USER MOD reduce.3.24.130724 H: found=0, std=0, add=923, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 921 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 72 THR OG1 : rot 127:sc= 0.887 USER MOD Set 1.2: A 89 HIS : no HE2:sc= -12.4! C(o=-11!,f=-11!) USER MOD Set 2.1: A 14 LYS NZ :NH3+ 160:sc= 0.099 (180deg=0) USER MOD Set 2.2: A 53 ASN : amide:sc= 0.0853 K(o=0.18,f=-1.4) USER MOD Single : A 1 MET CE :methyl 179:sc= 0 (180deg=-0.00196) USER MOD Single : A 1 MET N :NH3+ 174:sc= 0 (180deg=-0.0301) USER MOD Single : A 2 ASN : amide:sc= 0 X(o=0,f=-0.061) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ -155:sc= 0.461 (180deg=0.189) USER MOD Single : A 13 HIS : no HD1:sc= -0.628 K(o=-0.63,f=-1.8!) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.351 USER MOD Single : A 26 TYR OH : rot 180:sc= -0.502 USER MOD Single : A 30 LYS NZ :NH3+ -161:sc= 1.25 (180deg=0.477) USER MOD Single : A 31 SER OG : rot 180:sc= -0.363 USER MOD Single : A 34 SER OG : rot -126:sc= 0.0617 USER MOD Single : A 38 TYR OH : rot 70:sc= 1.09 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= -0.0177 K(o=-0.018,f=-3.5!) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= -0.0424 X(o=-0.042,f=0) USER MOD Single : A 63 MET CE :methyl -155:sc= -0.423 (180deg=-1.55) USER MOD Single : A 64 LYS NZ :NH3+ 140:sc= -0.339 (180deg=-0.768) USER MOD Single : A 65 THR OG1 : rot 180:sc= -0.137 USER MOD Single : A 71 ASN : amide:sc= -0.264 X(o=-0.26,f=-0.038) USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 81 THR OG1 : rot 180:sc= -0.0699 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0.0257 USER MOD Single : A 87 THR OG1 : rot 46:sc= 0.0102 USER MOD Single : A 92 SER OG : rot 180:sc= -0.624 USER MOD Single : A 100 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 104 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 105 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 108 ASN : amide:sc= 1.17 K(o=1.2,f=-0.091) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 111 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.299) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 20.812 4.202 -11.405 1.00 0.00 N ATOM 2 CA MET A 1 19.858 4.874 -10.467 1.00 0.00 C ATOM 3 C MET A 1 18.716 3.918 -10.076 1.00 0.00 C ATOM 4 O MET A 1 17.581 4.327 -9.920 1.00 0.00 O ATOM 5 CB MET A 1 19.312 6.079 -11.244 1.00 0.00 C ATOM 6 CG MET A 1 20.146 7.321 -10.922 1.00 0.00 C ATOM 7 SD MET A 1 19.287 8.318 -9.677 1.00 0.00 S ATOM 8 CE MET A 1 20.462 8.060 -8.323 1.00 0.00 C ATOM 0 H1 MET A 1 21.517 4.891 -11.736 1.00 0.00 H new ATOM 0 H2 MET A 1 21.294 3.424 -10.911 1.00 0.00 H new ATOM 0 H3 MET A 1 20.289 3.823 -12.220 1.00 0.00 H new ATOM 0 HA MET A 1 20.344 5.174 -9.539 1.00 0.00 H new ATOM 0 HB2 MET A 1 19.341 5.877 -12.315 1.00 0.00 H new ATOM 0 HB3 MET A 1 18.268 6.251 -10.980 1.00 0.00 H new ATOM 0 HG2 MET A 1 21.129 7.027 -10.553 1.00 0.00 H new ATOM 0 HG3 MET A 1 20.307 7.908 -11.826 1.00 0.00 H new ATOM 0 HE1 MET A 1 20.130 8.612 -7.443 1.00 0.00 H new ATOM 0 HE2 MET A 1 20.516 6.997 -8.086 1.00 0.00 H new ATOM 0 HE3 MET A 1 21.448 8.416 -8.624 1.00 0.00 H new ATOM 20 N ASN A 2 19.010 2.650 -9.908 1.00 0.00 N ATOM 21 CA ASN A 2 17.944 1.674 -9.520 1.00 0.00 C ATOM 22 C ASN A 2 18.028 1.385 -8.015 1.00 0.00 C ATOM 23 O ASN A 2 18.285 0.270 -7.598 1.00 0.00 O ATOM 24 CB ASN A 2 18.233 0.411 -10.339 1.00 0.00 C ATOM 25 CG ASN A 2 17.892 0.662 -11.811 1.00 0.00 C ATOM 26 OD1 ASN A 2 16.785 1.041 -12.135 1.00 0.00 O ATOM 27 ND2 ASN A 2 18.804 0.465 -12.724 1.00 0.00 N ATOM 0 H ASN A 2 19.941 2.250 -10.023 1.00 0.00 H new ATOM 0 HA ASN A 2 16.941 2.052 -9.716 1.00 0.00 H new ATOM 0 HB2 ASN A 2 19.283 0.134 -10.241 1.00 0.00 H new ATOM 0 HB3 ASN A 2 17.646 -0.424 -9.957 1.00 0.00 H new ATOM 0 HD21 ASN A 2 18.586 0.629 -13.707 1.00 0.00 H new ATOM 0 HD22 ASN A 2 19.735 0.147 -12.455 1.00 0.00 H new ATOM 34 N GLU A 3 17.817 2.390 -7.201 1.00 0.00 N ATOM 35 CA GLU A 3 17.887 2.197 -5.720 1.00 0.00 C ATOM 36 C GLU A 3 16.882 3.124 -5.016 1.00 0.00 C ATOM 37 O GLU A 3 17.255 4.056 -4.328 1.00 0.00 O ATOM 38 CB GLU A 3 19.335 2.547 -5.329 1.00 0.00 C ATOM 39 CG GLU A 3 19.761 3.875 -5.976 1.00 0.00 C ATOM 40 CD GLU A 3 21.251 4.121 -5.715 1.00 0.00 C ATOM 41 OE1 GLU A 3 22.059 3.487 -6.373 1.00 0.00 O ATOM 42 OE2 GLU A 3 21.557 4.943 -4.865 1.00 0.00 O ATOM 0 H GLU A 3 17.598 3.340 -7.501 1.00 0.00 H new ATOM 0 HA GLU A 3 17.633 1.179 -5.424 1.00 0.00 H new ATOM 0 HB2 GLU A 3 19.417 2.621 -4.245 1.00 0.00 H new ATOM 0 HB3 GLU A 3 20.007 1.749 -5.646 1.00 0.00 H new ATOM 0 HG2 GLU A 3 19.570 3.846 -7.049 1.00 0.00 H new ATOM 0 HG3 GLU A 3 19.170 4.695 -5.569 1.00 0.00 H new ATOM 49 N VAL A 4 15.607 2.869 -5.183 1.00 0.00 N ATOM 50 CA VAL A 4 14.569 3.728 -4.527 1.00 0.00 C ATOM 51 C VAL A 4 14.568 3.490 -3.010 1.00 0.00 C ATOM 52 O VAL A 4 14.649 2.366 -2.552 1.00 0.00 O ATOM 53 CB VAL A 4 13.236 3.290 -5.148 1.00 0.00 C ATOM 54 CG1 VAL A 4 12.075 3.965 -4.414 1.00 0.00 C ATOM 55 CG2 VAL A 4 13.199 3.695 -6.624 1.00 0.00 C ATOM 0 H VAL A 4 15.239 2.102 -5.746 1.00 0.00 H new ATOM 0 HA VAL A 4 14.754 4.791 -4.680 1.00 0.00 H new ATOM 0 HB VAL A 4 13.142 2.208 -5.061 1.00 0.00 H new ATOM 0 HG11 VAL A 4 11.131 3.650 -4.859 1.00 0.00 H new ATOM 0 HG12 VAL A 4 12.094 3.679 -3.362 1.00 0.00 H new ATOM 0 HG13 VAL A 4 12.172 5.047 -4.497 1.00 0.00 H new ATOM 0 HG21 VAL A 4 12.251 3.383 -7.063 1.00 0.00 H new ATOM 0 HG22 VAL A 4 13.299 4.777 -6.707 1.00 0.00 H new ATOM 0 HG23 VAL A 4 14.021 3.213 -7.154 1.00 0.00 H new ATOM 65 N SER A 5 14.475 4.539 -2.231 1.00 0.00 N ATOM 66 CA SER A 5 14.470 4.372 -0.744 1.00 0.00 C ATOM 67 C SER A 5 13.038 4.199 -0.228 1.00 0.00 C ATOM 68 O SER A 5 12.079 4.534 -0.898 1.00 0.00 O ATOM 69 CB SER A 5 15.090 5.658 -0.191 1.00 0.00 C ATOM 70 OG SER A 5 16.490 5.469 -0.029 1.00 0.00 O ATOM 0 H SER A 5 14.402 5.502 -2.559 1.00 0.00 H new ATOM 0 HA SER A 5 15.025 3.487 -0.432 1.00 0.00 H new ATOM 0 HB2 SER A 5 14.899 6.489 -0.870 1.00 0.00 H new ATOM 0 HB3 SER A 5 14.633 5.915 0.764 1.00 0.00 H new ATOM 0 HG SER A 5 16.892 6.290 0.323 1.00 0.00 H new ATOM 76 N VAL A 6 12.888 3.675 0.962 1.00 0.00 N ATOM 77 CA VAL A 6 11.520 3.473 1.531 1.00 0.00 C ATOM 78 C VAL A 6 11.089 4.708 2.330 1.00 0.00 C ATOM 79 O VAL A 6 11.868 5.290 3.062 1.00 0.00 O ATOM 80 CB VAL A 6 11.640 2.248 2.446 1.00 0.00 C ATOM 81 CG1 VAL A 6 10.313 2.014 3.174 1.00 0.00 C ATOM 82 CG2 VAL A 6 11.978 1.013 1.606 1.00 0.00 C ATOM 0 H VAL A 6 13.655 3.378 1.565 1.00 0.00 H new ATOM 0 HA VAL A 6 10.770 3.323 0.754 1.00 0.00 H new ATOM 0 HB VAL A 6 12.430 2.423 3.177 1.00 0.00 H new ATOM 0 HG11 VAL A 6 10.403 1.143 3.823 1.00 0.00 H new ATOM 0 HG12 VAL A 6 10.068 2.890 3.774 1.00 0.00 H new ATOM 0 HG13 VAL A 6 9.523 1.842 2.443 1.00 0.00 H new ATOM 0 HG21 VAL A 6 12.063 0.143 2.257 1.00 0.00 H new ATOM 0 HG22 VAL A 6 11.188 0.843 0.874 1.00 0.00 H new ATOM 0 HG23 VAL A 6 12.924 1.173 1.088 1.00 0.00 H new ATOM 92 N ILE A 7 9.848 5.105 2.197 1.00 0.00 N ATOM 93 CA ILE A 7 9.349 6.294 2.952 1.00 0.00 C ATOM 94 C ILE A 7 8.647 5.841 4.238 1.00 0.00 C ATOM 95 O ILE A 7 8.772 6.472 5.271 1.00 0.00 O ATOM 96 CB ILE A 7 8.375 7.005 1.994 1.00 0.00 C ATOM 97 CG1 ILE A 7 9.133 8.083 1.211 1.00 0.00 C ATOM 98 CG2 ILE A 7 7.236 7.668 2.778 1.00 0.00 C ATOM 99 CD1 ILE A 7 10.186 7.429 0.315 1.00 0.00 C ATOM 0 H ILE A 7 9.157 4.655 1.596 1.00 0.00 H new ATOM 0 HA ILE A 7 10.153 6.963 3.259 1.00 0.00 H new ATOM 0 HB ILE A 7 7.954 6.266 1.312 1.00 0.00 H new ATOM 0 HG12 ILE A 7 8.436 8.663 0.605 1.00 0.00 H new ATOM 0 HG13 ILE A 7 9.611 8.778 1.901 1.00 0.00 H new ATOM 0 HG21 ILE A 7 6.558 8.165 2.084 1.00 0.00 H new ATOM 0 HG22 ILE A 7 6.690 6.909 3.338 1.00 0.00 H new ATOM 0 HG23 ILE A 7 7.650 8.402 3.470 1.00 0.00 H new ATOM 0 HD11 ILE A 7 10.722 8.200 -0.239 1.00 0.00 H new ATOM 0 HD12 ILE A 7 10.890 6.869 0.930 1.00 0.00 H new ATOM 0 HD13 ILE A 7 9.698 6.752 -0.386 1.00 0.00 H new ATOM 111 N LYS A 8 7.912 4.755 4.192 1.00 0.00 N ATOM 112 CA LYS A 8 7.217 4.285 5.429 1.00 0.00 C ATOM 113 C LYS A 8 7.034 2.764 5.420 1.00 0.00 C ATOM 114 O LYS A 8 6.654 2.176 4.424 1.00 0.00 O ATOM 115 CB LYS A 8 5.856 4.989 5.417 1.00 0.00 C ATOM 116 CG LYS A 8 5.201 4.872 6.800 1.00 0.00 C ATOM 117 CD LYS A 8 5.947 5.760 7.804 1.00 0.00 C ATOM 118 CE LYS A 8 6.009 5.055 9.164 1.00 0.00 C ATOM 119 NZ LYS A 8 6.693 6.020 10.074 1.00 0.00 N ATOM 0 H LYS A 8 7.765 4.181 3.362 1.00 0.00 H new ATOM 0 HA LYS A 8 7.794 4.518 6.324 1.00 0.00 H new ATOM 0 HB2 LYS A 8 5.981 6.039 5.151 1.00 0.00 H new ATOM 0 HB3 LYS A 8 5.211 4.543 4.660 1.00 0.00 H new ATOM 0 HG2 LYS A 8 4.154 5.171 6.743 1.00 0.00 H new ATOM 0 HG3 LYS A 8 5.219 3.835 7.134 1.00 0.00 H new ATOM 0 HD2 LYS A 8 6.955 5.967 7.444 1.00 0.00 H new ATOM 0 HD3 LYS A 8 5.440 6.720 7.903 1.00 0.00 H new ATOM 0 HE2 LYS A 8 5.011 4.811 9.527 1.00 0.00 H new ATOM 0 HE3 LYS A 8 6.561 4.118 9.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 7.145 5.501 10.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 7.416 6.546 9.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 5.995 6.687 10.461 1.00 0.00 H new ATOM 133 N GLU A 9 7.287 2.134 6.541 1.00 0.00 N ATOM 134 CA GLU A 9 7.121 0.653 6.644 1.00 0.00 C ATOM 135 C GLU A 9 6.147 0.324 7.787 1.00 0.00 C ATOM 136 O GLU A 9 6.219 0.899 8.858 1.00 0.00 O ATOM 137 CB GLU A 9 8.531 0.106 6.932 1.00 0.00 C ATOM 138 CG GLU A 9 8.937 0.398 8.385 1.00 0.00 C ATOM 139 CD GLU A 9 10.463 0.417 8.509 1.00 0.00 C ATOM 140 OE1 GLU A 9 11.079 -0.590 8.198 1.00 0.00 O ATOM 141 OE2 GLU A 9 10.991 1.439 8.919 1.00 0.00 O ATOM 0 H GLU A 9 7.605 2.589 7.397 1.00 0.00 H new ATOM 0 HA GLU A 9 6.707 0.209 5.738 1.00 0.00 H new ATOM 0 HB2 GLU A 9 8.554 -0.969 6.751 1.00 0.00 H new ATOM 0 HB3 GLU A 9 9.250 0.560 6.250 1.00 0.00 H new ATOM 0 HG2 GLU A 9 8.526 1.357 8.700 1.00 0.00 H new ATOM 0 HG3 GLU A 9 8.520 -0.360 9.047 1.00 0.00 H new ATOM 148 N GLY A 10 5.226 -0.579 7.565 1.00 0.00 N ATOM 149 CA GLY A 10 4.247 -0.919 8.643 1.00 0.00 C ATOM 150 C GLY A 10 3.449 -2.172 8.266 1.00 0.00 C ATOM 151 O GLY A 10 3.506 -2.648 7.148 1.00 0.00 O ATOM 0 H GLY A 10 5.109 -1.092 6.691 1.00 0.00 H new ATOM 0 HA2 GLY A 10 4.774 -1.085 9.582 1.00 0.00 H new ATOM 0 HA3 GLY A 10 3.567 -0.082 8.803 1.00 0.00 H new ATOM 155 N TRP A 11 2.695 -2.703 9.195 1.00 0.00 N ATOM 156 CA TRP A 11 1.883 -3.922 8.898 1.00 0.00 C ATOM 157 C TRP A 11 0.460 -3.520 8.502 1.00 0.00 C ATOM 158 O TRP A 11 -0.183 -2.737 9.174 1.00 0.00 O ATOM 159 CB TRP A 11 1.876 -4.732 10.198 1.00 0.00 C ATOM 160 CG TRP A 11 3.099 -5.590 10.257 1.00 0.00 C ATOM 161 CD1 TRP A 11 4.297 -5.205 10.756 1.00 0.00 C ATOM 162 CD2 TRP A 11 3.267 -6.966 9.809 1.00 0.00 C ATOM 163 NE1 TRP A 11 5.189 -6.258 10.643 1.00 0.00 N ATOM 164 CE2 TRP A 11 4.601 -7.364 10.064 1.00 0.00 C ATOM 165 CE3 TRP A 11 2.401 -7.899 9.212 1.00 0.00 C ATOM 166 CZ2 TRP A 11 5.059 -8.640 9.736 1.00 0.00 C ATOM 167 CZ3 TRP A 11 2.859 -9.185 8.881 1.00 0.00 C ATOM 168 CH2 TRP A 11 4.185 -9.553 9.142 1.00 0.00 C ATOM 0 H TRP A 11 2.607 -2.345 10.146 1.00 0.00 H new ATOM 0 HA TRP A 11 2.294 -4.499 8.069 1.00 0.00 H new ATOM 0 HB2 TRP A 11 1.847 -4.061 11.057 1.00 0.00 H new ATOM 0 HB3 TRP A 11 0.981 -5.352 10.248 1.00 0.00 H new ATOM 0 HD1 TRP A 11 4.521 -4.235 11.174 1.00 0.00 H new ATOM 0 HE1 TRP A 11 6.161 -6.221 10.950 1.00 0.00 H new ATOM 0 HE3 TRP A 11 1.377 -7.625 9.007 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 6.082 -8.920 9.940 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 2.185 -9.894 8.423 1.00 0.00 H new ATOM 0 HH2 TRP A 11 4.532 -10.543 8.884 1.00 0.00 H new ATOM 179 N LEU A 12 -0.035 -4.052 7.413 1.00 0.00 N ATOM 180 CA LEU A 12 -1.418 -3.705 6.964 1.00 0.00 C ATOM 181 C LEU A 12 -2.252 -4.979 6.786 1.00 0.00 C ATOM 182 O LEU A 12 -1.744 -6.026 6.431 1.00 0.00 O ATOM 183 CB LEU A 12 -1.247 -2.987 5.619 1.00 0.00 C ATOM 184 CG LEU A 12 -0.408 -1.716 5.800 1.00 0.00 C ATOM 185 CD1 LEU A 12 -0.250 -1.014 4.449 1.00 0.00 C ATOM 186 CD2 LEU A 12 -1.105 -0.769 6.782 1.00 0.00 C ATOM 0 H LEU A 12 0.460 -4.713 6.814 1.00 0.00 H new ATOM 0 HA LEU A 12 -1.936 -3.080 7.691 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -0.764 -3.651 4.903 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -2.224 -2.731 5.208 1.00 0.00 H new ATOM 0 HG LEU A 12 0.572 -1.987 6.192 1.00 0.00 H new ATOM 0 HD11 LEU A 12 0.346 -0.110 4.576 1.00 0.00 H new ATOM 0 HD12 LEU A 12 0.249 -1.683 3.748 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -1.233 -0.748 4.060 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -0.505 0.132 6.907 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -2.087 -0.500 6.393 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -1.220 -1.265 7.746 1.00 0.00 H new ATOM 198 N HIS A 13 -3.536 -4.889 7.025 1.00 0.00 N ATOM 199 CA HIS A 13 -4.423 -6.083 6.873 1.00 0.00 C ATOM 200 C HIS A 13 -5.050 -6.113 5.473 1.00 0.00 C ATOM 201 O HIS A 13 -5.595 -5.129 5.007 1.00 0.00 O ATOM 202 CB HIS A 13 -5.510 -5.910 7.937 1.00 0.00 C ATOM 203 CG HIS A 13 -5.180 -6.746 9.141 1.00 0.00 C ATOM 204 ND1 HIS A 13 -5.714 -8.011 9.329 1.00 0.00 N ATOM 205 CD2 HIS A 13 -4.379 -6.511 10.229 1.00 0.00 C ATOM 206 CE1 HIS A 13 -5.234 -8.485 10.493 1.00 0.00 C ATOM 207 NE2 HIS A 13 -4.415 -7.609 11.083 1.00 0.00 N ATOM 0 H HIS A 13 -4.010 -4.036 7.320 1.00 0.00 H new ATOM 0 HA HIS A 13 -3.873 -7.016 6.994 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -5.589 -4.861 8.222 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -6.478 -6.205 7.532 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -3.807 -5.610 10.397 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -5.480 -9.454 10.901 1.00 0.00 H new ATOM 0 HE2 HIS A 13 -3.922 -7.721 11.969 1.00 0.00 H new ATOM 215 N LYS A 14 -4.984 -7.238 4.805 1.00 0.00 N ATOM 216 CA LYS A 14 -5.585 -7.339 3.440 1.00 0.00 C ATOM 217 C LYS A 14 -6.591 -8.493 3.376 1.00 0.00 C ATOM 218 O LYS A 14 -6.367 -9.558 3.921 1.00 0.00 O ATOM 219 CB LYS A 14 -4.408 -7.609 2.495 1.00 0.00 C ATOM 220 CG LYS A 14 -4.940 -7.824 1.072 1.00 0.00 C ATOM 221 CD LYS A 14 -3.786 -7.764 0.065 1.00 0.00 C ATOM 222 CE LYS A 14 -4.296 -7.186 -1.262 1.00 0.00 C ATOM 223 NZ LYS A 14 -4.344 -8.339 -2.211 1.00 0.00 N ATOM 0 H LYS A 14 -4.540 -8.090 5.146 1.00 0.00 H new ATOM 0 HA LYS A 14 -6.125 -6.431 3.171 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -3.712 -6.770 2.513 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -3.855 -8.488 2.826 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -5.442 -8.789 1.005 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -5.682 -7.062 0.833 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -2.979 -7.146 0.457 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -3.375 -8.761 -0.094 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -5.282 -6.737 -1.141 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -3.632 -6.403 -1.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -4.980 -8.112 -3.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -3.389 -8.526 -2.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -4.696 -9.183 -1.715 1.00 0.00 H new ATOM 237 N ARG A 15 -7.690 -8.290 2.691 1.00 0.00 N ATOM 238 CA ARG A 15 -8.715 -9.370 2.554 1.00 0.00 C ATOM 239 C ARG A 15 -8.229 -10.395 1.520 1.00 0.00 C ATOM 240 O ARG A 15 -7.498 -10.055 0.609 1.00 0.00 O ATOM 241 CB ARG A 15 -9.983 -8.652 2.070 1.00 0.00 C ATOM 242 CG ARG A 15 -10.936 -9.640 1.385 1.00 0.00 C ATOM 243 CD ARG A 15 -12.011 -8.862 0.617 1.00 0.00 C ATOM 244 NE ARG A 15 -11.710 -9.098 -0.829 1.00 0.00 N ATOM 245 CZ ARG A 15 -11.032 -8.217 -1.543 1.00 0.00 C ATOM 246 NH1 ARG A 15 -10.545 -7.125 -0.995 1.00 0.00 N ATOM 247 NH2 ARG A 15 -10.826 -8.447 -2.815 1.00 0.00 N ATOM 0 H ARG A 15 -7.922 -7.416 2.218 1.00 0.00 H new ATOM 0 HA ARG A 15 -8.898 -9.910 3.483 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -10.485 -8.181 2.915 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -9.714 -7.857 1.375 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -10.381 -10.284 0.703 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -11.401 -10.288 2.128 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -13.010 -9.214 0.873 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -11.976 -7.800 0.858 1.00 0.00 H new ATOM 0 HE ARG A 15 -12.035 -9.957 -1.273 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -10.688 -6.946 -0.001 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -10.024 -6.457 -1.564 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -11.187 -9.299 -3.244 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -10.304 -7.774 -3.377 1.00 0.00 H new ATOM 261 N GLY A 16 -8.612 -11.643 1.663 1.00 0.00 N ATOM 262 CA GLY A 16 -8.161 -12.694 0.694 1.00 0.00 C ATOM 263 C GLY A 16 -8.603 -12.329 -0.730 1.00 0.00 C ATOM 264 O GLY A 16 -7.982 -11.520 -1.394 1.00 0.00 O ATOM 0 H GLY A 16 -9.219 -11.979 2.411 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -7.076 -12.792 0.732 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -8.578 -13.661 0.975 1.00 0.00 H new ATOM 268 N GLU A 17 -9.669 -12.920 -1.206 1.00 0.00 N ATOM 269 CA GLU A 17 -10.148 -12.607 -2.591 1.00 0.00 C ATOM 270 C GLU A 17 -11.672 -12.459 -2.598 1.00 0.00 C ATOM 271 O GLU A 17 -12.205 -11.423 -2.953 1.00 0.00 O ATOM 272 CB GLU A 17 -9.734 -13.807 -3.456 1.00 0.00 C ATOM 273 CG GLU A 17 -8.229 -14.079 -3.319 1.00 0.00 C ATOM 274 CD GLU A 17 -7.429 -13.075 -4.160 1.00 0.00 C ATOM 275 OE1 GLU A 17 -7.755 -12.907 -5.326 1.00 0.00 O ATOM 276 OE2 GLU A 17 -6.500 -12.491 -3.626 1.00 0.00 O ATOM 0 H GLU A 17 -10.229 -13.605 -0.698 1.00 0.00 H new ATOM 0 HA GLU A 17 -9.724 -11.674 -2.963 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -10.297 -14.690 -3.155 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -9.980 -13.612 -4.500 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -7.933 -14.005 -2.273 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -8.005 -15.095 -3.643 1.00 0.00 H new ATOM 283 N TYR A 18 -12.369 -13.495 -2.208 1.00 0.00 N ATOM 284 CA TYR A 18 -13.864 -13.449 -2.185 1.00 0.00 C ATOM 285 C TYR A 18 -14.389 -13.545 -0.742 1.00 0.00 C ATOM 286 O TYR A 18 -15.415 -12.978 -0.415 1.00 0.00 O ATOM 287 CB TYR A 18 -14.324 -14.658 -3.021 1.00 0.00 C ATOM 288 CG TYR A 18 -13.766 -15.947 -2.448 1.00 0.00 C ATOM 289 CD1 TYR A 18 -14.465 -16.624 -1.441 1.00 0.00 C ATOM 290 CD2 TYR A 18 -12.550 -16.460 -2.923 1.00 0.00 C ATOM 291 CE1 TYR A 18 -13.951 -17.810 -0.909 1.00 0.00 C ATOM 292 CE2 TYR A 18 -12.038 -17.648 -2.390 1.00 0.00 C ATOM 293 CZ TYR A 18 -12.738 -18.322 -1.382 1.00 0.00 C ATOM 294 OH TYR A 18 -12.232 -19.491 -0.855 1.00 0.00 O ATOM 0 H TYR A 18 -11.964 -14.379 -1.902 1.00 0.00 H new ATOM 0 HA TYR A 18 -14.247 -12.512 -2.590 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -15.413 -14.702 -3.037 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -13.994 -14.540 -4.053 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -15.402 -16.230 -1.075 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -12.010 -15.939 -3.699 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -14.491 -18.331 -0.132 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -11.103 -18.045 -2.756 1.00 0.00 H new ATOM 0 HH TYR A 18 -11.383 -19.708 -1.295 1.00 0.00 H new ATOM 304 N ILE A 19 -13.696 -14.255 0.121 1.00 0.00 N ATOM 305 CA ILE A 19 -14.160 -14.381 1.540 1.00 0.00 C ATOM 306 C ILE A 19 -14.070 -13.021 2.249 1.00 0.00 C ATOM 307 O ILE A 19 -13.431 -12.105 1.768 1.00 0.00 O ATOM 308 CB ILE A 19 -13.214 -15.411 2.184 1.00 0.00 C ATOM 309 CG1 ILE A 19 -13.779 -15.843 3.542 1.00 0.00 C ATOM 310 CG2 ILE A 19 -11.822 -14.800 2.381 1.00 0.00 C ATOM 311 CD1 ILE A 19 -13.203 -17.206 3.929 1.00 0.00 C ATOM 0 H ILE A 19 -12.832 -14.751 -0.097 1.00 0.00 H new ATOM 0 HA ILE A 19 -15.200 -14.699 1.611 1.00 0.00 H new ATOM 0 HB ILE A 19 -13.131 -16.277 1.527 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -13.530 -15.103 4.303 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -14.867 -15.897 3.494 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -11.162 -15.538 2.837 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -11.417 -14.499 1.415 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -11.896 -13.928 3.031 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -13.606 -17.511 4.895 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -13.474 -17.943 3.174 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -12.117 -17.137 3.995 1.00 0.00 H new ATOM 323 N LYS A 20 -14.709 -12.882 3.384 1.00 0.00 N ATOM 324 CA LYS A 20 -14.661 -11.577 4.115 1.00 0.00 C ATOM 325 C LYS A 20 -13.682 -11.662 5.295 1.00 0.00 C ATOM 326 O LYS A 20 -14.011 -11.314 6.414 1.00 0.00 O ATOM 327 CB LYS A 20 -16.097 -11.337 4.611 1.00 0.00 C ATOM 328 CG LYS A 20 -17.090 -11.463 3.449 1.00 0.00 C ATOM 329 CD LYS A 20 -16.903 -10.296 2.475 1.00 0.00 C ATOM 330 CE LYS A 20 -18.176 -10.118 1.642 1.00 0.00 C ATOM 331 NZ LYS A 20 -17.840 -9.078 0.628 1.00 0.00 N ATOM 0 H LYS A 20 -15.260 -13.612 3.835 1.00 0.00 H new ATOM 0 HA LYS A 20 -14.314 -10.763 3.479 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -16.345 -12.058 5.390 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -16.174 -10.346 5.058 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -16.938 -12.409 2.930 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -18.111 -11.470 3.831 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -16.684 -9.381 3.025 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -16.052 -10.486 1.822 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -18.468 -11.053 1.164 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -19.013 -9.804 2.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -18.667 -8.905 0.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -17.574 -8.196 1.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -17.045 -9.407 0.044 1.00 0.00 H new ATOM 345 N THR A 21 -12.476 -12.117 5.051 1.00 0.00 N ATOM 346 CA THR A 21 -11.470 -12.222 6.155 1.00 0.00 C ATOM 347 C THR A 21 -10.233 -11.385 5.817 1.00 0.00 C ATOM 348 O THR A 21 -9.763 -11.384 4.696 1.00 0.00 O ATOM 349 CB THR A 21 -11.102 -13.708 6.239 1.00 0.00 C ATOM 350 OG1 THR A 21 -12.287 -14.499 6.231 1.00 0.00 O ATOM 351 CG2 THR A 21 -10.321 -13.974 7.528 1.00 0.00 C ATOM 0 H THR A 21 -12.145 -12.420 4.135 1.00 0.00 H new ATOM 0 HA THR A 21 -11.864 -11.853 7.102 1.00 0.00 H new ATOM 0 HB THR A 21 -10.485 -13.972 5.380 1.00 0.00 H new ATOM 0 HG1 THR A 21 -12.047 -15.448 6.283 1.00 0.00 H new ATOM 0 HG21 THR A 21 -10.061 -15.031 7.584 1.00 0.00 H new ATOM 0 HG22 THR A 21 -9.410 -13.376 7.531 1.00 0.00 H new ATOM 0 HG23 THR A 21 -10.935 -13.705 8.388 1.00 0.00 H new ATOM 359 N TRP A 22 -9.708 -10.670 6.780 1.00 0.00 N ATOM 360 CA TRP A 22 -8.502 -9.822 6.522 1.00 0.00 C ATOM 361 C TRP A 22 -7.273 -10.410 7.226 1.00 0.00 C ATOM 362 O TRP A 22 -7.299 -10.696 8.409 1.00 0.00 O ATOM 363 CB TRP A 22 -8.852 -8.441 7.094 1.00 0.00 C ATOM 364 CG TRP A 22 -10.001 -7.859 6.328 1.00 0.00 C ATOM 365 CD1 TRP A 22 -11.304 -8.147 6.550 1.00 0.00 C ATOM 366 CD2 TRP A 22 -9.975 -6.908 5.224 1.00 0.00 C ATOM 367 NE1 TRP A 22 -12.080 -7.438 5.653 1.00 0.00 N ATOM 368 CE2 TRP A 22 -11.308 -6.658 4.814 1.00 0.00 C ATOM 369 CE3 TRP A 22 -8.938 -6.244 4.544 1.00 0.00 C ATOM 370 CZ2 TRP A 22 -11.599 -5.782 3.768 1.00 0.00 C ATOM 371 CZ3 TRP A 22 -9.227 -5.362 3.491 1.00 0.00 C ATOM 372 CH2 TRP A 22 -10.555 -5.131 3.103 1.00 0.00 C ATOM 0 H TRP A 22 -10.063 -10.636 7.736 1.00 0.00 H new ATOM 0 HA TRP A 22 -8.257 -9.769 5.461 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -9.111 -8.528 8.149 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -7.988 -7.780 7.032 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -11.677 -8.822 7.306 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -13.098 -7.485 5.615 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -7.912 -6.414 4.834 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -12.623 -5.608 3.474 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -8.422 -4.858 2.976 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -10.771 -4.451 2.292 1.00 0.00 H new ATOM 383 N ARG A 23 -6.197 -10.589 6.501 1.00 0.00 N ATOM 384 CA ARG A 23 -4.956 -11.158 7.110 1.00 0.00 C ATOM 385 C ARG A 23 -3.882 -10.071 7.252 1.00 0.00 C ATOM 386 O ARG A 23 -3.746 -9.218 6.394 1.00 0.00 O ATOM 387 CB ARG A 23 -4.492 -12.242 6.132 1.00 0.00 C ATOM 388 CG ARG A 23 -5.420 -13.457 6.233 1.00 0.00 C ATOM 389 CD ARG A 23 -6.026 -13.759 4.858 1.00 0.00 C ATOM 390 NE ARG A 23 -6.718 -15.074 5.019 1.00 0.00 N ATOM 391 CZ ARG A 23 -6.045 -16.207 4.977 1.00 0.00 C ATOM 392 NH1 ARG A 23 -4.746 -16.213 4.790 1.00 0.00 N ATOM 393 NH2 ARG A 23 -6.677 -17.342 5.124 1.00 0.00 N ATOM 0 H ARG A 23 -6.125 -10.364 5.509 1.00 0.00 H new ATOM 0 HA ARG A 23 -5.137 -11.557 8.108 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -4.495 -11.853 5.114 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -3.467 -12.535 6.358 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -4.864 -14.322 6.594 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -6.212 -13.263 6.956 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -6.725 -12.980 4.555 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -5.255 -13.811 4.090 1.00 0.00 H new ATOM 0 HE ARG A 23 -7.727 -15.095 5.164 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -4.243 -15.333 4.675 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -4.239 -17.098 4.760 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -7.686 -17.348 5.270 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -6.161 -18.221 5.092 1.00 0.00 H new ATOM 407 N PRO A 24 -3.150 -10.140 8.340 1.00 0.00 N ATOM 408 CA PRO A 24 -2.074 -9.149 8.605 1.00 0.00 C ATOM 409 C PRO A 24 -0.862 -9.394 7.691 1.00 0.00 C ATOM 410 O PRO A 24 -0.354 -10.497 7.595 1.00 0.00 O ATOM 411 CB PRO A 24 -1.711 -9.395 10.068 1.00 0.00 C ATOM 412 CG PRO A 24 -2.106 -10.813 10.336 1.00 0.00 C ATOM 413 CD PRO A 24 -3.256 -11.136 9.417 1.00 0.00 C ATOM 0 HA PRO A 24 -2.388 -8.123 8.412 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -0.645 -9.244 10.240 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -2.241 -8.707 10.727 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -1.268 -11.487 10.155 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -2.399 -10.941 11.378 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -3.182 -12.152 9.028 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -4.212 -11.062 9.935 1.00 0.00 H new ATOM 421 N ARG A 25 -0.402 -8.366 7.021 1.00 0.00 N ATOM 422 CA ARG A 25 0.776 -8.513 6.110 1.00 0.00 C ATOM 423 C ARG A 25 1.682 -7.280 6.227 1.00 0.00 C ATOM 424 O ARG A 25 1.211 -6.169 6.365 1.00 0.00 O ATOM 425 CB ARG A 25 0.182 -8.623 4.704 1.00 0.00 C ATOM 426 CG ARG A 25 -0.295 -10.054 4.440 1.00 0.00 C ATOM 427 CD ARG A 25 -1.651 -10.010 3.728 1.00 0.00 C ATOM 428 NE ARG A 25 -1.618 -11.137 2.746 1.00 0.00 N ATOM 429 CZ ARG A 25 -0.993 -11.017 1.591 1.00 0.00 C ATOM 430 NH1 ARG A 25 -0.336 -9.921 1.289 1.00 0.00 N ATOM 431 NH2 ARG A 25 -1.026 -12.006 0.736 1.00 0.00 N ATOM 0 H ARG A 25 -0.794 -7.426 7.066 1.00 0.00 H new ATOM 0 HA ARG A 25 1.388 -9.381 6.355 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -0.652 -7.929 4.599 1.00 0.00 H new ATOM 0 HB3 ARG A 25 0.929 -8.339 3.963 1.00 0.00 H new ATOM 0 HG2 ARG A 25 0.433 -10.586 3.828 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -0.382 -10.600 5.379 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -2.471 -10.129 4.436 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -1.800 -9.054 3.225 1.00 0.00 H new ATOM 0 HE ARG A 25 -2.087 -12.014 2.973 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -0.304 -9.147 1.952 1.00 0.00 H new ATOM 0 HH12 ARG A 25 0.142 -9.844 0.391 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -1.532 -12.861 0.965 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -0.545 -11.922 -0.160 1.00 0.00 H new ATOM 445 N TYR A 26 2.978 -7.466 6.176 1.00 0.00 N ATOM 446 CA TYR A 26 3.910 -6.299 6.293 1.00 0.00 C ATOM 447 C TYR A 26 3.960 -5.521 4.973 1.00 0.00 C ATOM 448 O TYR A 26 4.312 -6.057 3.944 1.00 0.00 O ATOM 449 CB TYR A 26 5.277 -6.914 6.618 1.00 0.00 C ATOM 450 CG TYR A 26 6.261 -5.830 7.006 1.00 0.00 C ATOM 451 CD1 TYR A 26 5.835 -4.714 7.741 1.00 0.00 C ATOM 452 CD2 TYR A 26 7.604 -5.945 6.630 1.00 0.00 C ATOM 453 CE1 TYR A 26 6.752 -3.718 8.096 1.00 0.00 C ATOM 454 CE2 TYR A 26 8.520 -4.949 6.986 1.00 0.00 C ATOM 455 CZ TYR A 26 8.094 -3.835 7.717 1.00 0.00 C ATOM 456 OH TYR A 26 8.996 -2.853 8.065 1.00 0.00 O ATOM 0 H TYR A 26 3.431 -8.372 6.059 1.00 0.00 H new ATOM 0 HA TYR A 26 3.592 -5.591 7.059 1.00 0.00 H new ATOM 0 HB2 TYR A 26 5.176 -7.632 7.432 1.00 0.00 H new ATOM 0 HB3 TYR A 26 5.652 -7.463 5.754 1.00 0.00 H new ATOM 0 HD1 TYR A 26 4.799 -4.623 8.033 1.00 0.00 H new ATOM 0 HD2 TYR A 26 7.934 -6.804 6.064 1.00 0.00 H new ATOM 0 HE1 TYR A 26 6.424 -2.859 8.662 1.00 0.00 H new ATOM 0 HE2 TYR A 26 9.556 -5.040 6.696 1.00 0.00 H new ATOM 0 HH TYR A 26 9.884 -3.089 7.725 1.00 0.00 H new ATOM 466 N PHE A 27 3.609 -4.259 4.995 1.00 0.00 N ATOM 467 CA PHE A 27 3.633 -3.448 3.738 1.00 0.00 C ATOM 468 C PHE A 27 4.683 -2.335 3.829 1.00 0.00 C ATOM 469 O PHE A 27 4.959 -1.808 4.892 1.00 0.00 O ATOM 470 CB PHE A 27 2.229 -2.855 3.619 1.00 0.00 C ATOM 471 CG PHE A 27 1.372 -3.760 2.764 1.00 0.00 C ATOM 472 CD1 PHE A 27 0.852 -4.942 3.302 1.00 0.00 C ATOM 473 CD2 PHE A 27 1.102 -3.418 1.433 1.00 0.00 C ATOM 474 CE1 PHE A 27 0.060 -5.782 2.511 1.00 0.00 C ATOM 475 CE2 PHE A 27 0.310 -4.258 0.642 1.00 0.00 C ATOM 476 CZ PHE A 27 -0.210 -5.440 1.181 1.00 0.00 C ATOM 0 H PHE A 27 3.307 -3.755 5.829 1.00 0.00 H new ATOM 0 HA PHE A 27 3.897 -4.052 2.870 1.00 0.00 H new ATOM 0 HB2 PHE A 27 1.785 -2.743 4.608 1.00 0.00 H new ATOM 0 HB3 PHE A 27 2.279 -1.860 3.177 1.00 0.00 H new ATOM 0 HD1 PHE A 27 1.062 -5.206 4.328 1.00 0.00 H new ATOM 0 HD2 PHE A 27 1.505 -2.506 1.017 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -0.343 -6.694 2.927 1.00 0.00 H new ATOM 0 HE2 PHE A 27 0.100 -3.994 -0.384 1.00 0.00 H new ATOM 0 HZ PHE A 27 -0.820 -6.089 0.570 1.00 0.00 H new ATOM 486 N LEU A 28 5.273 -1.980 2.715 1.00 0.00 N ATOM 487 CA LEU A 28 6.314 -0.907 2.723 1.00 0.00 C ATOM 488 C LEU A 28 6.084 0.094 1.584 1.00 0.00 C ATOM 489 O LEU A 28 5.865 -0.281 0.446 1.00 0.00 O ATOM 490 CB LEU A 28 7.641 -1.642 2.521 1.00 0.00 C ATOM 491 CG LEU A 28 8.532 -1.437 3.748 1.00 0.00 C ATOM 492 CD1 LEU A 28 8.318 -2.588 4.732 1.00 0.00 C ATOM 493 CD2 LEU A 28 9.999 -1.404 3.313 1.00 0.00 C ATOM 0 H LEU A 28 5.079 -2.387 1.800 1.00 0.00 H new ATOM 0 HA LEU A 28 6.292 -0.333 3.649 1.00 0.00 H new ATOM 0 HB2 LEU A 28 7.459 -2.705 2.364 1.00 0.00 H new ATOM 0 HB3 LEU A 28 8.143 -1.269 1.628 1.00 0.00 H new ATOM 0 HG LEU A 28 8.274 -0.494 4.230 1.00 0.00 H new ATOM 0 HD11 LEU A 28 8.953 -2.442 5.606 1.00 0.00 H new ATOM 0 HD12 LEU A 28 7.273 -2.612 5.042 1.00 0.00 H new ATOM 0 HD13 LEU A 28 8.575 -3.531 4.250 1.00 0.00 H new ATOM 0 HD21 LEU A 28 10.634 -1.258 4.187 1.00 0.00 H new ATOM 0 HD22 LEU A 28 10.257 -2.347 2.830 1.00 0.00 H new ATOM 0 HD23 LEU A 28 10.152 -0.584 2.612 1.00 0.00 H new ATOM 505 N LEU A 29 6.152 1.367 1.885 1.00 0.00 N ATOM 506 CA LEU A 29 5.963 2.412 0.833 1.00 0.00 C ATOM 507 C LEU A 29 7.335 2.926 0.381 1.00 0.00 C ATOM 508 O LEU A 29 8.167 3.277 1.196 1.00 0.00 O ATOM 509 CB LEU A 29 5.166 3.529 1.515 1.00 0.00 C ATOM 510 CG LEU A 29 4.485 4.401 0.455 1.00 0.00 C ATOM 511 CD1 LEU A 29 3.234 5.050 1.051 1.00 0.00 C ATOM 512 CD2 LEU A 29 5.451 5.495 -0.010 1.00 0.00 C ATOM 0 H LEU A 29 6.332 1.729 2.821 1.00 0.00 H new ATOM 0 HA LEU A 29 5.445 2.035 -0.049 1.00 0.00 H new ATOM 0 HB2 LEU A 29 4.418 3.100 2.182 1.00 0.00 H new ATOM 0 HB3 LEU A 29 5.829 4.138 2.130 1.00 0.00 H new ATOM 0 HG LEU A 29 4.204 3.779 -0.395 1.00 0.00 H new ATOM 0 HD11 LEU A 29 2.751 5.670 0.296 1.00 0.00 H new ATOM 0 HD12 LEU A 29 2.543 4.274 1.380 1.00 0.00 H new ATOM 0 HD13 LEU A 29 3.516 5.669 1.903 1.00 0.00 H new ATOM 0 HD21 LEU A 29 4.964 6.114 -0.764 1.00 0.00 H new ATOM 0 HD22 LEU A 29 5.735 6.115 0.840 1.00 0.00 H new ATOM 0 HD23 LEU A 29 6.342 5.036 -0.438 1.00 0.00 H new ATOM 524 N LYS A 30 7.587 2.962 -0.906 1.00 0.00 N ATOM 525 CA LYS A 30 8.920 3.439 -1.397 1.00 0.00 C ATOM 526 C LYS A 30 8.821 4.837 -2.019 1.00 0.00 C ATOM 527 O LYS A 30 7.745 5.344 -2.278 1.00 0.00 O ATOM 528 CB LYS A 30 9.346 2.412 -2.450 1.00 0.00 C ATOM 529 CG LYS A 30 10.023 1.222 -1.761 1.00 0.00 C ATOM 530 CD LYS A 30 11.537 1.286 -1.986 1.00 0.00 C ATOM 531 CE LYS A 30 12.076 -0.127 -2.243 1.00 0.00 C ATOM 532 NZ LYS A 30 13.560 -0.011 -2.125 1.00 0.00 N ATOM 0 H LYS A 30 6.931 2.683 -1.635 1.00 0.00 H new ATOM 0 HA LYS A 30 9.639 3.521 -0.582 1.00 0.00 H new ATOM 0 HB2 LYS A 30 8.477 2.073 -3.014 1.00 0.00 H new ATOM 0 HB3 LYS A 30 10.031 2.870 -3.164 1.00 0.00 H new ATOM 0 HG2 LYS A 30 9.804 1.235 -0.693 1.00 0.00 H new ATOM 0 HG3 LYS A 30 9.626 0.287 -2.156 1.00 0.00 H new ATOM 0 HD2 LYS A 30 11.762 1.933 -2.834 1.00 0.00 H new ATOM 0 HD3 LYS A 30 12.027 1.721 -1.115 1.00 0.00 H new ATOM 0 HE2 LYS A 30 11.678 -0.837 -1.518 1.00 0.00 H new ATOM 0 HE3 LYS A 30 11.787 -0.484 -3.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 14.010 -0.825 -2.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 13.877 0.868 -2.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 13.828 0.005 -1.120 1.00 0.00 H new ATOM 546 N SER A 31 9.953 5.457 -2.265 1.00 0.00 N ATOM 547 CA SER A 31 9.966 6.828 -2.874 1.00 0.00 C ATOM 548 C SER A 31 9.585 6.782 -4.363 1.00 0.00 C ATOM 549 O SER A 31 9.421 7.807 -4.996 1.00 0.00 O ATOM 550 CB SER A 31 11.409 7.317 -2.710 1.00 0.00 C ATOM 551 OG SER A 31 11.405 8.713 -2.440 1.00 0.00 O ATOM 0 H SER A 31 10.875 5.069 -2.068 1.00 0.00 H new ATOM 0 HA SER A 31 9.243 7.487 -2.393 1.00 0.00 H new ATOM 0 HB2 SER A 31 11.897 6.779 -1.897 1.00 0.00 H new ATOM 0 HB3 SER A 31 11.980 7.112 -3.616 1.00 0.00 H new ATOM 0 HG SER A 31 12.327 9.028 -2.333 1.00 0.00 H new ATOM 557 N ASP A 32 9.436 5.607 -4.926 1.00 0.00 N ATOM 558 CA ASP A 32 9.060 5.500 -6.369 1.00 0.00 C ATOM 559 C ASP A 32 7.533 5.604 -6.531 1.00 0.00 C ATOM 560 O ASP A 32 7.016 5.590 -7.633 1.00 0.00 O ATOM 561 CB ASP A 32 9.567 4.113 -6.791 1.00 0.00 C ATOM 562 CG ASP A 32 9.090 3.778 -8.207 1.00 0.00 C ATOM 563 OD1 ASP A 32 9.663 4.308 -9.145 1.00 0.00 O ATOM 564 OD2 ASP A 32 8.165 2.991 -8.326 1.00 0.00 O ATOM 0 H ASP A 32 9.559 4.716 -4.446 1.00 0.00 H new ATOM 0 HA ASP A 32 9.488 6.296 -6.979 1.00 0.00 H new ATOM 0 HB2 ASP A 32 10.656 4.090 -6.752 1.00 0.00 H new ATOM 0 HB3 ASP A 32 9.207 3.359 -6.091 1.00 0.00 H new ATOM 569 N GLY A 33 6.806 5.702 -5.442 1.00 0.00 N ATOM 570 CA GLY A 33 5.323 5.793 -5.537 1.00 0.00 C ATOM 571 C GLY A 33 4.751 4.383 -5.635 1.00 0.00 C ATOM 572 O GLY A 33 3.824 4.131 -6.381 1.00 0.00 O ATOM 0 H GLY A 33 7.181 5.722 -4.494 1.00 0.00 H new ATOM 0 HA2 GLY A 33 4.919 6.304 -4.663 1.00 0.00 H new ATOM 0 HA3 GLY A 33 5.036 6.379 -6.410 1.00 0.00 H new ATOM 576 N SER A 34 5.306 3.456 -4.893 1.00 0.00 N ATOM 577 CA SER A 34 4.803 2.054 -4.948 1.00 0.00 C ATOM 578 C SER A 34 4.712 1.452 -3.541 1.00 0.00 C ATOM 579 O SER A 34 5.453 1.815 -2.642 1.00 0.00 O ATOM 580 CB SER A 34 5.818 1.290 -5.804 1.00 0.00 C ATOM 581 OG SER A 34 7.134 1.767 -5.538 1.00 0.00 O ATOM 0 H SER A 34 6.085 3.612 -4.253 1.00 0.00 H new ATOM 0 HA SER A 34 3.800 2.002 -5.370 1.00 0.00 H new ATOM 0 HB2 SER A 34 5.758 0.223 -5.589 1.00 0.00 H new ATOM 0 HB3 SER A 34 5.583 1.416 -6.861 1.00 0.00 H new ATOM 0 HG SER A 34 7.565 2.023 -6.380 1.00 0.00 H new ATOM 587 N PHE A 35 3.801 0.532 -3.355 1.00 0.00 N ATOM 588 CA PHE A 35 3.629 -0.118 -2.024 1.00 0.00 C ATOM 589 C PHE A 35 3.881 -1.623 -2.148 1.00 0.00 C ATOM 590 O PHE A 35 3.215 -2.312 -2.895 1.00 0.00 O ATOM 591 CB PHE A 35 2.168 0.153 -1.648 1.00 0.00 C ATOM 592 CG PHE A 35 2.080 0.646 -0.223 1.00 0.00 C ATOM 593 CD1 PHE A 35 2.683 -0.079 0.812 1.00 0.00 C ATOM 594 CD2 PHE A 35 1.385 1.827 0.062 1.00 0.00 C ATOM 595 CE1 PHE A 35 2.591 0.377 2.131 1.00 0.00 C ATOM 596 CE2 PHE A 35 1.295 2.284 1.382 1.00 0.00 C ATOM 597 CZ PHE A 35 1.897 1.559 2.416 1.00 0.00 C ATOM 0 H PHE A 35 3.162 0.201 -4.078 1.00 0.00 H new ATOM 0 HA PHE A 35 4.322 0.263 -1.274 1.00 0.00 H new ATOM 0 HB2 PHE A 35 1.742 0.894 -2.324 1.00 0.00 H new ATOM 0 HB3 PHE A 35 1.580 -0.758 -1.763 1.00 0.00 H new ATOM 0 HD1 PHE A 35 3.219 -0.990 0.592 1.00 0.00 H new ATOM 0 HD2 PHE A 35 0.918 2.385 -0.736 1.00 0.00 H new ATOM 0 HE1 PHE A 35 3.055 -0.183 2.930 1.00 0.00 H new ATOM 0 HE2 PHE A 35 0.761 3.196 1.602 1.00 0.00 H new ATOM 0 HZ PHE A 35 1.826 1.911 3.434 1.00 0.00 H new ATOM 607 N ILE A 36 4.834 -2.141 -1.420 1.00 0.00 N ATOM 608 CA ILE A 36 5.119 -3.605 -1.505 1.00 0.00 C ATOM 609 C ILE A 36 4.544 -4.310 -0.272 1.00 0.00 C ATOM 610 O ILE A 36 4.825 -3.947 0.855 1.00 0.00 O ATOM 611 CB ILE A 36 6.652 -3.718 -1.554 1.00 0.00 C ATOM 612 CG1 ILE A 36 7.135 -3.512 -2.997 1.00 0.00 C ATOM 613 CG2 ILE A 36 7.093 -5.105 -1.073 1.00 0.00 C ATOM 614 CD1 ILE A 36 7.032 -2.033 -3.378 1.00 0.00 C ATOM 0 H ILE A 36 5.425 -1.618 -0.773 1.00 0.00 H new ATOM 0 HA ILE A 36 4.666 -4.075 -2.378 1.00 0.00 H new ATOM 0 HB ILE A 36 7.083 -2.956 -0.905 1.00 0.00 H new ATOM 0 HG12 ILE A 36 8.166 -3.850 -3.096 1.00 0.00 H new ATOM 0 HG13 ILE A 36 6.535 -4.114 -3.679 1.00 0.00 H new ATOM 0 HG21 ILE A 36 8.180 -5.175 -1.112 1.00 0.00 H new ATOM 0 HG22 ILE A 36 6.756 -5.259 -0.048 1.00 0.00 H new ATOM 0 HG23 ILE A 36 6.657 -5.869 -1.717 1.00 0.00 H new ATOM 0 HD11 ILE A 36 7.377 -1.896 -4.403 1.00 0.00 H new ATOM 0 HD12 ILE A 36 5.995 -1.708 -3.298 1.00 0.00 H new ATOM 0 HD13 ILE A 36 7.651 -1.440 -2.705 1.00 0.00 H new ATOM 626 N GLY A 37 3.729 -5.310 -0.488 1.00 0.00 N ATOM 627 CA GLY A 37 3.112 -6.050 0.647 1.00 0.00 C ATOM 628 C GLY A 37 3.774 -7.419 0.799 1.00 0.00 C ATOM 629 O GLY A 37 3.993 -8.126 -0.165 1.00 0.00 O ATOM 0 H GLY A 37 3.463 -5.647 -1.413 1.00 0.00 H new ATOM 0 HA2 GLY A 37 3.224 -5.478 1.568 1.00 0.00 H new ATOM 0 HA3 GLY A 37 2.043 -6.171 0.475 1.00 0.00 H new ATOM 633 N TYR A 38 4.089 -7.794 2.008 1.00 0.00 N ATOM 634 CA TYR A 38 4.736 -9.117 2.254 1.00 0.00 C ATOM 635 C TYR A 38 3.840 -9.983 3.148 1.00 0.00 C ATOM 636 O TYR A 38 3.184 -9.488 4.047 1.00 0.00 O ATOM 637 CB TYR A 38 6.050 -8.789 2.970 1.00 0.00 C ATOM 638 CG TYR A 38 7.219 -9.252 2.134 1.00 0.00 C ATOM 639 CD1 TYR A 38 7.422 -10.620 1.905 1.00 0.00 C ATOM 640 CD2 TYR A 38 8.107 -8.313 1.592 1.00 0.00 C ATOM 641 CE1 TYR A 38 8.510 -11.047 1.136 1.00 0.00 C ATOM 642 CE2 TYR A 38 9.195 -8.742 0.822 1.00 0.00 C ATOM 643 CZ TYR A 38 9.396 -10.108 0.595 1.00 0.00 C ATOM 644 OH TYR A 38 10.468 -10.530 -0.161 1.00 0.00 O ATOM 0 H TYR A 38 3.925 -7.236 2.846 1.00 0.00 H new ATOM 0 HA TYR A 38 4.902 -9.674 1.332 1.00 0.00 H new ATOM 0 HB2 TYR A 38 6.120 -7.716 3.147 1.00 0.00 H new ATOM 0 HB3 TYR A 38 6.074 -9.275 3.945 1.00 0.00 H new ATOM 0 HD1 TYR A 38 6.738 -11.345 2.322 1.00 0.00 H new ATOM 0 HD2 TYR A 38 7.952 -7.259 1.768 1.00 0.00 H new ATOM 0 HE1 TYR A 38 8.666 -12.101 0.960 1.00 0.00 H new ATOM 0 HE2 TYR A 38 9.879 -8.019 0.403 1.00 0.00 H new ATOM 0 HH TYR A 38 10.146 -10.888 -1.014 1.00 0.00 H new ATOM 654 N LYS A 39 3.810 -11.270 2.906 1.00 0.00 N ATOM 655 CA LYS A 39 2.955 -12.178 3.740 1.00 0.00 C ATOM 656 C LYS A 39 3.491 -12.265 5.180 1.00 0.00 C ATOM 657 O LYS A 39 2.731 -12.406 6.120 1.00 0.00 O ATOM 658 CB LYS A 39 3.006 -13.550 3.047 1.00 0.00 C ATOM 659 CG LYS A 39 4.431 -14.122 3.081 1.00 0.00 C ATOM 660 CD LYS A 39 4.448 -15.491 2.395 1.00 0.00 C ATOM 661 CE LYS A 39 5.886 -15.863 2.019 1.00 0.00 C ATOM 662 NZ LYS A 39 5.851 -17.328 1.737 1.00 0.00 N ATOM 0 H LYS A 39 4.340 -11.733 2.168 1.00 0.00 H new ATOM 0 HA LYS A 39 1.932 -11.809 3.816 1.00 0.00 H new ATOM 0 HB2 LYS A 39 2.320 -14.238 3.541 1.00 0.00 H new ATOM 0 HB3 LYS A 39 2.672 -13.454 2.014 1.00 0.00 H new ATOM 0 HG2 LYS A 39 5.119 -13.443 2.578 1.00 0.00 H new ATOM 0 HG3 LYS A 39 4.772 -14.216 4.112 1.00 0.00 H new ATOM 0 HD2 LYS A 39 4.029 -16.247 3.059 1.00 0.00 H new ATOM 0 HD3 LYS A 39 3.823 -15.469 1.502 1.00 0.00 H new ATOM 0 HE2 LYS A 39 6.222 -15.302 1.147 1.00 0.00 H new ATOM 0 HE3 LYS A 39 6.577 -15.635 2.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 6.803 -17.653 1.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 5.534 -17.838 2.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 5.191 -17.515 0.955 1.00 0.00 H new ATOM 676 N GLU A 40 4.789 -12.183 5.356 1.00 0.00 N ATOM 677 CA GLU A 40 5.380 -12.263 6.728 1.00 0.00 C ATOM 678 C GLU A 40 6.808 -11.700 6.712 1.00 0.00 C ATOM 679 O GLU A 40 7.379 -11.493 5.659 1.00 0.00 O ATOM 680 CB GLU A 40 5.386 -13.761 7.066 1.00 0.00 C ATOM 681 CG GLU A 40 5.728 -13.980 8.548 1.00 0.00 C ATOM 682 CD GLU A 40 4.886 -13.052 9.434 1.00 0.00 C ATOM 683 OE1 GLU A 40 3.671 -13.145 9.377 1.00 0.00 O ATOM 684 OE2 GLU A 40 5.477 -12.264 10.155 1.00 0.00 O ATOM 0 H GLU A 40 5.467 -12.063 4.603 1.00 0.00 H new ATOM 0 HA GLU A 40 4.820 -11.686 7.463 1.00 0.00 H new ATOM 0 HB2 GLU A 40 4.410 -14.193 6.845 1.00 0.00 H new ATOM 0 HB3 GLU A 40 6.113 -14.278 6.439 1.00 0.00 H new ATOM 0 HG2 GLU A 40 5.544 -15.019 8.821 1.00 0.00 H new ATOM 0 HG3 GLU A 40 6.788 -13.790 8.715 1.00 0.00 H new ATOM 691 N ARG A 41 7.381 -11.452 7.871 1.00 0.00 N ATOM 692 CA ARG A 41 8.777 -10.898 7.943 1.00 0.00 C ATOM 693 C ARG A 41 9.727 -11.695 7.032 1.00 0.00 C ATOM 694 O ARG A 41 10.094 -12.810 7.351 1.00 0.00 O ATOM 695 CB ARG A 41 9.195 -11.065 9.409 1.00 0.00 C ATOM 696 CG ARG A 41 8.681 -9.873 10.224 1.00 0.00 C ATOM 697 CD ARG A 41 7.739 -10.366 11.328 1.00 0.00 C ATOM 698 NE ARG A 41 8.177 -9.646 12.562 1.00 0.00 N ATOM 699 CZ ARG A 41 9.178 -10.095 13.290 1.00 0.00 C ATOM 700 NH1 ARG A 41 9.832 -11.178 12.939 1.00 0.00 N ATOM 701 NH2 ARG A 41 9.529 -9.449 14.373 1.00 0.00 N ATOM 0 H ARG A 41 6.938 -11.611 8.776 1.00 0.00 H new ATOM 0 HA ARG A 41 8.817 -9.860 7.613 1.00 0.00 H new ATOM 0 HB2 ARG A 41 8.792 -11.995 9.810 1.00 0.00 H new ATOM 0 HB3 ARG A 41 10.280 -11.130 9.484 1.00 0.00 H new ATOM 0 HG2 ARG A 41 9.519 -9.333 10.663 1.00 0.00 H new ATOM 0 HG3 ARG A 41 8.157 -9.174 9.572 1.00 0.00 H new ATOM 0 HD2 ARG A 41 6.699 -10.142 11.089 1.00 0.00 H new ATOM 0 HD3 ARG A 41 7.811 -11.446 11.455 1.00 0.00 H new ATOM 0 HE ARG A 41 7.693 -8.794 12.845 1.00 0.00 H new ATOM 0 HH11 ARG A 41 9.567 -11.682 12.093 1.00 0.00 H new ATOM 0 HH12 ARG A 41 10.606 -11.515 13.512 1.00 0.00 H new ATOM 0 HH21 ARG A 41 9.028 -8.604 14.648 1.00 0.00 H new ATOM 0 HH22 ARG A 41 10.303 -9.791 14.942 1.00 0.00 H new ATOM 715 N PRO A 42 10.090 -11.097 5.919 1.00 0.00 N ATOM 716 CA PRO A 42 10.994 -11.764 4.956 1.00 0.00 C ATOM 717 C PRO A 42 12.463 -11.526 5.324 1.00 0.00 C ATOM 718 O PRO A 42 12.812 -10.504 5.888 1.00 0.00 O ATOM 719 CB PRO A 42 10.666 -11.084 3.637 1.00 0.00 C ATOM 720 CG PRO A 42 10.121 -9.731 4.001 1.00 0.00 C ATOM 721 CD PRO A 42 9.697 -9.764 5.451 1.00 0.00 C ATOM 0 HA PRO A 42 10.859 -12.845 4.932 1.00 0.00 H new ATOM 0 HB2 PRO A 42 11.554 -10.993 3.012 1.00 0.00 H new ATOM 0 HB3 PRO A 42 9.935 -11.661 3.070 1.00 0.00 H new ATOM 0 HG2 PRO A 42 10.878 -8.962 3.844 1.00 0.00 H new ATOM 0 HG3 PRO A 42 9.274 -9.479 3.363 1.00 0.00 H new ATOM 0 HD2 PRO A 42 10.190 -8.980 6.026 1.00 0.00 H new ATOM 0 HD3 PRO A 42 8.623 -9.608 5.554 1.00 0.00 H new ATOM 729 N GLU A 43 13.321 -12.457 4.990 1.00 0.00 N ATOM 730 CA GLU A 43 14.776 -12.299 5.295 1.00 0.00 C ATOM 731 C GLU A 43 15.575 -13.430 4.635 1.00 0.00 C ATOM 732 O GLU A 43 16.522 -13.185 3.909 1.00 0.00 O ATOM 733 CB GLU A 43 14.884 -12.383 6.823 1.00 0.00 C ATOM 734 CG GLU A 43 16.346 -12.212 7.252 1.00 0.00 C ATOM 735 CD GLU A 43 16.669 -13.204 8.370 1.00 0.00 C ATOM 736 OE1 GLU A 43 17.027 -14.328 8.055 1.00 0.00 O ATOM 737 OE2 GLU A 43 16.550 -12.825 9.524 1.00 0.00 O ATOM 0 H GLU A 43 13.074 -13.326 4.516 1.00 0.00 H new ATOM 0 HA GLU A 43 15.176 -11.359 4.916 1.00 0.00 H new ATOM 0 HB2 GLU A 43 14.268 -11.610 7.283 1.00 0.00 H new ATOM 0 HB3 GLU A 43 14.503 -13.343 7.171 1.00 0.00 H new ATOM 0 HG2 GLU A 43 17.007 -12.378 6.402 1.00 0.00 H new ATOM 0 HG3 GLU A 43 16.518 -11.192 7.595 1.00 0.00 H new ATOM 744 N ALA A 44 15.188 -14.664 4.888 1.00 0.00 N ATOM 745 CA ALA A 44 15.899 -15.849 4.297 1.00 0.00 C ATOM 746 C ALA A 44 17.330 -15.966 4.851 1.00 0.00 C ATOM 747 O ALA A 44 17.968 -14.973 5.144 1.00 0.00 O ATOM 748 CB ALA A 44 15.920 -15.614 2.784 1.00 0.00 C ATOM 0 H ALA A 44 14.398 -14.902 5.488 1.00 0.00 H new ATOM 0 HA ALA A 44 15.393 -16.781 4.550 1.00 0.00 H new ATOM 0 HB1 ALA A 44 16.426 -16.445 2.294 1.00 0.00 H new ATOM 0 HB2 ALA A 44 14.898 -15.542 2.413 1.00 0.00 H new ATOM 0 HB3 ALA A 44 16.451 -14.687 2.567 1.00 0.00 H new ATOM 754 N PRO A 45 17.791 -17.188 4.979 1.00 0.00 N ATOM 755 CA PRO A 45 19.160 -17.435 5.506 1.00 0.00 C ATOM 756 C PRO A 45 20.228 -17.052 4.468 1.00 0.00 C ATOM 757 O PRO A 45 21.287 -16.563 4.813 1.00 0.00 O ATOM 758 CB PRO A 45 19.175 -18.939 5.774 1.00 0.00 C ATOM 759 CG PRO A 45 18.138 -19.509 4.859 1.00 0.00 C ATOM 760 CD PRO A 45 17.094 -18.441 4.652 1.00 0.00 C ATOM 0 HA PRO A 45 19.384 -16.843 6.393 1.00 0.00 H new ATOM 0 HB2 PRO A 45 20.157 -19.366 5.571 1.00 0.00 H new ATOM 0 HB3 PRO A 45 18.943 -19.156 6.817 1.00 0.00 H new ATOM 0 HG2 PRO A 45 18.583 -19.802 3.908 1.00 0.00 H new ATOM 0 HG3 PRO A 45 17.692 -20.404 5.292 1.00 0.00 H new ATOM 0 HD2 PRO A 45 16.727 -18.436 3.626 1.00 0.00 H new ATOM 0 HD3 PRO A 45 16.231 -18.597 5.299 1.00 0.00 H new ATOM 768 N ASP A 46 19.956 -17.278 3.204 1.00 0.00 N ATOM 769 CA ASP A 46 20.955 -16.936 2.140 1.00 0.00 C ATOM 770 C ASP A 46 20.269 -16.883 0.766 1.00 0.00 C ATOM 771 O ASP A 46 20.756 -17.435 -0.203 1.00 0.00 O ATOM 772 CB ASP A 46 22.001 -18.065 2.184 1.00 0.00 C ATOM 773 CG ASP A 46 21.315 -19.424 2.392 1.00 0.00 C ATOM 774 OD1 ASP A 46 20.571 -19.834 1.516 1.00 0.00 O ATOM 775 OD2 ASP A 46 21.547 -20.028 3.426 1.00 0.00 O ATOM 0 H ASP A 46 19.085 -17.685 2.863 1.00 0.00 H new ATOM 0 HA ASP A 46 21.412 -15.960 2.304 1.00 0.00 H new ATOM 0 HB2 ASP A 46 22.572 -18.077 1.255 1.00 0.00 H new ATOM 0 HB3 ASP A 46 22.710 -17.881 2.991 1.00 0.00 H new ATOM 780 N GLN A 47 19.143 -16.219 0.678 1.00 0.00 N ATOM 781 CA GLN A 47 18.421 -16.126 -0.621 1.00 0.00 C ATOM 782 C GLN A 47 17.391 -14.997 -0.556 1.00 0.00 C ATOM 783 O GLN A 47 16.319 -15.156 -0.004 1.00 0.00 O ATOM 784 CB GLN A 47 17.728 -17.484 -0.795 1.00 0.00 C ATOM 785 CG GLN A 47 16.781 -17.435 -1.999 1.00 0.00 C ATOM 786 CD GLN A 47 15.953 -18.722 -2.051 1.00 0.00 C ATOM 787 OE1 GLN A 47 16.482 -19.789 -2.293 1.00 0.00 O ATOM 788 NE2 GLN A 47 14.667 -18.668 -1.832 1.00 0.00 N ATOM 0 H GLN A 47 18.694 -15.736 1.456 1.00 0.00 H new ATOM 0 HA GLN A 47 19.087 -15.908 -1.455 1.00 0.00 H new ATOM 0 HB2 GLN A 47 18.473 -18.267 -0.939 1.00 0.00 H new ATOM 0 HB3 GLN A 47 17.171 -17.736 0.107 1.00 0.00 H new ATOM 0 HG2 GLN A 47 16.123 -16.570 -1.922 1.00 0.00 H new ATOM 0 HG3 GLN A 47 17.352 -17.320 -2.920 1.00 0.00 H new ATOM 0 HE21 GLN A 47 14.221 -17.773 -1.629 1.00 0.00 H new ATOM 0 HE22 GLN A 47 14.108 -19.521 -1.864 1.00 0.00 H new ATOM 797 N THR A 48 17.712 -13.861 -1.116 1.00 0.00 N ATOM 798 CA THR A 48 16.755 -12.707 -1.101 1.00 0.00 C ATOM 799 C THR A 48 15.403 -13.132 -1.698 1.00 0.00 C ATOM 800 O THR A 48 15.335 -13.999 -2.550 1.00 0.00 O ATOM 801 CB THR A 48 17.418 -11.618 -1.957 1.00 0.00 C ATOM 802 OG1 THR A 48 16.497 -10.560 -2.181 1.00 0.00 O ATOM 803 CG2 THR A 48 17.856 -12.208 -3.299 1.00 0.00 C ATOM 0 H THR A 48 18.599 -13.678 -1.586 1.00 0.00 H new ATOM 0 HA THR A 48 16.553 -12.351 -0.091 1.00 0.00 H new ATOM 0 HB THR A 48 18.292 -11.233 -1.432 1.00 0.00 H new ATOM 0 HG1 THR A 48 16.923 -9.866 -2.726 1.00 0.00 H new ATOM 0 HG21 THR A 48 18.326 -11.431 -3.902 1.00 0.00 H new ATOM 0 HG22 THR A 48 18.569 -13.014 -3.127 1.00 0.00 H new ATOM 0 HG23 THR A 48 16.986 -12.600 -3.826 1.00 0.00 H new ATOM 811 N LEU A 49 14.332 -12.536 -1.242 1.00 0.00 N ATOM 812 CA LEU A 49 12.981 -12.912 -1.764 1.00 0.00 C ATOM 813 C LEU A 49 12.292 -11.710 -2.426 1.00 0.00 C ATOM 814 O LEU A 49 12.463 -10.583 -1.999 1.00 0.00 O ATOM 815 CB LEU A 49 12.195 -13.363 -0.530 1.00 0.00 C ATOM 816 CG LEU A 49 12.552 -14.815 -0.196 1.00 0.00 C ATOM 817 CD1 LEU A 49 12.512 -15.020 1.321 1.00 0.00 C ATOM 818 CD2 LEU A 49 11.544 -15.754 -0.864 1.00 0.00 C ATOM 0 H LEU A 49 14.333 -11.805 -0.531 1.00 0.00 H new ATOM 0 HA LEU A 49 13.043 -13.690 -2.525 1.00 0.00 H new ATOM 0 HB2 LEU A 49 12.426 -12.717 0.317 1.00 0.00 H new ATOM 0 HB3 LEU A 49 11.125 -13.274 -0.716 1.00 0.00 H new ATOM 0 HG LEU A 49 13.555 -15.034 -0.563 1.00 0.00 H new ATOM 0 HD11 LEU A 49 12.766 -16.054 1.555 1.00 0.00 H new ATOM 0 HD12 LEU A 49 13.230 -14.353 1.797 1.00 0.00 H new ATOM 0 HD13 LEU A 49 11.511 -14.800 1.692 1.00 0.00 H new ATOM 0 HD21 LEU A 49 11.797 -16.787 -0.627 1.00 0.00 H new ATOM 0 HD22 LEU A 49 10.542 -15.532 -0.497 1.00 0.00 H new ATOM 0 HD23 LEU A 49 11.575 -15.612 -1.944 1.00 0.00 H new ATOM 830 N PRO A 50 11.520 -11.999 -3.447 1.00 0.00 N ATOM 831 CA PRO A 50 10.780 -10.936 -4.170 1.00 0.00 C ATOM 832 C PRO A 50 9.554 -10.497 -3.352 1.00 0.00 C ATOM 833 O PRO A 50 9.139 -11.192 -2.443 1.00 0.00 O ATOM 834 CB PRO A 50 10.354 -11.615 -5.469 1.00 0.00 C ATOM 835 CG PRO A 50 10.310 -13.078 -5.154 1.00 0.00 C ATOM 836 CD PRO A 50 11.270 -13.330 -4.020 1.00 0.00 C ATOM 0 HA PRO A 50 11.372 -10.037 -4.343 1.00 0.00 H new ATOM 0 HB2 PRO A 50 9.380 -11.255 -5.800 1.00 0.00 H new ATOM 0 HB3 PRO A 50 11.061 -11.407 -6.272 1.00 0.00 H new ATOM 0 HG2 PRO A 50 9.300 -13.379 -4.875 1.00 0.00 H new ATOM 0 HG3 PRO A 50 10.588 -13.666 -6.029 1.00 0.00 H new ATOM 0 HD2 PRO A 50 10.842 -14.007 -3.280 1.00 0.00 H new ATOM 0 HD3 PRO A 50 12.193 -13.789 -4.375 1.00 0.00 H new ATOM 844 N PRO A 51 9.008 -9.358 -3.704 1.00 0.00 N ATOM 845 CA PRO A 51 7.816 -8.830 -2.984 1.00 0.00 C ATOM 846 C PRO A 51 6.589 -9.719 -3.236 1.00 0.00 C ATOM 847 O PRO A 51 6.410 -10.255 -4.314 1.00 0.00 O ATOM 848 CB PRO A 51 7.627 -7.436 -3.580 1.00 0.00 C ATOM 849 CG PRO A 51 8.279 -7.503 -4.922 1.00 0.00 C ATOM 850 CD PRO A 51 9.429 -8.465 -4.792 1.00 0.00 C ATOM 0 HA PRO A 51 7.943 -8.808 -1.902 1.00 0.00 H new ATOM 0 HB2 PRO A 51 6.570 -7.182 -3.666 1.00 0.00 H new ATOM 0 HB3 PRO A 51 8.088 -6.672 -2.954 1.00 0.00 H new ATOM 0 HG2 PRO A 51 7.573 -7.843 -5.680 1.00 0.00 H new ATOM 0 HG3 PRO A 51 8.630 -6.519 -5.232 1.00 0.00 H new ATOM 0 HD2 PRO A 51 9.600 -9.014 -5.718 1.00 0.00 H new ATOM 0 HD3 PRO A 51 10.358 -7.949 -4.551 1.00 0.00 H new ATOM 858 N LEU A 52 5.747 -9.883 -2.243 1.00 0.00 N ATOM 859 CA LEU A 52 4.532 -10.742 -2.414 1.00 0.00 C ATOM 860 C LEU A 52 3.413 -9.945 -3.097 1.00 0.00 C ATOM 861 O LEU A 52 2.769 -10.423 -4.012 1.00 0.00 O ATOM 862 CB LEU A 52 4.120 -11.145 -0.989 1.00 0.00 C ATOM 863 CG LEU A 52 3.775 -12.640 -0.932 1.00 0.00 C ATOM 864 CD1 LEU A 52 2.659 -12.955 -1.930 1.00 0.00 C ATOM 865 CD2 LEU A 52 5.016 -13.472 -1.273 1.00 0.00 C ATOM 0 H LEU A 52 5.849 -9.459 -1.321 1.00 0.00 H new ATOM 0 HA LEU A 52 4.727 -11.613 -3.039 1.00 0.00 H new ATOM 0 HB2 LEU A 52 4.931 -10.926 -0.294 1.00 0.00 H new ATOM 0 HB3 LEU A 52 3.260 -10.555 -0.672 1.00 0.00 H new ATOM 0 HG LEU A 52 3.438 -12.888 0.075 1.00 0.00 H new ATOM 0 HD11 LEU A 52 2.419 -14.017 -1.884 1.00 0.00 H new ATOM 0 HD12 LEU A 52 1.773 -12.372 -1.681 1.00 0.00 H new ATOM 0 HD13 LEU A 52 2.989 -12.701 -2.937 1.00 0.00 H new ATOM 0 HD21 LEU A 52 4.766 -14.532 -1.231 1.00 0.00 H new ATOM 0 HD22 LEU A 52 5.359 -13.219 -2.276 1.00 0.00 H new ATOM 0 HD23 LEU A 52 5.807 -13.257 -0.554 1.00 0.00 H new ATOM 877 N ASN A 53 3.181 -8.734 -2.655 1.00 0.00 N ATOM 878 CA ASN A 53 2.110 -7.891 -3.269 1.00 0.00 C ATOM 879 C ASN A 53 2.709 -6.568 -3.753 1.00 0.00 C ATOM 880 O ASN A 53 3.513 -5.959 -3.073 1.00 0.00 O ATOM 881 CB ASN A 53 1.099 -7.647 -2.143 1.00 0.00 C ATOM 882 CG ASN A 53 -0.174 -8.458 -2.406 1.00 0.00 C ATOM 883 OD1 ASN A 53 -1.245 -7.899 -2.544 1.00 0.00 O ATOM 884 ND2 ASN A 53 -0.105 -9.761 -2.479 1.00 0.00 N ATOM 0 H ASN A 53 3.691 -8.291 -1.891 1.00 0.00 H new ATOM 0 HA ASN A 53 1.644 -8.369 -4.131 1.00 0.00 H new ATOM 0 HB2 ASN A 53 1.532 -7.933 -1.184 1.00 0.00 H new ATOM 0 HB3 ASN A 53 0.859 -6.586 -2.081 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -0.949 -10.308 -2.652 1.00 0.00 H new ATOM 0 HD22 ASN A 53 0.793 -10.231 -2.363 1.00 0.00 H new ATOM 891 N ASN A 54 2.333 -6.118 -4.922 1.00 0.00 N ATOM 892 CA ASN A 54 2.892 -4.831 -5.442 1.00 0.00 C ATOM 893 C ASN A 54 1.766 -3.824 -5.711 1.00 0.00 C ATOM 894 O ASN A 54 0.782 -4.135 -6.355 1.00 0.00 O ATOM 895 CB ASN A 54 3.610 -5.206 -6.741 1.00 0.00 C ATOM 896 CG ASN A 54 5.093 -5.454 -6.449 1.00 0.00 C ATOM 897 OD1 ASN A 54 5.458 -6.489 -5.927 1.00 0.00 O ATOM 898 ND2 ASN A 54 5.969 -4.539 -6.763 1.00 0.00 N ATOM 0 H ASN A 54 1.666 -6.583 -5.538 1.00 0.00 H new ATOM 0 HA ASN A 54 3.566 -4.357 -4.728 1.00 0.00 H new ATOM 0 HB2 ASN A 54 3.159 -6.099 -7.174 1.00 0.00 H new ATOM 0 HB3 ASN A 54 3.501 -4.406 -7.474 1.00 0.00 H new ATOM 0 HD21 ASN A 54 6.959 -4.693 -6.570 1.00 0.00 H new ATOM 0 HD22 ASN A 54 5.664 -3.670 -7.201 1.00 0.00 H new ATOM 905 N PHE A 55 1.910 -2.621 -5.211 1.00 0.00 N ATOM 906 CA PHE A 55 0.858 -1.577 -5.418 1.00 0.00 C ATOM 907 C PHE A 55 1.477 -0.300 -6.004 1.00 0.00 C ATOM 908 O PHE A 55 2.641 -0.015 -5.798 1.00 0.00 O ATOM 909 CB PHE A 55 0.296 -1.302 -4.019 1.00 0.00 C ATOM 910 CG PHE A 55 -1.038 -1.990 -3.861 1.00 0.00 C ATOM 911 CD1 PHE A 55 -1.095 -3.317 -3.418 1.00 0.00 C ATOM 912 CD2 PHE A 55 -2.220 -1.300 -4.157 1.00 0.00 C ATOM 913 CE1 PHE A 55 -2.332 -3.954 -3.272 1.00 0.00 C ATOM 914 CE2 PHE A 55 -3.456 -1.937 -4.012 1.00 0.00 C ATOM 915 CZ PHE A 55 -3.513 -3.265 -3.569 1.00 0.00 C ATOM 0 H PHE A 55 2.716 -2.316 -4.665 1.00 0.00 H new ATOM 0 HA PHE A 55 0.087 -1.904 -6.116 1.00 0.00 H new ATOM 0 HB2 PHE A 55 0.992 -1.660 -3.260 1.00 0.00 H new ATOM 0 HB3 PHE A 55 0.182 -0.229 -3.867 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -0.184 -3.849 -3.189 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -2.177 -0.276 -4.497 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -2.375 -4.978 -2.930 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -4.367 -1.405 -4.242 1.00 0.00 H new ATOM 0 HZ PHE A 55 -4.468 -3.757 -3.457 1.00 0.00 H new ATOM 925 N SER A 56 0.701 0.474 -6.724 1.00 0.00 N ATOM 926 CA SER A 56 1.234 1.740 -7.317 1.00 0.00 C ATOM 927 C SER A 56 0.420 2.937 -6.806 1.00 0.00 C ATOM 928 O SER A 56 -0.792 2.960 -6.907 1.00 0.00 O ATOM 929 CB SER A 56 1.066 1.578 -8.829 1.00 0.00 C ATOM 930 OG SER A 56 2.031 0.650 -9.312 1.00 0.00 O ATOM 0 H SER A 56 -0.280 0.283 -6.927 1.00 0.00 H new ATOM 0 HA SER A 56 2.274 1.920 -7.046 1.00 0.00 H new ATOM 0 HB2 SER A 56 0.060 1.227 -9.059 1.00 0.00 H new ATOM 0 HB3 SER A 56 1.190 2.540 -9.326 1.00 0.00 H new ATOM 0 HG SER A 56 1.925 0.542 -10.280 1.00 0.00 H new ATOM 936 N VAL A 57 1.079 3.925 -6.249 1.00 0.00 N ATOM 937 CA VAL A 57 0.342 5.118 -5.718 1.00 0.00 C ATOM 938 C VAL A 57 0.790 6.411 -6.432 1.00 0.00 C ATOM 939 O VAL A 57 0.747 7.489 -5.865 1.00 0.00 O ATOM 940 CB VAL A 57 0.681 5.147 -4.217 1.00 0.00 C ATOM 941 CG1 VAL A 57 2.099 5.688 -3.997 1.00 0.00 C ATOM 942 CG2 VAL A 57 -0.325 6.038 -3.484 1.00 0.00 C ATOM 0 H VAL A 57 2.092 3.958 -6.139 1.00 0.00 H new ATOM 0 HA VAL A 57 -0.733 5.053 -5.888 1.00 0.00 H new ATOM 0 HB VAL A 57 0.629 4.131 -3.826 1.00 0.00 H new ATOM 0 HG11 VAL A 57 2.322 5.702 -2.930 1.00 0.00 H new ATOM 0 HG12 VAL A 57 2.816 5.047 -4.509 1.00 0.00 H new ATOM 0 HG13 VAL A 57 2.168 6.700 -4.395 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -0.085 6.059 -2.421 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -0.276 7.050 -3.887 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -1.331 5.641 -3.622 1.00 0.00 H new ATOM 952 N ALA A 58 1.202 6.315 -7.674 1.00 0.00 N ATOM 953 CA ALA A 58 1.632 7.539 -8.420 1.00 0.00 C ATOM 954 C ALA A 58 0.400 8.278 -8.957 1.00 0.00 C ATOM 955 O ALA A 58 0.182 9.437 -8.656 1.00 0.00 O ATOM 956 CB ALA A 58 2.500 7.024 -9.572 1.00 0.00 C ATOM 0 H ALA A 58 1.259 5.444 -8.202 1.00 0.00 H new ATOM 0 HA ALA A 58 2.179 8.241 -7.790 1.00 0.00 H new ATOM 0 HB1 ALA A 58 2.854 7.867 -10.166 1.00 0.00 H new ATOM 0 HB2 ALA A 58 3.354 6.480 -9.169 1.00 0.00 H new ATOM 0 HB3 ALA A 58 1.911 6.358 -10.202 1.00 0.00 H new ATOM 962 N GLU A 59 -0.411 7.609 -9.740 1.00 0.00 N ATOM 963 CA GLU A 59 -1.641 8.257 -10.297 1.00 0.00 C ATOM 964 C GLU A 59 -2.899 7.533 -9.785 1.00 0.00 C ATOM 965 O GLU A 59 -3.822 7.266 -10.532 1.00 0.00 O ATOM 966 CB GLU A 59 -1.510 8.124 -11.823 1.00 0.00 C ATOM 967 CG GLU A 59 -1.444 6.644 -12.224 1.00 0.00 C ATOM 968 CD GLU A 59 -0.110 6.355 -12.918 1.00 0.00 C ATOM 969 OE1 GLU A 59 0.888 6.254 -12.223 1.00 0.00 O ATOM 970 OE2 GLU A 59 -0.108 6.238 -14.133 1.00 0.00 O ATOM 0 H GLU A 59 -0.274 6.638 -10.019 1.00 0.00 H new ATOM 0 HA GLU A 59 -1.735 9.300 -9.994 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -2.359 8.603 -12.311 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -0.613 8.641 -12.164 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -1.550 6.013 -11.341 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -2.272 6.401 -12.890 1.00 0.00 H new ATOM 977 N CYS A 60 -2.938 7.215 -8.512 1.00 0.00 N ATOM 978 CA CYS A 60 -4.127 6.509 -7.946 1.00 0.00 C ATOM 979 C CYS A 60 -4.831 7.391 -6.909 1.00 0.00 C ATOM 980 O CYS A 60 -4.224 8.249 -6.294 1.00 0.00 O ATOM 981 CB CYS A 60 -3.562 5.249 -7.280 1.00 0.00 C ATOM 982 SG CYS A 60 -4.613 3.830 -7.674 1.00 0.00 S ATOM 0 H CYS A 60 -2.196 7.415 -7.842 1.00 0.00 H new ATOM 0 HA CYS A 60 -4.865 6.272 -8.712 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -2.544 5.068 -7.626 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -3.511 5.388 -6.200 1.00 0.00 H new ATOM 987 N GLN A 61 -6.108 7.177 -6.704 1.00 0.00 N ATOM 988 CA GLN A 61 -6.857 7.993 -5.700 1.00 0.00 C ATOM 989 C GLN A 61 -6.886 7.262 -4.352 1.00 0.00 C ATOM 990 O GLN A 61 -6.958 6.050 -4.299 1.00 0.00 O ATOM 991 CB GLN A 61 -8.273 8.129 -6.268 1.00 0.00 C ATOM 992 CG GLN A 61 -9.025 9.223 -5.502 1.00 0.00 C ATOM 993 CD GLN A 61 -10.455 9.338 -6.033 1.00 0.00 C ATOM 994 OE1 GLN A 61 -10.883 10.403 -6.433 1.00 0.00 O ATOM 995 NE2 GLN A 61 -11.220 8.280 -6.056 1.00 0.00 N ATOM 0 H GLN A 61 -6.663 6.472 -7.189 1.00 0.00 H new ATOM 0 HA GLN A 61 -6.396 8.966 -5.530 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -8.229 8.377 -7.329 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -8.803 7.180 -6.184 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -9.040 8.989 -4.437 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -8.509 10.177 -5.612 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -10.863 7.385 -5.721 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -12.174 8.348 -6.409 1.00 0.00 H new ATOM 1004 N LEU A 62 -6.831 7.993 -3.265 1.00 0.00 N ATOM 1005 CA LEU A 62 -6.854 7.347 -1.916 1.00 0.00 C ATOM 1006 C LEU A 62 -8.063 7.835 -1.107 1.00 0.00 C ATOM 1007 O LEU A 62 -8.444 8.988 -1.177 1.00 0.00 O ATOM 1008 CB LEU A 62 -5.547 7.783 -1.241 1.00 0.00 C ATOM 1009 CG LEU A 62 -4.674 6.559 -0.934 1.00 0.00 C ATOM 1010 CD1 LEU A 62 -5.459 5.557 -0.082 1.00 0.00 C ATOM 1011 CD2 LEU A 62 -4.246 5.891 -2.244 1.00 0.00 C ATOM 0 H LEU A 62 -6.771 9.011 -3.254 1.00 0.00 H new ATOM 0 HA LEU A 62 -6.937 6.262 -1.985 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -5.006 8.471 -1.891 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -5.767 8.322 -0.319 1.00 0.00 H new ATOM 0 HG LEU A 62 -3.790 6.882 -0.384 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -4.832 4.691 0.131 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -5.756 6.030 0.854 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -6.348 5.236 -0.625 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -3.626 5.022 -2.024 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -5.130 5.575 -2.797 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -3.676 6.600 -2.845 1.00 0.00 H new ATOM 1023 N MET A 63 -8.666 6.959 -0.340 1.00 0.00 N ATOM 1024 CA MET A 63 -9.852 7.356 0.479 1.00 0.00 C ATOM 1025 C MET A 63 -9.845 6.615 1.824 1.00 0.00 C ATOM 1026 O MET A 63 -9.379 5.498 1.922 1.00 0.00 O ATOM 1027 CB MET A 63 -11.065 6.938 -0.360 1.00 0.00 C ATOM 1028 CG MET A 63 -12.356 7.211 0.417 1.00 0.00 C ATOM 1029 SD MET A 63 -13.753 6.457 -0.451 1.00 0.00 S ATOM 1030 CE MET A 63 -14.071 5.135 0.744 1.00 0.00 C ATOM 0 H MET A 63 -8.386 5.983 -0.246 1.00 0.00 H new ATOM 0 HA MET A 63 -9.859 8.422 0.708 1.00 0.00 H new ATOM 0 HB2 MET A 63 -11.074 7.488 -1.301 1.00 0.00 H new ATOM 0 HB3 MET A 63 -10.998 5.879 -0.610 1.00 0.00 H new ATOM 0 HG2 MET A 63 -12.279 6.805 1.426 1.00 0.00 H new ATOM 0 HG3 MET A 63 -12.513 8.285 0.517 1.00 0.00 H new ATOM 0 HE1 MET A 63 -14.565 4.303 0.243 1.00 0.00 H new ATOM 0 HE2 MET A 63 -13.127 4.794 1.169 1.00 0.00 H new ATOM 0 HE3 MET A 63 -14.712 5.511 1.541 1.00 0.00 H new ATOM 1040 N LYS A 64 -10.374 7.225 2.856 1.00 0.00 N ATOM 1041 CA LYS A 64 -10.415 6.550 4.192 1.00 0.00 C ATOM 1042 C LYS A 64 -11.840 6.066 4.477 1.00 0.00 C ATOM 1043 O LYS A 64 -12.803 6.722 4.126 1.00 0.00 O ATOM 1044 CB LYS A 64 -10.003 7.624 5.207 1.00 0.00 C ATOM 1045 CG LYS A 64 -8.517 7.959 5.035 1.00 0.00 C ATOM 1046 CD LYS A 64 -8.361 9.127 4.056 1.00 0.00 C ATOM 1047 CE LYS A 64 -8.017 10.405 4.829 1.00 0.00 C ATOM 1048 NZ LYS A 64 -6.530 10.523 4.770 1.00 0.00 N ATOM 0 H LYS A 64 -10.779 8.161 2.832 1.00 0.00 H new ATOM 0 HA LYS A 64 -9.756 5.683 4.238 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -10.606 8.521 5.066 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -10.190 7.270 6.221 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -8.079 8.219 5.999 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -7.978 7.087 4.665 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -7.576 8.906 3.332 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -9.284 9.268 3.493 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -8.497 11.275 4.381 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -8.365 10.345 5.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -6.266 11.519 4.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -6.119 10.181 5.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -6.167 9.951 3.981 1.00 0.00 H new ATOM 1062 N THR A 65 -11.987 4.922 5.097 1.00 0.00 N ATOM 1063 CA THR A 65 -13.358 4.401 5.389 1.00 0.00 C ATOM 1064 C THR A 65 -13.344 3.464 6.608 1.00 0.00 C ATOM 1065 O THR A 65 -12.301 3.042 7.073 1.00 0.00 O ATOM 1066 CB THR A 65 -13.773 3.646 4.116 1.00 0.00 C ATOM 1067 OG1 THR A 65 -14.954 2.894 4.368 1.00 0.00 O ATOM 1068 CG2 THR A 65 -12.649 2.701 3.677 1.00 0.00 C ATOM 0 H THR A 65 -11.220 4.328 5.413 1.00 0.00 H new ATOM 0 HA THR A 65 -14.056 5.201 5.634 1.00 0.00 H new ATOM 0 HB THR A 65 -13.964 4.368 3.322 1.00 0.00 H new ATOM 0 HG1 THR A 65 -15.217 2.415 3.554 1.00 0.00 H new ATOM 0 HG21 THR A 65 -12.952 2.170 2.774 1.00 0.00 H new ATOM 0 HG22 THR A 65 -11.747 3.278 3.473 1.00 0.00 H new ATOM 0 HG23 THR A 65 -12.448 1.982 4.471 1.00 0.00 H new ATOM 1076 N GLU A 66 -14.507 3.138 7.118 1.00 0.00 N ATOM 1077 CA GLU A 66 -14.597 2.224 8.300 1.00 0.00 C ATOM 1078 C GLU A 66 -15.360 0.943 7.921 1.00 0.00 C ATOM 1079 O GLU A 66 -15.906 0.259 8.766 1.00 0.00 O ATOM 1080 CB GLU A 66 -15.366 3.019 9.360 1.00 0.00 C ATOM 1081 CG GLU A 66 -14.636 4.334 9.641 1.00 0.00 C ATOM 1082 CD GLU A 66 -15.017 4.846 11.032 1.00 0.00 C ATOM 1083 OE1 GLU A 66 -16.123 5.342 11.180 1.00 0.00 O ATOM 1084 OE2 GLU A 66 -14.194 4.736 11.927 1.00 0.00 O ATOM 0 H GLU A 66 -15.404 3.468 6.763 1.00 0.00 H new ATOM 0 HA GLU A 66 -13.616 1.913 8.660 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -16.380 3.220 9.014 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -15.452 2.435 10.277 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -13.558 4.183 9.581 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -14.897 5.075 8.886 1.00 0.00 H new ATOM 1091 N ARG A 67 -15.393 0.617 6.650 1.00 0.00 N ATOM 1092 CA ARG A 67 -16.109 -0.613 6.189 1.00 0.00 C ATOM 1093 C ARG A 67 -15.190 -1.426 5.261 1.00 0.00 C ATOM 1094 O ARG A 67 -14.475 -0.853 4.462 1.00 0.00 O ATOM 1095 CB ARG A 67 -17.327 -0.092 5.420 1.00 0.00 C ATOM 1096 CG ARG A 67 -18.282 -1.251 5.119 1.00 0.00 C ATOM 1097 CD ARG A 67 -19.350 -0.795 4.120 1.00 0.00 C ATOM 1098 NE ARG A 67 -19.193 -1.704 2.941 1.00 0.00 N ATOM 1099 CZ ARG A 67 -18.423 -1.376 1.922 1.00 0.00 C ATOM 1100 NH1 ARG A 67 -17.753 -0.248 1.913 1.00 0.00 N ATOM 1101 NH2 ARG A 67 -18.318 -2.194 0.905 1.00 0.00 N ATOM 0 H ARG A 67 -14.950 1.157 5.907 1.00 0.00 H new ATOM 0 HA ARG A 67 -16.399 -1.267 7.011 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -17.839 0.671 6.005 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -17.008 0.380 4.491 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -17.727 -2.096 4.712 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -18.754 -1.594 6.040 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -20.349 -0.873 4.548 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -19.205 0.247 3.836 1.00 0.00 H new ATOM 0 HE ARG A 67 -19.691 -2.594 2.926 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -17.823 0.393 2.704 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -17.163 -0.012 1.116 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -18.829 -3.076 0.905 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -17.725 -1.949 0.112 1.00 0.00 H new ATOM 1115 N PRO A 68 -15.226 -2.737 5.388 1.00 0.00 N ATOM 1116 CA PRO A 68 -16.114 -3.419 6.377 1.00 0.00 C ATOM 1117 C PRO A 68 -15.601 -3.249 7.819 1.00 0.00 C ATOM 1118 O PRO A 68 -16.357 -3.367 8.764 1.00 0.00 O ATOM 1119 CB PRO A 68 -16.051 -4.885 5.957 1.00 0.00 C ATOM 1120 CG PRO A 68 -14.747 -5.031 5.241 1.00 0.00 C ATOM 1121 CD PRO A 68 -14.438 -3.701 4.610 1.00 0.00 C ATOM 0 HA PRO A 68 -17.124 -3.009 6.378 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -16.101 -5.545 6.823 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -16.888 -5.145 5.309 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -13.957 -5.321 5.934 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -14.809 -5.812 4.483 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -13.373 -3.475 4.659 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -14.719 -3.686 3.557 1.00 0.00 H new ATOM 1129 N ARG A 69 -14.331 -2.974 7.994 1.00 0.00 N ATOM 1130 CA ARG A 69 -13.778 -2.797 9.373 1.00 0.00 C ATOM 1131 C ARG A 69 -13.250 -1.366 9.554 1.00 0.00 C ATOM 1132 O ARG A 69 -13.060 -0.651 8.589 1.00 0.00 O ATOM 1133 CB ARG A 69 -12.640 -3.816 9.480 1.00 0.00 C ATOM 1134 CG ARG A 69 -13.018 -4.914 10.477 1.00 0.00 C ATOM 1135 CD ARG A 69 -11.779 -5.752 10.808 1.00 0.00 C ATOM 1136 NE ARG A 69 -11.354 -5.299 12.171 1.00 0.00 N ATOM 1137 CZ ARG A 69 -10.119 -4.900 12.416 1.00 0.00 C ATOM 1138 NH1 ARG A 69 -9.204 -4.881 11.472 1.00 0.00 N ATOM 1139 NH2 ARG A 69 -9.800 -4.523 13.629 1.00 0.00 N ATOM 0 H ARG A 69 -13.653 -2.864 7.240 1.00 0.00 H new ATOM 0 HA ARG A 69 -14.532 -2.952 10.145 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -12.439 -4.254 8.502 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -11.724 -3.320 9.802 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -13.424 -4.470 11.386 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -13.798 -5.549 10.057 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -12.010 -6.817 10.801 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -10.988 -5.593 10.075 1.00 0.00 H new ATOM 0 HE ARG A 69 -12.036 -5.299 12.930 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -9.441 -5.179 10.526 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -8.257 -4.569 11.686 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -10.501 -4.540 14.369 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -8.850 -4.212 13.833 1.00 0.00 H new ATOM 1153 N PRO A 70 -13.041 -0.988 10.794 1.00 0.00 N ATOM 1154 CA PRO A 70 -12.542 0.382 11.103 1.00 0.00 C ATOM 1155 C PRO A 70 -11.094 0.573 10.626 1.00 0.00 C ATOM 1156 O PRO A 70 -10.361 -0.380 10.429 1.00 0.00 O ATOM 1157 CB PRO A 70 -12.631 0.457 12.627 1.00 0.00 C ATOM 1158 CG PRO A 70 -12.571 -0.963 13.083 1.00 0.00 C ATOM 1159 CD PRO A 70 -13.237 -1.785 12.013 1.00 0.00 C ATOM 0 HA PRO A 70 -13.116 1.161 10.602 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -11.810 1.041 13.043 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -13.557 0.936 12.946 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -11.538 -1.280 13.229 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -13.080 -1.085 14.039 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -12.783 -2.772 11.924 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -14.295 -1.939 12.226 1.00 0.00 H new ATOM 1167 N ASN A 71 -10.687 1.811 10.446 1.00 0.00 N ATOM 1168 CA ASN A 71 -9.291 2.115 9.983 1.00 0.00 C ATOM 1169 C ASN A 71 -9.013 1.425 8.640 1.00 0.00 C ATOM 1170 O ASN A 71 -8.087 0.644 8.510 1.00 0.00 O ATOM 1171 CB ASN A 71 -8.355 1.575 11.077 1.00 0.00 C ATOM 1172 CG ASN A 71 -8.831 2.035 12.459 1.00 0.00 C ATOM 1173 OD1 ASN A 71 -9.045 1.222 13.336 1.00 0.00 O ATOM 1174 ND2 ASN A 71 -9.003 3.308 12.695 1.00 0.00 N ATOM 0 H ASN A 71 -11.270 2.633 10.602 1.00 0.00 H new ATOM 0 HA ASN A 71 -9.142 3.184 9.829 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -8.329 0.486 11.038 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -7.338 1.925 10.900 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -9.317 3.618 13.615 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -8.824 3.992 11.960 1.00 0.00 H new ATOM 1181 N THR A 72 -9.814 1.705 7.644 1.00 0.00 N ATOM 1182 CA THR A 72 -9.608 1.064 6.309 1.00 0.00 C ATOM 1183 C THR A 72 -9.247 2.114 5.250 1.00 0.00 C ATOM 1184 O THR A 72 -9.669 3.257 5.314 1.00 0.00 O ATOM 1185 CB THR A 72 -10.948 0.395 5.985 1.00 0.00 C ATOM 1186 OG1 THR A 72 -11.156 -0.686 6.882 1.00 0.00 O ATOM 1187 CG2 THR A 72 -10.938 -0.131 4.546 1.00 0.00 C ATOM 0 H THR A 72 -10.602 2.350 7.697 1.00 0.00 H new ATOM 0 HA THR A 72 -8.786 0.348 6.318 1.00 0.00 H new ATOM 0 HB THR A 72 -11.751 1.125 6.090 1.00 0.00 H new ATOM 0 HG1 THR A 72 -12.034 -0.593 7.308 1.00 0.00 H new ATOM 0 HG21 THR A 72 -11.894 -0.605 4.325 1.00 0.00 H new ATOM 0 HG22 THR A 72 -10.776 0.698 3.857 1.00 0.00 H new ATOM 0 HG23 THR A 72 -10.137 -0.861 4.431 1.00 0.00 H new ATOM 1195 N PHE A 73 -8.469 1.721 4.274 1.00 0.00 N ATOM 1196 CA PHE A 73 -8.062 2.662 3.191 1.00 0.00 C ATOM 1197 C PHE A 73 -8.545 2.134 1.834 1.00 0.00 C ATOM 1198 O PHE A 73 -8.307 0.992 1.480 1.00 0.00 O ATOM 1199 CB PHE A 73 -6.530 2.678 3.237 1.00 0.00 C ATOM 1200 CG PHE A 73 -6.030 4.048 3.637 1.00 0.00 C ATOM 1201 CD1 PHE A 73 -6.481 5.191 2.962 1.00 0.00 C ATOM 1202 CD2 PHE A 73 -5.104 4.173 4.679 1.00 0.00 C ATOM 1203 CE1 PHE A 73 -6.008 6.454 3.330 1.00 0.00 C ATOM 1204 CE2 PHE A 73 -4.630 5.437 5.046 1.00 0.00 C ATOM 1205 CZ PHE A 73 -5.082 6.577 4.373 1.00 0.00 C ATOM 0 H PHE A 73 -8.095 0.777 4.182 1.00 0.00 H new ATOM 0 HA PHE A 73 -8.487 3.657 3.323 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -6.173 1.932 3.947 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -6.127 2.407 2.261 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -7.195 5.096 2.157 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -4.755 3.293 5.200 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -6.357 7.334 2.810 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -3.915 5.533 5.849 1.00 0.00 H new ATOM 0 HZ PHE A 73 -4.717 7.552 4.658 1.00 0.00 H new ATOM 1215 N VAL A 74 -9.210 2.961 1.070 1.00 0.00 N ATOM 1216 CA VAL A 74 -9.706 2.526 -0.270 1.00 0.00 C ATOM 1217 C VAL A 74 -8.927 3.255 -1.369 1.00 0.00 C ATOM 1218 O VAL A 74 -8.932 4.469 -1.439 1.00 0.00 O ATOM 1219 CB VAL A 74 -11.188 2.926 -0.302 1.00 0.00 C ATOM 1220 CG1 VAL A 74 -11.747 2.748 -1.717 1.00 0.00 C ATOM 1221 CG2 VAL A 74 -11.979 2.044 0.667 1.00 0.00 C ATOM 0 H VAL A 74 -9.432 3.925 1.318 1.00 0.00 H new ATOM 0 HA VAL A 74 -9.576 1.456 -0.435 1.00 0.00 H new ATOM 0 HB VAL A 74 -11.280 3.971 -0.006 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -12.799 3.034 -1.731 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -11.190 3.378 -2.410 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -11.650 1.705 -2.018 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -13.031 2.329 0.643 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -11.880 0.999 0.372 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -11.591 2.174 1.677 1.00 0.00 H new ATOM 1231 N ILE A 75 -8.266 2.526 -2.229 1.00 0.00 N ATOM 1232 CA ILE A 75 -7.495 3.183 -3.330 1.00 0.00 C ATOM 1233 C ILE A 75 -8.091 2.787 -4.687 1.00 0.00 C ATOM 1234 O ILE A 75 -8.341 1.625 -4.950 1.00 0.00 O ATOM 1235 CB ILE A 75 -6.043 2.693 -3.178 1.00 0.00 C ATOM 1236 CG1 ILE A 75 -5.183 3.276 -4.307 1.00 0.00 C ATOM 1237 CG2 ILE A 75 -5.981 1.163 -3.236 1.00 0.00 C ATOM 1238 CD1 ILE A 75 -3.704 3.228 -3.908 1.00 0.00 C ATOM 0 H ILE A 75 -8.225 1.507 -2.219 1.00 0.00 H new ATOM 0 HA ILE A 75 -7.537 4.271 -3.277 1.00 0.00 H new ATOM 0 HB ILE A 75 -5.664 3.026 -2.212 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -5.340 2.711 -5.226 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -5.481 4.304 -4.510 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -4.947 0.836 -3.127 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -6.581 0.744 -2.429 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -6.371 0.819 -4.194 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -3.097 3.643 -4.712 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -3.553 3.813 -3.001 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -3.409 2.194 -3.727 1.00 0.00 H new ATOM 1250 N ARG A 76 -8.338 3.745 -5.546 1.00 0.00 N ATOM 1251 CA ARG A 76 -8.933 3.417 -6.880 1.00 0.00 C ATOM 1252 C ARG A 76 -8.055 3.961 -8.015 1.00 0.00 C ATOM 1253 O ARG A 76 -7.602 5.091 -7.978 1.00 0.00 O ATOM 1254 CB ARG A 76 -10.309 4.095 -6.880 1.00 0.00 C ATOM 1255 CG ARG A 76 -11.168 3.514 -5.748 1.00 0.00 C ATOM 1256 CD ARG A 76 -12.559 3.150 -6.281 1.00 0.00 C ATOM 1257 NE ARG A 76 -13.301 4.445 -6.363 1.00 0.00 N ATOM 1258 CZ ARG A 76 -14.551 4.480 -6.771 1.00 0.00 C ATOM 1259 NH1 ARG A 76 -15.183 3.374 -7.092 1.00 0.00 N ATOM 1260 NH2 ARG A 76 -15.173 5.630 -6.853 1.00 0.00 N ATOM 0 H ARG A 76 -8.155 4.735 -5.383 1.00 0.00 H new ATOM 0 HA ARG A 76 -9.010 2.342 -7.040 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -10.196 5.171 -6.749 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -10.802 3.941 -7.840 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -10.686 2.630 -5.331 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -11.257 4.239 -4.939 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -12.493 2.672 -7.258 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -13.064 2.449 -5.616 1.00 0.00 H new ATOM 0 HE ARG A 76 -12.832 5.312 -6.099 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -14.704 2.476 -7.026 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -16.152 3.414 -7.407 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -14.688 6.491 -6.601 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -16.142 5.664 -7.169 1.00 0.00 H new ATOM 1274 N CYS A 77 -7.817 3.158 -9.024 1.00 0.00 N ATOM 1275 CA CYS A 77 -6.974 3.606 -10.177 1.00 0.00 C ATOM 1276 C CYS A 77 -7.770 3.500 -11.482 1.00 0.00 C ATOM 1277 O CYS A 77 -8.675 2.693 -11.601 1.00 0.00 O ATOM 1278 CB CYS A 77 -5.784 2.643 -10.198 1.00 0.00 C ATOM 1279 SG CYS A 77 -4.295 3.507 -9.642 1.00 0.00 S ATOM 0 H CYS A 77 -8.173 2.205 -9.099 1.00 0.00 H new ATOM 0 HA CYS A 77 -6.656 4.644 -10.078 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -5.983 1.788 -9.552 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -5.636 2.253 -11.205 1.00 0.00 H new ATOM 1284 N LEU A 78 -7.441 4.303 -12.464 1.00 0.00 N ATOM 1285 CA LEU A 78 -8.183 4.244 -13.766 1.00 0.00 C ATOM 1286 C LEU A 78 -7.480 3.305 -14.766 1.00 0.00 C ATOM 1287 O LEU A 78 -7.773 3.324 -15.946 1.00 0.00 O ATOM 1288 CB LEU A 78 -8.195 5.689 -14.291 1.00 0.00 C ATOM 1289 CG LEU A 78 -6.770 6.136 -14.649 1.00 0.00 C ATOM 1290 CD1 LEU A 78 -6.667 6.365 -16.160 1.00 0.00 C ATOM 1291 CD2 LEU A 78 -6.445 7.441 -13.916 1.00 0.00 C ATOM 0 H LEU A 78 -6.693 4.996 -12.423 1.00 0.00 H new ATOM 0 HA LEU A 78 -9.190 3.849 -13.636 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -8.837 5.759 -15.169 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -8.614 6.354 -13.536 1.00 0.00 H new ATOM 0 HG LEU A 78 -6.063 5.362 -14.350 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -5.655 6.682 -16.412 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -6.898 5.438 -16.685 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -7.375 7.138 -16.460 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -5.434 7.759 -14.170 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -7.154 8.213 -14.216 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -6.516 7.281 -12.840 1.00 0.00 H new ATOM 1303 N GLN A 79 -6.562 2.486 -14.307 1.00 0.00 N ATOM 1304 CA GLN A 79 -5.851 1.554 -15.238 1.00 0.00 C ATOM 1305 C GLN A 79 -6.432 0.134 -15.139 1.00 0.00 C ATOM 1306 O GLN A 79 -5.729 -0.838 -15.334 1.00 0.00 O ATOM 1307 CB GLN A 79 -4.389 1.574 -14.776 1.00 0.00 C ATOM 1308 CG GLN A 79 -3.496 2.086 -15.911 1.00 0.00 C ATOM 1309 CD GLN A 79 -3.228 0.953 -16.907 1.00 0.00 C ATOM 1310 OE1 GLN A 79 -2.709 -0.083 -16.540 1.00 0.00 O ATOM 1311 NE2 GLN A 79 -3.561 1.106 -18.159 1.00 0.00 N ATOM 0 H GLN A 79 -6.276 2.424 -13.330 1.00 0.00 H new ATOM 0 HA GLN A 79 -5.957 1.858 -16.279 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -4.283 2.214 -13.900 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -4.078 0.573 -14.479 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -3.978 2.922 -16.417 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -2.555 2.458 -15.507 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -3.997 1.975 -18.468 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -3.386 0.357 -18.829 1.00 0.00 H new ATOM 1320 N TRP A 80 -7.711 0.013 -14.844 1.00 0.00 N ATOM 1321 CA TRP A 80 -8.362 -1.339 -14.733 1.00 0.00 C ATOM 1322 C TRP A 80 -7.661 -2.194 -13.658 1.00 0.00 C ATOM 1323 O TRP A 80 -8.043 -2.160 -12.503 1.00 0.00 O ATOM 1324 CB TRP A 80 -8.251 -1.974 -16.130 1.00 0.00 C ATOM 1325 CG TRP A 80 -8.822 -1.046 -17.159 1.00 0.00 C ATOM 1326 CD1 TRP A 80 -8.194 -0.671 -18.297 1.00 0.00 C ATOM 1327 CD2 TRP A 80 -10.114 -0.370 -17.163 1.00 0.00 C ATOM 1328 NE1 TRP A 80 -9.016 0.192 -18.999 1.00 0.00 N ATOM 1329 CE2 TRP A 80 -10.210 0.409 -18.342 1.00 0.00 C ATOM 1330 CE3 TRP A 80 -11.200 -0.355 -16.269 1.00 0.00 C ATOM 1331 CZ2 TRP A 80 -11.343 1.174 -18.622 1.00 0.00 C ATOM 1332 CZ3 TRP A 80 -12.341 0.414 -16.548 1.00 0.00 C ATOM 1333 CH2 TRP A 80 -12.412 1.176 -17.723 1.00 0.00 C ATOM 0 H TRP A 80 -8.336 0.801 -14.674 1.00 0.00 H new ATOM 0 HA TRP A 80 -9.405 -1.264 -14.424 1.00 0.00 H new ATOM 0 HB2 TRP A 80 -7.207 -2.188 -16.360 1.00 0.00 H new ATOM 0 HB3 TRP A 80 -8.783 -2.925 -16.150 1.00 0.00 H new ATOM 0 HD1 TRP A 80 -7.211 -0.993 -18.607 1.00 0.00 H new ATOM 0 HE1 TRP A 80 -8.770 0.616 -19.893 1.00 0.00 H new ATOM 0 HE3 TRP A 80 -11.156 -0.939 -15.362 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 -11.393 1.760 -19.528 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 -13.168 0.419 -15.854 1.00 0.00 H new ATOM 0 HH2 TRP A 80 -13.293 1.764 -17.933 1.00 0.00 H new ATOM 1344 N THR A 81 -6.639 -2.948 -14.024 1.00 0.00 N ATOM 1345 CA THR A 81 -5.898 -3.801 -13.027 1.00 0.00 C ATOM 1346 C THR A 81 -6.809 -4.894 -12.444 1.00 0.00 C ATOM 1347 O THR A 81 -8.022 -4.822 -12.526 1.00 0.00 O ATOM 1348 CB THR A 81 -5.432 -2.841 -11.916 1.00 0.00 C ATOM 1349 OG1 THR A 81 -5.003 -1.610 -12.485 1.00 0.00 O ATOM 1350 CG2 THR A 81 -4.265 -3.474 -11.155 1.00 0.00 C ATOM 0 H THR A 81 -6.285 -3.008 -14.979 1.00 0.00 H new ATOM 0 HA THR A 81 -5.059 -4.314 -13.498 1.00 0.00 H new ATOM 0 HB THR A 81 -6.263 -2.654 -11.236 1.00 0.00 H new ATOM 0 HG1 THR A 81 -4.710 -1.005 -11.772 1.00 0.00 H new ATOM 0 HG21 THR A 81 -3.933 -2.796 -10.368 1.00 0.00 H new ATOM 0 HG22 THR A 81 -4.588 -4.415 -10.711 1.00 0.00 H new ATOM 0 HG23 THR A 81 -3.441 -3.662 -11.843 1.00 0.00 H new ATOM 1358 N THR A 82 -6.226 -5.901 -11.840 1.00 0.00 N ATOM 1359 CA THR A 82 -7.045 -6.993 -11.229 1.00 0.00 C ATOM 1360 C THR A 82 -7.492 -6.567 -9.824 1.00 0.00 C ATOM 1361 O THR A 82 -7.285 -5.438 -9.422 1.00 0.00 O ATOM 1362 CB THR A 82 -6.119 -8.218 -11.164 1.00 0.00 C ATOM 1363 OG1 THR A 82 -4.929 -7.879 -10.461 1.00 0.00 O ATOM 1364 CG2 THR A 82 -5.764 -8.672 -12.582 1.00 0.00 C ATOM 0 H THR A 82 -5.217 -6.013 -11.744 1.00 0.00 H new ATOM 0 HA THR A 82 -7.944 -7.214 -11.804 1.00 0.00 H new ATOM 0 HB THR A 82 -6.630 -9.028 -10.643 1.00 0.00 H new ATOM 0 HG1 THR A 82 -4.340 -8.661 -10.419 1.00 0.00 H new ATOM 0 HG21 THR A 82 -5.107 -9.541 -12.532 1.00 0.00 H new ATOM 0 HG22 THR A 82 -6.675 -8.936 -13.118 1.00 0.00 H new ATOM 0 HG23 THR A 82 -5.256 -7.863 -13.107 1.00 0.00 H new ATOM 1372 N VAL A 83 -8.104 -7.460 -9.076 1.00 0.00 N ATOM 1373 CA VAL A 83 -8.572 -7.113 -7.692 1.00 0.00 C ATOM 1374 C VAL A 83 -9.484 -5.875 -7.732 1.00 0.00 C ATOM 1375 O VAL A 83 -9.050 -4.759 -7.499 1.00 0.00 O ATOM 1376 CB VAL A 83 -7.295 -6.836 -6.879 1.00 0.00 C ATOM 1377 CG1 VAL A 83 -7.664 -6.515 -5.427 1.00 0.00 C ATOM 1378 CG2 VAL A 83 -6.390 -8.072 -6.906 1.00 0.00 C ATOM 0 H VAL A 83 -8.300 -8.418 -9.367 1.00 0.00 H new ATOM 0 HA VAL A 83 -9.157 -7.917 -7.245 1.00 0.00 H new ATOM 0 HB VAL A 83 -6.771 -5.987 -7.318 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -6.757 -6.320 -4.856 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -8.306 -5.634 -5.401 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -8.193 -7.362 -4.990 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -5.486 -7.874 -6.330 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -6.919 -8.920 -6.471 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -6.120 -8.303 -7.936 1.00 0.00 H new ATOM 1388 N ILE A 84 -10.744 -6.068 -8.031 1.00 0.00 N ATOM 1389 CA ILE A 84 -11.695 -4.913 -8.092 1.00 0.00 C ATOM 1390 C ILE A 84 -11.814 -4.245 -6.715 1.00 0.00 C ATOM 1391 O ILE A 84 -11.772 -4.906 -5.692 1.00 0.00 O ATOM 1392 CB ILE A 84 -13.040 -5.517 -8.534 1.00 0.00 C ATOM 1393 CG1 ILE A 84 -14.034 -4.391 -8.845 1.00 0.00 C ATOM 1394 CG2 ILE A 84 -13.613 -6.405 -7.422 1.00 0.00 C ATOM 1395 CD1 ILE A 84 -13.915 -3.991 -10.317 1.00 0.00 C ATOM 0 H ILE A 84 -11.157 -6.978 -8.236 1.00 0.00 H new ATOM 0 HA ILE A 84 -11.359 -4.139 -8.783 1.00 0.00 H new ATOM 0 HB ILE A 84 -12.877 -6.121 -9.427 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -15.050 -4.720 -8.628 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -13.835 -3.530 -8.207 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -14.564 -6.826 -7.747 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -12.914 -7.212 -7.205 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -13.768 -5.808 -6.523 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -14.622 -3.191 -10.535 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -12.902 -3.644 -10.519 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -14.136 -4.852 -10.947 1.00 0.00 H new ATOM 1407 N GLU A 85 -11.956 -2.937 -6.691 1.00 0.00 N ATOM 1408 CA GLU A 85 -12.078 -2.196 -5.393 1.00 0.00 C ATOM 1409 C GLU A 85 -10.880 -2.508 -4.481 1.00 0.00 C ATOM 1410 O GLU A 85 -10.976 -3.297 -3.558 1.00 0.00 O ATOM 1411 CB GLU A 85 -13.394 -2.685 -4.772 1.00 0.00 C ATOM 1412 CG GLU A 85 -13.707 -1.878 -3.507 1.00 0.00 C ATOM 1413 CD GLU A 85 -14.128 -0.458 -3.890 1.00 0.00 C ATOM 1414 OE1 GLU A 85 -15.168 -0.312 -4.513 1.00 0.00 O ATOM 1415 OE2 GLU A 85 -13.404 0.461 -3.550 1.00 0.00 O ATOM 0 H GLU A 85 -11.993 -2.348 -7.523 1.00 0.00 H new ATOM 0 HA GLU A 85 -12.081 -1.115 -5.534 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -14.206 -2.580 -5.491 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -13.319 -3.745 -4.528 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -14.503 -2.363 -2.942 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -12.831 -1.845 -2.859 1.00 0.00 H new ATOM 1422 N ARG A 86 -9.751 -1.894 -4.737 1.00 0.00 N ATOM 1423 CA ARG A 86 -8.547 -2.155 -3.889 1.00 0.00 C ATOM 1424 C ARG A 86 -8.746 -1.555 -2.491 1.00 0.00 C ATOM 1425 O ARG A 86 -8.639 -0.359 -2.294 1.00 0.00 O ATOM 1426 CB ARG A 86 -7.385 -1.463 -4.606 1.00 0.00 C ATOM 1427 CG ARG A 86 -6.658 -2.468 -5.509 1.00 0.00 C ATOM 1428 CD ARG A 86 -7.114 -2.286 -6.962 1.00 0.00 C ATOM 1429 NE ARG A 86 -6.181 -1.271 -7.546 1.00 0.00 N ATOM 1430 CZ ARG A 86 -5.035 -1.632 -8.093 1.00 0.00 C ATOM 1431 NH1 ARG A 86 -4.663 -2.890 -8.110 1.00 0.00 N ATOM 1432 NH2 ARG A 86 -4.256 -0.720 -8.621 1.00 0.00 N ATOM 0 H ARG A 86 -9.611 -1.225 -5.494 1.00 0.00 H new ATOM 0 HA ARG A 86 -8.363 -3.221 -3.759 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -7.758 -0.629 -5.201 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -6.690 -1.048 -3.876 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -5.580 -2.323 -5.436 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -6.866 -3.485 -5.178 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -7.065 -3.227 -7.510 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -8.148 -1.943 -7.010 1.00 0.00 H new ATOM 0 HE ARG A 86 -6.435 -0.284 -7.521 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -5.262 -3.605 -7.697 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -3.775 -3.153 -8.536 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -4.537 0.261 -8.607 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -3.369 -0.991 -9.046 1.00 0.00 H new ATOM 1446 N THR A 87 -9.040 -2.382 -1.519 1.00 0.00 N ATOM 1447 CA THR A 87 -9.249 -1.870 -0.130 1.00 0.00 C ATOM 1448 C THR A 87 -8.303 -2.579 0.843 1.00 0.00 C ATOM 1449 O THR A 87 -8.128 -3.781 0.786 1.00 0.00 O ATOM 1450 CB THR A 87 -10.710 -2.195 0.216 1.00 0.00 C ATOM 1451 OG1 THR A 87 -11.022 -3.515 -0.214 1.00 0.00 O ATOM 1452 CG2 THR A 87 -11.640 -1.197 -0.477 1.00 0.00 C ATOM 0 H THR A 87 -9.144 -3.391 -1.628 1.00 0.00 H new ATOM 0 HA THR A 87 -9.046 -0.802 -0.058 1.00 0.00 H new ATOM 0 HB THR A 87 -10.846 -2.125 1.295 1.00 0.00 H new ATOM 0 HG1 THR A 87 -10.306 -4.126 0.059 1.00 0.00 H new ATOM 0 HG21 THR A 87 -12.675 -1.431 -0.229 1.00 0.00 H new ATOM 0 HG22 THR A 87 -11.406 -0.187 -0.140 1.00 0.00 H new ATOM 0 HG23 THR A 87 -11.502 -1.261 -1.556 1.00 0.00 H new ATOM 1460 N PHE A 88 -7.699 -1.842 1.740 1.00 0.00 N ATOM 1461 CA PHE A 88 -6.771 -2.470 2.728 1.00 0.00 C ATOM 1462 C PHE A 88 -6.965 -1.825 4.108 1.00 0.00 C ATOM 1463 O PHE A 88 -7.212 -0.640 4.220 1.00 0.00 O ATOM 1464 CB PHE A 88 -5.353 -2.244 2.158 1.00 0.00 C ATOM 1465 CG PHE A 88 -4.662 -1.069 2.823 1.00 0.00 C ATOM 1466 CD1 PHE A 88 -4.176 -1.189 4.131 1.00 0.00 C ATOM 1467 CD2 PHE A 88 -4.496 0.134 2.126 1.00 0.00 C ATOM 1468 CE1 PHE A 88 -3.530 -0.109 4.740 1.00 0.00 C ATOM 1469 CE2 PHE A 88 -3.847 1.214 2.736 1.00 0.00 C ATOM 1470 CZ PHE A 88 -3.366 1.092 4.044 1.00 0.00 C ATOM 0 H PHE A 88 -7.809 -0.832 1.831 1.00 0.00 H new ATOM 0 HA PHE A 88 -6.955 -3.535 2.870 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -4.756 -3.145 2.300 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -5.416 -2.069 1.084 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -4.300 -2.117 4.670 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -4.869 0.229 1.117 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -3.157 -0.203 5.749 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -3.718 2.141 2.197 1.00 0.00 H new ATOM 0 HZ PHE A 88 -2.868 1.926 4.516 1.00 0.00 H new ATOM 1480 N HIS A 89 -6.866 -2.602 5.155 1.00 0.00 N ATOM 1481 CA HIS A 89 -7.052 -2.049 6.535 1.00 0.00 C ATOM 1482 C HIS A 89 -5.692 -1.866 7.214 1.00 0.00 C ATOM 1483 O HIS A 89 -4.744 -2.556 6.903 1.00 0.00 O ATOM 1484 CB HIS A 89 -7.877 -3.101 7.286 1.00 0.00 C ATOM 1485 CG HIS A 89 -9.242 -3.238 6.660 1.00 0.00 C ATOM 1486 ND1 HIS A 89 -10.277 -3.900 7.294 1.00 0.00 N ATOM 1487 CD2 HIS A 89 -9.754 -2.812 5.458 1.00 0.00 C ATOM 1488 CE1 HIS A 89 -11.348 -3.855 6.481 1.00 0.00 C ATOM 1489 NE2 HIS A 89 -11.083 -3.203 5.349 1.00 0.00 N ATOM 0 H HIS A 89 -6.663 -3.601 5.116 1.00 0.00 H new ATOM 0 HA HIS A 89 -7.545 -1.077 6.522 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -7.361 -4.061 7.265 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -7.976 -2.816 8.333 1.00 0.00 H new ATOM 0 HD1 HIS A 89 -10.236 -4.343 8.212 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -9.206 -2.257 4.711 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -12.306 -4.294 6.717 1.00 0.00 H new ATOM 1497 N VAL A 90 -5.589 -0.947 8.142 1.00 0.00 N ATOM 1498 CA VAL A 90 -4.278 -0.738 8.842 1.00 0.00 C ATOM 1499 C VAL A 90 -4.303 -1.395 10.227 1.00 0.00 C ATOM 1500 O VAL A 90 -5.354 -1.649 10.786 1.00 0.00 O ATOM 1501 CB VAL A 90 -4.088 0.783 8.960 1.00 0.00 C ATOM 1502 CG1 VAL A 90 -3.995 1.397 7.564 1.00 0.00 C ATOM 1503 CG2 VAL A 90 -5.265 1.413 9.714 1.00 0.00 C ATOM 0 H VAL A 90 -6.347 -0.336 8.445 1.00 0.00 H new ATOM 0 HA VAL A 90 -3.455 -1.191 8.290 1.00 0.00 H new ATOM 0 HB VAL A 90 -3.169 0.979 9.512 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -3.860 2.475 7.649 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -3.146 0.966 7.033 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -4.912 1.188 7.013 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -5.115 2.490 9.789 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -6.191 1.212 9.176 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -5.327 0.985 10.715 1.00 0.00 H new ATOM 1513 N ASP A 91 -3.148 -1.671 10.778 1.00 0.00 N ATOM 1514 CA ASP A 91 -3.080 -2.318 12.130 1.00 0.00 C ATOM 1515 C ASP A 91 -3.551 -1.351 13.233 1.00 0.00 C ATOM 1516 O ASP A 91 -3.949 -1.775 14.302 1.00 0.00 O ATOM 1517 CB ASP A 91 -1.601 -2.688 12.330 1.00 0.00 C ATOM 1518 CG ASP A 91 -0.737 -1.421 12.356 1.00 0.00 C ATOM 1519 OD1 ASP A 91 -0.477 -0.882 11.294 1.00 0.00 O ATOM 1520 OD2 ASP A 91 -0.349 -1.014 13.439 1.00 0.00 O ATOM 0 H ASP A 91 -2.243 -1.476 10.350 1.00 0.00 H new ATOM 0 HA ASP A 91 -3.731 -3.190 12.189 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -1.479 -3.239 13.262 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -1.271 -3.346 11.526 1.00 0.00 H new ATOM 1525 N SER A 92 -3.508 -0.062 12.987 1.00 0.00 N ATOM 1526 CA SER A 92 -3.951 0.916 14.029 1.00 0.00 C ATOM 1527 C SER A 92 -4.493 2.195 13.376 1.00 0.00 C ATOM 1528 O SER A 92 -4.250 2.445 12.211 1.00 0.00 O ATOM 1529 CB SER A 92 -2.689 1.227 14.838 1.00 0.00 C ATOM 1530 OG SER A 92 -2.935 0.962 16.212 1.00 0.00 O ATOM 0 H SER A 92 -3.186 0.353 12.112 1.00 0.00 H new ATOM 0 HA SER A 92 -4.753 0.516 14.649 1.00 0.00 H new ATOM 0 HB2 SER A 92 -1.856 0.620 14.482 1.00 0.00 H new ATOM 0 HB3 SER A 92 -2.404 2.270 14.702 1.00 0.00 H new ATOM 0 HG SER A 92 -2.128 1.158 16.733 1.00 0.00 H new ATOM 1536 N PRO A 93 -5.201 2.978 14.159 1.00 0.00 N ATOM 1537 CA PRO A 93 -5.768 4.254 13.651 1.00 0.00 C ATOM 1538 C PRO A 93 -4.639 5.257 13.377 1.00 0.00 C ATOM 1539 O PRO A 93 -4.710 6.042 12.450 1.00 0.00 O ATOM 1540 CB PRO A 93 -6.670 4.727 14.790 1.00 0.00 C ATOM 1541 CG PRO A 93 -6.114 4.076 16.014 1.00 0.00 C ATOM 1542 CD PRO A 93 -5.533 2.758 15.575 1.00 0.00 C ATOM 0 HA PRO A 93 -6.312 4.146 12.713 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -6.657 5.813 14.879 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -7.706 4.433 14.622 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -5.349 4.703 16.473 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -6.893 3.926 16.761 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -4.650 2.496 16.157 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -6.248 1.945 15.697 1.00 0.00 H new ATOM 1550 N ASP A 94 -3.592 5.222 14.168 1.00 0.00 N ATOM 1551 CA ASP A 94 -2.449 6.156 13.947 1.00 0.00 C ATOM 1552 C ASP A 94 -1.739 5.809 12.632 1.00 0.00 C ATOM 1553 O ASP A 94 -1.237 6.678 11.945 1.00 0.00 O ATOM 1554 CB ASP A 94 -1.512 5.939 15.141 1.00 0.00 C ATOM 1555 CG ASP A 94 -2.006 6.760 16.335 1.00 0.00 C ATOM 1556 OD1 ASP A 94 -1.589 7.900 16.457 1.00 0.00 O ATOM 1557 OD2 ASP A 94 -2.790 6.234 17.107 1.00 0.00 O ATOM 0 H ASP A 94 -3.483 4.585 14.957 1.00 0.00 H new ATOM 0 HA ASP A 94 -2.771 7.195 13.874 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -1.478 4.881 15.403 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -0.496 6.235 14.878 1.00 0.00 H new ATOM 1562 N GLU A 95 -1.702 4.546 12.274 1.00 0.00 N ATOM 1563 CA GLU A 95 -1.031 4.144 11.000 1.00 0.00 C ATOM 1564 C GLU A 95 -1.772 4.738 9.795 1.00 0.00 C ATOM 1565 O GLU A 95 -1.157 5.244 8.878 1.00 0.00 O ATOM 1566 CB GLU A 95 -1.086 2.611 10.973 1.00 0.00 C ATOM 1567 CG GLU A 95 0.326 2.057 10.746 1.00 0.00 C ATOM 1568 CD GLU A 95 1.047 1.851 12.089 1.00 0.00 C ATOM 1569 OE1 GLU A 95 0.691 2.513 13.053 1.00 0.00 O ATOM 1570 OE2 GLU A 95 1.954 1.034 12.128 1.00 0.00 O ATOM 0 H GLU A 95 -2.108 3.779 12.810 1.00 0.00 H new ATOM 0 HA GLU A 95 -0.005 4.508 10.948 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -1.490 2.234 11.912 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -1.753 2.274 10.180 1.00 0.00 H new ATOM 0 HG2 GLU A 95 0.269 1.111 10.208 1.00 0.00 H new ATOM 0 HG3 GLU A 95 0.897 2.745 10.122 1.00 0.00 H new ATOM 1577 N ARG A 96 -3.085 4.695 9.794 1.00 0.00 N ATOM 1578 CA ARG A 96 -3.859 5.268 8.644 1.00 0.00 C ATOM 1579 C ARG A 96 -3.446 6.728 8.399 1.00 0.00 C ATOM 1580 O ARG A 96 -3.262 7.146 7.270 1.00 0.00 O ATOM 1581 CB ARG A 96 -5.327 5.183 9.070 1.00 0.00 C ATOM 1582 CG ARG A 96 -6.237 5.596 7.910 1.00 0.00 C ATOM 1583 CD ARG A 96 -7.487 6.287 8.464 1.00 0.00 C ATOM 1584 NE ARG A 96 -7.032 7.654 8.865 1.00 0.00 N ATOM 1585 CZ ARG A 96 -7.743 8.383 9.697 1.00 0.00 C ATOM 1586 NH1 ARG A 96 -8.870 7.929 10.201 1.00 0.00 N ATOM 1587 NH2 ARG A 96 -7.321 9.577 10.027 1.00 0.00 N ATOM 0 H ARG A 96 -3.653 4.289 10.538 1.00 0.00 H new ATOM 0 HA ARG A 96 -3.676 4.730 7.714 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -5.564 4.167 9.384 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -5.503 5.831 9.929 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -5.704 6.268 7.237 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -6.521 4.720 7.326 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -8.275 6.339 7.712 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -7.894 5.742 9.315 1.00 0.00 H new ATOM 0 HE ARG A 96 -6.160 8.025 8.489 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -9.204 6.999 9.948 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -9.410 8.507 10.845 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -6.448 9.934 9.640 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -7.865 10.150 10.672 1.00 0.00 H new ATOM 1601 N GLU A 97 -3.278 7.499 9.447 1.00 0.00 N ATOM 1602 CA GLU A 97 -2.853 8.924 9.269 1.00 0.00 C ATOM 1603 C GLU A 97 -1.415 8.978 8.731 1.00 0.00 C ATOM 1604 O GLU A 97 -1.083 9.815 7.911 1.00 0.00 O ATOM 1605 CB GLU A 97 -2.930 9.550 10.665 1.00 0.00 C ATOM 1606 CG GLU A 97 -3.308 11.030 10.539 1.00 0.00 C ATOM 1607 CD GLU A 97 -3.384 11.666 11.930 1.00 0.00 C ATOM 1608 OE1 GLU A 97 -4.214 11.234 12.714 1.00 0.00 O ATOM 1609 OE2 GLU A 97 -2.614 12.577 12.186 1.00 0.00 O ATOM 0 H GLU A 97 -3.416 7.205 10.414 1.00 0.00 H new ATOM 0 HA GLU A 97 -3.484 9.456 8.557 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -3.669 9.025 11.271 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -1.971 9.450 11.174 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -2.570 11.553 9.930 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -4.268 11.128 10.031 1.00 0.00 H new ATOM 1616 N GLU A 98 -0.567 8.083 9.174 1.00 0.00 N ATOM 1617 CA GLU A 98 0.845 8.067 8.680 1.00 0.00 C ATOM 1618 C GLU A 98 0.879 7.630 7.208 1.00 0.00 C ATOM 1619 O GLU A 98 1.650 8.148 6.421 1.00 0.00 O ATOM 1620 CB GLU A 98 1.569 7.049 9.573 1.00 0.00 C ATOM 1621 CG GLU A 98 3.027 6.895 9.117 1.00 0.00 C ATOM 1622 CD GLU A 98 3.873 8.038 9.685 1.00 0.00 C ATOM 1623 OE1 GLU A 98 4.389 7.879 10.777 1.00 0.00 O ATOM 1624 OE2 GLU A 98 3.998 9.046 9.011 1.00 0.00 O ATOM 0 H GLU A 98 -0.792 7.361 9.858 1.00 0.00 H new ATOM 0 HA GLU A 98 1.317 9.048 8.729 1.00 0.00 H new ATOM 0 HB2 GLU A 98 1.537 7.377 10.612 1.00 0.00 H new ATOM 0 HB3 GLU A 98 1.061 6.086 9.527 1.00 0.00 H new ATOM 0 HG2 GLU A 98 3.423 5.936 9.452 1.00 0.00 H new ATOM 0 HG3 GLU A 98 3.079 6.898 8.028 1.00 0.00 H new ATOM 1631 N TRP A 99 0.048 6.684 6.833 1.00 0.00 N ATOM 1632 CA TRP A 99 0.027 6.212 5.410 1.00 0.00 C ATOM 1633 C TRP A 99 -0.365 7.361 4.478 1.00 0.00 C ATOM 1634 O TRP A 99 0.286 7.604 3.480 1.00 0.00 O ATOM 1635 CB TRP A 99 -1.033 5.108 5.351 1.00 0.00 C ATOM 1636 CG TRP A 99 -0.579 3.906 6.120 1.00 0.00 C ATOM 1637 CD1 TRP A 99 -1.334 3.244 7.023 1.00 0.00 C ATOM 1638 CD2 TRP A 99 0.703 3.208 6.071 1.00 0.00 C ATOM 1639 NE1 TRP A 99 -0.603 2.193 7.537 1.00 0.00 N ATOM 1640 CE2 TRP A 99 0.659 2.126 6.980 1.00 0.00 C ATOM 1641 CE3 TRP A 99 1.887 3.408 5.336 1.00 0.00 C ATOM 1642 CZ2 TRP A 99 1.747 1.270 7.156 1.00 0.00 C ATOM 1643 CZ3 TRP A 99 2.985 2.548 5.510 1.00 0.00 C ATOM 1644 CH2 TRP A 99 2.914 1.482 6.418 1.00 0.00 C ATOM 0 H TRP A 99 -0.616 6.219 7.451 1.00 0.00 H new ATOM 0 HA TRP A 99 1.006 5.851 5.094 1.00 0.00 H new ATOM 0 HB2 TRP A 99 -1.973 5.476 5.761 1.00 0.00 H new ATOM 0 HB3 TRP A 99 -1.223 4.833 4.314 1.00 0.00 H new ATOM 0 HD1 TRP A 99 -2.347 3.497 7.298 1.00 0.00 H new ATOM 0 HE1 TRP A 99 -0.952 1.544 8.243 1.00 0.00 H new ATOM 0 HE3 TRP A 99 1.952 4.227 4.635 1.00 0.00 H new ATOM 0 HZ2 TRP A 99 1.687 0.450 7.857 1.00 0.00 H new ATOM 0 HZ3 TRP A 99 3.889 2.709 4.941 1.00 0.00 H new ATOM 0 HH2 TRP A 99 3.761 0.825 6.547 1.00 0.00 H new ATOM 1655 N MET A 100 -1.422 8.074 4.798 1.00 0.00 N ATOM 1656 CA MET A 100 -1.852 9.213 3.928 1.00 0.00 C ATOM 1657 C MET A 100 -0.715 10.231 3.802 1.00 0.00 C ATOM 1658 O MET A 100 -0.377 10.659 2.717 1.00 0.00 O ATOM 1659 CB MET A 100 -3.054 9.840 4.640 1.00 0.00 C ATOM 1660 CG MET A 100 -3.542 11.059 3.852 1.00 0.00 C ATOM 1661 SD MET A 100 -3.880 12.419 4.998 1.00 0.00 S ATOM 1662 CE MET A 100 -3.075 13.729 4.043 1.00 0.00 C ATOM 0 H MET A 100 -2.002 7.915 5.622 1.00 0.00 H new ATOM 0 HA MET A 100 -2.108 8.886 2.920 1.00 0.00 H new ATOM 0 HB2 MET A 100 -3.857 9.109 4.731 1.00 0.00 H new ATOM 0 HB3 MET A 100 -2.776 10.136 5.651 1.00 0.00 H new ATOM 0 HG2 MET A 100 -2.789 11.361 3.124 1.00 0.00 H new ATOM 0 HG3 MET A 100 -4.443 10.807 3.293 1.00 0.00 H new ATOM 0 HE1 MET A 100 -3.165 14.676 4.576 1.00 0.00 H new ATOM 0 HE2 MET A 100 -2.021 13.487 3.909 1.00 0.00 H new ATOM 0 HE3 MET A 100 -3.554 13.815 3.068 1.00 0.00 H new ATOM 1672 N ARG A 101 -0.117 10.606 4.908 1.00 0.00 N ATOM 1673 CA ARG A 101 1.013 11.588 4.866 1.00 0.00 C ATOM 1674 C ARG A 101 2.169 11.020 4.029 1.00 0.00 C ATOM 1675 O ARG A 101 2.765 11.718 3.228 1.00 0.00 O ATOM 1676 CB ARG A 101 1.437 11.767 6.330 1.00 0.00 C ATOM 1677 CG ARG A 101 2.470 12.897 6.440 1.00 0.00 C ATOM 1678 CD ARG A 101 1.809 14.246 6.124 1.00 0.00 C ATOM 1679 NE ARG A 101 0.731 14.407 7.148 1.00 0.00 N ATOM 1680 CZ ARG A 101 1.006 14.834 8.364 1.00 0.00 C ATOM 1681 NH1 ARG A 101 2.235 15.141 8.708 1.00 0.00 N ATOM 1682 NH2 ARG A 101 0.042 14.950 9.241 1.00 0.00 N ATOM 0 H ARG A 101 -0.364 10.273 5.840 1.00 0.00 H new ATOM 0 HA ARG A 101 0.727 12.536 4.410 1.00 0.00 H new ATOM 0 HB2 ARG A 101 0.567 11.997 6.944 1.00 0.00 H new ATOM 0 HB3 ARG A 101 1.860 10.838 6.712 1.00 0.00 H new ATOM 0 HG2 ARG A 101 2.894 12.917 7.444 1.00 0.00 H new ATOM 0 HG3 ARG A 101 3.294 12.716 5.750 1.00 0.00 H new ATOM 0 HD2 ARG A 101 2.531 15.061 6.181 1.00 0.00 H new ATOM 0 HD3 ARG A 101 1.397 14.255 5.115 1.00 0.00 H new ATOM 0 HE ARG A 101 -0.233 14.183 6.901 1.00 0.00 H new ATOM 0 HH11 ARG A 101 2.992 15.050 8.030 1.00 0.00 H new ATOM 0 HH12 ARG A 101 2.433 15.470 9.653 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -0.915 14.711 8.982 1.00 0.00 H new ATOM 0 HH22 ARG A 101 0.247 15.280 10.184 1.00 0.00 H new ATOM 1696 N ALA A 102 2.477 9.757 4.205 1.00 0.00 N ATOM 1697 CA ALA A 102 3.585 9.131 3.419 1.00 0.00 C ATOM 1698 C ALA A 102 3.213 9.079 1.932 1.00 0.00 C ATOM 1699 O ALA A 102 4.035 9.336 1.072 1.00 0.00 O ATOM 1700 CB ALA A 102 3.730 7.718 3.984 1.00 0.00 C ATOM 0 H ALA A 102 2.007 9.132 4.861 1.00 0.00 H new ATOM 0 HA ALA A 102 4.514 9.695 3.497 1.00 0.00 H new ATOM 0 HB1 ALA A 102 4.527 7.195 3.455 1.00 0.00 H new ATOM 0 HB2 ALA A 102 3.974 7.774 5.045 1.00 0.00 H new ATOM 0 HB3 ALA A 102 2.793 7.177 3.855 1.00 0.00 H new ATOM 1706 N ILE A 103 1.978 8.753 1.625 1.00 0.00 N ATOM 1707 CA ILE A 103 1.540 8.690 0.193 1.00 0.00 C ATOM 1708 C ILE A 103 1.654 10.079 -0.450 1.00 0.00 C ATOM 1709 O ILE A 103 2.095 10.212 -1.576 1.00 0.00 O ATOM 1710 CB ILE A 103 0.075 8.229 0.237 1.00 0.00 C ATOM 1711 CG1 ILE A 103 0.016 6.746 0.619 1.00 0.00 C ATOM 1712 CG2 ILE A 103 -0.574 8.420 -1.139 1.00 0.00 C ATOM 1713 CD1 ILE A 103 -1.360 6.420 1.206 1.00 0.00 C ATOM 0 H ILE A 103 1.253 8.527 2.307 1.00 0.00 H new ATOM 0 HA ILE A 103 2.155 8.012 -0.399 1.00 0.00 H new ATOM 0 HB ILE A 103 -0.462 8.822 0.977 1.00 0.00 H new ATOM 0 HG12 ILE A 103 0.204 6.127 -0.258 1.00 0.00 H new ATOM 0 HG13 ILE A 103 0.796 6.516 1.345 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -1.612 8.091 -1.100 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -0.537 9.474 -1.416 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -0.034 7.831 -1.881 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -1.399 5.365 1.477 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -1.530 7.029 2.094 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -2.131 6.634 0.466 1.00 0.00 H new ATOM 1725 N GLN A 104 1.266 11.109 0.262 1.00 0.00 N ATOM 1726 CA GLN A 104 1.355 12.493 -0.300 1.00 0.00 C ATOM 1727 C GLN A 104 2.822 12.893 -0.500 1.00 0.00 C ATOM 1728 O GLN A 104 3.176 13.486 -1.500 1.00 0.00 O ATOM 1729 CB GLN A 104 0.686 13.399 0.739 1.00 0.00 C ATOM 1730 CG GLN A 104 -0.695 13.831 0.235 1.00 0.00 C ATOM 1731 CD GLN A 104 -0.550 15.048 -0.686 1.00 0.00 C ATOM 1732 OE1 GLN A 104 -0.353 16.154 -0.223 1.00 0.00 O ATOM 1733 NE2 GLN A 104 -0.639 14.891 -1.978 1.00 0.00 N ATOM 0 H GLN A 104 0.891 11.051 1.209 1.00 0.00 H new ATOM 0 HA GLN A 104 0.870 12.570 -1.273 1.00 0.00 H new ATOM 0 HB2 GLN A 104 0.589 12.871 1.687 1.00 0.00 H new ATOM 0 HB3 GLN A 104 1.307 14.276 0.925 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -1.170 13.010 -0.303 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -1.341 14.076 1.078 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -0.804 13.963 -2.369 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -0.543 15.696 -2.597 1.00 0.00 H new ATOM 1742 N MET A 105 3.678 12.569 0.443 1.00 0.00 N ATOM 1743 CA MET A 105 5.126 12.931 0.302 1.00 0.00 C ATOM 1744 C MET A 105 5.717 12.265 -0.945 1.00 0.00 C ATOM 1745 O MET A 105 6.417 12.889 -1.720 1.00 0.00 O ATOM 1746 CB MET A 105 5.804 12.397 1.569 1.00 0.00 C ATOM 1747 CG MET A 105 5.433 13.278 2.766 1.00 0.00 C ATOM 1748 SD MET A 105 6.702 14.548 3.003 1.00 0.00 S ATOM 1749 CE MET A 105 7.454 13.845 4.491 1.00 0.00 C ATOM 0 H MET A 105 3.437 12.072 1.300 1.00 0.00 H new ATOM 0 HA MET A 105 5.271 14.006 0.190 1.00 0.00 H new ATOM 0 HB2 MET A 105 5.494 11.368 1.753 1.00 0.00 H new ATOM 0 HB3 MET A 105 6.886 12.385 1.436 1.00 0.00 H new ATOM 0 HG2 MET A 105 4.463 13.746 2.599 1.00 0.00 H new ATOM 0 HG3 MET A 105 5.342 12.668 3.665 1.00 0.00 H new ATOM 0 HE1 MET A 105 8.277 14.481 4.818 1.00 0.00 H new ATOM 0 HE2 MET A 105 6.707 13.783 5.282 1.00 0.00 H new ATOM 0 HE3 MET A 105 7.832 12.847 4.271 1.00 0.00 H new ATOM 1759 N VAL A 106 5.430 11.002 -1.146 1.00 0.00 N ATOM 1760 CA VAL A 106 5.963 10.291 -2.348 1.00 0.00 C ATOM 1761 C VAL A 106 5.265 10.818 -3.608 1.00 0.00 C ATOM 1762 O VAL A 106 5.906 11.130 -4.592 1.00 0.00 O ATOM 1763 CB VAL A 106 5.645 8.809 -2.110 1.00 0.00 C ATOM 1764 CG1 VAL A 106 5.867 8.016 -3.398 1.00 0.00 C ATOM 1765 CG2 VAL A 106 6.570 8.263 -1.019 1.00 0.00 C ATOM 0 H VAL A 106 4.850 10.433 -0.529 1.00 0.00 H new ATOM 0 HA VAL A 106 7.032 10.445 -2.493 1.00 0.00 H new ATOM 0 HB VAL A 106 4.605 8.711 -1.800 1.00 0.00 H new ATOM 0 HG11 VAL A 106 5.639 6.965 -3.222 1.00 0.00 H new ATOM 0 HG12 VAL A 106 5.214 8.403 -4.180 1.00 0.00 H new ATOM 0 HG13 VAL A 106 6.906 8.115 -3.711 1.00 0.00 H new ATOM 0 HG21 VAL A 106 6.347 7.210 -0.847 1.00 0.00 H new ATOM 0 HG22 VAL A 106 7.608 8.367 -1.336 1.00 0.00 H new ATOM 0 HG23 VAL A 106 6.414 8.822 -0.097 1.00 0.00 H new ATOM 1775 N ALA A 107 3.958 10.937 -3.574 1.00 0.00 N ATOM 1776 CA ALA A 107 3.216 11.464 -4.763 1.00 0.00 C ATOM 1777 C ALA A 107 3.735 12.860 -5.133 1.00 0.00 C ATOM 1778 O ALA A 107 3.812 13.212 -6.293 1.00 0.00 O ATOM 1779 CB ALA A 107 1.751 11.535 -4.329 1.00 0.00 C ATOM 0 H ALA A 107 3.374 10.692 -2.774 1.00 0.00 H new ATOM 0 HA ALA A 107 3.346 10.830 -5.640 1.00 0.00 H new ATOM 0 HB1 ALA A 107 1.146 11.914 -5.152 1.00 0.00 H new ATOM 0 HB2 ALA A 107 1.405 10.539 -4.052 1.00 0.00 H new ATOM 0 HB3 ALA A 107 1.657 12.203 -3.473 1.00 0.00 H new ATOM 1785 N ASN A 108 4.105 13.652 -4.150 1.00 0.00 N ATOM 1786 CA ASN A 108 4.635 15.022 -4.440 1.00 0.00 C ATOM 1787 C ASN A 108 6.015 14.938 -5.115 1.00 0.00 C ATOM 1788 O ASN A 108 6.438 15.863 -5.782 1.00 0.00 O ATOM 1789 CB ASN A 108 4.753 15.709 -3.077 1.00 0.00 C ATOM 1790 CG ASN A 108 3.493 16.534 -2.806 1.00 0.00 C ATOM 1791 OD1 ASN A 108 3.476 17.729 -3.028 1.00 0.00 O ATOM 1792 ND2 ASN A 108 2.427 15.947 -2.331 1.00 0.00 N ATOM 0 H ASN A 108 4.062 13.407 -3.161 1.00 0.00 H new ATOM 0 HA ASN A 108 3.982 15.570 -5.119 1.00 0.00 H new ATOM 0 HB2 ASN A 108 4.887 14.963 -2.293 1.00 0.00 H new ATOM 0 HB3 ASN A 108 5.632 16.353 -3.058 1.00 0.00 H new ATOM 0 HD21 ASN A 108 1.584 16.491 -2.148 1.00 0.00 H new ATOM 0 HD22 ASN A 108 2.438 14.944 -2.144 1.00 0.00 H new ATOM 1799 N SER A 109 6.718 13.841 -4.944 1.00 0.00 N ATOM 1800 CA SER A 109 8.069 13.705 -5.570 1.00 0.00 C ATOM 1801 C SER A 109 7.949 13.192 -7.013 1.00 0.00 C ATOM 1802 O SER A 109 8.706 13.590 -7.878 1.00 0.00 O ATOM 1803 CB SER A 109 8.810 12.688 -4.698 1.00 0.00 C ATOM 1804 OG SER A 109 10.131 12.511 -5.197 1.00 0.00 O ATOM 0 H SER A 109 6.412 13.036 -4.398 1.00 0.00 H new ATOM 0 HA SER A 109 8.593 14.660 -5.621 1.00 0.00 H new ATOM 0 HB2 SER A 109 8.843 13.034 -3.665 1.00 0.00 H new ATOM 0 HB3 SER A 109 8.279 11.736 -4.699 1.00 0.00 H new ATOM 0 HG SER A 109 10.607 11.861 -4.639 1.00 0.00 H new ATOM 1810 N LEU A 110 7.011 12.312 -7.280 1.00 0.00 N ATOM 1811 CA LEU A 110 6.858 11.782 -8.672 1.00 0.00 C ATOM 1812 C LEU A 110 5.495 12.177 -9.263 1.00 0.00 C ATOM 1813 O LEU A 110 4.857 11.402 -9.953 1.00 0.00 O ATOM 1814 CB LEU A 110 6.994 10.256 -8.541 1.00 0.00 C ATOM 1815 CG LEU A 110 5.811 9.671 -7.756 1.00 0.00 C ATOM 1816 CD1 LEU A 110 5.070 8.654 -8.628 1.00 0.00 C ATOM 1817 CD2 LEU A 110 6.333 8.971 -6.501 1.00 0.00 C ATOM 0 H LEU A 110 6.349 11.941 -6.598 1.00 0.00 H new ATOM 0 HA LEU A 110 7.606 12.192 -9.350 1.00 0.00 H new ATOM 0 HB2 LEU A 110 7.039 9.804 -9.532 1.00 0.00 H new ATOM 0 HB3 LEU A 110 7.929 10.011 -8.036 1.00 0.00 H new ATOM 0 HG LEU A 110 5.130 10.474 -7.474 1.00 0.00 H new ATOM 0 HD11 LEU A 110 4.231 8.239 -8.070 1.00 0.00 H new ATOM 0 HD12 LEU A 110 4.700 9.147 -9.527 1.00 0.00 H new ATOM 0 HD13 LEU A 110 5.751 7.851 -8.909 1.00 0.00 H new ATOM 0 HD21 LEU A 110 5.495 8.555 -5.942 1.00 0.00 H new ATOM 0 HD22 LEU A 110 7.012 8.168 -6.788 1.00 0.00 H new ATOM 0 HD23 LEU A 110 6.864 9.690 -5.877 1.00 0.00 H new ATOM 1829 N LYS A 111 5.055 13.383 -9.006 1.00 0.00 N ATOM 1830 CA LYS A 111 3.738 13.846 -9.557 1.00 0.00 C ATOM 1831 C LYS A 111 3.864 14.218 -11.046 1.00 0.00 C ATOM 1832 O LYS A 111 3.071 13.766 -11.869 1.00 0.00 O ATOM 1833 CB LYS A 111 3.357 15.081 -8.726 1.00 0.00 C ATOM 1834 CG LYS A 111 4.468 16.137 -8.808 1.00 0.00 C ATOM 1835 CD LYS A 111 3.897 17.446 -9.361 1.00 0.00 C ATOM 1836 CE LYS A 111 4.192 17.541 -10.863 1.00 0.00 C ATOM 1837 NZ LYS A 111 2.887 17.291 -11.538 1.00 0.00 N ATOM 1838 OXT LYS A 111 4.981 14.335 -11.527 1.00 0.00 O ATOM 0 H LYS A 111 5.550 14.070 -8.438 1.00 0.00 H new ATOM 0 HA LYS A 111 2.982 13.063 -9.494 1.00 0.00 H new ATOM 0 HB2 LYS A 111 2.419 15.500 -9.092 1.00 0.00 H new ATOM 0 HB3 LYS A 111 3.194 14.794 -7.687 1.00 0.00 H new ATOM 0 HG2 LYS A 111 4.897 16.305 -7.820 1.00 0.00 H new ATOM 0 HG3 LYS A 111 5.274 15.781 -9.449 1.00 0.00 H new ATOM 0 HD2 LYS A 111 2.822 17.487 -9.188 1.00 0.00 H new ATOM 0 HD3 LYS A 111 4.337 18.296 -8.839 1.00 0.00 H new ATOM 0 HE2 LYS A 111 4.588 18.522 -11.124 1.00 0.00 H new ATOM 0 HE3 LYS A 111 4.938 16.805 -11.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 3.053 17.055 -12.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 2.401 16.499 -11.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 2.296 18.144 -11.477 1.00 0.00 H new TER 1852 LYS A 111