USER MOD reduce.3.24.130724 H: found=0, std=0, add=799, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 788 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 91 SER OG : rot 176:sc= 2.24 USER MOD Set 1.2: A 94 ASN : amide:sc= 1.06 K(o=3.3,f=-5.5!) USER MOD Set 1.3: A 96 SER OG : rot -170:sc= 0 USER MOD Set 2.1: A 32 GLN : amide:sc= -1.17! K(o=-1.5!,f=-2.5) USER MOD Set 2.2: A 63 GLN : amide:sc= -0.325 K(o=-1.5,f=-7.9!) USER MOD Set 3.1: A 57 CYS SG : rot 153:sc= -2.54! USER MOD Set 3.2: A 60 CYS SG : rot -62:sc= 0.158 USER MOD Set 3.3: A 77 HIS : no HE2:sc= 0.163 K(o=-3.5,f=-5.1) USER MOD Set 3.4: A 86 HIS :FLIP no HE2:sc= -1.29 F(o=-4.8,f=-3.5) USER MOD Set 4.1: A 53 SER OG : rot -170:sc= -0.0543 USER MOD Set 4.2: A 68 ASN : amide:sc= -0.435 X(o=-0.49,f=-0.43) USER MOD Set 5.1: A 31 CYS SG : rot -117:sc= -4.35! USER MOD Set 5.2: A 34 CYS SG : rot 180:sc= 0.447 USER MOD Set 5.3: A 65 CYS SG : rot -131:sc= 0.476 USER MOD Set 5.4: A 69 SER OG : rot -79:sc= 1.83 USER MOD Set 5.5: A 73 HIS : no HD1:sc= -1.26 X(o=-2.9,f=-2.7) USER MOD Set 6.1: A 7 CYS SG : rot 46:sc= -0.685 USER MOD Set 6.2: A 9 HIS : no HD1:sc= -0.499 X(o=-4.8,f=-5.2) USER MOD Set 6.3: A 87 CYS SG : rot 61:sc= -2.08! USER MOD Set 6.4: A 99 CYS SG : rot -138:sc= -2.12 USER MOD Set 6.5: A 102 CYS SG : rot 124:sc= 0.542 USER MOD Single : A 12 LYS NZ :NH3+ -169:sc=-0.00665 (180deg=-0.129) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 ASN : amide:sc= -1.74! C(o=-1.7!,f=-3.3!) USER MOD Single : A 20 LYS NZ :NH3+ -165:sc= -0.0354 (180deg=-0.231) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 ASN :FLIP amide:sc= -0.0704 F(o=-1.5!,f=-0.07) USER MOD Single : A 35 LYS NZ :NH3+ -130:sc= 1.19 (180deg=0.933) USER MOD Single : A 59 LYS NZ :NH3+ 172:sc= 1.98 (180deg=1.73) USER MOD Single : A 62 HIS : no HE2:sc= -0.221 K(o=-0.22,f=-1.1) USER MOD Single : A 70 GLN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 72 GLN : amide:sc= -7.13! C(o=-7.1!,f=-13!) USER MOD Single : A 76 LYS NZ :NH3+ 166:sc= 1.22 (180deg=1.17) USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot 49:sc= 0.975 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 100 TYR OH : rot 30:sc= 0 USER MOD Single : A 104 ASN :FLIP amide:sc= -6.48! C(o=-7.3!,f=-6.5!) USER MOD Single : A 107 GLN :FLIP amide:sc= -0.0222 F(o=-2.4!,f=-0.022) USER MOD Single : A 108 TYR OH : rot 50:sc= -0.184 USER MOD Single : A 112 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 113 GLN :FLIP amide:sc= -3.85! C(o=-6.4!,f=-3.8!) USER MOD Single : A 116 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 120 TYR OH : rot 30:sc= -2.09! USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 GLN : amide:sc= 0.551 K(o=0.55,f=-0.74) USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 31 N CYS A 7 4.346 -17.514 -4.269 1.00 0.00 N ATOM 32 CA CYS A 7 3.984 -17.184 -2.954 1.00 0.00 C ATOM 33 C CYS A 7 2.781 -18.024 -2.561 1.00 0.00 C ATOM 34 O CYS A 7 1.816 -18.158 -3.300 1.00 0.00 O ATOM 35 CB CYS A 7 3.721 -15.681 -2.827 1.00 0.00 C ATOM 36 SG CYS A 7 3.029 -15.141 -1.249 1.00 0.00 S ATOM 0 HA CYS A 7 4.799 -17.408 -2.266 1.00 0.00 H new ATOM 0 HB2 CYS A 7 4.659 -15.151 -2.992 1.00 0.00 H new ATOM 0 HB3 CYS A 7 3.040 -15.381 -3.624 1.00 0.00 H new ATOM 0 HG CYS A 7 3.677 -15.707 -0.275 1.00 0.00 H new ATOM 41 N ARG A 8 2.893 -18.603 -1.417 1.00 0.00 N ATOM 42 CA ARG A 8 1.912 -19.502 -0.843 1.00 0.00 C ATOM 43 C ARG A 8 1.178 -18.798 0.275 1.00 0.00 C ATOM 44 O ARG A 8 0.608 -19.419 1.171 1.00 0.00 O ATOM 45 CB ARG A 8 2.671 -20.697 -0.282 1.00 0.00 C ATOM 46 CG ARG A 8 3.537 -21.383 -1.320 1.00 0.00 C ATOM 47 CD ARG A 8 2.687 -22.004 -2.395 1.00 0.00 C ATOM 48 NE ARG A 8 3.475 -22.494 -3.517 1.00 0.00 N ATOM 49 CZ ARG A 8 3.004 -23.303 -4.465 1.00 0.00 C ATOM 50 NH1 ARG A 8 1.766 -23.781 -4.388 1.00 0.00 N ATOM 51 NH2 ARG A 8 3.760 -23.599 -5.499 1.00 0.00 N ATOM 0 H ARG A 8 3.705 -18.466 -0.815 1.00 0.00 H new ATOM 0 HA ARG A 8 1.186 -19.819 -1.592 1.00 0.00 H new ATOM 0 HB2 ARG A 8 3.298 -20.367 0.547 1.00 0.00 H new ATOM 0 HB3 ARG A 8 1.959 -21.416 0.123 1.00 0.00 H new ATOM 0 HG2 ARG A 8 4.223 -20.661 -1.763 1.00 0.00 H new ATOM 0 HG3 ARG A 8 4.147 -22.150 -0.843 1.00 0.00 H new ATOM 0 HD2 ARG A 8 2.115 -22.829 -1.970 1.00 0.00 H new ATOM 0 HD3 ARG A 8 1.967 -21.269 -2.755 1.00 0.00 H new ATOM 0 HE ARG A 8 4.449 -22.199 -3.581 1.00 0.00 H new ATOM 0 HH11 ARG A 8 1.170 -23.529 -3.600 1.00 0.00 H new ATOM 0 HH12 ARG A 8 1.412 -24.400 -5.117 1.00 0.00 H new ATOM 0 HH21 ARG A 8 4.700 -23.210 -5.571 1.00 0.00 H new ATOM 0 HH22 ARG A 8 3.406 -24.218 -6.229 1.00 0.00 H new ATOM 65 N HIS A 9 1.187 -17.497 0.199 1.00 0.00 N ATOM 66 CA HIS A 9 0.589 -16.640 1.210 1.00 0.00 C ATOM 67 C HIS A 9 -0.402 -15.739 0.531 1.00 0.00 C ATOM 68 O HIS A 9 -0.692 -14.666 1.027 1.00 0.00 O ATOM 69 CB HIS A 9 1.655 -15.720 1.862 1.00 0.00 C ATOM 70 CG HIS A 9 2.851 -16.390 2.469 1.00 0.00 C ATOM 71 ND1 HIS A 9 4.115 -16.124 2.005 1.00 0.00 N ATOM 72 CD2 HIS A 9 2.932 -17.241 3.521 1.00 0.00 C ATOM 73 CE1 HIS A 9 4.938 -16.810 2.779 1.00 0.00 C ATOM 74 NE2 HIS A 9 4.265 -17.504 3.713 1.00 0.00 N ATOM 0 H HIS A 9 1.613 -16.985 -0.574 1.00 0.00 H new ATOM 0 HA HIS A 9 0.130 -17.271 1.971 1.00 0.00 H new ATOM 0 HB2 HIS A 9 2.007 -15.019 1.105 1.00 0.00 H new ATOM 0 HB3 HIS A 9 1.166 -15.131 2.638 1.00 0.00 H new ATOM 0 HD2 HIS A 9 2.107 -17.635 4.096 1.00 0.00 H new ATOM 0 HE1 HIS A 9 6.013 -16.813 2.674 1.00 0.00 H new ATOM 0 HE2 HIS A 9 4.668 -18.110 4.428 1.00 0.00 H new ATOM 82 N ILE A 10 -0.951 -16.185 -0.580 1.00 0.00 N ATOM 83 CA ILE A 10 -1.804 -15.325 -1.376 1.00 0.00 C ATOM 84 C ILE A 10 -3.096 -15.085 -0.644 1.00 0.00 C ATOM 85 O ILE A 10 -3.478 -13.987 -0.401 1.00 0.00 O ATOM 86 CB ILE A 10 -2.101 -15.919 -2.777 1.00 0.00 C ATOM 87 CG1 ILE A 10 -0.799 -16.285 -3.503 1.00 0.00 C ATOM 88 CG2 ILE A 10 -2.921 -14.939 -3.615 1.00 0.00 C ATOM 89 CD1 ILE A 10 0.177 -15.146 -3.650 1.00 0.00 C ATOM 0 H ILE A 10 -0.824 -17.127 -0.950 1.00 0.00 H new ATOM 0 HA ILE A 10 -1.273 -14.385 -1.528 1.00 0.00 H new ATOM 0 HB ILE A 10 -2.684 -16.830 -2.641 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -0.312 -17.096 -2.962 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -1.045 -16.666 -4.494 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -3.119 -15.375 -4.594 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -3.866 -14.732 -3.112 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -2.364 -14.010 -3.737 1.00 0.00 H new ATOM 0 HD11 ILE A 10 1.067 -15.495 -4.174 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -0.287 -14.340 -4.219 1.00 0.00 H new ATOM 0 HD13 ILE A 10 0.458 -14.778 -2.663 1.00 0.00 H new ATOM 101 N ARG A 11 -3.704 -16.153 -0.226 1.00 0.00 N ATOM 102 CA ARG A 11 -4.981 -16.109 0.491 1.00 0.00 C ATOM 103 C ARG A 11 -4.806 -15.474 1.866 1.00 0.00 C ATOM 104 O ARG A 11 -5.743 -14.932 2.448 1.00 0.00 O ATOM 105 CB ARG A 11 -5.516 -17.501 0.659 1.00 0.00 C ATOM 106 CG ARG A 11 -5.807 -18.223 -0.646 1.00 0.00 C ATOM 107 CD ARG A 11 -6.321 -19.626 -0.394 1.00 0.00 C ATOM 108 NE ARG A 11 -7.515 -19.627 0.460 1.00 0.00 N ATOM 109 CZ ARG A 11 -7.990 -20.694 1.106 1.00 0.00 C ATOM 110 NH1 ARG A 11 -7.429 -21.882 0.941 1.00 0.00 N ATOM 111 NH2 ARG A 11 -9.034 -20.568 1.907 1.00 0.00 N ATOM 0 H ARG A 11 -3.341 -17.096 -0.365 1.00 0.00 H new ATOM 0 HA ARG A 11 -5.680 -15.508 -0.091 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -4.797 -18.087 1.232 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -6.432 -17.457 1.248 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -6.544 -17.661 -1.219 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -4.900 -18.268 -1.250 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -6.555 -20.103 -1.346 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -5.538 -20.220 0.076 1.00 0.00 H new ATOM 0 HE ARG A 11 -8.019 -18.747 0.568 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -6.629 -21.986 0.317 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -7.797 -22.693 1.438 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -9.475 -19.657 2.030 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -9.399 -21.382 2.402 1.00 0.00 H new ATOM 125 N LYS A 12 -3.604 -15.550 2.368 1.00 0.00 N ATOM 126 CA LYS A 12 -3.267 -15.011 3.669 1.00 0.00 C ATOM 127 C LYS A 12 -3.038 -13.508 3.570 1.00 0.00 C ATOM 128 O LYS A 12 -3.415 -12.731 4.464 1.00 0.00 O ATOM 129 CB LYS A 12 -1.999 -15.688 4.193 1.00 0.00 C ATOM 130 CG LYS A 12 -2.111 -17.197 4.306 1.00 0.00 C ATOM 131 CD LYS A 12 -0.799 -17.815 4.754 1.00 0.00 C ATOM 132 CE LYS A 12 -0.897 -19.331 4.843 1.00 0.00 C ATOM 133 NZ LYS A 12 -1.875 -19.773 5.863 1.00 0.00 N ATOM 0 H LYS A 12 -2.820 -15.990 1.886 1.00 0.00 H new ATOM 0 HA LYS A 12 -4.092 -15.201 4.355 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -1.168 -15.443 3.531 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -1.758 -15.277 5.173 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -2.897 -17.453 5.016 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -2.402 -17.615 3.343 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -0.009 -17.541 4.054 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -0.518 -17.410 5.726 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -1.184 -19.732 3.871 1.00 0.00 H new ATOM 0 HE3 LYS A 12 0.084 -19.743 5.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -1.775 -20.796 6.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -1.699 -19.267 6.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -2.839 -19.566 5.532 1.00 0.00 H new ATOM 147 N GLY A 13 -2.496 -13.113 2.452 1.00 0.00 N ATOM 148 CA GLY A 13 -2.079 -11.760 2.224 1.00 0.00 C ATOM 149 C GLY A 13 -2.998 -10.989 1.343 1.00 0.00 C ATOM 150 O GLY A 13 -2.785 -9.819 1.128 1.00 0.00 O ATOM 0 H GLY A 13 -2.329 -13.734 1.660 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -1.996 -11.249 3.183 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -1.084 -11.766 1.779 1.00 0.00 H new ATOM 154 N LEU A 14 -3.983 -11.634 0.817 1.00 0.00 N ATOM 155 CA LEU A 14 -4.920 -11.007 -0.061 1.00 0.00 C ATOM 156 C LEU A 14 -6.311 -11.415 0.392 1.00 0.00 C ATOM 157 O LEU A 14 -6.615 -12.613 0.449 1.00 0.00 O ATOM 158 CB LEU A 14 -4.611 -11.500 -1.481 1.00 0.00 C ATOM 159 CG LEU A 14 -5.041 -10.654 -2.653 1.00 0.00 C ATOM 160 CD1 LEU A 14 -4.357 -11.177 -3.883 1.00 0.00 C ATOM 161 CD2 LEU A 14 -6.521 -10.694 -2.877 1.00 0.00 C ATOM 0 H LEU A 14 -4.165 -12.624 0.985 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.858 -9.919 -0.048 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.533 -11.641 -1.554 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -5.070 -12.482 -1.597 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.767 -9.620 -2.441 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -4.653 -10.580 -4.746 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.277 -11.115 -3.752 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -4.644 -12.216 -4.045 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -6.777 -10.068 -3.732 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -6.832 -11.720 -3.072 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -7.033 -10.323 -1.990 1.00 0.00 H new ATOM 173 N GLU A 15 -7.144 -10.455 0.730 1.00 0.00 N ATOM 174 CA GLU A 15 -8.468 -10.772 1.230 1.00 0.00 C ATOM 175 C GLU A 15 -9.489 -10.106 0.301 1.00 0.00 C ATOM 176 O GLU A 15 -9.888 -8.978 0.541 1.00 0.00 O ATOM 177 CB GLU A 15 -8.612 -10.262 2.654 1.00 0.00 C ATOM 178 CG GLU A 15 -9.622 -10.983 3.501 1.00 0.00 C ATOM 179 CD GLU A 15 -10.993 -11.065 2.898 1.00 0.00 C ATOM 180 OE1 GLU A 15 -11.710 -10.061 2.867 1.00 0.00 O ATOM 181 OE2 GLU A 15 -11.374 -12.159 2.440 1.00 0.00 O ATOM 0 H GLU A 15 -6.934 -9.459 0.670 1.00 0.00 H new ATOM 0 HA GLU A 15 -8.634 -11.849 1.245 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -7.641 -10.326 3.144 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -8.882 -9.206 2.618 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -9.262 -11.994 3.692 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -9.693 -10.482 4.466 1.00 0.00 H new ATOM 188 N GLN A 16 -9.905 -10.807 -0.742 1.00 0.00 N ATOM 189 CA GLN A 16 -10.729 -10.213 -1.805 1.00 0.00 C ATOM 190 C GLN A 16 -11.990 -9.513 -1.298 1.00 0.00 C ATOM 191 O GLN A 16 -12.376 -8.471 -1.825 1.00 0.00 O ATOM 192 CB GLN A 16 -11.124 -11.254 -2.845 1.00 0.00 C ATOM 193 CG GLN A 16 -9.948 -11.921 -3.530 1.00 0.00 C ATOM 194 CD GLN A 16 -10.369 -12.875 -4.626 1.00 0.00 C ATOM 195 OE1 GLN A 16 -10.574 -14.063 -4.392 1.00 0.00 O ATOM 196 NE2 GLN A 16 -10.521 -12.368 -5.819 1.00 0.00 N ATOM 0 H GLN A 16 -9.689 -11.794 -0.883 1.00 0.00 H new ATOM 0 HA GLN A 16 -10.094 -9.450 -2.256 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -11.733 -12.020 -2.364 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -11.749 -10.778 -3.601 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -9.298 -11.155 -3.952 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -9.362 -12.464 -2.788 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -10.342 -11.377 -5.978 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -10.819 -12.963 -6.592 1.00 0.00 H new ATOM 205 N GLY A 17 -12.600 -10.078 -0.259 1.00 0.00 N ATOM 206 CA GLY A 17 -13.830 -9.544 0.287 1.00 0.00 C ATOM 207 C GLY A 17 -13.698 -8.115 0.781 1.00 0.00 C ATOM 208 O GLY A 17 -14.446 -7.232 0.342 1.00 0.00 O ATOM 0 H GLY A 17 -12.255 -10.910 0.219 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -14.607 -9.587 -0.476 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -14.158 -10.177 1.111 1.00 0.00 H new ATOM 212 N ASN A 18 -12.732 -7.860 1.655 1.00 0.00 N ATOM 213 CA ASN A 18 -12.577 -6.506 2.195 1.00 0.00 C ATOM 214 C ASN A 18 -11.917 -5.577 1.173 1.00 0.00 C ATOM 215 O ASN A 18 -12.043 -4.356 1.265 1.00 0.00 O ATOM 216 CB ASN A 18 -11.861 -6.452 3.581 1.00 0.00 C ATOM 217 CG ASN A 18 -10.361 -6.486 3.570 1.00 0.00 C ATOM 218 OD1 ASN A 18 -9.716 -5.826 4.388 1.00 0.00 O ATOM 219 ND2 ASN A 18 -9.796 -7.275 2.759 1.00 0.00 N ATOM 0 H ASN A 18 -12.061 -8.546 2.000 1.00 0.00 H new ATOM 0 HA ASN A 18 -13.587 -6.143 2.386 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -12.176 -5.542 4.091 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -12.215 -7.291 4.179 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -8.781 -7.378 2.771 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -10.355 -7.808 2.093 1.00 0.00 H new ATOM 226 N LEU A 19 -11.256 -6.174 0.168 1.00 0.00 N ATOM 227 CA LEU A 19 -10.634 -5.424 -0.934 1.00 0.00 C ATOM 228 C LEU A 19 -11.660 -4.619 -1.645 1.00 0.00 C ATOM 229 O LEU A 19 -11.511 -3.411 -1.782 1.00 0.00 O ATOM 230 CB LEU A 19 -9.967 -6.364 -1.947 1.00 0.00 C ATOM 231 CG LEU A 19 -8.489 -6.714 -1.767 1.00 0.00 C ATOM 232 CD1 LEU A 19 -7.604 -5.687 -2.411 1.00 0.00 C ATOM 233 CD2 LEU A 19 -8.119 -6.817 -0.336 1.00 0.00 C ATOM 0 H LEU A 19 -11.138 -7.185 0.097 1.00 0.00 H new ATOM 0 HA LEU A 19 -9.875 -4.775 -0.498 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -10.529 -7.298 -1.950 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -10.083 -5.919 -2.935 1.00 0.00 H new ATOM 0 HG LEU A 19 -8.343 -7.681 -2.248 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -6.560 -5.964 -2.266 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -7.821 -5.637 -3.478 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -7.787 -4.713 -1.958 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -7.061 -7.067 -0.251 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -8.308 -5.864 0.158 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -8.715 -7.596 0.139 1.00 0.00 H new ATOM 245 N LYS A 20 -12.738 -5.276 -2.045 1.00 0.00 N ATOM 246 CA LYS A 20 -13.814 -4.631 -2.797 1.00 0.00 C ATOM 247 C LYS A 20 -14.342 -3.428 -1.994 1.00 0.00 C ATOM 248 O LYS A 20 -14.440 -2.318 -2.518 1.00 0.00 O ATOM 249 CB LYS A 20 -14.973 -5.623 -3.060 1.00 0.00 C ATOM 250 CG LYS A 20 -14.567 -7.042 -3.517 1.00 0.00 C ATOM 251 CD LYS A 20 -13.910 -7.097 -4.867 1.00 0.00 C ATOM 252 CE LYS A 20 -14.892 -6.827 -5.996 1.00 0.00 C ATOM 253 NZ LYS A 20 -15.925 -7.877 -6.124 1.00 0.00 N ATOM 0 H LYS A 20 -12.895 -6.267 -1.861 1.00 0.00 H new ATOM 0 HA LYS A 20 -13.419 -4.298 -3.757 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -15.561 -5.713 -2.147 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -15.627 -5.193 -3.819 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -13.887 -7.467 -2.779 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -15.456 -7.673 -3.533 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -13.103 -6.365 -4.907 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -13.457 -8.078 -5.009 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -15.377 -5.866 -5.826 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -14.345 -6.746 -6.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -16.402 -7.784 -7.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -15.478 -8.814 -6.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -16.623 -7.773 -5.360 1.00 0.00 H new ATOM 267 N LYS A 21 -14.517 -3.627 -0.698 1.00 0.00 N ATOM 268 CA LYS A 21 -15.134 -2.625 0.153 1.00 0.00 C ATOM 269 C LYS A 21 -14.196 -1.440 0.387 1.00 0.00 C ATOM 270 O LYS A 21 -14.639 -0.289 0.489 1.00 0.00 O ATOM 271 CB LYS A 21 -15.523 -3.268 1.463 1.00 0.00 C ATOM 272 CG LYS A 21 -16.501 -4.418 1.301 1.00 0.00 C ATOM 273 CD LYS A 21 -16.522 -5.305 2.529 1.00 0.00 C ATOM 274 CE LYS A 21 -16.946 -4.556 3.791 1.00 0.00 C ATOM 275 NZ LYS A 21 -17.002 -5.445 4.975 1.00 0.00 N ATOM 0 H LYS A 21 -14.238 -4.479 -0.211 1.00 0.00 H new ATOM 0 HA LYS A 21 -16.024 -2.236 -0.342 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -14.625 -3.632 1.962 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -15.965 -2.513 2.113 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -17.501 -4.024 1.118 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -16.227 -5.010 0.428 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -17.205 -6.137 2.359 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -15.531 -5.732 2.681 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -16.246 -3.743 3.982 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -17.925 -4.103 3.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -17.294 -4.895 5.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -17.689 -6.207 4.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -16.062 -5.858 5.144 1.00 0.00 H new ATOM 289 N ALA A 22 -12.910 -1.711 0.421 1.00 0.00 N ATOM 290 CA ALA A 22 -11.944 -0.681 0.667 1.00 0.00 C ATOM 291 C ALA A 22 -11.727 0.167 -0.560 1.00 0.00 C ATOM 292 O ALA A 22 -11.659 1.393 -0.466 1.00 0.00 O ATOM 293 CB ALA A 22 -10.643 -1.277 1.125 1.00 0.00 C ATOM 0 H ALA A 22 -12.515 -2.641 0.280 1.00 0.00 H new ATOM 0 HA ALA A 22 -12.334 -0.040 1.457 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -9.922 -0.480 1.307 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -10.804 -1.838 2.046 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -10.258 -1.946 0.355 1.00 0.00 H new ATOM 299 N LEU A 23 -11.699 -0.473 -1.724 1.00 0.00 N ATOM 300 CA LEU A 23 -11.396 0.217 -2.967 1.00 0.00 C ATOM 301 C LEU A 23 -12.566 1.075 -3.414 1.00 0.00 C ATOM 302 O LEU A 23 -12.451 1.877 -4.340 1.00 0.00 O ATOM 303 CB LEU A 23 -10.982 -0.749 -4.068 1.00 0.00 C ATOM 304 CG LEU A 23 -9.973 -1.837 -3.666 1.00 0.00 C ATOM 305 CD1 LEU A 23 -9.498 -2.619 -4.846 1.00 0.00 C ATOM 306 CD2 LEU A 23 -8.800 -1.330 -2.821 1.00 0.00 C ATOM 0 H LEU A 23 -11.883 -1.471 -1.830 1.00 0.00 H new ATOM 0 HA LEU A 23 -10.546 0.871 -2.772 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -11.878 -1.237 -4.452 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -10.556 -0.172 -4.889 1.00 0.00 H new ATOM 0 HG LEU A 23 -10.531 -2.509 -3.013 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -8.787 -3.377 -4.518 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -10.348 -3.103 -5.328 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -9.012 -1.949 -5.555 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -8.137 -2.162 -2.582 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -8.248 -0.575 -3.381 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -9.179 -0.892 -1.898 1.00 0.00 H new ATOM 318 N VAL A 24 -13.688 0.894 -2.756 1.00 0.00 N ATOM 319 CA VAL A 24 -14.853 1.737 -2.982 1.00 0.00 C ATOM 320 C VAL A 24 -14.545 3.182 -2.570 1.00 0.00 C ATOM 321 O VAL A 24 -14.657 4.113 -3.371 1.00 0.00 O ATOM 322 CB VAL A 24 -16.103 1.252 -2.184 1.00 0.00 C ATOM 323 CG1 VAL A 24 -17.251 2.238 -2.332 1.00 0.00 C ATOM 324 CG2 VAL A 24 -16.544 -0.116 -2.650 1.00 0.00 C ATOM 0 H VAL A 24 -13.825 0.167 -2.054 1.00 0.00 H new ATOM 0 HA VAL A 24 -15.081 1.678 -4.046 1.00 0.00 H new ATOM 0 HB VAL A 24 -15.821 1.190 -1.133 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -18.113 1.881 -1.768 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -16.946 3.212 -1.950 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -17.519 2.329 -3.385 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -17.417 -0.431 -2.078 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -16.799 -0.075 -3.709 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -15.734 -0.830 -2.500 1.00 0.00 H new ATOM 334 N ASN A 25 -14.109 3.357 -1.343 1.00 0.00 N ATOM 335 CA ASN A 25 -13.898 4.704 -0.795 1.00 0.00 C ATOM 336 C ASN A 25 -12.442 5.059 -0.782 1.00 0.00 C ATOM 337 O ASN A 25 -12.046 6.052 -0.196 1.00 0.00 O ATOM 338 CB ASN A 25 -14.449 4.809 0.635 1.00 0.00 C ATOM 339 CG ASN A 25 -15.941 4.600 0.712 1.00 0.00 C ATOM 340 OD1 ASN A 25 -16.716 5.534 0.544 1.00 0.00 O ATOM 341 ND2 ASN A 25 -16.358 3.394 1.000 1.00 0.00 N ATOM 0 H ASN A 25 -13.891 2.597 -0.699 1.00 0.00 H new ATOM 0 HA ASN A 25 -14.433 5.401 -1.441 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -13.952 4.071 1.264 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -14.204 5.791 1.041 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -17.357 3.208 1.091 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -15.684 2.640 1.133 1.00 0.00 H new ATOM 348 N VAL A 26 -11.662 4.267 -1.448 1.00 0.00 N ATOM 349 CA VAL A 26 -10.244 4.400 -1.436 1.00 0.00 C ATOM 350 C VAL A 26 -9.742 5.588 -2.259 1.00 0.00 C ATOM 351 O VAL A 26 -10.442 6.116 -3.145 1.00 0.00 O ATOM 352 CB VAL A 26 -9.640 3.113 -1.975 1.00 0.00 C ATOM 353 CG1 VAL A 26 -9.502 3.043 -3.466 1.00 0.00 C ATOM 354 CG2 VAL A 26 -8.451 2.665 -1.231 1.00 0.00 C ATOM 0 H VAL A 26 -12.001 3.497 -2.025 1.00 0.00 H new ATOM 0 HA VAL A 26 -9.935 4.587 -0.407 1.00 0.00 H new ATOM 0 HB VAL A 26 -10.402 2.361 -1.770 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -9.062 2.086 -3.746 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -10.485 3.139 -3.927 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -8.859 3.853 -3.810 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -8.073 1.742 -1.670 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -7.679 3.433 -1.282 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -8.719 2.488 -0.189 1.00 0.00 H new ATOM 364 N GLU A 27 -8.562 5.998 -1.930 1.00 0.00 N ATOM 365 CA GLU A 27 -7.830 7.011 -2.643 1.00 0.00 C ATOM 366 C GLU A 27 -6.650 6.406 -3.326 1.00 0.00 C ATOM 367 O GLU A 27 -5.711 5.934 -2.699 1.00 0.00 O ATOM 368 CB GLU A 27 -7.363 8.142 -1.763 1.00 0.00 C ATOM 369 CG GLU A 27 -6.818 7.734 -0.423 1.00 0.00 C ATOM 370 CD GLU A 27 -7.912 7.422 0.580 1.00 0.00 C ATOM 371 OE1 GLU A 27 -8.554 8.379 1.075 1.00 0.00 O ATOM 372 OE2 GLU A 27 -8.192 6.237 0.854 1.00 0.00 O ATOM 0 H GLU A 27 -8.055 5.627 -1.127 1.00 0.00 H new ATOM 0 HA GLU A 27 -8.524 7.432 -3.371 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -6.592 8.699 -2.295 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -8.198 8.825 -1.604 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -6.181 6.858 -0.545 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -6.189 8.533 -0.032 1.00 0.00 H new ATOM 379 N TRP A 28 -6.680 6.438 -4.580 1.00 0.00 N ATOM 380 CA TRP A 28 -5.672 5.821 -5.357 1.00 0.00 C ATOM 381 C TRP A 28 -4.437 6.618 -5.493 1.00 0.00 C ATOM 382 O TRP A 28 -4.467 7.799 -5.845 1.00 0.00 O ATOM 383 CB TRP A 28 -6.197 5.378 -6.670 1.00 0.00 C ATOM 384 CG TRP A 28 -6.970 4.148 -6.533 1.00 0.00 C ATOM 385 CD1 TRP A 28 -8.267 3.967 -6.787 1.00 0.00 C ATOM 386 CD2 TRP A 28 -6.469 2.912 -6.064 1.00 0.00 C ATOM 387 NE1 TRP A 28 -8.622 2.681 -6.512 1.00 0.00 N ATOM 388 CE2 TRP A 28 -7.524 2.013 -6.075 1.00 0.00 C ATOM 389 CE3 TRP A 28 -5.216 2.482 -5.644 1.00 0.00 C ATOM 390 CZ2 TRP A 28 -7.375 0.716 -5.686 1.00 0.00 C ATOM 391 CZ3 TRP A 28 -5.072 1.187 -5.249 1.00 0.00 C ATOM 392 CH2 TRP A 28 -6.146 0.318 -5.277 1.00 0.00 C ATOM 0 H TRP A 28 -7.411 6.897 -5.123 1.00 0.00 H new ATOM 0 HA TRP A 28 -5.371 4.936 -4.797 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -6.824 6.160 -7.098 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -5.370 5.217 -7.362 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -8.938 4.729 -7.157 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -9.557 2.286 -6.617 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -4.375 3.160 -5.631 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -8.208 0.029 -5.703 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -4.109 0.835 -4.910 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -6.002 -0.706 -4.965 1.00 0.00 H new ATOM 403 N ASN A 29 -3.343 5.937 -5.172 1.00 0.00 N ATOM 404 CA ASN A 29 -1.981 6.446 -5.256 1.00 0.00 C ATOM 405 C ASN A 29 -1.752 7.490 -4.189 1.00 0.00 C ATOM 406 O ASN A 29 -0.840 8.303 -4.241 1.00 0.00 O ATOM 407 CB ASN A 29 -1.696 6.944 -6.656 1.00 0.00 C ATOM 408 CG ASN A 29 -0.245 6.965 -6.980 1.00 0.00 C ATOM 409 OD1 ASN A 29 0.200 5.908 -7.537 1.00 0.00 O flip ATOM 410 ND2 ASN A 29 0.465 7.948 -6.760 1.00 0.00 N flip ATOM 0 H ASN A 29 -3.383 4.976 -4.832 1.00 0.00 H new ATOM 0 HA ASN A 29 -1.269 5.643 -5.063 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -2.214 6.309 -7.374 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -2.102 7.949 -6.768 1.00 0.00 H new ATOM 0 HD21 ASN A 29 0.068 8.774 -6.312 1.00 0.00 H new ATOM 0 HD22 ASN A 29 1.450 7.936 -7.026 1.00 0.00 H new ATOM 417 N ILE A 30 -2.573 7.406 -3.193 1.00 0.00 N ATOM 418 CA ILE A 30 -2.494 8.245 -2.060 1.00 0.00 C ATOM 419 C ILE A 30 -2.334 7.353 -0.868 1.00 0.00 C ATOM 420 O ILE A 30 -3.248 6.604 -0.539 1.00 0.00 O ATOM 421 CB ILE A 30 -3.781 9.109 -1.889 1.00 0.00 C ATOM 422 CG1 ILE A 30 -3.971 10.036 -3.103 1.00 0.00 C ATOM 423 CG2 ILE A 30 -3.735 9.913 -0.583 1.00 0.00 C ATOM 424 CD1 ILE A 30 -5.188 10.936 -3.041 1.00 0.00 C ATOM 0 H ILE A 30 -3.336 6.730 -3.152 1.00 0.00 H new ATOM 0 HA ILE A 30 -1.656 8.933 -2.172 1.00 0.00 H new ATOM 0 HB ILE A 30 -4.639 8.438 -1.834 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -3.083 10.659 -3.207 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -4.037 9.423 -4.002 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -4.644 10.507 -0.489 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -3.659 9.229 0.263 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -2.869 10.575 -0.594 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -5.233 11.549 -3.941 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -6.089 10.326 -2.972 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -5.119 11.581 -2.165 1.00 0.00 H new ATOM 436 N CYS A 31 -1.144 7.326 -0.312 1.00 0.00 N ATOM 437 CA CYS A 31 -0.919 6.627 0.929 1.00 0.00 C ATOM 438 C CYS A 31 -1.825 7.183 1.995 1.00 0.00 C ATOM 439 O CYS A 31 -1.614 8.277 2.506 1.00 0.00 O ATOM 440 CB CYS A 31 0.563 6.642 1.367 1.00 0.00 C ATOM 441 SG CYS A 31 0.867 6.214 3.092 1.00 0.00 S ATOM 0 H CYS A 31 -0.318 7.781 -0.701 1.00 0.00 H new ATOM 0 HA CYS A 31 -1.163 5.577 0.770 1.00 0.00 H new ATOM 0 HB2 CYS A 31 1.117 5.948 0.735 1.00 0.00 H new ATOM 0 HB3 CYS A 31 0.969 7.636 1.181 1.00 0.00 H new ATOM 0 HG CYS A 31 1.390 7.233 3.706 1.00 0.00 H new ATOM 446 N GLN A 32 -2.843 6.437 2.288 1.00 0.00 N ATOM 447 CA GLN A 32 -3.830 6.806 3.268 1.00 0.00 C ATOM 448 C GLN A 32 -3.242 7.025 4.662 1.00 0.00 C ATOM 449 O GLN A 32 -3.769 7.791 5.437 1.00 0.00 O ATOM 450 CB GLN A 32 -4.971 5.812 3.290 1.00 0.00 C ATOM 451 CG GLN A 32 -4.557 4.392 3.481 1.00 0.00 C ATOM 452 CD GLN A 32 -5.745 3.501 3.469 1.00 0.00 C ATOM 453 OE1 GLN A 32 -6.313 3.176 4.510 1.00 0.00 O ATOM 454 NE2 GLN A 32 -6.180 3.158 2.299 1.00 0.00 N ATOM 0 H GLN A 32 -3.020 5.535 1.847 1.00 0.00 H new ATOM 0 HA GLN A 32 -4.228 7.773 2.960 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -5.659 6.086 4.090 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -5.523 5.892 2.354 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -3.866 4.098 2.691 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -4.024 4.286 4.426 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -5.676 3.450 1.462 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -7.027 2.595 2.214 1.00 0.00 H new ATOM 463 N ASP A 33 -2.125 6.402 4.967 1.00 0.00 N ATOM 464 CA ASP A 33 -1.515 6.651 6.282 1.00 0.00 C ATOM 465 C ASP A 33 -0.837 8.035 6.299 1.00 0.00 C ATOM 466 O ASP A 33 -0.486 8.554 7.345 1.00 0.00 O ATOM 467 CB ASP A 33 -0.555 5.539 6.743 1.00 0.00 C ATOM 468 CG ASP A 33 -0.387 5.538 8.274 1.00 0.00 C ATOM 469 OD1 ASP A 33 -1.375 5.260 8.972 1.00 0.00 O ATOM 470 OD2 ASP A 33 0.718 5.812 8.802 1.00 0.00 O ATOM 0 H ASP A 33 -1.629 5.746 4.364 1.00 0.00 H new ATOM 0 HA ASP A 33 -2.325 6.643 7.011 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -0.935 4.571 6.417 1.00 0.00 H new ATOM 0 HB3 ASP A 33 0.417 5.676 6.269 1.00 0.00 H new ATOM 475 N CYS A 34 -0.646 8.628 5.094 1.00 0.00 N ATOM 476 CA CYS A 34 -0.139 9.934 4.957 1.00 0.00 C ATOM 477 C CYS A 34 -1.235 10.976 5.108 1.00 0.00 C ATOM 478 O CYS A 34 -0.998 12.043 5.640 1.00 0.00 O ATOM 479 CB CYS A 34 0.521 10.106 3.606 1.00 0.00 C ATOM 480 SG CYS A 34 2.270 9.702 3.473 1.00 0.00 S ATOM 0 H CYS A 34 -0.855 8.172 4.206 1.00 0.00 H new ATOM 0 HA CYS A 34 0.595 10.080 5.749 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -0.021 9.491 2.887 1.00 0.00 H new ATOM 0 HB3 CYS A 34 0.392 11.144 3.299 1.00 0.00 H new ATOM 0 HG CYS A 34 2.670 9.904 2.253 1.00 0.00 H new ATOM 485 N LYS A 35 -2.430 10.649 4.682 1.00 0.00 N ATOM 486 CA LYS A 35 -3.517 11.635 4.669 1.00 0.00 C ATOM 487 C LYS A 35 -3.995 11.916 6.062 1.00 0.00 C ATOM 488 O LYS A 35 -4.449 13.012 6.368 1.00 0.00 O ATOM 489 CB LYS A 35 -4.696 11.189 3.828 1.00 0.00 C ATOM 490 CG LYS A 35 -5.374 9.949 4.344 1.00 0.00 C ATOM 491 CD LYS A 35 -6.563 9.544 3.540 1.00 0.00 C ATOM 492 CE LYS A 35 -7.663 10.580 3.609 1.00 0.00 C ATOM 493 NZ LYS A 35 -8.916 10.099 3.005 1.00 0.00 N ATOM 0 H LYS A 35 -2.687 9.723 4.341 1.00 0.00 H new ATOM 0 HA LYS A 35 -3.103 12.540 4.224 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -5.425 11.998 3.782 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -4.356 11.008 2.808 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -4.656 9.129 4.354 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -5.683 10.116 5.376 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -6.267 9.396 2.501 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -6.940 8.588 3.903 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -7.843 10.848 4.650 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -7.339 11.486 3.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -9.272 10.809 2.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -8.739 9.205 2.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -9.623 9.943 3.751 1.00 0.00 H new ATOM 762 N PRO A 52 7.692 9.523 -3.182 1.00 0.00 N ATOM 763 CA PRO A 52 7.509 8.194 -2.676 1.00 0.00 C ATOM 764 C PRO A 52 6.721 7.291 -3.608 1.00 0.00 C ATOM 765 O PRO A 52 6.063 7.751 -4.549 1.00 0.00 O ATOM 766 CB PRO A 52 6.736 8.462 -1.396 1.00 0.00 C ATOM 767 CG PRO A 52 5.841 9.573 -1.773 1.00 0.00 C ATOM 768 CD PRO A 52 6.722 10.464 -2.581 1.00 0.00 C ATOM 0 HA PRO A 52 8.451 7.662 -2.546 1.00 0.00 H new ATOM 0 HB2 PRO A 52 6.176 7.585 -1.072 1.00 0.00 H new ATOM 0 HB3 PRO A 52 7.398 8.738 -0.575 1.00 0.00 H new ATOM 0 HG2 PRO A 52 4.986 9.222 -2.350 1.00 0.00 H new ATOM 0 HG3 PRO A 52 5.445 10.086 -0.896 1.00 0.00 H new ATOM 0 HD2 PRO A 52 6.159 11.004 -3.343 1.00 0.00 H new ATOM 0 HD3 PRO A 52 7.217 11.211 -1.961 1.00 0.00 H new ATOM 776 N SER A 53 6.836 6.023 -3.359 1.00 0.00 N ATOM 777 CA SER A 53 6.105 5.009 -4.037 1.00 0.00 C ATOM 778 C SER A 53 4.853 4.717 -3.241 1.00 0.00 C ATOM 779 O SER A 53 4.803 5.032 -2.045 1.00 0.00 O ATOM 780 CB SER A 53 7.007 3.789 -4.135 1.00 0.00 C ATOM 781 OG SER A 53 7.726 3.607 -2.904 1.00 0.00 O ATOM 0 H SER A 53 7.469 5.656 -2.648 1.00 0.00 H new ATOM 0 HA SER A 53 5.806 5.311 -5.041 1.00 0.00 H new ATOM 0 HB2 SER A 53 6.411 2.903 -4.352 1.00 0.00 H new ATOM 0 HB3 SER A 53 7.708 3.911 -4.960 1.00 0.00 H new ATOM 0 HG SER A 53 8.416 2.922 -3.026 1.00 0.00 H new ATOM 787 N VAL A 54 3.858 4.156 -3.865 1.00 0.00 N ATOM 788 CA VAL A 54 2.637 3.874 -3.157 1.00 0.00 C ATOM 789 C VAL A 54 2.292 2.420 -3.292 1.00 0.00 C ATOM 790 O VAL A 54 1.970 1.936 -4.371 1.00 0.00 O ATOM 791 CB VAL A 54 1.435 4.769 -3.583 1.00 0.00 C ATOM 792 CG1 VAL A 54 0.233 4.462 -2.724 1.00 0.00 C ATOM 793 CG2 VAL A 54 1.779 6.237 -3.445 1.00 0.00 C ATOM 0 H VAL A 54 3.863 3.887 -4.849 1.00 0.00 H new ATOM 0 HA VAL A 54 2.824 4.117 -2.111 1.00 0.00 H new ATOM 0 HB VAL A 54 1.209 4.555 -4.628 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -0.602 5.092 -3.029 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -0.041 3.414 -2.843 1.00 0.00 H new ATOM 0 HG13 VAL A 54 0.473 4.658 -1.679 1.00 0.00 H new ATOM 0 HG21 VAL A 54 0.924 6.841 -3.748 1.00 0.00 H new ATOM 0 HG22 VAL A 54 2.028 6.456 -2.407 1.00 0.00 H new ATOM 0 HG23 VAL A 54 2.633 6.472 -4.080 1.00 0.00 H new ATOM 803 N TRP A 55 2.409 1.736 -2.219 1.00 0.00 N ATOM 804 CA TRP A 55 2.131 0.350 -2.170 1.00 0.00 C ATOM 805 C TRP A 55 0.778 0.114 -1.512 1.00 0.00 C ATOM 806 O TRP A 55 0.467 0.680 -0.462 1.00 0.00 O ATOM 807 CB TRP A 55 3.259 -0.411 -1.456 1.00 0.00 C ATOM 808 CG TRP A 55 4.617 -0.305 -2.124 1.00 0.00 C ATOM 809 CD1 TRP A 55 5.482 0.739 -2.045 1.00 0.00 C ATOM 810 CD2 TRP A 55 5.268 -1.293 -2.950 1.00 0.00 C ATOM 811 NE1 TRP A 55 6.623 0.470 -2.760 1.00 0.00 N ATOM 812 CE2 TRP A 55 6.516 -0.767 -3.324 1.00 0.00 C ATOM 813 CE3 TRP A 55 4.919 -2.564 -3.407 1.00 0.00 C ATOM 814 CZ2 TRP A 55 7.415 -1.467 -4.128 1.00 0.00 C ATOM 815 CZ3 TRP A 55 5.809 -3.260 -4.205 1.00 0.00 C ATOM 816 CH2 TRP A 55 7.045 -2.710 -4.557 1.00 0.00 C ATOM 0 H TRP A 55 2.708 2.132 -1.328 1.00 0.00 H new ATOM 0 HA TRP A 55 2.081 -0.039 -3.187 1.00 0.00 H new ATOM 0 HB2 TRP A 55 3.341 -0.038 -0.435 1.00 0.00 H new ATOM 0 HB3 TRP A 55 2.983 -1.463 -1.389 1.00 0.00 H new ATOM 0 HD1 TRP A 55 5.298 1.652 -1.497 1.00 0.00 H new ATOM 0 HE1 TRP A 55 7.423 1.096 -2.854 1.00 0.00 H new ATOM 0 HE3 TRP A 55 3.967 -2.999 -3.141 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 8.369 -1.042 -4.402 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 5.545 -4.244 -4.562 1.00 0.00 H new ATOM 0 HH2 TRP A 55 7.720 -3.278 -5.180 1.00 0.00 H new ATOM 827 N LEU A 56 -0.025 -0.667 -2.158 1.00 0.00 N ATOM 828 CA LEU A 56 -1.333 -0.995 -1.670 1.00 0.00 C ATOM 829 C LEU A 56 -1.337 -2.376 -1.059 1.00 0.00 C ATOM 830 O LEU A 56 -0.953 -3.342 -1.711 1.00 0.00 O ATOM 831 CB LEU A 56 -2.364 -0.979 -2.779 1.00 0.00 C ATOM 832 CG LEU A 56 -3.751 -1.426 -2.333 1.00 0.00 C ATOM 833 CD1 LEU A 56 -4.644 -0.265 -2.010 1.00 0.00 C ATOM 834 CD2 LEU A 56 -4.368 -2.374 -3.309 1.00 0.00 C ATOM 0 H LEU A 56 0.208 -1.103 -3.051 1.00 0.00 H new ATOM 0 HA LEU A 56 -1.588 -0.242 -0.925 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -2.431 0.030 -3.186 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -2.025 -1.627 -3.587 1.00 0.00 H new ATOM 0 HG LEU A 56 -3.626 -1.978 -1.401 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -5.621 -0.633 -1.697 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -4.202 0.321 -1.204 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -4.759 0.363 -2.894 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -5.356 -2.669 -2.955 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -4.461 -1.887 -4.280 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -3.738 -3.258 -3.405 1.00 0.00 H new ATOM 846 N CYS A 57 -1.778 -2.458 0.169 1.00 0.00 N ATOM 847 CA CYS A 57 -1.947 -3.712 0.865 1.00 0.00 C ATOM 848 C CYS A 57 -3.007 -4.541 0.142 1.00 0.00 C ATOM 849 O CYS A 57 -4.181 -4.185 0.164 1.00 0.00 O ATOM 850 CB CYS A 57 -2.432 -3.411 2.288 1.00 0.00 C ATOM 851 SG CYS A 57 -2.486 -4.823 3.443 1.00 0.00 S ATOM 0 H CYS A 57 -2.035 -1.643 0.725 1.00 0.00 H new ATOM 0 HA CYS A 57 -1.006 -4.262 0.894 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -1.784 -2.645 2.715 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -3.433 -2.983 2.225 1.00 0.00 H new ATOM 0 HG CYS A 57 -2.335 -4.394 4.661 1.00 0.00 H new ATOM 856 N LEU A 58 -2.600 -5.660 -0.450 1.00 0.00 N ATOM 857 CA LEU A 58 -3.487 -6.572 -1.198 1.00 0.00 C ATOM 858 C LEU A 58 -4.384 -7.318 -0.259 1.00 0.00 C ATOM 859 O LEU A 58 -5.282 -8.053 -0.647 1.00 0.00 O ATOM 860 CB LEU A 58 -2.593 -7.521 -1.952 1.00 0.00 C ATOM 861 CG LEU A 58 -1.988 -6.943 -3.210 1.00 0.00 C ATOM 862 CD1 LEU A 58 -0.676 -7.594 -3.508 1.00 0.00 C ATOM 863 CD2 LEU A 58 -2.928 -7.201 -4.358 1.00 0.00 C ATOM 0 H LEU A 58 -1.629 -5.972 -0.428 1.00 0.00 H new ATOM 0 HA LEU A 58 -4.131 -6.020 -1.883 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -1.788 -7.844 -1.292 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -3.167 -8.410 -2.215 1.00 0.00 H new ATOM 0 HG LEU A 58 -1.829 -5.874 -3.071 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -0.255 -7.165 -4.417 1.00 0.00 H new ATOM 0 HD12 LEU A 58 0.010 -7.428 -2.677 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -0.824 -8.665 -3.647 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -2.505 -6.789 -5.274 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -3.072 -8.275 -4.476 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -3.888 -6.726 -4.156 1.00 0.00 H new ATOM 875 N LYS A 59 -4.117 -7.109 0.963 1.00 0.00 N ATOM 876 CA LYS A 59 -4.832 -7.690 2.024 1.00 0.00 C ATOM 877 C LYS A 59 -6.035 -6.846 2.438 1.00 0.00 C ATOM 878 O LYS A 59 -7.093 -7.384 2.680 1.00 0.00 O ATOM 879 CB LYS A 59 -3.896 -7.924 3.201 1.00 0.00 C ATOM 880 CG LYS A 59 -4.581 -8.428 4.420 1.00 0.00 C ATOM 881 CD LYS A 59 -5.106 -9.839 4.234 1.00 0.00 C ATOM 882 CE LYS A 59 -5.616 -10.408 5.537 1.00 0.00 C ATOM 883 NZ LYS A 59 -6.012 -11.824 5.411 1.00 0.00 N ATOM 0 H LYS A 59 -3.358 -6.500 1.269 1.00 0.00 H new ATOM 0 HA LYS A 59 -5.228 -8.647 1.683 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -3.127 -8.638 2.906 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -3.388 -6.990 3.441 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -3.887 -8.407 5.261 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -5.408 -7.764 4.672 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -5.908 -9.837 3.496 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -4.313 -10.476 3.841 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -4.842 -10.316 6.299 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -6.470 -9.823 5.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -6.226 -12.210 6.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -6.856 -11.896 4.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -5.234 -12.365 4.984 1.00 0.00 H new ATOM 897 N CYS A 60 -5.873 -5.541 2.529 1.00 0.00 N ATOM 898 CA CYS A 60 -6.995 -4.713 3.007 1.00 0.00 C ATOM 899 C CYS A 60 -7.297 -3.474 2.167 1.00 0.00 C ATOM 900 O CYS A 60 -8.307 -2.828 2.393 1.00 0.00 O ATOM 901 CB CYS A 60 -6.768 -4.302 4.443 1.00 0.00 C ATOM 902 SG CYS A 60 -5.443 -3.101 4.645 1.00 0.00 S ATOM 0 H CYS A 60 -5.019 -5.035 2.293 1.00 0.00 H new ATOM 0 HA CYS A 60 -7.872 -5.354 2.913 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -7.691 -3.883 4.843 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -6.538 -5.188 5.034 1.00 0.00 H new ATOM 0 HG CYS A 60 -4.322 -3.620 4.241 1.00 0.00 H new ATOM 907 N GLY A 61 -6.444 -3.131 1.247 1.00 0.00 N ATOM 908 CA GLY A 61 -6.684 -1.942 0.450 1.00 0.00 C ATOM 909 C GLY A 61 -6.128 -0.666 1.091 1.00 0.00 C ATOM 910 O GLY A 61 -6.587 0.429 0.805 1.00 0.00 O ATOM 0 H GLY A 61 -5.588 -3.640 1.025 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -6.233 -2.074 -0.533 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -7.757 -1.826 0.295 1.00 0.00 H new ATOM 914 N HIS A 62 -5.195 -0.835 2.001 1.00 0.00 N ATOM 915 CA HIS A 62 -4.488 0.280 2.633 1.00 0.00 C ATOM 916 C HIS A 62 -3.283 0.696 1.795 1.00 0.00 C ATOM 917 O HIS A 62 -2.401 -0.124 1.534 1.00 0.00 O ATOM 918 CB HIS A 62 -4.004 -0.145 4.029 1.00 0.00 C ATOM 919 CG HIS A 62 -3.182 0.877 4.778 1.00 0.00 C ATOM 920 ND1 HIS A 62 -1.818 1.035 4.616 1.00 0.00 N ATOM 921 CD2 HIS A 62 -3.550 1.761 5.725 1.00 0.00 C ATOM 922 CE1 HIS A 62 -1.409 1.987 5.457 1.00 0.00 C ATOM 923 NE2 HIS A 62 -2.423 2.468 6.159 1.00 0.00 N ATOM 0 H HIS A 62 -4.896 -1.752 2.332 1.00 0.00 H new ATOM 0 HA HIS A 62 -5.173 1.124 2.714 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -4.875 -0.397 4.634 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -3.413 -1.055 3.927 1.00 0.00 H new ATOM 0 HD1 HIS A 62 -1.228 0.515 3.967 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -4.556 1.902 6.092 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -0.386 2.321 5.552 1.00 0.00 H new ATOM 931 N GLN A 63 -3.246 1.944 1.385 1.00 0.00 N ATOM 932 CA GLN A 63 -2.088 2.457 0.690 1.00 0.00 C ATOM 933 C GLN A 63 -1.097 3.054 1.626 1.00 0.00 C ATOM 934 O GLN A 63 -1.430 3.827 2.532 1.00 0.00 O ATOM 935 CB GLN A 63 -2.377 3.464 -0.398 1.00 0.00 C ATOM 936 CG GLN A 63 -3.141 2.933 -1.552 1.00 0.00 C ATOM 937 CD GLN A 63 -4.634 3.113 -1.390 1.00 0.00 C ATOM 938 OE1 GLN A 63 -5.157 3.148 -0.286 1.00 0.00 O ATOM 939 NE2 GLN A 63 -5.320 3.212 -2.479 1.00 0.00 N ATOM 0 H GLN A 63 -3.999 2.618 1.520 1.00 0.00 H new ATOM 0 HA GLN A 63 -1.681 1.570 0.205 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -2.932 4.296 0.035 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -1.431 3.867 -0.761 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -2.814 3.436 -2.462 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -2.917 1.873 -1.675 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -4.849 3.179 -3.383 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -6.333 3.324 -2.435 1.00 0.00 H new ATOM 948 N GLY A 64 0.085 2.670 1.416 1.00 0.00 N ATOM 949 CA GLY A 64 1.167 3.136 2.153 1.00 0.00 C ATOM 950 C GLY A 64 2.296 3.462 1.268 1.00 0.00 C ATOM 951 O GLY A 64 2.485 2.851 0.240 1.00 0.00 O ATOM 0 H GLY A 64 0.336 1.993 0.695 1.00 0.00 H new ATOM 0 HA2 GLY A 64 0.874 4.021 2.719 1.00 0.00 H new ATOM 0 HA3 GLY A 64 1.472 2.381 2.877 1.00 0.00 H new ATOM 955 N CYS A 65 3.026 4.434 1.648 1.00 0.00 N ATOM 956 CA CYS A 65 4.100 4.888 0.868 1.00 0.00 C ATOM 957 C CYS A 65 5.310 4.000 1.109 1.00 0.00 C ATOM 958 O CYS A 65 5.570 3.585 2.258 1.00 0.00 O ATOM 959 CB CYS A 65 4.343 6.368 1.132 1.00 0.00 C ATOM 960 SG CYS A 65 4.585 6.781 2.862 1.00 0.00 S ATOM 0 H CYS A 65 2.892 4.943 2.522 1.00 0.00 H new ATOM 0 HA CYS A 65 3.873 4.811 -0.195 1.00 0.00 H new ATOM 0 HB2 CYS A 65 5.220 6.686 0.569 1.00 0.00 H new ATOM 0 HB3 CYS A 65 3.495 6.937 0.750 1.00 0.00 H new ATOM 0 HG CYS A 65 3.826 7.788 3.178 1.00 0.00 H new ATOM 965 N GLY A 66 5.988 3.673 0.038 1.00 0.00 N ATOM 966 CA GLY A 66 7.075 2.738 0.079 1.00 0.00 C ATOM 967 C GLY A 66 8.382 3.321 0.514 1.00 0.00 C ATOM 968 O GLY A 66 8.428 4.338 1.204 1.00 0.00 O ATOM 0 H GLY A 66 5.798 4.052 -0.890 1.00 0.00 H new ATOM 0 HA2 GLY A 66 6.812 1.925 0.755 1.00 0.00 H new ATOM 0 HA3 GLY A 66 7.199 2.301 -0.912 1.00 0.00 H new ATOM 972 N ARG A 67 9.454 2.727 0.029 1.00 0.00 N ATOM 973 CA ARG A 67 10.816 3.020 0.492 1.00 0.00 C ATOM 974 C ARG A 67 11.316 4.350 -0.005 1.00 0.00 C ATOM 975 O ARG A 67 12.381 4.811 0.376 1.00 0.00 O ATOM 976 CB ARG A 67 11.773 1.919 0.072 1.00 0.00 C ATOM 977 CG ARG A 67 11.203 0.532 0.266 1.00 0.00 C ATOM 978 CD ARG A 67 12.291 -0.494 0.453 1.00 0.00 C ATOM 979 NE ARG A 67 13.032 -0.274 1.703 1.00 0.00 N ATOM 980 CZ ARG A 67 14.374 -0.382 1.840 1.00 0.00 C ATOM 981 NH1 ARG A 67 15.142 -0.649 0.789 1.00 0.00 N ATOM 982 NH2 ARG A 67 14.930 -0.215 3.029 1.00 0.00 N ATOM 0 H ARG A 67 9.415 2.019 -0.705 1.00 0.00 H new ATOM 0 HA ARG A 67 10.775 3.069 1.580 1.00 0.00 H new ATOM 0 HB2 ARG A 67 12.035 2.054 -0.977 1.00 0.00 H new ATOM 0 HB3 ARG A 67 12.696 2.010 0.645 1.00 0.00 H new ATOM 0 HG2 ARG A 67 10.544 0.527 1.134 1.00 0.00 H new ATOM 0 HG3 ARG A 67 10.594 0.264 -0.598 1.00 0.00 H new ATOM 0 HD2 ARG A 67 11.853 -1.492 0.459 1.00 0.00 H new ATOM 0 HD3 ARG A 67 12.980 -0.453 -0.391 1.00 0.00 H new ATOM 0 HE ARG A 67 12.493 -0.020 2.531 1.00 0.00 H new ATOM 0 HH11 ARG A 67 14.721 -0.775 -0.132 1.00 0.00 H new ATOM 0 HH12 ARG A 67 16.153 -0.728 0.903 1.00 0.00 H new ATOM 0 HH21 ARG A 67 14.347 -0.005 3.840 1.00 0.00 H new ATOM 0 HH22 ARG A 67 15.941 -0.296 3.135 1.00 0.00 H new ATOM 996 N ASN A 68 10.546 4.955 -0.847 1.00 0.00 N ATOM 997 CA ASN A 68 10.909 6.209 -1.448 1.00 0.00 C ATOM 998 C ASN A 68 10.333 7.369 -0.651 1.00 0.00 C ATOM 999 O ASN A 68 10.326 8.507 -1.117 1.00 0.00 O ATOM 1000 CB ASN A 68 10.406 6.245 -2.884 1.00 0.00 C ATOM 1001 CG ASN A 68 10.987 5.144 -3.738 1.00 0.00 C ATOM 1002 OD1 ASN A 68 12.120 4.722 -3.565 1.00 0.00 O ATOM 1003 ND2 ASN A 68 10.216 4.667 -4.657 1.00 0.00 N ATOM 0 H ASN A 68 9.639 4.596 -1.144 1.00 0.00 H new ATOM 0 HA ASN A 68 11.995 6.306 -1.447 1.00 0.00 H new ATOM 0 HB2 ASN A 68 9.319 6.163 -2.885 1.00 0.00 H new ATOM 0 HB3 ASN A 68 10.654 7.210 -3.326 1.00 0.00 H new ATOM 0 HD21 ASN A 68 10.548 3.917 -5.263 1.00 0.00 H new ATOM 0 HD22 ASN A 68 9.274 5.040 -4.777 1.00 0.00 H new ATOM 1010 N SER A 69 9.845 7.078 0.542 1.00 0.00 N ATOM 1011 CA SER A 69 9.324 8.094 1.408 1.00 0.00 C ATOM 1012 C SER A 69 10.206 8.141 2.645 1.00 0.00 C ATOM 1013 O SER A 69 11.047 7.241 2.828 1.00 0.00 O ATOM 1014 CB SER A 69 7.892 7.756 1.821 1.00 0.00 C ATOM 1015 OG SER A 69 7.824 6.537 2.534 1.00 0.00 O ATOM 0 H SER A 69 9.803 6.134 0.926 1.00 0.00 H new ATOM 0 HA SER A 69 9.317 9.056 0.895 1.00 0.00 H new ATOM 0 HB2 SER A 69 7.492 8.561 2.438 1.00 0.00 H new ATOM 0 HB3 SER A 69 7.263 7.693 0.933 1.00 0.00 H new ATOM 0 HG SER A 69 7.861 5.787 1.904 1.00 0.00 H new ATOM 1021 N GLN A 70 10.045 9.141 3.484 1.00 0.00 N ATOM 1022 CA GLN A 70 10.794 9.189 4.727 1.00 0.00 C ATOM 1023 C GLN A 70 10.146 8.303 5.797 1.00 0.00 C ATOM 1024 O GLN A 70 10.833 7.689 6.618 1.00 0.00 O ATOM 1025 CB GLN A 70 10.930 10.622 5.238 1.00 0.00 C ATOM 1026 CG GLN A 70 9.613 11.346 5.451 1.00 0.00 C ATOM 1027 CD GLN A 70 9.764 12.699 6.116 1.00 0.00 C ATOM 1028 OE1 GLN A 70 10.654 12.917 6.948 1.00 0.00 O ATOM 1029 NE2 GLN A 70 8.947 13.626 5.717 1.00 0.00 N ATOM 0 H GLN A 70 9.410 9.925 3.334 1.00 0.00 H new ATOM 0 HA GLN A 70 11.793 8.804 4.520 1.00 0.00 H new ATOM 0 HB2 GLN A 70 11.478 10.607 6.180 1.00 0.00 H new ATOM 0 HB3 GLN A 70 11.531 11.191 4.529 1.00 0.00 H new ATOM 0 HG2 GLN A 70 9.120 11.477 4.488 1.00 0.00 H new ATOM 0 HG3 GLN A 70 8.960 10.722 6.061 1.00 0.00 H new ATOM 0 HE21 GLN A 70 8.226 13.409 5.029 1.00 0.00 H new ATOM 0 HE22 GLN A 70 9.027 14.572 6.091 1.00 0.00 H new ATOM 1038 N GLU A 71 8.831 8.226 5.766 1.00 0.00 N ATOM 1039 CA GLU A 71 8.067 7.483 6.778 1.00 0.00 C ATOM 1040 C GLU A 71 7.961 6.000 6.472 1.00 0.00 C ATOM 1041 O GLU A 71 7.953 5.187 7.383 1.00 0.00 O ATOM 1042 CB GLU A 71 6.666 8.075 6.918 1.00 0.00 C ATOM 1043 CG GLU A 71 6.611 9.394 7.666 1.00 0.00 C ATOM 1044 CD GLU A 71 6.890 9.218 9.145 1.00 0.00 C ATOM 1045 OE1 GLU A 71 8.065 9.095 9.537 1.00 0.00 O ATOM 1046 OE2 GLU A 71 5.930 9.155 9.938 1.00 0.00 O ATOM 0 H GLU A 71 8.255 8.669 5.050 1.00 0.00 H new ATOM 0 HA GLU A 71 8.615 7.581 7.715 1.00 0.00 H new ATOM 0 HB2 GLU A 71 6.245 8.219 5.923 1.00 0.00 H new ATOM 0 HB3 GLU A 71 6.030 7.354 7.432 1.00 0.00 H new ATOM 0 HG2 GLU A 71 7.339 10.084 7.239 1.00 0.00 H new ATOM 0 HG3 GLU A 71 5.628 9.846 7.533 1.00 0.00 H new ATOM 1053 N GLN A 72 7.885 5.674 5.189 1.00 0.00 N ATOM 1054 CA GLN A 72 7.750 4.306 4.684 1.00 0.00 C ATOM 1055 C GLN A 72 6.623 3.553 5.420 1.00 0.00 C ATOM 1056 O GLN A 72 6.811 2.469 5.982 1.00 0.00 O ATOM 1057 CB GLN A 72 9.106 3.578 4.704 1.00 0.00 C ATOM 1058 CG GLN A 72 9.205 2.426 3.723 1.00 0.00 C ATOM 1059 CD GLN A 72 10.594 1.821 3.646 1.00 0.00 C ATOM 1060 OE1 GLN A 72 10.777 0.669 3.317 1.00 0.00 O ATOM 1061 NE2 GLN A 72 11.556 2.567 3.976 1.00 0.00 N ATOM 0 H GLN A 72 7.916 6.371 4.445 1.00 0.00 H new ATOM 0 HA GLN A 72 7.446 4.340 3.638 1.00 0.00 H new ATOM 0 HB2 GLN A 72 9.895 4.297 4.484 1.00 0.00 H new ATOM 0 HB3 GLN A 72 9.289 3.201 5.710 1.00 0.00 H new ATOM 0 HG2 GLN A 72 8.494 1.651 4.010 1.00 0.00 H new ATOM 0 HG3 GLN A 72 8.913 2.775 2.733 1.00 0.00 H new ATOM 0 HE21 GLN A 72 11.381 3.534 4.250 1.00 0.00 H new ATOM 0 HE22 GLN A 72 12.509 2.203 3.969 1.00 0.00 H new ATOM 1070 N HIS A 73 5.431 4.169 5.383 1.00 0.00 N ATOM 1071 CA HIS A 73 4.257 3.726 6.058 1.00 0.00 C ATOM 1072 C HIS A 73 3.817 2.302 5.665 1.00 0.00 C ATOM 1073 O HIS A 73 3.100 1.646 6.417 1.00 0.00 O ATOM 1074 CB HIS A 73 3.142 4.709 5.778 1.00 0.00 C ATOM 1075 CG HIS A 73 3.226 6.066 6.464 1.00 0.00 C ATOM 1076 ND1 HIS A 73 2.898 7.206 5.791 1.00 0.00 N ATOM 1077 CD2 HIS A 73 3.475 6.390 7.756 1.00 0.00 C ATOM 1078 CE1 HIS A 73 2.922 8.167 6.643 1.00 0.00 C ATOM 1079 NE2 HIS A 73 3.269 7.743 7.853 1.00 0.00 N ATOM 0 H HIS A 73 5.280 5.026 4.851 1.00 0.00 H new ATOM 0 HA HIS A 73 4.488 3.683 7.122 1.00 0.00 H new ATOM 0 HB2 HIS A 73 3.100 4.876 4.702 1.00 0.00 H new ATOM 0 HB3 HIS A 73 2.200 4.243 6.065 1.00 0.00 H new ATOM 0 HD2 HIS A 73 3.775 5.720 8.548 1.00 0.00 H new ATOM 0 HE1 HIS A 73 2.689 9.194 6.405 1.00 0.00 H new ATOM 0 HE2 HIS A 73 3.364 8.314 8.693 1.00 0.00 H new ATOM 1087 N ALA A 74 4.220 1.853 4.495 1.00 0.00 N ATOM 1088 CA ALA A 74 3.926 0.487 4.055 1.00 0.00 C ATOM 1089 C ALA A 74 4.636 -0.521 4.967 1.00 0.00 C ATOM 1090 O ALA A 74 4.038 -1.512 5.429 1.00 0.00 O ATOM 1091 CB ALA A 74 4.350 0.301 2.605 1.00 0.00 C ATOM 0 H ALA A 74 4.753 2.407 3.824 1.00 0.00 H new ATOM 0 HA ALA A 74 2.852 0.313 4.121 1.00 0.00 H new ATOM 0 HB1 ALA A 74 4.127 -0.718 2.288 1.00 0.00 H new ATOM 0 HB2 ALA A 74 3.807 1.004 1.974 1.00 0.00 H new ATOM 0 HB3 ALA A 74 5.421 0.483 2.513 1.00 0.00 H new ATOM 1097 N LEU A 75 5.863 -0.203 5.332 1.00 0.00 N ATOM 1098 CA LEU A 75 6.650 -1.097 6.164 1.00 0.00 C ATOM 1099 C LEU A 75 6.102 -1.062 7.547 1.00 0.00 C ATOM 1100 O LEU A 75 5.984 -2.077 8.198 1.00 0.00 O ATOM 1101 CB LEU A 75 8.129 -0.733 6.169 1.00 0.00 C ATOM 1102 CG LEU A 75 8.939 -0.963 4.878 1.00 0.00 C ATOM 1103 CD1 LEU A 75 10.071 -1.894 5.139 1.00 0.00 C ATOM 1104 CD2 LEU A 75 8.110 -1.466 3.705 1.00 0.00 C ATOM 0 H LEU A 75 6.336 0.662 5.068 1.00 0.00 H new ATOM 0 HA LEU A 75 6.580 -2.103 5.751 1.00 0.00 H new ATOM 0 HB2 LEU A 75 8.212 0.322 6.431 1.00 0.00 H new ATOM 0 HB3 LEU A 75 8.608 -1.298 6.968 1.00 0.00 H new ATOM 0 HG LEU A 75 9.315 0.017 4.584 1.00 0.00 H new ATOM 0 HD11 LEU A 75 10.635 -2.048 4.219 1.00 0.00 H new ATOM 0 HD12 LEU A 75 10.726 -1.467 5.899 1.00 0.00 H new ATOM 0 HD13 LEU A 75 9.682 -2.850 5.491 1.00 0.00 H new ATOM 0 HD21 LEU A 75 8.754 -1.602 2.836 1.00 0.00 H new ATOM 0 HD22 LEU A 75 7.648 -2.418 3.967 1.00 0.00 H new ATOM 0 HD23 LEU A 75 7.333 -0.739 3.470 1.00 0.00 H new ATOM 1116 N LYS A 76 5.783 0.126 7.990 1.00 0.00 N ATOM 1117 CA LYS A 76 5.073 0.378 9.190 1.00 0.00 C ATOM 1118 C LYS A 76 3.799 -0.460 9.302 1.00 0.00 C ATOM 1119 O LYS A 76 3.515 -1.053 10.358 1.00 0.00 O ATOM 1120 CB LYS A 76 4.738 1.807 9.107 1.00 0.00 C ATOM 1121 CG LYS A 76 3.990 2.293 10.217 1.00 0.00 C ATOM 1122 CD LYS A 76 3.920 3.742 10.107 1.00 0.00 C ATOM 1123 CE LYS A 76 3.101 4.264 11.195 1.00 0.00 C ATOM 1124 NZ LYS A 76 1.649 4.203 10.885 1.00 0.00 N ATOM 0 H LYS A 76 6.030 0.979 7.488 1.00 0.00 H new ATOM 0 HA LYS A 76 5.665 0.118 10.067 1.00 0.00 H new ATOM 0 HB2 LYS A 76 5.661 2.382 9.024 1.00 0.00 H new ATOM 0 HB3 LYS A 76 4.170 1.984 8.194 1.00 0.00 H new ATOM 0 HG2 LYS A 76 2.989 1.862 10.221 1.00 0.00 H new ATOM 0 HG3 LYS A 76 4.466 2.004 11.154 1.00 0.00 H new ATOM 0 HD2 LYS A 76 4.921 4.171 10.150 1.00 0.00 H new ATOM 0 HD3 LYS A 76 3.493 4.026 9.145 1.00 0.00 H new ATOM 0 HE2 LYS A 76 3.301 3.695 12.103 1.00 0.00 H new ATOM 0 HE3 LYS A 76 3.384 5.297 11.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 1.101 4.356 11.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 1.411 4.941 10.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 1.417 3.269 10.490 1.00 0.00 H new ATOM 1138 N HIS A 77 3.069 -0.558 8.207 1.00 0.00 N ATOM 1139 CA HIS A 77 1.822 -1.316 8.171 1.00 0.00 C ATOM 1140 C HIS A 77 2.131 -2.797 8.277 1.00 0.00 C ATOM 1141 O HIS A 77 1.339 -3.574 8.826 1.00 0.00 O ATOM 1142 CB HIS A 77 1.030 -0.979 6.910 1.00 0.00 C ATOM 1143 CG HIS A 77 -0.358 -1.570 6.805 1.00 0.00 C ATOM 1144 ND1 HIS A 77 -1.466 -0.967 7.333 1.00 0.00 N ATOM 1145 CD2 HIS A 77 -0.817 -2.682 6.155 1.00 0.00 C ATOM 1146 CE1 HIS A 77 -2.537 -1.683 6.999 1.00 0.00 C ATOM 1147 NE2 HIS A 77 -2.209 -2.732 6.282 1.00 0.00 N ATOM 0 H HIS A 77 3.317 -0.119 7.320 1.00 0.00 H new ATOM 0 HA HIS A 77 1.196 -1.041 9.020 1.00 0.00 H new ATOM 0 HB2 HIS A 77 0.945 0.105 6.841 1.00 0.00 H new ATOM 0 HB3 HIS A 77 1.607 -1.309 6.046 1.00 0.00 H new ATOM 0 HD1 HIS A 77 -1.471 -0.112 7.889 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -0.206 -3.402 5.631 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -3.549 -1.432 7.282 1.00 0.00 H new ATOM 1155 N TYR A 78 3.271 -3.187 7.772 1.00 0.00 N ATOM 1156 CA TYR A 78 3.714 -4.543 7.942 1.00 0.00 C ATOM 1157 C TYR A 78 4.155 -4.794 9.373 1.00 0.00 C ATOM 1158 O TYR A 78 3.879 -5.855 9.942 1.00 0.00 O ATOM 1159 CB TYR A 78 4.835 -4.864 6.982 1.00 0.00 C ATOM 1160 CG TYR A 78 5.488 -6.212 7.225 1.00 0.00 C ATOM 1161 CD1 TYR A 78 4.770 -7.396 7.093 1.00 0.00 C ATOM 1162 CD2 TYR A 78 6.824 -6.294 7.596 1.00 0.00 C ATOM 1163 CE1 TYR A 78 5.369 -8.615 7.326 1.00 0.00 C ATOM 1164 CE2 TYR A 78 7.427 -7.512 7.827 1.00 0.00 C ATOM 1165 CZ TYR A 78 6.696 -8.668 7.692 1.00 0.00 C ATOM 1166 OH TYR A 78 7.293 -9.883 7.922 1.00 0.00 O ATOM 0 H TYR A 78 3.906 -2.589 7.243 1.00 0.00 H new ATOM 0 HA TYR A 78 2.873 -5.200 7.723 1.00 0.00 H new ATOM 0 HB2 TYR A 78 4.446 -4.838 5.964 1.00 0.00 H new ATOM 0 HB3 TYR A 78 5.595 -4.086 7.053 1.00 0.00 H new ATOM 0 HD1 TYR A 78 3.730 -7.359 6.804 1.00 0.00 H new ATOM 0 HD2 TYR A 78 7.401 -5.387 7.705 1.00 0.00 H new ATOM 0 HE1 TYR A 78 4.799 -9.527 7.222 1.00 0.00 H new ATOM 0 HE2 TYR A 78 8.468 -7.558 8.112 1.00 0.00 H new ATOM 0 HH TYR A 78 8.231 -9.745 8.170 1.00 0.00 H new ATOM 1176 N LEU A 79 4.808 -3.817 9.971 1.00 0.00 N ATOM 1177 CA LEU A 79 5.320 -3.947 11.318 1.00 0.00 C ATOM 1178 C LEU A 79 4.236 -3.716 12.332 1.00 0.00 C ATOM 1179 O LEU A 79 4.463 -3.837 13.533 1.00 0.00 O ATOM 1180 CB LEU A 79 6.473 -2.962 11.553 1.00 0.00 C ATOM 1181 CG LEU A 79 7.665 -3.099 10.609 1.00 0.00 C ATOM 1182 CD1 LEU A 79 8.786 -2.156 11.007 1.00 0.00 C ATOM 1183 CD2 LEU A 79 8.143 -4.536 10.567 1.00 0.00 C ATOM 0 H LEU A 79 4.997 -2.914 9.537 1.00 0.00 H new ATOM 0 HA LEU A 79 5.692 -4.965 11.436 1.00 0.00 H new ATOM 0 HB2 LEU A 79 6.082 -1.948 11.470 1.00 0.00 H new ATOM 0 HB3 LEU A 79 6.828 -3.084 12.576 1.00 0.00 H new ATOM 0 HG LEU A 79 7.344 -2.820 9.606 1.00 0.00 H new ATOM 0 HD11 LEU A 79 9.623 -2.274 10.318 1.00 0.00 H new ATOM 0 HD12 LEU A 79 8.427 -1.128 10.969 1.00 0.00 H new ATOM 0 HD13 LEU A 79 9.115 -2.388 12.020 1.00 0.00 H new ATOM 0 HD21 LEU A 79 8.993 -4.617 9.890 1.00 0.00 H new ATOM 0 HD22 LEU A 79 8.445 -4.849 11.567 1.00 0.00 H new ATOM 0 HD23 LEU A 79 7.336 -5.178 10.214 1.00 0.00 H new ATOM 1195 N THR A 80 3.069 -3.359 11.852 1.00 0.00 N ATOM 1196 CA THR A 80 1.931 -3.192 12.741 1.00 0.00 C ATOM 1197 C THR A 80 1.554 -4.566 13.347 1.00 0.00 C ATOM 1198 O THR A 80 1.462 -5.558 12.612 1.00 0.00 O ATOM 1199 CB THR A 80 0.714 -2.616 11.987 1.00 0.00 C ATOM 1200 OG1 THR A 80 1.044 -1.332 11.431 1.00 0.00 O ATOM 1201 CG2 THR A 80 -0.492 -2.473 12.913 1.00 0.00 C ATOM 0 H THR A 80 2.877 -3.179 10.866 1.00 0.00 H new ATOM 0 HA THR A 80 2.208 -2.492 13.529 1.00 0.00 H new ATOM 0 HB THR A 80 0.456 -3.309 11.187 1.00 0.00 H new ATOM 0 HG1 THR A 80 1.897 -1.392 10.952 1.00 0.00 H new ATOM 0 HG21 THR A 80 -1.334 -2.065 12.354 1.00 0.00 H new ATOM 0 HG22 THR A 80 -0.762 -3.451 13.313 1.00 0.00 H new ATOM 0 HG23 THR A 80 -0.242 -1.801 13.734 1.00 0.00 H new ATOM 1209 N PRO A 81 1.397 -4.662 14.678 1.00 0.00 N ATOM 1210 CA PRO A 81 0.994 -5.894 15.320 1.00 0.00 C ATOM 1211 C PRO A 81 -0.469 -6.170 15.077 1.00 0.00 C ATOM 1212 O PRO A 81 -1.350 -5.344 15.357 1.00 0.00 O ATOM 1213 CB PRO A 81 1.253 -5.660 16.787 1.00 0.00 C ATOM 1214 CG PRO A 81 1.110 -4.209 16.940 1.00 0.00 C ATOM 1215 CD PRO A 81 1.615 -3.592 15.660 1.00 0.00 C ATOM 0 HA PRO A 81 1.538 -6.757 14.935 1.00 0.00 H new ATOM 0 HB2 PRO A 81 0.540 -6.200 17.410 1.00 0.00 H new ATOM 0 HB3 PRO A 81 2.249 -5.997 17.076 1.00 0.00 H new ATOM 0 HG2 PRO A 81 0.069 -3.938 17.117 1.00 0.00 H new ATOM 0 HG3 PRO A 81 1.682 -3.851 17.796 1.00 0.00 H new ATOM 0 HD2 PRO A 81 1.065 -2.687 15.402 1.00 0.00 H new ATOM 0 HD3 PRO A 81 2.667 -3.316 15.731 1.00 0.00 H new ATOM 1223 N ARG A 82 -0.691 -7.279 14.517 1.00 0.00 N ATOM 1224 CA ARG A 82 -2.008 -7.757 14.139 1.00 0.00 C ATOM 1225 C ARG A 82 -2.024 -9.274 14.057 1.00 0.00 C ATOM 1226 O ARG A 82 -0.966 -9.911 14.091 1.00 0.00 O ATOM 1227 CB ARG A 82 -2.489 -7.101 12.830 1.00 0.00 C ATOM 1228 CG ARG A 82 -1.404 -6.915 11.778 1.00 0.00 C ATOM 1229 CD ARG A 82 -1.967 -6.365 10.487 1.00 0.00 C ATOM 1230 NE ARG A 82 -2.773 -5.156 10.708 1.00 0.00 N ATOM 1231 CZ ARG A 82 -2.495 -3.920 10.292 1.00 0.00 C ATOM 1232 NH1 ARG A 82 -1.355 -3.651 9.669 1.00 0.00 N ATOM 1233 NH2 ARG A 82 -3.351 -2.940 10.537 1.00 0.00 N ATOM 0 H ARG A 82 0.055 -7.935 14.284 1.00 0.00 H new ATOM 0 HA ARG A 82 -2.714 -7.463 14.915 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -3.287 -7.710 12.406 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -2.921 -6.128 13.064 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -0.639 -6.238 12.159 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -0.916 -7.871 11.585 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -1.149 -6.136 9.804 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -2.580 -7.127 10.006 1.00 0.00 H new ATOM 0 HE ARG A 82 -3.637 -5.275 11.236 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -0.677 -4.395 9.502 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -1.156 -2.701 9.357 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -4.217 -3.133 11.041 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -3.145 -1.992 10.222 1.00 0.00 H new ATOM 1247 N SER A 83 -3.191 -9.850 13.961 1.00 0.00 N ATOM 1248 CA SER A 83 -3.316 -11.286 13.898 1.00 0.00 C ATOM 1249 C SER A 83 -3.133 -11.776 12.457 1.00 0.00 C ATOM 1250 O SER A 83 -2.567 -12.854 12.220 1.00 0.00 O ATOM 1251 CB SER A 83 -4.654 -11.714 14.489 1.00 0.00 C ATOM 1252 OG SER A 83 -4.788 -11.196 15.814 1.00 0.00 O ATOM 0 H SER A 83 -4.077 -9.345 13.924 1.00 0.00 H new ATOM 0 HA SER A 83 -2.529 -11.748 14.494 1.00 0.00 H new ATOM 0 HB2 SER A 83 -5.470 -11.352 13.863 1.00 0.00 H new ATOM 0 HB3 SER A 83 -4.723 -12.802 14.506 1.00 0.00 H new ATOM 0 HG SER A 83 -5.651 -11.473 16.188 1.00 0.00 H new ATOM 1258 N GLU A 84 -3.604 -10.991 11.503 1.00 0.00 N ATOM 1259 CA GLU A 84 -3.358 -11.277 10.102 1.00 0.00 C ATOM 1260 C GLU A 84 -2.044 -10.651 9.702 1.00 0.00 C ATOM 1261 O GLU A 84 -1.600 -9.694 10.337 1.00 0.00 O ATOM 1262 CB GLU A 84 -4.472 -10.754 9.220 1.00 0.00 C ATOM 1263 CG GLU A 84 -5.775 -11.537 9.329 1.00 0.00 C ATOM 1264 CD GLU A 84 -5.610 -12.978 8.863 1.00 0.00 C ATOM 1265 OE1 GLU A 84 -5.725 -13.246 7.638 1.00 0.00 O ATOM 1266 OE2 GLU A 84 -5.339 -13.859 9.696 1.00 0.00 O ATOM 0 H GLU A 84 -4.158 -10.152 11.674 1.00 0.00 H new ATOM 0 HA GLU A 84 -3.319 -12.358 9.969 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -4.665 -9.712 9.477 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -4.137 -10.770 8.183 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -6.120 -11.527 10.363 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -6.544 -11.048 8.732 1.00 0.00 H new ATOM 1273 N PRO A 85 -1.382 -11.162 8.671 1.00 0.00 N ATOM 1274 CA PRO A 85 -0.090 -10.650 8.289 1.00 0.00 C ATOM 1275 C PRO A 85 -0.137 -9.273 7.601 1.00 0.00 C ATOM 1276 O PRO A 85 0.577 -8.351 8.015 1.00 0.00 O ATOM 1277 CB PRO A 85 0.485 -11.731 7.376 1.00 0.00 C ATOM 1278 CG PRO A 85 -0.705 -12.432 6.813 1.00 0.00 C ATOM 1279 CD PRO A 85 -1.790 -12.327 7.847 1.00 0.00 C ATOM 0 HA PRO A 85 0.529 -10.460 9.166 1.00 0.00 H new ATOM 0 HB2 PRO A 85 1.097 -11.296 6.586 1.00 0.00 H new ATOM 0 HB3 PRO A 85 1.122 -12.419 7.931 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -1.017 -11.974 5.875 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -0.475 -13.475 6.597 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -2.766 -12.170 7.388 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -1.861 -13.235 8.446 1.00 0.00 H new ATOM 1287 N HIS A 86 -1.015 -9.131 6.578 1.00 0.00 N ATOM 1288 CA HIS A 86 -1.110 -7.896 5.762 1.00 0.00 C ATOM 1289 C HIS A 86 0.226 -7.598 5.124 1.00 0.00 C ATOM 1290 O HIS A 86 0.602 -6.455 4.948 1.00 0.00 O ATOM 1291 CB HIS A 86 -1.582 -6.694 6.604 1.00 0.00 C ATOM 1292 CG HIS A 86 -3.014 -6.758 7.005 1.00 0.00 C ATOM 1293 ND1 HIS A 86 -3.656 -7.674 7.772 1.00 0.00 N flip ATOM 1294 CD2 HIS A 86 -3.901 -5.801 6.605 1.00 0.00 C flip ATOM 1295 CE1 HIS A 86 -4.956 -7.280 7.852 1.00 0.00 C flip ATOM 1296 NE2 HIS A 86 -5.065 -6.150 7.137 1.00 0.00 N flip ATOM 0 H HIS A 86 -1.670 -9.861 6.298 1.00 0.00 H new ATOM 0 HA HIS A 86 -1.853 -8.063 4.982 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -0.967 -6.629 7.502 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -1.415 -5.779 6.036 1.00 0.00 H new ATOM 0 HD1 HIS A 86 -3.243 -8.500 8.206 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -3.698 -4.940 5.985 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -5.748 -7.781 8.388 1.00 0.00 H new ATOM 1304 N CYS A 87 0.859 -8.643 4.673 1.00 0.00 N ATOM 1305 CA CYS A 87 2.230 -8.569 4.213 1.00 0.00 C ATOM 1306 C CYS A 87 2.334 -8.492 2.721 1.00 0.00 C ATOM 1307 O CYS A 87 3.415 -8.712 2.148 1.00 0.00 O ATOM 1308 CB CYS A 87 2.962 -9.810 4.680 1.00 0.00 C ATOM 1309 SG CYS A 87 2.088 -11.354 4.321 1.00 0.00 S ATOM 0 H CYS A 87 0.446 -9.573 4.611 1.00 0.00 H new ATOM 0 HA CYS A 87 2.668 -7.659 4.624 1.00 0.00 H new ATOM 0 HB2 CYS A 87 3.944 -9.841 4.207 1.00 0.00 H new ATOM 0 HB3 CYS A 87 3.128 -9.739 5.755 1.00 0.00 H new ATOM 0 HG CYS A 87 1.938 -11.479 3.036 1.00 0.00 H new ATOM 1315 N LEU A 88 1.234 -8.226 2.094 1.00 0.00 N ATOM 1316 CA LEU A 88 1.163 -8.182 0.663 1.00 0.00 C ATOM 1317 C LEU A 88 0.808 -6.844 0.221 1.00 0.00 C ATOM 1318 O LEU A 88 -0.227 -6.309 0.606 1.00 0.00 O ATOM 1319 CB LEU A 88 0.214 -9.221 0.095 1.00 0.00 C ATOM 1320 CG LEU A 88 0.674 -10.635 0.236 1.00 0.00 C ATOM 1321 CD1 LEU A 88 -0.076 -11.567 -0.650 1.00 0.00 C ATOM 1322 CD2 LEU A 88 2.110 -10.765 -0.036 1.00 0.00 C ATOM 0 H LEU A 88 0.349 -8.031 2.562 1.00 0.00 H new ATOM 0 HA LEU A 88 2.152 -8.430 0.277 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -0.753 -9.118 0.588 1.00 0.00 H new ATOM 0 HB3 LEU A 88 0.057 -9.009 -0.963 1.00 0.00 H new ATOM 0 HG LEU A 88 0.476 -10.910 1.272 1.00 0.00 H new ATOM 0 HD11 LEU A 88 0.297 -12.582 -0.509 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -1.136 -11.532 -0.400 1.00 0.00 H new ATOM 0 HD13 LEU A 88 0.062 -11.271 -1.690 1.00 0.00 H new ATOM 0 HD21 LEU A 88 2.409 -11.807 0.076 1.00 0.00 H new ATOM 0 HD22 LEU A 88 2.319 -10.435 -1.054 1.00 0.00 H new ATOM 0 HD23 LEU A 88 2.671 -10.149 0.667 1.00 0.00 H new ATOM 1334 N VAL A 89 1.674 -6.286 -0.562 1.00 0.00 N ATOM 1335 CA VAL A 89 1.458 -4.983 -1.104 1.00 0.00 C ATOM 1336 C VAL A 89 1.803 -4.996 -2.573 1.00 0.00 C ATOM 1337 O VAL A 89 2.674 -5.748 -3.003 1.00 0.00 O ATOM 1338 CB VAL A 89 2.297 -3.880 -0.396 1.00 0.00 C ATOM 1339 CG1 VAL A 89 1.964 -3.761 1.077 1.00 0.00 C ATOM 1340 CG2 VAL A 89 3.776 -4.114 -0.591 1.00 0.00 C ATOM 0 H VAL A 89 2.552 -6.721 -0.844 1.00 0.00 H new ATOM 0 HA VAL A 89 0.407 -4.740 -0.945 1.00 0.00 H new ATOM 0 HB VAL A 89 2.031 -2.932 -0.865 1.00 0.00 H new ATOM 0 HG11 VAL A 89 2.575 -2.978 1.526 1.00 0.00 H new ATOM 0 HG12 VAL A 89 0.910 -3.509 1.193 1.00 0.00 H new ATOM 0 HG13 VAL A 89 2.167 -4.710 1.574 1.00 0.00 H new ATOM 0 HG21 VAL A 89 4.338 -3.329 -0.086 1.00 0.00 H new ATOM 0 HG22 VAL A 89 4.049 -5.083 -0.172 1.00 0.00 H new ATOM 0 HG23 VAL A 89 4.009 -4.100 -1.656 1.00 0.00 H new ATOM 1350 N LEU A 90 1.076 -4.266 -3.340 1.00 0.00 N ATOM 1351 CA LEU A 90 1.389 -4.105 -4.723 1.00 0.00 C ATOM 1352 C LEU A 90 1.810 -2.678 -4.940 1.00 0.00 C ATOM 1353 O LEU A 90 1.413 -1.798 -4.189 1.00 0.00 O ATOM 1354 CB LEU A 90 0.171 -4.499 -5.603 1.00 0.00 C ATOM 1355 CG LEU A 90 -0.991 -3.514 -5.665 1.00 0.00 C ATOM 1356 CD1 LEU A 90 -0.750 -2.473 -6.711 1.00 0.00 C ATOM 1357 CD2 LEU A 90 -2.313 -4.195 -5.893 1.00 0.00 C ATOM 0 H LEU A 90 0.245 -3.761 -3.031 1.00 0.00 H new ATOM 0 HA LEU A 90 2.207 -4.764 -5.015 1.00 0.00 H new ATOM 0 HB2 LEU A 90 0.528 -4.665 -6.619 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -0.213 -5.453 -5.241 1.00 0.00 H new ATOM 0 HG LEU A 90 -1.045 -3.030 -4.690 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -1.592 -1.781 -6.737 1.00 0.00 H new ATOM 0 HD12 LEU A 90 0.162 -1.925 -6.476 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -0.644 -2.953 -7.684 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -3.106 -3.448 -5.929 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -2.284 -4.739 -6.837 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -2.508 -4.892 -5.078 1.00 0.00 H new ATOM 1369 N SER A 91 2.582 -2.445 -5.923 1.00 0.00 N ATOM 1370 CA SER A 91 3.064 -1.130 -6.203 1.00 0.00 C ATOM 1371 C SER A 91 2.142 -0.400 -7.186 1.00 0.00 C ATOM 1372 O SER A 91 1.753 -0.942 -8.208 1.00 0.00 O ATOM 1373 CB SER A 91 4.490 -1.225 -6.757 1.00 0.00 C ATOM 1374 OG SER A 91 4.522 -1.739 -8.058 1.00 0.00 O ATOM 0 H SER A 91 2.909 -3.161 -6.572 1.00 0.00 H new ATOM 0 HA SER A 91 3.074 -0.551 -5.280 1.00 0.00 H new ATOM 0 HB2 SER A 91 4.947 -0.236 -6.748 1.00 0.00 H new ATOM 0 HB3 SER A 91 5.090 -1.859 -6.104 1.00 0.00 H new ATOM 0 HG SER A 91 5.443 -1.727 -8.392 1.00 0.00 H new ATOM 1380 N LEU A 92 1.805 0.824 -6.876 1.00 0.00 N ATOM 1381 CA LEU A 92 1.012 1.668 -7.766 1.00 0.00 C ATOM 1382 C LEU A 92 1.933 2.429 -8.694 1.00 0.00 C ATOM 1383 O LEU A 92 1.537 3.399 -9.357 1.00 0.00 O ATOM 1384 CB LEU A 92 0.162 2.635 -6.946 1.00 0.00 C ATOM 1385 CG LEU A 92 -1.002 2.006 -6.198 1.00 0.00 C ATOM 1386 CD1 LEU A 92 -1.592 2.976 -5.221 1.00 0.00 C ATOM 1387 CD2 LEU A 92 -2.063 1.621 -7.178 1.00 0.00 C ATOM 0 H LEU A 92 2.067 1.276 -6.000 1.00 0.00 H new ATOM 0 HA LEU A 92 0.347 1.043 -8.362 1.00 0.00 H new ATOM 0 HB2 LEU A 92 0.807 3.137 -6.225 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -0.229 3.403 -7.613 1.00 0.00 H new ATOM 0 HG LEU A 92 -0.635 1.132 -5.659 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -2.423 2.504 -4.697 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -0.831 3.274 -4.500 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -1.952 3.856 -5.754 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -2.901 1.169 -6.648 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -2.406 2.508 -7.710 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -1.656 0.905 -7.892 1.00 0.00 H new ATOM 1399 N ASP A 93 3.144 1.948 -8.763 1.00 0.00 N ATOM 1400 CA ASP A 93 4.184 2.560 -9.528 1.00 0.00 C ATOM 1401 C ASP A 93 4.411 1.776 -10.786 1.00 0.00 C ATOM 1402 O ASP A 93 4.273 2.303 -11.893 1.00 0.00 O ATOM 1403 CB ASP A 93 5.486 2.670 -8.706 1.00 0.00 C ATOM 1404 CG ASP A 93 5.398 3.682 -7.573 1.00 0.00 C ATOM 1405 OD1 ASP A 93 4.802 3.381 -6.514 1.00 0.00 O ATOM 1406 OD2 ASP A 93 5.895 4.827 -7.741 1.00 0.00 O ATOM 0 H ASP A 93 3.437 1.101 -8.276 1.00 0.00 H new ATOM 0 HA ASP A 93 3.877 3.572 -9.791 1.00 0.00 H new ATOM 0 HB2 ASP A 93 5.730 1.692 -8.292 1.00 0.00 H new ATOM 0 HB3 ASP A 93 6.304 2.948 -9.370 1.00 0.00 H new ATOM 1411 N ASN A 94 4.740 0.511 -10.636 1.00 0.00 N ATOM 1412 CA ASN A 94 4.984 -0.338 -11.793 1.00 0.00 C ATOM 1413 C ASN A 94 4.135 -1.575 -11.745 1.00 0.00 C ATOM 1414 O ASN A 94 4.177 -2.412 -12.654 1.00 0.00 O ATOM 1415 CB ASN A 94 6.451 -0.721 -11.909 1.00 0.00 C ATOM 1416 CG ASN A 94 6.992 -1.582 -10.780 1.00 0.00 C ATOM 1417 OD1 ASN A 94 6.582 -1.468 -9.625 1.00 0.00 O ATOM 1418 ND2 ASN A 94 7.896 -2.458 -11.107 1.00 0.00 N ATOM 0 H ASN A 94 4.845 0.046 -9.734 1.00 0.00 H new ATOM 0 HA ASN A 94 4.712 0.241 -12.675 1.00 0.00 H new ATOM 0 HB2 ASN A 94 6.597 -1.252 -12.850 1.00 0.00 H new ATOM 0 HB3 ASN A 94 7.044 0.192 -11.963 1.00 0.00 H new ATOM 0 HD21 ASN A 94 8.287 -3.077 -10.397 1.00 0.00 H new ATOM 0 HD22 ASN A 94 8.214 -2.526 -12.074 1.00 0.00 H new ATOM 1425 N TRP A 95 3.359 -1.672 -10.689 1.00 0.00 N ATOM 1426 CA TRP A 95 2.462 -2.783 -10.449 1.00 0.00 C ATOM 1427 C TRP A 95 3.212 -4.092 -10.229 1.00 0.00 C ATOM 1428 O TRP A 95 3.212 -4.989 -11.081 1.00 0.00 O ATOM 1429 CB TRP A 95 1.373 -2.900 -11.537 1.00 0.00 C ATOM 1430 CG TRP A 95 0.495 -1.693 -11.592 1.00 0.00 C ATOM 1431 CD1 TRP A 95 0.707 -0.548 -12.300 1.00 0.00 C ATOM 1432 CD2 TRP A 95 -0.723 -1.509 -10.892 1.00 0.00 C ATOM 1433 NE1 TRP A 95 -0.305 0.338 -12.063 1.00 0.00 N ATOM 1434 CE2 TRP A 95 -1.200 -0.229 -11.203 1.00 0.00 C ATOM 1435 CE3 TRP A 95 -1.452 -2.306 -10.030 1.00 0.00 C ATOM 1436 CZ2 TRP A 95 -2.383 0.271 -10.674 1.00 0.00 C ATOM 1437 CZ3 TRP A 95 -2.618 -1.819 -9.505 1.00 0.00 C ATOM 1438 CH2 TRP A 95 -3.077 -0.541 -9.825 1.00 0.00 C ATOM 0 H TRP A 95 3.333 -0.964 -9.955 1.00 0.00 H new ATOM 0 HA TRP A 95 1.940 -2.568 -9.516 1.00 0.00 H new ATOM 0 HB2 TRP A 95 1.847 -3.047 -12.508 1.00 0.00 H new ATOM 0 HB3 TRP A 95 0.763 -3.782 -11.344 1.00 0.00 H new ATOM 0 HD1 TRP A 95 1.550 -0.368 -12.951 1.00 0.00 H new ATOM 0 HE1 TRP A 95 -0.380 1.273 -12.464 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -1.107 -3.297 -9.775 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -2.738 1.260 -10.924 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -3.194 -2.435 -8.830 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -4.001 -0.187 -9.392 1.00 0.00 H new ATOM 1449 N SER A 96 3.965 -4.143 -9.157 1.00 0.00 N ATOM 1450 CA SER A 96 4.570 -5.383 -8.738 1.00 0.00 C ATOM 1451 C SER A 96 3.948 -5.783 -7.452 1.00 0.00 C ATOM 1452 O SER A 96 3.233 -4.995 -6.846 1.00 0.00 O ATOM 1453 CB SER A 96 6.058 -5.252 -8.496 1.00 0.00 C ATOM 1454 OG SER A 96 6.727 -4.715 -9.624 1.00 0.00 O ATOM 0 H SER A 96 4.173 -3.342 -8.560 1.00 0.00 H new ATOM 0 HA SER A 96 4.414 -6.113 -9.532 1.00 0.00 H new ATOM 0 HB2 SER A 96 6.231 -4.611 -7.631 1.00 0.00 H new ATOM 0 HB3 SER A 96 6.475 -6.230 -8.257 1.00 0.00 H new ATOM 0 HG SER A 96 7.696 -4.790 -9.496 1.00 0.00 H new ATOM 1460 N VAL A 97 4.218 -6.965 -7.026 1.00 0.00 N ATOM 1461 CA VAL A 97 3.760 -7.402 -5.766 1.00 0.00 C ATOM 1462 C VAL A 97 4.949 -7.657 -4.874 1.00 0.00 C ATOM 1463 O VAL A 97 5.962 -8.176 -5.328 1.00 0.00 O ATOM 1464 CB VAL A 97 2.903 -8.665 -5.900 1.00 0.00 C ATOM 1465 CG1 VAL A 97 2.663 -9.277 -4.579 1.00 0.00 C ATOM 1466 CG2 VAL A 97 1.584 -8.335 -6.483 1.00 0.00 C ATOM 0 H VAL A 97 4.763 -7.653 -7.545 1.00 0.00 H new ATOM 0 HA VAL A 97 3.133 -6.628 -5.325 1.00 0.00 H new ATOM 0 HB VAL A 97 3.445 -9.357 -6.544 1.00 0.00 H new ATOM 0 HG11 VAL A 97 2.053 -10.172 -4.698 1.00 0.00 H new ATOM 0 HG12 VAL A 97 3.616 -9.546 -4.124 1.00 0.00 H new ATOM 0 HG13 VAL A 97 2.143 -8.566 -3.938 1.00 0.00 H new ATOM 0 HG21 VAL A 97 0.988 -9.243 -6.571 1.00 0.00 H new ATOM 0 HG22 VAL A 97 1.069 -7.624 -5.838 1.00 0.00 H new ATOM 0 HG23 VAL A 97 1.723 -7.894 -7.470 1.00 0.00 H new ATOM 1476 N TRP A 98 4.828 -7.298 -3.639 1.00 0.00 N ATOM 1477 CA TRP A 98 5.848 -7.550 -2.704 1.00 0.00 C ATOM 1478 C TRP A 98 5.247 -8.344 -1.581 1.00 0.00 C ATOM 1479 O TRP A 98 4.120 -8.019 -1.102 1.00 0.00 O ATOM 1480 CB TRP A 98 6.478 -6.274 -2.146 1.00 0.00 C ATOM 1481 CG TRP A 98 7.749 -6.594 -1.443 1.00 0.00 C ATOM 1482 CD1 TRP A 98 7.934 -6.808 -0.106 1.00 0.00 C ATOM 1483 CD2 TRP A 98 9.002 -6.802 -2.065 1.00 0.00 C ATOM 1484 NE1 TRP A 98 9.238 -7.156 0.129 1.00 0.00 N ATOM 1485 CE2 TRP A 98 9.914 -7.148 -1.064 1.00 0.00 C ATOM 1486 CE3 TRP A 98 9.442 -6.729 -3.392 1.00 0.00 C ATOM 1487 CZ2 TRP A 98 11.233 -7.427 -1.339 1.00 0.00 C ATOM 1488 CZ3 TRP A 98 10.756 -7.001 -3.667 1.00 0.00 C ATOM 1489 CH2 TRP A 98 11.644 -7.352 -2.646 1.00 0.00 C ATOM 0 H TRP A 98 4.011 -6.820 -3.259 1.00 0.00 H new ATOM 0 HA TRP A 98 6.648 -8.094 -3.207 1.00 0.00 H new ATOM 0 HB2 TRP A 98 6.669 -5.570 -2.956 1.00 0.00 H new ATOM 0 HB3 TRP A 98 5.786 -5.789 -1.458 1.00 0.00 H new ATOM 0 HD1 TRP A 98 7.169 -6.717 0.650 1.00 0.00 H new ATOM 0 HE1 TRP A 98 9.639 -7.383 1.039 1.00 0.00 H new ATOM 0 HE3 TRP A 98 8.758 -6.463 -4.184 1.00 0.00 H new ATOM 0 HZ2 TRP A 98 11.922 -7.696 -0.552 1.00 0.00 H new ATOM 0 HZ3 TRP A 98 11.110 -6.944 -4.686 1.00 0.00 H new ATOM 0 HH2 TRP A 98 12.673 -7.568 -2.891 1.00 0.00 H new ATOM 1500 N CYS A 99 5.945 -9.389 -1.164 1.00 0.00 N ATOM 1501 CA CYS A 99 5.506 -10.162 -0.046 1.00 0.00 C ATOM 1502 C CYS A 99 6.556 -10.063 0.987 1.00 0.00 C ATOM 1503 O CYS A 99 7.650 -10.562 0.792 1.00 0.00 O ATOM 1504 CB CYS A 99 5.217 -11.636 -0.408 1.00 0.00 C ATOM 1505 SG CYS A 99 4.774 -12.690 1.011 1.00 0.00 S ATOM 0 H CYS A 99 6.814 -9.709 -1.591 1.00 0.00 H new ATOM 0 HA CYS A 99 4.557 -9.767 0.316 1.00 0.00 H new ATOM 0 HB2 CYS A 99 4.405 -11.666 -1.134 1.00 0.00 H new ATOM 0 HB3 CYS A 99 6.096 -12.056 -0.896 1.00 0.00 H new ATOM 0 HG CYS A 99 5.364 -13.843 0.897 1.00 0.00 H new ATOM 1510 N TYR A 100 6.231 -9.445 2.085 1.00 0.00 N ATOM 1511 CA TYR A 100 7.226 -9.179 3.120 1.00 0.00 C ATOM 1512 C TYR A 100 7.710 -10.448 3.799 1.00 0.00 C ATOM 1513 O TYR A 100 8.841 -10.526 4.242 1.00 0.00 O ATOM 1514 CB TYR A 100 6.690 -8.230 4.171 1.00 0.00 C ATOM 1515 CG TYR A 100 6.329 -6.850 3.688 1.00 0.00 C ATOM 1516 CD1 TYR A 100 7.306 -5.905 3.371 1.00 0.00 C ATOM 1517 CD2 TYR A 100 5.008 -6.485 3.565 1.00 0.00 C ATOM 1518 CE1 TYR A 100 6.957 -4.647 2.943 1.00 0.00 C ATOM 1519 CE2 TYR A 100 4.649 -5.225 3.137 1.00 0.00 C ATOM 1520 CZ TYR A 100 5.629 -4.309 2.826 1.00 0.00 C ATOM 1521 OH TYR A 100 5.282 -3.048 2.402 1.00 0.00 O ATOM 0 H TYR A 100 5.292 -9.111 2.300 1.00 0.00 H new ATOM 0 HA TYR A 100 8.072 -8.718 2.610 1.00 0.00 H new ATOM 0 HB2 TYR A 100 5.805 -8.679 4.621 1.00 0.00 H new ATOM 0 HB3 TYR A 100 7.435 -8.134 4.960 1.00 0.00 H new ATOM 0 HD1 TYR A 100 8.350 -6.166 3.463 1.00 0.00 H new ATOM 0 HD2 TYR A 100 4.237 -7.201 3.809 1.00 0.00 H new ATOM 0 HE1 TYR A 100 7.723 -3.926 2.699 1.00 0.00 H new ATOM 0 HE2 TYR A 100 3.606 -4.958 3.046 1.00 0.00 H new ATOM 0 HH TYR A 100 5.975 -2.702 1.802 1.00 0.00 H new ATOM 1531 N VAL A 101 6.855 -11.443 3.852 1.00 0.00 N ATOM 1532 CA VAL A 101 7.196 -12.695 4.518 1.00 0.00 C ATOM 1533 C VAL A 101 7.942 -13.641 3.545 1.00 0.00 C ATOM 1534 O VAL A 101 8.662 -14.544 3.954 1.00 0.00 O ATOM 1535 CB VAL A 101 5.935 -13.350 5.137 1.00 0.00 C ATOM 1536 CG1 VAL A 101 4.922 -13.594 4.082 1.00 0.00 C ATOM 1537 CG2 VAL A 101 6.253 -14.628 5.904 1.00 0.00 C ATOM 0 H VAL A 101 5.920 -11.418 3.446 1.00 0.00 H new ATOM 0 HA VAL A 101 7.877 -12.484 5.343 1.00 0.00 H new ATOM 0 HB VAL A 101 5.527 -12.652 5.868 1.00 0.00 H new ATOM 0 HG11 VAL A 101 4.039 -14.054 4.525 1.00 0.00 H new ATOM 0 HG12 VAL A 101 4.644 -12.647 3.619 1.00 0.00 H new ATOM 0 HG13 VAL A 101 5.338 -14.260 3.326 1.00 0.00 H new ATOM 0 HG21 VAL A 101 5.333 -15.044 6.316 1.00 0.00 H new ATOM 0 HG22 VAL A 101 6.709 -15.353 5.230 1.00 0.00 H new ATOM 0 HG23 VAL A 101 6.945 -14.403 6.716 1.00 0.00 H new ATOM 1547 N CYS A 102 7.785 -13.395 2.242 1.00 0.00 N ATOM 1548 CA CYS A 102 8.560 -14.123 1.255 1.00 0.00 C ATOM 1549 C CYS A 102 9.874 -13.390 1.097 1.00 0.00 C ATOM 1550 O CYS A 102 10.922 -13.985 0.799 1.00 0.00 O ATOM 1551 CB CYS A 102 7.855 -14.180 -0.096 1.00 0.00 C ATOM 1552 SG CYS A 102 6.692 -15.527 -0.362 1.00 0.00 S ATOM 0 H CYS A 102 7.137 -12.707 1.858 1.00 0.00 H new ATOM 0 HA CYS A 102 8.699 -15.151 1.591 1.00 0.00 H new ATOM 0 HB2 CYS A 102 7.321 -13.240 -0.238 1.00 0.00 H new ATOM 0 HB3 CYS A 102 8.618 -14.234 -0.873 1.00 0.00 H new ATOM 0 HG CYS A 102 5.532 -15.040 -0.688 1.00 0.00 H new ATOM 1557 N ASP A 103 9.779 -12.096 1.344 1.00 0.00 N ATOM 1558 CA ASP A 103 10.879 -11.137 1.272 1.00 0.00 C ATOM 1559 C ASP A 103 11.429 -11.062 -0.150 1.00 0.00 C ATOM 1560 O ASP A 103 12.638 -11.028 -0.395 1.00 0.00 O ATOM 1561 CB ASP A 103 11.956 -11.444 2.331 1.00 0.00 C ATOM 1562 CG ASP A 103 13.068 -10.406 2.400 1.00 0.00 C ATOM 1563 OD1 ASP A 103 12.798 -9.242 2.726 1.00 0.00 O ATOM 1564 OD2 ASP A 103 14.253 -10.764 2.166 1.00 0.00 O ATOM 0 H ASP A 103 8.897 -11.661 1.612 1.00 0.00 H new ATOM 0 HA ASP A 103 10.502 -10.143 1.513 1.00 0.00 H new ATOM 0 HB2 ASP A 103 11.480 -11.517 3.309 1.00 0.00 H new ATOM 0 HB3 ASP A 103 12.395 -12.418 2.117 1.00 0.00 H new ATOM 1569 N ASN A 104 10.520 -11.013 -1.096 1.00 0.00 N ATOM 1570 CA ASN A 104 10.858 -10.893 -2.452 1.00 0.00 C ATOM 1571 C ASN A 104 9.644 -10.318 -3.187 1.00 0.00 C ATOM 1572 O ASN A 104 8.566 -10.066 -2.561 1.00 0.00 O ATOM 1573 CB ASN A 104 11.198 -12.260 -3.031 1.00 0.00 C ATOM 1574 CG ASN A 104 9.991 -13.129 -3.119 1.00 0.00 C ATOM 1575 OD1 ASN A 104 9.277 -12.976 -4.161 1.00 0.00 O flip ATOM 1576 ND2 ASN A 104 9.719 -13.916 -2.259 1.00 0.00 N flip ATOM 0 H ASN A 104 9.517 -11.058 -0.919 1.00 0.00 H new ATOM 0 HA ASN A 104 11.725 -10.243 -2.566 1.00 0.00 H new ATOM 0 HB2 ASN A 104 11.634 -12.139 -4.023 1.00 0.00 H new ATOM 0 HB3 ASN A 104 11.951 -12.743 -2.409 1.00 0.00 H new ATOM 0 HD21 ASN A 104 10.321 -14.005 -1.440 1.00 0.00 H new ATOM 0 HD22 ASN A 104 8.885 -14.498 -2.345 1.00 0.00 H new ATOM 1583 N GLU A 105 9.796 -10.184 -4.498 1.00 0.00 N ATOM 1584 CA GLU A 105 8.769 -9.712 -5.387 1.00 0.00 C ATOM 1585 C GLU A 105 7.957 -10.877 -5.928 1.00 0.00 C ATOM 1586 O GLU A 105 8.540 -11.835 -6.464 1.00 0.00 O ATOM 1587 CB GLU A 105 9.452 -9.083 -6.535 1.00 0.00 C ATOM 1588 CG GLU A 105 8.519 -8.315 -7.395 1.00 0.00 C ATOM 1589 CD GLU A 105 9.198 -7.643 -8.548 1.00 0.00 C ATOM 1590 OE1 GLU A 105 9.953 -6.672 -8.332 1.00 0.00 O ATOM 1591 OE2 GLU A 105 9.018 -8.101 -9.698 1.00 0.00 O ATOM 0 H GLU A 105 10.668 -10.410 -4.976 1.00 0.00 H new ATOM 0 HA GLU A 105 8.109 -9.025 -4.858 1.00 0.00 H new ATOM 0 HB2 GLU A 105 10.235 -8.419 -6.169 1.00 0.00 H new ATOM 0 HB3 GLU A 105 9.940 -9.854 -7.131 1.00 0.00 H new ATOM 0 HG2 GLU A 105 7.750 -8.987 -7.776 1.00 0.00 H new ATOM 0 HG3 GLU A 105 8.014 -7.562 -6.790 1.00 0.00 H new ATOM 1598 N VAL A 106 6.664 -10.797 -5.853 1.00 0.00 N ATOM 1599 CA VAL A 106 5.838 -11.902 -6.266 1.00 0.00 C ATOM 1600 C VAL A 106 5.399 -11.731 -7.711 1.00 0.00 C ATOM 1601 O VAL A 106 5.022 -10.630 -8.133 1.00 0.00 O ATOM 1602 CB VAL A 106 4.596 -12.099 -5.364 1.00 0.00 C ATOM 1603 CG1 VAL A 106 3.937 -13.438 -5.669 1.00 0.00 C ATOM 1604 CG2 VAL A 106 4.982 -12.027 -3.897 1.00 0.00 C ATOM 0 H VAL A 106 6.154 -9.983 -5.511 1.00 0.00 H new ATOM 0 HA VAL A 106 6.453 -12.796 -6.170 1.00 0.00 H new ATOM 0 HB VAL A 106 3.886 -11.298 -5.572 1.00 0.00 H new ATOM 0 HG11 VAL A 106 3.064 -13.568 -5.029 1.00 0.00 H new ATOM 0 HG12 VAL A 106 3.628 -13.462 -6.714 1.00 0.00 H new ATOM 0 HG13 VAL A 106 4.647 -14.244 -5.482 1.00 0.00 H new ATOM 0 HG21 VAL A 106 4.095 -12.168 -3.280 1.00 0.00 H new ATOM 0 HG22 VAL A 106 5.708 -12.809 -3.673 1.00 0.00 H new ATOM 0 HG23 VAL A 106 5.421 -11.052 -3.684 1.00 0.00 H new ATOM 1614 N GLN A 107 5.446 -12.830 -8.443 1.00 0.00 N ATOM 1615 CA GLN A 107 5.059 -12.901 -9.807 1.00 0.00 C ATOM 1616 C GLN A 107 3.807 -13.756 -9.881 1.00 0.00 C ATOM 1617 O GLN A 107 3.782 -14.914 -9.451 1.00 0.00 O ATOM 1618 CB GLN A 107 6.177 -13.463 -10.742 1.00 0.00 C ATOM 1619 CG GLN A 107 6.724 -14.850 -10.373 1.00 0.00 C ATOM 1620 CD GLN A 107 7.948 -14.847 -9.452 1.00 0.00 C ATOM 1621 OE1 GLN A 107 8.166 -13.802 -8.708 1.00 0.00 O flip ATOM 1622 NE2 GLN A 107 8.751 -15.779 -9.486 1.00 0.00 N flip ATOM 0 H GLN A 107 5.770 -13.723 -8.072 1.00 0.00 H new ATOM 0 HA GLN A 107 4.870 -11.891 -10.170 1.00 0.00 H new ATOM 0 HB2 GLN A 107 5.786 -13.506 -11.759 1.00 0.00 H new ATOM 0 HB3 GLN A 107 7.007 -12.756 -10.750 1.00 0.00 H new ATOM 0 HG2 GLN A 107 5.929 -15.420 -9.892 1.00 0.00 H new ATOM 0 HG3 GLN A 107 6.982 -15.377 -11.292 1.00 0.00 H new ATOM 0 HE21 GLN A 107 8.565 -16.591 -10.075 1.00 0.00 H new ATOM 0 HE22 GLN A 107 9.602 -15.739 -8.926 1.00 0.00 H new ATOM 1631 N TYR A 108 2.798 -13.156 -10.345 1.00 0.00 N ATOM 1632 CA TYR A 108 1.479 -13.738 -10.474 1.00 0.00 C ATOM 1633 C TYR A 108 1.195 -14.147 -11.915 1.00 0.00 C ATOM 1634 O TYR A 108 1.341 -15.308 -12.271 1.00 0.00 O ATOM 1635 CB TYR A 108 0.414 -12.765 -9.902 1.00 0.00 C ATOM 1636 CG TYR A 108 0.712 -11.276 -10.131 1.00 0.00 C ATOM 1637 CD1 TYR A 108 1.599 -10.607 -9.309 1.00 0.00 C ATOM 1638 CD2 TYR A 108 0.123 -10.560 -11.160 1.00 0.00 C ATOM 1639 CE1 TYR A 108 1.893 -9.288 -9.495 1.00 0.00 C ATOM 1640 CE2 TYR A 108 0.408 -9.231 -11.361 1.00 0.00 C ATOM 1641 CZ TYR A 108 1.294 -8.593 -10.527 1.00 0.00 C ATOM 1642 OH TYR A 108 1.572 -7.258 -10.724 1.00 0.00 O ATOM 0 H TYR A 108 2.840 -12.191 -10.672 1.00 0.00 H new ATOM 0 HA TYR A 108 1.432 -14.655 -9.887 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -0.551 -13.001 -10.350 1.00 0.00 H new ATOM 0 HB3 TYR A 108 0.319 -12.941 -8.831 1.00 0.00 H new ATOM 0 HD1 TYR A 108 2.071 -11.142 -8.499 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -0.575 -11.057 -11.818 1.00 0.00 H new ATOM 0 HE1 TYR A 108 2.591 -8.790 -8.838 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -0.062 -8.691 -12.170 1.00 0.00 H new ATOM 0 HH TYR A 108 2.543 -7.123 -10.728 1.00 0.00 H new ATOM 1685 N ASN A 112 -3.796 -16.967 -11.140 1.00 0.00 N ATOM 1686 CA ASN A 112 -3.538 -16.896 -9.712 1.00 0.00 C ATOM 1687 C ASN A 112 -4.313 -15.753 -9.129 1.00 0.00 C ATOM 1688 O ASN A 112 -4.340 -14.672 -9.724 1.00 0.00 O ATOM 1689 CB ASN A 112 -2.044 -16.669 -9.421 1.00 0.00 C ATOM 1690 CG ASN A 112 -1.164 -17.832 -9.781 1.00 0.00 C ATOM 1691 OD1 ASN A 112 -0.674 -17.934 -10.903 1.00 0.00 O ATOM 1692 ND2 ASN A 112 -0.938 -18.706 -8.850 1.00 0.00 N ATOM 0 HA ASN A 112 -3.842 -17.843 -9.267 1.00 0.00 H new ATOM 0 HB2 ASN A 112 -1.708 -15.789 -9.970 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -1.921 -16.449 -8.361 1.00 0.00 H new ATOM 0 HD21 ASN A 112 -0.337 -19.508 -9.039 1.00 0.00 H new ATOM 0 HD22 ASN A 112 -1.361 -18.591 -7.929 1.00 0.00 H new ATOM 1699 N GLN A 113 -4.906 -15.983 -7.960 1.00 0.00 N ATOM 1700 CA GLN A 113 -5.736 -15.003 -7.223 1.00 0.00 C ATOM 1701 C GLN A 113 -5.041 -13.642 -7.134 1.00 0.00 C ATOM 1702 O GLN A 113 -5.682 -12.592 -7.211 1.00 0.00 O ATOM 1703 CB GLN A 113 -5.984 -15.517 -5.800 1.00 0.00 C ATOM 1704 CG GLN A 113 -6.718 -14.548 -4.882 1.00 0.00 C ATOM 1705 CD GLN A 113 -6.626 -14.954 -3.422 1.00 0.00 C ATOM 1706 OE1 GLN A 113 -6.590 -13.978 -2.561 1.00 0.00 O flip ATOM 1707 NE2 GLN A 113 -6.549 -16.126 -3.087 1.00 0.00 N flip ATOM 0 H GLN A 113 -4.827 -16.878 -7.477 1.00 0.00 H new ATOM 0 HA GLN A 113 -6.676 -14.884 -7.762 1.00 0.00 H new ATOM 0 HB2 GLN A 113 -6.557 -16.442 -5.859 1.00 0.00 H new ATOM 0 HB3 GLN A 113 -5.024 -15.765 -5.348 1.00 0.00 H new ATOM 0 HG2 GLN A 113 -6.302 -13.548 -5.006 1.00 0.00 H new ATOM 0 HG3 GLN A 113 -7.766 -14.495 -5.177 1.00 0.00 H new ATOM 0 HE21 GLN A 113 -6.581 -16.861 -3.793 1.00 0.00 H new ATOM 0 HE22 GLN A 113 -6.453 -16.369 -2.101 1.00 0.00 H new ATOM 1716 N LEU A 114 -3.734 -13.669 -7.003 1.00 0.00 N ATOM 1717 CA LEU A 114 -2.950 -12.475 -6.891 1.00 0.00 C ATOM 1718 C LEU A 114 -3.023 -11.655 -8.176 1.00 0.00 C ATOM 1719 O LEU A 114 -3.265 -10.458 -8.130 1.00 0.00 O ATOM 1720 CB LEU A 114 -1.514 -12.858 -6.588 1.00 0.00 C ATOM 1721 CG LEU A 114 -0.537 -11.710 -6.430 1.00 0.00 C ATOM 1722 CD1 LEU A 114 -0.979 -10.789 -5.316 1.00 0.00 C ATOM 1723 CD2 LEU A 114 0.831 -12.246 -6.146 1.00 0.00 C ATOM 0 H LEU A 114 -3.188 -14.530 -6.972 1.00 0.00 H new ATOM 0 HA LEU A 114 -3.345 -11.859 -6.083 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -1.502 -13.447 -5.671 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -1.156 -13.506 -7.388 1.00 0.00 H new ATOM 0 HG LEU A 114 -0.511 -11.139 -7.358 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -0.266 -9.970 -5.216 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -1.965 -10.386 -5.547 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -1.025 -11.346 -4.380 1.00 0.00 H new ATOM 0 HD21 LEU A 114 1.530 -11.417 -6.033 1.00 0.00 H new ATOM 0 HD22 LEU A 114 0.809 -12.830 -5.226 1.00 0.00 H new ATOM 0 HD23 LEU A 114 1.152 -12.881 -6.972 1.00 0.00 H new ATOM 1735 N GLY A 115 -2.881 -12.324 -9.312 1.00 0.00 N ATOM 1736 CA GLY A 115 -2.963 -11.652 -10.574 1.00 0.00 C ATOM 1737 C GLY A 115 -4.349 -11.158 -10.812 1.00 0.00 C ATOM 1738 O GLY A 115 -4.529 -10.054 -11.284 1.00 0.00 O ATOM 0 H GLY A 115 -2.709 -13.328 -9.372 1.00 0.00 H new ATOM 0 HA2 GLY A 115 -2.264 -10.816 -10.594 1.00 0.00 H new ATOM 0 HA3 GLY A 115 -2.670 -12.331 -11.374 1.00 0.00 H new ATOM 1742 N GLN A 116 -5.337 -11.981 -10.450 1.00 0.00 N ATOM 1743 CA GLN A 116 -6.752 -11.643 -10.558 1.00 0.00 C ATOM 1744 C GLN A 116 -7.043 -10.358 -9.854 1.00 0.00 C ATOM 1745 O GLN A 116 -7.673 -9.448 -10.406 1.00 0.00 O ATOM 1746 CB GLN A 116 -7.563 -12.693 -9.853 1.00 0.00 C ATOM 1747 CG GLN A 116 -7.282 -14.088 -10.288 1.00 0.00 C ATOM 1748 CD GLN A 116 -7.663 -14.370 -11.699 1.00 0.00 C ATOM 1749 OE1 GLN A 116 -6.872 -14.186 -12.622 1.00 0.00 O ATOM 1750 NE2 GLN A 116 -8.848 -14.837 -11.880 1.00 0.00 N ATOM 0 H GLN A 116 -5.170 -12.912 -10.069 1.00 0.00 H new ATOM 0 HA GLN A 116 -6.998 -11.570 -11.617 1.00 0.00 H new ATOM 0 HB2 GLN A 116 -7.379 -12.617 -8.781 1.00 0.00 H new ATOM 0 HB3 GLN A 116 -8.621 -12.483 -10.011 1.00 0.00 H new ATOM 0 HG2 GLN A 116 -6.218 -14.290 -10.162 1.00 0.00 H new ATOM 0 HG3 GLN A 116 -7.816 -14.777 -9.633 1.00 0.00 H new ATOM 0 HE21 GLN A 116 -9.470 -14.973 -11.083 1.00 0.00 H new ATOM 0 HE22 GLN A 116 -9.166 -15.071 -12.821 1.00 0.00 H new ATOM 1759 N VAL A 117 -6.536 -10.252 -8.644 1.00 0.00 N ATOM 1760 CA VAL A 117 -6.816 -9.105 -7.868 1.00 0.00 C ATOM 1761 C VAL A 117 -6.040 -7.915 -8.343 1.00 0.00 C ATOM 1762 O VAL A 117 -6.594 -6.867 -8.464 1.00 0.00 O ATOM 1763 CB VAL A 117 -6.681 -9.354 -6.376 1.00 0.00 C ATOM 1764 CG1 VAL A 117 -6.549 -8.054 -5.605 1.00 0.00 C ATOM 1765 CG2 VAL A 117 -7.911 -10.068 -5.940 1.00 0.00 C ATOM 0 H VAL A 117 -5.937 -10.947 -8.197 1.00 0.00 H new ATOM 0 HA VAL A 117 -7.869 -8.868 -8.020 1.00 0.00 H new ATOM 0 HB VAL A 117 -5.783 -9.940 -6.180 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -6.454 -8.270 -4.541 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -5.664 -7.517 -5.946 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -7.434 -7.440 -5.773 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -7.856 -10.268 -4.870 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -8.784 -9.450 -6.149 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -7.996 -11.010 -6.481 1.00 0.00 H new ATOM 1775 N VAL A 118 -4.765 -8.081 -8.625 1.00 0.00 N ATOM 1776 CA VAL A 118 -3.962 -6.982 -9.205 1.00 0.00 C ATOM 1777 C VAL A 118 -4.614 -6.443 -10.464 1.00 0.00 C ATOM 1778 O VAL A 118 -4.646 -5.247 -10.682 1.00 0.00 O ATOM 1779 CB VAL A 118 -2.505 -7.408 -9.528 1.00 0.00 C ATOM 1780 CG1 VAL A 118 -1.752 -6.306 -10.284 1.00 0.00 C ATOM 1781 CG2 VAL A 118 -1.753 -7.729 -8.264 1.00 0.00 C ATOM 0 H VAL A 118 -4.251 -8.949 -8.471 1.00 0.00 H new ATOM 0 HA VAL A 118 -3.922 -6.203 -8.444 1.00 0.00 H new ATOM 0 HB VAL A 118 -2.564 -8.295 -10.159 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -0.735 -6.638 -10.494 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -2.265 -6.093 -11.222 1.00 0.00 H new ATOM 0 HG13 VAL A 118 -1.720 -5.403 -9.674 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -0.734 -8.025 -8.512 1.00 0.00 H new ATOM 0 HG22 VAL A 118 -1.729 -6.849 -7.622 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -2.251 -8.546 -7.742 1.00 0.00 H new ATOM 1791 N ASP A 119 -5.190 -7.325 -11.232 1.00 0.00 N ATOM 1792 CA ASP A 119 -5.875 -6.958 -12.474 1.00 0.00 C ATOM 1793 C ASP A 119 -7.101 -6.132 -12.117 1.00 0.00 C ATOM 1794 O ASP A 119 -7.301 -5.017 -12.622 1.00 0.00 O ATOM 1795 CB ASP A 119 -6.305 -8.227 -13.213 1.00 0.00 C ATOM 1796 CG ASP A 119 -6.959 -7.960 -14.541 1.00 0.00 C ATOM 1797 OD1 ASP A 119 -6.235 -7.845 -15.555 1.00 0.00 O ATOM 1798 OD2 ASP A 119 -8.200 -7.907 -14.620 1.00 0.00 O ATOM 0 H ASP A 119 -5.207 -8.324 -11.028 1.00 0.00 H new ATOM 0 HA ASP A 119 -5.210 -6.382 -13.117 1.00 0.00 H new ATOM 0 HB2 ASP A 119 -5.431 -8.860 -13.369 1.00 0.00 H new ATOM 0 HB3 ASP A 119 -6.996 -8.787 -12.583 1.00 0.00 H new ATOM 1803 N TYR A 120 -7.841 -6.639 -11.156 1.00 0.00 N ATOM 1804 CA TYR A 120 -9.054 -6.004 -10.670 1.00 0.00 C ATOM 1805 C TYR A 120 -8.720 -4.624 -10.083 1.00 0.00 C ATOM 1806 O TYR A 120 -9.269 -3.597 -10.476 1.00 0.00 O ATOM 1807 CB TYR A 120 -9.756 -6.934 -9.634 1.00 0.00 C ATOM 1808 CG TYR A 120 -10.620 -6.236 -8.620 1.00 0.00 C ATOM 1809 CD1 TYR A 120 -11.817 -5.645 -8.963 1.00 0.00 C ATOM 1810 CD2 TYR A 120 -10.198 -6.150 -7.304 1.00 0.00 C ATOM 1811 CE1 TYR A 120 -12.568 -4.985 -8.019 1.00 0.00 C ATOM 1812 CE2 TYR A 120 -10.927 -5.491 -6.362 1.00 0.00 C ATOM 1813 CZ TYR A 120 -12.119 -4.902 -6.724 1.00 0.00 C ATOM 1814 OH TYR A 120 -12.861 -4.208 -5.789 1.00 0.00 O ATOM 0 H TYR A 120 -7.618 -7.514 -10.682 1.00 0.00 H new ATOM 0 HA TYR A 120 -9.751 -5.847 -11.494 1.00 0.00 H new ATOM 0 HB2 TYR A 120 -10.370 -7.654 -10.175 1.00 0.00 H new ATOM 0 HB3 TYR A 120 -8.991 -7.502 -9.105 1.00 0.00 H new ATOM 0 HD1 TYR A 120 -12.168 -5.701 -9.983 1.00 0.00 H new ATOM 0 HD2 TYR A 120 -9.267 -6.617 -7.018 1.00 0.00 H new ATOM 0 HE1 TYR A 120 -13.509 -4.533 -8.296 1.00 0.00 H new ATOM 0 HE2 TYR A 120 -10.575 -5.431 -5.343 1.00 0.00 H new ATOM 0 HH TYR A 120 -13.811 -4.257 -6.024 1.00 0.00 H new ATOM 1824 N VAL A 121 -7.754 -4.600 -9.251 1.00 0.00 N ATOM 1825 CA VAL A 121 -7.363 -3.420 -8.544 1.00 0.00 C ATOM 1826 C VAL A 121 -6.739 -2.416 -9.497 1.00 0.00 C ATOM 1827 O VAL A 121 -6.862 -1.205 -9.308 1.00 0.00 O ATOM 1828 CB VAL A 121 -6.390 -3.769 -7.387 1.00 0.00 C ATOM 1829 CG1 VAL A 121 -5.856 -2.551 -6.714 1.00 0.00 C ATOM 1830 CG2 VAL A 121 -7.066 -4.652 -6.374 1.00 0.00 C ATOM 0 H VAL A 121 -7.189 -5.419 -9.027 1.00 0.00 H new ATOM 0 HA VAL A 121 -8.253 -2.968 -8.106 1.00 0.00 H new ATOM 0 HB VAL A 121 -5.549 -4.302 -7.831 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -5.180 -2.846 -5.911 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -5.315 -1.942 -7.439 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -6.682 -1.973 -6.299 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -6.367 -4.885 -5.571 1.00 0.00 H new ATOM 0 HG22 VAL A 121 -7.933 -4.135 -5.962 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -7.389 -5.576 -6.854 1.00 0.00 H new ATOM 1840 N ARG A 122 -6.130 -2.912 -10.535 1.00 0.00 N ATOM 1841 CA ARG A 122 -5.585 -2.069 -11.531 1.00 0.00 C ATOM 1842 C ARG A 122 -6.698 -1.391 -12.261 1.00 0.00 C ATOM 1843 O ARG A 122 -6.596 -0.233 -12.579 1.00 0.00 O ATOM 1844 CB ARG A 122 -4.677 -2.821 -12.468 1.00 0.00 C ATOM 1845 CG ARG A 122 -3.907 -1.918 -13.382 1.00 0.00 C ATOM 1846 CD ARG A 122 -2.714 -2.642 -13.961 1.00 0.00 C ATOM 1847 NE ARG A 122 -3.115 -3.696 -14.896 1.00 0.00 N ATOM 1848 CZ ARG A 122 -2.619 -4.942 -14.911 1.00 0.00 C ATOM 1849 NH1 ARG A 122 -1.707 -5.314 -14.008 1.00 0.00 N ATOM 1850 NH2 ARG A 122 -3.029 -5.806 -15.831 1.00 0.00 N ATOM 0 H ARG A 122 -6.003 -3.910 -10.704 1.00 0.00 H new ATOM 0 HA ARG A 122 -4.963 -1.313 -11.052 1.00 0.00 H new ATOM 0 HB2 ARG A 122 -3.978 -3.421 -11.885 1.00 0.00 H new ATOM 0 HB3 ARG A 122 -5.271 -3.513 -13.065 1.00 0.00 H new ATOM 0 HG2 ARG A 122 -4.554 -1.569 -14.187 1.00 0.00 H new ATOM 0 HG3 ARG A 122 -3.574 -1.036 -12.835 1.00 0.00 H new ATOM 0 HD2 ARG A 122 -2.070 -1.928 -14.474 1.00 0.00 H new ATOM 0 HD3 ARG A 122 -2.127 -3.078 -13.153 1.00 0.00 H new ATOM 0 HE ARG A 122 -3.826 -3.464 -15.589 1.00 0.00 H new ATOM 0 HH11 ARG A 122 -1.386 -4.649 -13.304 1.00 0.00 H new ATOM 0 HH12 ARG A 122 -1.332 -6.263 -14.023 1.00 0.00 H new ATOM 0 HH21 ARG A 122 -3.720 -5.522 -16.525 1.00 0.00 H new ATOM 0 HH22 ARG A 122 -2.653 -6.754 -15.844 1.00 0.00 H new ATOM 1864 N LYS A 123 -7.799 -2.097 -12.454 1.00 0.00 N ATOM 1865 CA LYS A 123 -8.979 -1.513 -13.074 1.00 0.00 C ATOM 1866 C LYS A 123 -9.679 -0.577 -12.121 1.00 0.00 C ATOM 1867 O LYS A 123 -10.463 0.262 -12.520 1.00 0.00 O ATOM 1868 CB LYS A 123 -9.936 -2.603 -13.488 1.00 0.00 C ATOM 1869 CG LYS A 123 -9.287 -3.568 -14.396 1.00 0.00 C ATOM 1870 CD LYS A 123 -10.287 -4.466 -15.070 1.00 0.00 C ATOM 1871 CE LYS A 123 -9.592 -5.464 -15.965 1.00 0.00 C ATOM 1872 NZ LYS A 123 -10.547 -6.359 -16.634 1.00 0.00 N ATOM 0 H LYS A 123 -7.902 -3.077 -12.190 1.00 0.00 H new ATOM 0 HA LYS A 123 -8.657 -0.950 -13.950 1.00 0.00 H new ATOM 0 HB2 LYS A 123 -10.303 -3.123 -12.603 1.00 0.00 H new ATOM 0 HB3 LYS A 123 -10.802 -2.162 -13.981 1.00 0.00 H new ATOM 0 HG2 LYS A 123 -8.717 -3.028 -15.152 1.00 0.00 H new ATOM 0 HG3 LYS A 123 -8.577 -4.174 -13.834 1.00 0.00 H new ATOM 0 HD2 LYS A 123 -10.875 -4.992 -14.318 1.00 0.00 H new ATOM 0 HD3 LYS A 123 -10.983 -3.867 -15.657 1.00 0.00 H new ATOM 0 HE2 LYS A 123 -9.006 -4.933 -16.715 1.00 0.00 H new ATOM 0 HE3 LYS A 123 -8.893 -6.056 -15.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 -10.030 -7.029 -17.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 -11.089 -6.885 -15.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 -11.199 -5.797 -17.218 1.00 0.00 H new ATOM 1886 N GLN A 124 -9.406 -0.757 -10.850 1.00 0.00 N ATOM 1887 CA GLN A 124 -9.967 0.145 -9.835 1.00 0.00 C ATOM 1888 C GLN A 124 -9.251 1.466 -9.880 1.00 0.00 C ATOM 1889 O GLN A 124 -9.857 2.533 -10.006 1.00 0.00 O ATOM 1890 CB GLN A 124 -9.867 -0.384 -8.401 1.00 0.00 C ATOM 1891 CG GLN A 124 -10.673 -1.620 -8.092 1.00 0.00 C ATOM 1892 CD GLN A 124 -11.843 -1.821 -8.987 1.00 0.00 C ATOM 1893 OE1 GLN A 124 -12.941 -1.347 -8.742 1.00 0.00 O ATOM 1894 NE2 GLN A 124 -11.617 -2.565 -10.003 1.00 0.00 N ATOM 0 H GLN A 124 -8.812 -1.501 -10.485 1.00 0.00 H new ATOM 0 HA GLN A 124 -11.025 0.237 -10.082 1.00 0.00 H new ATOM 0 HB2 GLN A 124 -8.820 -0.595 -8.185 1.00 0.00 H new ATOM 0 HB3 GLN A 124 -10.179 0.408 -7.721 1.00 0.00 H new ATOM 0 HG2 GLN A 124 -10.022 -2.492 -8.161 1.00 0.00 H new ATOM 0 HG3 GLN A 124 -11.023 -1.564 -7.061 1.00 0.00 H new ATOM 0 HE21 GLN A 124 -10.681 -2.937 -10.164 1.00 0.00 H new ATOM 0 HE22 GLN A 124 -12.373 -2.786 -10.652 1.00 0.00 H new ATOM 1903 N ALA A 125 -7.944 1.369 -9.794 1.00 0.00 N ATOM 1904 CA ALA A 125 -7.061 2.499 -9.761 1.00 0.00 C ATOM 1905 C ALA A 125 -7.004 3.206 -11.101 1.00 0.00 C ATOM 1906 O ALA A 125 -6.839 4.429 -11.158 1.00 0.00 O ATOM 1907 CB ALA A 125 -5.695 2.051 -9.297 1.00 0.00 C ATOM 0 H ALA A 125 -7.458 0.474 -9.744 1.00 0.00 H new ATOM 0 HA ALA A 125 -7.447 3.231 -9.051 1.00 0.00 H new ATOM 0 HB1 ALA A 125 -5.021 2.907 -9.271 1.00 0.00 H new ATOM 0 HB2 ALA A 125 -5.773 1.620 -8.299 1.00 0.00 H new ATOM 0 HB3 ALA A 125 -5.304 1.302 -9.986 1.00 0.00 H new ATOM 1913 N SER A 126 -7.100 2.446 -12.164 1.00 0.00 N ATOM 1914 CA SER A 126 -7.217 3.021 -13.480 1.00 0.00 C ATOM 1915 C SER A 126 -8.673 3.494 -13.656 1.00 0.00 C ATOM 1916 O SER A 126 -8.990 4.643 -13.268 1.00 0.00 O ATOM 1917 CB SER A 126 -6.819 1.970 -14.549 1.00 0.00 C ATOM 1918 OG SER A 126 -6.665 2.519 -15.855 1.00 0.00 O ATOM 1919 OXT SER A 126 -9.529 2.713 -14.143 1.00 0.00 O ATOM 0 H SER A 126 -7.099 1.426 -12.143 1.00 0.00 H new ATOM 0 HA SER A 126 -6.546 3.872 -13.601 1.00 0.00 H new ATOM 0 HB2 SER A 126 -5.884 1.495 -14.250 1.00 0.00 H new ATOM 0 HB3 SER A 126 -7.578 1.188 -14.579 1.00 0.00 H new ATOM 0 HG SER A 126 -6.413 1.808 -16.481 1.00 0.00 H new