13 106.118 -12.830 5.514 1.00 0.00 H new ATOM 0 HD22 ASN A 13 107.685 -12.662 4.714 1.00 0.00 H new ATOM 208 N TYR A 14 104.930 -12.109 1.757 1.00 0.00 N ATOM 209 CA TYR A 14 103.735 -11.226 1.686 1.00 0.00 C ATOM 210 C TYR A 14 102.582 -11.843 2.473 1.00 0.00 C ATOM 211 O TYR A 14 102.012 -11.216 3.344 1.00 0.00 O ATOM 212 CB TYR A 14 103.326 -11.038 0.221 1.00 0.00 C ATOM 213 CG TYR A 14 102.856 -9.619 -0.004 1.00 0.00 C ATOM 214 CD1 TYR A 14 103.567 -8.549 0.551 1.00 0.00 C ATOM 215 CD2 TYR A 14 101.711 -9.376 -0.772 1.00 0.00 C ATOM 216 CE1 TYR A 14 103.132 -7.235 0.339 1.00 0.00 C ATOM 217 CE2 TYR A 14 101.276 -8.063 -0.984 1.00 0.00 C ATOM 218 CZ TYR A 14 101.986 -6.992 -0.429 1.00 0.00 C ATOM 219 OH TYR A 14 101.558 -5.697 -0.637 1.00 0.00 O ATOM 0 H TYR A 14 105.669 -11.788 2.383 1.00 0.00 H new ATOM 0 HA TYR A 14 103.978 -10.256 2.121 1.00 0.00 H new ATOM 0 HB2 TYR A 14 104.170 -11.259 -0.432 1.00 0.00 H new ATOM 0 HB3 TYR A 14 102.532 -11.739 -0.037 1.00 0.00 H new ATOM 0 HD1 TYR A 14 104.451 -8.737 1.143 1.00 0.00 H new ATOM 0 HD2 TYR A 14 101.163 -10.202 -1.201 1.00 0.00 H new ATOM 0 HE1 TYR A 14 103.680 -6.409 0.768 1.00 0.00 H new ATOM 0 HE2 TYR A 14 100.392 -7.876 -1.576 1.00 0.00 H new ATOM 0 HH TYR A 14 100.750 -5.705 -1.192 1.00 0.00 H new ATOM 229 N ASP A 15 102.228 -13.059 2.182 1.00 0.00 N ATOM 230 CA ASP A 15 101.108 -13.690 2.930 1.00 0.00 C ATOM 231 C ASP A 15 101.482 -13.781 4.405 1.00 0.00 C ATOM 232 O ASP A 15 100.705 -13.442 5.276 1.00 0.00 O ATOM 233 CB ASP A 15 100.835 -15.090 2.375 1.00 0.00 C ATOM 234 CG ASP A 15 100.044 -14.978 1.071 1.00 0.00 C ATOM 235 OD1 ASP A 15 98.830 -15.087 1.125 1.00 0.00 O ATOM 236 OD2 ASP A 15 100.666 -14.784 0.039 1.00 0.00 O ATOM 0 H ASP A 15 102.661 -13.641 1.465 1.00 0.00 H new ATOM 0 HA ASP A 15 100.208 -13.086 2.818 1.00 0.00 H new ATOM 0 HB2 ASP A 15 101.775 -15.612 2.198 1.00 0.00 H new ATOM 0 HB3 ASP A 15 100.276 -15.678 3.102 1.00 0.00 H new ATOM 241 N LYS A 16 102.671 -14.222 4.694 1.00 0.00 N ATOM 242 CA LYS A 16 103.091 -14.315 6.116 1.00 0.00 C ATOM 243 C LYS A 16 103.189 -12.902 6.685 1.00 0.00 C ATOM 244 O LYS A 16 102.959 -12.674 7.857 1.00 0.00 O ATOM 245 CB LYS A 16 104.455 -15.006 6.211 1.00 0.00 C ATOM 246 CG LYS A 16 104.393 -16.365 5.511 1.00 0.00 C ATOM 247 CD LYS A 16 103.862 -17.420 6.483 1.00 0.00 C ATOM 248 CE LYS A 16 105.015 -17.964 7.329 1.00 0.00 C ATOM 249 NZ LYS A 16 105.690 -19.072 6.594 1.00 0.00 N ATOM 0 H LYS A 16 103.367 -14.521 4.011 1.00 0.00 H new ATOM 0 HA LYS A 16 102.363 -14.897 6.682 1.00 0.00 H new ATOM 0 HB2 LYS A 16 105.222 -14.383 5.750 1.00 0.00 H new ATOM 0 HB3 LYS A 16 104.736 -15.137 7.256 1.00 0.00 H new ATOM 0 HG2 LYS A 16 103.747 -16.305 4.635 1.00 0.00 H new ATOM 0 HG3 LYS A 16 105.384 -16.648 5.157 1.00 0.00 H new ATOM 0 HD2 LYS A 16 103.099 -16.984 7.128 1.00 0.00 H new ATOM 0 HD3 LYS A 16 103.388 -18.232 5.931 1.00 0.00 H new ATOM 0 HE2 LYS A 16 105.728 -17.169 7.545 1.00 0.00 H new ATOM 0 HE3 LYS A 16 104.639 -18.324 8.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 106.474 -19.443 7.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 105.006 -19.833 6.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 106.061 -18.714 5.691 1.00 0.00 H new ATOM 263 N PHE A 17 103.520 -11.945 5.860 1.00 0.00 N ATOM 264 CA PHE A 17 103.622 -10.549 6.346 1.00 0.00 C ATOM 265 C PHE A 17 102.222 -10.009 6.617 1.00 0.00 C ATOM 266 O PHE A 17 101.905 -9.585 7.710 1.00 0.00 O ATOM 267 CB PHE A 17 104.303 -9.712 5.272 1.00 0.00 C ATOM 268 CG PHE A 17 104.009 -8.250 5.489 1.00 0.00 C ATOM 269 CD1 PHE A 17 104.817 -7.506 6.345 1.00 0.00 C ATOM 270 CD2 PHE A 17 102.937 -7.640 4.827 1.00 0.00 C ATOM 271 CE1 PHE A 17 104.560 -6.147 6.547 1.00 0.00 C ATOM 272 CE2 PHE A 17 102.675 -6.281 5.029 1.00 0.00 C ATOM 273 CZ PHE A 17 103.488 -5.533 5.889 1.00 0.00 C ATOM 0 H PHE A 17 103.724 -12.076 4.869 1.00 0.00 H new ATOM 0 HA PHE A 17 104.203 -10.508 7.267 1.00 0.00 H new ATOM 0 HB2 PHE A 17 105.379 -9.882 5.296 1.00 0.00 H new ATOM 0 HB3 PHE A 17 103.954 -10.018 4.286 1.00 0.00 H new ATOM 0 HD1 PHE A 17 105.644 -7.980 6.854 1.00 0.00 H new ATOM 0 HD2 PHE A 17 102.313 -8.218 4.161 1.00 0.00 H new ATOM 0 HE1 PHE A 17 105.188 -5.571 7.210 1.00 0.00 H new ATOM 0 HE2 PHE A 17 101.846 -5.809 4.522 1.00 0.00 H new ATOM 0 HZ PHE A 17 103.288 -4.483 6.045 1.00 0.00 H new ATOM 283 N MET A 18 101.381 -10.028 5.627 1.00 0.00 N ATOM 284 CA MET A 18 99.994 -9.521 5.824 1.00 0.00 C ATOM 285 C MET A 18 99.317 -10.330 6.932 1.00 0.00 C ATOM 286 O MET A 18 98.451 -9.840 7.630 1.00 0.00 O ATOM 287 CB MET A 18 99.199 -9.667 4.523 1.00 0.00 C ATOM 288 CG MET A 18 99.582 -8.551 3.543 1.00 0.00 C ATOM 289 SD MET A 18 100.686 -9.217 2.271 1.00 0.00 S ATOM 290 CE MET A 18 99.461 -10.237 1.414 1.00 0.00 C ATOM 0 H MET A 18 101.590 -10.372 4.690 1.00 0.00 H new ATOM 0 HA MET A 18 100.027 -8.468 6.105 1.00 0.00 H new ATOM 0 HB2 MET A 18 99.397 -10.640 4.074 1.00 0.00 H new ATOM 0 HB3 MET A 18 98.130 -9.625 4.734 1.00 0.00 H new ATOM 0 HG2 MET A 18 98.687 -8.135 3.081 1.00 0.00 H new ATOM 0 HG3 MET A 18 100.073 -7.737 4.076 1.00 0.00 H new ATOM 0 HE1 MET A 18 99.832 -11.259 1.332 1.00 0.00 H new ATOM 0 HE2 MET A 18 98.527 -10.234 1.977 1.00 0.00 H new ATOM 0 HE3 MET A 18 99.285 -9.833 0.417 1.00 0.00 H new ATOM 300 N GLU A 19 99.708 -11.563 7.107 1.00 0.00 N ATOM 301 CA GLU A 19 99.086 -12.390 8.174 1.00 0.00 C ATOM 302 C GLU A 19 99.660 -11.979 9.529 1.00 0.00 C ATOM 303 O GLU A 19 99.017 -12.109 10.553 1.00 0.00 O ATOM 304 CB GLU A 19 99.386 -13.869 7.918 1.00 0.00 C ATOM 305 CG GLU A 19 98.652 -14.727 8.951 1.00 0.00 C ATOM 306 CD GLU A 19 99.100 -16.183 8.817 1.00 0.00 C ATOM 307 OE1 GLU A 19 99.160 -16.662 7.697 1.00 0.00 O ATOM 308 OE2 GLU A 19 99.374 -16.795 9.837 1.00 0.00 O ATOM 0 H GLU A 19 100.429 -12.030 6.558 1.00 0.00 H new ATOM 0 HA GLU A 19 98.007 -12.236 8.172 1.00 0.00 H new ATOM 0 HB2 GLU A 19 99.072 -14.145 6.911 1.00 0.00 H new ATOM 0 HB3 GLU A 19 100.459 -14.049 7.978 1.00 0.00 H new ATOM 0 HG2 GLU A 19 98.861 -14.362 9.957 1.00 0.00 H new ATOM 0 HG3 GLU A 19 97.575 -14.652 8.802 1.00 0.00 H new ATOM 315 N LYS A 20 100.867 -11.482 9.546 1.00 0.00 N ATOM 316 CA LYS A 20 101.476 -11.063 10.837 1.00 0.00 C ATOM 317 C LYS A 20 100.790 -9.791 11.333 1.00 0.00 C ATOM 318 O LYS A 20 100.485 -9.654 12.501 1.00 0.00 O ATOM 319 CB LYS A 20 102.971 -10.798 10.638 1.00 0.00 C ATOM 320 CG LYS A 20 103.715 -11.055 11.951 1.00 0.00 C ATOM 321 CD LYS A 20 104.078 -12.538 12.052 1.00 0.00 C ATOM 322 CE LYS A 20 104.758 -12.808 13.395 1.00 0.00 C ATOM 323 NZ LYS A 20 104.542 -14.231 13.783 1.00 0.00 N ATOM 0 H LYS A 20 101.455 -11.349 8.723 1.00 0.00 H new ATOM 0 HA LYS A 20 101.347 -11.856 11.574 1.00 0.00 H new ATOM 0 HB2 LYS A 20 103.364 -11.444 9.853 1.00 0.00 H new ATOM 0 HB3 LYS A 20 103.129 -9.769 10.314 1.00 0.00 H new ATOM 0 HG2 LYS A 20 104.617 -10.445 11.995 1.00 0.00 H new ATOM 0 HG3 LYS A 20 103.092 -10.764 12.797 1.00 0.00 H new ATOM 0 HD2 LYS A 20 103.181 -13.150 11.957 1.00 0.00 H new ATOM 0 HD3 LYS A 20 104.742 -12.817 11.234 1.00 0.00 H new ATOM 0 HE2 LYS A 20 105.825 -12.597 13.324 1.00 0.00 H new ATOM 0 HE3 LYS A 20 104.353 -12.146 14.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 105.004 -14.416 14.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 103.522 -14.417 13.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 104.949 -14.854 13.057 1.00 0.00 H new ATOM 337 N MET A 21 100.539 -8.861 10.456 1.00 0.00 N ATOM 338 CA MET A 21 99.866 -7.603 10.883 1.00 0.00 C ATOM 339 C MET A 21 98.421 -7.917 11.270 1.00 0.00 C ATOM 340 O MET A 21 97.696 -7.067 11.748 1.00 0.00 O ATOM 341 CB MET A 21 99.886 -6.591 9.733 1.00 0.00 C ATOM 342 CG MET A 21 101.112 -6.838 8.849 1.00 0.00 C ATOM 343 SD MET A 21 101.668 -5.268 8.138 1.00 0.00 S ATOM 344 CE MET A 21 100.255 -4.996 7.041 1.00 0.00 C ATOM 0 H MET A 21 100.770 -8.917 9.464 1.00 0.00 H new ATOM 0 HA MET A 21 100.390 -7.178 11.739 1.00 0.00 H new ATOM 0 HB2 MET A 21 98.975 -6.681 9.141 1.00 0.00 H new ATOM 0 HB3 MET A 21 99.910 -5.576 10.129 1.00 0.00 H new ATOM 0 HG2 MET A 21 101.913 -7.288 9.436 1.00 0.00 H new ATOM 0 HG3 MET A 21 100.865 -7.542 8.055 1.00 0.00 H new ATOM 0 HE1 MET A 21 100.497 -4.213 6.323 1.00 0.00 H new ATOM 0 HE2 MET A 21 100.025 -5.919 6.508 1.00 0.00 H new ATOM 0 HE3 MET A 21 99.390 -4.692 7.630 1.00 0.00 H new ATOM 354 N GLY A 22 97.995 -9.137 11.070 1.00 0.00 N ATOM 355 CA GLY A 22 96.597 -9.506 11.429 1.00 0.00 C ATOM 356 C GLY A 22 95.645 -9.061 10.318 1.00 0.00 C ATOM 357 O GLY A 22 94.474 -8.834 10.546 1.00 0.00 O ATOM 0 H GLY A 22 98.555 -9.892 10.674 1.00 0.00 H new ATOM 0 HA2 GLY A 22 96.521 -10.583 11.576 1.00 0.00 H new ATOM 0 HA3 GLY A 22 96.317 -9.035 12.371 1.00 0.00 H new ATOM 361 N VAL A 23 96.137 -8.935 9.116 1.00 0.00 N ATOM 362 CA VAL A 23 95.255 -8.506 7.994 1.00 0.00 C ATOM 363 C VAL A 23 94.227 -9.602 7.706 1.00 0.00 C ATOM 364 O VAL A 23 94.571 -10.704 7.326 1.00 0.00 O ATOM 365 CB VAL A 23 96.102 -8.262 6.741 1.00 0.00 C ATOM 366 CG1 VAL A 23 95.195 -7.818 5.592 1.00 0.00 C ATOM 367 CG2 VAL A 23 97.140 -7.170 7.026 1.00 0.00 C ATOM 0 H VAL A 23 97.109 -9.110 8.863 1.00 0.00 H new ATOM 0 HA VAL A 23 94.740 -7.586 8.270 1.00 0.00 H new ATOM 0 HB VAL A 23 96.614 -9.184 6.465 1.00 0.00 H new ATOM 0 HG11 VAL A 23 95.797 -7.644 4.700 1.00 0.00 H new ATOM 0 HG12 VAL A 23 94.459 -8.596 5.388 1.00 0.00 H new ATOM 0 HG13 VAL A 23 94.682 -6.897 5.869 1.00 0.00 H new ATOM 0 HG21 VAL A 23 97.742 -6.998 6.133 1.00 0.00 H new ATOM 0 HG22 VAL A 23 96.631 -6.247 7.304 1.00 0.00 H new ATOM 0 HG23 VAL A 23 97.787 -7.487 7.844 1.00 0.00 H new ATOM 377 N ASN A 24 92.966 -9.311 7.884 1.00 0.00 N ATOM 378 CA ASN A 24 91.920 -10.338 7.619 1.00 0.00 C ATOM 379 C ASN A 24 92.269 -11.094 6.336 1.00 0.00 C ATOM 380 O ASN A 24 92.972 -10.593 5.481 1.00 0.00 O ATOM 381 CB ASN A 24 90.561 -9.654 7.456 1.00 0.00 C ATOM 382 CG ASN A 24 90.492 -8.431 8.374 1.00 0.00 C ATOM 383 OD1 ASN A 24 90.728 -8.533 9.560 1.00 0.00 O ATOM 384 ND2 ASN A 24 90.176 -7.269 7.868 1.00 0.00 N ATOM 0 H ASN A 24 92.616 -8.407 8.201 1.00 0.00 H new ATOM 0 HA ASN A 24 91.874 -11.037 8.454 1.00 0.00 H new ATOM 0 HB2 ASN A 24 90.416 -9.352 6.419 1.00 0.00 H new ATOM 0 HB3 ASN A 24 89.759 -10.351 7.700 1.00 0.00 H new ATOM 0 HD21 ASN A 24 90.128 -6.447 8.470 1.00 0.00 H new ATOM 0 HD22 ASN A 24 89.978 -7.184 6.871 1.00 0.00 H new ATOM 391 N ILE A 25 91.787 -12.299 6.191 1.00 0.00 N ATOM 392 CA ILE A 25 92.101 -13.078 4.962 1.00 0.00 C ATOM 393 C ILE A 25 91.429 -12.415 3.767 1.00 0.00 C ATOM 394 O ILE A 25 91.580 -12.823 2.631 1.00 0.00 O ATOM 395 CB ILE A 25 91.599 -14.516 5.124 1.00 0.00 C ATOM 396 CG1 ILE A 25 92.674 -15.357 5.824 1.00 0.00 C ATOM 397 CG2 ILE A 25 91.283 -15.117 3.753 1.00 0.00 C ATOM 398 CD1 ILE A 25 93.726 -15.811 4.807 1.00 0.00 C ATOM 0 H ILE A 25 91.192 -12.775 6.869 1.00 0.00 H new ATOM 0 HA ILE A 25 93.179 -13.100 4.801 1.00 0.00 H new ATOM 0 HB ILE A 25 90.691 -14.513 5.727 1.00 0.00 H new ATOM 0 HG12 ILE A 25 93.147 -14.774 6.614 1.00 0.00 H new ATOM 0 HG13 ILE A 25 92.217 -16.225 6.299 1.00 0.00 H new ATOM 0 HG21 ILE A 25 90.927 -16.140 3.877 1.00 0.00 H new ATOM 0 HG22 ILE A 25 90.513 -14.521 3.263 1.00 0.00 H new ATOM 0 HG23 ILE A 25 92.184 -15.119 3.140 1.00 0.00 H new ATOM 0 HD11 ILE A 25 94.486 -16.408 5.311 1.00 0.00 H new ATOM 0 HD12 ILE A 25 93.248 -16.411 4.033 1.00 0.00 H new ATOM 0 HD13 ILE A 25 94.193 -14.937 4.352 1.00 0.00 H new ATOM 410 N VAL A 26 90.701 -11.387 4.029 1.00 0.00 N ATOM 411 CA VAL A 26 90.004 -10.653 2.938 1.00 0.00 C ATOM 412 C VAL A 26 90.981 -9.678 2.290 1.00 0.00 C ATOM 413 O VAL A 26 91.271 -9.761 1.112 1.00 0.00 O ATOM 414 CB VAL A 26 88.815 -9.883 3.515 1.00 0.00 C ATOM 415 CG1 VAL A 26 87.831 -9.545 2.394 1.00 0.00 C ATOM 416 CG2 VAL A 26 88.112 -10.745 4.566 1.00 0.00 C ATOM 0 H VAL A 26 90.550 -11.010 4.965 1.00 0.00 H new ATOM 0 HA VAL A 26 89.643 -11.360 2.192 1.00 0.00 H new ATOM 0 HB VAL A 26 89.170 -8.961 3.976 1.00 0.00 H new ATOM 0 HG11 VAL A 26 86.984 -8.996 2.806 1.00 0.00 H new ATOM 0 HG12 VAL A 26 88.330 -8.931 1.644 1.00 0.00 H new ATOM 0 HG13 VAL A 26 87.476 -10.466 1.931 1.00 0.00 H new ATOM 0 HG21 VAL A 26 87.264 -10.197 4.978 1.00 0.00 H new ATOM 0 HG22 VAL A 26 87.758 -11.666 4.103 1.00 0.00 H new ATOM 0 HG23 VAL A 26 88.812 -10.986 5.366 1.00 0.00 H new ATOM 426 N LYS A 27 91.501 -8.761 3.053 1.00 0.00 N ATOM 427 CA LYS A 27 92.473 -7.790 2.484 1.00 0.00 C ATOM 428 C LYS A 27 93.670 -8.567 1.938 1.00 0.00 C ATOM 429 O LYS A 27 94.302 -8.164 0.980 1.00 0.00 O ATOM 430 CB LYS A 27 92.936 -6.825 3.581 1.00 0.00 C ATOM 431 CG LYS A 27 92.081 -5.557 3.546 1.00 0.00 C ATOM 432 CD LYS A 27 90.626 -5.913 3.858 1.00 0.00 C ATOM 433 CE LYS A 27 89.831 -4.631 4.116 1.00 0.00 C ATOM 434 NZ LYS A 27 90.128 -4.130 5.488 1.00 0.00 N ATOM 0 H LYS A 27 91.296 -8.642 4.045 1.00 0.00 H new ATOM 0 HA LYS A 27 92.007 -7.216 1.684 1.00 0.00 H new ATOM 0 HB2 LYS A 27 92.855 -7.303 4.557 1.00 0.00 H new ATOM 0 HB3 LYS A 27 93.986 -6.571 3.436 1.00 0.00 H new ATOM 0 HG2 LYS A 27 92.453 -4.835 4.272 1.00 0.00 H new ATOM 0 HG3 LYS A 27 92.149 -5.087 2.565 1.00 0.00 H new ATOM 0 HD2 LYS A 27 90.189 -6.463 3.025 1.00 0.00 H new ATOM 0 HD3 LYS A 27 90.579 -6.565 4.731 1.00 0.00 H new ATOM 0 HE2 LYS A 27 90.091 -3.874 3.376 1.00 0.00 H new ATOM 0 HE3 LYS A 27 88.764 -4.825 4.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 89.268 -3.716 5.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 90.452 -4.919 6.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 90.872 -3.405 5.439 1.00 0.00 H new ATOM 448 N ARG A 28 93.977 -9.684 2.536 1.00 0.00 N ATOM 449 CA ARG A 28 95.124 -10.500 2.053 1.00 0.00 C ATOM 450 C ARG A 28 94.791 -11.063 0.671 1.00 0.00 C ATOM 451 O ARG A 28 95.563 -10.946 -0.260 1.00 0.00 O ATOM 452 CB ARG A 28 95.378 -11.654 3.026 1.00 0.00 C ATOM 453 CG ARG A 28 96.447 -12.585 2.446 1.00 0.00 C ATOM 454 CD ARG A 28 96.825 -13.650 3.483 1.00 0.00 C ATOM 455 NE ARG A 28 96.491 -15.001 2.949 1.00 0.00 N ATOM 456 CZ ARG A 28 97.128 -16.052 3.390 1.00 0.00 C ATOM 457 NH1 ARG A 28 96.836 -17.234 2.920 1.00 0.00 N ATOM 458 NH2 ARG A 28 98.054 -15.921 4.299 1.00 0.00 N ATOM 0 H ARG A 28 93.481 -10.068 3.341 1.00 0.00 H new ATOM 0 HA ARG A 28 96.017 -9.877 1.992 1.00 0.00 H new ATOM 0 HB2 ARG A 28 95.704 -11.265 3.991 1.00 0.00 H new ATOM 0 HB3 ARG A 28 94.455 -12.207 3.200 1.00 0.00 H new ATOM 0 HG2 ARG A 28 96.074 -13.062 1.540 1.00 0.00 H new ATOM 0 HG3 ARG A 28 97.329 -12.010 2.163 1.00 0.00 H new ATOM 0 HD2 ARG A 28 97.889 -13.590 3.711 1.00 0.00 H new ATOM 0 HD3 ARG A 28 96.289 -13.472 4.415 1.00 0.00 H new ATOM 0 HE ARG A 28 95.765 -15.104 2.240 1.00 0.00 H new ATOM 0 HH11 ARG A 28 96.111 -17.336 2.209 1.00 0.00 H new ATOM 0 HH12 ARG A 28 97.333 -18.056 3.263 1.00 0.00 H new ATOM 0 HH21 ARG A 28 98.281 -14.997 4.666 1.00 0.00 H new ATOM 0 HH22 ARG A 28 98.551 -16.743 4.643 1.00 0.00 H new ATOM 472 N LYS A 29 93.645 -11.672 0.527 1.00 0.00 N ATOM 473 CA LYS A 29 93.267 -12.238 -0.798 1.00 0.00 C ATOM 474 C LYS A 29 93.321 -11.132 -1.854 1.00 0.00 C ATOM 475 O LYS A 29 93.660 -11.367 -2.997 1.00 0.00 O ATOM 476 CB LYS A 29 91.847 -12.805 -0.727 1.00 0.00 C ATOM 477 CG LYS A 29 91.893 -14.242 -0.202 1.00 0.00 C ATOM 478 CD LYS A 29 90.503 -14.872 -0.318 1.00 0.00 C ATOM 479 CE LYS A 29 90.484 -16.210 0.422 1.00 0.00 C ATOM 480 NZ LYS A 29 91.563 -17.089 -0.112 1.00 0.00 N ATOM 0 H LYS A 29 92.956 -11.801 1.268 1.00 0.00 H new ATOM 0 HA LYS A 29 93.962 -13.034 -1.065 1.00 0.00 H new ATOM 0 HB2 LYS A 29 91.231 -12.188 -0.073 1.00 0.00 H new ATOM 0 HB3 LYS A 29 91.386 -12.783 -1.714 1.00 0.00 H new ATOM 0 HG2 LYS A 29 92.617 -14.825 -0.771 1.00 0.00 H new ATOM 0 HG3 LYS A 29 92.222 -14.251 0.837 1.00 0.00 H new ATOM 0 HD2 LYS A 29 89.753 -14.202 0.102 1.00 0.00 H new ATOM 0 HD3 LYS A 29 90.246 -15.021 -1.367 1.00 0.00 H new ATOM 0 HE2 LYS A 29 90.627 -16.049 1.490 1.00 0.00 H new ATOM 0 HE3 LYS A 29 89.514 -16.692 0.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 91.371 -18.076 0.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 91.594 -17.010 -1.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 92.478 -16.795 0.285 1.00 0.00 H new ATOM 494 N LEU A 30 92.988 -9.928 -1.480 1.00 0.00 N ATOM 495 CA LEU A 30 93.016 -8.808 -2.461 1.00 0.00 C ATOM 496 C LEU A 30 94.411 -8.207 -2.515 1.00 0.00 C ATOM 497 O LEU A 30 94.749 -7.445 -3.398 1.00 0.00 O ATOM 498 CB LEU A 30 92.001 -7.735 -2.060 1.00 0.00 C ATOM 499 CG LEU A 30 90.587 -8.318 -2.124 1.00 0.00 C ATOM 500 CD1 LEU A 30 89.676 -7.560 -1.156 1.00 0.00 C ATOM 501 CD2 LEU A 30 90.043 -8.180 -3.548 1.00 0.00 C ATOM 0 H LEU A 30 92.697 -9.671 -0.537 1.00 0.00 H new ATOM 0 HA LEU A 30 92.753 -9.192 -3.447 1.00 0.00 H new ATOM 0 HB2 LEU A 30 92.213 -7.378 -1.052 1.00 0.00 H new ATOM 0 HB3 LEU A 30 92.082 -6.876 -2.726 1.00 0.00 H new ATOM 0 HG LEU A 30 90.617 -9.371 -1.845 1.00 0.00 H new ATOM 0 HD11 LEU A 30 88.670 -7.976 -1.202 1.00 0.00 H new ATOM 0 HD12 LEU A 30 90.062 -7.657 -0.141 1.00 0.00 H new ATOM 0 HD13 LEU A 30 89.646 -6.506 -1.434 1.00 0.00 H new ATOM 0 HD21 LEU A 30 89.036 -8.595 -3.595 1.00 0.00 H new ATOM 0 HD22 LEU A 30 90.015 -7.126 -3.826 1.00 0.00 H new ATOM 0 HD23 LEU A 30 90.690 -8.720 -4.239 1.00 0.00 H new ATOM 513 N ALA A 31 95.213 -8.553 -1.570 1.00 0.00 N ATOM 514 CA ALA A 31 96.603 -8.023 -1.524 1.00 0.00 C ATOM 515 C ALA A 31 97.509 -8.881 -2.409 1.00 0.00 C ATOM 516 O ALA A 31 98.394 -8.383 -3.075 1.00 0.00 O ATOM 517 CB ALA A 31 97.120 -8.057 -0.085 1.00 0.00 C ATOM 0 H ALA A 31 94.971 -9.190 -0.811 1.00 0.00 H new ATOM 0 HA ALA A 31 96.607 -6.995 -1.887 1.00 0.00 H new ATOM 0 HB1 ALA A 31 98.138 -7.668 -0.055 1.00 0.00 H new ATOM 0 HB2 ALA A 31 96.478 -7.443 0.547 1.00 0.00 H new ATOM 0 HB3 ALA A 31 97.113 -9.084 0.280 1.00 0.00 H new ATOM 523 N ALA A 32 97.296 -10.169 -2.420 1.00 0.00 N ATOM 524 CA ALA A 32 98.148 -11.055 -3.261 1.00 0.00 C ATOM 525 C ALA A 32 98.322 -10.425 -4.644 1.00 0.00 C ATOM 526 O ALA A 32 99.184 -10.811 -5.409 1.00 0.00 O ATOM 527 CB ALA A 32 97.479 -12.424 -3.403 1.00 0.00 C ATOM 0 H ALA A 32 96.570 -10.644 -1.884 1.00 0.00 H new ATOM 0 HA ALA A 32 99.123 -11.177 -2.790 1.00 0.00 H new ATOM 0 HB1 ALA A 32 98.103 -13.072 -4.019 1.00 0.00 H new ATOM 0 HB2 ALA A 32 97.353 -12.871 -2.417 1.00 0.00 H new ATOM 0 HB3 ALA A 32 96.504 -12.305 -3.875 1.00 0.00 H new ATOM 533 N HIS A 33 97.513 -9.454 -4.969 1.00 0.00 N ATOM 534 CA HIS A 33 97.633 -8.794 -6.298 1.00 0.00 C ATOM 535 C HIS A 33 98.915 -7.960 -6.331 1.00 0.00 C ATOM 536 O HIS A 33 98.913 -6.820 -6.747 1.00 0.00 O ATOM 537 CB HIS A 33 96.425 -7.884 -6.529 1.00 0.00 C ATOM 538 CG HIS A 33 95.283 -8.695 -7.078 1.00 0.00 C ATOM 539 ND1 HIS A 33 95.198 -9.039 -8.420 1.00 0.00 N ATOM 540 CD2 HIS A 33 94.171 -9.236 -6.480 1.00 0.00 C ATOM 541 CE1 HIS A 33 94.071 -9.757 -8.584 1.00 0.00 C ATOM 542 NE2 HIS A 33 93.412 -9.904 -7.434 1.00 0.00 N ATOM 0 H HIS A 33 96.773 -9.089 -4.369 1.00 0.00 H new ATOM 0 HA HIS A 33 97.668 -9.551 -7.081 1.00 0.00 H new ATOM 0 HB2 HIS A 33 96.130 -7.408 -5.593 1.00 0.00 H new ATOM 0 HB3 HIS A 33 96.685 -7.086 -7.224 1.00 0.00 H new ATOM 0 HD2 HIS A 33 93.925 -9.155 -5.432 1.00 0.00 H new ATOM 0 HE1 HIS A 33 93.742 -10.163 -9.529 1.00 0.00 H new ATOM 0 HE2 HIS A 33 92.535 -10.402 -7.285 1.00 0.00 H new ATOM 550 N ASP A 34 100.009 -8.523 -5.888 1.00 0.00 N ATOM 551 CA ASP A 34 101.296 -7.771 -5.882 1.00 0.00 C ATOM 552 C ASP A 34 101.593 -7.235 -7.287 1.00 0.00 C ATOM 553 O ASP A 34 102.475 -7.714 -7.971 1.00 0.00 O ATOM 554 CB ASP A 34 102.424 -8.709 -5.445 1.00 0.00 C ATOM 555 CG ASP A 34 102.540 -8.693 -3.919 1.00 0.00 C ATOM 556 OD1 ASP A 34 103.141 -7.768 -3.400 1.00 0.00 O ATOM 557 OD2 ASP A 34 102.025 -9.608 -3.297 1.00 0.00 O ATOM 0 H ASP A 34 100.065 -9.476 -5.529 1.00 0.00 H new ATOM 0 HA ASP A 34 101.223 -6.933 -5.189 1.00 0.00 H new ATOM 0 HB2 ASP A 34 102.225 -9.722 -5.794 1.00 0.00 H new ATOM 0 HB3 ASP A 34 103.366 -8.396 -5.895 1.00 0.00 H new ATOM 562 N ASN A 35 100.864 -6.243 -7.719 1.00 0.00 N ATOM 563 CA ASN A 35 101.101 -5.671 -9.072 1.00 0.00 C ATOM 564 C ASN A 35 100.768 -4.175 -9.050 1.00 0.00 C ATOM 565 O ASN A 35 100.143 -3.659 -9.955 1.00 0.00 O ATOM 566 CB ASN A 35 100.207 -6.379 -10.091 1.00 0.00 C ATOM 567 CG ASN A 35 100.757 -6.154 -11.500 1.00 0.00 C ATOM 568 OD1 ASN A 35 101.770 -5.348 -11.670 1.00 0.00 O flip ATOM 569 ND2 ASN A 35 100.262 -6.717 -12.456 1.00 0.00 N flip ATOM 0 H ASN A 35 100.111 -5.803 -7.190 1.00 0.00 H new ATOM 0 HA ASN A 35 102.145 -5.811 -9.352 1.00 0.00 H new ATOM 0 HB2 ASN A 35 100.164 -7.446 -9.873 1.00 0.00 H new ATOM 0 HB3 ASN A 35 99.188 -5.998 -10.022 1.00 0.00 H new ATOM 0 HD21 ASN A 35 99.471 -7.347 -12.323 1.00 0.00 H new ATOM 0 HD22 ASN A 35 100.638 -6.560 -13.391 1.00 0.00 H new ATOM 576 N LEU A 36 101.164 -3.478 -8.018 1.00 0.00 N ATOM 577 CA LEU A 36 100.848 -2.024 -7.938 1.00 0.00 C ATOM 578 C LEU A 36 101.893 -1.207 -8.710 1.00 0.00 C ATOM 579 O LEU A 36 102.999 -1.657 -8.959 1.00 0.00 O ATOM 580 CB LEU A 36 100.798 -1.592 -6.463 1.00 0.00 C ATOM 581 CG LEU A 36 102.147 -1.007 -6.015 1.00 0.00 C ATOM 582 CD1 LEU A 36 102.066 0.521 -5.999 1.00 0.00 C ATOM 583 CD2 LEU A 36 102.476 -1.506 -4.605 1.00 0.00 C ATOM 0 H LEU A 36 101.691 -3.853 -7.229 1.00 0.00 H new ATOM 0 HA LEU A 36 99.875 -1.840 -8.393 1.00 0.00 H new ATOM 0 HB2 LEU A 36 100.012 -0.850 -6.324 1.00 0.00 H new ATOM 0 HB3 LEU A 36 100.543 -2.448 -5.838 1.00 0.00 H new ATOM 0 HG LEU A 36 102.924 -1.324 -6.710 1.00 0.00 H new ATOM 0 HD11 LEU A 36 103.024 0.933 -5.681 1.00 0.00 H new ATOM 0 HD12 LEU A 36 101.829 0.883 -6.999 1.00 0.00 H new ATOM 0 HD13 LEU A 36 101.287 0.837 -5.305 1.00 0.00 H new ATOM 0 HD21 LEU A 36 103.433 -1.092 -4.286 1.00 0.00 H new ATOM 0 HD22 LEU A 36 101.695 -1.188 -3.915 1.00 0.00 H new ATOM 0 HD23 LEU A 36 102.535 -2.594 -4.609 1.00 0.00 H new ATOM 595 N LYS A 37 101.539 -0.007 -9.084 1.00 0.00 N ATOM 596 CA LYS A 37 102.480 0.865 -9.842 1.00 0.00 C ATOM 597 C LYS A 37 102.746 2.138 -9.041 1.00 0.00 C ATOM 598 O LYS A 37 101.877 2.640 -8.360 1.00 0.00 O ATOM 599 CB LYS A 37 101.837 1.247 -11.175 1.00 0.00 C ATOM 600 CG LYS A 37 102.907 1.744 -12.152 1.00 0.00 C ATOM 601 CD LYS A 37 102.553 1.306 -13.577 1.00 0.00 C ATOM 602 CE LYS A 37 101.284 2.028 -14.037 1.00 0.00 C ATOM 603 NZ LYS A 37 100.651 1.259 -15.145 1.00 0.00 N ATOM 0 H LYS A 37 100.628 0.410 -8.894 1.00 0.00 H new ATOM 0 HA LYS A 37 103.416 0.334 -10.014 1.00 0.00 H new ATOM 0 HB2 LYS A 37 101.319 0.386 -11.598 1.00 0.00 H new ATOM 0 HB3 LYS A 37 101.088 2.024 -11.017 1.00 0.00 H new ATOM 0 HG2 LYS A 37 102.980 2.830 -12.103 1.00 0.00 H new ATOM 0 HG3 LYS A 37 103.882 1.346 -11.871 1.00 0.00 H new ATOM 0 HD2 LYS A 37 103.377 1.533 -14.253 1.00 0.00 H new ATOM 0 HD3 LYS A 37 102.401 0.227 -13.609 1.00 0.00 H new ATOM 0 HE2 LYS A 37 100.587 2.128 -13.205 1.00 0.00 H new ATOM 0 HE3 LYS A 37 101.527 3.036 -14.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 99.789 1.748 -15.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 101.316 1.186 -15.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 100.406 0.306 -14.810 1.00 0.00 H new ATOM 617 N LEU A 38 103.931 2.673 -9.117 1.00 0.00 N ATOM 618 CA LEU A 38 104.222 3.913 -8.355 1.00 0.00 C ATOM 619 C LEU A 38 105.352 4.697 -9.026 1.00 0.00 C ATOM 620 O LEU A 38 106.303 4.134 -9.532 1.00 0.00 O ATOM 621 CB LEU A 38 104.626 3.546 -6.926 1.00 0.00 C ATOM 622 CG LEU A 38 105.904 2.702 -6.943 1.00 0.00 C ATOM 623 CD1 LEU A 38 106.384 2.473 -5.508 1.00 0.00 C ATOM 624 CD2 LEU A 38 105.620 1.351 -7.610 1.00 0.00 C ATOM 0 H LEU A 38 104.705 2.307 -9.671 1.00 0.00 H new ATOM 0 HA LEU A 38 103.328 4.537 -8.335 1.00 0.00 H new ATOM 0 HB2 LEU A 38 104.786 4.451 -6.341 1.00 0.00 H new ATOM 0 HB3 LEU A 38 103.821 2.992 -6.443 1.00 0.00 H new ATOM 0 HG LEU A 38 106.676 3.227 -7.505 1.00 0.00 H new ATOM 0 HD11 LEU A 38 107.293 1.872 -5.520 1.00 0.00 H new ATOM 0 HD12 LEU A 38 106.590 3.433 -5.035 1.00 0.00 H new ATOM 0 HD13 LEU A 38 105.611 1.950 -4.945 1.00 0.00 H new ATOM 0 HD21 LEU A 38 106.531 0.752 -7.621 1.00 0.00 H new ATOM 0 HD22 LEU A 38 104.846 0.825 -7.051 1.00 0.00 H new ATOM 0 HD23 LEU A 38 105.281 1.514 -8.633 1.00 0.00 H new ATOM 636 N THR A 39 105.253 5.998 -9.020 1.00 0.00 N ATOM 637 CA THR A 39 106.316 6.841 -9.636 1.00 0.00 C ATOM 638 C THR A 39 107.093 7.531 -8.518 1.00 0.00 C ATOM 639 O THR A 39 106.521 8.193 -7.675 1.00 0.00 O ATOM 640 CB THR A 39 105.675 7.894 -10.542 1.00 0.00 C ATOM 641 OG1 THR A 39 104.660 7.286 -11.329 1.00 0.00 O ATOM 642 CG2 THR A 39 106.740 8.500 -11.457 1.00 0.00 C ATOM 0 H THR A 39 104.475 6.517 -8.612 1.00 0.00 H new ATOM 0 HA THR A 39 106.987 6.222 -10.232 1.00 0.00 H new ATOM 0 HB THR A 39 105.236 8.682 -9.929 1.00 0.00 H new ATOM 0 HG1 THR A 39 104.248 7.960 -11.909 1.00 0.00 H new ATOM 0 HG21 THR A 39 106.282 9.250 -12.102 1.00 0.00 H new ATOM 0 HG22 THR A 39 107.517 8.968 -10.852 1.00 0.00 H new ATOM 0 HG23 THR A 39 107.182 7.715 -12.071 1.00 0.00 H new ATOM 650 N ILE A 40 108.386 7.371 -8.485 1.00 0.00 N ATOM 651 CA ILE A 40 109.181 8.008 -7.396 1.00 0.00 C ATOM 652 C ILE A 40 110.034 9.151 -7.944 1.00 0.00 C ATOM 653 O ILE A 40 110.828 8.974 -8.848 1.00 0.00 O ATOM 654 CB ILE A 40 110.094 6.963 -6.758 1.00 0.00 C ATOM 655 CG1 ILE A 40 109.242 5.805 -6.234 1.00 0.00 C ATOM 656 CG2 ILE A 40 110.859 7.597 -5.595 1.00 0.00 C ATOM 657 CD1 ILE A 40 108.769 4.936 -7.401 1.00 0.00 C ATOM 0 H ILE A 40 108.926 6.830 -9.161 1.00 0.00 H new ATOM 0 HA ILE A 40 108.492 8.410 -6.653 1.00 0.00 H new ATOM 0 HB ILE A 40 110.802 6.593 -7.499 1.00 0.00 H new ATOM 0 HG12 ILE A 40 109.821 5.204 -5.533 1.00 0.00 H new ATOM 0 HG13 ILE A 40 108.383 6.193 -5.687 1.00 0.00 H new ATOM 0 HG21 ILE A 40 111.511 6.852 -5.139 1.00 0.00 H new ATOM 0 HG22 ILE A 40 111.460 8.428 -5.965 1.00 0.00 H new ATOM 0 HG23 ILE A 40 110.152 7.964 -4.851 1.00 0.00 H new ATOM 0 HD11 ILE A 40 108.163 4.114 -7.020 1.00 0.00 H new ATOM 0 HD12 ILE A 40 108.173 5.539 -8.086 1.00 0.00 H new ATOM 0 HD13 ILE A 40 109.634 4.535 -7.930 1.00 0.00 H new ATOM 669 N THR A 41 109.887 10.318 -7.378 1.00 0.00 N ATOM 670 CA THR A 41 110.693 11.482 -7.821 1.00 0.00 C ATOM 671 C THR A 41 111.567 11.923 -6.646 1.00 0.00 C ATOM 672 O THR A 41 111.215 11.726 -5.501 1.00 0.00 O ATOM 673 CB THR A 41 109.766 12.628 -8.233 1.00 0.00 C ATOM 674 OG1 THR A 41 108.563 12.092 -8.768 1.00 0.00 O ATOM 675 CG2 THR A 41 110.456 13.493 -9.289 1.00 0.00 C ATOM 0 H THR A 41 109.234 10.513 -6.619 1.00 0.00 H new ATOM 0 HA THR A 41 111.312 11.211 -8.676 1.00 0.00 H new ATOM 0 HB THR A 41 109.536 13.240 -7.361 1.00 0.00 H new ATOM 0 HG1 THR A 41 107.967 12.824 -9.031 1.00 0.00 H new ATOM 0 HG21 THR A 41 109.794 14.308 -9.581 1.00 0.00 H new ATOM 0 HG22 THR A 41 111.378 13.904 -8.877 1.00 0.00 H new ATOM 0 HG23 THR A 41 110.689 12.884 -10.163 1.00 0.00 H new ATOM 683 N GLN A 42 112.704 12.502 -6.908 1.00 0.00 N ATOM 684 CA GLN A 42 113.584 12.931 -5.783 1.00 0.00 C ATOM 685 C GLN A 42 114.141 14.329 -6.056 1.00 0.00 C ATOM 686 O GLN A 42 114.364 14.709 -7.187 1.00 0.00 O ATOM 687 CB GLN A 42 114.742 11.941 -5.642 1.00 0.00 C ATOM 688 CG GLN A 42 115.550 12.275 -4.386 1.00 0.00 C ATOM 689 CD GLN A 42 116.277 11.020 -3.897 1.00 0.00 C ATOM 690 OE1 GLN A 42 117.484 10.927 -3.992 1.00 0.00 O ATOM 691 NE2 GLN A 42 115.585 10.044 -3.374 1.00 0.00 N ATOM 0 H GLN A 42 113.061 12.696 -7.843 1.00 0.00 H new ATOM 0 HA GLN A 42 113.002 12.954 -4.862 1.00 0.00 H new ATOM 0 HB2 GLN A 42 114.358 10.923 -5.580 1.00 0.00 H new ATOM 0 HB3 GLN A 42 115.383 11.987 -6.522 1.00 0.00 H new ATOM 0 HG2 GLN A 42 116.270 13.064 -4.603 1.00 0.00 H new ATOM 0 HG3 GLN A 42 114.889 12.653 -3.606 1.00 0.00 H new ATOM 0 HE21 GLN A 42 114.571 10.123 -3.295 1.00 0.00 H new ATOM 0 HE22 GLN A 42 116.058 9.203 -3.045 1.00 0.00 H new ATOM 700 N GLU A 43 114.377 15.095 -5.023 1.00 0.00 N ATOM 701 CA GLU A 43 114.928 16.464 -5.222 1.00 0.00 C ATOM 702 C GLU A 43 115.811 16.834 -4.028 1.00 0.00 C ATOM 703 O GLU A 43 115.405 17.561 -3.144 1.00 0.00 O ATOM 704 CB GLU A 43 113.780 17.469 -5.341 1.00 0.00 C ATOM 705 CG GLU A 43 113.266 17.489 -6.781 1.00 0.00 C ATOM 706 CD GLU A 43 112.201 18.578 -6.928 1.00 0.00 C ATOM 707 OE1 GLU A 43 111.455 18.523 -7.891 1.00 0.00 O ATOM 708 OE2 GLU A 43 112.149 19.447 -6.074 1.00 0.00 O ATOM 0 H GLU A 43 114.212 14.830 -4.052 1.00 0.00 H new ATOM 0 HA GLU A 43 115.522 16.487 -6.136 1.00 0.00 H new ATOM 0 HB2 GLU A 43 112.974 17.198 -4.660 1.00 0.00 H new ATOM 0 HB3 GLU A 43 114.121 18.463 -5.052 1.00 0.00 H new ATOM 0 HG2 GLU A 43 114.090 17.676 -7.470 1.00 0.00 H new ATOM 0 HG3 GLU A 43 112.846 16.517 -7.042 1.00 0.00 H new ATOM 715 N GLY A 44 117.020 16.343 -4.000 1.00 0.00 N ATOM 716 CA GLY A 44 117.936 16.668 -2.871 1.00 0.00 C ATOM 717 C GLY A 44 117.380 16.104 -1.560 1.00 0.00 C ATOM 718 O GLY A 44 117.679 14.991 -1.176 1.00 0.00 O ATOM 0 H GLY A 44 117.414 15.729 -4.713 1.00 0.00 H new ATOM 0 HA2 GLY A 44 118.925 16.252 -3.064 1.00 0.00 H new ATOM 0 HA3 GLY A 44 118.055 17.748 -2.789 1.00 0.00 H new ATOM 722 N ASN A 45 116.585 16.872 -0.864 1.00 0.00 N ATOM 723 CA ASN A 45 116.019 16.396 0.433 1.00 0.00 C ATOM 724 C ASN A 45 114.491 16.466 0.386 1.00 0.00 C ATOM 725 O ASN A 45 113.835 16.623 1.396 1.00 0.00 O ATOM 726 CB ASN A 45 116.546 17.269 1.578 1.00 0.00 C ATOM 727 CG ASN A 45 117.234 18.509 1.004 1.00 0.00 C ATOM 728 OD1 ASN A 45 118.334 18.370 0.316 1.00 0.00 O flip ATOM 729 ND2 ASN A 45 116.766 19.616 1.183 1.00 0.00 N flip ATOM 0 H ASN A 45 116.302 17.813 -1.139 1.00 0.00 H new ATOM 0 HA ASN A 45 116.324 15.363 0.602 1.00 0.00 H new ATOM 0 HB2 ASN A 45 115.725 17.566 2.230 1.00 0.00 H new ATOM 0 HB3 ASN A 45 117.248 16.701 2.188 1.00 0.00 H new ATOM 0 HD21 ASN A 45 115.906 19.725 1.721 1.00 0.00 H new ATOM 0 HD22 ASN A 45 117.233 20.436 0.796 1.00 0.00 H new ATOM 736 N LYS A 46 113.921 16.341 -0.775 1.00 0.00 N ATOM 737 CA LYS A 46 112.458 16.385 -0.900 1.00 0.00 C ATOM 738 C LYS A 46 112.069 15.410 -2.000 1.00 0.00 C ATOM 739 O LYS A 46 112.344 15.618 -3.164 1.00 0.00 O ATOM 740 CB LYS A 46 112.024 17.802 -1.279 1.00 0.00 C ATOM 741 CG LYS A 46 110.555 17.795 -1.707 1.00 0.00 C ATOM 742 CD LYS A 46 110.450 18.086 -3.207 1.00 0.00 C ATOM 743 CE LYS A 46 108.979 18.245 -3.595 1.00 0.00 C ATOM 744 NZ LYS A 46 108.879 19.059 -4.840 1.00 0.00 N ATOM 0 H LYS A 46 114.423 16.208 -1.653 1.00 0.00 H new ATOM 0 HA LYS A 46 111.975 16.115 0.039 1.00 0.00 H new ATOM 0 HB2 LYS A 46 112.163 18.474 -0.432 1.00 0.00 H new ATOM 0 HB3 LYS A 46 112.647 18.179 -2.090 1.00 0.00 H new ATOM 0 HG2 LYS A 46 110.106 16.827 -1.483 1.00 0.00 H new ATOM 0 HG3 LYS A 46 109.999 18.543 -1.142 1.00 0.00 H new ATOM 0 HD2 LYS A 46 111.002 18.994 -3.451 1.00 0.00 H new ATOM 0 HD3 LYS A 46 110.902 17.275 -3.778 1.00 0.00 H new ATOM 0 HE2 LYS A 46 108.525 17.266 -3.750 1.00 0.00 H new ATOM 0 HE3 LYS A 46 108.429 18.727 -2.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 107.879 19.168 -5.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 109.298 19.997 -4.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 109.391 18.581 -5.609 1.00 0.00 H new ATOM 758 N PHE A 47 111.445 14.343 -1.630 1.00 0.00 N ATOM 759 CA PHE A 47 111.039 13.323 -2.633 1.00 0.00 C ATOM 760 C PHE A 47 109.522 13.305 -2.761 1.00 0.00 C ATOM 761 O PHE A 47 108.817 13.959 -2.020 1.00 0.00 O ATOM 762 CB PHE A 47 111.531 11.942 -2.191 1.00 0.00 C ATOM 763 CG PHE A 47 111.540 11.870 -0.684 1.00 0.00 C ATOM 764 CD1 PHE A 47 112.702 12.198 0.024 1.00 0.00 C ATOM 765 CD2 PHE A 47 110.388 11.476 0.005 1.00 0.00 C ATOM 766 CE1 PHE A 47 112.712 12.131 1.421 1.00 0.00 C ATOM 767 CE2 PHE A 47 110.397 11.409 1.403 1.00 0.00 C ATOM 768 CZ PHE A 47 111.560 11.737 2.112 1.00 0.00 C ATOM 0 H PHE A 47 111.193 14.124 -0.666 1.00 0.00 H new ATOM 0 HA PHE A 47 111.480 13.573 -3.598 1.00 0.00 H new ATOM 0 HB2 PHE A 47 110.884 11.166 -2.599 1.00 0.00 H new ATOM 0 HB3 PHE A 47 112.532 11.759 -2.580 1.00 0.00 H new ATOM 0 HD1 PHE A 47 113.591 12.503 -0.508 1.00 0.00 H new ATOM 0 HD2 PHE A 47 109.492 11.223 -0.542 1.00 0.00 H new ATOM 0 HE1 PHE A 47 113.609 12.383 1.967 1.00 0.00 H new ATOM 0 HE2 PHE A 47 109.508 11.105 1.935 1.00 0.00 H new ATOM 0 HZ PHE A 47 111.568 11.686 3.191 1.00 0.00 H new ATOM 778 N THR A 48 109.014 12.553 -3.692 1.00 0.00 N ATOM 779 CA THR A 48 107.547 12.483 -3.867 1.00 0.00 C ATOM 780 C THR A 48 107.189 11.111 -4.430 1.00 0.00 C ATOM 781 O THR A 48 107.365 10.838 -5.601 1.00 0.00 O ATOM 782 CB THR A 48 107.096 13.569 -4.846 1.00 0.00 C ATOM 783 OG1 THR A 48 107.494 14.841 -4.354 1.00 0.00 O ATOM 784 CG2 THR A 48 105.572 13.533 -5.000 1.00 0.00 C ATOM 0 H THR A 48 109.557 11.983 -4.341 1.00 0.00 H new ATOM 0 HA THR A 48 107.050 12.636 -2.909 1.00 0.00 H new ATOM 0 HB THR A 48 107.557 13.391 -5.818 1.00 0.00 H new ATOM 0 HG1 THR A 48 107.208 15.538 -4.980 1.00 0.00 H new ATOM 0 HG21 THR A 48 105.258 14.309 -5.698 1.00 0.00 H new ATOM 0 HG22 THR A 48 105.268 12.558 -5.380 1.00 0.00 H new ATOM 0 HG23 THR A 48 105.104 13.707 -4.031 1.00 0.00 H new ATOM 792 N VAL A 49 106.693 10.250 -3.599 1.00 0.00 N ATOM 793 CA VAL A 49 106.318 8.886 -4.061 1.00 0.00 C ATOM 794 C VAL A 49 104.854 8.880 -4.505 1.00 0.00 C ATOM 795 O VAL A 49 103.952 8.961 -3.696 1.00 0.00 O ATOM 796 CB VAL A 49 106.506 7.892 -2.912 1.00 0.00 C ATOM 797 CG1 VAL A 49 106.352 6.462 -3.438 1.00 0.00 C ATOM 798 CG2 VAL A 49 107.902 8.069 -2.310 1.00 0.00 C ATOM 0 H VAL A 49 106.528 10.430 -2.609 1.00 0.00 H new ATOM 0 HA VAL A 49 106.952 8.599 -4.900 1.00 0.00 H new ATOM 0 HB VAL A 49 105.753 8.077 -2.146 1.00 0.00 H new ATOM 0 HG11 VAL A 49 106.486 5.756 -2.618 1.00 0.00 H new ATOM 0 HG12 VAL A 49 105.357 6.337 -3.865 1.00 0.00 H new ATOM 0 HG13 VAL A 49 107.103 6.274 -4.205 1.00 0.00 H new ATOM 0 HG21 VAL A 49 108.038 7.362 -1.492 1.00 0.00 H new ATOM 0 HG22 VAL A 49 108.655 7.885 -3.077 1.00 0.00 H new ATOM 0 HG23 VAL A 49 108.009 9.086 -1.932 1.00 0.00 H new ATOM 808 N LYS A 50 104.610 8.782 -5.784 1.00 0.00 N ATOM 809 CA LYS A 50 103.201 8.769 -6.272 1.00 0.00 C ATOM 810 C LYS A 50 102.772 7.325 -6.547 1.00 0.00 C ATOM 811 O LYS A 50 103.093 6.759 -7.571 1.00 0.00 O ATOM 812 CB LYS A 50 103.102 9.584 -7.564 1.00 0.00 C ATOM 813 CG LYS A 50 101.646 9.990 -7.801 1.00 0.00 C ATOM 814 CD LYS A 50 101.420 10.235 -9.295 1.00 0.00 C ATOM 815 CE LYS A 50 100.210 11.151 -9.486 1.00 0.00 C ATOM 816 NZ LYS A 50 98.994 10.486 -8.940 1.00 0.00 N ATOM 0 H LYS A 50 105.323 8.711 -6.510 1.00 0.00 H new ATOM 0 HA LYS A 50 102.549 9.206 -5.515 1.00 0.00 H new ATOM 0 HB2 LYS A 50 103.732 10.471 -7.496 1.00 0.00 H new ATOM 0 HB3 LYS A 50 103.469 8.997 -8.406 1.00 0.00 H new ATOM 0 HG2 LYS A 50 100.977 9.207 -7.445 1.00 0.00 H new ATOM 0 HG3 LYS A 50 101.412 10.891 -7.235 1.00 0.00 H new ATOM 0 HD2 LYS A 50 102.306 10.689 -9.738 1.00 0.00 H new ATOM 0 HD3 LYS A 50 101.257 9.288 -9.809 1.00 0.00 H new ATOM 0 HE2 LYS A 50 100.376 12.102 -8.979 1.00 0.00 H new ATOM 0 HE3 LYS A 50 100.072 11.373 -10.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 98.146 10.996 -9.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 98.955 9.503 -9.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 99.031 10.494 -7.901 1.00 0.00 H new ATOM 830 N GLU A 51 102.047 6.723 -5.644 1.00 0.00 N ATOM 831 CA GLU A 51 101.606 5.317 -5.866 1.00 0.00 C ATOM 832 C GLU A 51 100.423 5.303 -6.837 1.00 0.00 C ATOM 833 O GLU A 51 99.740 6.292 -7.011 1.00 0.00 O ATOM 834 CB GLU A 51 101.181 4.695 -4.536 1.00 0.00 C ATOM 835 CG GLU A 51 102.374 4.665 -3.580 1.00 0.00 C ATOM 836 CD GLU A 51 102.625 6.070 -3.032 1.00 0.00 C ATOM 837 OE1 GLU A 51 101.875 6.490 -2.165 1.00 0.00 O ATOM 838 OE2 GLU A 51 103.563 6.704 -3.486 1.00 0.00 O ATOM 0 H GLU A 51 101.742 7.142 -4.765 1.00 0.00 H new ATOM 0 HA GLU A 51 102.431 4.741 -6.286 1.00 0.00 H new ATOM 0 HB2 GLU A 51 100.365 5.270 -4.098 1.00 0.00 H new ATOM 0 HB3 GLU A 51 100.807 3.684 -4.699 1.00 0.00 H new ATOM 0 HG2 GLU A 51 102.179 3.973 -2.761 1.00 0.00 H new ATOM 0 HG3 GLU A 51 103.261 4.302 -4.100 1.00 0.00 H new ATOM 845 N SER A 52 100.165 4.184 -7.458 1.00 0.00 N ATOM 846 CA SER A 52 99.028 4.101 -8.398 1.00 0.00 C ATOM 847 C SER A 52 98.654 2.640 -8.581 1.00 0.00 C ATOM 848 O SER A 52 99.336 1.878 -9.238 1.00 0.00 O ATOM 849 CB SER A 52 99.427 4.701 -9.745 1.00 0.00 C ATOM 850 OG SER A 52 100.225 5.857 -9.526 1.00 0.00 O ATOM 0 H SER A 52 100.700 3.323 -7.349 1.00 0.00 H new ATOM 0 HA SER A 52 98.178 4.656 -8.001 1.00 0.00 H new ATOM 0 HB2 SER A 52 99.981 3.969 -10.333 1.00 0.00 H new ATOM 0 HB3 SER A 52 98.537 4.962 -10.318 1.00 0.00 H new ATOM 0 HG SER A 52 99.940 6.299 -8.699 1.00 0.00 H new ATOM 856 N SER A 53 97.561 2.259 -8.006 1.00 0.00 N ATOM 857 CA SER A 53 97.089 0.859 -8.124 1.00 0.00 C ATOM 858 C SER A 53 95.643 0.880 -8.613 1.00 0.00 C ATOM 859 O SER A 53 94.873 1.751 -8.260 1.00 0.00 O ATOM 860 CB SER A 53 97.159 0.177 -6.757 1.00 0.00 C ATOM 861 OG SER A 53 95.908 0.319 -6.096 1.00 0.00 O ATOM 0 H SER A 53 96.961 2.867 -7.448 1.00 0.00 H new ATOM 0 HA SER A 53 97.715 0.308 -8.826 1.00 0.00 H new ATOM 0 HB2 SER A 53 97.402 -0.879 -6.877 1.00 0.00 H new ATOM 0 HB3 SER A 53 97.953 0.621 -6.157 1.00 0.00 H new ATOM 0 HG SER A 53 95.949 -0.119 -5.220 1.00 0.00 H new ATOM 867 N ALA A 54 95.265 -0.064 -9.421 1.00 0.00 N ATOM 868 CA ALA A 54 93.867 -0.087 -9.928 1.00 0.00 C ATOM 869 C ALA A 54 92.895 -0.168 -8.749 1.00 0.00 C ATOM 870 O ALA A 54 91.710 -0.369 -8.930 1.00 0.00 O ATOM 871 CB ALA A 54 93.674 -1.306 -10.833 1.00 0.00 C ATOM 0 H ALA A 54 95.862 -0.821 -9.754 1.00 0.00 H new ATOM 0 HA ALA A 54 93.672 0.823 -10.495 1.00 0.00 H new ATOM 0 HB1 ALA A 54 92.650 -1.324 -11.205 1.00 0.00 H new ATOM 0 HB2 ALA A 54 94.365 -1.248 -11.674 1.00 0.00 H new ATOM 0 HB3 ALA A 54 93.870 -2.215 -10.265 1.00 0.00 H new ATOM 877 N PHE A 55 93.383 -0.036 -7.541 1.00 0.00 N ATOM 878 CA PHE A 55 92.475 -0.135 -6.364 1.00 0.00 C ATOM 879 C PHE A 55 92.547 1.124 -5.485 1.00 0.00 C ATOM 880 O PHE A 55 91.725 1.300 -4.609 1.00 0.00 O ATOM 881 CB PHE A 55 92.869 -1.357 -5.530 1.00 0.00 C ATOM 882 CG PHE A 55 92.207 -1.283 -4.173 1.00 0.00 C ATOM 883 CD1 PHE A 55 90.831 -1.040 -4.076 1.00 0.00 C ATOM 884 CD2 PHE A 55 92.970 -1.456 -3.013 1.00 0.00 C ATOM 885 CE1 PHE A 55 90.219 -0.972 -2.818 1.00 0.00 C ATOM 886 CE2 PHE A 55 92.358 -1.388 -1.755 1.00 0.00 C ATOM 887 CZ PHE A 55 90.983 -1.145 -1.658 1.00 0.00 C ATOM 0 H PHE A 55 94.365 0.135 -7.322 1.00 0.00 H new ATOM 0 HA PHE A 55 91.453 -0.233 -6.729 1.00 0.00 H new ATOM 0 HB2 PHE A 55 92.569 -2.271 -6.042 1.00 0.00 H new ATOM 0 HB3 PHE A 55 93.952 -1.397 -5.415 1.00 0.00 H new ATOM 0 HD1 PHE A 55 90.242 -0.905 -4.971 1.00 0.00 H new ATOM 0 HD2 PHE A 55 94.031 -1.642 -3.088 1.00 0.00 H new ATOM 0 HE1 PHE A 55 89.158 -0.786 -2.743 1.00 0.00 H new ATOM 0 HE2 PHE A 55 92.947 -1.523 -0.860 1.00 0.00 H new ATOM 0 HZ PHE A 55 90.511 -1.091 -0.688 1.00 0.00 H new ATOM 897 N ARG A 56 93.502 2.001 -5.687 1.00 0.00 N ATOM 898 CA ARG A 56 93.566 3.218 -4.825 1.00 0.00 C ATOM 899 C ARG A 56 94.932 3.887 -4.971 1.00 0.00 C ATOM 900 O ARG A 56 95.831 3.668 -4.183 1.00 0.00 O ATOM 901 CB ARG A 56 93.348 2.826 -3.356 1.00 0.00 C ATOM 902 CG ARG A 56 91.959 3.279 -2.897 1.00 0.00 C ATOM 903 CD ARG A 56 92.035 4.720 -2.390 1.00 0.00 C ATOM 904 NE ARG A 56 90.667 5.307 -2.350 1.00 0.00 N ATOM 905 CZ ARG A 56 90.497 6.538 -1.951 1.00 0.00 C ATOM 906 NH1 ARG A 56 89.299 7.053 -1.914 1.00 0.00 N ATOM 907 NH2 ARG A 56 91.526 7.253 -1.588 1.00 0.00 N ATOM 0 H ARG A 56 94.228 1.927 -6.400 1.00 0.00 H new ATOM 0 HA ARG A 56 92.787 3.913 -5.136 1.00 0.00 H new ATOM 0 HB2 ARG A 56 93.445 1.746 -3.240 1.00 0.00 H new ATOM 0 HB3 ARG A 56 94.115 3.284 -2.731 1.00 0.00 H new ATOM 0 HG2 ARG A 56 91.251 3.209 -3.723 1.00 0.00 H new ATOM 0 HG3 ARG A 56 91.593 2.623 -2.107 1.00 0.00 H new ATOM 0 HD2 ARG A 56 92.481 4.744 -1.396 1.00 0.00 H new ATOM 0 HD3 ARG A 56 92.677 5.312 -3.042 1.00 0.00 H new ATOM 0 HE ARG A 56 89.863 4.747 -2.634 1.00 0.00 H new ATOM 0 HH11 ARG A 56 88.494 6.494 -2.197 1.00 0.00 H new ATOM 0 HH12 ARG A 56 89.167 8.015 -1.602 1.00 0.00 H new ATOM 0 HH21 ARG A 56 92.463 6.850 -1.616 1.00 0.00 H new ATOM 0 HH22 ARG A 56 91.394 8.215 -1.276 1.00 0.00 H new ATOM 921 N ASN A 57 95.091 4.705 -5.968 1.00 0.00 N ATOM 922 CA ASN A 57 96.395 5.397 -6.161 1.00 0.00 C ATOM 923 C ASN A 57 96.661 6.324 -4.973 1.00 0.00 C ATOM 924 O ASN A 57 95.751 6.870 -4.383 1.00 0.00 O ATOM 925 CB ASN A 57 96.348 6.221 -7.450 1.00 0.00 C ATOM 926 CG ASN A 57 95.257 7.287 -7.335 1.00 0.00 C ATOM 927 OD1 ASN A 57 94.403 7.209 -6.473 1.00 0.00 O ATOM 928 ND2 ASN A 57 95.247 8.287 -8.174 1.00 0.00 N ATOM 0 H ASN A 57 94.375 4.926 -6.660 1.00 0.00 H new ATOM 0 HA ASN A 57 97.193 4.657 -6.231 1.00 0.00 H new ATOM 0 HB2 ASN A 57 97.314 6.692 -7.628 1.00 0.00 H new ATOM 0 HB3 ASN A 57 96.148 5.571 -8.302 1.00 0.00 H new ATOM 0 HD21 ASN A 57 94.523 9.002 -8.106 1.00 0.00 H new ATOM 0 HD22 ASN A 57 95.963 8.353 -8.897 1.00 0.00 H new ATOM 935 N ILE A 58 97.906 6.497 -4.610 1.00 0.00 N ATOM 936 CA ILE A 58 98.230 7.376 -3.455 1.00 0.00 C ATOM 937 C ILE A 58 99.451 8.232 -3.775 1.00 0.00 C ATOM 938 O ILE A 58 100.091 8.079 -4.797 1.00 0.00 O ATOM 939 CB ILE A 58 98.542 6.534 -2.229 1.00 0.00 C ATOM 940 CG1 ILE A 58 97.692 5.268 -2.241 1.00 0.00 C ATOM 941 CG2 ILE A 58 98.239 7.340 -0.958 1.00 0.00 C ATOM 942 CD1 ILE A 58 97.682 4.674 -0.837 1.00 0.00 C ATOM 0 H ILE A 58 98.710 6.066 -5.066 1.00 0.00 H new ATOM 0 HA ILE A 58 97.369 8.014 -3.259 1.00 0.00 H new ATOM 0 HB ILE A 58 99.597 6.261 -2.244 1.00 0.00 H new ATOM 0 HG12 ILE A 58 96.676 5.498 -2.561 1.00 0.00 H new ATOM 0 HG13 ILE A 58 98.096 4.548 -2.953 1.00 0.00 H new ATOM 0 HG21 ILE A 58 98.464 6.734 -0.080 1.00 0.00 H new ATOM 0 HG22 ILE A 58 98.853 8.241 -0.943 1.00 0.00 H new ATOM 0 HG23 ILE A 58 97.185 7.619 -0.946 1.00 0.00 H new ATOM 0 HD11 ILE A 58 97.077 3.767 -0.830 1.00 0.00 H new ATOM 0 HD12 ILE A 58 98.702 4.433 -0.537 1.00 0.00 H new ATOM 0 HD13 ILE A 58 97.260 5.397 -0.139 1.00 0.00 H new ATOM 954 N GLU A 59 99.772 9.131 -2.894 1.00 0.00 N ATOM 955 CA GLU A 59 100.953 10.013 -3.111 1.00 0.00 C ATOM 956 C GLU A 59 101.448 10.532 -1.759 1.00 0.00 C ATOM 957 O GLU A 59 100.671 10.942 -0.919 1.00 0.00 O ATOM 958 CB GLU A 59 100.550 11.183 -4.027 1.00 0.00 C ATOM 959 CG GLU A 59 100.846 12.526 -3.347 1.00 0.00 C ATOM 960 CD GLU A 59 100.493 13.667 -4.302 1.00 0.00 C ATOM 961 OE1 GLU A 59 99.778 13.414 -5.257 1.00 0.00 O ATOM 962 OE2 GLU A 59 100.944 14.775 -4.063 1.00 0.00 O ATOM 0 H GLU A 59 99.265 9.296 -2.025 1.00 0.00 H new ATOM 0 HA GLU A 59 101.758 9.455 -3.589 1.00 0.00 H new ATOM 0 HB2 GLU A 59 101.094 11.118 -4.969 1.00 0.00 H new ATOM 0 HB3 GLU A 59 99.489 11.116 -4.266 1.00 0.00 H new ATOM 0 HG2 GLU A 59 100.269 12.615 -2.427 1.00 0.00 H new ATOM 0 HG3 GLU A 59 101.899 12.582 -3.070 1.00 0.00 H new ATOM 969 N CYS A 60 102.735 10.513 -1.540 1.00 0.00 N ATOM 970 CA CYS A 60 103.269 11.002 -0.238 1.00 0.00 C ATOM 971 C CYS A 60 104.625 11.683 -0.452 1.00 0.00 C ATOM 972 O CYS A 60 105.617 11.040 -0.737 1.00 0.00 O ATOM 973 CB CYS A 60 103.440 9.810 0.711 1.00 0.00 C ATOM 974 SG CYS A 60 102.863 10.260 2.367 1.00 0.00 S ATOM 0 H CYS A 60 103.436 10.182 -2.203 1.00 0.00 H new ATOM 0 HA CYS A 60 102.574 11.723 0.192 1.00 0.00 H new ATOM 0 HB2 CYS A 60 102.877 8.954 0.340 1.00 0.00 H new ATOM 0 HB3 CYS A 60 104.487 9.511 0.749 1.00 0.00 H new ATOM 980 N VAL A 61 104.675 12.982 -0.316 1.00 0.00 N ATOM 981 CA VAL A 61 105.951 13.709 -0.502 1.00 0.00 C ATOM 982 C VAL A 61 106.503 14.135 0.847 1.00 0.00 C ATOM 983 O VAL A 61 105.772 14.332 1.797 1.00 0.00 O ATOM 984 CB VAL A 61 105.685 14.940 -1.354 1.00 0.00 C ATOM 985 CG1 VAL A 61 104.304 15.505 -1.018 1.00 0.00 C ATOM 986 CG2 VAL A 61 106.749 16.011 -1.091 1.00 0.00 C ATOM 0 H VAL A 61 103.875 13.570 -0.082 1.00 0.00 H new ATOM 0 HA VAL A 61 106.678 13.062 -0.992 1.00 0.00 H new ATOM 0 HB VAL A 61 105.722 14.654 -2.405 1.00 0.00 H new ATOM 0 HG11 VAL A 61 104.113 16.387 -1.629 1.00 0.00 H new ATOM 0 HG12 VAL A 61 103.543 14.751 -1.222 1.00 0.00 H new ATOM 0 HG13 VAL A 61 104.270 15.779 0.036 1.00 0.00 H new ATOM 0 HG21 VAL A 61 106.545 16.886 -1.708 1.00 0.00 H new ATOM 0 HG22 VAL A 61 106.726 16.296 -0.039 1.00 0.00 H new ATOM 0 HG23 VAL A 61 107.734 15.614 -1.338 1.00 0.00 H new ATOM 996 N PHE A 62 107.790 14.290 0.940 1.00 0.00 N ATOM 997 CA PHE A 62 108.372 14.717 2.248 1.00 0.00 C ATOM 998 C PHE A 62 109.902 14.748 2.188 1.00 0.00 C ATOM 999 O PHE A 62 110.509 14.455 1.176 1.00 0.00 O ATOM 1000 CB PHE A 62 107.923 13.741 3.342 1.00 0.00 C ATOM 1001 CG PHE A 62 106.810 14.362 4.154 1.00 0.00 C ATOM 1002 CD1 PHE A 62 107.025 15.573 4.824 1.00 0.00 C ATOM 1003 CD2 PHE A 62 105.564 13.728 4.237 1.00 0.00 C ATOM 1004 CE1 PHE A 62 105.995 16.149 5.576 1.00 0.00 C ATOM 1005 CE2 PHE A 62 104.534 14.305 4.989 1.00 0.00 C ATOM 1006 CZ PHE A 62 104.749 15.515 5.658 1.00 0.00 C ATOM 0 H PHE A 62 108.459 14.144 0.184 1.00 0.00 H new ATOM 0 HA PHE A 62 108.019 15.723 2.472 1.00 0.00 H new ATOM 0 HB2 PHE A 62 107.582 12.808 2.893 1.00 0.00 H new ATOM 0 HB3 PHE A 62 108.764 13.494 3.990 1.00 0.00 H new ATOM 0 HD1 PHE A 62 107.986 16.062 4.760 1.00 0.00 H new ATOM 0 HD2 PHE A 62 105.398 12.794 3.721 1.00 0.00 H new ATOM 0 HE1 PHE A 62 106.161 17.082 6.093 1.00 0.00 H new ATOM 0 HE2 PHE A 62 103.573 13.816 5.053 1.00 0.00 H new ATOM 0 HZ PHE A 62 103.954 15.960 6.238 1.00 0.00 H new ATOM 1016 N GLU A 63 110.521 15.099 3.285 1.00 0.00 N ATOM 1017 CA GLU A 63 112.009 15.155 3.343 1.00 0.00 C ATOM 1018 C GLU A 63 112.501 14.140 4.377 1.00 0.00 C ATOM 1019 O GLU A 63 111.939 14.015 5.446 1.00 0.00 O ATOM 1020 CB GLU A 63 112.444 16.562 3.763 1.00 0.00 C ATOM 1021 CG GLU A 63 113.907 16.538 4.211 1.00 0.00 C ATOM 1022 CD GLU A 63 114.424 17.972 4.345 1.00 0.00 C ATOM 1023 OE1 GLU A 63 113.690 18.881 3.992 1.00 0.00 O ATOM 1024 OE2 GLU A 63 115.545 18.137 4.798 1.00 0.00 O ATOM 0 H GLU A 63 110.051 15.352 4.154 1.00 0.00 H new ATOM 0 HA GLU A 63 112.431 14.921 2.365 1.00 0.00 H new ATOM 0 HB2 GLU A 63 112.320 17.255 2.931 1.00 0.00 H new ATOM 0 HB3 GLU A 63 111.811 16.922 4.574 1.00 0.00 H new ATOM 0 HG2 GLU A 63 113.998 16.017 5.164 1.00 0.00 H new ATOM 0 HG3 GLU A 63 114.511 15.989 3.489 1.00 0.00 H new ATOM 1031 N LEU A 64 113.539 13.411 4.075 1.00 0.00 N ATOM 1032 CA LEU A 64 114.045 12.406 5.054 1.00 0.00 C ATOM 1033 C LEU A 64 114.495 13.115 6.334 1.00 0.00 C ATOM 1034 O LEU A 64 115.062 14.188 6.295 1.00 0.00 O ATOM 1035 CB LEU A 64 115.224 11.638 4.444 1.00 0.00 C ATOM 1036 CG LEU A 64 116.473 12.528 4.420 1.00 0.00 C ATOM 1037 CD1 LEU A 64 117.342 12.237 5.647 1.00 0.00 C ATOM 1038 CD2 LEU A 64 117.280 12.239 3.151 1.00 0.00 C ATOM 0 H LEU A 64 114.057 13.466 3.198 1.00 0.00 H new ATOM 0 HA LEU A 64 113.247 11.704 5.295 1.00 0.00 H new ATOM 0 HB2 LEU A 64 115.421 10.736 5.024 1.00 0.00 H new ATOM 0 HB3 LEU A 64 114.976 11.318 3.432 1.00 0.00 H new ATOM 0 HG LEU A 64 116.167 13.574 4.433 1.00 0.00 H new ATOM 0 HD11 LEU A 64 118.228 12.872 5.625 1.00 0.00 H new ATOM 0 HD12 LEU A 64 116.772 12.441 6.553 1.00 0.00 H new ATOM 0 HD13 LEU A 64 117.646 11.190 5.638 1.00 0.00 H new ATOM 0 HD21 LEU A 64 118.168 12.871 3.133 1.00 0.00 H new ATOM 0 HD22 LEU A 64 117.580 11.191 3.141 1.00 0.00 H new ATOM 0 HD23 LEU A 64 116.667 12.449 2.274 1.00 0.00 H new ATOM 1050 N GLY A 65 114.248 12.519 7.471 1.00 0.00 N ATOM 1051 CA GLY A 65 114.666 13.154 8.755 1.00 0.00 C ATOM 1052 C GLY A 65 113.434 13.629 9.534 1.00 0.00 C ATOM 1053 O GLY A 65 113.412 13.602 10.748 1.00 0.00 O ATOM 0 H GLY A 65 113.775 11.620 7.566 1.00 0.00 H new ATOM 0 HA2 GLY A 65 115.232 12.441 9.355 1.00 0.00 H new ATOM 0 HA3 GLY A 65 115.326 13.998 8.554 1.00 0.00 H new ATOM 1057 N VAL A 66 112.412 14.073 8.850 1.00 0.00 N ATOM 1058 CA VAL A 66 111.195 14.555 9.562 1.00 0.00 C ATOM 1059 C VAL A 66 110.095 13.492 9.496 1.00 0.00 C ATOM 1060 O VAL A 66 109.718 13.039 8.435 1.00 0.00 O ATOM 1061 CB VAL A 66 110.700 15.848 8.908 1.00 0.00 C ATOM 1062 CG1 VAL A 66 110.020 15.524 7.576 1.00 0.00 C ATOM 1063 CG2 VAL A 66 109.696 16.535 9.836 1.00 0.00 C ATOM 0 H VAL A 66 112.369 14.122 7.832 1.00 0.00 H new ATOM 0 HA VAL A 66 111.443 14.746 10.606 1.00 0.00 H new ATOM 0 HB VAL A 66 111.547 16.510 8.730 1.00 0.00 H new ATOM 0 HG11 VAL A 66 109.669 16.446 7.113 1.00 0.00 H new ATOM 0 HG12 VAL A 66 110.733 15.034 6.913 1.00 0.00 H new ATOM 0 HG13 VAL A 66 109.173 14.861 7.752 1.00 0.00 H new ATOM 0 HG21 VAL A 66 109.343 17.456 9.372 1.00 0.00 H new ATOM 0 HG22 VAL A 66 108.851 15.870 10.013 1.00 0.00 H new ATOM 0 HG23 VAL A 66 110.179 16.769 10.785 1.00 0.00 H new ATOM 1073 N THR A 67 109.577 13.093 10.626 1.00 0.00 N ATOM 1074 CA THR A 67 108.501 12.064 10.639 1.00 0.00 C ATOM 1075 C THR A 67 107.301 12.559 9.845 1.00 0.00 C ATOM 1076 O THR A 67 106.939 13.718 9.884 1.00 0.00 O ATOM 1077 CB THR A 67 108.065 11.801 12.079 1.00 0.00 C ATOM 1078 OG1 THR A 67 109.159 12.037 12.954 1.00 0.00 O ATOM 1079 CG2 THR A 67 107.593 10.351 12.228 1.00 0.00 C ATOM 0 H THR A 67 109.855 13.438 11.545 1.00 0.00 H new ATOM 0 HA THR A 67 108.883 11.147 10.191 1.00 0.00 H new ATOM 0 HB THR A 67 107.242 12.470 12.332 1.00 0.00 H new ATOM 0 HG1 THR A 67 108.880 11.870 13.879 1.00 0.00 H new ATOM 0 HG21 THR A 67 107.284 10.173 13.258 1.00 0.00 H new ATOM 0 HG22 THR A 67 106.750 10.172 11.560 1.00 0.00 H new ATOM 0 HG23 THR A 67 108.409 9.675 11.972 1.00 0.00 H new ATOM 1087 N PHE A 68 106.670 11.669 9.152 1.00 0.00 N ATOM 1088 CA PHE A 68 105.467 12.035 8.367 1.00 0.00 C ATOM 1089 C PHE A 68 104.547 10.824 8.331 1.00 0.00 C ATOM 1090 O PHE A 68 104.781 9.849 9.016 1.00 0.00 O ATOM 1091 CB PHE A 68 105.845 12.447 6.941 1.00 0.00 C ATOM 1092 CG PHE A 68 107.121 11.763 6.517 1.00 0.00 C ATOM 1093 CD1 PHE A 68 107.155 10.373 6.346 1.00 0.00 C ATOM 1094 CD2 PHE A 68 108.270 12.526 6.280 1.00 0.00 C ATOM 1095 CE1 PHE A 68 108.342 9.750 5.937 1.00 0.00 C ATOM 1096 CE2 PHE A 68 109.453 11.900 5.876 1.00 0.00 C ATOM 1097 CZ PHE A 68 109.487 10.514 5.704 1.00 0.00 C ATOM 0 H PHE A 68 106.938 10.687 9.093 1.00 0.00 H new ATOM 0 HA PHE A 68 104.969 12.885 8.834 1.00 0.00 H new ATOM 0 HB2 PHE A 68 105.040 12.186 6.255 1.00 0.00 H new ATOM 0 HB3 PHE A 68 105.970 13.529 6.889 1.00 0.00 H new ATOM 0 HD1 PHE A 68 106.269 9.783 6.529 1.00 0.00 H new ATOM 0 HD2 PHE A 68 108.243 13.598 6.409 1.00 0.00 H new ATOM 0 HE1 PHE A 68 108.371 8.679 5.802 1.00 0.00 H new ATOM 0 HE2 PHE A 68 110.341 12.488 5.697 1.00 0.00 H new ATOM 0 HZ PHE A 68 110.401 10.032 5.390 1.00 0.00 H new ATOM 1107 N ASN A 69 103.505 10.865 7.556 1.00 0.00 N ATOM 1108 CA ASN A 69 102.590 9.698 7.511 1.00 0.00 C ATOM 1109 C ASN A 69 102.208 9.378 6.067 1.00 0.00 C ATOM 1110 O ASN A 69 102.152 10.242 5.215 1.00 0.00 O ATOM 1111 CB ASN A 69 101.327 10.009 8.316 1.00 0.00 C ATOM 1112 CG ASN A 69 100.492 11.054 7.575 1.00 0.00 C ATOM 1113 OD1 ASN A 69 99.674 10.670 6.634 1.00 0.00 O flip ATOM 1114 ND2 ASN A 69 100.585 12.233 7.855 1.00 0.00 N flip ATOM 0 H ASN A 69 103.248 11.649 6.956 1.00 0.00 H new ATOM 0 HA ASN A 69 103.098 8.835 7.941 1.00 0.00 H new ATOM 0 HB2 ASN A 69 100.744 9.100 8.463 1.00 0.00 H new ATOM 0 HB3 ASN A 69 101.596 10.378 9.306 1.00 0.00 H new ATOM 0 HD21 ASN A 69 101.224 12.534 8.591 1.00 0.00 H new ATOM 0 HD22 ASN A 69 100.024 12.922 7.354 1.00 0.00 H new ATOM 1121 N CYS A 70 101.936 8.134 5.799 1.00 0.00 N ATOM 1122 CA CYS A 70 101.543 7.722 4.428 1.00 0.00 C ATOM 1123 C CYS A 70 100.733 6.433 4.541 1.00 0.00 C ATOM 1124 O CYS A 70 101.076 5.543 5.294 1.00 0.00 O ATOM 1125 CB CYS A 70 102.792 7.481 3.578 1.00 0.00 C ATOM 1126 SG CYS A 70 103.825 8.970 3.592 1.00 0.00 S ATOM 0 H CYS A 70 101.970 7.376 6.481 1.00 0.00 H new ATOM 0 HA CYS A 70 100.950 8.503 3.952 1.00 0.00 H new ATOM 0 HB2 CYS A 70 103.353 6.632 3.969 1.00 0.00 H new ATOM 0 HB3 CYS A 70 102.507 7.232 2.556 1.00 0.00 H new ATOM 1132 N ASN A 71 99.647 6.327 3.831 1.00 0.00 N ATOM 1133 CA ASN A 71 98.821 5.096 3.943 1.00 0.00 C ATOM 1134 C ASN A 71 99.186 4.102 2.843 1.00 0.00 C ATOM 1135 O ASN A 71 99.494 4.472 1.728 1.00 0.00 O ATOM 1136 CB ASN A 71 97.340 5.463 3.830 1.00 0.00 C ATOM 1137 CG ASN A 71 97.171 6.613 2.836 1.00 0.00 C ATOM 1138 OD1 ASN A 71 97.870 6.681 1.844 1.00 0.00 O ATOM 1139 ND2 ASN A 71 96.268 7.528 3.061 1.00 0.00 N ATOM 0 H ASN A 71 99.298 7.033 3.183 1.00 0.00 H new ATOM 0 HA ASN A 71 99.014 4.632 4.910 1.00 0.00 H new ATOM 0 HB2 ASN A 71 96.764 4.598 3.502 1.00 0.00 H new ATOM 0 HB3 ASN A 71 96.951 5.753 4.806 1.00 0.00 H new ATOM 0 HD21 ASN A 71 96.149 8.300 2.405 1.00 0.00 H new ATOM 0 HD22 ASN A 71 95.681 7.472 3.893 1.00 0.00 H new ATOM 1146 N LEU A 72 99.144 2.835 3.156 1.00 0.00 N ATOM 1147 CA LEU A 72 99.480 1.802 2.137 1.00 0.00 C ATOM 1148 C LEU A 72 98.203 1.383 1.404 1.00 0.00 C ATOM 1149 O LEU A 72 97.129 1.356 1.975 1.00 0.00 O ATOM 1150 CB LEU A 72 100.092 0.579 2.827 1.00 0.00 C ATOM 1151 CG LEU A 72 101.299 1.010 3.660 1.00 0.00 C ATOM 1152 CD1 LEU A 72 101.598 -0.059 4.713 1.00 0.00 C ATOM 1153 CD2 LEU A 72 102.516 1.177 2.748 1.00 0.00 C ATOM 0 H LEU A 72 98.891 2.471 4.075 1.00 0.00 H new ATOM 0 HA LEU A 72 100.196 2.213 1.425 1.00 0.00 H new ATOM 0 HB2 LEU A 72 99.350 0.100 3.465 1.00 0.00 H new ATOM 0 HB3 LEU A 72 100.395 -0.157 2.083 1.00 0.00 H new ATOM 0 HG LEU A 72 101.080 1.958 4.152 1.00 0.00 H new ATOM 0 HD11 LEU A 72 102.459 0.247 5.308 1.00 0.00 H new ATOM 0 HD12 LEU A 72 100.732 -0.181 5.364 1.00 0.00 H new ATOM 0 HD13 LEU A 72 101.817 -1.006 4.219 1.00 0.00 H new ATOM 0 HD21 LEU A 72 103.377 1.484 3.342 1.00 0.00 H new ATOM 0 HD22 LEU A 72 102.735 0.229 2.256 1.00 0.00 H new ATOM 0 HD23 LEU A 72 102.305 1.937 1.995 1.00 0.00 H new ATOM 1165 N ALA A 73 98.315 1.053 0.145 1.00 0.00 N ATOM 1166 CA ALA A 73 97.114 0.635 -0.632 1.00 0.00 C ATOM 1167 C ALA A 73 96.253 -0.303 0.214 1.00 0.00 C ATOM 1168 O ALA A 73 95.041 -0.285 0.139 1.00 0.00 O ATOM 1169 CB ALA A 73 97.558 -0.090 -1.904 1.00 0.00 C ATOM 0 H ALA A 73 99.190 1.055 -0.380 1.00 0.00 H new ATOM 0 HA ALA A 73 96.532 1.517 -0.898 1.00 0.00 H new ATOM 0 HB1 ALA A 73 96.680 -0.396 -2.473 1.00 0.00 H new ATOM 0 HB2 ALA A 73 98.168 0.579 -2.510 1.00 0.00 H new ATOM 0 HB3 ALA A 73 98.142 -0.970 -1.636 1.00 0.00 H new ATOM 1175 N ASP A 74 96.868 -1.123 1.021 1.00 0.00 N ATOM 1176 CA ASP A 74 96.081 -2.060 1.870 1.00 0.00 C ATOM 1177 C ASP A 74 95.120 -1.261 2.753 1.00 0.00 C ATOM 1178 O ASP A 74 94.427 -1.808 3.588 1.00 0.00 O ATOM 1179 CB ASP A 74 97.032 -2.869 2.754 1.00 0.00 C ATOM 1180 CG ASP A 74 98.319 -3.164 1.982 1.00 0.00 C ATOM 1181 OD1 ASP A 74 98.235 -3.350 0.779 1.00 0.00 O ATOM 1182 OD2 ASP A 74 99.367 -3.198 2.607 1.00 0.00 O ATOM 0 H ASP A 74 97.880 -1.184 1.129 1.00 0.00 H new ATOM 0 HA ASP A 74 95.513 -2.738 1.233 1.00 0.00 H new ATOM 0 HB2 ASP A 74 97.260 -2.314 3.664 1.00 0.00 H new ATOM 0 HB3 ASP A 74 96.557 -3.801 3.060 1.00 0.00 H new ATOM 1187 N GLY A 75 95.073 0.033 2.577 1.00 0.00 N ATOM 1188 CA GLY A 75 94.160 0.865 3.408 1.00 0.00 C ATOM 1189 C GLY A 75 94.764 1.045 4.800 1.00 0.00 C ATOM 1190 O GLY A 75 94.063 1.247 5.771 1.00 0.00 O ATOM 0 H GLY A 75 95.628 0.548 1.893 1.00 0.00 H new ATOM 0 HA2 GLY A 75 94.006 1.836 2.938 1.00 0.00 H new ATOM 0 HA3 GLY A 75 93.182 0.389 3.482 1.00 0.00 H new ATOM 1194 N THR A 76 96.062 0.970 4.905 1.00 0.00 N ATOM 1195 CA THR A 76 96.716 1.132 6.227 1.00 0.00 C ATOM 1196 C THR A 76 97.263 2.552 6.355 1.00 0.00 C ATOM 1197 O THR A 76 97.437 3.254 5.380 1.00 0.00 O ATOM 1198 CB THR A 76 97.867 0.140 6.361 1.00 0.00 C ATOM 1199 OG1 THR A 76 97.708 -0.904 5.411 1.00 0.00 O ATOM 1200 CG2 THR A 76 97.888 -0.446 7.775 1.00 0.00 C ATOM 0 H THR A 76 96.698 0.802 4.126 1.00 0.00 H new ATOM 0 HA THR A 76 95.983 0.946 7.012 1.00 0.00 H new ATOM 0 HB THR A 76 98.809 0.656 6.176 1.00 0.00 H new ATOM 0 HG1 THR A 76 98.449 -1.540 5.497 1.00 0.00 H new ATOM 0 HG21 THR A 76 98.712 -1.154 7.863 1.00 0.00 H new ATOM 0 HG22 THR A 76 98.020 0.357 8.500 1.00 0.00 H new ATOM 0 HG23 THR A 76 96.947 -0.960 7.970 1.00 0.00 H new ATOM 1208 N GLU A 77 97.541 2.968 7.554 1.00 0.00 N ATOM 1209 CA GLU A 77 98.088 4.333 7.775 1.00 0.00 C ATOM 1210 C GLU A 77 99.287 4.240 8.720 1.00 0.00 C ATOM 1211 O GLU A 77 99.169 3.762 9.831 1.00 0.00 O ATOM 1212 CB GLU A 77 97.009 5.221 8.399 1.00 0.00 C ATOM 1213 CG GLU A 77 97.474 6.676 8.377 1.00 0.00 C ATOM 1214 CD GLU A 77 96.292 7.595 8.694 1.00 0.00 C ATOM 1215 OE1 GLU A 77 95.702 8.113 7.760 1.00 0.00 O ATOM 1216 OE2 GLU A 77 95.997 7.765 9.866 1.00 0.00 O ATOM 0 H GLU A 77 97.412 2.415 8.401 1.00 0.00 H new ATOM 0 HA GLU A 77 98.401 4.765 6.824 1.00 0.00 H new ATOM 0 HB2 GLU A 77 96.074 5.118 7.848 1.00 0.00 H new ATOM 0 HB3 GLU A 77 96.811 4.906 9.424 1.00 0.00 H new ATOM 0 HG2 GLU A 77 98.270 6.825 9.106 1.00 0.00 H new ATOM 0 HG3 GLU A 77 97.887 6.922 7.399 1.00 0.00 H new ATOM 1223 N LEU A 78 100.447 4.678 8.296 1.00 0.00 N ATOM 1224 CA LEU A 78 101.639 4.587 9.195 1.00 0.00 C ATOM 1225 C LEU A 78 102.431 5.897 9.170 1.00 0.00 C ATOM 1226 O LEU A 78 102.280 6.712 8.282 1.00 0.00 O ATOM 1227 CB LEU A 78 102.549 3.446 8.732 1.00 0.00 C ATOM 1228 CG LEU A 78 101.705 2.310 8.150 1.00 0.00 C ATOM 1229 CD1 LEU A 78 101.472 2.558 6.657 1.00 0.00 C ATOM 1230 CD2 LEU A 78 102.444 0.983 8.336 1.00 0.00 C ATOM 0 H LEU A 78 100.619 5.089 7.379 1.00 0.00 H new ATOM 0 HA LEU A 78 101.291 4.398 10.211 1.00 0.00 H new ATOM 0 HB2 LEU A 78 103.251 3.810 7.982 1.00 0.00 H new ATOM 0 HB3 LEU A 78 103.141 3.078 9.570 1.00 0.00 H new ATOM 0 HG LEU A 78 100.745 2.270 8.665 1.00 0.00 H new ATOM 0 HD11 LEU A 78 100.871 1.748 6.243 1.00 0.00 H new ATOM 0 HD12 LEU A 78 100.948 3.504 6.523 1.00 0.00 H new ATOM 0 HD13 LEU A 78 102.431 2.598 6.141 1.00 0.00 H new ATOM 0 HD21 LEU A 78 101.845 0.172 7.922 1.00 0.00 H new ATOM 0 HD22 LEU A 78 103.403 1.025 7.820 1.00 0.00 H new ATOM 0 HD23 LEU A 78 102.611 0.805 9.398 1.00 0.00 H new ATOM 1242 N ARG A 79 103.284 6.097 10.143 1.00 0.00 N ATOM 1243 CA ARG A 79 104.098 7.348 10.184 1.00 0.00 C ATOM 1244 C ARG A 79 105.497 7.041 10.718 1.00 0.00 C ATOM 1245 O ARG A 79 105.669 6.223 11.599 1.00 0.00 O ATOM 1246 CB ARG A 79 103.415 8.374 11.092 1.00 0.00 C ATOM 1247 CG ARG A 79 103.368 7.839 12.526 1.00 0.00 C ATOM 1248 CD ARG A 79 102.724 8.880 13.447 1.00 0.00 C ATOM 1249 NE ARG A 79 101.977 9.880 12.630 1.00 0.00 N ATOM 1250 CZ ARG A 79 101.860 11.110 13.049 1.00 0.00 C ATOM 1251 NH1 ARG A 79 101.210 11.984 12.330 1.00 0.00 N ATOM 1252 NH2 ARG A 79 102.389 11.467 14.188 1.00 0.00 N ATOM 0 H ARG A 79 103.451 5.447 10.911 1.00 0.00 H new ATOM 0 HA ARG A 79 104.182 7.754 9.176 1.00 0.00 H new ATOM 0 HB2 ARG A 79 103.958 9.319 11.063 1.00 0.00 H new ATOM 0 HB3 ARG A 79 102.405 8.576 10.735 1.00 0.00 H new ATOM 0 HG2 ARG A 79 102.799 6.910 12.559 1.00 0.00 H new ATOM 0 HG3 ARG A 79 104.376 7.608 12.871 1.00 0.00 H new ATOM 0 HD2 ARG A 79 102.048 8.391 14.148 1.00 0.00 H new ATOM 0 HD3 ARG A 79 103.491 9.380 14.039 1.00 0.00 H new ATOM 0 HE ARG A 79 101.557 9.602 11.743 1.00 0.00 H new ATOM 0 HH11 ARG A 79 100.794 11.705 11.441 1.00 0.00 H new ATOM 0 HH12 ARG A 79 101.118 12.946 12.657 1.00 0.00 H new ATOM 0 HH21 ARG A 79 102.895 10.784 14.752 1.00 0.00 H new ATOM 0 HH22 ARG A 79 102.297 12.429 14.514 1.00 0.00 H new ATOM 1266 N GLY A 80 106.503 7.692 10.192 1.00 0.00 N ATOM 1267 CA GLY A 80 107.879 7.441 10.665 1.00 0.00 C ATOM 1268 C GLY A 80 108.829 8.191 9.747 1.00 0.00 C ATOM 1269 O GLY A 80 108.785 9.399 9.658 1.00 0.00 O ATOM 0 H GLY A 80 106.420 8.389 9.452 1.00 0.00 H new ATOM 0 HA2 GLY A 80 107.997 7.779 11.695 1.00 0.00 H new ATOM 0 HA3 GLY A 80 108.099 6.373 10.652 1.00 0.00 H new ATOM 1273 N THR A 81 109.670 7.497 9.041 1.00 0.00 N ATOM 1274 CA THR A 81 110.605 8.206 8.117 1.00 0.00 C ATOM 1275 C THR A 81 111.642 7.240 7.548 1.00 0.00 C ATOM 1276 O THR A 81 111.926 6.203 8.115 1.00 0.00 O ATOM 1277 CB THR A 81 111.340 9.319 8.881 1.00 0.00 C ATOM 1278 OG1 THR A 81 110.970 9.286 10.252 1.00 0.00 O ATOM 1279 CG2 THR A 81 110.982 10.681 8.286 1.00 0.00 C ATOM 0 H THR A 81 109.755 6.481 9.059 1.00 0.00 H new ATOM 0 HA THR A 81 110.020 8.628 7.299 1.00 0.00 H new ATOM 0 HB THR A 81 112.415 9.160 8.794 1.00 0.00 H new ATOM 0 HG1 THR A 81 110.133 9.780 10.377 1.00 0.00 H new ATOM 0 HG21 THR A 81 111.506 11.466 8.832 1.00 0.00 H new ATOM 0 HG22 THR A 81 111.278 10.709 7.237 1.00 0.00 H new ATOM 0 HG23 THR A 81 109.907 10.841 8.364 1.00 0.00 H new ATOM 1287 N TRP A 82 112.225 7.596 6.436 1.00 0.00 N ATOM 1288 CA TRP A 82 113.271 6.726 5.829 1.00 0.00 C ATOM 1289 C TRP A 82 114.643 7.311 6.152 1.00 0.00 C ATOM 1290 O TRP A 82 114.831 8.512 6.155 1.00 0.00 O ATOM 1291 CB TRP A 82 113.103 6.669 4.308 1.00 0.00 C ATOM 1292 CG TRP A 82 111.661 6.508 3.965 1.00 0.00 C ATOM 1293 CD1 TRP A 82 110.764 7.515 3.915 1.00 0.00 C ATOM 1294 CD2 TRP A 82 110.938 5.295 3.617 1.00 0.00 C ATOM 1295 NE1 TRP A 82 109.531 6.999 3.570 1.00 0.00 N ATOM 1296 CE2 TRP A 82 109.587 5.631 3.371 1.00 0.00 C ATOM 1297 CE3 TRP A 82 111.322 3.948 3.495 1.00 0.00 C ATOM 1298 CZ2 TRP A 82 108.647 4.662 3.016 1.00 0.00 C ATOM 1299 CZ3 TRP A 82 110.382 2.970 3.137 1.00 0.00 C ATOM 1300 CH2 TRP A 82 109.046 3.326 2.898 1.00 0.00 C ATOM 0 H TRP A 82 112.022 8.453 5.921 1.00 0.00 H new ATOM 0 HA TRP A 82 113.177 5.719 6.234 1.00 0.00 H new ATOM 0 HB2 TRP A 82 113.494 7.580 3.855 1.00 0.00 H new ATOM 0 HB3 TRP A 82 113.678 5.838 3.900 1.00 0.00 H new ATOM 0 HD1 TRP A 82 110.976 8.555 4.113 1.00 0.00 H new ATOM 0 HE1 TRP A 82 108.683 7.558 3.474 1.00 0.00 H new ATOM 0 HE3 TRP A 82 112.348 3.664 3.678 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 107.620 4.941 2.834 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 110.688 1.938 3.045 1.00 0.00 H new ATOM 0 HH2 TRP A 82 108.326 2.569 2.623 1.00 0.00 H new ATOM 1311 N SER A 83 115.604 6.477 6.429 1.00 0.00 N ATOM 1312 CA SER A 83 116.961 6.994 6.755 1.00 0.00 C ATOM 1313 C SER A 83 117.994 6.098 6.085 1.00 0.00 C ATOM 1314 O SER A 83 117.721 4.964 5.771 1.00 0.00 O ATOM 1315 CB SER A 83 117.168 6.973 8.270 1.00 0.00 C ATOM 1316 OG SER A 83 118.489 6.536 8.558 1.00 0.00 O ATOM 0 H SER A 83 115.509 5.462 6.444 1.00 0.00 H new ATOM 0 HA SER A 83 117.067 8.018 6.397 1.00 0.00 H new ATOM 0 HB2 SER A 83 117.003 7.967 8.685 1.00 0.00 H new ATOM 0 HB3 SER A 83 116.442 6.308 8.738 1.00 0.00 H new ATOM 0 HG SER A 83 118.615 6.492 9.529 1.00 0.00 H new ATOM 1322 N LEU A 84 119.175 6.577 5.848 1.00 0.00 N ATOM 1323 CA LEU A 84 120.177 5.705 5.205 1.00 0.00 C ATOM 1324 C LEU A 84 121.023 5.057 6.305 1.00 0.00 C ATOM 1325 O LEU A 84 121.575 5.727 7.157 1.00 0.00 O ATOM 1326 CB LEU A 84 121.046 6.543 4.257 1.00 0.00 C ATOM 1327 CG LEU A 84 122.513 6.152 4.408 1.00 0.00 C ATOM 1328 CD1 LEU A 84 122.725 4.731 3.883 1.00 0.00 C ATOM 1329 CD2 LEU A 84 123.385 7.126 3.611 1.00 0.00 C ATOM 0 H LEU A 84 119.486 7.523 6.069 1.00 0.00 H new ATOM 0 HA LEU A 84 119.696 4.923 4.618 1.00 0.00 H new ATOM 0 HB2 LEU A 84 120.725 6.391 3.227 1.00 0.00 H new ATOM 0 HB3 LEU A 84 120.920 7.603 4.477 1.00 0.00 H new ATOM 0 HG LEU A 84 122.790 6.192 5.461 1.00 0.00 H new ATOM 0 HD11 LEU A 84 123.774 4.455 3.993 1.00 0.00 H new ATOM 0 HD12 LEU A 84 122.106 4.037 4.452 1.00 0.00 H new ATOM 0 HD13 LEU A 84 122.446 4.687 2.830 1.00 0.00 H new ATOM 0 HD21 LEU A 84 124.433 6.847 3.718 1.00 0.00 H new ATOM 0 HD22 LEU A 84 123.105 7.087 2.558 1.00 0.00 H new ATOM 0 HD23 LEU A 84 123.238 8.138 3.988 1.00 0.00 H new ATOM 1341 N GLU A 85 121.124 3.760 6.295 1.00 0.00 N ATOM 1342 CA GLU A 85 121.929 3.058 7.327 1.00 0.00 C ATOM 1343 C GLU A 85 122.883 2.100 6.625 1.00 0.00 C ATOM 1344 O GLU A 85 122.469 1.221 5.895 1.00 0.00 O ATOM 1345 CB GLU A 85 121.002 2.274 8.260 1.00 0.00 C ATOM 1346 CG GLU A 85 120.578 3.168 9.425 1.00 0.00 C ATOM 1347 CD GLU A 85 121.692 3.203 10.473 1.00 0.00 C ATOM 1348 OE1 GLU A 85 121.951 4.274 10.998 1.00 0.00 O ATOM 1349 OE2 GLU A 85 122.266 2.159 10.734 1.00 0.00 O ATOM 0 H GLU A 85 120.679 3.151 5.609 1.00 0.00 H new ATOM 0 HA GLU A 85 122.492 3.780 7.918 1.00 0.00 H new ATOM 0 HB2 GLU A 85 120.124 1.930 7.713 1.00 0.00 H new ATOM 0 HB3 GLU A 85 121.512 1.387 8.635 1.00 0.00 H new ATOM 0 HG2 GLU A 85 120.370 4.176 9.067 1.00 0.00 H new ATOM 0 HG3 GLU A 85 119.657 2.791 9.870 1.00 0.00 H new ATOM 1356 N GLY A 86 124.158 2.267 6.820 1.00 0.00 N ATOM 1357 CA GLY A 86 125.125 1.368 6.138 1.00 0.00 C ATOM 1358 C GLY A 86 124.988 1.561 4.628 1.00 0.00 C ATOM 1359 O GLY A 86 125.382 2.576 4.087 1.00 0.00 O ATOM 0 H GLY A 86 124.571 2.982 7.418 1.00 0.00 H new ATOM 0 HA2 GLY A 86 126.142 1.594 6.458 1.00 0.00 H new ATOM 0 HA3 GLY A 86 124.930 0.330 6.406 1.00 0.00 H new ATOM 1363 N ASN A 87 124.434 0.599 3.941 1.00 0.00 N ATOM 1364 CA ASN A 87 124.274 0.735 2.465 1.00 0.00 C ATOM 1365 C ASN A 87 122.811 0.525 2.061 1.00 0.00 C ATOM 1366 O ASN A 87 122.531 -0.012 1.008 1.00 0.00 O ATOM 1367 CB ASN A 87 125.150 -0.305 1.762 1.00 0.00 C ATOM 1368 CG ASN A 87 124.821 -1.698 2.300 1.00 0.00 C ATOM 1369 OD1 ASN A 87 125.567 -2.250 3.086 1.00 0.00 O ATOM 1370 ND2 ASN A 87 123.728 -2.294 1.910 1.00 0.00 N ATOM 0 H ASN A 87 124.086 -0.274 4.337 1.00 0.00 H new ATOM 0 HA ASN A 87 124.578 1.739 2.170 1.00 0.00 H new ATOM 0 HB2 ASN A 87 124.981 -0.270 0.686 1.00 0.00 H new ATOM 0 HB3 ASN A 87 126.204 -0.080 1.927 1.00 0.00 H new ATOM 0 HD21 ASN A 87 123.499 -3.223 2.264 1.00 0.00 H new ATOM 0 HD22 ASN A 87 123.102 -1.831 1.251 1.00 0.00 H new ATOM 1377 N LYS A 88 121.869 0.930 2.873 1.00 0.00 N ATOM 1378 CA LYS A 88 120.446 0.723 2.488 1.00 0.00 C ATOM 1379 C LYS A 88 119.580 1.871 3.009 1.00 0.00 C ATOM 1380 O LYS A 88 119.966 2.599 3.902 1.00 0.00 O ATOM 1381 CB LYS A 88 119.950 -0.598 3.080 1.00 0.00 C ATOM 1382 CG LYS A 88 119.961 -0.510 4.610 1.00 0.00 C ATOM 1383 CD LYS A 88 120.407 -1.850 5.200 1.00 0.00 C ATOM 1384 CE LYS A 88 121.931 -1.965 5.120 1.00 0.00 C ATOM 1385 NZ LYS A 88 122.313 -3.393 4.936 1.00 0.00 N ATOM 0 H LYS A 88 122.022 1.388 3.772 1.00 0.00 H new ATOM 0 HA LYS A 88 120.374 0.694 1.401 1.00 0.00 H new ATOM 0 HB2 LYS A 88 118.942 -0.812 2.725 1.00 0.00 H new ATOM 0 HB3 LYS A 88 120.586 -1.419 2.748 1.00 0.00 H new ATOM 0 HG2 LYS A 88 120.635 0.283 4.934 1.00 0.00 H new ATOM 0 HG3 LYS A 88 118.967 -0.253 4.976 1.00 0.00 H new ATOM 0 HD2 LYS A 88 120.080 -1.929 6.237 1.00 0.00 H new ATOM 0 HD3 LYS A 88 119.941 -2.671 4.656 1.00 0.00 H new ATOM 0 HE2 LYS A 88 122.308 -1.367 4.291 1.00 0.00 H new ATOM 0 HE3 LYS A 88 122.384 -1.571 6.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 123.349 -3.471 4.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 121.965 -3.952 5.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 121.892 -3.754 4.056 1.00 0.00 H new ATOM 1399 N LEU A 89 118.404 2.028 2.461 1.00 0.00 N ATOM 1400 CA LEU A 89 117.500 3.117 2.923 1.00 0.00 C ATOM 1401 C LEU A 89 116.450 2.512 3.853 1.00 0.00 C ATOM 1402 O LEU A 89 115.566 1.798 3.424 1.00 0.00 O ATOM 1403 CB LEU A 89 116.812 3.761 1.717 1.00 0.00 C ATOM 1404 CG LEU A 89 117.823 4.620 0.951 1.00 0.00 C ATOM 1405 CD1 LEU A 89 117.405 4.712 -0.518 1.00 0.00 C ATOM 1406 CD2 LEU A 89 117.863 6.024 1.558 1.00 0.00 C ATOM 0 H LEU A 89 118.031 1.446 1.711 1.00 0.00 H new ATOM 0 HA LEU A 89 118.072 3.880 3.451 1.00 0.00 H new ATOM 0 HB2 LEU A 89 116.404 2.990 1.063 1.00 0.00 H new ATOM 0 HB3 LEU A 89 115.974 4.375 2.048 1.00 0.00 H new ATOM 0 HG LEU A 89 118.811 4.166 1.020 1.00 0.00 H new ATOM 0 HD11 LEU A 89 118.124 5.323 -1.063 1.00 0.00 H new ATOM 0 HD12 LEU A 89 117.376 3.712 -0.951 1.00 0.00 H new ATOM 0 HD13 LEU A 89 116.417 5.166 -0.587 1.00 0.00 H new ATOM 0 HD21 LEU A 89 118.582 6.636 1.013 1.00 0.00 H new ATOM 0 HD22 LEU A 89 116.875 6.478 1.489 1.00 0.00 H new ATOM 0 HD23 LEU A 89 118.161 5.960 2.605 1.00 0.00 H new ATOM 1418 N ILE A 90 116.546 2.776 5.123 1.00 0.00 N ATOM 1419 CA ILE A 90 115.563 2.196 6.075 1.00 0.00 C ATOM 1420 C ILE A 90 114.230 2.930 5.977 1.00 0.00 C ATOM 1421 O ILE A 90 114.132 4.007 5.425 1.00 0.00 O ATOM 1422 CB ILE A 90 116.089 2.278 7.500 1.00 0.00 C ATOM 1423 CG1 ILE A 90 116.976 3.500 7.652 1.00 0.00 C ATOM 1424 CG2 ILE A 90 116.902 1.022 7.820 1.00 0.00 C ATOM 1425 CD1 ILE A 90 117.261 3.709 9.128 1.00 0.00 C ATOM 0 H ILE A 90 117.262 3.368 5.543 1.00 0.00 H new ATOM 0 HA ILE A 90 115.413 1.149 5.813 1.00 0.00 H new ATOM 0 HB ILE A 90 115.246 2.354 8.187 1.00 0.00 H new ATOM 0 HG12 ILE A 90 117.907 3.363 7.102 1.00 0.00 H new ATOM 0 HG13 ILE A 90 116.485 4.379 7.233 1.00 0.00 H new ATOM 0 HG21 ILE A 90 117.278 1.082 8.841 1.00 0.00 H new ATOM 0 HG22 ILE A 90 116.267 0.142 7.719 1.00 0.00 H new ATOM 0 HG23 ILE A 90 117.741 0.946 7.128 1.00 0.00 H new ATOM 0 HD11 ILE A 90 117.898 4.584 9.255 1.00 0.00 H new ATOM 0 HD12 ILE A 90 116.323 3.862 9.662 1.00 0.00 H new ATOM 0 HD13 ILE A 90 117.767 2.831 9.529 1.00 0.00 H new ATOM 1437 N GLY A 91 113.208 2.333 6.514 1.00 0.00 N ATOM 1438 CA GLY A 91 111.852 2.944 6.484 1.00 0.00 C ATOM 1439 C GLY A 91 111.117 2.550 7.763 1.00 0.00 C ATOM 1440 O GLY A 91 110.520 1.496 7.850 1.00 0.00 O ATOM 0 H GLY A 91 113.255 1.428 6.983 1.00 0.00 H new ATOM 0 HA2 GLY A 91 111.927 4.029 6.408 1.00 0.00 H new ATOM 0 HA3 GLY A 91 111.301 2.601 5.609 1.00 0.00 H new ATOM 1444 N LYS A 92 111.166 3.380 8.757 1.00 0.00 N ATOM 1445 CA LYS A 92 110.481 3.046 10.033 1.00 0.00 C ATOM 1446 C LYS A 92 109.040 3.542 9.971 1.00 0.00 C ATOM 1447 O LYS A 92 108.781 4.716 10.114 1.00 0.00 O ATOM 1448 CB LYS A 92 111.210 3.726 11.200 1.00 0.00 C ATOM 1449 CG LYS A 92 112.074 2.699 11.941 1.00 0.00 C ATOM 1450 CD LYS A 92 112.624 3.323 13.226 1.00 0.00 C ATOM 1451 CE LYS A 92 113.898 4.110 12.912 1.00 0.00 C ATOM 1452 NZ LYS A 92 115.081 3.215 13.052 1.00 0.00 N ATOM 0 H LYS A 92 111.651 4.277 8.745 1.00 0.00 H new ATOM 0 HA LYS A 92 110.491 1.967 10.184 1.00 0.00 H new ATOM 0 HB2 LYS A 92 111.834 4.538 10.827 1.00 0.00 H new ATOM 0 HB3 LYS A 92 110.486 4.168 11.885 1.00 0.00 H new ATOM 0 HG2 LYS A 92 111.483 1.815 12.178 1.00 0.00 H new ATOM 0 HG3 LYS A 92 112.895 2.372 11.303 1.00 0.00 H new ATOM 0 HD2 LYS A 92 111.878 3.982 13.670 1.00 0.00 H new ATOM 0 HD3 LYS A 92 112.837 2.544 13.958 1.00 0.00 H new ATOM 0 HE2 LYS A 92 113.850 4.512 11.900 1.00 0.00 H new ATOM 0 HE3 LYS A 92 113.989 4.960 13.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 115.948 3.749 12.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 115.129 2.852 14.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 114.994 2.418 12.390 1.00 0.00 H new ATOM 1466 N PHE A 93 108.106 2.658 9.754 1.00 0.00 N ATOM 1467 CA PHE A 93 106.677 3.076 9.678 1.00 0.00 C ATOM 1468 C PHE A 93 105.892 2.438 10.816 1.00 0.00 C ATOM 1469 O PHE A 93 105.952 1.247 11.046 1.00 0.00 O ATOM 1470 CB PHE A 93 106.083 2.636 8.334 1.00 0.00 C ATOM 1471 CG PHE A 93 106.332 3.683 7.266 1.00 0.00 C ATOM 1472 CD1 PHE A 93 107.007 4.875 7.570 1.00 0.00 C ATOM 1473 CD2 PHE A 93 105.884 3.454 5.958 1.00 0.00 C ATOM 1474 CE1 PHE A 93 107.230 5.830 6.572 1.00 0.00 C ATOM 1475 CE2 PHE A 93 106.108 4.410 4.961 1.00 0.00 C ATOM 1476 CZ PHE A 93 106.781 5.599 5.268 1.00 0.00 C ATOM 0 H PHE A 93 108.271 1.660 9.625 1.00 0.00 H new ATOM 0 HA PHE A 93 106.616 4.161 9.764 1.00 0.00 H new ATOM 0 HB2 PHE A 93 106.525 1.687 8.029 1.00 0.00 H new ATOM 0 HB3 PHE A 93 105.011 2.468 8.442 1.00 0.00 H new ATOM 0 HD1 PHE A 93 107.355 5.056 8.576 1.00 0.00 H new ATOM 0 HD2 PHE A 93 105.365 2.538 5.719 1.00 0.00 H new ATOM 0 HE1 PHE A 93 107.750 6.747 6.809 1.00 0.00 H new ATOM 0 HE2 PHE A 93 105.762 4.231 3.954 1.00 0.00 H new ATOM 0 HZ PHE A 93 106.953 6.337 4.498 1.00 0.00 H new ATOM 1486 N LYS A 94 105.150 3.236 11.526 1.00 0.00 N ATOM 1487 CA LYS A 94 104.342 2.704 12.655 1.00 0.00 C ATOM 1488 C LYS A 94 102.858 2.833 12.319 1.00 0.00 C ATOM 1489 O LYS A 94 102.348 3.918 12.128 1.00 0.00 O ATOM 1490 CB LYS A 94 104.647 3.497 13.926 1.00 0.00 C ATOM 1491 CG LYS A 94 105.972 3.018 14.521 1.00 0.00 C ATOM 1492 CD LYS A 94 106.284 3.818 15.789 1.00 0.00 C ATOM 1493 CE LYS A 94 107.027 5.103 15.414 1.00 0.00 C ATOM 1494 NZ LYS A 94 107.170 5.964 16.622 1.00 0.00 N ATOM 0 H LYS A 94 105.068 4.241 11.372 1.00 0.00 H new ATOM 0 HA LYS A 94 104.592 1.655 12.817 1.00 0.00 H new ATOM 0 HB2 LYS A 94 104.702 4.562 13.699 1.00 0.00 H new ATOM 0 HB3 LYS A 94 103.843 3.367 14.650 1.00 0.00 H new ATOM 0 HG2 LYS A 94 105.914 1.955 14.754 1.00 0.00 H new ATOM 0 HG3 LYS A 94 106.775 3.142 13.794 1.00 0.00 H new ATOM 0 HD2 LYS A 94 105.361 4.060 16.315 1.00 0.00 H new ATOM 0 HD3 LYS A 94 106.891 3.220 16.469 1.00 0.00 H new ATOM 0 HE2 LYS A 94 108.009 4.862 15.007 1.00 0.00 H new ATOM 0 HE3 LYS A 94 106.482 5.637 14.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 107.675 6.837 16.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 106.228 6.204 16.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 107.708 5.453 17.351 1.00 0.00 H new ATOM 1508 N ARG A 95 102.162 1.731 12.244 1.00 0.00 N ATOM 1509 CA ARG A 95 100.711 1.790 11.918 1.00 0.00 C ATOM 1510 C ARG A 95 100.023 2.791 12.844 1.00 0.00 C ATOM 1511 O ARG A 95 99.955 2.600 14.042 1.00 0.00 O ATOM 1512 CB ARG A 95 100.087 0.405 12.108 1.00 0.00 C ATOM 1513 CG ARG A 95 100.394 -0.467 10.888 1.00 0.00 C ATOM 1514 CD ARG A 95 99.587 -1.763 10.972 1.00 0.00 C ATOM 1515 NE ARG A 95 98.150 -1.472 10.702 1.00 0.00 N ATOM 1516 CZ ARG A 95 97.325 -2.447 10.437 1.00 0.00 C ATOM 1517 NH1 ARG A 95 96.066 -2.192 10.200 1.00 0.00 N ATOM 1518 NH2 ARG A 95 97.757 -3.678 10.408 1.00 0.00 N ATOM 0 H ARG A 95 102.536 0.794 12.394 1.00 0.00 H new ATOM 0 HA ARG A 95 100.584 2.105 10.882 1.00 0.00 H new ATOM 0 HB2 ARG A 95 100.481 -0.062 13.010 1.00 0.00 H new ATOM 0 HB3 ARG A 95 99.009 0.496 12.241 1.00 0.00 H new ATOM 0 HG2 ARG A 95 100.146 0.070 9.972 1.00 0.00 H new ATOM 0 HG3 ARG A 95 101.460 -0.692 10.847 1.00 0.00 H new ATOM 0 HD2 ARG A 95 99.965 -2.487 10.249 1.00 0.00 H new ATOM 0 HD3 ARG A 95 99.699 -2.210 11.960 1.00 0.00 H new ATOM 0 HE ARG A 95 97.812 -0.510 10.725 1.00 0.00 H new ATOM 0 HH11 ARG A 95 95.728 -1.230 10.222 1.00 0.00 H new ATOM 0 HH12 ARG A 95 95.421 -2.955 9.993 1.00 0.00 H new ATOM 0 HH21 ARG A 95 98.740 -3.878 10.593 1.00 0.00 H new ATOM 0 HH22 ARG A 95 97.112 -4.440 10.201 1.00 0.00 H new ATOM 1532 N THR A 96 99.512 3.858 12.298 1.00 0.00 N ATOM 1533 CA THR A 96 98.829 4.873 13.143 1.00 0.00 C ATOM 1534 C THR A 96 97.394 4.442 13.373 1.00 0.00 C ATOM 1535 O THR A 96 96.676 4.976 14.195 1.00 0.00 O ATOM 1536 CB THR A 96 98.851 6.220 12.424 1.00 0.00 C ATOM 1537 OG1 THR A 96 99.167 6.014 11.054 1.00 0.00 O ATOM 1538 CG2 THR A 96 99.903 7.126 13.057 1.00 0.00 C ATOM 0 H THR A 96 99.538 4.071 11.301 1.00 0.00 H new ATOM 0 HA THR A 96 99.340 4.965 14.102 1.00 0.00 H new ATOM 0 HB THR A 96 97.872 6.692 12.510 1.00 0.00 H new ATOM 0 HG1 THR A 96 99.772 6.721 10.748 1.00 0.00 H new ATOM 0 HG21 THR A 96 99.915 8.086 12.541 1.00 0.00 H new ATOM 0 HG22 THR A 96 99.663 7.283 14.109 1.00 0.00 H new ATOM 0 HG23 THR A 96 100.884 6.658 12.975 1.00 0.00 H new ATOM 1546 N ASP A 97 96.997 3.473 12.639 1.00 0.00 N ATOM 1547 CA ASP A 97 95.612 2.941 12.753 1.00 0.00 C ATOM 1548 C ASP A 97 95.578 1.814 13.789 1.00 0.00 C ATOM 1549 O ASP A 97 94.548 1.517 14.360 1.00 0.00 O ATOM 1550 CB ASP A 97 95.159 2.400 11.396 1.00 0.00 C ATOM 1551 CG ASP A 97 93.722 1.888 11.502 1.00 0.00 C ATOM 1552 OD1 ASP A 97 93.549 0.735 11.861 1.00 0.00 O ATOM 1553 OD2 ASP A 97 92.818 2.658 11.221 1.00 0.00 O ATOM 0 H ASP A 97 97.577 3.005 11.943 1.00 0.00 H new ATOM 0 HA ASP A 97 94.942 3.742 13.067 1.00 0.00 H new ATOM 0 HB2 ASP A 97 95.222 3.184 10.641 1.00 0.00 H new ATOM 0 HB3 ASP A 97 95.820 1.595 11.075 1.00 0.00 H new ATOM 1558 N ASN A 98 96.697 1.186 14.037 1.00 0.00 N ATOM 1559 CA ASN A 98 96.727 0.082 15.034 1.00 0.00 C ATOM 1560 C ASN A 98 97.907 0.292 15.982 1.00 0.00 C ATOM 1561 O ASN A 98 98.129 -0.480 16.894 1.00 0.00 O ATOM 1562 CB ASN A 98 96.881 -1.258 14.312 1.00 0.00 C ATOM 1563 CG ASN A 98 95.502 -1.782 13.906 1.00 0.00 C ATOM 1564 OD1 ASN A 98 94.829 -1.186 13.088 1.00 0.00 O ATOM 1565 ND2 ASN A 98 95.050 -2.880 14.448 1.00 0.00 N ATOM 0 H ASN A 98 97.591 1.392 13.591 1.00 0.00 H new ATOM 0 HA ASN A 98 95.797 0.078 15.603 1.00 0.00 H new ATOM 0 HB2 ASN A 98 97.510 -1.137 13.430 1.00 0.00 H new ATOM 0 HB3 ASN A 98 97.378 -1.978 14.962 1.00 0.00 H new ATOM 0 HD21 ASN A 98 94.132 -3.238 14.185 1.00 0.00 H new ATOM 0 HD22 ASN A 98 95.615 -3.380 15.134 1.00 0.00 H new ATOM 1572 N GLY A 99 98.668 1.330 15.773 1.00 0.00 N ATOM 1573 CA GLY A 99 99.834 1.589 16.661 1.00 0.00 C ATOM 1574 C GLY A 99 100.729 0.350 16.698 1.00 0.00 C ATOM 1575 O GLY A 99 101.199 -0.056 17.742 1.00 0.00 O ATOM 0 H GLY A 99 98.532 2.010 15.025 1.00 0.00 H new ATOM 0 HA2 GLY A 99 100.398 2.448 16.298 1.00 0.00 H new ATOM 0 HA3 GLY A 99 99.492 1.834 17.666 1.00 0.00 H new ATOM 1579 N ASN A 100 100.970 -0.255 15.567 1.00 0.00 N ATOM 1580 CA ASN A 100 101.831 -1.458 15.537 1.00 0.00 C ATOM 1581 C ASN A 100 103.265 -1.040 15.273 1.00 0.00 C ATOM 1582 O ASN A 100 103.850 -0.254 15.992 1.00 0.00 O ATOM 1583 CB ASN A 100 101.359 -2.393 14.421 1.00 0.00 C ATOM 1584 CG ASN A 100 102.030 -3.758 14.585 1.00 0.00 C ATOM 1585 OD1 ASN A 100 103.137 -3.962 14.130 1.00 0.00 O ATOM 1586 ND2 ASN A 100 101.401 -4.708 15.222 1.00 0.00 N ATOM 0 H ASN A 100 100.603 0.038 14.661 1.00 0.00 H new ATOM 0 HA ASN A 100 101.771 -1.976 16.494 1.00 0.00 H new ATOM 0 HB2 ASN A 100 100.275 -2.502 14.456 1.00 0.00 H new ATOM 0 HB3 ASN A 100 101.605 -1.969 13.448 1.00 0.00 H new ATOM 0 HD21 ASN A 100 101.840 -5.622 15.337 1.00 0.00 H new ATOM 0 HD22 ASN A 100 100.471 -4.537 15.604 1.00 0.00 H new ATOM 1593 N GLU A 101 103.825 -1.570 14.244 1.00 0.00 N ATOM 1594 CA GLU A 101 105.232 -1.234 13.895 1.00 0.00 C ATOM 1595 C GLU A 101 105.621 -1.892 12.566 1.00 0.00 C ATOM 1596 O GLU A 101 105.303 -3.036 12.310 1.00 0.00 O ATOM 1597 CB GLU A 101 106.152 -1.737 15.009 1.00 0.00 C ATOM 1598 CG GLU A 101 106.568 -3.184 14.732 1.00 0.00 C ATOM 1599 CD GLU A 101 107.166 -3.797 15.999 1.00 0.00 C ATOM 1600 OE1 GLU A 101 108.351 -3.609 16.221 1.00 0.00 O ATOM 1601 OE2 GLU A 101 106.429 -4.441 16.727 1.00 0.00 O ATOM 0 H GLU A 101 103.371 -2.232 13.614 1.00 0.00 H new ATOM 0 HA GLU A 101 105.331 -0.154 13.790 1.00 0.00 H new ATOM 0 HB2 GLU A 101 107.036 -1.103 15.076 1.00 0.00 H new ATOM 0 HB3 GLU A 101 105.641 -1.675 15.970 1.00 0.00 H new ATOM 0 HG2 GLU A 101 105.705 -3.765 14.407 1.00 0.00 H new ATOM 0 HG3 GLU A 101 107.297 -3.215 13.922 1.00 0.00 H new ATOM 1608 N LEU A 102 106.322 -1.179 11.728 1.00 0.00 N ATOM 1609 CA LEU A 102 106.755 -1.752 10.426 1.00 0.00 C ATOM 1610 C LEU A 102 108.216 -1.372 10.190 1.00 0.00 C ATOM 1611 O LEU A 102 108.536 -0.222 9.962 1.00 0.00 O ATOM 1612 CB LEU A 102 105.890 -1.189 9.293 1.00 0.00 C ATOM 1613 CG LEU A 102 106.329 -1.795 7.954 1.00 0.00 C ATOM 1614 CD1 LEU A 102 105.686 -3.169 7.770 1.00 0.00 C ATOM 1615 CD2 LEU A 102 105.895 -0.877 6.809 1.00 0.00 C ATOM 0 H LEU A 102 106.615 -0.216 11.893 1.00 0.00 H new ATOM 0 HA LEU A 102 106.646 -2.836 10.446 1.00 0.00 H new ATOM 0 HB2 LEU A 102 104.840 -1.415 9.478 1.00 0.00 H new ATOM 0 HB3 LEU A 102 105.981 -0.103 9.259 1.00 0.00 H new ATOM 0 HG LEU A 102 107.414 -1.900 7.949 1.00 0.00 H new ATOM 0 HD11 LEU A 102 106.002 -3.594 6.817 1.00 0.00 H new ATOM 0 HD12 LEU A 102 105.996 -3.827 8.581 1.00 0.00 H new ATOM 0 HD13 LEU A 102 104.601 -3.067 7.780 1.00 0.00 H new ATOM 0 HD21 LEU A 102 106.208 -1.309 5.858 1.00 0.00 H new ATOM 0 HD22 LEU A 102 104.810 -0.770 6.820 1.00 0.00 H new ATOM 0 HD23 LEU A 102 106.358 0.102 6.932 1.00 0.00 H new ATOM 1627 N ASN A 103 109.107 -2.326 10.231 1.00 0.00 N ATOM 1628 CA ASN A 103 110.543 -2.004 9.997 1.00 0.00 C ATOM 1629 C ASN A 103 110.911 -2.478 8.595 1.00 0.00 C ATOM 1630 O ASN A 103 110.978 -3.660 8.332 1.00 0.00 O ATOM 1631 CB ASN A 103 111.410 -2.714 11.043 1.00 0.00 C ATOM 1632 CG ASN A 103 112.818 -2.938 10.486 1.00 0.00 C ATOM 1633 OD1 ASN A 103 113.376 -2.005 9.763 1.00 0.00 O flip ATOM 1634 ND2 ASN A 103 113.416 -3.971 10.710 1.00 0.00 N flip ATOM 0 H ASN A 103 108.904 -3.308 10.415 1.00 0.00 H new ATOM 0 HA ASN A 103 110.713 -0.931 10.084 1.00 0.00 H new ATOM 0 HB2 ASN A 103 111.460 -2.116 11.953 1.00 0.00 H new ATOM 0 HB3 ASN A 103 110.960 -3.669 11.313 1.00 0.00 H new ATOM 0 HD21 ASN A 103 112.981 -4.700 11.275 1.00 0.00 H new ATOM 0 HD22 ASN A 103 114.354 -4.109 10.333 1.00 0.00 H new ATOM 1641 N THR A 104 111.109 -1.569 7.679 1.00 0.00 N ATOM 1642 CA THR A 104 111.416 -1.985 6.286 1.00 0.00 C ATOM 1643 C THR A 104 112.745 -1.417 5.797 1.00 0.00 C ATOM 1644 O THR A 104 113.405 -0.648 6.467 1.00 0.00 O ATOM 1645 CB THR A 104 110.302 -1.470 5.378 1.00 0.00 C ATOM 1646 OG1 THR A 104 110.660 -1.677 4.019 1.00 0.00 O ATOM 1647 CG2 THR A 104 110.099 0.025 5.635 1.00 0.00 C ATOM 0 H THR A 104 111.071 -0.562 7.836 1.00 0.00 H new ATOM 0 HA THR A 104 111.488 -3.072 6.262 1.00 0.00 H new ATOM 0 HB THR A 104 109.378 -2.008 5.589 1.00 0.00 H new ATOM 0 HG1 THR A 104 110.865 -2.624 3.875 1.00 0.00 H new ATOM 0 HG21 THR A 104 109.305 0.400 4.990 1.00 0.00 H new ATOM 0 HG22 THR A 104 109.824 0.181 6.678 1.00 0.00 H new ATOM 0 HG23 THR A 104 111.024 0.560 5.420 1.00 0.00 H new ATOM 1655 N VAL A 105 113.124 -1.802 4.607 1.00 0.00 N ATOM 1656 CA VAL A 105 114.393 -1.310 4.006 1.00 0.00 C ATOM 1657 C VAL A 105 114.192 -1.175 2.494 1.00 0.00 C ATOM 1658 O VAL A 105 113.447 -1.923 1.895 1.00 0.00 O ATOM 1659 CB VAL A 105 115.515 -2.310 4.289 1.00 0.00 C ATOM 1660 CG1 VAL A 105 116.842 -1.744 3.780 1.00 0.00 C ATOM 1661 CG2 VAL A 105 115.612 -2.554 5.797 1.00 0.00 C ATOM 0 H VAL A 105 112.597 -2.447 4.019 1.00 0.00 H new ATOM 0 HA VAL A 105 114.663 -0.345 4.435 1.00 0.00 H new ATOM 0 HB VAL A 105 115.301 -3.250 3.781 1.00 0.00 H new ATOM 0 HG11 VAL A 105 117.642 -2.456 3.981 1.00 0.00 H new ATOM 0 HG12 VAL A 105 116.775 -1.568 2.706 1.00 0.00 H new ATOM 0 HG13 VAL A 105 117.056 -0.804 4.289 1.00 0.00 H new ATOM 0 HG21 VAL A 105 116.411 -3.267 6.000 1.00 0.00 H new ATOM 0 HG22 VAL A 105 115.827 -1.614 6.305 1.00 0.00 H new ATOM 0 HG23 VAL A 105 114.667 -2.956 6.162 1.00 0.00 H new ATOM 1671 N ARG A 106 114.837 -0.224 1.871 1.00 0.00 N ATOM 1672 CA ARG A 106 114.659 -0.050 0.399 1.00 0.00 C ATOM 1673 C ARG A 106 116.013 -0.123 -0.309 1.00 0.00 C ATOM 1674 O ARG A 106 116.973 0.503 0.093 1.00 0.00 O ATOM 1675 CB ARG A 106 114.014 1.312 0.124 1.00 0.00 C ATOM 1676 CG ARG A 106 112.492 1.192 0.223 1.00 0.00 C ATOM 1677 CD ARG A 106 111.844 2.477 -0.295 1.00 0.00 C ATOM 1678 NE ARG A 106 112.198 3.609 0.605 1.00 0.00 N ATOM 1679 CZ ARG A 106 112.233 4.828 0.140 1.00 0.00 C ATOM 1680 NH1 ARG A 106 112.545 5.819 0.929 1.00 0.00 N ATOM 1681 NH2 ARG A 106 111.953 5.058 -1.115 1.00 0.00 N ATOM 0 H ARG A 106 115.476 0.436 2.314 1.00 0.00 H new ATOM 0 HA ARG A 106 114.018 -0.847 0.021 1.00 0.00 H new ATOM 0 HB2 ARG A 106 114.378 2.049 0.841 1.00 0.00 H new ATOM 0 HB3 ARG A 106 114.297 1.665 -0.868 1.00 0.00 H new ATOM 0 HG2 ARG A 106 112.145 0.338 -0.358 1.00 0.00 H new ATOM 0 HG3 ARG A 106 112.197 1.015 1.257 1.00 0.00 H new ATOM 0 HD2 ARG A 106 112.184 2.685 -1.310 1.00 0.00 H new ATOM 0 HD3 ARG A 106 110.761 2.359 -0.340 1.00 0.00 H new ATOM 0 HE ARG A 106 112.413 3.432 1.586 1.00 0.00 H new ATOM 0 HH11 ARG A 106 112.762 5.641 1.910 1.00 0.00 H new ATOM 0 HH12 ARG A 106 112.572 6.771 0.565 1.00 0.00 H new ATOM 0 HH21 ARG A 106 111.707 4.285 -1.733 1.00 0.00 H new ATOM 0 HH22 ARG A 106 111.981 6.011 -1.477 1.00 0.00 H new ATOM 1695 N GLU A 107 116.088 -0.882 -1.369 1.00 0.00 N ATOM 1696 CA GLU A 107 117.367 -1.002 -2.125 1.00 0.00 C ATOM 1697 C GLU A 107 117.075 -0.804 -3.613 1.00 0.00 C ATOM 1698 O GLU A 107 115.958 -0.973 -4.056 1.00 0.00 O ATOM 1699 CB GLU A 107 117.971 -2.389 -1.897 1.00 0.00 C ATOM 1700 CG GLU A 107 118.874 -2.355 -0.662 1.00 0.00 C ATOM 1701 CD GLU A 107 120.283 -1.921 -1.069 1.00 0.00 C ATOM 1702 OE1 GLU A 107 121.225 -2.583 -0.665 1.00 0.00 O ATOM 1703 OE2 GLU A 107 120.396 -0.936 -1.779 1.00 0.00 O ATOM 0 H GLU A 107 115.313 -1.427 -1.746 1.00 0.00 H new ATOM 0 HA GLU A 107 118.075 -0.248 -1.782 1.00 0.00 H new ATOM 0 HB2 GLU A 107 117.178 -3.125 -1.761 1.00 0.00 H new ATOM 0 HB3 GLU A 107 118.544 -2.696 -2.772 1.00 0.00 H new ATOM 0 HG2 GLU A 107 118.469 -1.665 0.078 1.00 0.00 H new ATOM 0 HG3 GLU A 107 118.906 -3.340 -0.195 1.00 0.00 H new ATOM 1710 N ILE A 108 118.063 -0.449 -4.390 1.00 0.00 N ATOM 1711 CA ILE A 108 117.834 -0.244 -5.834 1.00 0.00 C ATOM 1712 C ILE A 108 118.799 -1.130 -6.604 1.00 0.00 C ATOM 1713 O ILE A 108 119.848 -0.700 -7.040 1.00 0.00 O ATOM 1714 CB ILE A 108 118.096 1.215 -6.177 1.00 0.00 C ATOM 1715 CG1 ILE A 108 117.363 2.113 -5.165 1.00 0.00 C ATOM 1716 CG2 ILE A 108 117.596 1.479 -7.592 1.00 0.00 C ATOM 1717 CD1 ILE A 108 116.638 3.249 -5.888 1.00 0.00 C ATOM 0 H ILE A 108 119.021 -0.293 -4.077 1.00 0.00 H new ATOM 0 HA ILE A 108 116.807 -0.497 -6.097 1.00 0.00 H new ATOM 0 HB ILE A 108 119.162 1.436 -6.127 1.00 0.00 H new ATOM 0 HG12 ILE A 108 116.647 1.521 -4.595 1.00 0.00 H new ATOM 0 HG13 ILE A 108 118.076 2.525 -4.451 1.00 0.00 H new ATOM 0 HG21 ILE A 108 117.777 2.522 -7.853 1.00 0.00 H new ATOM 0 HG22 ILE A 108 118.126 0.833 -8.292 1.00 0.00 H new ATOM 0 HG23 ILE A 108 116.527 1.272 -7.645 1.00 0.00 H new ATOM 0 HD11 ILE A 108 116.124 3.875 -5.159 1.00 0.00 H new ATOM 0 HD12 ILE A 108 117.362 3.851 -6.437 1.00 0.00 H new ATOM 0 HD13 ILE A 108 115.910 2.832 -6.584 1.00 0.00 H new ATOM 1729 N ILE A 109 118.455 -2.368 -6.765 1.00 0.00 N ATOM 1730 CA ILE A 109 119.356 -3.289 -7.499 1.00 0.00 C ATOM 1731 C ILE A 109 119.471 -2.820 -8.946 1.00 0.00 C ATOM 1732 O ILE A 109 118.692 -3.194 -9.800 1.00 0.00 O ATOM 1733 CB ILE A 109 118.787 -4.710 -7.454 1.00 0.00 C ATOM 1734 CG1 ILE A 109 119.108 -5.338 -6.094 1.00 0.00 C ATOM 1735 CG2 ILE A 109 119.417 -5.555 -8.565 1.00 0.00 C ATOM 1736 CD1 ILE A 109 118.385 -6.681 -5.965 1.00 0.00 C ATOM 0 H ILE A 109 117.590 -2.784 -6.421 1.00 0.00 H new ATOM 0 HA ILE A 109 120.343 -3.290 -7.036 1.00 0.00 H new ATOM 0 HB ILE A 109 117.707 -4.673 -7.599 1.00 0.00 H new ATOM 0 HG12 ILE A 109 120.184 -5.482 -5.993 1.00 0.00 H new ATOM 0 HG13 ILE A 109 118.799 -4.669 -5.291 1.00 0.00 H new ATOM 0 HG21 ILE A 109 119.009 -6.565 -8.529 1.00 0.00 H new ATOM 0 HG22 ILE A 109 119.194 -5.108 -9.534 1.00 0.00 H new ATOM 0 HG23 ILE A 109 120.497 -5.594 -8.424 1.00 0.00 H new ATOM 0 HD11 ILE A 109 118.615 -7.126 -4.997 1.00 0.00 H new ATOM 0 HD12 ILE A 109 117.309 -6.524 -6.047 1.00 0.00 H new ATOM 0 HD13 ILE A 109 118.716 -7.350 -6.760 1.00 0.00 H new ATOM 1748 N GLY A 110 120.447 -2.007 -9.224 1.00 0.00 N ATOM 1749 CA GLY A 110 120.636 -1.507 -10.616 1.00 0.00 C ATOM 1750 C GLY A 110 119.334 -0.896 -11.141 1.00 0.00 C ATOM 1751 O GLY A 110 119.153 0.306 -11.127 1.00 0.00 O ATOM 0 H GLY A 110 121.127 -1.664 -8.546 1.00 0.00 H new ATOM 0 HA2 GLY A 110 121.431 -0.761 -10.637 1.00 0.00 H new ATOM 0 HA3 GLY A 110 120.949 -2.325 -11.264 1.00 0.00 H new ATOM 1755 N ASP A 111 118.428 -1.712 -11.618 1.00 0.00 N ATOM 1756 CA ASP A 111 117.145 -1.176 -12.158 1.00 0.00 C ATOM 1757 C ASP A 111 115.959 -1.841 -11.458 1.00 0.00 C ATOM 1758 O ASP A 111 114.896 -1.992 -12.026 1.00 0.00 O ATOM 1759 CB ASP A 111 117.071 -1.451 -13.662 1.00 0.00 C ATOM 1760 CG ASP A 111 118.429 -1.161 -14.303 1.00 0.00 C ATOM 1761 OD1 ASP A 111 119.374 -1.862 -13.982 1.00 0.00 O ATOM 1762 OD2 ASP A 111 118.499 -0.242 -15.103 1.00 0.00 O ATOM 0 H ASP A 111 118.523 -2.727 -11.656 1.00 0.00 H new ATOM 0 HA ASP A 111 117.105 -0.102 -11.978 1.00 0.00 H new ATOM 0 HB2 ASP A 111 116.788 -2.489 -13.839 1.00 0.00 H new ATOM 0 HB3 ASP A 111 116.301 -0.828 -14.119 1.00 0.00 H new ATOM 1767 N GLU A 112 116.132 -2.238 -10.230 1.00 0.00 N ATOM 1768 CA GLU A 112 115.015 -2.889 -9.492 1.00 0.00 C ATOM 1769 C GLU A 112 114.957 -2.327 -8.071 1.00 0.00 C ATOM 1770 O GLU A 112 115.973 -2.139 -7.432 1.00 0.00 O ATOM 1771 CB GLU A 112 115.252 -4.399 -9.436 1.00 0.00 C ATOM 1772 CG GLU A 112 114.731 -5.048 -10.719 1.00 0.00 C ATOM 1773 CD GLU A 112 114.873 -6.568 -10.619 1.00 0.00 C ATOM 1774 OE1 GLU A 112 115.992 -7.030 -10.466 1.00 0.00 O ATOM 1775 OE2 GLU A 112 113.861 -7.244 -10.698 1.00 0.00 O ATOM 0 H GLU A 112 117.000 -2.140 -9.704 1.00 0.00 H new ATOM 0 HA GLU A 112 114.073 -2.691 -10.003 1.00 0.00 H new ATOM 0 HB2 GLU A 112 116.316 -4.606 -9.318 1.00 0.00 H new ATOM 0 HB3 GLU A 112 114.746 -4.825 -8.570 1.00 0.00 H new ATOM 0 HG2 GLU A 112 113.686 -4.780 -10.876 1.00 0.00 H new ATOM 0 HG3 GLU A 112 115.288 -4.676 -11.579 1.00 0.00 H new ATOM 1782 N LEU A 113 113.781 -2.059 -7.563 1.00 0.00 N ATOM 1783 CA LEU A 113 113.689 -1.510 -6.176 1.00 0.00 C ATOM 1784 C LEU A 113 113.253 -2.611 -5.221 1.00 0.00 C ATOM 1785 O LEU A 113 112.132 -3.072 -5.265 1.00 0.00 O ATOM 1786 CB LEU A 113 112.667 -0.376 -6.121 1.00 0.00 C ATOM 1787 CG LEU A 113 112.881 0.449 -4.851 1.00 0.00 C ATOM 1788 CD1 LEU A 113 113.963 1.499 -5.100 1.00 0.00 C ATOM 1789 CD2 LEU A 113 111.574 1.148 -4.473 1.00 0.00 C ATOM 0 H LEU A 113 112.890 -2.194 -8.041 1.00 0.00 H new ATOM 0 HA LEU A 113 114.668 -1.128 -5.887 1.00 0.00 H new ATOM 0 HB2 LEU A 113 112.767 0.260 -7.001 1.00 0.00 H new ATOM 0 HB3 LEU A 113 111.656 -0.783 -6.136 1.00 0.00 H new ATOM 0 HG LEU A 113 113.192 -0.209 -4.039 1.00 0.00 H new ATOM 0 HD11 LEU A 113 114.115 2.087 -4.195 1.00 0.00 H new ATOM 0 HD12 LEU A 113 114.895 1.004 -5.372 1.00 0.00 H new ATOM 0 HD13 LEU A 113 113.652 2.157 -5.911 1.00 0.00 H new ATOM 0 HD21 LEU A 113 111.725 1.736 -3.568 1.00 0.00 H new ATOM 0 HD22 LEU A 113 111.265 1.805 -5.286 1.00 0.00 H new ATOM 0 HD23 LEU A 113 110.800 0.401 -4.296 1.00 0.00 H new ATOM 1801 N VAL A 114 114.121 -3.028 -4.347 1.00 0.00 N ATOM 1802 CA VAL A 114 113.734 -4.095 -3.389 1.00 0.00 C ATOM 1803 C VAL A 114 113.283 -3.451 -2.082 1.00 0.00 C ATOM 1804 O VAL A 114 114.075 -2.901 -1.344 1.00 0.00 O ATOM 1805 CB VAL A 114 114.929 -5.012 -3.125 1.00 0.00 C ATOM 1806 CG1 VAL A 114 114.444 -6.322 -2.503 1.00 0.00 C ATOM 1807 CG2 VAL A 114 115.645 -5.309 -4.445 1.00 0.00 C ATOM 0 H VAL A 114 115.075 -2.679 -4.254 1.00 0.00 H new ATOM 0 HA VAL A 114 112.920 -4.685 -3.809 1.00 0.00 H new ATOM 0 HB VAL A 114 115.618 -4.519 -2.439 1.00 0.00 H new ATOM 0 HG11 VAL A 114 115.297 -6.974 -2.316 1.00 0.00 H new ATOM 0 HG12 VAL A 114 113.935 -6.112 -1.562 1.00 0.00 H new ATOM 0 HG13 VAL A 114 113.753 -6.816 -3.187 1.00 0.00 H new ATOM 0 HG21 VAL A 114 116.497 -5.963 -4.258 1.00 0.00 H new ATOM 0 HG22 VAL A 114 114.955 -5.800 -5.131 1.00 0.00 H new ATOM 0 HG23 VAL A 114 115.994 -4.376 -4.888 1.00 0.00 H new ATOM 1817 N GLN A 115 112.014 -3.516 -1.787 1.00 0.00 N ATOM 1818 CA GLN A 115 111.513 -2.906 -0.526 1.00 0.00 C ATOM 1819 C GLN A 115 111.053 -4.022 0.407 1.00 0.00 C ATOM 1820 O GLN A 115 110.004 -4.605 0.221 1.00 0.00 O ATOM 1821 CB GLN A 115 110.334 -1.981 -0.835 1.00 0.00 C ATOM 1822 CG GLN A 115 109.918 -1.242 0.438 1.00 0.00 C ATOM 1823 CD GLN A 115 109.082 -0.015 0.067 1.00 0.00 C ATOM 1824 OE1 GLN A 115 109.046 0.386 -1.078 1.00 0.00 O ATOM 1825 NE2 GLN A 115 108.404 0.601 0.997 1.00 0.00 N ATOM 0 H GLN A 115 111.304 -3.965 -2.365 1.00 0.00 H new ATOM 0 HA GLN A 115 112.306 -2.327 -0.053 1.00 0.00 H new ATOM 0 HB2 GLN A 115 110.612 -1.266 -1.609 1.00 0.00 H new ATOM 0 HB3 GLN A 115 109.496 -2.560 -1.223 1.00 0.00 H new ATOM 0 HG2 GLN A 115 109.343 -1.905 1.084 1.00 0.00 H new ATOM 0 HG3 GLN A 115 110.801 -0.937 0.999 1.00 0.00 H new ATOM 0 HE21 GLN A 115 108.435 0.263 1.959 1.00 0.00 H new ATOM 0 HE22 GLN A 115 107.843 1.420 0.762 1.00 0.00 H new ATOM 1834 N THR A 116 111.831 -4.332 1.405 1.00 0.00 N ATOM 1835 CA THR A 116 111.433 -5.417 2.338 1.00 0.00 C ATOM 1836 C THR A 116 110.891 -4.810 3.623 1.00 0.00 C ATOM 1837 O THR A 116 111.383 -3.811 4.107 1.00 0.00 O ATOM 1838 CB THR A 116 112.645 -6.288 2.667 1.00 0.00 C ATOM 1839 OG1 THR A 116 113.570 -6.237 1.590 1.00 0.00 O ATOM 1840 CG2 THR A 116 112.199 -7.733 2.896 1.00 0.00 C ATOM 0 H THR A 116 112.722 -3.882 1.613 1.00 0.00 H new ATOM 0 HA THR A 116 110.664 -6.028 1.866 1.00 0.00 H new ATOM 0 HB THR A 116 113.122 -5.915 3.573 1.00 0.00 H new ATOM 0 HG1 THR A 116 114.348 -6.794 1.801 1.00 0.00 H new ATOM 0 HG21 THR A 116 113.067 -8.349 3.130 1.00 0.00 H new ATOM 0 HG22 THR A 116 111.494 -7.769 3.727 1.00 0.00 H new ATOM 0 HG23 THR A 116 111.717 -8.112 1.995 1.00 0.00 H new ATOM 1848 N TYR A 117 109.895 -5.423 4.190 1.00 0.00 N ATOM 1849 CA TYR A 117 109.329 -4.899 5.464 1.00 0.00 C ATOM 1850 C TYR A 117 109.332 -6.002 6.507 1.00 0.00 C ATOM 1851 O TYR A 117 109.149 -7.164 6.209 1.00 0.00 O ATOM 1852 CB TYR A 117 107.891 -4.399 5.274 1.00 0.00 C ATOM 1853 CG TYR A 117 107.611 -4.173 3.818 1.00 0.00 C ATOM 1854 CD1 TYR A 117 107.622 -5.255 2.946 1.00 0.00 C ATOM 1855 CD2 TYR A 117 107.332 -2.887 3.346 1.00 0.00 C ATOM 1856 CE1 TYR A 117 107.354 -5.061 1.586 1.00 0.00 C ATOM 1857 CE2 TYR A 117 107.064 -2.685 1.989 1.00 0.00 C ATOM 1858 CZ TYR A 117 107.074 -3.773 1.107 1.00 0.00 C ATOM 1859 OH TYR A 117 106.808 -3.576 -0.232 1.00 0.00 O ATOM 0 H TYR A 117 109.446 -6.265 3.828 1.00 0.00 H new ATOM 0 HA TYR A 117 109.947 -4.062 5.789 1.00 0.00 H new ATOM 0 HB2 TYR A 117 107.188 -5.127 5.678 1.00 0.00 H new ATOM 0 HB3 TYR A 117 107.744 -3.472 5.829 1.00 0.00 H new ATOM 0 HD1 TYR A 117 107.837 -6.246 3.318 1.00 0.00 H new ATOM 0 HD2 TYR A 117 107.324 -2.050 4.029 1.00 0.00 H new ATOM 0 HE1 TYR A 117 107.363 -5.901 0.907 1.00 0.00 H new ATOM 0 HE2 TYR A 117 106.850 -1.692 1.622 1.00 0.00 H new ATOM 0 HH TYR A 117 106.634 -2.625 -0.395 1.00 0.00 H new ATOM 1869 N VAL A 118 109.516 -5.632 7.734 1.00 0.00 N ATOM 1870 CA VAL A 118 109.514 -6.630 8.835 1.00 0.00 C ATOM 1871 C VAL A 118 108.327 -6.352 9.726 1.00 0.00 C ATOM 1872 O VAL A 118 107.887 -5.226 9.866 1.00 0.00 O ATOM 1873 CB VAL A 118 110.779 -6.513 9.678 1.00 0.00 C ATOM 1874 CG1 VAL A 118 110.891 -7.718 10.619 1.00 0.00 C ATOM 1875 CG2 VAL A 118 112.005 -6.455 8.768 1.00 0.00 C ATOM 0 H VAL A 118 109.670 -4.668 8.029 1.00 0.00 H new ATOM 0 HA VAL A 118 109.466 -7.630 8.404 1.00 0.00 H new ATOM 0 HB VAL A 118 110.728 -5.599 10.270 1.00 0.00 H new ATOM 0 HG11 VAL A 118 111.797 -7.628 11.219 1.00 0.00 H new ATOM 0 HG12 VAL A 118 110.022 -7.748 11.277 1.00 0.00 H new ATOM 0 HG13 VAL A 118 110.934 -8.635 10.032 1.00 0.00 H new ATOM 0 HG21 VAL A 118 112.906 -6.371 9.376 1.00 0.00 H new ATOM 0 HG22 VAL A 118 112.056 -7.363 8.167 1.00 0.00 H new ATOM 0 HG23 VAL A 118 111.929 -5.589 8.110 1.00 0.00 H new ATOM 1885 N TYR A 119 107.805 -7.364 10.329 1.00 0.00 N ATOM 1886 CA TYR A 119 106.636 -7.154 11.215 1.00 0.00 C ATOM 1887 C TYR A 119 106.700 -8.080 12.428 1.00 0.00 C ATOM 1888 O TYR A 119 106.539 -9.281 12.329 1.00 0.00 O ATOM 1889 CB TYR A 119 105.353 -7.415 10.430 1.00 0.00 C ATOM 1890 CG TYR A 119 104.286 -6.453 10.884 1.00 0.00 C ATOM 1891 CD1 TYR A 119 103.581 -6.711 12.059 1.00 0.00 C ATOM 1892 CD2 TYR A 119 103.997 -5.311 10.128 1.00 0.00 C ATOM 1893 CE1 TYR A 119 102.580 -5.831 12.483 1.00 0.00 C ATOM 1894 CE2 TYR A 119 102.999 -4.427 10.552 1.00 0.00 C ATOM 1895 CZ TYR A 119 102.288 -4.688 11.729 1.00 0.00 C ATOM 1896 OH TYR A 119 101.301 -3.818 12.146 1.00 0.00 O ATOM 0 H TYR A 119 108.131 -8.327 10.251 1.00 0.00 H new ATOM 0 HA TYR A 119 106.647 -6.124 11.571 1.00 0.00 H new ATOM 0 HB2 TYR A 119 105.536 -7.295 9.362 1.00 0.00 H new ATOM 0 HB3 TYR A 119 105.022 -8.442 10.584 1.00 0.00 H new ATOM 0 HD1 TYR A 119 103.808 -7.591 12.642 1.00 0.00 H new ATOM 0 HD2 TYR A 119 104.544 -5.112 9.218 1.00 0.00 H new ATOM 0 HE1 TYR A 119 102.032 -6.033 13.392 1.00 0.00 H new ATOM 0 HE2 TYR A 119 102.777 -3.544 9.971 1.00 0.00 H new ATOM 0 HH TYR A 119 100.424 -4.244 12.042 1.00 0.00 H new ATOM 1906 N GLU A 120 106.919 -7.508 13.575 1.00 0.00 N ATOM 1907 CA GLU A 120 106.977 -8.301 14.838 1.00 0.00 C ATOM 1908 C GLU A 120 107.886 -9.512 14.679 1.00 0.00 C ATOM 1909 O GLU A 120 107.832 -10.446 15.453 1.00 0.00 O ATOM 1910 CB GLU A 120 105.569 -8.764 15.218 1.00 0.00 C ATOM 1911 CG GLU A 120 104.800 -7.599 15.844 1.00 0.00 C ATOM 1912 CD GLU A 120 103.468 -8.106 16.400 1.00 0.00 C ATOM 1913 OE1 GLU A 120 103.492 -8.781 17.415 1.00 0.00 O ATOM 1914 OE2 GLU A 120 102.447 -7.809 15.801 1.00 0.00 O ATOM 0 H GLU A 120 107.063 -6.506 13.696 1.00 0.00 H new ATOM 0 HA GLU A 120 107.383 -7.666 15.625 1.00 0.00 H new ATOM 0 HB2 GLU A 120 105.044 -9.128 14.335 1.00 0.00 H new ATOM 0 HB3 GLU A 120 105.625 -9.596 15.920 1.00 0.00 H new ATOM 0 HG2 GLU A 120 105.390 -7.146 16.641 1.00 0.00 H new ATOM 0 HG3 GLU A 120 104.623 -6.824 15.098 1.00 0.00 H new ATOM 1921 N GLY A 121 108.726 -9.502 13.694 1.00 0.00 N ATOM 1922 CA GLY A 121 109.649 -10.651 13.494 1.00 0.00 C ATOM 1923 C GLY A 121 109.274 -11.378 12.213 1.00 0.00 C ATOM 1924 O GLY A 121 109.511 -12.561 12.065 1.00 0.00 O ATOM 0 H GLY A 121 108.817 -8.747 13.014 1.00 0.00 H new ATOM 0 HA2 GLY A 121 110.679 -10.299 13.438 1.00 0.00 H new ATOM 0 HA3 GLY A 121 109.590 -11.332 14.343 1.00 0.00 H new ATOM 1928 N VAL A 122 108.713 -10.673 11.274 1.00 0.00 N ATOM 1929 CA VAL A 122 108.347 -11.304 9.992 1.00 0.00 C ATOM 1930 C VAL A 122 109.053 -10.539 8.906 1.00 0.00 C ATOM 1931 O VAL A 122 109.713 -9.557 9.164 1.00 0.00 O ATOM 1932 CB VAL A 122 106.839 -11.251 9.770 1.00 0.00 C ATOM 1933 CG1 VAL A 122 106.460 -9.991 8.988 1.00 0.00 C ATOM 1934 CG2 VAL A 122 106.399 -12.488 8.991 1.00 0.00 C ATOM 0 H VAL A 122 108.493 -9.680 11.346 1.00 0.00 H new ATOM 0 HA VAL A 122 108.640 -12.354 9.990 1.00 0.00 H new ATOM 0 HB VAL A 122 106.338 -11.227 10.738 1.00 0.00 H new ATOM 0 HG11 VAL A 122 105.381 -9.967 8.837 1.00 0.00 H new ATOM 0 HG12 VAL A 122 106.768 -9.108 9.549 1.00 0.00 H new ATOM 0 HG13 VAL A 122 106.961 -9.999 8.020 1.00 0.00 H new ATOM 0 HG21 VAL A 122 105.321 -12.453 8.831 1.00 0.00 H new ATOM 0 HG22 VAL A 122 106.908 -12.512 8.028 1.00 0.00 H new ATOM 0 HG23 VAL A 122 106.653 -13.384 9.558 1.00 0.00 H new ATOM 1944 N GLU A 123 108.936 -10.967 7.702 1.00 0.00 N ATOM 1945 CA GLU A 123 109.632 -10.223 6.629 1.00 0.00 C ATOM 1946 C GLU A 123 108.976 -10.456 5.268 1.00 0.00 C ATOM 1947 O GLU A 123 108.860 -11.571 4.801 1.00 0.00 O ATOM 1948 CB GLU A 123 111.091 -10.676 6.574 1.00 0.00 C ATOM 1949 CG GLU A 123 111.181 -12.035 5.875 1.00 0.00 C ATOM 1950 CD GLU A 123 112.501 -12.713 6.245 1.00 0.00 C ATOM 1951 OE1 GLU A 123 112.521 -13.931 6.312 1.00 0.00 O ATOM 1952 OE2 GLU A 123 113.471 -12.002 6.454 1.00 0.00 O ATOM 0 H GLU A 123 108.401 -11.784 7.408 1.00 0.00 H new ATOM 0 HA GLU A 123 109.571 -9.158 6.854 1.00 0.00 H new ATOM 0 HB2 GLU A 123 111.691 -9.940 6.039 1.00 0.00 H new ATOM 0 HB3 GLU A 123 111.499 -10.747 7.582 1.00 0.00 H new ATOM 0 HG2 GLU A 123 110.341 -12.664 6.171 1.00 0.00 H new ATOM 0 HG3 GLU A 123 111.117 -11.905 4.795 1.00 0.00 H new ATOM 1959 N ALA A 124 108.581 -9.398 4.615 1.00 0.00 N ATOM 1960 CA ALA A 124 107.969 -9.529 3.261 1.00 0.00 C ATOM 1961 C ALA A 124 108.841 -8.749 2.276 1.00 0.00 C ATOM 1962 O ALA A 124 109.517 -7.814 2.656 1.00 0.00 O ATOM 1963 CB ALA A 124 106.547 -8.961 3.265 1.00 0.00 C ATOM 0 H ALA A 124 108.656 -8.442 4.963 1.00 0.00 H new ATOM 0 HA ALA A 124 107.913 -10.579 2.972 1.00 0.00 H new ATOM 0 HB1 ALA A 124 106.112 -9.063 2.271 1.00 0.00 H new ATOM 0 HB2 ALA A 124 105.939 -9.508 3.985 1.00 0.00 H new ATOM 0 HB3 ALA A 124 106.577 -7.907 3.542 1.00 0.00 H new ATOM 1969 N LYS A 125 108.859 -9.122 1.022 1.00 0.00 N ATOM 1970 CA LYS A 125 109.726 -8.383 0.059 1.00 0.00 C ATOM 1971 C LYS A 125 108.955 -8.009 -1.208 1.00 0.00 C ATOM 1972 O LYS A 125 108.177 -8.780 -1.733 1.00 0.00 O ATOM 1973 CB LYS A 125 110.924 -9.255 -0.319 1.00 0.00 C ATOM 1974 CG LYS A 125 112.081 -8.365 -0.791 1.00 0.00 C ATOM 1975 CD LYS A 125 113.379 -9.178 -0.823 1.00 0.00 C ATOM 1976 CE LYS A 125 113.449 -9.985 -2.120 1.00 0.00 C ATOM 1977 NZ LYS A 125 114.413 -11.109 -1.953 1.00 0.00 N ATOM 0 H LYS A 125 108.320 -9.894 0.629 1.00 0.00 H new ATOM 0 HA LYS A 125 110.064 -7.465 0.540 1.00 0.00 H new ATOM 0 HB2 LYS A 125 111.237 -9.851 0.538 1.00 0.00 H new ATOM 0 HB3 LYS A 125 110.644 -9.953 -1.108 1.00 0.00 H new ATOM 0 HG2 LYS A 125 111.865 -7.967 -1.783 1.00 0.00 H new ATOM 0 HG3 LYS A 125 112.192 -7.511 -0.122 1.00 0.00 H new ATOM 0 HD2 LYS A 125 114.239 -8.512 -0.751 1.00 0.00 H new ATOM 0 HD3 LYS A 125 113.422 -9.847 0.036 1.00 0.00 H new ATOM 0 HE2 LYS A 125 112.462 -10.372 -2.374 1.00 0.00 H new ATOM 0 HE3 LYS A 125 113.761 -9.343 -2.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 114.848 -11.332 -2.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 115.153 -10.834 -1.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 113.911 -11.947 -1.595 1.00 0.00 H new ATOM 1991 N ARG A 126 109.194 -6.826 -1.706 1.00 0.00 N ATOM 1992 CA ARG A 126 108.514 -6.372 -2.952 1.00 0.00 C ATOM 1993 C ARG A 126 109.574 -5.763 -3.875 1.00 0.00 C ATOM 1994 O ARG A 126 110.178 -4.757 -3.555 1.00 0.00 O ATOM 1995 CB ARG A 126 107.454 -5.320 -2.605 1.00 0.00 C ATOM 1996 CG ARG A 126 106.186 -5.574 -3.425 1.00 0.00 C ATOM 1997 CD ARG A 126 105.092 -4.598 -2.990 1.00 0.00 C ATOM 1998 NE ARG A 126 104.848 -4.743 -1.527 1.00 0.00 N ATOM 1999 CZ ARG A 126 104.104 -3.874 -0.900 1.00 0.00 C ATOM 2000 NH1 ARG A 126 103.891 -4.001 0.383 1.00 0.00 N ATOM 2001 NH2 ARG A 126 103.571 -2.878 -1.554 1.00 0.00 N ATOM 0 H ARG A 126 109.838 -6.148 -1.298 1.00 0.00 H new ATOM 0 HA ARG A 126 108.023 -7.210 -3.447 1.00 0.00 H new ATOM 0 HB2 ARG A 126 107.224 -5.359 -1.540 1.00 0.00 H new ATOM 0 HB3 ARG A 126 107.838 -4.321 -2.812 1.00 0.00 H new ATOM 0 HG2 ARG A 126 106.397 -5.451 -4.487 1.00 0.00 H new ATOM 0 HG3 ARG A 126 105.849 -6.601 -3.284 1.00 0.00 H new ATOM 0 HD2 ARG A 126 105.390 -3.575 -3.220 1.00 0.00 H new ATOM 0 HD3 ARG A 126 104.174 -4.794 -3.544 1.00 0.00 H new ATOM 0 HE ARG A 126 105.263 -5.522 -1.016 1.00 0.00 H new ATOM 0 HH11 ARG A 126 104.307 -4.780 0.894 1.00 0.00 H new ATOM 0 HH12 ARG A 126 103.309 -3.321 0.873 1.00 0.00 H new ATOM 0 HH21 ARG A 126 103.736 -2.779 -2.556 1.00 0.00 H new ATOM 0 HH22 ARG A 126 102.989 -2.199 -1.063 1.00 0.00 H new ATOM 2015 N ILE A 127 109.830 -6.374 -5.001 1.00 0.00 N ATOM 2016 CA ILE A 127 110.879 -5.833 -5.914 1.00 0.00 C ATOM 2017 C ILE A 127 110.249 -5.145 -7.125 1.00 0.00 C ATOM 2018 O ILE A 127 109.480 -5.731 -7.861 1.00 0.00 O ATOM 2019 CB ILE A 127 111.767 -6.979 -6.397 1.00 0.00 C ATOM 2020 CG1 ILE A 127 112.256 -7.796 -5.191 1.00 0.00 C ATOM 2021 CG2 ILE A 127 112.971 -6.405 -7.152 1.00 0.00 C ATOM 2022 CD1 ILE A 127 111.884 -9.268 -5.383 1.00 0.00 C ATOM 0 H ILE A 127 109.361 -7.219 -5.327 1.00 0.00 H new ATOM 0 HA ILE A 127 111.470 -5.100 -5.365 1.00 0.00 H new ATOM 0 HB ILE A 127 111.196 -7.627 -7.062 1.00 0.00 H new ATOM 0 HG12 ILE A 127 113.336 -7.694 -5.084 1.00 0.00 H new ATOM 0 HG13 ILE A 127 111.807 -7.414 -4.274 1.00 0.00 H new ATOM 0 HG21 ILE A 127 113.606 -7.221 -7.498 1.00 0.00 H new ATOM 0 HG22 ILE A 127 112.622 -5.829 -8.009 1.00 0.00 H new ATOM 0 HG23 ILE A 127 113.542 -5.757 -6.487 1.00 0.00 H new ATOM 0 HD11 ILE A 127 112.232 -9.846 -4.527 1.00 0.00 H new ATOM 0 HD12 ILE A 127 110.801 -9.362 -5.468 1.00 0.00 H new ATOM 0 HD13 ILE A 127 112.354 -9.647 -6.291 1.00 0.00 H new ATOM 2034 N PHE A 128 110.590 -3.905 -7.343 1.00 0.00 N ATOM 2035 CA PHE A 128 110.036 -3.169 -8.516 1.00 0.00 C ATOM 2036 C PHE A 128 111.022 -3.248 -9.682 1.00 0.00 C ATOM 2037 O PHE A 128 112.115 -3.766 -9.555 1.00 0.00 O ATOM 2038 CB PHE A 128 109.828 -1.688 -8.167 1.00 0.00 C ATOM 2039 CG PHE A 128 109.073 -1.538 -6.868 1.00 0.00 C ATOM 2040 CD1 PHE A 128 108.280 -2.581 -6.401 1.00 0.00 C ATOM 2041 CD2 PHE A 128 109.164 -0.347 -6.138 1.00 0.00 C ATOM 2042 CE1 PHE A 128 107.571 -2.445 -5.203 1.00 0.00 C ATOM 2043 CE2 PHE A 128 108.457 -0.206 -4.937 1.00 0.00 C ATOM 2044 CZ PHE A 128 107.659 -1.256 -4.470 1.00 0.00 C ATOM 0 H PHE A 128 111.230 -3.368 -6.758 1.00 0.00 H new ATOM 0 HA PHE A 128 109.083 -3.623 -8.788 1.00 0.00 H new ATOM 0 HB2 PHE A 128 110.794 -1.190 -8.089 1.00 0.00 H new ATOM 0 HB3 PHE A 128 109.279 -1.195 -8.970 1.00 0.00 H new ATOM 0 HD1 PHE A 128 108.211 -3.499 -6.965 1.00 0.00 H new ATOM 0 HD2 PHE A 128 109.779 0.463 -6.501 1.00 0.00 H new ATOM 0 HE1 PHE A 128 106.956 -3.257 -4.844 1.00 0.00 H new ATOM 0 HE2 PHE A 128 108.528 0.712 -4.372 1.00 0.00 H new ATOM 0 HZ PHE A 128 107.112 -1.149 -3.545 1.00 0.00 H new ATOM 2054 N LYS A 129 110.642 -2.718 -10.815 1.00 0.00 N ATOM 2055 CA LYS A 129 111.537 -2.738 -12.005 1.00 0.00 C ATOM 2056 C LYS A 129 111.015 -1.736 -13.038 1.00 0.00 C ATOM 2057 O LYS A 129 109.828 -1.496 -13.137 1.00 0.00 O ATOM 2058 CB LYS A 129 111.547 -4.139 -12.619 1.00 0.00 C ATOM 2059 CG LYS A 129 112.696 -4.249 -13.624 1.00 0.00 C ATOM 2060 CD LYS A 129 112.345 -5.283 -14.695 1.00 0.00 C ATOM 2061 CE LYS A 129 113.457 -5.334 -15.742 1.00 0.00 C ATOM 2062 NZ LYS A 129 113.151 -6.395 -16.744 1.00 0.00 N ATOM 0 H LYS A 129 109.739 -2.268 -10.966 1.00 0.00 H new ATOM 0 HA LYS A 129 112.550 -2.470 -11.705 1.00 0.00 H new ATOM 0 HB2 LYS A 129 111.661 -4.889 -11.837 1.00 0.00 H new ATOM 0 HB3 LYS A 129 110.596 -4.337 -13.114 1.00 0.00 H new ATOM 0 HG2 LYS A 129 112.881 -3.280 -14.087 1.00 0.00 H new ATOM 0 HG3 LYS A 129 113.614 -4.538 -13.112 1.00 0.00 H new ATOM 0 HD2 LYS A 129 112.216 -6.264 -14.239 1.00 0.00 H new ATOM 0 HD3 LYS A 129 111.398 -5.024 -15.168 1.00 0.00 H new ATOM 0 HE2 LYS A 129 113.549 -4.367 -16.237 1.00 0.00 H new ATOM 0 HE3 LYS A 129 114.414 -5.538 -15.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 113.908 -6.429 -17.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 113.084 -7.316 -16.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 112.246 -6.181 -17.211 1.00 0.00 H new ATOM 2076 N LYS A 130 111.888 -1.147 -13.807 1.00 0.00 N ATOM 2077 CA LYS A 130 111.436 -0.160 -14.829 1.00 0.00 C ATOM 2078 C LYS A 130 110.262 -0.743 -15.617 1.00 0.00 C ATOM 2079 O LYS A 130 110.291 -1.883 -16.039 1.00 0.00 O ATOM 2080 CB LYS A 130 112.588 0.152 -15.788 1.00 0.00 C ATOM 2081 CG LYS A 130 113.608 1.064 -15.097 1.00 0.00 C ATOM 2082 CD LYS A 130 114.358 1.893 -16.143 1.00 0.00 C ATOM 2083 CE LYS A 130 115.388 1.012 -16.856 1.00 0.00 C ATOM 2084 NZ LYS A 130 116.660 1.007 -16.080 1.00 0.00 N ATOM 0 H LYS A 130 112.895 -1.306 -13.773 1.00 0.00 H new ATOM 0 HA LYS A 130 111.121 0.757 -14.331 1.00 0.00 H new ATOM 0 HB2 LYS A 130 113.070 -0.773 -16.105 1.00 0.00 H new ATOM 0 HB3 LYS A 130 112.204 0.636 -16.686 1.00 0.00 H new ATOM 0 HG2 LYS A 130 113.101 1.724 -14.393 1.00 0.00 H new ATOM 0 HG3 LYS A 130 114.313 0.465 -14.521 1.00 0.00 H new ATOM 0 HD2 LYS A 130 113.655 2.306 -16.866 1.00 0.00 H new ATOM 0 HD3 LYS A 130 114.855 2.737 -15.664 1.00 0.00 H new ATOM 0 HE2 LYS A 130 115.006 -0.004 -16.956 1.00 0.00 H new ATOM 0 HE3 LYS A 130 115.566 1.386 -17.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 117.090 0.061 -16.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 117.316 1.705 -16.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 116.463 1.252 -15.089 1.00 0.00 H new ATOM 2098 N ASP A 131 109.230 0.028 -15.821 1.00 0.00 N ATOM 2099 CA ASP A 131 108.057 -0.482 -16.582 1.00 0.00 C ATOM 2100 C ASP A 131 108.413 -0.574 -18.068 1.00 0.00 C ATOM 2101 O ASP A 131 108.961 0.385 -18.584 1.00 0.00 O ATOM 2102 CB ASP A 131 106.874 0.471 -16.399 1.00 0.00 C ATOM 2103 CG ASP A 131 105.708 0.012 -17.277 1.00 0.00 C ATOM 2104 OD1 ASP A 131 105.232 -1.091 -17.066 1.00 0.00 O ATOM 2105 OD2 ASP A 131 105.311 0.773 -18.145 1.00 0.00 O ATOM 0 H ASP A 131 109.149 0.990 -15.493 1.00 0.00 H new ATOM 0 HA ASP A 131 107.787 -1.471 -16.211 1.00 0.00 H new ATOM 0 HB2 ASP A 131 106.569 0.492 -15.353 1.00 0.00 H new ATOM 0 HB3 ASP A 131 107.167 1.486 -16.666 1.00 0.00 H new