USER MOD reduce.3.24.130724 H: found=0, std=0, add=406, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 404 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: B 1 PHE N :NH3+ 178:sc= 0.596 (180deg=0) USER MOD Set 1.2: B 4 GLN : amide:sc= 0.449 K(o=1,f=-0.26) USER MOD Set 2.1: A 15 GLN : amide:sc= 0.538 K(o=1.2,f=-1.4) USER MOD Set 2.2: A 18 ASN : amide:sc= 0.693 K(o=1.2,f=-0.57) USER MOD Set 3.1: A 8 THR OG1 : rot -73:sc= 0.00235 USER MOD Set 3.2: A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -148:sc= 1.22 (180deg=0.884) USER MOD Single : A 5 GLN : amide:sc= 0.789 K(o=0.79,f=-0.29) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : B 3 ASN : amide:sc= 0.639 K(o=0.64,f=0) USER MOD Single : B 5 HIS : no HD1:sc= 0 X(o=0,f=-0.084) USER MOD Single : B 9 SER OG : rot 88:sc= 1.34 USER MOD Single : B 10 HIS : no HD1:sc= -0.0256 X(o=-0.026,f=0) USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 26 TYR OH : rot 150:sc= -0.0106 USER MOD Single : B 27 THR OG1 : rot 180:sc= 0 USER MOD Single : B 29 LYS NZ :NH3+ 173:sc= 1.26 (180deg=1.18) USER MOD Single : B 30 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -7.405 -24.061 7.512 1.00 0.00 N ATOM 2 CA GLY A 1 -8.187 -23.672 6.316 1.00 0.00 C ATOM 3 C GLY A 1 -7.689 -22.368 5.709 1.00 0.00 C ATOM 4 O GLY A 1 -6.816 -21.707 6.273 1.00 0.00 O ATOM 0 H1 GLY A 1 -7.363 -25.098 7.577 1.00 0.00 H new ATOM 0 H2 GLY A 1 -6.440 -23.680 7.435 1.00 0.00 H new ATOM 0 H3 GLY A 1 -7.861 -23.679 8.365 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -8.128 -24.465 5.570 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -9.237 -23.568 6.588 1.00 0.00 H new ATOM 10 N ILE A 2 -8.232 -21.983 4.547 1.00 0.00 N ATOM 11 CA ILE A 2 -7.706 -20.878 3.717 1.00 0.00 C ATOM 12 C ILE A 2 -7.640 -19.531 4.447 1.00 0.00 C ATOM 13 O ILE A 2 -6.580 -18.914 4.468 1.00 0.00 O ATOM 14 CB ILE A 2 -8.434 -20.805 2.350 1.00 0.00 C ATOM 15 CG1 ILE A 2 -7.915 -19.671 1.430 1.00 0.00 C ATOM 16 CG2 ILE A 2 -9.973 -20.803 2.447 1.00 0.00 C ATOM 17 CD1 ILE A 2 -8.612 -18.303 1.522 1.00 0.00 C ATOM 0 H ILE A 2 -9.057 -22.431 4.148 1.00 0.00 H new ATOM 0 HA ILE A 2 -6.663 -21.116 3.509 1.00 0.00 H new ATOM 0 HB ILE A 2 -8.168 -21.746 1.869 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -6.856 -19.523 1.643 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -7.987 -20.016 0.399 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -10.401 -20.750 1.446 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -10.308 -21.717 2.937 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -10.300 -19.940 3.027 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -8.145 -17.609 0.823 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -9.667 -18.415 1.272 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -8.519 -17.915 2.536 1.00 0.00 H new ATOM 29 N VAL A 3 -8.716 -19.073 5.097 1.00 0.00 N ATOM 30 CA VAL A 3 -8.703 -17.739 5.736 1.00 0.00 C ATOM 31 C VAL A 3 -7.755 -17.702 6.942 1.00 0.00 C ATOM 32 O VAL A 3 -7.063 -16.708 7.127 1.00 0.00 O ATOM 33 CB VAL A 3 -10.117 -17.247 6.096 1.00 0.00 C ATOM 34 CG1 VAL A 3 -10.115 -15.839 6.703 1.00 0.00 C ATOM 35 CG2 VAL A 3 -11.038 -17.235 4.872 1.00 0.00 C ATOM 0 H VAL A 3 -9.591 -19.587 5.197 1.00 0.00 H new ATOM 0 HA VAL A 3 -8.314 -17.038 4.998 1.00 0.00 H new ATOM 0 HB VAL A 3 -10.488 -17.954 6.838 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -11.137 -15.543 6.938 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -9.518 -15.837 7.615 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -9.688 -15.135 5.988 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -12.027 -16.882 5.164 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -10.626 -16.570 4.113 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -11.118 -18.244 4.467 1.00 0.00 H new ATOM 45 N GLU A 4 -7.636 -18.793 7.710 1.00 0.00 N ATOM 46 CA GLU A 4 -6.648 -18.901 8.803 1.00 0.00 C ATOM 47 C GLU A 4 -5.209 -18.788 8.271 1.00 0.00 C ATOM 48 O GLU A 4 -4.398 -18.060 8.844 1.00 0.00 O ATOM 49 CB GLU A 4 -6.812 -20.232 9.559 1.00 0.00 C ATOM 50 CG GLU A 4 -8.099 -20.305 10.406 1.00 0.00 C ATOM 51 CD GLU A 4 -8.746 -21.706 10.486 1.00 0.00 C ATOM 52 OE1 GLU A 4 -9.542 -21.954 11.424 1.00 0.00 O ATOM 53 OE2 GLU A 4 -8.531 -22.560 9.593 1.00 0.00 O1- ATOM 0 H GLU A 4 -8.216 -19.624 7.596 1.00 0.00 H new ATOM 0 HA GLU A 4 -6.832 -18.074 9.488 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -6.813 -21.051 8.840 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -5.950 -20.380 10.209 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -7.871 -19.968 11.417 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -8.828 -19.607 9.994 1.00 0.00 H new ATOM 60 N GLN A 5 -4.914 -19.436 7.136 1.00 0.00 N ATOM 61 CA GLN A 5 -3.646 -19.281 6.415 1.00 0.00 C ATOM 62 C GLN A 5 -3.424 -17.823 5.968 1.00 0.00 C ATOM 63 O GLN A 5 -2.312 -17.322 6.110 1.00 0.00 O ATOM 64 CB GLN A 5 -3.606 -20.290 5.247 1.00 0.00 C ATOM 65 CG GLN A 5 -2.495 -20.075 4.204 1.00 0.00 C ATOM 66 CD GLN A 5 -1.074 -20.329 4.707 1.00 0.00 C ATOM 67 OE1 GLN A 5 -0.821 -21.053 5.661 1.00 0.00 O ATOM 68 NE2 GLN A 5 -0.082 -19.770 4.047 1.00 0.00 N ATOM 0 H GLN A 5 -5.557 -20.089 6.689 1.00 0.00 H new ATOM 0 HA GLN A 5 -2.813 -19.505 7.081 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -3.497 -21.292 5.663 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -4.568 -20.260 4.735 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -2.685 -20.730 3.354 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -2.556 -19.050 3.837 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -0.277 -19.164 3.250 1.00 0.00 H new ATOM 0 HE22 GLN A 5 0.882 -19.943 4.333 1.00 0.00 H new ATOM 77 N CYS A 6 -4.454 -17.116 5.484 1.00 0.00 N ATOM 78 CA CYS A 6 -4.323 -15.713 5.060 1.00 0.00 C ATOM 79 C CYS A 6 -4.166 -14.729 6.238 1.00 0.00 C ATOM 80 O CYS A 6 -3.523 -13.690 6.088 1.00 0.00 O ATOM 81 CB CYS A 6 -5.503 -15.295 4.171 1.00 0.00 C ATOM 82 SG CYS A 6 -5.933 -16.403 2.798 1.00 0.00 S ATOM 0 H CYS A 6 -5.395 -17.495 5.375 1.00 0.00 H new ATOM 0 HA CYS A 6 -3.400 -15.660 4.483 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -6.383 -15.184 4.805 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -5.283 -14.311 3.756 1.00 0.00 H new ATOM 87 N CYS A 7 -4.713 -15.043 7.419 1.00 0.00 N ATOM 88 CA CYS A 7 -4.518 -14.244 8.634 1.00 0.00 C ATOM 89 C CYS A 7 -3.051 -14.260 9.117 1.00 0.00 C ATOM 90 O CYS A 7 -2.557 -13.240 9.605 1.00 0.00 O ATOM 91 CB CYS A 7 -5.439 -14.766 9.750 1.00 0.00 C ATOM 92 SG CYS A 7 -7.232 -14.669 9.467 1.00 0.00 S ATOM 0 H CYS A 7 -5.305 -15.862 7.559 1.00 0.00 H new ATOM 0 HA CYS A 7 -4.770 -13.212 8.391 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -5.183 -15.809 9.938 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -5.211 -14.213 10.661 1.00 0.00 H new ATOM 97 N THR A 8 -2.348 -15.395 8.993 1.00 0.00 N ATOM 98 CA THR A 8 -0.963 -15.577 9.481 1.00 0.00 C ATOM 99 C THR A 8 0.118 -15.379 8.408 1.00 0.00 C ATOM 100 O THR A 8 1.212 -14.905 8.727 1.00 0.00 O ATOM 101 CB THR A 8 -0.784 -16.972 10.108 1.00 0.00 C ATOM 102 OG1 THR A 8 -1.065 -17.990 9.170 1.00 0.00 O ATOM 103 CG2 THR A 8 -1.689 -17.187 11.322 1.00 0.00 C ATOM 0 H THR A 8 -2.727 -16.229 8.544 1.00 0.00 H new ATOM 0 HA THR A 8 -0.824 -14.793 10.226 1.00 0.00 H new ATOM 0 HB THR A 8 0.257 -17.023 10.427 1.00 0.00 H new ATOM 0 HG1 THR A 8 -2.031 -18.033 9.013 1.00 0.00 H new ATOM 0 HG21 THR A 8 -1.524 -18.186 11.727 1.00 0.00 H new ATOM 0 HG22 THR A 8 -1.457 -16.444 12.085 1.00 0.00 H new ATOM 0 HG23 THR A 8 -2.732 -17.085 11.021 1.00 0.00 H new ATOM 111 N SER A 9 -0.177 -15.711 7.147 1.00 0.00 N ATOM 112 CA SER A 9 0.793 -15.904 6.054 1.00 0.00 C ATOM 113 C SER A 9 0.199 -15.548 4.676 1.00 0.00 C ATOM 114 O SER A 9 -0.940 -15.089 4.567 1.00 0.00 O ATOM 115 CB SER A 9 1.261 -17.371 6.067 1.00 0.00 C ATOM 116 OG SER A 9 2.045 -17.656 7.217 1.00 0.00 O ATOM 0 H SER A 9 -1.139 -15.860 6.843 1.00 0.00 H new ATOM 0 HA SER A 9 1.635 -15.231 6.217 1.00 0.00 H new ATOM 0 HB2 SER A 9 0.394 -18.031 6.043 1.00 0.00 H new ATOM 0 HB3 SER A 9 1.843 -17.577 5.168 1.00 0.00 H new ATOM 0 HG SER A 9 2.325 -18.595 7.197 1.00 0.00 H new ATOM 122 N ILE A 10 0.979 -15.725 3.602 1.00 0.00 N ATOM 123 CA ILE A 10 0.531 -15.496 2.216 1.00 0.00 C ATOM 124 C ILE A 10 -0.571 -16.475 1.756 1.00 0.00 C ATOM 125 O ILE A 10 -0.714 -17.583 2.280 1.00 0.00 O ATOM 126 CB ILE A 10 1.728 -15.455 1.229 1.00 0.00 C ATOM 127 CG1 ILE A 10 2.779 -16.586 1.342 1.00 0.00 C ATOM 128 CG2 ILE A 10 2.461 -14.112 1.387 1.00 0.00 C ATOM 129 CD1 ILE A 10 2.253 -18.005 1.107 1.00 0.00 C ATOM 0 H ILE A 10 1.949 -16.034 3.668 1.00 0.00 H new ATOM 0 HA ILE A 10 0.064 -14.511 2.208 1.00 0.00 H new ATOM 0 HB ILE A 10 1.266 -15.595 0.252 1.00 0.00 H new ATOM 0 HG12 ILE A 10 3.576 -16.390 0.625 1.00 0.00 H new ATOM 0 HG13 ILE A 10 3.227 -16.544 2.335 1.00 0.00 H new ATOM 0 HG21 ILE A 10 3.304 -14.074 0.697 1.00 0.00 H new ATOM 0 HG22 ILE A 10 1.775 -13.295 1.166 1.00 0.00 H new ATOM 0 HG23 ILE A 10 2.825 -14.014 2.410 1.00 0.00 H new ATOM 0 HD11 ILE A 10 3.071 -18.718 1.210 1.00 0.00 H new ATOM 0 HD12 ILE A 10 1.479 -18.232 1.840 1.00 0.00 H new ATOM 0 HD13 ILE A 10 1.834 -18.076 0.103 1.00 0.00 H new ATOM 141 N CYS A 11 -1.333 -16.058 0.742 1.00 0.00 N ATOM 142 CA CYS A 11 -2.406 -16.821 0.093 1.00 0.00 C ATOM 143 C CYS A 11 -2.388 -16.654 -1.434 1.00 0.00 C ATOM 144 O CYS A 11 -1.962 -15.618 -1.948 1.00 0.00 O ATOM 145 CB CYS A 11 -3.761 -16.390 0.671 1.00 0.00 C ATOM 146 SG CYS A 11 -4.193 -17.264 2.189 1.00 0.00 S ATOM 0 H CYS A 11 -1.214 -15.133 0.329 1.00 0.00 H new ATOM 0 HA CYS A 11 -2.243 -17.879 0.297 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -3.740 -15.318 0.869 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -4.538 -16.562 -0.074 1.00 0.00 H new ATOM 151 N SER A 12 -2.896 -17.661 -2.148 1.00 0.00 N ATOM 152 CA SER A 12 -2.922 -17.749 -3.618 1.00 0.00 C ATOM 153 C SER A 12 -4.191 -18.466 -4.095 1.00 0.00 C ATOM 154 O SER A 12 -4.852 -19.149 -3.310 1.00 0.00 O ATOM 155 CB SER A 12 -1.677 -18.494 -4.129 1.00 0.00 C ATOM 156 OG SER A 12 -0.484 -17.814 -3.768 1.00 0.00 O ATOM 0 H SER A 12 -3.320 -18.475 -1.702 1.00 0.00 H new ATOM 0 HA SER A 12 -2.922 -16.736 -4.021 1.00 0.00 H new ATOM 0 HB2 SER A 12 -1.661 -19.504 -3.719 1.00 0.00 H new ATOM 0 HB3 SER A 12 -1.729 -18.591 -5.213 1.00 0.00 H new ATOM 0 HG SER A 12 0.291 -18.311 -4.105 1.00 0.00 H new ATOM 162 N LEU A 13 -4.537 -18.357 -5.383 1.00 0.00 N ATOM 163 CA LEU A 13 -5.765 -18.954 -5.941 1.00 0.00 C ATOM 164 C LEU A 13 -5.782 -20.493 -5.844 1.00 0.00 C ATOM 165 O LEU A 13 -6.853 -21.090 -5.769 1.00 0.00 O ATOM 166 CB LEU A 13 -5.983 -18.483 -7.393 1.00 0.00 C ATOM 167 CG LEU A 13 -6.445 -17.015 -7.536 1.00 0.00 C ATOM 168 CD1 LEU A 13 -5.295 -16.004 -7.477 1.00 0.00 C ATOM 169 CD2 LEU A 13 -7.154 -16.823 -8.878 1.00 0.00 C ATOM 0 H LEU A 13 -3.977 -17.854 -6.071 1.00 0.00 H new ATOM 0 HA LEU A 13 -6.596 -18.602 -5.330 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -5.052 -18.612 -7.945 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -6.724 -19.130 -7.862 1.00 0.00 H new ATOM 0 HG LEU A 13 -7.108 -16.829 -6.691 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -5.692 -14.995 -7.584 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -4.782 -16.092 -6.520 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -4.592 -16.205 -8.286 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -7.478 -15.787 -8.974 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -6.468 -17.065 -9.690 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -8.022 -17.480 -8.928 1.00 0.00 H new ATOM 181 N TYR A 14 -4.615 -21.136 -5.737 1.00 0.00 N ATOM 182 CA TYR A 14 -4.485 -22.563 -5.415 1.00 0.00 C ATOM 183 C TYR A 14 -5.125 -22.930 -4.057 1.00 0.00 C ATOM 184 O TYR A 14 -5.759 -23.978 -3.939 1.00 0.00 O ATOM 185 CB TYR A 14 -2.988 -22.915 -5.456 1.00 0.00 C ATOM 186 CG TYR A 14 -2.598 -24.350 -5.129 1.00 0.00 C ATOM 187 CD1 TYR A 14 -1.429 -24.592 -4.378 1.00 0.00 C ATOM 188 CD2 TYR A 14 -3.351 -25.440 -5.615 1.00 0.00 C ATOM 189 CE1 TYR A 14 -1.018 -25.911 -4.104 1.00 0.00 C ATOM 190 CE2 TYR A 14 -2.946 -26.761 -5.337 1.00 0.00 C ATOM 191 CZ TYR A 14 -1.777 -27.002 -4.583 1.00 0.00 C ATOM 192 OH TYR A 14 -1.384 -28.281 -4.334 1.00 0.00 O ATOM 0 H TYR A 14 -3.717 -20.672 -5.874 1.00 0.00 H new ATOM 0 HA TYR A 14 -5.033 -23.151 -6.151 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -2.614 -22.683 -6.453 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -2.468 -22.257 -4.760 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -0.845 -23.761 -4.011 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -4.240 -25.261 -6.202 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -0.122 -26.088 -3.527 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -3.532 -27.592 -5.702 1.00 0.00 H new ATOM 0 HH TYR A 14 -2.024 -28.904 -4.737 1.00 0.00 H new ATOM 202 N GLN A 15 -5.041 -22.047 -3.051 1.00 0.00 N ATOM 203 CA GLN A 15 -5.729 -22.220 -1.762 1.00 0.00 C ATOM 204 C GLN A 15 -7.227 -21.882 -1.819 1.00 0.00 C ATOM 205 O GLN A 15 -7.983 -22.394 -0.994 1.00 0.00 O ATOM 206 CB GLN A 15 -5.031 -21.410 -0.653 1.00 0.00 C ATOM 207 CG GLN A 15 -3.637 -21.950 -0.284 1.00 0.00 C ATOM 208 CD GLN A 15 -3.645 -23.319 0.407 1.00 0.00 C ATOM 209 OE1 GLN A 15 -4.670 -23.935 0.680 1.00 0.00 O ATOM 210 NE2 GLN A 15 -2.487 -23.856 0.726 1.00 0.00 N ATOM 0 H GLN A 15 -4.492 -21.189 -3.108 1.00 0.00 H new ATOM 0 HA GLN A 15 -5.662 -23.282 -1.524 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -4.937 -20.373 -0.976 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -5.660 -21.411 0.237 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -3.037 -22.019 -1.191 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -3.144 -21.230 0.370 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -1.620 -23.364 0.510 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -2.456 -24.764 1.189 1.00 0.00 H new ATOM 219 N LEU A 16 -7.691 -21.094 -2.800 1.00 0.00 N ATOM 220 CA LEU A 16 -9.128 -21.003 -3.094 1.00 0.00 C ATOM 221 C LEU A 16 -9.629 -22.315 -3.707 1.00 0.00 C ATOM 222 O LEU A 16 -10.560 -22.907 -3.173 1.00 0.00 O ATOM 223 CB LEU A 16 -9.473 -19.798 -3.991 1.00 0.00 C ATOM 224 CG LEU A 16 -9.081 -18.417 -3.436 1.00 0.00 C ATOM 225 CD1 LEU A 16 -9.617 -17.334 -4.373 1.00 0.00 C ATOM 226 CD2 LEU A 16 -9.641 -18.155 -2.037 1.00 0.00 C ATOM 0 H LEU A 16 -7.099 -20.516 -3.397 1.00 0.00 H new ATOM 0 HA LEU A 16 -9.644 -20.838 -2.148 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -8.982 -19.934 -4.955 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -10.547 -19.803 -4.177 1.00 0.00 H new ATOM 0 HG LEU A 16 -7.993 -18.397 -3.370 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -9.344 -16.352 -3.988 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -9.187 -17.467 -5.366 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -10.703 -17.411 -4.434 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -9.330 -17.166 -1.700 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -10.730 -18.203 -2.066 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -9.263 -18.909 -1.347 1.00 0.00 H new ATOM 238 N GLU A 17 -8.981 -22.831 -4.755 1.00 0.00 N ATOM 239 CA GLU A 17 -9.334 -24.107 -5.413 1.00 0.00 C ATOM 240 C GLU A 17 -9.267 -25.336 -4.477 1.00 0.00 C ATOM 241 O GLU A 17 -9.908 -26.355 -4.740 1.00 0.00 O ATOM 242 CB GLU A 17 -8.411 -24.330 -6.625 1.00 0.00 C ATOM 243 CG GLU A 17 -8.685 -23.374 -7.799 1.00 0.00 C ATOM 244 CD GLU A 17 -10.058 -23.584 -8.472 1.00 0.00 C ATOM 245 OE1 GLU A 17 -10.651 -22.597 -8.964 1.00 0.00 O ATOM 246 OE2 GLU A 17 -10.556 -24.731 -8.560 1.00 0.00 O1- ATOM 0 H GLU A 17 -8.179 -22.369 -5.184 1.00 0.00 H new ATOM 0 HA GLU A 17 -10.375 -24.017 -5.724 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -7.375 -24.213 -6.307 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -8.524 -25.357 -6.971 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -8.621 -22.347 -7.440 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -7.902 -23.500 -8.547 1.00 0.00 H new ATOM 253 N ASN A 18 -8.542 -25.238 -3.357 1.00 0.00 N ATOM 254 CA ASN A 18 -8.506 -26.244 -2.289 1.00 0.00 C ATOM 255 C ASN A 18 -9.884 -26.448 -1.603 1.00 0.00 C ATOM 256 O ASN A 18 -10.151 -27.526 -1.068 1.00 0.00 O ATOM 257 CB ASN A 18 -7.412 -25.799 -1.295 1.00 0.00 C ATOM 258 CG ASN A 18 -6.913 -26.875 -0.340 1.00 0.00 C ATOM 259 OD1 ASN A 18 -7.232 -28.053 -0.427 1.00 0.00 O ATOM 260 ND2 ASN A 18 -6.059 -26.505 0.587 1.00 0.00 N ATOM 0 H ASN A 18 -7.947 -24.433 -3.163 1.00 0.00 H new ATOM 0 HA ASN A 18 -8.270 -27.223 -2.705 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -6.562 -25.421 -1.863 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -7.798 -24.967 -0.706 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -5.668 -27.197 1.226 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -5.787 -25.525 0.668 1.00 0.00 H new ATOM 267 N TYR A 19 -10.775 -25.443 -1.647 1.00 0.00 N ATOM 268 CA TYR A 19 -12.071 -25.430 -0.938 1.00 0.00 C ATOM 269 C TYR A 19 -13.263 -24.976 -1.809 1.00 0.00 C ATOM 270 O TYR A 19 -14.364 -25.522 -1.688 1.00 0.00 O ATOM 271 CB TYR A 19 -11.916 -24.563 0.321 1.00 0.00 C ATOM 272 CG TYR A 19 -10.800 -25.016 1.250 1.00 0.00 C ATOM 273 CD1 TYR A 19 -10.886 -26.259 1.909 1.00 0.00 C ATOM 274 CD2 TYR A 19 -9.649 -24.222 1.407 1.00 0.00 C ATOM 275 CE1 TYR A 19 -9.828 -26.702 2.727 1.00 0.00 C ATOM 276 CE2 TYR A 19 -8.597 -24.652 2.240 1.00 0.00 C ATOM 277 CZ TYR A 19 -8.687 -25.890 2.908 1.00 0.00 C ATOM 278 OH TYR A 19 -7.682 -26.281 3.739 1.00 0.00 O ATOM 0 H TYR A 19 -10.612 -24.595 -2.190 1.00 0.00 H new ATOM 0 HA TYR A 19 -12.320 -26.456 -0.667 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -11.728 -23.533 0.019 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -12.857 -24.567 0.871 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -11.766 -26.874 1.786 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -9.572 -23.279 0.887 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -9.890 -27.663 3.216 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -7.721 -24.033 2.367 1.00 0.00 H new ATOM 0 HH TYR A 19 -6.976 -25.601 3.742 1.00 0.00 H new ATOM 288 N CYS A 20 -13.034 -24.050 -2.744 1.00 0.00 N ATOM 289 CA CYS A 20 -13.836 -23.830 -3.950 1.00 0.00 C ATOM 290 C CYS A 20 -13.601 -24.997 -4.938 1.00 0.00 C ATOM 291 O CYS A 20 -12.878 -24.860 -5.926 1.00 0.00 O ATOM 292 CB CYS A 20 -13.480 -22.454 -4.549 1.00 0.00 C ATOM 293 SG CYS A 20 -14.431 -21.994 -6.025 1.00 0.00 S ATOM 0 H CYS A 20 -12.248 -23.403 -2.677 1.00 0.00 H new ATOM 0 HA CYS A 20 -14.901 -23.816 -3.717 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -13.631 -21.691 -3.785 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -12.420 -22.447 -4.801 1.00 0.00 H new ATOM 298 N GLY A 21 -14.147 -26.176 -4.610 1.00 0.00 N ATOM 299 CA GLY A 21 -14.002 -27.427 -5.376 1.00 0.00 C ATOM 300 C GLY A 21 -14.894 -27.483 -6.615 1.00 0.00 C ATOM 301 O GLY A 21 -14.356 -27.408 -7.741 1.00 0.00 O ATOM 302 OXT GLY A 21 -16.125 -27.616 -6.442 1.00 0.00 O1- ATOM 0 H GLY A 21 -14.722 -26.292 -3.776 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -12.961 -27.540 -5.680 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -14.238 -28.271 -4.728 1.00 0.00 H new TER 306 GLY A 21 ATOM 307 N PHE B 1 -7.444 -9.685 -3.694 1.00 0.00 N ATOM 308 CA PHE B 1 -7.246 -11.019 -3.067 1.00 0.00 C ATOM 309 C PHE B 1 -5.770 -11.419 -2.918 1.00 0.00 C ATOM 310 O PHE B 1 -5.314 -11.593 -1.791 1.00 0.00 O ATOM 311 CB PHE B 1 -8.055 -12.139 -3.758 1.00 0.00 C ATOM 312 CG PHE B 1 -7.649 -13.535 -3.304 1.00 0.00 C ATOM 313 CD1 PHE B 1 -7.045 -14.429 -4.210 1.00 0.00 C ATOM 314 CD2 PHE B 1 -7.770 -13.898 -1.948 1.00 0.00 C ATOM 315 CE1 PHE B 1 -6.554 -15.665 -3.756 1.00 0.00 C ATOM 316 CE2 PHE B 1 -7.277 -15.136 -1.496 1.00 0.00 C ATOM 317 CZ PHE B 1 -6.663 -16.019 -2.400 1.00 0.00 C ATOM 0 H1 PHE B 1 -8.462 -9.496 -3.794 1.00 0.00 H new ATOM 0 H2 PHE B 1 -7.013 -8.952 -3.095 1.00 0.00 H new ATOM 0 H3 PHE B 1 -6.996 -9.673 -4.633 1.00 0.00 H new ATOM 0 HA PHE B 1 -7.643 -10.904 -2.058 1.00 0.00 H new ATOM 0 HB2 PHE B 1 -9.116 -11.991 -3.555 1.00 0.00 H new ATOM 0 HB3 PHE B 1 -7.923 -12.062 -4.837 1.00 0.00 H new ATOM 0 HD1 PHE B 1 -6.959 -14.164 -5.254 1.00 0.00 H new ATOM 0 HD2 PHE B 1 -8.244 -13.222 -1.252 1.00 0.00 H new ATOM 0 HE1 PHE B 1 -6.090 -16.347 -4.453 1.00 0.00 H new ATOM 0 HE2 PHE B 1 -7.371 -15.407 -0.455 1.00 0.00 H new ATOM 0 HZ PHE B 1 -6.276 -16.966 -2.054 1.00 0.00 H new ATOM 329 N VAL B 2 -5.033 -11.651 -4.015 1.00 0.00 N ATOM 330 CA VAL B 2 -3.784 -12.447 -3.992 1.00 0.00 C ATOM 331 C VAL B 2 -2.698 -11.901 -3.043 1.00 0.00 C ATOM 332 O VAL B 2 -2.451 -10.697 -2.968 1.00 0.00 O ATOM 333 CB VAL B 2 -3.270 -12.686 -5.429 1.00 0.00 C ATOM 334 CG1 VAL B 2 -2.751 -11.417 -6.116 1.00 0.00 C ATOM 335 CG2 VAL B 2 -2.168 -13.748 -5.479 1.00 0.00 C ATOM 0 H VAL B 2 -5.279 -11.297 -4.940 1.00 0.00 H new ATOM 0 HA VAL B 2 -4.038 -13.414 -3.558 1.00 0.00 H new ATOM 0 HB VAL B 2 -4.148 -13.035 -5.973 1.00 0.00 H new ATOM 0 HG11 VAL B 2 -2.407 -11.662 -7.121 1.00 0.00 H new ATOM 0 HG12 VAL B 2 -3.553 -10.682 -6.176 1.00 0.00 H new ATOM 0 HG13 VAL B 2 -1.923 -11.004 -5.540 1.00 0.00 H new ATOM 0 HG21 VAL B 2 -1.838 -13.882 -6.509 1.00 0.00 H new ATOM 0 HG22 VAL B 2 -1.325 -13.427 -4.867 1.00 0.00 H new ATOM 0 HG23 VAL B 2 -2.555 -14.692 -5.096 1.00 0.00 H new ATOM 345 N ASN B 3 -2.062 -12.814 -2.301 1.00 0.00 N ATOM 346 CA ASN B 3 -0.971 -12.636 -1.323 1.00 0.00 C ATOM 347 C ASN B 3 -1.241 -11.724 -0.100 1.00 0.00 C ATOM 348 O ASN B 3 -0.537 -11.866 0.901 1.00 0.00 O ATOM 349 CB ASN B 3 0.341 -12.266 -2.050 1.00 0.00 C ATOM 350 CG ASN B 3 0.919 -13.293 -3.024 1.00 0.00 C ATOM 351 OD1 ASN B 3 1.845 -12.991 -3.764 1.00 0.00 O ATOM 352 ND2 ASN B 3 0.450 -14.521 -3.081 1.00 0.00 N ATOM 0 H ASN B 3 -2.321 -13.798 -2.374 1.00 0.00 H new ATOM 0 HA ASN B 3 -0.882 -13.613 -0.848 1.00 0.00 H new ATOM 0 HB2 ASN B 3 0.172 -11.339 -2.598 1.00 0.00 H new ATOM 0 HB3 ASN B 3 1.097 -12.056 -1.294 1.00 0.00 H new ATOM 0 HD21 ASN B 3 0.858 -15.193 -3.731 1.00 0.00 H new ATOM 0 HD22 ASN B 3 -0.322 -14.801 -2.476 1.00 0.00 H new ATOM 359 N GLN B 4 -2.230 -10.826 -0.128 1.00 0.00 N ATOM 360 CA GLN B 4 -2.515 -9.894 0.976 1.00 0.00 C ATOM 361 C GLN B 4 -3.249 -10.566 2.156 1.00 0.00 C ATOM 362 O GLN B 4 -4.046 -11.491 1.979 1.00 0.00 O ATOM 363 CB GLN B 4 -3.238 -8.638 0.450 1.00 0.00 C ATOM 364 CG GLN B 4 -4.692 -8.868 -0.018 1.00 0.00 C ATOM 365 CD GLN B 4 -5.031 -8.349 -1.421 1.00 0.00 C ATOM 366 OE1 GLN B 4 -6.136 -7.893 -1.683 1.00 0.00 O ATOM 367 NE2 GLN B 4 -4.160 -8.419 -2.407 1.00 0.00 N ATOM 0 H GLN B 4 -2.862 -10.722 -0.922 1.00 0.00 H new ATOM 0 HA GLN B 4 -1.560 -9.572 1.391 1.00 0.00 H new ATOM 0 HB2 GLN B 4 -3.241 -7.883 1.236 1.00 0.00 H new ATOM 0 HB3 GLN B 4 -2.665 -8.229 -0.382 1.00 0.00 H new ATOM 0 HG2 GLN B 4 -4.899 -9.938 0.013 1.00 0.00 H new ATOM 0 HG3 GLN B 4 -5.363 -8.393 0.697 1.00 0.00 H new ATOM 0 HE21 GLN B 4 -3.226 -8.792 -2.237 1.00 0.00 H new ATOM 0 HE22 GLN B 4 -4.420 -8.100 -3.340 1.00 0.00 H new ATOM 376 N HIS B 5 -2.988 -10.088 3.375 1.00 0.00 N ATOM 377 CA HIS B 5 -3.394 -10.722 4.641 1.00 0.00 C ATOM 378 C HIS B 5 -4.833 -10.396 5.094 1.00 0.00 C ATOM 379 O HIS B 5 -5.081 -10.131 6.274 1.00 0.00 O ATOM 380 CB HIS B 5 -2.343 -10.420 5.726 1.00 0.00 C ATOM 381 CG HIS B 5 -0.931 -10.776 5.321 1.00 0.00 C ATOM 382 ND1 HIS B 5 -0.073 -9.969 4.566 1.00 0.00 N ATOM 383 CD2 HIS B 5 -0.307 -11.961 5.582 1.00 0.00 C ATOM 384 CE1 HIS B 5 1.050 -10.688 4.394 1.00 0.00 C ATOM 385 NE2 HIS B 5 0.938 -11.884 4.997 1.00 0.00 N ATOM 0 H HIS B 5 -2.471 -9.220 3.518 1.00 0.00 H new ATOM 0 HA HIS B 5 -3.427 -11.797 4.463 1.00 0.00 H new ATOM 0 HB2 HIS B 5 -2.384 -9.359 5.973 1.00 0.00 H new ATOM 0 HB3 HIS B 5 -2.601 -10.969 6.632 1.00 0.00 H new ATOM 0 HD2 HIS B 5 -0.710 -12.795 6.138 1.00 0.00 H new ATOM 0 HE1 HIS B 5 1.919 -10.352 3.848 1.00 0.00 H new ATOM 0 HE2 HIS B 5 1.653 -12.611 5.018 1.00 0.00 H new ATOM 393 N LEU B 6 -5.795 -10.387 4.163 1.00 0.00 N ATOM 394 CA LEU B 6 -7.222 -10.205 4.472 1.00 0.00 C ATOM 395 C LEU B 6 -7.717 -11.392 5.330 1.00 0.00 C ATOM 396 O LEU B 6 -7.383 -12.547 5.057 1.00 0.00 O ATOM 397 CB LEU B 6 -8.014 -10.020 3.154 1.00 0.00 C ATOM 398 CG LEU B 6 -9.242 -9.081 3.174 1.00 0.00 C ATOM 399 CD1 LEU B 6 -10.381 -9.541 4.083 1.00 0.00 C ATOM 400 CD2 LEU B 6 -8.881 -7.643 3.557 1.00 0.00 C ATOM 0 H LEU B 6 -5.606 -10.506 3.168 1.00 0.00 H new ATOM 0 HA LEU B 6 -7.383 -9.303 5.063 1.00 0.00 H new ATOM 0 HB2 LEU B 6 -7.322 -9.650 2.397 1.00 0.00 H new ATOM 0 HB3 LEU B 6 -8.350 -11.003 2.825 1.00 0.00 H new ATOM 0 HG LEU B 6 -9.595 -9.119 2.143 1.00 0.00 H new ATOM 0 HD11 LEU B 6 -11.199 -8.822 4.034 1.00 0.00 H new ATOM 0 HD12 LEU B 6 -10.736 -10.518 3.755 1.00 0.00 H new ATOM 0 HD13 LEU B 6 -10.021 -9.612 5.110 1.00 0.00 H new ATOM 0 HD21 LEU B 6 -9.782 -7.029 3.555 1.00 0.00 H new ATOM 0 HD22 LEU B 6 -8.437 -7.632 4.552 1.00 0.00 H new ATOM 0 HD23 LEU B 6 -8.167 -7.243 2.837 1.00 0.00 H new ATOM 412 N CYS B 7 -8.471 -11.104 6.393 1.00 0.00 N ATOM 413 CA CYS B 7 -8.758 -12.037 7.488 1.00 0.00 C ATOM 414 C CYS B 7 -10.211 -11.907 7.997 1.00 0.00 C ATOM 415 O CYS B 7 -10.831 -10.845 7.881 1.00 0.00 O ATOM 416 CB CYS B 7 -7.704 -11.784 8.580 1.00 0.00 C ATOM 417 SG CYS B 7 -7.797 -12.809 10.072 1.00 0.00 S ATOM 0 H CYS B 7 -8.911 -10.193 6.521 1.00 0.00 H new ATOM 0 HA CYS B 7 -8.688 -13.070 7.146 1.00 0.00 H new ATOM 0 HB2 CYS B 7 -6.718 -11.921 8.136 1.00 0.00 H new ATOM 0 HB3 CYS B 7 -7.775 -10.739 8.883 1.00 0.00 H new ATOM 422 N GLY B 8 -10.758 -12.991 8.561 1.00 0.00 N ATOM 423 CA GLY B 8 -12.165 -13.104 8.977 1.00 0.00 C ATOM 424 C GLY B 8 -13.147 -13.322 7.814 1.00 0.00 C ATOM 425 O GLY B 8 -12.747 -13.398 6.648 1.00 0.00 O ATOM 0 H GLY B 8 -10.221 -13.838 8.746 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -12.260 -13.932 9.679 1.00 0.00 H new ATOM 0 HA3 GLY B 8 -12.448 -12.198 9.513 1.00 0.00 H new ATOM 429 N SER B 9 -14.446 -13.425 8.119 1.00 0.00 N ATOM 430 CA SER B 9 -15.486 -13.804 7.138 1.00 0.00 C ATOM 431 C SER B 9 -15.654 -12.859 5.944 1.00 0.00 C ATOM 432 O SER B 9 -16.242 -13.265 4.945 1.00 0.00 O ATOM 433 CB SER B 9 -16.848 -14.029 7.806 1.00 0.00 C ATOM 434 OG SER B 9 -17.443 -12.812 8.235 1.00 0.00 O ATOM 0 H SER B 9 -14.813 -13.249 9.054 1.00 0.00 H new ATOM 0 HA SER B 9 -15.107 -14.739 6.727 1.00 0.00 H new ATOM 0 HB2 SER B 9 -17.516 -14.531 7.106 1.00 0.00 H new ATOM 0 HB3 SER B 9 -16.726 -14.693 8.662 1.00 0.00 H new ATOM 0 HG SER B 9 -17.973 -12.431 7.504 1.00 0.00 H new ATOM 440 N HIS B 10 -15.085 -11.648 5.953 1.00 0.00 N ATOM 441 CA HIS B 10 -15.014 -10.825 4.737 1.00 0.00 C ATOM 442 C HIS B 10 -14.256 -11.522 3.597 1.00 0.00 C ATOM 443 O HIS B 10 -14.614 -11.312 2.439 1.00 0.00 O ATOM 444 CB HIS B 10 -14.418 -9.443 5.043 1.00 0.00 C ATOM 445 CG HIS B 10 -15.350 -8.488 5.760 1.00 0.00 C ATOM 446 ND1 HIS B 10 -15.078 -7.135 5.988 1.00 0.00 N ATOM 447 CD2 HIS B 10 -16.604 -8.762 6.231 1.00 0.00 C ATOM 448 CE1 HIS B 10 -16.174 -6.627 6.581 1.00 0.00 C ATOM 449 NE2 HIS B 10 -17.103 -7.584 6.741 1.00 0.00 N ATOM 0 H HIS B 10 -14.670 -11.218 6.780 1.00 0.00 H new ATOM 0 HA HIS B 10 -16.037 -10.685 4.388 1.00 0.00 H new ATOM 0 HB2 HIS B 10 -13.522 -9.577 5.649 1.00 0.00 H new ATOM 0 HB3 HIS B 10 -14.103 -8.984 4.106 1.00 0.00 H new ATOM 0 HD2 HIS B 10 -17.106 -9.718 6.208 1.00 0.00 H new ATOM 0 HE1 HIS B 10 -16.290 -5.597 6.885 1.00 0.00 H new ATOM 0 HE2 HIS B 10 -18.021 -7.459 7.167 1.00 0.00 H new ATOM 457 N LEU B 11 -13.290 -12.407 3.887 1.00 0.00 N ATOM 458 CA LEU B 11 -12.666 -13.244 2.855 1.00 0.00 C ATOM 459 C LEU B 11 -13.556 -14.426 2.416 1.00 0.00 C ATOM 460 O LEU B 11 -13.486 -14.814 1.256 1.00 0.00 O ATOM 461 CB LEU B 11 -11.253 -13.667 3.298 1.00 0.00 C ATOM 462 CG LEU B 11 -10.432 -14.410 2.220 1.00 0.00 C ATOM 463 CD1 LEU B 11 -10.360 -13.684 0.872 1.00 0.00 C ATOM 464 CD2 LEU B 11 -8.986 -14.565 2.690 1.00 0.00 C ATOM 0 H LEU B 11 -12.925 -12.560 4.827 1.00 0.00 H new ATOM 0 HA LEU B 11 -12.558 -12.643 1.952 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -10.702 -12.778 3.606 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -11.339 -14.308 4.175 1.00 0.00 H new ATOM 0 HG LEU B 11 -10.947 -15.361 2.080 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -9.766 -14.273 0.173 1.00 0.00 H new ATOM 0 HD12 LEU B 11 -11.366 -13.555 0.474 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -9.896 -12.707 1.009 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -8.410 -15.089 1.928 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -8.551 -13.580 2.860 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -8.964 -15.136 3.618 1.00 0.00 H new ATOM 476 N VAL B 12 -14.452 -14.947 3.268 1.00 0.00 N ATOM 477 CA VAL B 12 -15.514 -15.896 2.847 1.00 0.00 C ATOM 478 C VAL B 12 -16.488 -15.205 1.890 1.00 0.00 C ATOM 479 O VAL B 12 -16.767 -15.696 0.798 1.00 0.00 O ATOM 480 CB VAL B 12 -16.297 -16.475 4.050 1.00 0.00 C ATOM 481 CG1 VAL B 12 -17.476 -17.363 3.625 1.00 0.00 C ATOM 482 CG2 VAL B 12 -15.396 -17.303 4.964 1.00 0.00 C ATOM 0 H VAL B 12 -14.468 -14.729 4.264 1.00 0.00 H new ATOM 0 HA VAL B 12 -15.019 -16.726 2.343 1.00 0.00 H new ATOM 0 HB VAL B 12 -16.680 -15.604 4.582 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -17.986 -17.739 4.512 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -18.174 -16.779 3.025 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -17.106 -18.202 3.036 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -15.982 -17.692 5.797 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -14.970 -18.133 4.400 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -14.592 -16.675 5.348 1.00 0.00 H new ATOM 492 N GLU B 13 -16.982 -14.032 2.282 1.00 0.00 N ATOM 493 CA GLU B 13 -17.955 -13.242 1.524 1.00 0.00 C ATOM 494 C GLU B 13 -17.374 -12.754 0.182 1.00 0.00 C ATOM 495 O GLU B 13 -18.068 -12.781 -0.836 1.00 0.00 O ATOM 496 CB GLU B 13 -18.433 -12.069 2.399 1.00 0.00 C ATOM 497 CG GLU B 13 -19.220 -12.532 3.644 1.00 0.00 C ATOM 498 CD GLU B 13 -19.247 -11.463 4.757 1.00 0.00 C ATOM 499 OE1 GLU B 13 -19.552 -10.281 4.463 1.00 0.00 O ATOM 500 OE2 GLU B 13 -18.995 -11.802 5.941 1.00 0.00 O1- ATOM 0 H GLU B 13 -16.710 -13.591 3.160 1.00 0.00 H new ATOM 0 HA GLU B 13 -18.808 -13.872 1.272 1.00 0.00 H new ATOM 0 HB2 GLU B 13 -17.570 -11.484 2.717 1.00 0.00 H new ATOM 0 HB3 GLU B 13 -19.062 -11.409 1.802 1.00 0.00 H new ATOM 0 HG2 GLU B 13 -20.242 -12.776 3.354 1.00 0.00 H new ATOM 0 HG3 GLU B 13 -18.772 -13.446 4.034 1.00 0.00 H new ATOM 507 N ALA B 14 -16.086 -12.387 0.148 1.00 0.00 N ATOM 508 CA ALA B 14 -15.360 -12.077 -1.084 1.00 0.00 C ATOM 509 C ALA B 14 -15.051 -13.321 -1.940 1.00 0.00 C ATOM 510 O ALA B 14 -15.089 -13.229 -3.162 1.00 0.00 O ATOM 511 CB ALA B 14 -14.077 -11.319 -0.727 1.00 0.00 C ATOM 0 H ALA B 14 -15.514 -12.297 0.988 1.00 0.00 H new ATOM 0 HA ALA B 14 -16.005 -11.453 -1.703 1.00 0.00 H new ATOM 0 HB1 ALA B 14 -13.528 -11.083 -1.639 1.00 0.00 H new ATOM 0 HB2 ALA B 14 -14.333 -10.395 -0.208 1.00 0.00 H new ATOM 0 HB3 ALA B 14 -13.456 -11.939 -0.080 1.00 0.00 H new ATOM 517 N LEU B 15 -14.795 -14.495 -1.352 1.00 0.00 N ATOM 518 CA LEU B 15 -14.560 -15.760 -2.073 1.00 0.00 C ATOM 519 C LEU B 15 -15.781 -16.173 -2.925 1.00 0.00 C ATOM 520 O LEU B 15 -15.613 -16.576 -4.080 1.00 0.00 O ATOM 521 CB LEU B 15 -14.055 -16.784 -1.026 1.00 0.00 C ATOM 522 CG LEU B 15 -13.997 -18.296 -1.299 1.00 0.00 C ATOM 523 CD1 LEU B 15 -15.319 -18.977 -0.954 1.00 0.00 C ATOM 524 CD2 LEU B 15 -13.560 -18.680 -2.709 1.00 0.00 C ATOM 0 H LEU B 15 -14.743 -14.599 -0.339 1.00 0.00 H new ATOM 0 HA LEU B 15 -13.785 -15.672 -2.835 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -13.044 -16.479 -0.756 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -14.675 -16.652 -0.139 1.00 0.00 H new ATOM 0 HG LEU B 15 -13.212 -18.659 -0.636 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -15.243 -20.045 -1.159 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -15.542 -18.825 0.102 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -16.118 -18.548 -1.558 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -13.550 -19.766 -2.804 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -14.257 -18.259 -3.433 1.00 0.00 H new ATOM 0 HD23 LEU B 15 -12.560 -18.290 -2.899 1.00 0.00 H new ATOM 536 N TYR B 16 -17.007 -15.928 -2.448 1.00 0.00 N ATOM 537 CA TYR B 16 -18.244 -16.051 -3.246 1.00 0.00 C ATOM 538 C TYR B 16 -18.382 -15.043 -4.410 1.00 0.00 C ATOM 539 O TYR B 16 -19.290 -15.192 -5.230 1.00 0.00 O ATOM 540 CB TYR B 16 -19.471 -16.029 -2.319 1.00 0.00 C ATOM 541 CG TYR B 16 -19.648 -17.305 -1.511 1.00 0.00 C ATOM 542 CD1 TYR B 16 -20.056 -18.488 -2.160 1.00 0.00 C ATOM 543 CD2 TYR B 16 -19.414 -17.318 -0.122 1.00 0.00 C ATOM 544 CE1 TYR B 16 -20.205 -19.684 -1.432 1.00 0.00 C ATOM 545 CE2 TYR B 16 -19.554 -18.514 0.609 1.00 0.00 C ATOM 546 CZ TYR B 16 -19.943 -19.703 -0.045 1.00 0.00 C ATOM 547 OH TYR B 16 -20.071 -20.855 0.669 1.00 0.00 O ATOM 0 H TYR B 16 -17.176 -15.635 -1.486 1.00 0.00 H new ATOM 0 HA TYR B 16 -18.180 -17.016 -3.748 1.00 0.00 H new ATOM 0 HB2 TYR B 16 -19.384 -15.185 -1.635 1.00 0.00 H new ATOM 0 HB3 TYR B 16 -20.366 -15.862 -2.919 1.00 0.00 H new ATOM 0 HD1 TYR B 16 -20.255 -18.477 -3.221 1.00 0.00 H new ATOM 0 HD2 TYR B 16 -19.126 -16.408 0.384 1.00 0.00 H new ATOM 0 HE1 TYR B 16 -20.520 -20.587 -1.935 1.00 0.00 H new ATOM 0 HE2 TYR B 16 -19.363 -18.521 1.672 1.00 0.00 H new ATOM 0 HH TYR B 16 -19.850 -20.684 1.608 1.00 0.00 H new ATOM 557 N LEU B 17 -17.477 -14.064 -4.541 1.00 0.00 N ATOM 558 CA LEU B 17 -17.352 -13.175 -5.708 1.00 0.00 C ATOM 559 C LEU B 17 -16.099 -13.493 -6.554 1.00 0.00 C ATOM 560 O LEU B 17 -16.166 -13.483 -7.784 1.00 0.00 O ATOM 561 CB LEU B 17 -17.342 -11.705 -5.237 1.00 0.00 C ATOM 562 CG LEU B 17 -18.547 -11.273 -4.377 1.00 0.00 C ATOM 563 CD1 LEU B 17 -18.360 -9.827 -3.916 1.00 0.00 C ATOM 564 CD2 LEU B 17 -19.871 -11.363 -5.139 1.00 0.00 C ATOM 0 H LEU B 17 -16.789 -13.861 -3.816 1.00 0.00 H new ATOM 0 HA LEU B 17 -18.213 -13.343 -6.355 1.00 0.00 H new ATOM 0 HB2 LEU B 17 -16.430 -11.531 -4.666 1.00 0.00 H new ATOM 0 HB3 LEU B 17 -17.296 -11.061 -6.115 1.00 0.00 H new ATOM 0 HG LEU B 17 -18.590 -11.956 -3.528 1.00 0.00 H new ATOM 0 HD11 LEU B 17 -19.213 -9.525 -3.309 1.00 0.00 H new ATOM 0 HD12 LEU B 17 -17.448 -9.749 -3.324 1.00 0.00 H new ATOM 0 HD13 LEU B 17 -18.285 -9.175 -4.786 1.00 0.00 H new ATOM 0 HD21 LEU B 17 -20.687 -11.048 -4.489 1.00 0.00 H new ATOM 0 HD22 LEU B 17 -19.832 -10.713 -6.013 1.00 0.00 H new ATOM 0 HD23 LEU B 17 -20.038 -12.392 -5.458 1.00 0.00 H new ATOM 576 N VAL B 18 -14.966 -13.791 -5.906 1.00 0.00 N ATOM 577 CA VAL B 18 -13.653 -14.040 -6.530 1.00 0.00 C ATOM 578 C VAL B 18 -13.592 -15.401 -7.232 1.00 0.00 C ATOM 579 O VAL B 18 -13.199 -15.458 -8.399 1.00 0.00 O ATOM 580 CB VAL B 18 -12.521 -13.885 -5.489 1.00 0.00 C ATOM 581 CG1 VAL B 18 -11.144 -14.326 -6.007 1.00 0.00 C ATOM 582 CG2 VAL B 18 -12.384 -12.419 -5.053 1.00 0.00 C ATOM 0 H VAL B 18 -14.934 -13.869 -4.890 1.00 0.00 H new ATOM 0 HA VAL B 18 -13.510 -13.288 -7.306 1.00 0.00 H new ATOM 0 HB VAL B 18 -12.810 -14.532 -4.660 1.00 0.00 H new ATOM 0 HG11 VAL B 18 -10.399 -14.189 -5.223 1.00 0.00 H new ATOM 0 HG12 VAL B 18 -11.182 -15.377 -6.292 1.00 0.00 H new ATOM 0 HG13 VAL B 18 -10.872 -13.725 -6.875 1.00 0.00 H new ATOM 0 HG21 VAL B 18 -11.582 -12.331 -4.320 1.00 0.00 H new ATOM 0 HG22 VAL B 18 -12.152 -11.801 -5.921 1.00 0.00 H new ATOM 0 HG23 VAL B 18 -13.321 -12.083 -4.608 1.00 0.00 H new ATOM 592 N CYS B 19 -14.002 -16.491 -6.566 1.00 0.00 N ATOM 593 CA CYS B 19 -14.141 -17.799 -7.222 1.00 0.00 C ATOM 594 C CYS B 19 -15.478 -17.880 -7.991 1.00 0.00 C ATOM 595 O CYS B 19 -15.515 -18.311 -9.142 1.00 0.00 O ATOM 596 CB CYS B 19 -13.963 -18.931 -6.197 1.00 0.00 C ATOM 597 SG CYS B 19 -13.395 -20.490 -6.935 1.00 0.00 S ATOM 0 H CYS B 19 -14.243 -16.492 -5.575 1.00 0.00 H new ATOM 0 HA CYS B 19 -13.351 -17.921 -7.963 1.00 0.00 H new ATOM 0 HB2 CYS B 19 -13.247 -18.615 -5.438 1.00 0.00 H new ATOM 0 HB3 CYS B 19 -14.912 -19.103 -5.688 1.00 0.00 H new ATOM 602 N GLY B 20 -16.558 -17.364 -7.390 1.00 0.00 N ATOM 603 CA GLY B 20 -17.826 -17.001 -8.043 1.00 0.00 C ATOM 604 C GLY B 20 -18.762 -18.138 -8.492 1.00 0.00 C ATOM 605 O GLY B 20 -19.935 -18.150 -8.119 1.00 0.00 O ATOM 0 H GLY B 20 -16.574 -17.179 -6.387 1.00 0.00 H new ATOM 0 HA2 GLY B 20 -18.383 -16.362 -7.358 1.00 0.00 H new ATOM 0 HA3 GLY B 20 -17.589 -16.398 -8.920 1.00 0.00 H new ATOM 609 N GLU B 21 -18.289 -19.055 -9.338 1.00 0.00 N ATOM 610 CA GLU B 21 -19.148 -19.857 -10.234 1.00 0.00 C ATOM 611 C GLU B 21 -19.886 -21.048 -9.582 1.00 0.00 C ATOM 612 O GLU B 21 -21.117 -21.126 -9.641 1.00 0.00 O ATOM 613 CB GLU B 21 -18.401 -20.312 -11.517 1.00 0.00 C ATOM 614 CG GLU B 21 -16.887 -20.051 -11.647 1.00 0.00 C ATOM 615 CD GLU B 21 -15.996 -20.936 -10.748 1.00 0.00 C ATOM 616 OE1 GLU B 21 -14.788 -21.090 -11.047 1.00 0.00 O ATOM 617 OE2 GLU B 21 -16.485 -21.524 -9.757 1.00 0.00 O1- ATOM 0 H GLU B 21 -17.296 -19.269 -9.427 1.00 0.00 H new ATOM 0 HA GLU B 21 -19.936 -19.155 -10.506 1.00 0.00 H new ATOM 0 HB2 GLU B 21 -18.558 -21.385 -11.623 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -18.889 -19.834 -12.366 1.00 0.00 H new ATOM 0 HG2 GLU B 21 -16.595 -20.203 -12.686 1.00 0.00 H new ATOM 0 HG3 GLU B 21 -16.692 -19.005 -11.411 1.00 0.00 H new ATOM 624 N ARG B 22 -19.142 -22.007 -9.018 1.00 0.00 N ATOM 625 CA ARG B 22 -19.612 -23.378 -8.723 1.00 0.00 C ATOM 626 C ARG B 22 -20.679 -23.507 -7.626 1.00 0.00 C ATOM 627 O ARG B 22 -21.570 -24.349 -7.756 1.00 0.00 O ATOM 628 CB ARG B 22 -18.381 -24.240 -8.375 1.00 0.00 C ATOM 629 CG ARG B 22 -17.673 -24.770 -9.634 1.00 0.00 C ATOM 630 CD ARG B 22 -16.228 -25.192 -9.335 1.00 0.00 C ATOM 631 NE ARG B 22 -15.324 -24.032 -9.367 1.00 0.00 N ATOM 632 CZ ARG B 22 -14.012 -24.022 -9.241 1.00 0.00 C ATOM 633 NH1 ARG B 22 -13.317 -25.065 -8.898 1.00 0.00 N1+ ATOM 634 NH2 ARG B 22 -13.368 -22.927 -9.490 1.00 0.00 N ATOM 0 H ARG B 22 -18.171 -21.853 -8.745 1.00 0.00 H new ATOM 0 HA ARG B 22 -20.123 -23.723 -9.622 1.00 0.00 H new ATOM 0 HB2 ARG B 22 -17.679 -23.649 -7.786 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -18.691 -25.080 -7.753 1.00 0.00 H new ATOM 0 HG2 ARG B 22 -18.226 -25.621 -10.032 1.00 0.00 H new ATOM 0 HG3 ARG B 22 -17.675 -23.999 -10.405 1.00 0.00 H new ATOM 0 HD2 ARG B 22 -16.180 -25.669 -8.356 1.00 0.00 H new ATOM 0 HD3 ARG B 22 -15.902 -25.932 -10.066 1.00 0.00 H new ATOM 0 HE ARG B 22 -15.767 -23.123 -9.504 1.00 0.00 H new ATOM 0 HH11 ARG B 22 -13.786 -25.951 -8.710 1.00 0.00 H new ATOM 0 HH12 ARG B 22 -12.303 -24.998 -8.816 1.00 0.00 H new ATOM 0 HH21 ARG B 22 -13.876 -22.091 -9.778 1.00 0.00 H new ATOM 0 HH22 ARG B 22 -12.353 -22.900 -9.398 1.00 0.00 H new ATOM 648 N GLY B 23 -20.585 -22.720 -6.552 1.00 0.00 N ATOM 649 CA GLY B 23 -21.258 -23.003 -5.272 1.00 0.00 C ATOM 650 C GLY B 23 -20.537 -24.136 -4.524 1.00 0.00 C ATOM 651 O GLY B 23 -20.470 -25.271 -5.002 1.00 0.00 O ATOM 0 H GLY B 23 -20.036 -21.860 -6.541 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -21.273 -22.104 -4.656 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -22.296 -23.282 -5.454 1.00 0.00 H new ATOM 655 N PHE B 24 -19.904 -23.808 -3.396 1.00 0.00 N ATOM 656 CA PHE B 24 -18.677 -24.495 -2.962 1.00 0.00 C ATOM 657 C PHE B 24 -18.869 -25.561 -1.873 1.00 0.00 C ATOM 658 O PHE B 24 -19.796 -25.498 -1.060 1.00 0.00 O ATOM 659 CB PHE B 24 -17.644 -23.442 -2.534 1.00 0.00 C ATOM 660 CG PHE B 24 -17.517 -22.257 -3.480 1.00 0.00 C ATOM 661 CD1 PHE B 24 -17.434 -20.961 -2.946 1.00 0.00 C ATOM 662 CD2 PHE B 24 -17.556 -22.428 -4.881 1.00 0.00 C ATOM 663 CE1 PHE B 24 -17.420 -19.847 -3.798 1.00 0.00 C ATOM 664 CE2 PHE B 24 -17.574 -21.307 -5.731 1.00 0.00 C ATOM 665 CZ PHE B 24 -17.517 -20.016 -5.187 1.00 0.00 C ATOM 0 H PHE B 24 -20.217 -23.072 -2.764 1.00 0.00 H new ATOM 0 HA PHE B 24 -18.322 -25.064 -3.821 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -17.910 -23.072 -1.544 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -16.670 -23.923 -2.443 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -17.381 -20.822 -1.876 1.00 0.00 H new ATOM 0 HD2 PHE B 24 -17.572 -23.423 -5.302 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -17.334 -18.854 -3.382 1.00 0.00 H new ATOM 0 HE2 PHE B 24 -17.632 -21.441 -6.801 1.00 0.00 H new ATOM 0 HZ PHE B 24 -17.548 -19.153 -5.836 1.00 0.00 H new ATOM 675 N PHE B 25 -17.945 -26.526 -1.842 1.00 0.00 N ATOM 676 CA PHE B 25 -17.889 -27.602 -0.846 1.00 0.00 C ATOM 677 C PHE B 25 -17.409 -27.098 0.530 1.00 0.00 C ATOM 678 O PHE B 25 -18.065 -27.348 1.542 1.00 0.00 O ATOM 679 CB PHE B 25 -16.983 -28.709 -1.407 1.00 0.00 C ATOM 680 CG PHE B 25 -16.870 -29.944 -0.535 1.00 0.00 C ATOM 681 CD1 PHE B 25 -17.960 -30.830 -0.432 1.00 0.00 C ATOM 682 CD2 PHE B 25 -15.670 -30.231 0.145 1.00 0.00 C ATOM 683 CE1 PHE B 25 -17.853 -31.994 0.350 1.00 0.00 C ATOM 684 CE2 PHE B 25 -15.561 -31.400 0.919 1.00 0.00 C ATOM 685 CZ PHE B 25 -16.653 -32.280 1.025 1.00 0.00 C ATOM 0 H PHE B 25 -17.193 -26.582 -2.529 1.00 0.00 H new ATOM 0 HA PHE B 25 -18.890 -27.996 -0.670 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -17.360 -29.006 -2.385 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -15.985 -28.298 -1.561 1.00 0.00 H new ATOM 0 HD1 PHE B 25 -18.880 -30.615 -0.955 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -14.833 -29.553 0.072 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -18.693 -32.668 0.432 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -14.637 -31.622 1.433 1.00 0.00 H new ATOM 0 HZ PHE B 25 -16.570 -33.175 1.624 1.00 0.00 H new ATOM 695 N TYR B 26 -16.291 -26.358 0.548 1.00 0.00 N ATOM 696 CA TYR B 26 -15.759 -25.547 1.657 1.00 0.00 C ATOM 697 C TYR B 26 -15.901 -26.179 3.067 1.00 0.00 C ATOM 698 O TYR B 26 -16.635 -25.692 3.930 1.00 0.00 O ATOM 699 CB TYR B 26 -16.301 -24.106 1.536 1.00 0.00 C ATOM 700 CG TYR B 26 -15.488 -22.986 2.183 1.00 0.00 C ATOM 701 CD1 TYR B 26 -14.319 -23.239 2.935 1.00 0.00 C ATOM 702 CD2 TYR B 26 -15.889 -21.651 1.971 1.00 0.00 C ATOM 703 CE1 TYR B 26 -13.557 -22.182 3.460 1.00 0.00 C ATOM 704 CE2 TYR B 26 -15.127 -20.587 2.493 1.00 0.00 C ATOM 705 CZ TYR B 26 -13.957 -20.851 3.233 1.00 0.00 C ATOM 706 OH TYR B 26 -13.209 -19.829 3.721 1.00 0.00 O ATOM 0 H TYR B 26 -15.688 -26.306 -0.273 1.00 0.00 H new ATOM 0 HA TYR B 26 -14.675 -25.514 1.552 1.00 0.00 H new ATOM 0 HB2 TYR B 26 -16.406 -23.875 0.476 1.00 0.00 H new ATOM 0 HB3 TYR B 26 -17.302 -24.087 1.967 1.00 0.00 H new ATOM 0 HD1 TYR B 26 -14.007 -24.258 3.109 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -16.785 -21.443 1.405 1.00 0.00 H new ATOM 0 HE1 TYR B 26 -12.667 -22.390 4.036 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -15.440 -19.567 2.326 1.00 0.00 H new ATOM 0 HH TYR B 26 -13.297 -19.050 3.133 1.00 0.00 H new ATOM 716 N THR B 27 -15.204 -27.301 3.289 1.00 0.00 N ATOM 717 CA THR B 27 -15.377 -28.177 4.470 1.00 0.00 C ATOM 718 C THR B 27 -14.768 -27.738 5.831 1.00 0.00 C ATOM 719 O THR B 27 -15.387 -28.063 6.851 1.00 0.00 O ATOM 720 CB THR B 27 -14.968 -29.616 4.097 1.00 0.00 C ATOM 721 OG1 THR B 27 -15.358 -30.533 5.097 1.00 0.00 O ATOM 722 CG2 THR B 27 -13.467 -29.814 3.867 1.00 0.00 C ATOM 0 H THR B 27 -14.489 -27.637 2.644 1.00 0.00 H new ATOM 0 HA THR B 27 -16.440 -28.096 4.695 1.00 0.00 H new ATOM 0 HB THR B 27 -15.485 -29.798 3.155 1.00 0.00 H new ATOM 0 HG1 THR B 27 -15.088 -31.438 4.835 1.00 0.00 H new ATOM 0 HG21 THR B 27 -13.273 -30.855 3.610 1.00 0.00 H new ATOM 0 HG22 THR B 27 -13.136 -29.171 3.052 1.00 0.00 H new ATOM 0 HG23 THR B 27 -12.923 -29.557 4.776 1.00 0.00 H new ATOM 730 N PRO B 28 -13.617 -27.025 5.950 1.00 0.00 N ATOM 731 CA PRO B 28 -12.954 -26.762 7.244 1.00 0.00 C ATOM 732 C PRO B 28 -13.628 -25.630 8.052 1.00 0.00 C ATOM 733 O PRO B 28 -13.070 -24.540 8.219 1.00 0.00 O ATOM 734 CB PRO B 28 -11.496 -26.451 6.881 1.00 0.00 C ATOM 735 CG PRO B 28 -11.657 -25.707 5.561 1.00 0.00 C ATOM 736 CD PRO B 28 -12.762 -26.517 4.882 1.00 0.00 C ATOM 0 HA PRO B 28 -13.028 -27.620 7.912 1.00 0.00 H new ATOM 0 HB2 PRO B 28 -11.007 -25.839 7.639 1.00 0.00 H new ATOM 0 HB3 PRO B 28 -10.900 -27.357 6.770 1.00 0.00 H new ATOM 0 HG2 PRO B 28 -11.945 -24.666 5.710 1.00 0.00 H new ATOM 0 HG3 PRO B 28 -10.736 -25.703 4.978 1.00 0.00 H new ATOM 0 HD2 PRO B 28 -13.331 -25.895 4.192 1.00 0.00 H new ATOM 0 HD3 PRO B 28 -12.341 -27.336 4.299 1.00 0.00 H new ATOM 744 N LYS B 29 -14.837 -25.898 8.566 1.00 0.00 N ATOM 745 CA LYS B 29 -15.822 -24.902 9.042 1.00 0.00 C ATOM 746 C LYS B 29 -16.197 -23.886 7.940 1.00 0.00 C ATOM 747 O LYS B 29 -15.654 -23.909 6.833 1.00 0.00 O ATOM 748 CB LYS B 29 -15.358 -24.191 10.340 1.00 0.00 C ATOM 749 CG LYS B 29 -14.817 -25.072 11.489 1.00 0.00 C ATOM 750 CD LYS B 29 -13.299 -25.348 11.507 1.00 0.00 C ATOM 751 CE LYS B 29 -12.461 -24.059 11.478 1.00 0.00 C ATOM 752 NZ LYS B 29 -11.006 -24.326 11.621 1.00 0.00 N1+ ATOM 0 H LYS B 29 -15.175 -26.855 8.668 1.00 0.00 H new ATOM 0 HA LYS B 29 -16.727 -25.457 9.290 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -14.580 -23.476 10.071 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -16.200 -23.616 10.726 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -15.086 -24.599 12.434 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -15.335 -26.030 11.453 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -13.048 -25.919 12.401 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -13.036 -25.967 10.649 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -12.641 -23.533 10.540 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -12.787 -23.399 12.281 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -10.475 -23.443 11.477 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -10.813 -24.695 12.574 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -10.710 -25.027 10.912 1.00 0.00 H new ATOM 766 N THR B 30 -17.101 -22.956 8.252 1.00 0.00 N ATOM 767 CA THR B 30 -17.197 -21.668 7.537 1.00 0.00 C ATOM 768 C THR B 30 -16.435 -20.615 8.345 1.00 0.00 C ATOM 769 O THR B 30 -16.662 -20.469 9.549 1.00 0.00 O ATOM 770 CB THR B 30 -18.653 -21.249 7.281 1.00 0.00 C ATOM 771 OG1 THR B 30 -19.329 -22.279 6.586 1.00 0.00 O ATOM 772 CG2 THR B 30 -18.731 -19.993 6.408 1.00 0.00 C ATOM 0 H THR B 30 -17.785 -23.066 9.000 1.00 0.00 H new ATOM 0 HA THR B 30 -16.748 -21.771 6.549 1.00 0.00 H new ATOM 0 HB THR B 30 -19.107 -21.053 8.252 1.00 0.00 H new ATOM 0 HG1 THR B 30 -20.258 -22.010 6.425 1.00 0.00 H new ATOM 0 HG21 THR B 30 -19.775 -19.726 6.248 1.00 0.00 H new ATOM 0 HG22 THR B 30 -18.219 -19.171 6.907 1.00 0.00 H new ATOM 0 HG23 THR B 30 -18.255 -20.188 5.447 1.00 0.00 H new ATOM 780 N ARG B 31 -15.477 -19.924 7.717 1.00 0.00 N ATOM 781 CA ARG B 31 -14.448 -19.134 8.417 1.00 0.00 C ATOM 782 C ARG B 31 -14.958 -17.793 8.975 1.00 0.00 C ATOM 783 O ARG B 31 -15.033 -16.797 8.258 1.00 0.00 O ATOM 784 CB ARG B 31 -13.226 -18.978 7.489 1.00 0.00 C ATOM 785 CG ARG B 31 -12.291 -20.204 7.544 1.00 0.00 C ATOM 786 CD ARG B 31 -11.182 -20.150 8.615 1.00 0.00 C ATOM 787 NE ARG B 31 -11.672 -19.987 10.001 1.00 0.00 N ATOM 788 CZ ARG B 31 -11.904 -18.856 10.648 1.00 0.00 C ATOM 789 NH1 ARG B 31 -11.646 -17.682 10.158 1.00 0.00 N1+ ATOM 790 NH2 ARG B 31 -12.469 -18.845 11.814 1.00 0.00 N ATOM 0 H ARG B 31 -15.390 -19.895 6.701 1.00 0.00 H new ATOM 0 HA ARG B 31 -14.151 -19.681 9.312 1.00 0.00 H new ATOM 0 HB2 ARG B 31 -13.567 -18.829 6.464 1.00 0.00 H new ATOM 0 HB3 ARG B 31 -12.669 -18.085 7.772 1.00 0.00 H new ATOM 0 HG2 ARG B 31 -12.897 -21.093 7.719 1.00 0.00 H new ATOM 0 HG3 ARG B 31 -11.822 -20.325 6.567 1.00 0.00 H new ATOM 0 HD2 ARG B 31 -10.594 -21.066 8.557 1.00 0.00 H new ATOM 0 HD3 ARG B 31 -10.510 -19.324 8.382 1.00 0.00 H new ATOM 0 HE ARG B 31 -11.852 -20.847 10.519 1.00 0.00 H new ATOM 0 HH11 ARG B 31 -11.242 -17.596 9.225 1.00 0.00 H new ATOM 0 HH12 ARG B 31 -11.847 -16.845 10.706 1.00 0.00 H new ATOM 0 HH21 ARG B 31 -12.746 -19.722 12.255 1.00 0.00 H new ATOM 0 HH22 ARG B 31 -12.636 -17.959 12.291 1.00 0.00 H new ATOM 804 N ARG B 32 -15.256 -17.779 10.280 1.00 0.00 N ATOM 805 CA ARG B 32 -15.559 -16.601 11.121 1.00 0.00 C ATOM 806 C ARG B 32 -14.354 -15.667 11.281 1.00 0.00 C ATOM 807 O ARG B 32 -14.511 -14.469 10.957 1.00 0.00 O ATOM 808 CB ARG B 32 -16.134 -17.113 12.462 1.00 0.00 C ATOM 809 CG ARG B 32 -16.142 -16.172 13.686 1.00 0.00 C ATOM 810 CD ARG B 32 -16.637 -14.730 13.496 1.00 0.00 C ATOM 811 NE ARG B 32 -17.878 -14.626 12.703 1.00 0.00 N ATOM 812 CZ ARG B 32 -18.035 -13.935 11.589 1.00 0.00 C ATOM 813 NH1 ARG B 32 -17.047 -13.356 10.979 1.00 0.00 N1+ ATOM 814 NH2 ARG B 32 -19.204 -13.821 11.034 1.00 0.00 N ATOM 815 OXT ARG B 32 -13.284 -16.142 11.726 1.00 0.00 O1- ATOM 0 H ARG B 32 -15.296 -18.645 10.818 1.00 0.00 H new ATOM 0 HA ARG B 32 -16.307 -15.975 10.634 1.00 0.00 H new ATOM 0 HB2 ARG B 32 -17.163 -17.424 12.280 1.00 0.00 H new ATOM 0 HB3 ARG B 32 -15.575 -18.007 12.739 1.00 0.00 H new ATOM 0 HG2 ARG B 32 -16.758 -16.635 14.457 1.00 0.00 H new ATOM 0 HG3 ARG B 32 -15.125 -16.125 14.075 1.00 0.00 H new ATOM 0 HD2 ARG B 32 -16.804 -14.281 14.475 1.00 0.00 H new ATOM 0 HD3 ARG B 32 -15.855 -14.149 13.008 1.00 0.00 H new ATOM 0 HE ARG B 32 -18.691 -15.136 13.048 1.00 0.00 H new ATOM 0 HH11 ARG B 32 -16.103 -13.425 11.358 1.00 0.00 H new ATOM 0 HH12 ARG B 32 -17.215 -12.832 10.120 1.00 0.00 H new ATOM 0 HH21 ARG B 32 -20.016 -14.269 11.459 1.00 0.00 H new ATOM 0 HH22 ARG B 32 -19.310 -13.284 10.173 1.00 0.00 H new TER 829 ARG B 32