USER MOD reduce.3.24.130724 H: found=0, std=0, add=897, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 895 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 2 GLN : amide:sc= -0.616 K(o=-7.3,f=-4.2) USER MOD Set 1.2: A 119 GLN : amide:sc= -6.65! C(o=-7.3!,f=-4!) USER MOD Set 2.1: A 100 THR OG1 : rot 130:sc= 0.796 USER MOD Set 2.2: A 101 LYS NZ :NH3+ -161:sc= -0.0226! (180deg=-1.29!) USER MOD Set 3.1: A 71 ASN : amide:sc= -1.15 K(o=-0.031,f=-9.4!) USER MOD Set 3.2: A 74 THR OG1 : rot -160:sc= 1.12 USER MOD Set 4.1: A 11 HIS : no HD1:sc= -1.5 X(o=-1.5,f=-1.5) USER MOD Set 4.2: A 13 TYR OH : rot 139:sc= 0.00528 USER MOD Single : A 1 GLU N :NH3+ 178:sc= -1.09! (180deg=-1.27!) USER MOD Single : A 4 ASN : amide:sc= -0.927 K(o=-0.93,f=-0.044) USER MOD Single : A 9 THR OG1 : rot -89:sc= 1.2 USER MOD Single : A 10 TYR OH : rot -176:sc= 1.01 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -0.079 K(o=-0.079,f=-2.3!) USER MOD Single : A 18 ASN : amide:sc= 0.837 K(o=0.84,f=-0.83) USER MOD Single : A 19 ASN : amide:sc= -2.51 K(o=-2.5,f=-13!) USER MOD Single : A 28 SER OG : rot 53:sc= 0.393 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot -93:sc= 1.22 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 180:sc= 0.261 USER MOD Single : A 44 SER OG : rot -84:sc= 1.02 USER MOD Single : A 45 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0947) USER MOD Single : A 46 TYR OH : rot -110:sc= 1.34 USER MOD Single : A 49 THR OG1 : rot 34:sc= 0.878 USER MOD Single : A 60 GLN : amide:sc= -0.0205 K(o=-0.02,f=-0.85) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.318 USER MOD Single : A 77 GLN : amide:sc= 0.0183 K(o=0.018,f=-9.3!) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 ASN : amide:sc= -2.89! K(o=-2.9!,f=0.03) USER MOD Single : A 97 THR OG1 : rot -130:sc= -0.824! USER MOD Single : A 104 THR OG1 : rot 180:sc= 0.112 USER MOD Single : A 105 ASN : amide:sc= -0.953! C(o=-0.95!,f=-15!) USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 111 GLN : amide:sc= -0.0214 X(o=-0.021,f=-0.29) USER MOD Single : A 113 HIS : no HE2:sc= -0.259! C(o=-0.26!,f=-5.6!) USER MOD Single : A 115 ASN : amide:sc= -2.35 K(o=-2.4,f=-7.3!) USER MOD Single : A 117 ASN : amide:sc= -7.66! C(o=-7.7!,f=-12!) USER MOD Single : A 118 TYR OH : rot 52:sc= 0.31 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 3.935 16.607 -1.029 1.00 0.00 N ATOM 2 CA GLU A 1 3.314 15.568 -1.922 1.00 0.00 C ATOM 3 C GLU A 1 4.427 14.709 -2.609 1.00 0.00 C ATOM 4 O GLU A 1 4.256 14.154 -3.685 1.00 0.00 O ATOM 5 CB GLU A 1 2.417 16.272 -3.019 1.00 0.00 C ATOM 6 CG GLU A 1 1.520 17.430 -2.429 1.00 0.00 C ATOM 7 CD GLU A 1 2.368 18.665 -2.089 1.00 0.00 C ATOM 8 OE1 GLU A 1 2.803 19.307 -3.020 1.00 0.00 O ATOM 9 OE2 GLU A 1 2.553 18.858 -0.898 1.00 0.00 O ATOM 0 H1 GLU A 1 3.187 17.192 -0.605 1.00 0.00 H new ATOM 0 H2 GLU A 1 4.477 16.138 -0.275 1.00 0.00 H new ATOM 0 H3 GLU A 1 4.571 17.210 -1.588 1.00 0.00 H new ATOM 0 HA GLU A 1 2.689 14.910 -1.318 1.00 0.00 H new ATOM 0 HB2 GLU A 1 3.059 16.679 -3.800 1.00 0.00 H new ATOM 0 HB3 GLU A 1 1.776 15.527 -3.490 1.00 0.00 H new ATOM 0 HG2 GLU A 1 0.749 17.701 -3.150 1.00 0.00 H new ATOM 0 HG3 GLU A 1 1.008 17.078 -1.533 1.00 0.00 H new ATOM 18 N GLN A 2 5.556 14.609 -1.945 1.00 0.00 N ATOM 19 CA GLN A 2 6.704 13.825 -2.483 1.00 0.00 C ATOM 20 C GLN A 2 7.551 13.207 -1.370 1.00 0.00 C ATOM 21 O GLN A 2 7.784 13.831 -0.351 1.00 0.00 O ATOM 22 CB GLN A 2 7.546 14.784 -3.346 1.00 0.00 C ATOM 23 CG GLN A 2 9.010 14.266 -3.517 1.00 0.00 C ATOM 24 CD GLN A 2 9.652 14.953 -4.707 1.00 0.00 C ATOM 25 OE1 GLN A 2 9.389 16.088 -5.023 1.00 0.00 O ATOM 26 NE2 GLN A 2 10.515 14.311 -5.408 1.00 0.00 N ATOM 0 H GLN A 2 5.728 15.046 -1.040 1.00 0.00 H new ATOM 0 HA GLN A 2 6.333 12.989 -3.077 1.00 0.00 H new ATOM 0 HB2 GLN A 2 7.082 14.896 -4.326 1.00 0.00 H new ATOM 0 HB3 GLN A 2 7.560 15.772 -2.886 1.00 0.00 H new ATOM 0 HG2 GLN A 2 9.586 14.466 -2.613 1.00 0.00 H new ATOM 0 HG3 GLN A 2 9.011 13.186 -3.663 1.00 0.00 H new ATOM 0 HE21 GLN A 2 10.757 13.351 -5.164 1.00 0.00 H new ATOM 0 HE22 GLN A 2 10.959 14.761 -6.208 1.00 0.00 H new ATOM 35 N ALA A 3 7.984 12.000 -1.609 1.00 0.00 N ATOM 36 CA ALA A 3 8.824 11.298 -0.602 1.00 0.00 C ATOM 37 C ALA A 3 9.931 10.477 -1.309 1.00 0.00 C ATOM 38 O ALA A 3 9.740 10.034 -2.429 1.00 0.00 O ATOM 39 CB ALA A 3 7.873 10.420 0.205 1.00 0.00 C ATOM 0 H ALA A 3 7.792 11.470 -2.459 1.00 0.00 H new ATOM 0 HA ALA A 3 9.342 11.992 0.060 1.00 0.00 H new ATOM 0 HB1 ALA A 3 8.435 9.877 0.964 1.00 0.00 H new ATOM 0 HB2 ALA A 3 7.122 11.045 0.688 1.00 0.00 H new ATOM 0 HB3 ALA A 3 7.381 9.710 -0.460 1.00 0.00 H new ATOM 45 N ASN A 4 11.032 10.300 -0.624 1.00 0.00 N ATOM 46 CA ASN A 4 12.203 9.524 -1.157 1.00 0.00 C ATOM 47 C ASN A 4 12.569 8.451 -0.107 1.00 0.00 C ATOM 48 O ASN A 4 12.157 8.601 1.024 1.00 0.00 O ATOM 49 CB ASN A 4 13.401 10.523 -1.430 1.00 0.00 C ATOM 50 CG ASN A 4 13.784 11.454 -0.273 1.00 0.00 C ATOM 51 OD1 ASN A 4 14.883 11.469 0.232 1.00 0.00 O ATOM 52 ND2 ASN A 4 12.935 12.295 0.217 1.00 0.00 N ATOM 0 H ASN A 4 11.176 10.673 0.315 1.00 0.00 H new ATOM 0 HA ASN A 4 11.969 9.029 -2.099 1.00 0.00 H new ATOM 0 HB2 ASN A 4 14.279 9.938 -1.704 1.00 0.00 H new ATOM 0 HB3 ASN A 4 13.145 11.137 -2.293 1.00 0.00 H new ATOM 0 HD21 ASN A 4 13.212 12.914 0.979 1.00 0.00 H new ATOM 0 HD22 ASN A 4 11.988 12.340 -0.158 1.00 0.00 H new ATOM 59 N ASP A 5 13.297 7.435 -0.479 1.00 0.00 N ATOM 60 CA ASP A 5 13.710 6.344 0.458 1.00 0.00 C ATOM 61 C ASP A 5 12.745 6.018 1.639 1.00 0.00 C ATOM 62 O ASP A 5 12.964 6.258 2.815 1.00 0.00 O ATOM 63 CB ASP A 5 15.136 6.769 0.882 1.00 0.00 C ATOM 64 CG ASP A 5 16.022 6.487 -0.328 1.00 0.00 C ATOM 65 OD1 ASP A 5 16.305 5.315 -0.524 1.00 0.00 O ATOM 66 OD2 ASP A 5 16.348 7.454 -0.991 1.00 0.00 O ATOM 0 H ASP A 5 13.637 7.309 -1.432 1.00 0.00 H new ATOM 0 HA ASP A 5 13.677 5.373 -0.037 1.00 0.00 H new ATOM 0 HB2 ASP A 5 15.167 7.824 1.153 1.00 0.00 H new ATOM 0 HB3 ASP A 5 15.471 6.206 1.753 1.00 0.00 H new ATOM 71 N VAL A 6 11.653 5.452 1.205 1.00 0.00 N ATOM 72 CA VAL A 6 10.563 5.038 2.146 1.00 0.00 C ATOM 73 C VAL A 6 10.482 3.495 2.181 1.00 0.00 C ATOM 74 O VAL A 6 10.849 2.820 1.232 1.00 0.00 O ATOM 75 CB VAL A 6 9.228 5.666 1.645 1.00 0.00 C ATOM 76 CG1 VAL A 6 8.120 5.568 2.719 1.00 0.00 C ATOM 77 CG2 VAL A 6 9.441 7.146 1.303 1.00 0.00 C ATOM 0 H VAL A 6 11.463 5.254 0.223 1.00 0.00 H new ATOM 0 HA VAL A 6 10.762 5.387 3.159 1.00 0.00 H new ATOM 0 HB VAL A 6 8.917 5.110 0.761 1.00 0.00 H new ATOM 0 HG11 VAL A 6 7.202 6.015 2.337 1.00 0.00 H new ATOM 0 HG12 VAL A 6 7.940 4.521 2.961 1.00 0.00 H new ATOM 0 HG13 VAL A 6 8.436 6.099 3.617 1.00 0.00 H new ATOM 0 HG21 VAL A 6 8.503 7.577 0.954 1.00 0.00 H new ATOM 0 HG22 VAL A 6 9.777 7.680 2.192 1.00 0.00 H new ATOM 0 HG23 VAL A 6 10.194 7.234 0.520 1.00 0.00 H new ATOM 87 N ARG A 7 9.987 2.974 3.271 1.00 0.00 N ATOM 88 CA ARG A 7 9.877 1.486 3.393 1.00 0.00 C ATOM 89 C ARG A 7 8.670 0.930 2.614 1.00 0.00 C ATOM 90 O ARG A 7 7.519 1.153 2.950 1.00 0.00 O ATOM 91 CB ARG A 7 9.757 1.135 4.901 1.00 0.00 C ATOM 92 CG ARG A 7 9.619 -0.408 5.096 1.00 0.00 C ATOM 93 CD ARG A 7 9.173 -0.669 6.531 1.00 0.00 C ATOM 94 NE ARG A 7 8.977 -2.152 6.642 1.00 0.00 N ATOM 95 CZ ARG A 7 9.355 -2.827 7.661 1.00 0.00 C ATOM 96 NH1 ARG A 7 10.585 -2.806 8.001 1.00 0.00 N ATOM 97 NH2 ARG A 7 8.443 -3.481 8.262 1.00 0.00 N ATOM 0 H ARG A 7 9.656 3.505 4.076 1.00 0.00 H new ATOM 0 HA ARG A 7 10.766 1.027 2.960 1.00 0.00 H new ATOM 0 HB2 ARG A 7 10.635 1.498 5.435 1.00 0.00 H new ATOM 0 HB3 ARG A 7 8.892 1.640 5.330 1.00 0.00 H new ATOM 0 HG2 ARG A 7 8.894 -0.817 4.392 1.00 0.00 H new ATOM 0 HG3 ARG A 7 10.570 -0.903 4.897 1.00 0.00 H new ATOM 0 HD2 ARG A 7 9.923 -0.321 7.242 1.00 0.00 H new ATOM 0 HD3 ARG A 7 8.249 -0.136 6.755 1.00 0.00 H new ATOM 0 HE ARG A 7 8.523 -2.643 5.872 1.00 0.00 H new ATOM 0 HH11 ARG A 7 11.254 -2.255 7.462 1.00 0.00 H new ATOM 0 HH12 ARG A 7 10.899 -3.340 8.811 1.00 0.00 H new ATOM 0 HH21 ARG A 7 7.482 -3.445 7.923 1.00 0.00 H new ATOM 0 HH22 ARG A 7 8.674 -4.041 9.083 1.00 0.00 H new ATOM 111 N ALA A 8 8.984 0.218 1.564 1.00 0.00 N ATOM 112 CA ALA A 8 7.922 -0.394 0.721 1.00 0.00 C ATOM 113 C ALA A 8 8.189 -1.906 0.657 1.00 0.00 C ATOM 114 O ALA A 8 9.199 -2.335 0.135 1.00 0.00 O ATOM 115 CB ALA A 8 7.985 0.246 -0.673 1.00 0.00 C ATOM 0 H ALA A 8 9.938 0.034 1.254 1.00 0.00 H new ATOM 0 HA ALA A 8 6.926 -0.227 1.132 1.00 0.00 H new ATOM 0 HB1 ALA A 8 7.213 -0.189 -1.308 1.00 0.00 H new ATOM 0 HB2 ALA A 8 7.822 1.320 -0.588 1.00 0.00 H new ATOM 0 HB3 ALA A 8 8.965 0.062 -1.114 1.00 0.00 H new ATOM 121 N THR A 9 7.301 -2.686 1.200 1.00 0.00 N ATOM 122 CA THR A 9 7.490 -4.178 1.166 1.00 0.00 C ATOM 123 C THR A 9 6.268 -4.623 0.351 1.00 0.00 C ATOM 124 O THR A 9 5.459 -3.802 -0.029 1.00 0.00 O ATOM 125 CB THR A 9 7.451 -4.837 2.605 1.00 0.00 C ATOM 126 OG1 THR A 9 6.099 -5.143 2.876 1.00 0.00 O ATOM 127 CG2 THR A 9 7.764 -3.871 3.749 1.00 0.00 C ATOM 0 H THR A 9 6.452 -2.366 1.667 1.00 0.00 H new ATOM 0 HA THR A 9 8.457 -4.470 0.757 1.00 0.00 H new ATOM 0 HB THR A 9 8.169 -5.657 2.575 1.00 0.00 H new ATOM 0 HG1 THR A 9 5.670 -4.375 3.307 1.00 0.00 H new ATOM 0 HG21 THR A 9 7.716 -4.404 4.699 1.00 0.00 H new ATOM 0 HG22 THR A 9 8.764 -3.459 3.614 1.00 0.00 H new ATOM 0 HG23 THR A 9 7.035 -3.060 3.750 1.00 0.00 H new ATOM 135 N TYR A 10 6.127 -5.886 0.082 1.00 0.00 N ATOM 136 CA TYR A 10 4.956 -6.413 -0.722 1.00 0.00 C ATOM 137 C TYR A 10 4.194 -7.533 0.033 1.00 0.00 C ATOM 138 O TYR A 10 4.713 -8.049 1.002 1.00 0.00 O ATOM 139 CB TYR A 10 5.550 -6.930 -2.064 1.00 0.00 C ATOM 140 CG TYR A 10 6.768 -7.829 -1.727 1.00 0.00 C ATOM 141 CD1 TYR A 10 6.583 -9.067 -1.145 1.00 0.00 C ATOM 142 CD2 TYR A 10 8.067 -7.406 -1.971 1.00 0.00 C ATOM 143 CE1 TYR A 10 7.660 -9.849 -0.817 1.00 0.00 C ATOM 144 CE2 TYR A 10 9.151 -8.209 -1.633 1.00 0.00 C ATOM 145 CZ TYR A 10 8.935 -9.444 -1.049 1.00 0.00 C ATOM 146 OH TYR A 10 9.886 -10.358 -0.656 1.00 0.00 O ATOM 0 H TYR A 10 6.782 -6.606 0.386 1.00 0.00 H new ATOM 0 HA TYR A 10 4.219 -5.628 -0.894 1.00 0.00 H new ATOM 0 HB2 TYR A 10 4.802 -7.493 -2.621 1.00 0.00 H new ATOM 0 HB3 TYR A 10 5.854 -6.094 -2.694 1.00 0.00 H new ATOM 0 HD1 TYR A 10 5.582 -9.422 -0.947 1.00 0.00 H new ATOM 0 HD2 TYR A 10 8.238 -6.443 -2.428 1.00 0.00 H new ATOM 0 HE1 TYR A 10 7.490 -10.813 -0.362 1.00 0.00 H new ATOM 0 HE2 TYR A 10 10.158 -7.869 -1.826 1.00 0.00 H new ATOM 0 HH TYR A 10 10.780 -9.980 -0.793 1.00 0.00 H new ATOM 156 N HIS A 11 3.006 -7.911 -0.374 1.00 0.00 N ATOM 157 CA HIS A 11 2.266 -9.005 0.349 1.00 0.00 C ATOM 158 C HIS A 11 1.178 -9.599 -0.568 1.00 0.00 C ATOM 159 O HIS A 11 0.324 -8.901 -1.063 1.00 0.00 O ATOM 160 CB HIS A 11 1.650 -8.439 1.681 1.00 0.00 C ATOM 161 CG HIS A 11 1.082 -7.044 1.525 1.00 0.00 C ATOM 162 ND1 HIS A 11 1.798 -5.979 1.454 1.00 0.00 N ATOM 163 CD2 HIS A 11 -0.217 -6.603 1.426 1.00 0.00 C ATOM 164 CE1 HIS A 11 1.018 -4.948 1.320 1.00 0.00 C ATOM 165 NE2 HIS A 11 -0.245 -5.294 1.300 1.00 0.00 N ATOM 0 H HIS A 11 2.514 -7.513 -1.174 1.00 0.00 H new ATOM 0 HA HIS A 11 2.958 -9.806 0.609 1.00 0.00 H new ATOM 0 HB2 HIS A 11 0.862 -9.110 2.024 1.00 0.00 H new ATOM 0 HB3 HIS A 11 2.418 -8.428 2.454 1.00 0.00 H new ATOM 0 HD2 HIS A 11 -1.089 -7.240 1.448 1.00 0.00 H new ATOM 0 HE1 HIS A 11 1.369 -3.930 1.235 1.00 0.00 H new ATOM 0 HE2 HIS A 11 -1.061 -4.689 1.208 1.00 0.00 H new ATOM 173 N TYR A 12 1.209 -10.882 -0.775 1.00 0.00 N ATOM 174 CA TYR A 12 0.184 -11.506 -1.665 1.00 0.00 C ATOM 175 C TYR A 12 -1.134 -11.718 -0.917 1.00 0.00 C ATOM 176 O TYR A 12 -1.176 -12.275 0.167 1.00 0.00 O ATOM 177 CB TYR A 12 0.750 -12.866 -2.213 1.00 0.00 C ATOM 178 CG TYR A 12 1.669 -13.524 -1.179 1.00 0.00 C ATOM 179 CD1 TYR A 12 2.977 -13.100 -1.083 1.00 0.00 C ATOM 180 CD2 TYR A 12 1.218 -14.512 -0.332 1.00 0.00 C ATOM 181 CE1 TYR A 12 3.826 -13.650 -0.153 1.00 0.00 C ATOM 182 CE2 TYR A 12 2.074 -15.063 0.600 1.00 0.00 C ATOM 183 CZ TYR A 12 3.374 -14.635 0.691 1.00 0.00 C ATOM 184 OH TYR A 12 4.205 -15.196 1.629 1.00 0.00 O ATOM 0 H TYR A 12 1.891 -11.525 -0.373 1.00 0.00 H new ATOM 0 HA TYR A 12 -0.026 -10.840 -2.502 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -0.074 -13.538 -2.455 1.00 0.00 H new ATOM 0 HB3 TYR A 12 1.300 -12.691 -3.137 1.00 0.00 H new ATOM 0 HD1 TYR A 12 3.338 -12.327 -1.746 1.00 0.00 H new ATOM 0 HD2 TYR A 12 0.196 -14.855 -0.397 1.00 0.00 H new ATOM 0 HE1 TYR A 12 4.848 -13.308 -0.086 1.00 0.00 H new ATOM 0 HE2 TYR A 12 1.717 -15.837 1.263 1.00 0.00 H new ATOM 0 HH TYR A 12 3.714 -15.875 2.137 1.00 0.00 H new ATOM 194 N TYR A 13 -2.154 -11.245 -1.593 1.00 0.00 N ATOM 195 CA TYR A 13 -3.552 -11.330 -1.074 1.00 0.00 C ATOM 196 C TYR A 13 -4.202 -12.569 -1.675 1.00 0.00 C ATOM 197 O TYR A 13 -4.492 -13.507 -0.967 1.00 0.00 O ATOM 198 CB TYR A 13 -4.381 -10.071 -1.493 1.00 0.00 C ATOM 199 CG TYR A 13 -4.176 -8.941 -0.485 1.00 0.00 C ATOM 200 CD1 TYR A 13 -4.720 -9.024 0.783 1.00 0.00 C ATOM 201 CD2 TYR A 13 -3.440 -7.829 -0.826 1.00 0.00 C ATOM 202 CE1 TYR A 13 -4.522 -8.002 1.694 1.00 0.00 C ATOM 203 CE2 TYR A 13 -3.251 -6.819 0.089 1.00 0.00 C ATOM 204 CZ TYR A 13 -3.781 -6.902 1.334 1.00 0.00 C ATOM 205 OH TYR A 13 -3.533 -5.863 2.196 1.00 0.00 O ATOM 0 H TYR A 13 -2.071 -10.793 -2.504 1.00 0.00 H new ATOM 0 HA TYR A 13 -3.530 -11.382 0.015 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -4.077 -9.741 -2.486 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -5.439 -10.327 -1.552 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -5.302 -9.890 1.063 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -3.010 -7.749 -1.814 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -4.948 -8.068 2.684 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -2.673 -5.949 -0.188 1.00 0.00 H new ATOM 0 HH TYR A 13 -2.604 -5.567 2.094 1.00 0.00 H new ATOM 215 N ARG A 14 -4.415 -12.554 -2.964 1.00 0.00 N ATOM 216 CA ARG A 14 -5.056 -13.724 -3.658 1.00 0.00 C ATOM 217 C ARG A 14 -4.421 -14.090 -5.017 1.00 0.00 C ATOM 218 O ARG A 14 -4.138 -15.256 -5.214 1.00 0.00 O ATOM 219 CB ARG A 14 -6.587 -13.425 -3.840 1.00 0.00 C ATOM 220 CG ARG A 14 -7.444 -14.292 -2.863 1.00 0.00 C ATOM 221 CD ARG A 14 -7.200 -15.798 -3.155 1.00 0.00 C ATOM 222 NE ARG A 14 -8.410 -16.568 -2.703 1.00 0.00 N ATOM 223 CZ ARG A 14 -9.007 -17.412 -3.463 1.00 0.00 C ATOM 224 NH1 ARG A 14 -9.822 -16.930 -4.317 1.00 0.00 N ATOM 225 NH2 ARG A 14 -8.747 -18.654 -3.308 1.00 0.00 N ATOM 0 H ARG A 14 -4.172 -11.776 -3.577 1.00 0.00 H new ATOM 0 HA ARG A 14 -4.893 -14.594 -3.022 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -6.779 -12.368 -3.658 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -6.882 -13.630 -4.869 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -7.180 -14.064 -1.830 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -8.501 -14.055 -2.981 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -7.026 -15.955 -4.219 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -6.310 -16.147 -2.631 1.00 0.00 H new ATOM 0 HE ARG A 14 -8.768 -16.414 -1.760 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -9.970 -15.922 -4.369 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -10.326 -17.552 -4.949 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -8.081 -18.950 -2.595 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -9.206 -19.349 -3.897 1.00 0.00 H new ATOM 239 N PRO A 15 -4.216 -13.152 -5.922 1.00 0.00 N ATOM 240 CA PRO A 15 -4.867 -11.810 -5.962 1.00 0.00 C ATOM 241 C PRO A 15 -6.149 -11.687 -6.796 1.00 0.00 C ATOM 242 O PRO A 15 -7.252 -11.750 -6.282 1.00 0.00 O ATOM 243 CB PRO A 15 -3.757 -10.908 -6.466 1.00 0.00 C ATOM 244 CG PRO A 15 -2.772 -11.842 -7.284 1.00 0.00 C ATOM 245 CD PRO A 15 -3.234 -13.308 -7.033 1.00 0.00 C ATOM 0 HA PRO A 15 -5.253 -11.550 -4.977 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -4.156 -10.114 -7.097 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -3.239 -10.426 -5.637 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -2.805 -11.602 -8.347 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -1.742 -11.699 -6.957 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -3.691 -13.747 -7.920 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -2.402 -13.953 -6.751 1.00 0.00 H new ATOM 253 N ALA A 16 -6.039 -11.538 -8.089 1.00 0.00 N ATOM 254 CA ALA A 16 -7.288 -11.403 -8.899 1.00 0.00 C ATOM 255 C ALA A 16 -8.147 -12.694 -8.914 1.00 0.00 C ATOM 256 O ALA A 16 -9.136 -12.785 -9.615 1.00 0.00 O ATOM 257 CB ALA A 16 -6.847 -10.964 -10.314 1.00 0.00 C ATOM 0 H ALA A 16 -5.163 -11.504 -8.611 1.00 0.00 H new ATOM 0 HA ALA A 16 -7.948 -10.659 -8.453 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -7.725 -10.850 -10.950 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -6.318 -10.013 -10.252 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -6.186 -11.719 -10.740 1.00 0.00 H new ATOM 263 N GLN A 17 -7.736 -13.645 -8.105 1.00 0.00 N ATOM 264 CA GLN A 17 -8.436 -14.966 -7.964 1.00 0.00 C ATOM 265 C GLN A 17 -9.850 -14.655 -7.388 1.00 0.00 C ATOM 266 O GLN A 17 -10.819 -15.266 -7.780 1.00 0.00 O ATOM 267 CB GLN A 17 -7.598 -15.858 -7.012 1.00 0.00 C ATOM 268 CG GLN A 17 -6.073 -15.813 -7.375 1.00 0.00 C ATOM 269 CD GLN A 17 -5.739 -16.127 -8.833 1.00 0.00 C ATOM 270 OE1 GLN A 17 -4.791 -15.607 -9.371 1.00 0.00 O ATOM 271 NE2 GLN A 17 -6.440 -16.950 -9.540 1.00 0.00 N ATOM 0 H GLN A 17 -6.910 -13.555 -7.513 1.00 0.00 H new ATOM 0 HA GLN A 17 -8.541 -15.501 -8.908 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -7.738 -15.526 -5.983 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -7.956 -16.886 -7.066 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -5.689 -14.821 -7.137 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -5.544 -16.521 -6.738 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -7.250 -17.414 -9.129 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -6.183 -17.136 -10.509 1.00 0.00 H new ATOM 280 N ASN A 18 -9.921 -13.728 -6.454 1.00 0.00 N ATOM 281 CA ASN A 18 -11.233 -13.295 -5.823 1.00 0.00 C ATOM 282 C ASN A 18 -11.361 -11.834 -6.366 1.00 0.00 C ATOM 283 O ASN A 18 -11.891 -10.928 -5.755 1.00 0.00 O ATOM 284 CB ASN A 18 -11.099 -13.284 -4.283 1.00 0.00 C ATOM 285 CG ASN A 18 -12.459 -13.130 -3.568 1.00 0.00 C ATOM 286 OD1 ASN A 18 -13.516 -13.505 -4.030 1.00 0.00 O ATOM 287 ND2 ASN A 18 -12.452 -12.576 -2.402 1.00 0.00 N ATOM 0 H ASN A 18 -9.105 -13.236 -6.089 1.00 0.00 H new ATOM 0 HA ASN A 18 -12.083 -13.937 -6.052 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -10.624 -14.210 -3.957 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -10.442 -12.467 -3.985 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -13.325 -12.461 -1.887 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -11.574 -12.254 -1.996 1.00 0.00 H new ATOM 294 N ASN A 19 -10.838 -11.738 -7.565 1.00 0.00 N ATOM 295 CA ASN A 19 -10.747 -10.522 -8.404 1.00 0.00 C ATOM 296 C ASN A 19 -10.418 -9.271 -7.586 1.00 0.00 C ATOM 297 O ASN A 19 -11.143 -8.301 -7.670 1.00 0.00 O ATOM 298 CB ASN A 19 -12.082 -10.323 -9.163 1.00 0.00 C ATOM 299 CG ASN A 19 -11.893 -9.201 -10.188 1.00 0.00 C ATOM 300 OD1 ASN A 19 -12.818 -8.631 -10.719 1.00 0.00 O ATOM 301 ND2 ASN A 19 -10.715 -8.795 -10.545 1.00 0.00 N ATOM 0 H ASN A 19 -10.432 -12.550 -8.030 1.00 0.00 H new ATOM 0 HA ASN A 19 -9.929 -10.666 -9.110 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -12.376 -11.247 -9.662 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -12.880 -10.069 -8.466 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -10.620 -8.044 -11.229 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -9.883 -9.226 -10.142 1.00 0.00 H new ATOM 308 N TRP A 20 -9.337 -9.383 -6.840 1.00 0.00 N ATOM 309 CA TRP A 20 -8.834 -8.270 -5.969 1.00 0.00 C ATOM 310 C TRP A 20 -9.638 -8.469 -4.708 1.00 0.00 C ATOM 311 O TRP A 20 -10.799 -8.111 -4.641 1.00 0.00 O ATOM 312 CB TRP A 20 -9.121 -6.847 -6.533 1.00 0.00 C ATOM 313 CG TRP A 20 -8.430 -6.600 -7.883 1.00 0.00 C ATOM 314 CD1 TRP A 20 -9.220 -6.634 -8.930 1.00 0.00 C ATOM 315 CD2 TRP A 20 -7.152 -6.364 -8.294 1.00 0.00 C ATOM 316 NE1 TRP A 20 -8.420 -6.428 -9.947 1.00 0.00 N ATOM 317 CE2 TRP A 20 -7.150 -6.253 -9.663 1.00 0.00 C ATOM 318 CE3 TRP A 20 -5.944 -6.212 -7.676 1.00 0.00 C ATOM 319 CZ2 TRP A 20 -5.985 -6.008 -10.349 1.00 0.00 C ATOM 320 CZ3 TRP A 20 -4.777 -5.968 -8.370 1.00 0.00 C ATOM 321 CH2 TRP A 20 -4.792 -5.865 -9.717 1.00 0.00 C ATOM 0 H TRP A 20 -8.767 -10.228 -6.800 1.00 0.00 H new ATOM 0 HA TRP A 20 -7.750 -8.311 -5.859 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -10.197 -6.716 -6.650 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -8.785 -6.100 -5.814 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -10.288 -6.795 -8.949 1.00 0.00 H new ATOM 0 HE1 TRP A 20 -8.765 -6.405 -10.907 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -5.900 -6.286 -6.599 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 -6.019 -5.927 -11.425 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 -3.846 -5.859 -7.833 1.00 0.00 H new ATOM 0 HH2 TRP A 20 -3.885 -5.675 -10.272 1.00 0.00 H new ATOM 332 N ASP A 21 -8.976 -9.045 -3.758 1.00 0.00 N ATOM 333 CA ASP A 21 -9.568 -9.345 -2.444 1.00 0.00 C ATOM 334 C ASP A 21 -10.102 -8.107 -1.646 1.00 0.00 C ATOM 335 O ASP A 21 -10.037 -8.089 -0.436 1.00 0.00 O ATOM 336 CB ASP A 21 -8.407 -10.142 -1.779 1.00 0.00 C ATOM 337 CG ASP A 21 -8.916 -11.268 -0.904 1.00 0.00 C ATOM 338 OD1 ASP A 21 -9.807 -11.946 -1.391 1.00 0.00 O ATOM 339 OD2 ASP A 21 -8.362 -11.383 0.172 1.00 0.00 O ATOM 0 H ASP A 21 -8.001 -9.332 -3.847 1.00 0.00 H new ATOM 0 HA ASP A 21 -10.503 -9.904 -2.495 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -7.758 -10.551 -2.554 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -7.799 -9.464 -1.179 1.00 0.00 H new ATOM 344 N LEU A 22 -10.639 -7.089 -2.292 1.00 0.00 N ATOM 345 CA LEU A 22 -11.154 -5.909 -1.552 1.00 0.00 C ATOM 346 C LEU A 22 -12.542 -6.266 -1.037 1.00 0.00 C ATOM 347 O LEU A 22 -13.016 -5.652 -0.103 1.00 0.00 O ATOM 348 CB LEU A 22 -11.239 -4.691 -2.497 1.00 0.00 C ATOM 349 CG LEU A 22 -9.930 -4.409 -3.254 1.00 0.00 C ATOM 350 CD1 LEU A 22 -10.037 -2.995 -3.835 1.00 0.00 C ATOM 351 CD2 LEU A 22 -8.711 -4.440 -2.310 1.00 0.00 C ATOM 0 H LEU A 22 -10.738 -7.036 -3.306 1.00 0.00 H new ATOM 0 HA LEU A 22 -10.491 -5.652 -0.726 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -12.039 -4.857 -3.219 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -11.511 -3.809 -1.917 1.00 0.00 H new ATOM 0 HG LEU A 22 -9.792 -5.170 -4.022 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -9.125 -2.756 -4.381 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -10.890 -2.943 -4.512 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -10.173 -2.278 -3.025 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -7.804 -4.237 -2.880 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -8.831 -3.682 -1.536 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -8.635 -5.423 -1.846 1.00 0.00 H new ATOM 363 N GLY A 23 -13.159 -7.242 -1.656 1.00 0.00 N ATOM 364 CA GLY A 23 -14.531 -7.660 -1.199 1.00 0.00 C ATOM 365 C GLY A 23 -14.389 -8.484 0.093 1.00 0.00 C ATOM 366 O GLY A 23 -15.222 -8.421 0.981 1.00 0.00 O ATOM 0 H GLY A 23 -12.783 -7.764 -2.447 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -15.154 -6.783 -1.022 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -15.024 -8.250 -1.972 1.00 0.00 H new ATOM 370 N ALA A 24 -13.325 -9.237 0.158 1.00 0.00 N ATOM 371 CA ALA A 24 -13.035 -10.102 1.345 1.00 0.00 C ATOM 372 C ALA A 24 -12.878 -9.296 2.702 1.00 0.00 C ATOM 373 O ALA A 24 -11.956 -8.501 2.841 1.00 0.00 O ATOM 374 CB ALA A 24 -11.749 -10.896 0.977 1.00 0.00 C ATOM 0 H ALA A 24 -12.624 -9.292 -0.581 1.00 0.00 H new ATOM 0 HA ALA A 24 -13.877 -10.764 1.545 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -11.477 -11.552 1.804 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -11.934 -11.494 0.085 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -10.934 -10.199 0.784 1.00 0.00 H new ATOM 380 N PRO A 25 -13.771 -9.508 3.661 1.00 0.00 N ATOM 381 CA PRO A 25 -13.836 -8.707 4.926 1.00 0.00 C ATOM 382 C PRO A 25 -12.442 -8.315 5.454 1.00 0.00 C ATOM 383 O PRO A 25 -12.128 -7.156 5.612 1.00 0.00 O ATOM 384 CB PRO A 25 -14.639 -9.593 5.921 1.00 0.00 C ATOM 385 CG PRO A 25 -15.003 -10.900 5.145 1.00 0.00 C ATOM 386 CD PRO A 25 -14.819 -10.575 3.650 1.00 0.00 C ATOM 0 HA PRO A 25 -14.325 -7.745 4.770 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -14.046 -9.819 6.807 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -15.538 -9.079 6.262 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -14.358 -11.725 5.447 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -16.028 -11.205 5.354 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -14.498 -11.449 3.084 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -15.746 -10.225 3.197 1.00 0.00 H new ATOM 394 N ALA A 26 -11.667 -9.337 5.699 1.00 0.00 N ATOM 395 CA ALA A 26 -10.261 -9.236 6.217 1.00 0.00 C ATOM 396 C ALA A 26 -9.451 -8.013 5.730 1.00 0.00 C ATOM 397 O ALA A 26 -8.584 -7.511 6.424 1.00 0.00 O ATOM 398 CB ALA A 26 -9.556 -10.561 5.832 1.00 0.00 C ATOM 0 H ALA A 26 -11.969 -10.300 5.552 1.00 0.00 H new ATOM 0 HA ALA A 26 -10.312 -9.080 7.295 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -8.525 -10.541 6.186 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -10.081 -11.399 6.290 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -9.565 -10.676 4.748 1.00 0.00 H new ATOM 404 N VAL A 27 -9.799 -7.613 4.544 1.00 0.00 N ATOM 405 CA VAL A 27 -9.157 -6.455 3.851 1.00 0.00 C ATOM 406 C VAL A 27 -10.076 -5.219 3.812 1.00 0.00 C ATOM 407 O VAL A 27 -9.836 -4.182 4.398 1.00 0.00 O ATOM 408 CB VAL A 27 -8.831 -6.845 2.378 1.00 0.00 C ATOM 409 CG1 VAL A 27 -7.842 -5.838 1.785 1.00 0.00 C ATOM 410 CG2 VAL A 27 -8.248 -8.284 2.246 1.00 0.00 C ATOM 0 H VAL A 27 -10.536 -8.060 3.998 1.00 0.00 H new ATOM 0 HA VAL A 27 -8.255 -6.209 4.411 1.00 0.00 H new ATOM 0 HB VAL A 27 -9.772 -6.827 1.829 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -7.616 -6.113 0.755 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -8.282 -4.841 1.806 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -6.923 -5.842 2.371 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -8.041 -8.498 1.197 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -7.324 -8.356 2.820 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -8.970 -9.006 2.628 1.00 0.00 H new ATOM 420 N SER A 28 -11.148 -5.431 3.102 1.00 0.00 N ATOM 421 CA SER A 28 -12.216 -4.413 2.857 1.00 0.00 C ATOM 422 C SER A 28 -11.685 -2.955 2.743 1.00 0.00 C ATOM 423 O SER A 28 -11.865 -2.092 3.578 1.00 0.00 O ATOM 424 CB SER A 28 -13.279 -4.490 3.993 1.00 0.00 C ATOM 425 OG SER A 28 -12.600 -4.169 5.202 1.00 0.00 O ATOM 0 H SER A 28 -11.339 -6.327 2.653 1.00 0.00 H new ATOM 0 HA SER A 28 -12.656 -4.657 1.890 1.00 0.00 H new ATOM 0 HB2 SER A 28 -14.095 -3.791 3.809 1.00 0.00 H new ATOM 0 HB3 SER A 28 -13.718 -5.486 4.047 1.00 0.00 H new ATOM 0 HG SER A 28 -12.123 -3.320 5.094 1.00 0.00 H new ATOM 431 N ALA A 29 -11.037 -2.744 1.627 1.00 0.00 N ATOM 432 CA ALA A 29 -10.401 -1.424 1.258 1.00 0.00 C ATOM 433 C ALA A 29 -11.302 -0.217 0.878 1.00 0.00 C ATOM 434 O ALA A 29 -12.394 -0.377 0.373 1.00 0.00 O ATOM 435 CB ALA A 29 -9.460 -1.733 0.102 1.00 0.00 C ATOM 0 H ALA A 29 -10.913 -3.465 0.916 1.00 0.00 H new ATOM 0 HA ALA A 29 -9.938 -1.062 2.176 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -8.963 -0.817 -0.217 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -8.713 -2.458 0.425 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -10.030 -2.146 -0.730 1.00 0.00 H new ATOM 441 N TYR A 30 -10.800 0.974 1.119 1.00 0.00 N ATOM 442 CA TYR A 30 -11.565 2.230 0.798 1.00 0.00 C ATOM 443 C TYR A 30 -12.427 2.206 -0.479 1.00 0.00 C ATOM 444 O TYR A 30 -13.641 2.264 -0.409 1.00 0.00 O ATOM 445 CB TYR A 30 -10.549 3.421 0.726 1.00 0.00 C ATOM 446 CG TYR A 30 -10.940 4.472 1.784 1.00 0.00 C ATOM 447 CD1 TYR A 30 -12.168 5.107 1.682 1.00 0.00 C ATOM 448 CD2 TYR A 30 -10.111 4.806 2.834 1.00 0.00 C ATOM 449 CE1 TYR A 30 -12.549 6.055 2.614 1.00 0.00 C ATOM 450 CE2 TYR A 30 -10.499 5.757 3.765 1.00 0.00 C ATOM 451 CZ TYR A 30 -11.717 6.382 3.655 1.00 0.00 C ATOM 452 OH TYR A 30 -12.117 7.324 4.576 1.00 0.00 O ATOM 0 H TYR A 30 -9.880 1.133 1.530 1.00 0.00 H new ATOM 0 HA TYR A 30 -12.292 2.340 1.603 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -9.535 3.064 0.906 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -10.558 3.866 -0.269 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -12.833 4.859 0.868 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -9.150 4.322 2.932 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -13.509 6.542 2.522 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -9.839 6.008 4.582 1.00 0.00 H new ATOM 0 HH TYR A 30 -11.415 7.441 5.250 1.00 0.00 H new ATOM 462 N CYS A 31 -11.806 2.114 -1.625 1.00 0.00 N ATOM 463 CA CYS A 31 -12.615 2.092 -2.879 1.00 0.00 C ATOM 464 C CYS A 31 -13.257 0.710 -3.125 1.00 0.00 C ATOM 465 O CYS A 31 -13.730 0.482 -4.219 1.00 0.00 O ATOM 466 CB CYS A 31 -11.730 2.421 -4.103 1.00 0.00 C ATOM 467 SG CYS A 31 -10.689 3.890 -4.221 1.00 0.00 S ATOM 0 H CYS A 31 -10.795 2.054 -1.747 1.00 0.00 H new ATOM 0 HA CYS A 31 -13.398 2.840 -2.755 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -11.068 1.566 -4.241 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -12.398 2.449 -4.964 1.00 0.00 H new ATOM 472 N ALA A 32 -13.314 -0.197 -2.178 1.00 0.00 N ATOM 473 CA ALA A 32 -13.950 -1.526 -2.487 1.00 0.00 C ATOM 474 C ALA A 32 -15.453 -1.354 -2.779 1.00 0.00 C ATOM 475 O ALA A 32 -16.069 -2.211 -3.372 1.00 0.00 O ATOM 476 CB ALA A 32 -13.743 -2.468 -1.289 1.00 0.00 C ATOM 0 H ALA A 32 -12.959 -0.084 -1.228 1.00 0.00 H new ATOM 0 HA ALA A 32 -13.483 -1.953 -3.375 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -14.200 -3.434 -1.503 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -12.676 -2.603 -1.112 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -14.206 -2.036 -0.402 1.00 0.00 H new ATOM 482 N THR A 33 -15.969 -0.240 -2.346 1.00 0.00 N ATOM 483 CA THR A 33 -17.424 0.096 -2.549 1.00 0.00 C ATOM 484 C THR A 33 -17.682 0.663 -3.948 1.00 0.00 C ATOM 485 O THR A 33 -18.792 0.629 -4.445 1.00 0.00 O ATOM 486 CB THR A 33 -17.856 1.146 -1.518 1.00 0.00 C ATOM 487 OG1 THR A 33 -17.646 0.485 -0.285 1.00 0.00 O ATOM 488 CG2 THR A 33 -19.359 1.355 -1.468 1.00 0.00 C ATOM 0 H THR A 33 -15.439 0.475 -1.847 1.00 0.00 H new ATOM 0 HA THR A 33 -17.995 -0.825 -2.431 1.00 0.00 H new ATOM 0 HB THR A 33 -17.340 2.082 -1.732 1.00 0.00 H new ATOM 0 HG1 THR A 33 -17.894 1.081 0.452 1.00 0.00 H new ATOM 0 HG21 THR A 33 -19.597 2.110 -0.719 1.00 0.00 H new ATOM 0 HG22 THR A 33 -19.713 1.688 -2.444 1.00 0.00 H new ATOM 0 HG23 THR A 33 -19.848 0.417 -1.206 1.00 0.00 H new ATOM 496 N TRP A 34 -16.635 1.169 -4.543 1.00 0.00 N ATOM 497 CA TRP A 34 -16.728 1.774 -5.912 1.00 0.00 C ATOM 498 C TRP A 34 -15.827 1.206 -6.996 1.00 0.00 C ATOM 499 O TRP A 34 -16.321 0.923 -8.071 1.00 0.00 O ATOM 500 CB TRP A 34 -16.465 3.262 -5.740 1.00 0.00 C ATOM 501 CG TRP A 34 -17.596 3.834 -4.892 1.00 0.00 C ATOM 502 CD1 TRP A 34 -18.929 3.708 -5.146 1.00 0.00 C ATOM 503 CD2 TRP A 34 -17.423 4.536 -3.767 1.00 0.00 C ATOM 504 NE1 TRP A 34 -19.471 4.355 -4.133 1.00 0.00 N ATOM 505 CE2 TRP A 34 -18.642 4.890 -3.247 1.00 0.00 C ATOM 506 CE3 TRP A 34 -16.248 4.900 -3.146 1.00 0.00 C ATOM 507 CZ2 TRP A 34 -18.684 5.621 -2.082 1.00 0.00 C ATOM 508 CZ3 TRP A 34 -16.287 5.632 -1.979 1.00 0.00 C ATOM 509 CH2 TRP A 34 -17.513 5.993 -1.446 1.00 0.00 C ATOM 0 H TRP A 34 -15.701 1.191 -4.134 1.00 0.00 H new ATOM 0 HA TRP A 34 -17.722 1.532 -6.288 1.00 0.00 H new ATOM 0 HB2 TRP A 34 -15.502 3.427 -5.256 1.00 0.00 H new ATOM 0 HB3 TRP A 34 -16.424 3.758 -6.710 1.00 0.00 H new ATOM 0 HD1 TRP A 34 -19.417 3.206 -5.968 1.00 0.00 H new ATOM 0 HE1 TRP A 34 -20.483 4.440 -4.035 1.00 0.00 H new ATOM 0 HE3 TRP A 34 -15.299 4.612 -3.573 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 -19.637 5.906 -1.661 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 -15.371 5.921 -1.485 1.00 0.00 H new ATOM 0 HH2 TRP A 34 -17.555 6.566 -0.532 1.00 0.00 H new ATOM 520 N ASP A 35 -14.560 1.024 -6.746 1.00 0.00 N ATOM 521 CA ASP A 35 -13.671 0.474 -7.812 1.00 0.00 C ATOM 522 C ASP A 35 -13.776 -1.017 -7.950 1.00 0.00 C ATOM 523 O ASP A 35 -13.527 -1.561 -9.008 1.00 0.00 O ATOM 524 CB ASP A 35 -12.246 0.943 -7.476 1.00 0.00 C ATOM 525 CG ASP A 35 -12.020 2.283 -8.194 1.00 0.00 C ATOM 526 OD1 ASP A 35 -12.990 3.014 -8.340 1.00 0.00 O ATOM 527 OD2 ASP A 35 -10.874 2.460 -8.562 1.00 0.00 O ATOM 0 H ASP A 35 -14.103 1.230 -5.858 1.00 0.00 H new ATOM 0 HA ASP A 35 -13.975 0.846 -8.790 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -12.125 1.060 -6.399 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -11.513 0.205 -7.801 1.00 0.00 H new ATOM 532 N ALA A 36 -14.144 -1.661 -6.877 1.00 0.00 N ATOM 533 CA ALA A 36 -14.276 -3.151 -6.967 1.00 0.00 C ATOM 534 C ALA A 36 -15.269 -3.498 -8.128 1.00 0.00 C ATOM 535 O ALA A 36 -15.275 -4.599 -8.644 1.00 0.00 O ATOM 536 CB ALA A 36 -14.799 -3.668 -5.625 1.00 0.00 C ATOM 0 H ALA A 36 -14.354 -1.243 -5.970 1.00 0.00 H new ATOM 0 HA ALA A 36 -13.316 -3.622 -7.179 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -14.903 -4.752 -5.668 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -14.098 -3.402 -4.834 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -15.770 -3.219 -5.415 1.00 0.00 H new ATOM 542 N SER A 37 -16.064 -2.515 -8.493 1.00 0.00 N ATOM 543 CA SER A 37 -17.099 -2.627 -9.592 1.00 0.00 C ATOM 544 C SER A 37 -16.502 -2.455 -11.000 1.00 0.00 C ATOM 545 O SER A 37 -16.978 -3.032 -11.957 1.00 0.00 O ATOM 546 CB SER A 37 -18.194 -1.532 -9.427 1.00 0.00 C ATOM 547 OG SER A 37 -17.656 -0.354 -10.043 1.00 0.00 O ATOM 0 H SER A 37 -16.039 -1.594 -8.055 1.00 0.00 H new ATOM 0 HA SER A 37 -17.515 -3.630 -9.498 1.00 0.00 H new ATOM 0 HB2 SER A 37 -19.126 -1.834 -9.905 1.00 0.00 H new ATOM 0 HB3 SER A 37 -18.418 -1.357 -8.375 1.00 0.00 H new ATOM 0 HG SER A 37 -17.196 0.187 -9.368 1.00 0.00 H new ATOM 553 N LYS A 38 -15.479 -1.641 -11.073 1.00 0.00 N ATOM 554 CA LYS A 38 -14.783 -1.358 -12.366 1.00 0.00 C ATOM 555 C LYS A 38 -14.510 -2.676 -13.131 1.00 0.00 C ATOM 556 O LYS A 38 -14.246 -3.687 -12.507 1.00 0.00 O ATOM 557 CB LYS A 38 -13.453 -0.619 -12.039 1.00 0.00 C ATOM 558 CG LYS A 38 -13.724 0.808 -11.452 1.00 0.00 C ATOM 559 CD LYS A 38 -13.860 1.874 -12.574 1.00 0.00 C ATOM 560 CE LYS A 38 -12.484 2.228 -13.145 1.00 0.00 C ATOM 561 NZ LYS A 38 -12.674 3.256 -14.227 1.00 0.00 N ATOM 0 H LYS A 38 -15.088 -1.149 -10.270 1.00 0.00 H new ATOM 0 HA LYS A 38 -15.407 -0.734 -13.006 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -12.875 -1.205 -11.324 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -12.850 -0.534 -12.943 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -14.636 0.789 -10.855 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -12.911 1.086 -10.782 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -14.504 1.495 -13.368 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -14.337 2.770 -12.177 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -11.836 2.618 -12.360 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -11.999 1.338 -13.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -11.750 3.511 -14.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -13.281 2.864 -14.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -13.123 4.104 -13.825 1.00 0.00 H new ATOM 575 N PRO A 39 -14.560 -2.679 -14.443 1.00 0.00 N ATOM 576 CA PRO A 39 -14.089 -3.864 -15.215 1.00 0.00 C ATOM 577 C PRO A 39 -12.734 -4.485 -14.746 1.00 0.00 C ATOM 578 O PRO A 39 -12.078 -4.054 -13.810 1.00 0.00 O ATOM 579 CB PRO A 39 -14.094 -3.342 -16.691 1.00 0.00 C ATOM 580 CG PRO A 39 -14.169 -1.793 -16.566 1.00 0.00 C ATOM 581 CD PRO A 39 -15.048 -1.581 -15.328 1.00 0.00 C ATOM 0 HA PRO A 39 -14.737 -4.728 -15.068 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -13.195 -3.653 -17.223 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -14.945 -3.735 -17.247 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -13.181 -1.351 -16.438 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -14.608 -1.339 -17.454 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -14.903 -0.597 -14.883 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -16.110 -1.675 -15.555 1.00 0.00 H new ATOM 589 N LEU A 40 -12.333 -5.527 -15.417 1.00 0.00 N ATOM 590 CA LEU A 40 -11.051 -6.213 -15.068 1.00 0.00 C ATOM 591 C LEU A 40 -9.903 -5.463 -15.751 1.00 0.00 C ATOM 592 O LEU A 40 -8.847 -5.307 -15.167 1.00 0.00 O ATOM 593 CB LEU A 40 -11.196 -7.669 -15.546 1.00 0.00 C ATOM 594 CG LEU A 40 -11.620 -8.600 -14.380 1.00 0.00 C ATOM 595 CD1 LEU A 40 -12.217 -9.892 -14.964 1.00 0.00 C ATOM 596 CD2 LEU A 40 -10.357 -9.017 -13.602 1.00 0.00 C ATOM 0 H LEU A 40 -12.841 -5.939 -16.200 1.00 0.00 H new ATOM 0 HA LEU A 40 -10.833 -6.216 -14.000 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -11.936 -7.721 -16.344 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -10.251 -8.013 -15.965 1.00 0.00 H new ATOM 0 HG LEU A 40 -12.337 -8.081 -13.743 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -12.518 -10.553 -14.152 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -13.086 -9.648 -15.574 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -11.470 -10.392 -15.581 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -10.637 -9.673 -12.778 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -9.676 -9.545 -14.270 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -9.863 -8.129 -13.207 1.00 0.00 H new ATOM 608 N SER A 41 -10.156 -5.027 -16.957 1.00 0.00 N ATOM 609 CA SER A 41 -9.131 -4.275 -17.742 1.00 0.00 C ATOM 610 C SER A 41 -8.394 -3.236 -16.873 1.00 0.00 C ATOM 611 O SER A 41 -7.266 -3.450 -16.485 1.00 0.00 O ATOM 612 CB SER A 41 -9.871 -3.605 -18.944 1.00 0.00 C ATOM 613 OG SER A 41 -10.882 -2.775 -18.366 1.00 0.00 O ATOM 0 H SER A 41 -11.044 -5.162 -17.440 1.00 0.00 H new ATOM 0 HA SER A 41 -8.359 -4.954 -18.104 1.00 0.00 H new ATOM 0 HB2 SER A 41 -9.181 -3.017 -19.549 1.00 0.00 H new ATOM 0 HB3 SER A 41 -10.310 -4.356 -19.601 1.00 0.00 H new ATOM 0 HG SER A 41 -11.382 -2.324 -19.078 1.00 0.00 H new ATOM 619 N TRP A 42 -9.054 -2.152 -16.572 1.00 0.00 N ATOM 620 CA TRP A 42 -8.475 -1.041 -15.741 1.00 0.00 C ATOM 621 C TRP A 42 -7.863 -1.534 -14.411 1.00 0.00 C ATOM 622 O TRP A 42 -6.761 -1.153 -14.051 1.00 0.00 O ATOM 623 CB TRP A 42 -9.607 -0.026 -15.488 1.00 0.00 C ATOM 624 CG TRP A 42 -9.015 1.327 -15.028 1.00 0.00 C ATOM 625 CD1 TRP A 42 -8.446 2.204 -15.896 1.00 0.00 C ATOM 626 CD2 TRP A 42 -8.953 1.849 -13.776 1.00 0.00 C ATOM 627 NE1 TRP A 42 -8.073 3.203 -15.118 1.00 0.00 N ATOM 628 CE2 TRP A 42 -8.333 3.086 -13.827 1.00 0.00 C ATOM 629 CE3 TRP A 42 -9.385 1.356 -12.558 1.00 0.00 C ATOM 630 CZ2 TRP A 42 -8.150 3.823 -12.675 1.00 0.00 C ATOM 631 CZ3 TRP A 42 -9.204 2.090 -11.401 1.00 0.00 C ATOM 632 CH2 TRP A 42 -8.585 3.325 -11.460 1.00 0.00 C ATOM 0 H TRP A 42 -10.011 -1.978 -16.878 1.00 0.00 H new ATOM 0 HA TRP A 42 -7.647 -0.583 -16.282 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -10.190 0.114 -16.398 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -10.288 -0.411 -14.729 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -8.327 2.107 -16.965 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -7.606 4.027 -15.495 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -9.867 0.391 -12.511 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -7.667 4.788 -12.722 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -9.545 1.700 -10.453 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -8.441 3.901 -10.558 1.00 0.00 H new ATOM 643 N ARG A 43 -8.598 -2.375 -13.725 1.00 0.00 N ATOM 644 CA ARG A 43 -8.077 -2.896 -12.430 1.00 0.00 C ATOM 645 C ARG A 43 -6.755 -3.637 -12.606 1.00 0.00 C ATOM 646 O ARG A 43 -5.881 -3.399 -11.800 1.00 0.00 O ATOM 647 CB ARG A 43 -9.144 -3.817 -11.783 1.00 0.00 C ATOM 648 CG ARG A 43 -10.187 -2.884 -11.119 1.00 0.00 C ATOM 649 CD ARG A 43 -11.201 -3.639 -10.248 1.00 0.00 C ATOM 650 NE ARG A 43 -12.122 -4.407 -11.150 1.00 0.00 N ATOM 651 CZ ARG A 43 -12.469 -5.629 -10.983 1.00 0.00 C ATOM 652 NH1 ARG A 43 -12.708 -6.109 -9.831 1.00 0.00 N ATOM 653 NH2 ARG A 43 -12.563 -6.318 -12.035 1.00 0.00 N ATOM 0 H ARG A 43 -9.519 -2.716 -14.001 1.00 0.00 H new ATOM 0 HA ARG A 43 -7.879 -2.050 -11.772 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -9.614 -4.452 -12.533 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -8.690 -4.478 -11.045 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -9.668 -2.147 -10.506 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -10.721 -2.335 -11.895 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -10.686 -4.316 -9.567 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -11.768 -2.940 -9.634 1.00 0.00 H new ATOM 0 HE ARG A 43 -12.502 -3.917 -11.960 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -12.626 -5.517 -9.005 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -12.982 -7.087 -9.733 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -12.367 -5.894 -12.942 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -12.835 -7.300 -11.979 1.00 0.00 H new ATOM 667 N SER A 44 -6.636 -4.484 -13.599 1.00 0.00 N ATOM 668 CA SER A 44 -5.341 -5.248 -13.838 1.00 0.00 C ATOM 669 C SER A 44 -4.334 -4.410 -14.658 1.00 0.00 C ATOM 670 O SER A 44 -3.150 -4.686 -14.659 1.00 0.00 O ATOM 671 CB SER A 44 -5.643 -6.541 -14.608 1.00 0.00 C ATOM 672 OG SER A 44 -6.265 -6.084 -15.808 1.00 0.00 O ATOM 0 H SER A 44 -7.379 -4.690 -14.267 1.00 0.00 H new ATOM 0 HA SER A 44 -4.901 -5.472 -12.866 1.00 0.00 H new ATOM 0 HB2 SER A 44 -4.733 -7.104 -14.818 1.00 0.00 H new ATOM 0 HB3 SER A 44 -6.301 -7.200 -14.042 1.00 0.00 H new ATOM 0 HG SER A 44 -7.221 -5.939 -15.646 1.00 0.00 H new ATOM 678 N LYS A 45 -4.835 -3.423 -15.353 1.00 0.00 N ATOM 679 CA LYS A 45 -3.966 -2.521 -16.175 1.00 0.00 C ATOM 680 C LYS A 45 -3.012 -1.744 -15.245 1.00 0.00 C ATOM 681 O LYS A 45 -1.809 -1.862 -15.368 1.00 0.00 O ATOM 682 CB LYS A 45 -4.876 -1.543 -16.964 1.00 0.00 C ATOM 683 CG LYS A 45 -4.000 -0.475 -17.682 1.00 0.00 C ATOM 684 CD LYS A 45 -4.930 0.470 -18.511 1.00 0.00 C ATOM 685 CE LYS A 45 -4.196 1.738 -19.009 1.00 0.00 C ATOM 686 NZ LYS A 45 -3.060 1.301 -19.896 1.00 0.00 N ATOM 0 H LYS A 45 -5.829 -3.198 -15.388 1.00 0.00 H new ATOM 0 HA LYS A 45 -3.368 -3.102 -16.877 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -5.469 -2.092 -17.695 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -5.577 -1.056 -16.286 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -3.433 0.101 -16.951 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -3.276 -0.960 -18.337 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -5.327 -0.076 -19.367 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -5.782 0.765 -17.898 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -4.881 2.384 -19.558 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -3.820 2.316 -18.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -2.635 2.134 -20.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -2.341 0.814 -19.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -3.419 0.653 -20.626 1.00 0.00 H new ATOM 700 N TYR A 46 -3.566 -0.986 -14.334 1.00 0.00 N ATOM 701 CA TYR A 46 -2.683 -0.202 -13.410 1.00 0.00 C ATOM 702 C TYR A 46 -2.230 -0.954 -12.144 1.00 0.00 C ATOM 703 O TYR A 46 -2.527 -2.111 -11.924 1.00 0.00 O ATOM 704 CB TYR A 46 -3.453 1.123 -13.038 1.00 0.00 C ATOM 705 CG TYR A 46 -2.998 2.253 -13.993 1.00 0.00 C ATOM 706 CD1 TYR A 46 -1.657 2.588 -14.058 1.00 0.00 C ATOM 707 CD2 TYR A 46 -3.886 2.942 -14.805 1.00 0.00 C ATOM 708 CE1 TYR A 46 -1.215 3.578 -14.914 1.00 0.00 C ATOM 709 CE2 TYR A 46 -3.435 3.938 -15.661 1.00 0.00 C ATOM 710 CZ TYR A 46 -2.093 4.257 -15.722 1.00 0.00 C ATOM 711 OH TYR A 46 -1.586 5.207 -16.583 1.00 0.00 O ATOM 0 H TYR A 46 -4.569 -0.875 -14.189 1.00 0.00 H new ATOM 0 HA TYR A 46 -1.750 0.001 -13.936 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -4.529 0.970 -13.121 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -3.250 1.399 -12.003 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -0.947 2.069 -13.431 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -4.938 2.702 -14.771 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -0.163 3.821 -14.948 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -4.140 4.468 -16.284 1.00 0.00 H new ATOM 0 HH TYR A 46 -1.853 6.100 -16.279 1.00 0.00 H new ATOM 721 N GLY A 47 -1.494 -0.240 -11.326 1.00 0.00 N ATOM 722 CA GLY A 47 -0.974 -0.846 -10.047 1.00 0.00 C ATOM 723 C GLY A 47 -1.990 -0.923 -8.898 1.00 0.00 C ATOM 724 O GLY A 47 -3.115 -0.466 -8.963 1.00 0.00 O ATOM 0 H GLY A 47 -1.229 0.732 -11.483 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -0.615 -1.853 -10.261 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -0.115 -0.265 -9.712 1.00 0.00 H new ATOM 728 N TRP A 48 -1.529 -1.495 -7.826 1.00 0.00 N ATOM 729 CA TRP A 48 -2.345 -1.690 -6.610 1.00 0.00 C ATOM 730 C TRP A 48 -1.690 -1.117 -5.405 1.00 0.00 C ATOM 731 O TRP A 48 -0.973 -1.792 -4.721 1.00 0.00 O ATOM 732 CB TRP A 48 -2.609 -3.258 -6.489 1.00 0.00 C ATOM 733 CG TRP A 48 -4.100 -3.504 -6.309 1.00 0.00 C ATOM 734 CD1 TRP A 48 -4.919 -2.724 -7.020 1.00 0.00 C ATOM 735 CD2 TRP A 48 -4.811 -4.384 -5.553 1.00 0.00 C ATOM 736 NE1 TRP A 48 -6.116 -3.127 -6.694 1.00 0.00 N ATOM 737 CE2 TRP A 48 -6.116 -4.091 -5.837 1.00 0.00 C ATOM 738 CE3 TRP A 48 -4.624 -5.450 -4.684 1.00 0.00 C ATOM 739 CZ2 TRP A 48 -7.178 -4.736 -5.342 1.00 0.00 C ATOM 740 CZ3 TRP A 48 -5.705 -6.151 -4.155 1.00 0.00 C ATOM 741 CH2 TRP A 48 -7.000 -5.789 -4.490 1.00 0.00 C ATOM 0 H TRP A 48 -0.576 -1.849 -7.745 1.00 0.00 H new ATOM 0 HA TRP A 48 -3.293 -1.157 -6.683 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -2.250 -3.769 -7.382 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -2.056 -3.667 -5.643 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -4.651 -1.937 -7.709 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -6.968 -2.720 -7.079 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -3.620 -5.742 -4.413 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -8.175 -4.425 -5.616 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -5.534 -6.978 -3.482 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -7.847 -6.325 -4.088 1.00 0.00 H new ATOM 752 N THR A 49 -1.924 0.133 -5.205 1.00 0.00 N ATOM 753 CA THR A 49 -1.321 0.819 -3.996 1.00 0.00 C ATOM 754 C THR A 49 -2.264 1.512 -3.005 1.00 0.00 C ATOM 755 O THR A 49 -3.372 1.918 -3.320 1.00 0.00 O ATOM 756 CB THR A 49 -0.312 1.845 -4.485 1.00 0.00 C ATOM 757 OG1 THR A 49 -0.983 2.488 -5.554 1.00 0.00 O ATOM 758 CG2 THR A 49 0.890 1.193 -5.151 1.00 0.00 C ATOM 0 H THR A 49 -2.497 0.726 -5.805 1.00 0.00 H new ATOM 0 HA THR A 49 -0.896 -0.002 -3.419 1.00 0.00 H new ATOM 0 HB THR A 49 0.020 2.466 -3.653 1.00 0.00 H new ATOM 0 HG1 THR A 49 -1.942 2.535 -5.357 1.00 0.00 H new ATOM 0 HG21 THR A 49 1.584 1.964 -5.484 1.00 0.00 H new ATOM 0 HG22 THR A 49 1.391 0.538 -4.438 1.00 0.00 H new ATOM 0 HG23 THR A 49 0.558 0.608 -6.009 1.00 0.00 H new ATOM 766 N ALA A 50 -1.738 1.613 -1.810 1.00 0.00 N ATOM 767 CA ALA A 50 -2.439 2.246 -0.637 1.00 0.00 C ATOM 768 C ALA A 50 -1.642 3.417 -0.009 1.00 0.00 C ATOM 769 O ALA A 50 -0.425 3.396 0.017 1.00 0.00 O ATOM 770 CB ALA A 50 -2.663 1.156 0.416 1.00 0.00 C ATOM 0 H ALA A 50 -0.805 1.266 -1.585 1.00 0.00 H new ATOM 0 HA ALA A 50 -3.379 2.670 -0.991 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -3.170 1.584 1.281 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -3.277 0.361 -0.008 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -1.702 0.746 0.726 1.00 0.00 H new ATOM 776 N PHE A 51 -2.331 4.405 0.486 1.00 0.00 N ATOM 777 CA PHE A 51 -1.646 5.575 1.110 1.00 0.00 C ATOM 778 C PHE A 51 -2.347 6.097 2.380 1.00 0.00 C ATOM 779 O PHE A 51 -3.469 6.536 2.272 1.00 0.00 O ATOM 780 CB PHE A 51 -1.584 6.676 0.035 1.00 0.00 C ATOM 781 CG PHE A 51 -0.270 7.436 0.164 1.00 0.00 C ATOM 782 CD1 PHE A 51 0.904 6.845 -0.261 1.00 0.00 C ATOM 783 CD2 PHE A 51 -0.236 8.699 0.703 1.00 0.00 C ATOM 784 CE1 PHE A 51 2.104 7.506 -0.148 1.00 0.00 C ATOM 785 CE2 PHE A 51 0.962 9.364 0.817 1.00 0.00 C ATOM 786 CZ PHE A 51 2.129 8.770 0.394 1.00 0.00 C ATOM 0 H PHE A 51 -3.350 4.455 0.486 1.00 0.00 H new ATOM 0 HA PHE A 51 -0.654 5.269 1.442 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -1.666 6.235 -0.958 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -2.425 7.360 0.150 1.00 0.00 H new ATOM 0 HD1 PHE A 51 0.879 5.853 -0.687 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -1.149 9.169 1.037 1.00 0.00 H new ATOM 0 HE1 PHE A 51 3.018 7.037 -0.481 1.00 0.00 H new ATOM 0 HE2 PHE A 51 0.987 10.357 1.241 1.00 0.00 H new ATOM 0 HZ PHE A 51 3.067 9.297 0.488 1.00 0.00 H new ATOM 796 N CYS A 52 -1.763 6.071 3.547 1.00 0.00 N ATOM 797 CA CYS A 52 -2.503 6.613 4.747 1.00 0.00 C ATOM 798 C CYS A 52 -2.155 8.120 4.747 1.00 0.00 C ATOM 799 O CYS A 52 -2.988 9.007 4.709 1.00 0.00 O ATOM 800 CB CYS A 52 -1.966 5.904 5.988 1.00 0.00 C ATOM 801 SG CYS A 52 -0.179 5.638 5.971 1.00 0.00 S ATOM 0 H CYS A 52 -0.827 5.709 3.731 1.00 0.00 H new ATOM 0 HA CYS A 52 -3.582 6.460 4.728 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -2.227 6.490 6.869 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -2.465 4.940 6.087 1.00 0.00 H new ATOM 806 N GLY A 53 -0.866 8.332 4.784 1.00 0.00 N ATOM 807 CA GLY A 53 -0.293 9.725 4.782 1.00 0.00 C ATOM 808 C GLY A 53 1.053 9.910 5.502 1.00 0.00 C ATOM 809 O GLY A 53 1.127 10.730 6.390 1.00 0.00 O ATOM 0 H GLY A 53 -0.168 7.589 4.816 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -0.174 10.044 3.747 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -1.021 10.395 5.240 1.00 0.00 H new ATOM 813 N PRO A 54 2.081 9.176 5.118 1.00 0.00 N ATOM 814 CA PRO A 54 3.477 9.461 5.585 1.00 0.00 C ATOM 815 C PRO A 54 3.844 10.938 5.317 1.00 0.00 C ATOM 816 O PRO A 54 4.163 11.712 6.198 1.00 0.00 O ATOM 817 CB PRO A 54 4.324 8.418 4.808 1.00 0.00 C ATOM 818 CG PRO A 54 3.431 8.054 3.581 1.00 0.00 C ATOM 819 CD PRO A 54 2.026 8.013 4.184 1.00 0.00 C ATOM 0 HA PRO A 54 3.638 9.359 6.658 1.00 0.00 H new ATOM 0 HB2 PRO A 54 5.282 8.833 4.496 1.00 0.00 H new ATOM 0 HB3 PRO A 54 4.540 7.542 5.420 1.00 0.00 H new ATOM 0 HG2 PRO A 54 3.509 8.798 2.789 1.00 0.00 H new ATOM 0 HG3 PRO A 54 3.713 7.095 3.146 1.00 0.00 H new ATOM 0 HD2 PRO A 54 1.249 8.128 3.428 1.00 0.00 H new ATOM 0 HD3 PRO A 54 1.828 7.076 4.704 1.00 0.00 H new ATOM 827 N ALA A 55 3.781 11.230 4.044 1.00 0.00 N ATOM 828 CA ALA A 55 4.074 12.590 3.490 1.00 0.00 C ATOM 829 C ALA A 55 3.042 12.937 2.365 1.00 0.00 C ATOM 830 O ALA A 55 3.387 13.332 1.265 1.00 0.00 O ATOM 831 CB ALA A 55 5.532 12.535 2.981 1.00 0.00 C ATOM 0 H ALA A 55 3.526 10.547 3.331 1.00 0.00 H new ATOM 0 HA ALA A 55 3.977 13.381 4.233 1.00 0.00 H new ATOM 0 HB1 ALA A 55 5.808 13.503 2.562 1.00 0.00 H new ATOM 0 HB2 ALA A 55 6.198 12.295 3.810 1.00 0.00 H new ATOM 0 HB3 ALA A 55 5.620 11.768 2.211 1.00 0.00 H new ATOM 837 N GLY A 56 1.777 12.781 2.664 1.00 0.00 N ATOM 838 CA GLY A 56 0.746 13.101 1.605 1.00 0.00 C ATOM 839 C GLY A 56 -0.677 12.640 1.924 1.00 0.00 C ATOM 840 O GLY A 56 -1.128 11.654 1.380 1.00 0.00 O ATOM 0 H GLY A 56 1.413 12.458 3.560 1.00 0.00 H new ATOM 0 HA2 GLY A 56 0.735 14.179 1.445 1.00 0.00 H new ATOM 0 HA3 GLY A 56 1.058 12.643 0.666 1.00 0.00 H new ATOM 844 N PRO A 57 -1.371 13.357 2.770 1.00 0.00 N ATOM 845 CA PRO A 57 -2.636 12.832 3.321 1.00 0.00 C ATOM 846 C PRO A 57 -3.631 12.850 2.155 1.00 0.00 C ATOM 847 O PRO A 57 -4.200 13.865 1.802 1.00 0.00 O ATOM 848 CB PRO A 57 -2.981 13.800 4.484 1.00 0.00 C ATOM 849 CG PRO A 57 -1.829 14.875 4.518 1.00 0.00 C ATOM 850 CD PRO A 57 -0.990 14.696 3.238 1.00 0.00 C ATOM 0 HA PRO A 57 -2.621 11.816 3.715 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -3.950 14.273 4.323 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -3.042 13.264 5.431 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -2.245 15.881 4.566 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -1.208 14.744 5.405 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -1.219 15.462 2.497 1.00 0.00 H new ATOM 0 HD3 PRO A 57 0.078 14.761 3.445 1.00 0.00 H new ATOM 858 N ARG A 58 -3.795 11.687 1.587 1.00 0.00 N ATOM 859 CA ARG A 58 -4.721 11.533 0.449 1.00 0.00 C ATOM 860 C ARG A 58 -5.514 10.228 0.545 1.00 0.00 C ATOM 861 O ARG A 58 -5.131 9.201 0.015 1.00 0.00 O ATOM 862 CB ARG A 58 -3.860 11.607 -0.801 1.00 0.00 C ATOM 863 CG ARG A 58 -4.779 11.944 -1.994 1.00 0.00 C ATOM 864 CD ARG A 58 -5.260 13.393 -1.788 1.00 0.00 C ATOM 865 NE ARG A 58 -4.763 14.154 -2.968 1.00 0.00 N ATOM 866 CZ ARG A 58 -3.677 14.819 -2.898 1.00 0.00 C ATOM 867 NH1 ARG A 58 -2.577 14.224 -3.143 1.00 0.00 N ATOM 868 NH2 ARG A 58 -3.753 16.043 -2.588 1.00 0.00 N ATOM 0 H ARG A 58 -3.318 10.832 1.872 1.00 0.00 H new ATOM 0 HA ARG A 58 -5.478 12.317 0.436 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -3.088 12.368 -0.688 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -3.350 10.659 -0.969 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -4.241 11.845 -2.937 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -5.625 11.258 -2.037 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -6.347 13.439 -1.722 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -4.866 13.808 -0.860 1.00 0.00 H new ATOM 0 HE ARG A 58 -5.295 14.143 -3.838 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -2.576 13.234 -3.390 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -1.697 14.738 -3.093 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -4.662 16.467 -2.404 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -2.905 16.606 -2.522 1.00 0.00 H new ATOM 882 N GLY A 59 -6.598 10.359 1.260 1.00 0.00 N ATOM 883 CA GLY A 59 -7.550 9.222 1.498 1.00 0.00 C ATOM 884 C GLY A 59 -8.943 9.659 1.044 1.00 0.00 C ATOM 885 O GLY A 59 -9.362 9.308 -0.035 1.00 0.00 O ATOM 0 H GLY A 59 -6.876 11.233 1.705 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -7.231 8.338 0.946 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -7.562 8.952 2.554 1.00 0.00 H new ATOM 889 N GLN A 60 -9.622 10.419 1.869 1.00 0.00 N ATOM 890 CA GLN A 60 -11.018 10.938 1.563 1.00 0.00 C ATOM 891 C GLN A 60 -11.392 10.894 0.040 1.00 0.00 C ATOM 892 O GLN A 60 -11.860 9.895 -0.468 1.00 0.00 O ATOM 893 CB GLN A 60 -11.100 12.405 2.106 1.00 0.00 C ATOM 894 CG GLN A 60 -10.788 12.515 3.641 1.00 0.00 C ATOM 895 CD GLN A 60 -10.620 13.997 4.002 1.00 0.00 C ATOM 896 OE1 GLN A 60 -9.963 14.725 3.293 1.00 0.00 O ATOM 897 NE2 GLN A 60 -11.159 14.513 5.060 1.00 0.00 N ATOM 0 H GLN A 60 -9.263 10.718 2.776 1.00 0.00 H new ATOM 0 HA GLN A 60 -11.741 10.284 2.050 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -10.398 13.030 1.554 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -12.098 12.801 1.915 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -11.596 12.073 4.224 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -9.881 11.962 3.883 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -11.720 13.931 5.682 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -11.023 15.502 5.271 1.00 0.00 H new ATOM 906 N ALA A 61 -11.190 11.986 -0.654 1.00 0.00 N ATOM 907 CA ALA A 61 -11.499 12.044 -2.117 1.00 0.00 C ATOM 908 C ALA A 61 -10.222 11.614 -2.897 1.00 0.00 C ATOM 909 O ALA A 61 -9.805 12.278 -3.828 1.00 0.00 O ATOM 910 CB ALA A 61 -11.941 13.491 -2.410 1.00 0.00 C ATOM 0 H ALA A 61 -10.819 12.852 -0.264 1.00 0.00 H new ATOM 0 HA ALA A 61 -12.298 11.370 -2.426 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -12.180 13.591 -3.469 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -12.822 13.730 -1.815 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -11.134 14.177 -2.154 1.00 0.00 H new ATOM 916 N ALA A 62 -9.614 10.522 -2.514 1.00 0.00 N ATOM 917 CA ALA A 62 -8.371 10.061 -3.224 1.00 0.00 C ATOM 918 C ALA A 62 -8.586 8.965 -4.278 1.00 0.00 C ATOM 919 O ALA A 62 -7.655 8.617 -4.985 1.00 0.00 O ATOM 920 CB ALA A 62 -7.417 9.566 -2.156 1.00 0.00 C ATOM 0 H ALA A 62 -9.919 9.927 -1.743 1.00 0.00 H new ATOM 0 HA ALA A 62 -7.982 10.908 -3.790 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -6.496 9.219 -2.624 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -7.190 10.379 -1.466 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -7.878 8.744 -1.609 1.00 0.00 H new ATOM 926 N CYS A 63 -9.797 8.475 -4.360 1.00 0.00 N ATOM 927 CA CYS A 63 -10.133 7.397 -5.346 1.00 0.00 C ATOM 928 C CYS A 63 -10.324 8.001 -6.755 1.00 0.00 C ATOM 929 O CYS A 63 -11.298 7.810 -7.453 1.00 0.00 O ATOM 930 CB CYS A 63 -11.415 6.695 -4.828 1.00 0.00 C ATOM 931 SG CYS A 63 -11.677 5.058 -5.539 1.00 0.00 S ATOM 0 H CYS A 63 -10.579 8.779 -3.779 1.00 0.00 H new ATOM 0 HA CYS A 63 -9.328 6.668 -5.434 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -11.358 6.606 -3.743 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -12.278 7.322 -5.051 1.00 0.00 H new ATOM 936 N GLY A 64 -9.327 8.749 -7.123 1.00 0.00 N ATOM 937 CA GLY A 64 -9.256 9.449 -8.439 1.00 0.00 C ATOM 938 C GLY A 64 -7.831 9.904 -8.733 1.00 0.00 C ATOM 939 O GLY A 64 -7.643 10.761 -9.567 1.00 0.00 O ATOM 0 H GLY A 64 -8.512 8.914 -6.533 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -9.600 8.782 -9.230 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -9.924 10.310 -8.435 1.00 0.00 H new ATOM 943 N LYS A 65 -6.850 9.357 -8.054 1.00 0.00 N ATOM 944 CA LYS A 65 -5.443 9.784 -8.327 1.00 0.00 C ATOM 945 C LYS A 65 -4.501 8.572 -8.321 1.00 0.00 C ATOM 946 O LYS A 65 -4.779 7.532 -7.748 1.00 0.00 O ATOM 947 CB LYS A 65 -4.997 10.825 -7.240 1.00 0.00 C ATOM 948 CG LYS A 65 -6.051 11.980 -7.133 1.00 0.00 C ATOM 949 CD LYS A 65 -5.443 13.244 -6.460 1.00 0.00 C ATOM 950 CE LYS A 65 -4.843 14.142 -7.553 1.00 0.00 C ATOM 951 NZ LYS A 65 -4.207 15.363 -6.933 1.00 0.00 N ATOM 0 H LYS A 65 -6.961 8.644 -7.333 1.00 0.00 H new ATOM 0 HA LYS A 65 -5.395 10.246 -9.313 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -4.889 10.330 -6.275 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -4.021 11.236 -7.498 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -6.415 12.236 -8.128 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -6.911 11.638 -6.557 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -6.211 13.784 -5.906 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -4.675 12.957 -5.742 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -4.099 13.586 -8.124 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -5.621 14.444 -8.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -3.805 15.963 -7.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -4.926 15.900 -6.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -3.451 15.068 -6.282 1.00 0.00 H new ATOM 965 N CYS A 66 -3.382 8.760 -8.970 1.00 0.00 N ATOM 966 CA CYS A 66 -2.330 7.706 -9.082 1.00 0.00 C ATOM 967 C CYS A 66 -0.975 8.179 -8.460 1.00 0.00 C ATOM 968 O CYS A 66 -0.731 9.344 -8.215 1.00 0.00 O ATOM 969 CB CYS A 66 -2.259 7.376 -10.598 1.00 0.00 C ATOM 970 SG CYS A 66 -3.581 6.289 -11.211 1.00 0.00 S ATOM 0 H CYS A 66 -3.146 9.632 -9.444 1.00 0.00 H new ATOM 0 HA CYS A 66 -2.565 6.806 -8.513 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -2.288 8.310 -11.159 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -1.297 6.907 -10.808 1.00 0.00 H new ATOM 975 N LEU A 67 -0.096 7.257 -8.200 1.00 0.00 N ATOM 976 CA LEU A 67 1.243 7.595 -7.587 1.00 0.00 C ATOM 977 C LEU A 67 2.417 7.099 -8.457 1.00 0.00 C ATOM 978 O LEU A 67 2.395 5.992 -8.970 1.00 0.00 O ATOM 979 CB LEU A 67 1.226 6.957 -6.148 1.00 0.00 C ATOM 980 CG LEU A 67 1.413 8.031 -5.036 1.00 0.00 C ATOM 981 CD1 LEU A 67 1.069 7.391 -3.676 1.00 0.00 C ATOM 982 CD2 LEU A 67 2.892 8.414 -4.930 1.00 0.00 C ATOM 0 H LEU A 67 -0.238 6.264 -8.384 1.00 0.00 H new ATOM 0 HA LEU A 67 1.397 8.672 -7.524 1.00 0.00 H new ATOM 0 HB2 LEU A 67 0.282 6.435 -5.993 1.00 0.00 H new ATOM 0 HB3 LEU A 67 2.019 6.213 -6.071 1.00 0.00 H new ATOM 0 HG LEU A 67 0.787 8.891 -5.275 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.194 8.130 -2.884 1.00 0.00 H new ATOM 0 HD12 LEU A 67 0.036 7.044 -3.688 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.733 6.546 -3.493 1.00 0.00 H new ATOM 0 HD21 LEU A 67 3.018 9.166 -4.151 1.00 0.00 H new ATOM 0 HD22 LEU A 67 3.480 7.531 -4.681 1.00 0.00 H new ATOM 0 HD23 LEU A 67 3.232 8.819 -5.883 1.00 0.00 H new ATOM 994 N ARG A 68 3.419 7.921 -8.581 1.00 0.00 N ATOM 995 CA ARG A 68 4.580 7.515 -9.408 1.00 0.00 C ATOM 996 C ARG A 68 5.597 6.947 -8.427 1.00 0.00 C ATOM 997 O ARG A 68 5.971 7.593 -7.460 1.00 0.00 O ATOM 998 CB ARG A 68 5.085 8.761 -10.113 1.00 0.00 C ATOM 999 CG ARG A 68 6.134 8.384 -11.164 1.00 0.00 C ATOM 1000 CD ARG A 68 6.540 9.675 -11.825 1.00 0.00 C ATOM 1001 NE ARG A 68 7.445 9.303 -12.960 1.00 0.00 N ATOM 1002 CZ ARG A 68 8.222 10.123 -13.554 1.00 0.00 C ATOM 1003 NH1 ARG A 68 8.427 11.267 -13.051 1.00 0.00 N ATOM 1004 NH2 ARG A 68 8.762 9.755 -14.647 1.00 0.00 N ATOM 0 H ARG A 68 3.483 8.844 -8.151 1.00 0.00 H new ATOM 0 HA ARG A 68 4.356 6.769 -10.170 1.00 0.00 H new ATOM 0 HB2 ARG A 68 4.253 9.281 -10.588 1.00 0.00 H new ATOM 0 HB3 ARG A 68 5.518 9.449 -9.387 1.00 0.00 H new ATOM 0 HG2 ARG A 68 6.992 7.895 -10.702 1.00 0.00 H new ATOM 0 HG3 ARG A 68 5.723 7.685 -11.892 1.00 0.00 H new ATOM 0 HD2 ARG A 68 5.667 10.218 -12.187 1.00 0.00 H new ATOM 0 HD3 ARG A 68 7.052 10.329 -11.119 1.00 0.00 H new ATOM 0 HE ARG A 68 7.440 8.334 -13.278 1.00 0.00 H new ATOM 0 HH11 ARG A 68 7.972 11.528 -12.176 1.00 0.00 H new ATOM 0 HH12 ARG A 68 9.047 11.927 -13.521 1.00 0.00 H new ATOM 0 HH21 ARG A 68 8.569 8.827 -15.024 1.00 0.00 H new ATOM 0 HH22 ARG A 68 9.388 10.388 -15.145 1.00 0.00 H new ATOM 1018 N VAL A 69 5.994 5.745 -8.733 1.00 0.00 N ATOM 1019 CA VAL A 69 6.981 5.001 -7.905 1.00 0.00 C ATOM 1020 C VAL A 69 8.217 4.767 -8.777 1.00 0.00 C ATOM 1021 O VAL A 69 8.143 4.175 -9.838 1.00 0.00 O ATOM 1022 CB VAL A 69 6.376 3.643 -7.468 1.00 0.00 C ATOM 1023 CG1 VAL A 69 7.302 2.979 -6.435 1.00 0.00 C ATOM 1024 CG2 VAL A 69 4.982 3.828 -6.849 1.00 0.00 C ATOM 0 H VAL A 69 5.664 5.231 -9.550 1.00 0.00 H new ATOM 0 HA VAL A 69 7.243 5.563 -7.008 1.00 0.00 H new ATOM 0 HB VAL A 69 6.281 3.013 -8.352 1.00 0.00 H new ATOM 0 HG11 VAL A 69 6.877 2.024 -6.127 1.00 0.00 H new ATOM 0 HG12 VAL A 69 8.283 2.813 -6.879 1.00 0.00 H new ATOM 0 HG13 VAL A 69 7.402 3.629 -5.566 1.00 0.00 H new ATOM 0 HG21 VAL A 69 4.584 2.858 -6.552 1.00 0.00 H new ATOM 0 HG22 VAL A 69 5.055 4.473 -5.973 1.00 0.00 H new ATOM 0 HG23 VAL A 69 4.316 4.285 -7.581 1.00 0.00 H new ATOM 1034 N THR A 70 9.320 5.250 -8.281 1.00 0.00 N ATOM 1035 CA THR A 70 10.647 5.128 -8.976 1.00 0.00 C ATOM 1036 C THR A 70 11.627 4.344 -8.122 1.00 0.00 C ATOM 1037 O THR A 70 11.587 4.401 -6.901 1.00 0.00 O ATOM 1038 CB THR A 70 11.246 6.514 -9.232 1.00 0.00 C ATOM 1039 OG1 THR A 70 10.546 6.984 -10.365 1.00 0.00 O ATOM 1040 CG2 THR A 70 12.696 6.465 -9.746 1.00 0.00 C ATOM 0 H THR A 70 9.365 5.744 -7.390 1.00 0.00 H new ATOM 0 HA THR A 70 10.478 4.611 -9.920 1.00 0.00 H new ATOM 0 HB THR A 70 11.193 7.090 -8.308 1.00 0.00 H new ATOM 0 HG1 THR A 70 10.869 7.879 -10.601 1.00 0.00 H new ATOM 0 HG21 THR A 70 13.060 7.480 -9.907 1.00 0.00 H new ATOM 0 HG22 THR A 70 13.326 5.966 -9.010 1.00 0.00 H new ATOM 0 HG23 THR A 70 12.730 5.914 -10.686 1.00 0.00 H new ATOM 1048 N ASN A 71 12.490 3.642 -8.799 1.00 0.00 N ATOM 1049 CA ASN A 71 13.520 2.818 -8.117 1.00 0.00 C ATOM 1050 C ASN A 71 14.966 3.326 -8.401 1.00 0.00 C ATOM 1051 O ASN A 71 15.532 2.942 -9.407 1.00 0.00 O ATOM 1052 CB ASN A 71 13.319 1.368 -8.613 1.00 0.00 C ATOM 1053 CG ASN A 71 14.304 0.479 -7.886 1.00 0.00 C ATOM 1054 OD1 ASN A 71 15.055 0.924 -7.043 1.00 0.00 O ATOM 1055 ND2 ASN A 71 14.363 -0.780 -8.148 1.00 0.00 N ATOM 0 H ASN A 71 12.524 3.605 -9.818 1.00 0.00 H new ATOM 0 HA ASN A 71 13.403 2.882 -7.035 1.00 0.00 H new ATOM 0 HB2 ASN A 71 12.297 1.039 -8.422 1.00 0.00 H new ATOM 0 HB3 ASN A 71 13.477 1.309 -9.690 1.00 0.00 H new ATOM 0 HD21 ASN A 71 15.028 -1.374 -7.652 1.00 0.00 H new ATOM 0 HD22 ASN A 71 13.745 -1.184 -8.852 1.00 0.00 H new ATOM 1062 N PRO A 72 15.542 4.139 -7.535 1.00 0.00 N ATOM 1063 CA PRO A 72 16.929 4.679 -7.722 1.00 0.00 C ATOM 1064 C PRO A 72 17.998 3.576 -7.855 1.00 0.00 C ATOM 1065 O PRO A 72 19.147 3.858 -8.139 1.00 0.00 O ATOM 1066 CB PRO A 72 17.185 5.564 -6.505 1.00 0.00 C ATOM 1067 CG PRO A 72 15.779 5.935 -6.014 1.00 0.00 C ATOM 1068 CD PRO A 72 14.947 4.646 -6.267 1.00 0.00 C ATOM 0 HA PRO A 72 17.000 5.234 -8.658 1.00 0.00 H new ATOM 0 HB2 PRO A 72 17.749 5.034 -5.737 1.00 0.00 H new ATOM 0 HB3 PRO A 72 17.762 6.450 -6.770 1.00 0.00 H new ATOM 0 HG2 PRO A 72 15.783 6.208 -4.959 1.00 0.00 H new ATOM 0 HG3 PRO A 72 15.375 6.786 -6.562 1.00 0.00 H new ATOM 0 HD2 PRO A 72 15.048 3.928 -5.453 1.00 0.00 H new ATOM 0 HD3 PRO A 72 13.884 4.861 -6.372 1.00 0.00 H new ATOM 1076 N ALA A 73 17.582 2.355 -7.630 1.00 0.00 N ATOM 1077 CA ALA A 73 18.503 1.197 -7.727 1.00 0.00 C ATOM 1078 C ALA A 73 18.494 0.642 -9.176 1.00 0.00 C ATOM 1079 O ALA A 73 19.554 0.458 -9.736 1.00 0.00 O ATOM 1080 CB ALA A 73 18.022 0.154 -6.697 1.00 0.00 C ATOM 0 H ALA A 73 16.623 2.114 -7.379 1.00 0.00 H new ATOM 0 HA ALA A 73 19.534 1.475 -7.507 1.00 0.00 H new ATOM 0 HB1 ALA A 73 18.673 -0.720 -6.733 1.00 0.00 H new ATOM 0 HB2 ALA A 73 18.052 0.589 -5.698 1.00 0.00 H new ATOM 0 HB3 ALA A 73 17.000 -0.145 -6.932 1.00 0.00 H new ATOM 1086 N THR A 74 17.338 0.397 -9.750 1.00 0.00 N ATOM 1087 CA THR A 74 17.316 -0.148 -11.163 1.00 0.00 C ATOM 1088 C THR A 74 17.132 0.954 -12.192 1.00 0.00 C ATOM 1089 O THR A 74 17.394 0.749 -13.362 1.00 0.00 O ATOM 1090 CB THR A 74 16.156 -1.202 -11.353 1.00 0.00 C ATOM 1091 OG1 THR A 74 14.910 -0.623 -10.979 1.00 0.00 O ATOM 1092 CG2 THR A 74 16.322 -2.341 -10.348 1.00 0.00 C ATOM 0 H THR A 74 16.425 0.544 -9.320 1.00 0.00 H new ATOM 0 HA THR A 74 18.282 -0.628 -11.318 1.00 0.00 H new ATOM 0 HB THR A 74 16.188 -1.530 -12.392 1.00 0.00 H new ATOM 0 HG1 THR A 74 14.264 -1.334 -10.784 1.00 0.00 H new ATOM 0 HG21 THR A 74 15.519 -3.066 -10.483 1.00 0.00 H new ATOM 0 HG22 THR A 74 17.283 -2.830 -10.508 1.00 0.00 H new ATOM 0 HG23 THR A 74 16.283 -1.941 -9.335 1.00 0.00 H new ATOM 1100 N GLY A 75 16.674 2.083 -11.722 1.00 0.00 N ATOM 1101 CA GLY A 75 16.443 3.267 -12.605 1.00 0.00 C ATOM 1102 C GLY A 75 15.065 3.206 -13.217 1.00 0.00 C ATOM 1103 O GLY A 75 14.694 4.084 -13.959 1.00 0.00 O ATOM 0 H GLY A 75 16.445 2.239 -10.740 1.00 0.00 H new ATOM 0 HA2 GLY A 75 16.551 4.185 -12.028 1.00 0.00 H new ATOM 0 HA3 GLY A 75 17.197 3.294 -13.392 1.00 0.00 H new ATOM 1107 N ALA A 76 14.323 2.183 -12.887 1.00 0.00 N ATOM 1108 CA ALA A 76 12.952 2.022 -13.443 1.00 0.00 C ATOM 1109 C ALA A 76 11.932 2.837 -12.629 1.00 0.00 C ATOM 1110 O ALA A 76 12.219 3.328 -11.551 1.00 0.00 O ATOM 1111 CB ALA A 76 12.656 0.499 -13.415 1.00 0.00 C ATOM 0 H ALA A 76 14.614 1.444 -12.247 1.00 0.00 H new ATOM 0 HA ALA A 76 12.877 2.402 -14.462 1.00 0.00 H new ATOM 0 HB1 ALA A 76 11.658 0.315 -13.813 1.00 0.00 H new ATOM 0 HB2 ALA A 76 13.392 -0.026 -14.024 1.00 0.00 H new ATOM 0 HB3 ALA A 76 12.710 0.137 -12.388 1.00 0.00 H new ATOM 1117 N GLN A 77 10.759 2.960 -13.195 1.00 0.00 N ATOM 1118 CA GLN A 77 9.643 3.727 -12.533 1.00 0.00 C ATOM 1119 C GLN A 77 8.247 3.357 -13.088 1.00 0.00 C ATOM 1120 O GLN A 77 8.086 3.247 -14.286 1.00 0.00 O ATOM 1121 CB GLN A 77 9.942 5.252 -12.724 1.00 0.00 C ATOM 1122 CG GLN A 77 10.003 5.678 -14.239 1.00 0.00 C ATOM 1123 CD GLN A 77 8.638 6.119 -14.783 1.00 0.00 C ATOM 1124 OE1 GLN A 77 8.102 7.138 -14.408 1.00 0.00 O ATOM 1125 NE2 GLN A 77 8.008 5.426 -15.662 1.00 0.00 N ATOM 0 H GLN A 77 10.517 2.558 -14.101 1.00 0.00 H new ATOM 0 HA GLN A 77 9.610 3.467 -11.475 1.00 0.00 H new ATOM 0 HB2 GLN A 77 9.172 5.834 -12.218 1.00 0.00 H new ATOM 0 HB3 GLN A 77 10.891 5.494 -12.245 1.00 0.00 H new ATOM 0 HG2 GLN A 77 10.717 6.493 -14.355 1.00 0.00 H new ATOM 0 HG3 GLN A 77 10.374 4.843 -14.833 1.00 0.00 H new ATOM 0 HE21 GLN A 77 8.413 4.558 -16.014 1.00 0.00 H new ATOM 0 HE22 GLN A 77 7.103 5.743 -16.009 1.00 0.00 H new ATOM 1134 N ILE A 78 7.283 3.180 -12.231 1.00 0.00 N ATOM 1135 CA ILE A 78 5.891 2.821 -12.652 1.00 0.00 C ATOM 1136 C ILE A 78 4.840 3.806 -12.081 1.00 0.00 C ATOM 1137 O ILE A 78 5.101 4.519 -11.128 1.00 0.00 O ATOM 1138 CB ILE A 78 5.639 1.377 -12.154 1.00 0.00 C ATOM 1139 CG1 ILE A 78 4.514 0.709 -12.980 1.00 0.00 C ATOM 1140 CG2 ILE A 78 5.258 1.347 -10.651 1.00 0.00 C ATOM 1141 CD1 ILE A 78 5.118 0.113 -14.271 1.00 0.00 C ATOM 0 H ILE A 78 7.402 3.271 -11.222 1.00 0.00 H new ATOM 0 HA ILE A 78 5.793 2.885 -13.736 1.00 0.00 H new ATOM 0 HB ILE A 78 6.569 0.824 -12.284 1.00 0.00 H new ATOM 0 HG12 ILE A 78 4.032 -0.074 -12.394 1.00 0.00 H new ATOM 0 HG13 ILE A 78 3.745 1.441 -13.228 1.00 0.00 H new ATOM 0 HG21 ILE A 78 5.089 0.316 -10.339 1.00 0.00 H new ATOM 0 HG22 ILE A 78 6.068 1.776 -10.062 1.00 0.00 H new ATOM 0 HG23 ILE A 78 4.349 1.927 -10.495 1.00 0.00 H new ATOM 0 HD11 ILE A 78 4.330 -0.359 -14.857 1.00 0.00 H new ATOM 0 HD12 ILE A 78 5.580 0.908 -14.857 1.00 0.00 H new ATOM 0 HD13 ILE A 78 5.871 -0.630 -14.011 1.00 0.00 H new ATOM 1153 N THR A 79 3.687 3.807 -12.691 1.00 0.00 N ATOM 1154 CA THR A 79 2.552 4.690 -12.248 1.00 0.00 C ATOM 1155 C THR A 79 1.552 3.705 -11.627 1.00 0.00 C ATOM 1156 O THR A 79 1.005 2.859 -12.315 1.00 0.00 O ATOM 1157 CB THR A 79 1.882 5.407 -13.448 1.00 0.00 C ATOM 1158 OG1 THR A 79 2.857 6.330 -13.896 1.00 0.00 O ATOM 1159 CG2 THR A 79 0.803 6.373 -12.994 1.00 0.00 C ATOM 0 H THR A 79 3.472 3.221 -13.498 1.00 0.00 H new ATOM 0 HA THR A 79 2.889 5.473 -11.569 1.00 0.00 H new ATOM 0 HB THR A 79 1.507 4.652 -14.139 1.00 0.00 H new ATOM 0 HG1 THR A 79 2.507 6.828 -14.664 1.00 0.00 H new ATOM 0 HG21 THR A 79 0.357 6.856 -13.864 1.00 0.00 H new ATOM 0 HG22 THR A 79 0.033 5.828 -12.447 1.00 0.00 H new ATOM 0 HG23 THR A 79 1.242 7.130 -12.344 1.00 0.00 H new ATOM 1167 N ALA A 80 1.344 3.838 -10.349 1.00 0.00 N ATOM 1168 CA ALA A 80 0.400 2.937 -9.622 1.00 0.00 C ATOM 1169 C ALA A 80 -0.897 3.717 -9.280 1.00 0.00 C ATOM 1170 O ALA A 80 -0.929 4.919 -9.399 1.00 0.00 O ATOM 1171 CB ALA A 80 1.178 2.449 -8.379 1.00 0.00 C ATOM 0 H ALA A 80 1.794 4.543 -9.765 1.00 0.00 H new ATOM 0 HA ALA A 80 0.074 2.077 -10.207 1.00 0.00 H new ATOM 0 HB1 ALA A 80 0.547 1.780 -7.794 1.00 0.00 H new ATOM 0 HB2 ALA A 80 2.074 1.916 -8.697 1.00 0.00 H new ATOM 0 HB3 ALA A 80 1.463 3.306 -7.768 1.00 0.00 H new ATOM 1177 N ARG A 81 -1.930 3.056 -8.855 1.00 0.00 N ATOM 1178 CA ARG A 81 -3.203 3.782 -8.523 1.00 0.00 C ATOM 1179 C ARG A 81 -3.558 3.683 -7.030 1.00 0.00 C ATOM 1180 O ARG A 81 -3.442 2.618 -6.445 1.00 0.00 O ATOM 1181 CB ARG A 81 -4.197 3.153 -9.491 1.00 0.00 C ATOM 1182 CG ARG A 81 -5.690 3.282 -9.080 1.00 0.00 C ATOM 1183 CD ARG A 81 -6.080 2.179 -8.065 1.00 0.00 C ATOM 1184 NE ARG A 81 -5.426 0.882 -8.510 1.00 0.00 N ATOM 1185 CZ ARG A 81 -5.741 0.238 -9.570 1.00 0.00 C ATOM 1186 NH1 ARG A 81 -5.604 0.776 -10.706 1.00 0.00 N ATOM 1187 NH2 ARG A 81 -6.172 -0.943 -9.461 1.00 0.00 N ATOM 0 H ARG A 81 -1.959 2.045 -8.720 1.00 0.00 H new ATOM 0 HA ARG A 81 -3.162 4.864 -8.652 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -4.065 3.611 -10.471 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -3.956 2.095 -9.599 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -5.867 4.264 -8.642 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -6.323 3.208 -9.964 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -5.749 2.449 -7.062 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -7.163 2.065 -8.023 1.00 0.00 H new ATOM 0 HE ARG A 81 -4.685 0.498 -7.924 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -5.241 1.726 -10.780 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -5.856 0.260 -11.549 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -6.264 -1.369 -8.539 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -6.428 -1.471 -10.295 1.00 0.00 H new ATOM 1201 N ILE A 82 -3.997 4.799 -6.499 1.00 0.00 N ATOM 1202 CA ILE A 82 -4.381 4.916 -5.052 1.00 0.00 C ATOM 1203 C ILE A 82 -5.785 4.319 -4.831 1.00 0.00 C ATOM 1204 O ILE A 82 -6.756 4.925 -5.231 1.00 0.00 O ATOM 1205 CB ILE A 82 -4.320 6.452 -4.691 1.00 0.00 C ATOM 1206 CG1 ILE A 82 -2.924 7.019 -5.138 1.00 0.00 C ATOM 1207 CG2 ILE A 82 -4.502 6.625 -3.160 1.00 0.00 C ATOM 1208 CD1 ILE A 82 -2.720 8.496 -4.724 1.00 0.00 C ATOM 0 H ILE A 82 -4.109 5.665 -7.027 1.00 0.00 H new ATOM 0 HA ILE A 82 -3.705 4.359 -4.403 1.00 0.00 H new ATOM 0 HB ILE A 82 -5.114 6.994 -5.205 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -2.132 6.411 -4.701 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -2.831 6.933 -6.221 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -4.461 7.684 -2.906 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -5.467 6.217 -2.860 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -3.706 6.095 -2.637 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -1.740 8.835 -5.058 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -3.493 9.113 -5.183 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -2.783 8.582 -3.639 1.00 0.00 H new ATOM 1220 N VAL A 83 -5.849 3.163 -4.214 1.00 0.00 N ATOM 1221 CA VAL A 83 -7.159 2.460 -3.935 1.00 0.00 C ATOM 1222 C VAL A 83 -7.538 2.327 -2.436 1.00 0.00 C ATOM 1223 O VAL A 83 -8.710 2.373 -2.079 1.00 0.00 O ATOM 1224 CB VAL A 83 -7.082 1.034 -4.615 1.00 0.00 C ATOM 1225 CG1 VAL A 83 -5.814 0.254 -4.180 1.00 0.00 C ATOM 1226 CG2 VAL A 83 -8.278 0.155 -4.201 1.00 0.00 C ATOM 0 H VAL A 83 -5.028 2.658 -3.880 1.00 0.00 H new ATOM 0 HA VAL A 83 -7.953 3.079 -4.352 1.00 0.00 H new ATOM 0 HB VAL A 83 -7.074 1.222 -5.689 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -5.800 -0.720 -4.670 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -4.925 0.817 -4.465 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -5.825 0.116 -3.099 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -8.198 -0.819 -4.684 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -8.276 0.025 -3.119 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -9.207 0.637 -4.507 1.00 0.00 H new ATOM 1236 N ASP A 84 -6.516 2.147 -1.622 1.00 0.00 N ATOM 1237 CA ASP A 84 -6.725 1.998 -0.133 1.00 0.00 C ATOM 1238 C ASP A 84 -5.774 2.809 0.836 1.00 0.00 C ATOM 1239 O ASP A 84 -4.976 3.622 0.417 1.00 0.00 O ATOM 1240 CB ASP A 84 -6.658 0.460 0.073 1.00 0.00 C ATOM 1241 CG ASP A 84 -7.246 0.012 1.403 1.00 0.00 C ATOM 1242 OD1 ASP A 84 -8.078 0.722 1.948 1.00 0.00 O ATOM 1243 OD2 ASP A 84 -6.808 -1.049 1.788 1.00 0.00 O ATOM 0 H ASP A 84 -5.543 2.096 -1.924 1.00 0.00 H new ATOM 0 HA ASP A 84 -7.671 2.456 0.157 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -7.192 -0.033 -0.739 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -5.619 0.136 0.014 1.00 0.00 H new ATOM 1248 N GLN A 85 -5.873 2.573 2.119 1.00 0.00 N ATOM 1249 CA GLN A 85 -5.016 3.289 3.132 1.00 0.00 C ATOM 1250 C GLN A 85 -3.848 2.407 3.646 1.00 0.00 C ATOM 1251 O GLN A 85 -3.864 1.214 3.434 1.00 0.00 O ATOM 1252 CB GLN A 85 -5.976 3.678 4.250 1.00 0.00 C ATOM 1253 CG GLN A 85 -6.416 2.424 5.076 1.00 0.00 C ATOM 1254 CD GLN A 85 -7.495 2.795 6.095 1.00 0.00 C ATOM 1255 OE1 GLN A 85 -8.607 3.138 5.763 1.00 0.00 O ATOM 1256 NE2 GLN A 85 -7.222 2.746 7.358 1.00 0.00 N ATOM 0 H GLN A 85 -6.525 1.900 2.523 1.00 0.00 H new ATOM 0 HA GLN A 85 -4.524 4.160 2.698 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -5.497 4.402 4.909 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -6.854 4.165 3.826 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -6.794 1.654 4.403 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -5.553 2.001 5.591 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -6.293 2.460 7.668 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -7.935 2.993 8.044 1.00 0.00 H new ATOM 1265 N CYS A 86 -2.860 2.949 4.309 1.00 0.00 N ATOM 1266 CA CYS A 86 -1.763 2.031 4.779 1.00 0.00 C ATOM 1267 C CYS A 86 -2.116 1.496 6.185 1.00 0.00 C ATOM 1268 O CYS A 86 -2.804 2.118 6.971 1.00 0.00 O ATOM 1269 CB CYS A 86 -0.408 2.780 4.867 1.00 0.00 C ATOM 1270 SG CYS A 86 -0.031 3.671 6.398 1.00 0.00 S ATOM 0 H CYS A 86 -2.758 3.937 4.540 1.00 0.00 H new ATOM 0 HA CYS A 86 -1.672 1.214 4.063 1.00 0.00 H new ATOM 0 HB2 CYS A 86 0.387 2.054 4.698 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -0.367 3.495 4.045 1.00 0.00 H new ATOM 1275 N ALA A 87 -1.621 0.316 6.450 1.00 0.00 N ATOM 1276 CA ALA A 87 -1.865 -0.350 7.773 1.00 0.00 C ATOM 1277 C ALA A 87 -0.612 -1.054 8.329 1.00 0.00 C ATOM 1278 O ALA A 87 -0.073 -0.683 9.350 1.00 0.00 O ATOM 1279 CB ALA A 87 -3.023 -1.348 7.568 1.00 0.00 C ATOM 0 H ALA A 87 -1.050 -0.225 5.801 1.00 0.00 H new ATOM 0 HA ALA A 87 -2.121 0.403 8.518 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -3.235 -1.857 8.508 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -3.912 -0.811 7.237 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -2.741 -2.082 6.813 1.00 0.00 H new ATOM 1285 N ASN A 88 -0.196 -2.069 7.624 1.00 0.00 N ATOM 1286 CA ASN A 88 1.012 -2.836 8.066 1.00 0.00 C ATOM 1287 C ASN A 88 1.952 -3.248 6.927 1.00 0.00 C ATOM 1288 O ASN A 88 3.145 -3.078 7.040 1.00 0.00 O ATOM 1289 CB ASN A 88 0.532 -4.102 8.880 1.00 0.00 C ATOM 1290 CG ASN A 88 -0.329 -5.137 8.145 1.00 0.00 C ATOM 1291 OD1 ASN A 88 -0.331 -6.295 8.492 1.00 0.00 O ATOM 1292 ND2 ASN A 88 -1.091 -4.835 7.147 1.00 0.00 N ATOM 0 H ASN A 88 -0.634 -2.402 6.765 1.00 0.00 H new ATOM 0 HA ASN A 88 1.606 -2.169 8.691 1.00 0.00 H new ATOM 0 HB2 ASN A 88 1.417 -4.612 9.261 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -0.031 -3.751 9.745 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -1.652 -5.558 6.697 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -1.131 -3.874 6.809 1.00 0.00 H new ATOM 1299 N GLY A 89 1.393 -3.780 5.869 1.00 0.00 N ATOM 1300 CA GLY A 89 2.203 -4.234 4.677 1.00 0.00 C ATOM 1301 C GLY A 89 3.164 -3.206 4.060 1.00 0.00 C ATOM 1302 O GLY A 89 4.359 -3.418 4.065 1.00 0.00 O ATOM 0 H GLY A 89 0.388 -3.925 5.772 1.00 0.00 H new ATOM 0 HA2 GLY A 89 2.784 -5.107 4.974 1.00 0.00 H new ATOM 0 HA3 GLY A 89 1.511 -4.561 3.901 1.00 0.00 H new ATOM 1306 N GLY A 90 2.638 -2.129 3.540 1.00 0.00 N ATOM 1307 CA GLY A 90 3.535 -1.092 2.924 1.00 0.00 C ATOM 1308 C GLY A 90 2.941 -0.177 1.852 1.00 0.00 C ATOM 1309 O GLY A 90 2.149 0.687 2.174 1.00 0.00 O ATOM 0 H GLY A 90 1.640 -1.918 3.512 1.00 0.00 H new ATOM 0 HA2 GLY A 90 3.918 -0.462 3.727 1.00 0.00 H new ATOM 0 HA3 GLY A 90 4.391 -1.607 2.487 1.00 0.00 H new ATOM 1313 N LEU A 91 3.319 -0.379 0.617 1.00 0.00 N ATOM 1314 CA LEU A 91 2.777 0.503 -0.474 1.00 0.00 C ATOM 1315 C LEU A 91 1.790 -0.118 -1.421 1.00 0.00 C ATOM 1316 O LEU A 91 0.743 0.447 -1.643 1.00 0.00 O ATOM 1317 CB LEU A 91 3.965 1.086 -1.315 1.00 0.00 C ATOM 1318 CG LEU A 91 4.575 2.400 -0.749 1.00 0.00 C ATOM 1319 CD1 LEU A 91 3.530 3.545 -0.853 1.00 0.00 C ATOM 1320 CD2 LEU A 91 4.966 2.251 0.724 1.00 0.00 C ATOM 0 H LEU A 91 3.969 -1.104 0.313 1.00 0.00 H new ATOM 0 HA LEU A 91 2.216 1.268 0.063 1.00 0.00 H new ATOM 0 HB2 LEU A 91 4.751 0.334 -1.379 1.00 0.00 H new ATOM 0 HB3 LEU A 91 3.617 1.271 -2.331 1.00 0.00 H new ATOM 0 HG LEU A 91 5.467 2.626 -1.334 1.00 0.00 H new ATOM 0 HD11 LEU A 91 3.958 4.465 -0.456 1.00 0.00 H new ATOM 0 HD12 LEU A 91 3.255 3.693 -1.897 1.00 0.00 H new ATOM 0 HD13 LEU A 91 2.642 3.281 -0.278 1.00 0.00 H new ATOM 0 HD21 LEU A 91 5.388 3.189 1.085 1.00 0.00 H new ATOM 0 HD22 LEU A 91 4.083 2.001 1.311 1.00 0.00 H new ATOM 0 HD23 LEU A 91 5.706 1.457 0.826 1.00 0.00 H new ATOM 1332 N ASP A 92 2.133 -1.241 -1.949 1.00 0.00 N ATOM 1333 CA ASP A 92 1.205 -1.921 -2.912 1.00 0.00 C ATOM 1334 C ASP A 92 0.220 -2.867 -2.196 1.00 0.00 C ATOM 1335 O ASP A 92 0.355 -3.060 -1.001 1.00 0.00 O ATOM 1336 CB ASP A 92 2.086 -2.684 -3.952 1.00 0.00 C ATOM 1337 CG ASP A 92 3.432 -3.107 -3.374 1.00 0.00 C ATOM 1338 OD1 ASP A 92 3.454 -3.697 -2.311 1.00 0.00 O ATOM 1339 OD2 ASP A 92 4.372 -2.789 -4.084 1.00 0.00 O ATOM 0 H ASP A 92 3.010 -1.730 -1.767 1.00 0.00 H new ATOM 0 HA ASP A 92 0.584 -1.180 -3.415 1.00 0.00 H new ATOM 0 HB2 ASP A 92 1.550 -3.567 -4.300 1.00 0.00 H new ATOM 0 HB3 ASP A 92 2.251 -2.047 -4.821 1.00 0.00 H new ATOM 1344 N LEU A 93 -0.766 -3.433 -2.867 1.00 0.00 N ATOM 1345 CA LEU A 93 -1.664 -4.341 -2.109 1.00 0.00 C ATOM 1346 C LEU A 93 -1.185 -5.783 -2.355 1.00 0.00 C ATOM 1347 O LEU A 93 -0.916 -6.475 -1.401 1.00 0.00 O ATOM 1348 CB LEU A 93 -3.105 -4.081 -2.600 1.00 0.00 C ATOM 1349 CG LEU A 93 -3.795 -2.993 -1.786 1.00 0.00 C ATOM 1350 CD1 LEU A 93 -3.137 -1.637 -2.057 1.00 0.00 C ATOM 1351 CD2 LEU A 93 -5.267 -2.931 -2.222 1.00 0.00 C ATOM 0 H LEU A 93 -0.973 -3.308 -3.858 1.00 0.00 H new ATOM 0 HA LEU A 93 -1.645 -4.170 -1.033 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -3.084 -3.790 -3.650 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -3.682 -5.003 -2.536 1.00 0.00 H new ATOM 0 HG LEU A 93 -3.714 -3.219 -0.723 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -3.637 -0.866 -1.471 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -2.085 -1.681 -1.776 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -3.220 -1.398 -3.117 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -5.783 -2.158 -1.652 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -5.322 -2.696 -3.285 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -5.742 -3.895 -2.038 1.00 0.00 H new ATOM 1363 N ASP A 94 -1.090 -6.238 -3.576 1.00 0.00 N ATOM 1364 CA ASP A 94 -0.619 -7.616 -3.788 1.00 0.00 C ATOM 1365 C ASP A 94 0.925 -7.689 -3.947 1.00 0.00 C ATOM 1366 O ASP A 94 1.692 -7.762 -3.002 1.00 0.00 O ATOM 1367 CB ASP A 94 -1.407 -8.127 -5.022 1.00 0.00 C ATOM 1368 CG ASP A 94 -0.942 -9.539 -5.314 1.00 0.00 C ATOM 1369 OD1 ASP A 94 -1.301 -10.371 -4.490 1.00 0.00 O ATOM 1370 OD2 ASP A 94 -0.263 -9.626 -6.325 1.00 0.00 O ATOM 0 H ASP A 94 -1.318 -5.714 -4.421 1.00 0.00 H new ATOM 0 HA ASP A 94 -0.808 -8.256 -2.926 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -2.479 -8.111 -4.825 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -1.231 -7.481 -5.882 1.00 0.00 H new ATOM 1375 N TRP A 95 1.296 -7.638 -5.206 1.00 0.00 N ATOM 1376 CA TRP A 95 2.737 -7.711 -5.624 1.00 0.00 C ATOM 1377 C TRP A 95 2.906 -7.816 -7.143 1.00 0.00 C ATOM 1378 O TRP A 95 3.675 -7.094 -7.752 1.00 0.00 O ATOM 1379 CB TRP A 95 3.288 -8.940 -5.015 1.00 0.00 C ATOM 1380 CG TRP A 95 4.676 -9.411 -5.519 1.00 0.00 C ATOM 1381 CD1 TRP A 95 5.885 -8.911 -5.125 1.00 0.00 C ATOM 1382 CD2 TRP A 95 4.885 -10.403 -6.418 1.00 0.00 C ATOM 1383 NE1 TRP A 95 6.745 -9.642 -5.815 1.00 0.00 N ATOM 1384 CE2 TRP A 95 6.239 -10.563 -6.619 1.00 0.00 C ATOM 1385 CE3 TRP A 95 3.997 -11.211 -7.111 1.00 0.00 C ATOM 1386 CZ2 TRP A 95 6.708 -11.517 -7.500 1.00 0.00 C ATOM 1387 CZ3 TRP A 95 4.461 -12.165 -7.993 1.00 0.00 C ATOM 1388 CH2 TRP A 95 5.820 -12.322 -8.190 1.00 0.00 C ATOM 0 H TRP A 95 0.642 -7.546 -5.983 1.00 0.00 H new ATOM 0 HA TRP A 95 3.245 -6.802 -5.302 1.00 0.00 H new ATOM 0 HB2 TRP A 95 3.353 -8.785 -3.938 1.00 0.00 H new ATOM 0 HB3 TRP A 95 2.575 -9.748 -5.179 1.00 0.00 H new ATOM 0 HD1 TRP A 95 6.088 -8.115 -4.423 1.00 0.00 H new ATOM 0 HE1 TRP A 95 7.752 -9.502 -5.731 1.00 0.00 H new ATOM 0 HE3 TRP A 95 2.934 -11.093 -6.959 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 7.771 -11.635 -7.651 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 3.762 -12.789 -8.530 1.00 0.00 H new ATOM 0 HH2 TRP A 95 6.186 -13.069 -8.879 1.00 0.00 H new ATOM 1399 N ASP A 96 2.118 -8.729 -7.665 1.00 0.00 N ATOM 1400 CA ASP A 96 2.107 -9.059 -9.133 1.00 0.00 C ATOM 1401 C ASP A 96 1.845 -7.856 -10.004 1.00 0.00 C ATOM 1402 O ASP A 96 2.062 -7.858 -11.197 1.00 0.00 O ATOM 1403 CB ASP A 96 1.022 -10.142 -9.409 1.00 0.00 C ATOM 1404 CG ASP A 96 1.186 -10.715 -10.822 1.00 0.00 C ATOM 1405 OD1 ASP A 96 2.248 -11.271 -11.021 1.00 0.00 O ATOM 1406 OD2 ASP A 96 0.280 -10.585 -11.627 1.00 0.00 O ATOM 0 H ASP A 96 1.458 -9.279 -7.115 1.00 0.00 H new ATOM 0 HA ASP A 96 3.100 -9.429 -9.387 1.00 0.00 H new ATOM 0 HB2 ASP A 96 1.103 -10.942 -8.673 1.00 0.00 H new ATOM 0 HB3 ASP A 96 0.029 -9.707 -9.299 1.00 0.00 H new ATOM 1411 N THR A 97 1.388 -6.833 -9.367 1.00 0.00 N ATOM 1412 CA THR A 97 1.052 -5.551 -10.039 1.00 0.00 C ATOM 1413 C THR A 97 2.221 -4.540 -10.118 1.00 0.00 C ATOM 1414 O THR A 97 2.697 -4.244 -11.195 1.00 0.00 O ATOM 1415 CB THR A 97 -0.181 -4.978 -9.262 1.00 0.00 C ATOM 1416 OG1 THR A 97 0.341 -4.204 -8.194 1.00 0.00 O ATOM 1417 CG2 THR A 97 -0.926 -6.095 -8.430 1.00 0.00 C ATOM 0 H THR A 97 1.224 -6.827 -8.360 1.00 0.00 H new ATOM 0 HA THR A 97 0.825 -5.734 -11.089 1.00 0.00 H new ATOM 0 HB THR A 97 -0.820 -4.485 -9.994 1.00 0.00 H new ATOM 0 HG1 THR A 97 -0.096 -4.466 -7.357 1.00 0.00 H new ATOM 0 HG21 THR A 97 -1.774 -5.654 -7.907 1.00 0.00 H new ATOM 0 HG22 THR A 97 -1.281 -6.875 -9.104 1.00 0.00 H new ATOM 0 HG23 THR A 97 -0.238 -6.528 -7.704 1.00 0.00 H new ATOM 1425 N VAL A 98 2.671 -4.050 -8.986 1.00 0.00 N ATOM 1426 CA VAL A 98 3.775 -3.056 -8.841 1.00 0.00 C ATOM 1427 C VAL A 98 5.201 -3.579 -8.689 1.00 0.00 C ATOM 1428 O VAL A 98 5.950 -3.558 -9.636 1.00 0.00 O ATOM 1429 CB VAL A 98 3.405 -2.166 -7.609 1.00 0.00 C ATOM 1430 CG1 VAL A 98 4.527 -1.161 -7.250 1.00 0.00 C ATOM 1431 CG2 VAL A 98 2.120 -1.372 -7.909 1.00 0.00 C ATOM 0 H VAL A 98 2.278 -4.328 -8.087 1.00 0.00 H new ATOM 0 HA VAL A 98 3.826 -2.527 -9.792 1.00 0.00 H new ATOM 0 HB VAL A 98 3.262 -2.838 -6.763 1.00 0.00 H new ATOM 0 HG11 VAL A 98 4.222 -0.567 -6.389 1.00 0.00 H new ATOM 0 HG12 VAL A 98 5.440 -1.706 -7.010 1.00 0.00 H new ATOM 0 HG13 VAL A 98 4.710 -0.502 -8.099 1.00 0.00 H new ATOM 0 HG21 VAL A 98 1.865 -0.753 -7.049 1.00 0.00 H new ATOM 0 HG22 VAL A 98 2.280 -0.735 -8.779 1.00 0.00 H new ATOM 0 HG23 VAL A 98 1.303 -2.065 -8.112 1.00 0.00 H new ATOM 1441 N PHE A 99 5.530 -4.037 -7.504 1.00 0.00 N ATOM 1442 CA PHE A 99 6.926 -4.567 -7.207 1.00 0.00 C ATOM 1443 C PHE A 99 7.687 -5.250 -8.392 1.00 0.00 C ATOM 1444 O PHE A 99 8.596 -4.679 -8.961 1.00 0.00 O ATOM 1445 CB PHE A 99 6.824 -5.555 -5.987 1.00 0.00 C ATOM 1446 CG PHE A 99 8.196 -5.583 -5.265 1.00 0.00 C ATOM 1447 CD1 PHE A 99 8.618 -4.451 -4.585 1.00 0.00 C ATOM 1448 CD2 PHE A 99 9.034 -6.688 -5.272 1.00 0.00 C ATOM 1449 CE1 PHE A 99 9.845 -4.426 -3.934 1.00 0.00 C ATOM 1450 CE2 PHE A 99 10.254 -6.663 -4.625 1.00 0.00 C ATOM 1451 CZ PHE A 99 10.662 -5.537 -3.957 1.00 0.00 C ATOM 0 H PHE A 99 4.890 -4.072 -6.711 1.00 0.00 H new ATOM 0 HA PHE A 99 7.534 -3.689 -6.990 1.00 0.00 H new ATOM 0 HB2 PHE A 99 6.041 -5.231 -5.301 1.00 0.00 H new ATOM 0 HB3 PHE A 99 6.555 -6.554 -6.329 1.00 0.00 H new ATOM 0 HD1 PHE A 99 7.984 -3.577 -4.561 1.00 0.00 H new ATOM 0 HD2 PHE A 99 8.727 -7.583 -5.792 1.00 0.00 H new ATOM 0 HE1 PHE A 99 10.159 -3.536 -3.409 1.00 0.00 H new ATOM 0 HE2 PHE A 99 10.890 -7.535 -4.645 1.00 0.00 H new ATOM 0 HZ PHE A 99 11.617 -5.520 -3.452 1.00 0.00 H new ATOM 1461 N THR A 100 7.292 -6.446 -8.740 1.00 0.00 N ATOM 1462 CA THR A 100 7.938 -7.226 -9.875 1.00 0.00 C ATOM 1463 C THR A 100 8.424 -6.378 -11.049 1.00 0.00 C ATOM 1464 O THR A 100 9.434 -6.643 -11.670 1.00 0.00 O ATOM 1465 CB THR A 100 6.958 -8.289 -10.510 1.00 0.00 C ATOM 1466 OG1 THR A 100 6.238 -7.687 -11.591 1.00 0.00 O ATOM 1467 CG2 THR A 100 5.767 -8.506 -9.653 1.00 0.00 C ATOM 0 H THR A 100 6.528 -6.941 -8.280 1.00 0.00 H new ATOM 0 HA THR A 100 8.790 -7.689 -9.377 1.00 0.00 H new ATOM 0 HB THR A 100 7.585 -9.156 -10.716 1.00 0.00 H new ATOM 0 HG1 THR A 100 6.298 -8.260 -12.383 1.00 0.00 H new ATOM 0 HG21 THR A 100 5.113 -9.243 -10.119 1.00 0.00 H new ATOM 0 HG22 THR A 100 6.084 -8.868 -8.675 1.00 0.00 H new ATOM 0 HG23 THR A 100 5.228 -7.566 -9.535 1.00 0.00 H new ATOM 1475 N LYS A 101 7.630 -5.363 -11.287 1.00 0.00 N ATOM 1476 CA LYS A 101 7.882 -4.419 -12.388 1.00 0.00 C ATOM 1477 C LYS A 101 9.101 -3.480 -12.222 1.00 0.00 C ATOM 1478 O LYS A 101 9.865 -3.282 -13.144 1.00 0.00 O ATOM 1479 CB LYS A 101 6.632 -3.546 -12.577 1.00 0.00 C ATOM 1480 CG LYS A 101 5.298 -4.320 -12.611 1.00 0.00 C ATOM 1481 CD LYS A 101 5.218 -5.367 -13.746 1.00 0.00 C ATOM 1482 CE LYS A 101 3.808 -5.974 -13.680 1.00 0.00 C ATOM 1483 NZ LYS A 101 3.719 -6.842 -12.467 1.00 0.00 N ATOM 0 H LYS A 101 6.795 -5.155 -10.739 1.00 0.00 H new ATOM 0 HA LYS A 101 8.114 -5.046 -13.249 1.00 0.00 H new ATOM 0 HB2 LYS A 101 6.591 -2.816 -11.769 1.00 0.00 H new ATOM 0 HB3 LYS A 101 6.735 -2.987 -13.507 1.00 0.00 H new ATOM 0 HG2 LYS A 101 5.155 -4.822 -11.654 1.00 0.00 H new ATOM 0 HG3 LYS A 101 4.479 -3.610 -12.725 1.00 0.00 H new ATOM 0 HD2 LYS A 101 5.395 -4.902 -14.716 1.00 0.00 H new ATOM 0 HD3 LYS A 101 5.978 -6.137 -13.618 1.00 0.00 H new ATOM 0 HE2 LYS A 101 3.058 -5.184 -13.636 1.00 0.00 H new ATOM 0 HE3 LYS A 101 3.605 -6.557 -14.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 2.919 -7.499 -12.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 4.601 -7.384 -12.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 3.575 -6.248 -11.625 1.00 0.00 H new ATOM 1497 N ILE A 102 9.239 -2.939 -11.039 1.00 0.00 N ATOM 1498 CA ILE A 102 10.382 -2.001 -10.781 1.00 0.00 C ATOM 1499 C ILE A 102 11.661 -2.742 -10.395 1.00 0.00 C ATOM 1500 O ILE A 102 12.714 -2.128 -10.313 1.00 0.00 O ATOM 1501 CB ILE A 102 9.956 -0.978 -9.664 1.00 0.00 C ATOM 1502 CG1 ILE A 102 9.385 -1.730 -8.437 1.00 0.00 C ATOM 1503 CG2 ILE A 102 8.902 0.009 -10.257 1.00 0.00 C ATOM 1504 CD1 ILE A 102 9.036 -0.762 -7.288 1.00 0.00 C ATOM 0 H ILE A 102 8.619 -3.101 -10.246 1.00 0.00 H new ATOM 0 HA ILE A 102 10.609 -1.465 -11.703 1.00 0.00 H new ATOM 0 HB ILE A 102 10.825 -0.412 -9.330 1.00 0.00 H new ATOM 0 HG12 ILE A 102 8.493 -2.283 -8.731 1.00 0.00 H new ATOM 0 HG13 ILE A 102 10.113 -2.462 -8.088 1.00 0.00 H new ATOM 0 HG21 ILE A 102 8.600 0.723 -9.490 1.00 0.00 H new ATOM 0 HG22 ILE A 102 9.339 0.545 -11.100 1.00 0.00 H new ATOM 0 HG23 ILE A 102 8.030 -0.550 -10.596 1.00 0.00 H new ATOM 0 HD11 ILE A 102 8.638 -1.327 -6.445 1.00 0.00 H new ATOM 0 HD12 ILE A 102 9.934 -0.228 -6.976 1.00 0.00 H new ATOM 0 HD13 ILE A 102 8.289 -0.046 -7.630 1.00 0.00 H new ATOM 1516 N ASP A 103 11.541 -4.022 -10.163 1.00 0.00 N ATOM 1517 CA ASP A 103 12.747 -4.810 -9.807 1.00 0.00 C ATOM 1518 C ASP A 103 13.111 -5.545 -11.120 1.00 0.00 C ATOM 1519 O ASP A 103 12.297 -5.977 -11.913 1.00 0.00 O ATOM 1520 CB ASP A 103 12.430 -5.826 -8.657 1.00 0.00 C ATOM 1521 CG ASP A 103 13.681 -6.659 -8.295 1.00 0.00 C ATOM 1522 OD1 ASP A 103 14.756 -6.271 -8.730 1.00 0.00 O ATOM 1523 OD2 ASP A 103 13.476 -7.641 -7.599 1.00 0.00 O ATOM 0 H ASP A 103 10.668 -4.548 -10.205 1.00 0.00 H new ATOM 0 HA ASP A 103 13.563 -4.190 -9.436 1.00 0.00 H new ATOM 0 HB2 ASP A 103 12.080 -5.287 -7.777 1.00 0.00 H new ATOM 0 HB3 ASP A 103 11.623 -6.490 -8.966 1.00 0.00 H new ATOM 1528 N THR A 104 14.385 -5.658 -11.292 1.00 0.00 N ATOM 1529 CA THR A 104 14.962 -6.324 -12.498 1.00 0.00 C ATOM 1530 C THR A 104 15.164 -7.808 -12.285 1.00 0.00 C ATOM 1531 O THR A 104 14.819 -8.617 -13.123 1.00 0.00 O ATOM 1532 CB THR A 104 16.291 -5.636 -12.806 1.00 0.00 C ATOM 1533 OG1 THR A 104 16.898 -5.409 -11.541 1.00 0.00 O ATOM 1534 CG2 THR A 104 16.079 -4.217 -13.262 1.00 0.00 C ATOM 0 H THR A 104 15.080 -5.309 -10.632 1.00 0.00 H new ATOM 0 HA THR A 104 14.270 -6.229 -13.335 1.00 0.00 H new ATOM 0 HB THR A 104 16.831 -6.239 -13.536 1.00 0.00 H new ATOM 0 HG1 THR A 104 17.764 -4.967 -11.668 1.00 0.00 H new ATOM 0 HG21 THR A 104 17.043 -3.755 -13.473 1.00 0.00 H new ATOM 0 HG22 THR A 104 15.469 -4.212 -14.165 1.00 0.00 H new ATOM 0 HG23 THR A 104 15.571 -3.655 -12.478 1.00 0.00 H new ATOM 1542 N ASN A 105 15.722 -8.129 -11.153 1.00 0.00 N ATOM 1543 CA ASN A 105 15.979 -9.567 -10.819 1.00 0.00 C ATOM 1544 C ASN A 105 15.178 -10.055 -9.573 1.00 0.00 C ATOM 1545 O ASN A 105 14.004 -10.357 -9.658 1.00 0.00 O ATOM 1546 CB ASN A 105 17.559 -9.692 -10.659 1.00 0.00 C ATOM 1547 CG ASN A 105 18.192 -8.638 -9.739 1.00 0.00 C ATOM 1548 OD1 ASN A 105 17.782 -8.440 -8.617 1.00 0.00 O ATOM 1549 ND2 ASN A 105 19.203 -7.930 -10.130 1.00 0.00 N ATOM 0 H ASN A 105 16.014 -7.461 -10.440 1.00 0.00 H new ATOM 0 HA ASN A 105 15.622 -10.229 -11.607 1.00 0.00 H new ATOM 0 HB2 ASN A 105 17.795 -10.683 -10.271 1.00 0.00 H new ATOM 0 HB3 ASN A 105 18.018 -9.618 -11.645 1.00 0.00 H new ATOM 0 HD21 ASN A 105 19.618 -7.242 -9.501 1.00 0.00 H new ATOM 0 HD22 ASN A 105 19.585 -8.060 -11.067 1.00 0.00 H new ATOM 1556 N GLY A 106 15.822 -10.135 -8.444 1.00 0.00 N ATOM 1557 CA GLY A 106 15.136 -10.591 -7.189 1.00 0.00 C ATOM 1558 C GLY A 106 15.914 -10.300 -5.906 1.00 0.00 C ATOM 1559 O GLY A 106 15.570 -10.823 -4.860 1.00 0.00 O ATOM 0 H GLY A 106 16.808 -9.902 -8.329 1.00 0.00 H new ATOM 0 HA2 GLY A 106 14.161 -10.108 -7.126 1.00 0.00 H new ATOM 0 HA3 GLY A 106 14.957 -11.664 -7.256 1.00 0.00 H new ATOM 1563 N ILE A 107 16.940 -9.486 -6.002 1.00 0.00 N ATOM 1564 CA ILE A 107 17.745 -9.144 -4.793 1.00 0.00 C ATOM 1565 C ILE A 107 16.783 -8.506 -3.759 1.00 0.00 C ATOM 1566 O ILE A 107 16.787 -8.877 -2.598 1.00 0.00 O ATOM 1567 CB ILE A 107 18.898 -8.164 -5.220 1.00 0.00 C ATOM 1568 CG1 ILE A 107 19.823 -8.803 -6.312 1.00 0.00 C ATOM 1569 CG2 ILE A 107 19.774 -7.809 -3.991 1.00 0.00 C ATOM 1570 CD1 ILE A 107 20.607 -10.041 -5.817 1.00 0.00 C ATOM 0 H ILE A 107 17.252 -9.045 -6.867 1.00 0.00 H new ATOM 0 HA ILE A 107 18.210 -10.021 -4.342 1.00 0.00 H new ATOM 0 HB ILE A 107 18.428 -7.270 -5.630 1.00 0.00 H new ATOM 0 HG12 ILE A 107 19.214 -9.089 -7.169 1.00 0.00 H new ATOM 0 HG13 ILE A 107 20.531 -8.051 -6.661 1.00 0.00 H new ATOM 0 HG21 ILE A 107 20.570 -7.130 -4.296 1.00 0.00 H new ATOM 0 HG22 ILE A 107 19.158 -7.328 -3.232 1.00 0.00 H new ATOM 0 HG23 ILE A 107 20.211 -8.719 -3.580 1.00 0.00 H new ATOM 0 HD11 ILE A 107 21.225 -10.428 -6.627 1.00 0.00 H new ATOM 0 HD12 ILE A 107 21.244 -9.757 -4.979 1.00 0.00 H new ATOM 0 HD13 ILE A 107 19.906 -10.811 -5.496 1.00 0.00 H new ATOM 1582 N GLY A 108 15.972 -7.566 -4.192 1.00 0.00 N ATOM 1583 CA GLY A 108 14.992 -6.891 -3.269 1.00 0.00 C ATOM 1584 C GLY A 108 14.087 -7.949 -2.628 1.00 0.00 C ATOM 1585 O GLY A 108 13.944 -8.009 -1.424 1.00 0.00 O ATOM 0 H GLY A 108 15.945 -7.233 -5.156 1.00 0.00 H new ATOM 0 HA2 GLY A 108 15.525 -6.336 -2.497 1.00 0.00 H new ATOM 0 HA3 GLY A 108 14.391 -6.169 -3.823 1.00 0.00 H new ATOM 1589 N TYR A 109 13.490 -8.766 -3.468 1.00 0.00 N ATOM 1590 CA TYR A 109 12.574 -9.862 -2.984 1.00 0.00 C ATOM 1591 C TYR A 109 13.153 -10.572 -1.743 1.00 0.00 C ATOM 1592 O TYR A 109 12.554 -10.477 -0.687 1.00 0.00 O ATOM 1593 CB TYR A 109 12.359 -10.889 -4.125 1.00 0.00 C ATOM 1594 CG TYR A 109 11.451 -12.025 -3.608 1.00 0.00 C ATOM 1595 CD1 TYR A 109 10.076 -11.872 -3.574 1.00 0.00 C ATOM 1596 CD2 TYR A 109 12.000 -13.210 -3.154 1.00 0.00 C ATOM 1597 CE1 TYR A 109 9.271 -12.888 -3.092 1.00 0.00 C ATOM 1598 CE2 TYR A 109 11.188 -14.219 -2.675 1.00 0.00 C ATOM 1599 CZ TYR A 109 9.826 -14.061 -2.642 1.00 0.00 C ATOM 1600 OH TYR A 109 9.033 -15.078 -2.162 1.00 0.00 O ATOM 0 H TYR A 109 13.598 -8.722 -4.481 1.00 0.00 H new ATOM 0 HA TYR A 109 11.622 -9.415 -2.699 1.00 0.00 H new ATOM 0 HB2 TYR A 109 11.902 -10.404 -4.988 1.00 0.00 H new ATOM 0 HB3 TYR A 109 13.316 -11.292 -4.455 1.00 0.00 H new ATOM 0 HD1 TYR A 109 9.629 -10.954 -3.926 1.00 0.00 H new ATOM 0 HD2 TYR A 109 13.071 -13.347 -3.174 1.00 0.00 H new ATOM 0 HE1 TYR A 109 8.199 -12.758 -3.069 1.00 0.00 H new ATOM 0 HE2 TYR A 109 11.629 -15.140 -2.323 1.00 0.00 H new ATOM 0 HH TYR A 109 9.597 -15.831 -1.889 1.00 0.00 H new ATOM 1610 N GLN A 110 14.276 -11.233 -1.931 1.00 0.00 N ATOM 1611 CA GLN A 110 14.963 -11.973 -0.813 1.00 0.00 C ATOM 1612 C GLN A 110 15.043 -11.137 0.489 1.00 0.00 C ATOM 1613 O GLN A 110 14.673 -11.621 1.540 1.00 0.00 O ATOM 1614 CB GLN A 110 16.375 -12.386 -1.348 1.00 0.00 C ATOM 1615 CG GLN A 110 16.167 -13.571 -2.360 1.00 0.00 C ATOM 1616 CD GLN A 110 17.474 -14.088 -2.976 1.00 0.00 C ATOM 1617 OE1 GLN A 110 18.402 -14.475 -2.303 1.00 0.00 O ATOM 1618 NE2 GLN A 110 17.606 -14.128 -4.264 1.00 0.00 N ATOM 0 H GLN A 110 14.755 -11.292 -2.829 1.00 0.00 H new ATOM 0 HA GLN A 110 14.390 -12.857 -0.532 1.00 0.00 H new ATOM 0 HB2 GLN A 110 16.861 -11.543 -1.839 1.00 0.00 H new ATOM 0 HB3 GLN A 110 17.022 -12.692 -0.526 1.00 0.00 H new ATOM 0 HG2 GLN A 110 15.667 -14.392 -1.847 1.00 0.00 H new ATOM 0 HG3 GLN A 110 15.503 -13.243 -3.160 1.00 0.00 H new ATOM 0 HE21 GLN A 110 16.845 -13.810 -4.865 1.00 0.00 H new ATOM 0 HE22 GLN A 110 18.471 -14.477 -4.677 1.00 0.00 H new ATOM 1627 N GLN A 111 15.528 -9.922 0.387 1.00 0.00 N ATOM 1628 CA GLN A 111 15.637 -9.032 1.598 1.00 0.00 C ATOM 1629 C GLN A 111 14.282 -8.983 2.369 1.00 0.00 C ATOM 1630 O GLN A 111 14.247 -9.073 3.582 1.00 0.00 O ATOM 1631 CB GLN A 111 16.075 -7.633 1.089 1.00 0.00 C ATOM 1632 CG GLN A 111 17.579 -7.661 0.623 1.00 0.00 C ATOM 1633 CD GLN A 111 18.494 -7.605 1.846 1.00 0.00 C ATOM 1634 OE1 GLN A 111 18.336 -6.759 2.693 1.00 0.00 O ATOM 1635 NE2 GLN A 111 19.464 -8.445 2.019 1.00 0.00 N ATOM 0 H GLN A 111 15.855 -9.503 -0.484 1.00 0.00 H new ATOM 0 HA GLN A 111 16.371 -9.413 2.308 1.00 0.00 H new ATOM 0 HB2 GLN A 111 15.437 -7.325 0.260 1.00 0.00 H new ATOM 0 HB3 GLN A 111 15.947 -6.895 1.881 1.00 0.00 H new ATOM 0 HG2 GLN A 111 17.776 -8.567 0.050 1.00 0.00 H new ATOM 0 HG3 GLN A 111 17.782 -6.816 -0.035 1.00 0.00 H new ATOM 0 HE21 GLN A 111 19.634 -9.176 1.329 1.00 0.00 H new ATOM 0 HE22 GLN A 111 20.058 -8.375 2.845 1.00 0.00 H new ATOM 1644 N GLY A 112 13.210 -8.832 1.624 1.00 0.00 N ATOM 1645 CA GLY A 112 11.828 -8.776 2.237 1.00 0.00 C ATOM 1646 C GLY A 112 11.083 -7.484 1.946 1.00 0.00 C ATOM 1647 O GLY A 112 9.871 -7.421 1.910 1.00 0.00 O ATOM 0 H GLY A 112 13.227 -8.744 0.608 1.00 0.00 H new ATOM 0 HA2 GLY A 112 11.241 -9.615 1.865 1.00 0.00 H new ATOM 0 HA3 GLY A 112 11.914 -8.901 3.316 1.00 0.00 H new ATOM 1651 N HIS A 113 11.882 -6.478 1.769 1.00 0.00 N ATOM 1652 CA HIS A 113 11.401 -5.086 1.473 1.00 0.00 C ATOM 1653 C HIS A 113 12.390 -4.252 0.648 1.00 0.00 C ATOM 1654 O HIS A 113 13.540 -4.630 0.539 1.00 0.00 O ATOM 1655 CB HIS A 113 11.158 -4.433 2.814 1.00 0.00 C ATOM 1656 CG HIS A 113 12.410 -4.665 3.681 1.00 0.00 C ATOM 1657 ND1 HIS A 113 13.621 -4.809 3.236 1.00 0.00 N ATOM 1658 CD2 HIS A 113 12.536 -4.786 5.048 1.00 0.00 C ATOM 1659 CE1 HIS A 113 14.429 -5.005 4.245 1.00 0.00 C ATOM 1660 NE2 HIS A 113 13.789 -4.996 5.391 1.00 0.00 N ATOM 0 H HIS A 113 12.898 -6.558 1.818 1.00 0.00 H new ATOM 0 HA HIS A 113 10.501 -5.141 0.861 1.00 0.00 H new ATOM 0 HB2 HIS A 113 10.970 -3.366 2.692 1.00 0.00 H new ATOM 0 HB3 HIS A 113 10.277 -4.859 3.293 1.00 0.00 H new ATOM 0 HD1 HIS A 113 13.898 -4.775 2.255 1.00 0.00 H new ATOM 0 HD2 HIS A 113 11.715 -4.718 5.746 1.00 0.00 H new ATOM 0 HE1 HIS A 113 15.494 -5.156 4.147 1.00 0.00 H new ATOM 1668 N LEU A 114 11.974 -3.150 0.091 1.00 0.00 N ATOM 1669 CA LEU A 114 12.945 -2.325 -0.696 1.00 0.00 C ATOM 1670 C LEU A 114 12.788 -0.842 -0.280 1.00 0.00 C ATOM 1671 O LEU A 114 11.785 -0.485 0.321 1.00 0.00 O ATOM 1672 CB LEU A 114 12.638 -2.572 -2.196 1.00 0.00 C ATOM 1673 CG LEU A 114 13.820 -2.173 -3.113 1.00 0.00 C ATOM 1674 CD1 LEU A 114 15.121 -2.888 -2.676 1.00 0.00 C ATOM 1675 CD2 LEU A 114 13.484 -2.702 -4.518 1.00 0.00 C ATOM 0 H LEU A 114 11.023 -2.786 0.142 1.00 0.00 H new ATOM 0 HA LEU A 114 13.983 -2.596 -0.506 1.00 0.00 H new ATOM 0 HB2 LEU A 114 12.404 -3.626 -2.348 1.00 0.00 H new ATOM 0 HB3 LEU A 114 11.752 -2.004 -2.481 1.00 0.00 H new ATOM 0 HG LEU A 114 13.963 -1.093 -3.074 1.00 0.00 H new ATOM 0 HD11 LEU A 114 15.938 -2.592 -3.335 1.00 0.00 H new ATOM 0 HD12 LEU A 114 15.363 -2.609 -1.650 1.00 0.00 H new ATOM 0 HD13 LEU A 114 14.980 -3.967 -2.735 1.00 0.00 H new ATOM 0 HD21 LEU A 114 14.290 -2.446 -5.206 1.00 0.00 H new ATOM 0 HD22 LEU A 114 13.369 -3.785 -4.481 1.00 0.00 H new ATOM 0 HD23 LEU A 114 12.554 -2.250 -4.864 1.00 0.00 H new ATOM 1687 N ASN A 115 13.764 -0.028 -0.592 1.00 0.00 N ATOM 1688 CA ASN A 115 13.683 1.428 -0.224 1.00 0.00 C ATOM 1689 C ASN A 115 13.572 2.197 -1.553 1.00 0.00 C ATOM 1690 O ASN A 115 14.521 2.460 -2.266 1.00 0.00 O ATOM 1691 CB ASN A 115 14.951 1.788 0.556 1.00 0.00 C ATOM 1692 CG ASN A 115 14.502 2.640 1.722 1.00 0.00 C ATOM 1693 OD1 ASN A 115 14.345 3.827 1.632 1.00 0.00 O ATOM 1694 ND2 ASN A 115 14.262 2.099 2.867 1.00 0.00 N ATOM 0 H ASN A 115 14.614 -0.303 -1.085 1.00 0.00 H new ATOM 0 HA ASN A 115 12.829 1.674 0.407 1.00 0.00 H new ATOM 0 HB2 ASN A 115 15.462 0.890 0.904 1.00 0.00 H new ATOM 0 HB3 ASN A 115 15.655 2.331 -0.075 1.00 0.00 H new ATOM 0 HD21 ASN A 115 13.953 2.676 3.649 1.00 0.00 H new ATOM 0 HD22 ASN A 115 14.381 1.094 2.991 1.00 0.00 H new ATOM 1701 N VAL A 116 12.342 2.527 -1.822 1.00 0.00 N ATOM 1702 CA VAL A 116 11.991 3.262 -3.069 1.00 0.00 C ATOM 1703 C VAL A 116 11.647 4.727 -2.797 1.00 0.00 C ATOM 1704 O VAL A 116 11.589 5.188 -1.671 1.00 0.00 O ATOM 1705 CB VAL A 116 10.781 2.529 -3.744 1.00 0.00 C ATOM 1706 CG1 VAL A 116 11.047 1.000 -3.822 1.00 0.00 C ATOM 1707 CG2 VAL A 116 9.471 2.765 -2.938 1.00 0.00 C ATOM 0 H VAL A 116 11.548 2.314 -1.218 1.00 0.00 H new ATOM 0 HA VAL A 116 12.856 3.266 -3.733 1.00 0.00 H new ATOM 0 HB VAL A 116 10.668 2.937 -4.749 1.00 0.00 H new ATOM 0 HG11 VAL A 116 10.197 0.506 -4.293 1.00 0.00 H new ATOM 0 HG12 VAL A 116 11.946 0.817 -4.411 1.00 0.00 H new ATOM 0 HG13 VAL A 116 11.185 0.603 -2.816 1.00 0.00 H new ATOM 0 HG21 VAL A 116 8.645 2.247 -3.426 1.00 0.00 H new ATOM 0 HG22 VAL A 116 9.593 2.381 -1.925 1.00 0.00 H new ATOM 0 HG23 VAL A 116 9.256 3.833 -2.898 1.00 0.00 H new ATOM 1717 N ASN A 117 11.421 5.382 -3.904 1.00 0.00 N ATOM 1718 CA ASN A 117 11.068 6.834 -3.945 1.00 0.00 C ATOM 1719 C ASN A 117 9.742 7.060 -4.713 1.00 0.00 C ATOM 1720 O ASN A 117 9.500 6.358 -5.678 1.00 0.00 O ATOM 1721 CB ASN A 117 12.267 7.472 -4.613 1.00 0.00 C ATOM 1722 CG ASN A 117 13.467 7.222 -3.740 1.00 0.00 C ATOM 1723 OD1 ASN A 117 13.910 8.096 -3.046 1.00 0.00 O ATOM 1724 ND2 ASN A 117 14.022 6.059 -3.726 1.00 0.00 N ATOM 0 H ASN A 117 11.469 4.948 -4.826 1.00 0.00 H new ATOM 0 HA ASN A 117 10.882 7.270 -2.963 1.00 0.00 H new ATOM 0 HB2 ASN A 117 12.422 7.048 -5.605 1.00 0.00 H new ATOM 0 HB3 ASN A 117 12.107 8.542 -4.745 1.00 0.00 H new ATOM 0 HD21 ASN A 117 14.831 5.887 -3.129 1.00 0.00 H new ATOM 0 HD22 ASN A 117 13.653 5.311 -4.312 1.00 0.00 H new ATOM 1731 N TYR A 118 8.924 8.004 -4.308 1.00 0.00 N ATOM 1732 CA TYR A 118 7.643 8.209 -5.063 1.00 0.00 C ATOM 1733 C TYR A 118 7.083 9.645 -4.989 1.00 0.00 C ATOM 1734 O TYR A 118 7.357 10.402 -4.075 1.00 0.00 O ATOM 1735 CB TYR A 118 6.601 7.193 -4.532 1.00 0.00 C ATOM 1736 CG TYR A 118 6.253 7.430 -3.062 1.00 0.00 C ATOM 1737 CD1 TYR A 118 5.392 8.444 -2.699 1.00 0.00 C ATOM 1738 CD2 TYR A 118 6.796 6.627 -2.085 1.00 0.00 C ATOM 1739 CE1 TYR A 118 5.081 8.647 -1.373 1.00 0.00 C ATOM 1740 CE2 TYR A 118 6.480 6.833 -0.760 1.00 0.00 C ATOM 1741 CZ TYR A 118 5.625 7.839 -0.400 1.00 0.00 C ATOM 1742 OH TYR A 118 5.332 8.011 0.934 1.00 0.00 O ATOM 0 H TYR A 118 9.079 8.624 -3.513 1.00 0.00 H new ATOM 0 HA TYR A 118 7.858 8.046 -6.119 1.00 0.00 H new ATOM 0 HB2 TYR A 118 5.694 7.259 -5.133 1.00 0.00 H new ATOM 0 HB3 TYR A 118 6.990 6.182 -4.652 1.00 0.00 H new ATOM 0 HD1 TYR A 118 4.960 9.081 -3.457 1.00 0.00 H new ATOM 0 HD2 TYR A 118 7.473 5.831 -2.358 1.00 0.00 H new ATOM 0 HE1 TYR A 118 4.407 9.444 -1.095 1.00 0.00 H new ATOM 0 HE2 TYR A 118 6.910 6.197 -0.001 1.00 0.00 H new ATOM 0 HH TYR A 118 4.360 8.026 1.056 1.00 0.00 H new ATOM 1752 N GLN A 119 6.290 9.981 -5.965 1.00 0.00 N ATOM 1753 CA GLN A 119 5.666 11.348 -6.044 1.00 0.00 C ATOM 1754 C GLN A 119 4.185 11.248 -6.498 1.00 0.00 C ATOM 1755 O GLN A 119 3.862 10.375 -7.286 1.00 0.00 O ATOM 1756 CB GLN A 119 6.518 12.221 -7.061 1.00 0.00 C ATOM 1757 CG GLN A 119 7.790 11.468 -7.641 1.00 0.00 C ATOM 1758 CD GLN A 119 8.920 11.135 -6.644 1.00 0.00 C ATOM 1759 OE1 GLN A 119 9.710 10.258 -6.911 1.00 0.00 O ATOM 1760 NE2 GLN A 119 9.094 11.744 -5.518 1.00 0.00 N ATOM 0 H GLN A 119 6.037 9.358 -6.732 1.00 0.00 H new ATOM 0 HA GLN A 119 5.669 11.820 -5.062 1.00 0.00 H new ATOM 0 HB2 GLN A 119 5.878 12.525 -7.889 1.00 0.00 H new ATOM 0 HB3 GLN A 119 6.844 13.132 -6.559 1.00 0.00 H new ATOM 0 HG2 GLN A 119 7.454 10.536 -8.096 1.00 0.00 H new ATOM 0 HG3 GLN A 119 8.211 12.079 -8.439 1.00 0.00 H new ATOM 0 HE21 GLN A 119 8.459 12.492 -5.239 1.00 0.00 H new ATOM 0 HE22 GLN A 119 9.866 11.477 -4.908 1.00 0.00 H new ATOM 1769 N PHE A 120 3.310 12.107 -6.029 1.00 0.00 N ATOM 1770 CA PHE A 120 1.871 11.967 -6.509 1.00 0.00 C ATOM 1771 C PHE A 120 1.768 12.248 -8.041 1.00 0.00 C ATOM 1772 O PHE A 120 2.502 13.070 -8.551 1.00 0.00 O ATOM 1773 CB PHE A 120 0.975 12.971 -5.743 1.00 0.00 C ATOM 1774 CG PHE A 120 0.563 12.509 -4.330 1.00 0.00 C ATOM 1775 CD1 PHE A 120 1.485 12.536 -3.312 1.00 0.00 C ATOM 1776 CD2 PHE A 120 -0.734 12.101 -4.040 1.00 0.00 C ATOM 1777 CE1 PHE A 120 1.144 12.179 -2.029 1.00 0.00 C ATOM 1778 CE2 PHE A 120 -1.073 11.740 -2.743 1.00 0.00 C ATOM 1779 CZ PHE A 120 -0.133 11.782 -1.735 1.00 0.00 C ATOM 0 H PHE A 120 3.500 12.863 -5.371 1.00 0.00 H new ATOM 0 HA PHE A 120 1.538 10.947 -6.319 1.00 0.00 H new ATOM 0 HB2 PHE A 120 1.503 13.921 -5.662 1.00 0.00 H new ATOM 0 HB3 PHE A 120 0.074 13.156 -6.329 1.00 0.00 H new ATOM 0 HD1 PHE A 120 2.498 12.844 -3.524 1.00 0.00 H new ATOM 0 HD2 PHE A 120 -1.477 12.065 -4.823 1.00 0.00 H new ATOM 0 HE1 PHE A 120 1.889 12.212 -1.247 1.00 0.00 H new ATOM 0 HE2 PHE A 120 -2.082 11.424 -2.522 1.00 0.00 H new ATOM 0 HZ PHE A 120 -0.401 11.505 -0.726 1.00 0.00 H new ATOM 1789 N VAL A 121 0.879 11.553 -8.726 1.00 0.00 N ATOM 1790 CA VAL A 121 0.686 11.743 -10.211 1.00 0.00 C ATOM 1791 C VAL A 121 -0.771 11.398 -10.716 1.00 0.00 C ATOM 1792 O VAL A 121 -1.609 10.906 -9.977 1.00 0.00 O ATOM 1793 CB VAL A 121 1.813 10.857 -10.871 1.00 0.00 C ATOM 1794 CG1 VAL A 121 1.284 9.760 -11.784 1.00 0.00 C ATOM 1795 CG2 VAL A 121 2.744 11.756 -11.690 1.00 0.00 C ATOM 0 H VAL A 121 0.268 10.849 -8.311 1.00 0.00 H new ATOM 0 HA VAL A 121 0.779 12.791 -10.496 1.00 0.00 H new ATOM 0 HB VAL A 121 2.334 10.366 -10.049 1.00 0.00 H new ATOM 0 HG11 VAL A 121 2.120 9.196 -12.198 1.00 0.00 H new ATOM 0 HG12 VAL A 121 0.642 9.090 -11.213 1.00 0.00 H new ATOM 0 HG13 VAL A 121 0.711 10.207 -12.596 1.00 0.00 H new ATOM 0 HG21 VAL A 121 3.525 11.149 -12.149 1.00 0.00 H new ATOM 0 HG22 VAL A 121 2.171 12.259 -12.469 1.00 0.00 H new ATOM 0 HG23 VAL A 121 3.199 12.500 -11.036 1.00 0.00 H new ATOM 1805 N ASP A 122 -1.013 11.701 -11.968 1.00 0.00 N ATOM 1806 CA ASP A 122 -2.358 11.415 -12.567 1.00 0.00 C ATOM 1807 C ASP A 122 -2.403 10.019 -13.190 1.00 0.00 C ATOM 1808 O ASP A 122 -1.364 9.408 -13.357 1.00 0.00 O ATOM 1809 CB ASP A 122 -2.637 12.514 -13.608 1.00 0.00 C ATOM 1810 CG ASP A 122 -3.140 13.796 -12.946 1.00 0.00 C ATOM 1811 OD1 ASP A 122 -3.165 13.868 -11.725 1.00 0.00 O ATOM 1812 OD2 ASP A 122 -3.477 14.642 -13.756 1.00 0.00 O ATOM 0 H ASP A 122 -0.340 12.133 -12.601 1.00 0.00 H new ATOM 0 HA ASP A 122 -3.130 11.424 -11.797 1.00 0.00 H new ATOM 0 HB2 ASP A 122 -1.726 12.726 -14.169 1.00 0.00 H new ATOM 0 HB3 ASP A 122 -3.377 12.159 -14.325 1.00 0.00 H new ATOM 1817 N CYS A 123 -3.564 9.519 -13.530 1.00 0.00 N ATOM 1818 CA CYS A 123 -3.565 8.160 -14.135 1.00 0.00 C ATOM 1819 C CYS A 123 -3.436 8.305 -15.634 1.00 0.00 C ATOM 1820 O CYS A 123 -2.608 7.659 -16.229 1.00 0.00 O ATOM 1821 CB CYS A 123 -4.860 7.466 -13.718 1.00 0.00 C ATOM 1822 SG CYS A 123 -5.098 7.423 -11.920 1.00 0.00 S ATOM 0 H CYS A 123 -4.472 9.971 -13.421 1.00 0.00 H new ATOM 0 HA CYS A 123 -2.729 7.551 -13.793 1.00 0.00 H new ATOM 0 HB2 CYS A 123 -5.704 7.979 -14.178 1.00 0.00 H new ATOM 0 HB3 CYS A 123 -4.859 6.446 -14.103 1.00 0.00 H new ATOM 1827 N ARG A 124 -4.250 9.153 -16.180 1.00 0.00 N ATOM 1828 CA ARG A 124 -4.247 9.408 -17.667 1.00 0.00 C ATOM 1829 C ARG A 124 -4.422 8.069 -18.422 1.00 0.00 C ATOM 1830 O ARG A 124 -3.528 7.633 -19.128 1.00 0.00 O ATOM 1831 CB ARG A 124 -2.890 10.085 -18.069 1.00 0.00 C ATOM 1832 CG ARG A 124 -2.960 10.598 -19.546 1.00 0.00 C ATOM 1833 CD ARG A 124 -1.548 10.910 -20.084 1.00 0.00 C ATOM 1834 NE ARG A 124 -0.907 9.575 -20.371 1.00 0.00 N ATOM 1835 CZ ARG A 124 0.292 9.464 -20.827 1.00 0.00 C ATOM 1836 NH1 ARG A 124 0.616 10.182 -21.821 1.00 0.00 N ATOM 1837 NH2 ARG A 124 1.110 8.654 -20.281 1.00 0.00 N ATOM 0 H ARG A 124 -4.937 9.699 -15.660 1.00 0.00 H new ATOM 0 HA ARG A 124 -5.071 10.071 -17.932 1.00 0.00 H new ATOM 0 HB2 ARG A 124 -2.677 10.916 -17.397 1.00 0.00 H new ATOM 0 HB3 ARG A 124 -2.073 9.371 -17.962 1.00 0.00 H new ATOM 0 HG2 ARG A 124 -3.436 9.846 -20.175 1.00 0.00 H new ATOM 0 HG3 ARG A 124 -3.579 11.494 -19.596 1.00 0.00 H new ATOM 0 HD2 ARG A 124 -1.600 11.520 -20.986 1.00 0.00 H new ATOM 0 HD3 ARG A 124 -0.967 11.472 -19.353 1.00 0.00 H new ATOM 0 HE ARG A 124 -1.445 8.726 -20.197 1.00 0.00 H new ATOM 0 HH11 ARG A 124 -0.065 10.821 -22.232 1.00 0.00 H new ATOM 0 HH12 ARG A 124 1.557 10.121 -22.209 1.00 0.00 H new ATOM 0 HH21 ARG A 124 0.815 8.093 -19.482 1.00 0.00 H new ATOM 0 HH22 ARG A 124 2.060 8.567 -20.643 1.00 0.00 H new ATOM 1851 N ASP A 125 -5.573 7.489 -18.226 1.00 0.00 N ATOM 1852 CA ASP A 125 -5.896 6.194 -18.884 1.00 0.00 C ATOM 1853 C ASP A 125 -6.452 6.521 -20.308 1.00 0.00 C ATOM 1854 O ASP A 125 -7.622 6.869 -20.445 1.00 0.00 O ATOM 1855 CB ASP A 125 -6.922 5.491 -17.963 1.00 0.00 C ATOM 1856 CG ASP A 125 -6.840 3.974 -18.107 1.00 0.00 C ATOM 1857 OD1 ASP A 125 -7.497 3.406 -18.958 1.00 0.00 O ATOM 1858 OD2 ASP A 125 -6.090 3.422 -17.323 1.00 0.00 O ATOM 1859 OXT ASP A 125 -5.619 6.406 -21.197 1.00 0.00 O ATOM 0 H ASP A 125 -6.312 7.862 -17.630 1.00 0.00 H new ATOM 0 HA ASP A 125 -5.043 5.529 -19.018 1.00 0.00 H new ATOM 0 HB2 ASP A 125 -6.737 5.772 -16.926 1.00 0.00 H new ATOM 0 HB3 ASP A 125 -7.928 5.829 -18.210 1.00 0.00 H new