USER MOD reduce.3.24.130724 H: found=0, std=0, add=820, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 819 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 59 ASN :FLIP amide:sc= -1.68 F(o=-3.7!,f=-1.7) USER MOD Set 1.2: A 61 GLN : amide:sc= -0.0109 X(o=-1.7,f=-1.9) USER MOD Set 2.1: A 23 TYR OH : rot 71:sc= 1.38 USER MOD Set 2.2: A 65 SER OG : rot -147:sc= 1.25 USER MOD Set 3.1: A 21 SER OG : rot 76:sc= 0.722 USER MOD Set 3.2: A 29 MET CE :methyl -161:sc= -0.495 (180deg=-1.34) USER MOD Single : A 3 GLN :FLIP amide:sc= -0.0855 F(o=-0.69,f=-0.086) USER MOD Single : A 7 GLN : amide:sc= -0.354 X(o=-0.35,f=-0.15) USER MOD Single : A 13 HIS : no HD1:sc= -0.5 X(o=-0.5,f=-0.75) USER MOD Single : A 14 GLN : amide:sc= 0.662 K(o=0.66,f=0) USER MOD Single : A 17 LYS NZ :NH3+ 162:sc= -0.0456 (180deg=-0.257) USER MOD Single : A 19 LYS NZ :NH3+ 151:sc= 0.763 (180deg=0.0854) USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.253 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 TYR OH : rot -143:sc= 0.192 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 HIS : no HD1:sc= -0.0544 X(o=-0.054,f=0) USER MOD Single : A 41 LYS NZ :NH3+ 169:sc= -0.0246 (180deg=-0.173) USER MOD Single : A 45 ASN : amide:sc= -0.231 X(o=-0.23,f=-0.13) USER MOD Single : A 50 SER OG : rot 180:sc= 0.323 USER MOD Single : A 51 LYS NZ :NH3+ -170:sc=-0.00777 (180deg=-0.141) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 GLN : amide:sc= -3.22! C(o=-3.2!,f=-4.7!) USER MOD Single : A 75 LYS NZ :NH3+ 141:sc= 0.0615 (180deg=-0.724!) USER MOD Single : A 76 GLN : amide:sc= -0.0565 X(o=-0.057,f=-0.48) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ 176:sc= 0.576 (180deg=0.569) USER MOD Single : A 96 TYR OH : rot 150:sc= 0.939 USER MOD Single : A 97 LYS NZ :NH3+ -158:sc= 1.16 (180deg=0.561) USER MOD Single : A 99 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 20 N ASP A 2 -10.982 -8.330 14.379 1.00 34.25 N ATOM 21 CA ASP A 2 -11.054 -9.664 13.763 1.00 25.33 C ATOM 22 C ASP A 2 -9.668 -10.141 13.282 1.00 5.20 C ATOM 23 O ASP A 2 -8.781 -9.329 13.000 1.00 73.34 O ATOM 24 CB ASP A 2 -12.045 -9.643 12.588 1.00 21.15 C ATOM 25 CG ASP A 2 -12.328 -11.032 12.034 1.00 54.22 C ATOM 26 OD1 ASP A 2 -13.201 -11.731 12.589 1.00 52.31 O ATOM 27 OD2 ASP A 2 -11.668 -11.437 11.055 1.00 14.14 O ATOM 0 HA ASP A 2 -11.402 -10.367 14.519 1.00 25.33 H new ATOM 0 HB2 ASP A 2 -12.980 -9.189 12.915 1.00 21.15 H new ATOM 0 HB3 ASP A 2 -11.646 -9.013 11.793 1.00 21.15 H new ATOM 32 N GLN A 3 -9.497 -11.462 13.181 1.00 34.31 N ATOM 33 CA GLN A 3 -8.230 -12.058 12.729 1.00 64.30 C ATOM 34 C GLN A 3 -7.820 -11.549 11.338 1.00 35.03 C ATOM 35 O GLN A 3 -6.638 -11.561 10.985 1.00 3.44 O ATOM 36 CB GLN A 3 -8.333 -13.590 12.719 1.00 75.14 C ATOM 37 CG GLN A 3 -8.628 -14.193 14.091 1.00 15.43 C ATOM 38 CD GLN A 3 -7.568 -13.860 15.133 1.00 53.25 C ATOM 39 OE1 GLN A 3 -6.317 -13.780 14.720 1.00 21.21 O flip ATOM 40 NE2 GLN A 3 -7.869 -13.712 16.313 1.00 2.14 N flip ATOM 0 H GLN A 3 -10.221 -12.144 13.406 1.00 34.31 H new ATOM 0 HA GLN A 3 -7.458 -11.753 13.435 1.00 64.30 H new ATOM 0 HB2 GLN A 3 -9.118 -13.888 12.024 1.00 75.14 H new ATOM 0 HB3 GLN A 3 -7.399 -14.006 12.342 1.00 75.14 H new ATOM 0 HG2 GLN A 3 -9.596 -13.832 14.439 1.00 15.43 H new ATOM 0 HG3 GLN A 3 -8.707 -15.276 13.995 1.00 15.43 H new ATOM 0 HE21 GLN A 3 -8.845 -13.779 16.603 1.00 2.14 H new ATOM 0 HE22 GLN A 3 -7.144 -13.522 17.004 1.00 2.14 H new ATOM 49 N PHE A 4 -8.803 -11.122 10.550 1.00 31.31 N ATOM 50 CA PHE A 4 -8.544 -10.477 9.259 1.00 72.01 C ATOM 51 C PHE A 4 -7.602 -9.277 9.431 1.00 32.14 C ATOM 52 O PHE A 4 -6.543 -9.203 8.804 1.00 43.44 O ATOM 53 CB PHE A 4 -9.869 -10.028 8.625 1.00 2.44 C ATOM 54 CG PHE A 4 -9.705 -9.211 7.366 1.00 11.00 C ATOM 55 CD1 PHE A 4 -9.309 -9.812 6.181 1.00 3.32 C ATOM 56 CD2 PHE A 4 -9.950 -7.842 7.368 1.00 70.44 C ATOM 57 CE1 PHE A 4 -9.159 -9.068 5.027 1.00 23.32 C ATOM 58 CE2 PHE A 4 -9.801 -7.096 6.215 1.00 50.42 C ATOM 59 CZ PHE A 4 -9.405 -7.709 5.044 1.00 43.13 C ATOM 0 H PHE A 4 -9.792 -11.210 10.782 1.00 31.31 H new ATOM 0 HA PHE A 4 -8.060 -11.198 8.600 1.00 72.01 H new ATOM 0 HB2 PHE A 4 -10.468 -10.910 8.397 1.00 2.44 H new ATOM 0 HB3 PHE A 4 -10.428 -9.443 9.355 1.00 2.44 H new ATOM 0 HD1 PHE A 4 -9.116 -10.874 6.160 1.00 3.32 H new ATOM 0 HD2 PHE A 4 -10.260 -7.357 8.281 1.00 70.44 H new ATOM 0 HE1 PHE A 4 -8.849 -9.549 4.111 1.00 23.32 H new ATOM 0 HE2 PHE A 4 -9.994 -6.034 6.230 1.00 50.42 H new ATOM 0 HZ PHE A 4 -9.288 -7.127 4.142 1.00 43.13 H new ATOM 69 N LEU A 5 -7.993 -8.354 10.308 1.00 40.03 N ATOM 70 CA LEU A 5 -7.189 -7.164 10.602 1.00 22.33 C ATOM 71 C LEU A 5 -5.800 -7.548 11.134 1.00 60.41 C ATOM 72 O LEU A 5 -4.787 -6.980 10.729 1.00 14.25 O ATOM 73 CB LEU A 5 -7.911 -6.279 11.629 1.00 1.43 C ATOM 74 CG LEU A 5 -9.307 -5.785 11.208 1.00 14.03 C ATOM 75 CD1 LEU A 5 -9.950 -4.952 12.316 1.00 32.44 C ATOM 76 CD2 LEU A 5 -9.228 -4.988 9.905 1.00 74.22 C ATOM 0 H LEU A 5 -8.867 -8.406 10.831 1.00 40.03 H new ATOM 0 HA LEU A 5 -7.059 -6.610 9.673 1.00 22.33 H new ATOM 0 HB2 LEU A 5 -8.007 -6.837 12.561 1.00 1.43 H new ATOM 0 HB3 LEU A 5 -7.285 -5.412 11.840 1.00 1.43 H new ATOM 0 HG LEU A 5 -9.937 -6.658 11.036 1.00 14.03 H new ATOM 0 HD11 LEU A 5 -10.935 -4.615 11.993 1.00 32.44 H new ATOM 0 HD12 LEU A 5 -10.051 -5.559 13.216 1.00 32.44 H new ATOM 0 HD13 LEU A 5 -9.323 -4.086 12.531 1.00 32.44 H new ATOM 0 HD21 LEU A 5 -10.225 -4.648 9.625 1.00 74.22 H new ATOM 0 HD22 LEU A 5 -8.577 -4.125 10.045 1.00 74.22 H new ATOM 0 HD23 LEU A 5 -8.826 -5.622 9.115 1.00 74.22 H new ATOM 88 N VAL A 6 -5.767 -8.529 12.037 1.00 75.35 N ATOM 89 CA VAL A 6 -4.509 -8.991 12.643 1.00 23.14 C ATOM 90 C VAL A 6 -3.491 -9.441 11.581 1.00 40.22 C ATOM 91 O VAL A 6 -2.321 -9.053 11.621 1.00 42.44 O ATOM 92 CB VAL A 6 -4.760 -10.161 13.630 1.00 43.23 C ATOM 93 CG1 VAL A 6 -3.457 -10.622 14.286 1.00 31.53 C ATOM 94 CG2 VAL A 6 -5.788 -9.763 14.687 1.00 21.55 C ATOM 0 H VAL A 6 -6.596 -9.022 12.368 1.00 75.35 H new ATOM 0 HA VAL A 6 -4.096 -8.140 13.184 1.00 23.14 H new ATOM 0 HB VAL A 6 -5.160 -11.000 13.060 1.00 43.23 H new ATOM 0 HG11 VAL A 6 -3.666 -11.443 14.972 1.00 31.53 H new ATOM 0 HG12 VAL A 6 -2.762 -10.960 13.517 1.00 31.53 H new ATOM 0 HG13 VAL A 6 -3.014 -9.792 14.837 1.00 31.53 H new ATOM 0 HG21 VAL A 6 -5.950 -10.597 15.369 1.00 21.55 H new ATOM 0 HG22 VAL A 6 -5.420 -8.903 15.246 1.00 21.55 H new ATOM 0 HG23 VAL A 6 -6.729 -9.504 14.201 1.00 21.55 H new ATOM 104 N GLN A 7 -3.948 -10.252 10.629 1.00 53.34 N ATOM 105 CA GLN A 7 -3.064 -10.798 9.594 1.00 42.22 C ATOM 106 C GLN A 7 -2.637 -9.742 8.561 1.00 42.34 C ATOM 107 O GLN A 7 -1.448 -9.611 8.263 1.00 72.32 O ATOM 108 CB GLN A 7 -3.735 -11.987 8.894 1.00 53.33 C ATOM 109 CG GLN A 7 -3.934 -13.198 9.801 1.00 53.51 C ATOM 110 CD GLN A 7 -2.627 -13.705 10.394 1.00 23.14 C ATOM 111 OE1 GLN A 7 -1.949 -14.541 9.808 1.00 1.54 O ATOM 112 NE2 GLN A 7 -2.266 -13.207 11.562 1.00 31.53 N ATOM 0 H GLN A 7 -4.921 -10.546 10.550 1.00 53.34 H new ATOM 0 HA GLN A 7 -2.157 -11.136 10.096 1.00 42.22 H new ATOM 0 HB2 GLN A 7 -4.704 -11.670 8.507 1.00 53.33 H new ATOM 0 HB3 GLN A 7 -3.130 -12.281 8.036 1.00 53.33 H new ATOM 0 HG2 GLN A 7 -4.617 -12.934 10.608 1.00 53.51 H new ATOM 0 HG3 GLN A 7 -4.406 -13.999 9.233 1.00 53.51 H new ATOM 0 HE21 GLN A 7 -2.853 -12.512 12.024 1.00 31.53 H new ATOM 0 HE22 GLN A 7 -1.400 -13.517 12.003 1.00 31.53 H new ATOM 121 N ILE A 8 -3.592 -8.985 8.018 1.00 32.24 N ATOM 122 CA ILE A 8 -3.271 -7.985 6.988 1.00 62.23 C ATOM 123 C ILE A 8 -2.257 -6.943 7.500 1.00 11.35 C ATOM 124 O ILE A 8 -1.329 -6.570 6.783 1.00 55.45 O ATOM 125 CB ILE A 8 -4.537 -7.266 6.441 1.00 3.41 C ATOM 126 CG1 ILE A 8 -5.269 -6.498 7.556 1.00 43.34 C ATOM 127 CG2 ILE A 8 -5.475 -8.273 5.767 1.00 42.33 C ATOM 128 CD1 ILE A 8 -6.467 -5.706 7.072 1.00 41.31 C ATOM 0 H ILE A 8 -4.580 -9.040 8.266 1.00 32.24 H new ATOM 0 HA ILE A 8 -2.819 -8.539 6.166 1.00 62.23 H new ATOM 0 HB ILE A 8 -4.216 -6.539 5.695 1.00 3.41 H new ATOM 0 HG12 ILE A 8 -5.597 -7.207 8.316 1.00 43.34 H new ATOM 0 HG13 ILE A 8 -4.566 -5.818 8.037 1.00 43.34 H new ATOM 0 HG21 ILE A 8 -6.356 -7.754 5.390 1.00 42.33 H new ATOM 0 HG22 ILE A 8 -4.956 -8.756 4.939 1.00 42.33 H new ATOM 0 HG23 ILE A 8 -5.781 -9.027 6.492 1.00 42.33 H new ATOM 0 HD11 ILE A 8 -6.929 -5.193 7.916 1.00 41.31 H new ATOM 0 HD12 ILE A 8 -6.144 -4.972 6.334 1.00 41.31 H new ATOM 0 HD13 ILE A 8 -7.191 -6.383 6.618 1.00 41.31 H new ATOM 140 N PHE A 9 -2.422 -6.495 8.749 1.00 32.44 N ATOM 141 CA PHE A 9 -1.472 -5.555 9.358 1.00 32.44 C ATOM 142 C PHE A 9 -0.094 -6.211 9.547 1.00 63.01 C ATOM 143 O PHE A 9 0.943 -5.585 9.319 1.00 34.14 O ATOM 144 CB PHE A 9 -1.996 -5.039 10.710 1.00 22.23 C ATOM 145 CG PHE A 9 -3.302 -4.278 10.626 1.00 0.01 C ATOM 146 CD1 PHE A 9 -3.699 -3.661 9.445 1.00 35.55 C ATOM 147 CD2 PHE A 9 -4.131 -4.175 11.737 1.00 0.32 C ATOM 148 CE1 PHE A 9 -4.892 -2.962 9.376 1.00 41.10 C ATOM 149 CE2 PHE A 9 -5.324 -3.478 11.670 1.00 33.34 C ATOM 150 CZ PHE A 9 -5.704 -2.872 10.489 1.00 44.23 C ATOM 0 H PHE A 9 -3.197 -6.765 9.355 1.00 32.44 H new ATOM 0 HA PHE A 9 -1.366 -4.709 8.679 1.00 32.44 H new ATOM 0 HB2 PHE A 9 -2.126 -5.887 11.383 1.00 22.23 H new ATOM 0 HB3 PHE A 9 -1.241 -4.392 11.155 1.00 22.23 H new ATOM 0 HD1 PHE A 9 -3.069 -3.728 8.570 1.00 35.55 H new ATOM 0 HD2 PHE A 9 -3.840 -4.645 12.665 1.00 0.32 H new ATOM 0 HE1 PHE A 9 -5.187 -2.487 8.452 1.00 41.10 H new ATOM 0 HE2 PHE A 9 -5.958 -3.408 12.541 1.00 33.34 H new ATOM 0 HZ PHE A 9 -6.636 -2.328 10.436 1.00 44.23 H new ATOM 160 N ALA A 10 -0.095 -7.482 9.955 1.00 14.42 N ATOM 161 CA ALA A 10 1.145 -8.245 10.139 1.00 24.32 C ATOM 162 C ALA A 10 1.956 -8.334 8.836 1.00 61.44 C ATOM 163 O ALA A 10 3.186 -8.248 8.849 1.00 24.43 O ATOM 164 CB ALA A 10 0.826 -9.642 10.656 1.00 73.21 C ATOM 0 H ALA A 10 -0.943 -8.008 10.165 1.00 14.42 H new ATOM 0 HA ALA A 10 1.755 -7.718 10.873 1.00 24.32 H new ATOM 0 HB1 ALA A 10 1.752 -10.201 10.789 1.00 73.21 H new ATOM 0 HB2 ALA A 10 0.307 -9.567 11.611 1.00 73.21 H new ATOM 0 HB3 ALA A 10 0.190 -10.160 9.937 1.00 73.21 H new ATOM 170 N VAL A 11 1.261 -8.514 7.713 1.00 24.32 N ATOM 171 CA VAL A 11 1.912 -8.535 6.398 1.00 25.53 C ATOM 172 C VAL A 11 2.556 -7.174 6.085 1.00 71.04 C ATOM 173 O VAL A 11 3.692 -7.102 5.614 1.00 40.33 O ATOM 174 CB VAL A 11 0.905 -8.897 5.274 1.00 53.44 C ATOM 175 CG1 VAL A 11 1.589 -8.919 3.907 1.00 73.14 C ATOM 176 CG2 VAL A 11 0.233 -10.239 5.561 1.00 34.54 C ATOM 0 H VAL A 11 0.250 -8.647 7.685 1.00 24.32 H new ATOM 0 HA VAL A 11 2.687 -9.301 6.434 1.00 25.53 H new ATOM 0 HB VAL A 11 0.136 -8.125 5.253 1.00 53.44 H new ATOM 0 HG11 VAL A 11 0.859 -9.176 3.139 1.00 73.14 H new ATOM 0 HG12 VAL A 11 2.009 -7.936 3.694 1.00 73.14 H new ATOM 0 HG13 VAL A 11 2.387 -9.661 3.911 1.00 73.14 H new ATOM 0 HG21 VAL A 11 -0.469 -10.473 4.761 1.00 34.54 H new ATOM 0 HG22 VAL A 11 0.991 -11.020 5.619 1.00 34.54 H new ATOM 0 HG23 VAL A 11 -0.303 -10.182 6.508 1.00 34.54 H new ATOM 186 N ILE A 12 1.823 -6.098 6.384 1.00 54.02 N ATOM 187 CA ILE A 12 2.303 -4.727 6.156 1.00 73.22 C ATOM 188 C ILE A 12 3.596 -4.432 6.941 1.00 34.44 C ATOM 189 O ILE A 12 4.531 -3.825 6.414 1.00 72.31 O ATOM 190 CB ILE A 12 1.220 -3.692 6.545 1.00 62.24 C ATOM 191 CG1 ILE A 12 -0.053 -3.910 5.710 1.00 32.54 C ATOM 192 CG2 ILE A 12 1.744 -2.270 6.371 1.00 31.24 C ATOM 193 CD1 ILE A 12 -1.202 -3.004 6.094 1.00 20.54 C ATOM 0 H ILE A 12 0.888 -6.148 6.788 1.00 54.02 H new ATOM 0 HA ILE A 12 2.521 -4.643 5.091 1.00 73.22 H new ATOM 0 HB ILE A 12 0.970 -3.833 7.597 1.00 62.24 H new ATOM 0 HG12 ILE A 12 0.184 -3.754 4.658 1.00 32.54 H new ATOM 0 HG13 ILE A 12 -0.371 -4.947 5.815 1.00 32.54 H new ATOM 0 HG21 ILE A 12 0.966 -1.559 6.650 1.00 31.24 H new ATOM 0 HG22 ILE A 12 2.616 -2.123 7.008 1.00 31.24 H new ATOM 0 HG23 ILE A 12 2.025 -2.111 5.330 1.00 31.24 H new ATOM 0 HD11 ILE A 12 -2.062 -3.219 5.460 1.00 20.54 H new ATOM 0 HD12 ILE A 12 -1.468 -3.176 7.137 1.00 20.54 H new ATOM 0 HD13 ILE A 12 -0.905 -1.964 5.962 1.00 20.54 H new ATOM 205 N HIS A 13 3.646 -4.867 8.200 1.00 41.00 N ATOM 206 CA HIS A 13 4.839 -4.673 9.041 1.00 31.53 C ATOM 207 C HIS A 13 6.073 -5.401 8.485 1.00 71.10 C ATOM 208 O HIS A 13 7.201 -5.115 8.888 1.00 54.43 O ATOM 209 CB HIS A 13 4.576 -5.147 10.478 1.00 3.13 C ATOM 210 CG HIS A 13 3.745 -4.199 11.288 1.00 31.31 C ATOM 211 ND1 HIS A 13 4.301 -3.080 11.857 1.00 3.33 N ATOM 212 CD2 HIS A 13 2.427 -4.246 11.602 1.00 62.14 C ATOM 213 CE1 HIS A 13 3.321 -2.474 12.500 1.00 14.00 C ATOM 214 NE2 HIS A 13 2.168 -3.143 12.375 1.00 74.44 N ATOM 0 H HIS A 13 2.880 -5.355 8.664 1.00 41.00 H new ATOM 0 HA HIS A 13 5.048 -3.603 9.038 1.00 31.53 H new ATOM 0 HB2 HIS A 13 4.077 -6.115 10.445 1.00 3.13 H new ATOM 0 HB3 HIS A 13 5.531 -5.298 10.981 1.00 3.13 H new ATOM 0 HD2 HIS A 13 1.719 -5.004 11.302 1.00 62.14 H new ATOM 0 HE1 HIS A 13 3.434 -1.555 13.056 1.00 14.00 H new ATOM 0 HE2 HIS A 13 1.268 -2.882 12.778 1.00 74.44 H new ATOM 222 N GLN A 14 5.861 -6.340 7.567 1.00 72.02 N ATOM 223 CA GLN A 14 6.957 -7.146 7.013 1.00 12.14 C ATOM 224 C GLN A 14 7.326 -6.724 5.579 1.00 71.41 C ATOM 225 O GLN A 14 8.074 -7.426 4.894 1.00 14.33 O ATOM 226 CB GLN A 14 6.570 -8.630 7.060 1.00 34.42 C ATOM 227 CG GLN A 14 6.337 -9.148 8.478 1.00 4.44 C ATOM 228 CD GLN A 14 5.873 -10.594 8.519 1.00 14.21 C ATOM 229 OE1 GLN A 14 6.677 -11.519 8.581 1.00 30.20 O ATOM 230 NE2 GLN A 14 4.574 -10.798 8.489 1.00 42.31 N ATOM 0 H GLN A 14 4.941 -6.565 7.188 1.00 72.02 H new ATOM 0 HA GLN A 14 7.843 -6.977 7.625 1.00 12.14 H new ATOM 0 HB2 GLN A 14 5.665 -8.781 6.472 1.00 34.42 H new ATOM 0 HB3 GLN A 14 7.358 -9.219 6.590 1.00 34.42 H new ATOM 0 HG2 GLN A 14 7.261 -9.053 9.049 1.00 4.44 H new ATOM 0 HG3 GLN A 14 5.593 -8.521 8.969 1.00 4.44 H new ATOM 0 HE21 GLN A 14 3.934 -10.005 8.437 1.00 42.31 H new ATOM 0 HE22 GLN A 14 4.206 -11.749 8.517 1.00 42.31 H new ATOM 239 N ILE A 15 6.813 -5.576 5.133 1.00 54.11 N ATOM 240 CA ILE A 15 7.164 -5.038 3.811 1.00 15.10 C ATOM 241 C ILE A 15 8.587 -4.438 3.814 1.00 21.34 C ATOM 242 O ILE A 15 8.932 -3.643 4.695 1.00 40.21 O ATOM 243 CB ILE A 15 6.156 -3.952 3.353 1.00 40.01 C ATOM 244 CG1 ILE A 15 4.740 -4.541 3.252 1.00 72.20 C ATOM 245 CG2 ILE A 15 6.582 -3.344 2.018 1.00 41.25 C ATOM 246 CD1 ILE A 15 3.688 -3.554 2.786 1.00 54.23 C ATOM 0 H ILE A 15 6.157 -5.001 5.662 1.00 54.11 H new ATOM 0 HA ILE A 15 7.126 -5.873 3.111 1.00 15.10 H new ATOM 0 HB ILE A 15 6.147 -3.158 4.100 1.00 40.01 H new ATOM 0 HG12 ILE A 15 4.759 -5.387 2.564 1.00 72.20 H new ATOM 0 HG13 ILE A 15 4.450 -4.930 4.228 1.00 72.20 H new ATOM 0 HG21 ILE A 15 5.860 -2.585 1.717 1.00 41.25 H new ATOM 0 HG22 ILE A 15 7.566 -2.887 2.124 1.00 41.25 H new ATOM 0 HG23 ILE A 15 6.624 -4.125 1.259 1.00 41.25 H new ATOM 0 HD11 ILE A 15 2.718 -4.050 2.742 1.00 54.23 H new ATOM 0 HD12 ILE A 15 3.638 -2.719 3.485 1.00 54.23 H new ATOM 0 HD13 ILE A 15 3.951 -3.183 1.795 1.00 54.23 H new ATOM 258 N PRO A 16 9.439 -4.825 2.840 1.00 65.21 N ATOM 259 CA PRO A 16 10.805 -4.289 2.705 1.00 30.34 C ATOM 260 C PRO A 16 10.843 -2.842 2.174 1.00 14.21 C ATOM 261 O PRO A 16 9.808 -2.216 1.953 1.00 75.33 O ATOM 262 CB PRO A 16 11.478 -5.247 1.696 1.00 33.12 C ATOM 263 CG PRO A 16 10.525 -6.386 1.526 1.00 64.23 C ATOM 264 CD PRO A 16 9.160 -5.827 1.806 1.00 1.12 C ATOM 0 HA PRO A 16 11.304 -4.241 3.673 1.00 30.34 H new ATOM 0 HB2 PRO A 16 11.665 -4.747 0.746 1.00 33.12 H new ATOM 0 HB3 PRO A 16 12.442 -5.594 2.068 1.00 33.12 H new ATOM 0 HG2 PRO A 16 10.580 -6.794 0.517 1.00 64.23 H new ATOM 0 HG3 PRO A 16 10.762 -7.199 2.212 1.00 64.23 H new ATOM 0 HD2 PRO A 16 8.713 -5.381 0.918 1.00 1.12 H new ATOM 0 HD3 PRO A 16 8.471 -6.594 2.159 1.00 1.12 H new ATOM 272 N LYS A 17 12.052 -2.330 1.956 1.00 62.12 N ATOM 273 CA LYS A 17 12.254 -0.949 1.512 1.00 54.23 C ATOM 274 C LYS A 17 12.038 -0.813 -0.008 1.00 23.11 C ATOM 275 O LYS A 17 12.725 -1.458 -0.807 1.00 2.15 O ATOM 276 CB LYS A 17 13.675 -0.501 1.921 1.00 3.33 C ATOM 277 CG LYS A 17 14.022 0.968 1.639 1.00 3.21 C ATOM 278 CD LYS A 17 14.379 1.216 0.174 1.00 32.15 C ATOM 279 CE LYS A 17 14.991 2.596 -0.035 1.00 52.54 C ATOM 280 NZ LYS A 17 16.312 2.730 0.635 1.00 22.41 N ATOM 0 H LYS A 17 12.917 -2.856 2.081 1.00 62.12 H new ATOM 0 HA LYS A 17 11.519 -0.302 1.991 1.00 54.23 H new ATOM 0 HB2 LYS A 17 13.800 -0.685 2.988 1.00 3.33 H new ATOM 0 HB3 LYS A 17 14.397 -1.131 1.402 1.00 3.33 H new ATOM 0 HG2 LYS A 17 13.175 1.597 1.914 1.00 3.21 H new ATOM 0 HG3 LYS A 17 14.860 1.267 2.269 1.00 3.21 H new ATOM 0 HD2 LYS A 17 15.080 0.453 -0.163 1.00 32.15 H new ATOM 0 HD3 LYS A 17 13.483 1.119 -0.440 1.00 32.15 H new ATOM 0 HE2 LYS A 17 15.106 2.783 -1.103 1.00 52.54 H new ATOM 0 HE3 LYS A 17 14.311 3.356 0.350 1.00 52.54 H new ATOM 0 HZ1 LYS A 17 16.825 3.539 0.232 1.00 22.41 H new ATOM 0 HZ2 LYS A 17 16.171 2.883 1.654 1.00 22.41 H new ATOM 0 HZ3 LYS A 17 16.865 1.862 0.489 1.00 22.41 H new ATOM 294 N GLY A 18 11.072 0.019 -0.399 1.00 11.44 N ATOM 295 CA GLY A 18 10.856 0.329 -1.812 1.00 64.14 C ATOM 296 C GLY A 18 10.083 -0.742 -2.585 1.00 63.20 C ATOM 297 O GLY A 18 10.010 -0.691 -3.815 1.00 31.44 O ATOM 0 H GLY A 18 10.430 0.488 0.240 1.00 11.44 H new ATOM 0 HA2 GLY A 18 10.316 1.273 -1.886 1.00 64.14 H new ATOM 0 HA3 GLY A 18 11.824 0.477 -2.291 1.00 64.14 H new ATOM 301 N LYS A 19 9.514 -1.717 -1.881 1.00 2.02 N ATOM 302 CA LYS A 19 8.717 -2.772 -2.522 1.00 35.33 C ATOM 303 C LYS A 19 7.276 -2.774 -1.993 1.00 50.13 C ATOM 304 O LYS A 19 6.999 -3.307 -0.922 1.00 13.20 O ATOM 305 CB LYS A 19 9.374 -4.146 -2.307 1.00 35.44 C ATOM 306 CG LYS A 19 10.733 -4.291 -2.988 1.00 34.54 C ATOM 307 CD LYS A 19 10.626 -4.120 -4.504 1.00 14.13 C ATOM 308 CE LYS A 19 11.982 -4.258 -5.188 1.00 53.21 C ATOM 309 NZ LYS A 19 11.879 -4.118 -6.666 1.00 20.34 N ATOM 0 H LYS A 19 9.587 -1.803 -0.867 1.00 2.02 H new ATOM 0 HA LYS A 19 8.681 -2.567 -3.592 1.00 35.33 H new ATOM 0 HB2 LYS A 19 9.494 -4.318 -1.237 1.00 35.44 H new ATOM 0 HB3 LYS A 19 8.705 -4.921 -2.682 1.00 35.44 H new ATOM 0 HG2 LYS A 19 11.423 -3.549 -2.586 1.00 34.54 H new ATOM 0 HG3 LYS A 19 11.151 -5.272 -2.761 1.00 34.54 H new ATOM 0 HD2 LYS A 19 9.939 -4.865 -4.906 1.00 14.13 H new ATOM 0 HD3 LYS A 19 10.203 -3.141 -4.730 1.00 14.13 H new ATOM 0 HE2 LYS A 19 12.663 -3.501 -4.799 1.00 53.21 H new ATOM 0 HE3 LYS A 19 12.413 -5.229 -4.945 1.00 53.21 H new ATOM 0 HZ1 LYS A 19 12.769 -3.733 -7.041 1.00 20.34 H new ATOM 0 HZ2 LYS A 19 11.698 -5.050 -7.091 1.00 20.34 H new ATOM 0 HZ3 LYS A 19 11.097 -3.473 -6.900 1.00 20.34 H new ATOM 323 N VAL A 20 6.363 -2.181 -2.758 1.00 55.30 N ATOM 324 CA VAL A 20 4.974 -2.003 -2.319 1.00 12.12 C ATOM 325 C VAL A 20 4.069 -3.169 -2.754 1.00 74.21 C ATOM 326 O VAL A 20 4.497 -4.088 -3.458 1.00 52.11 O ATOM 327 CB VAL A 20 4.387 -0.671 -2.861 1.00 64.15 C ATOM 328 CG1 VAL A 20 5.195 0.523 -2.352 1.00 73.20 C ATOM 329 CG2 VAL A 20 4.332 -0.678 -4.389 1.00 12.32 C ATOM 0 H VAL A 20 6.557 -1.813 -3.689 1.00 55.30 H new ATOM 0 HA VAL A 20 4.997 -1.978 -1.230 1.00 12.12 H new ATOM 0 HB VAL A 20 3.367 -0.576 -2.489 1.00 64.15 H new ATOM 0 HG11 VAL A 20 4.767 1.446 -2.744 1.00 73.20 H new ATOM 0 HG12 VAL A 20 5.167 0.544 -1.263 1.00 73.20 H new ATOM 0 HG13 VAL A 20 6.228 0.432 -2.686 1.00 73.20 H new ATOM 0 HG21 VAL A 20 3.917 0.266 -4.742 1.00 12.32 H new ATOM 0 HG22 VAL A 20 5.338 -0.805 -4.789 1.00 12.32 H new ATOM 0 HG23 VAL A 20 3.701 -1.500 -4.727 1.00 12.32 H new ATOM 339 N SER A 21 2.808 -3.125 -2.327 1.00 34.30 N ATOM 340 CA SER A 21 1.828 -4.157 -2.688 1.00 53.03 C ATOM 341 C SER A 21 0.416 -3.563 -2.818 1.00 4.14 C ATOM 342 O SER A 21 0.212 -2.360 -2.626 1.00 24.25 O ATOM 343 CB SER A 21 1.831 -5.292 -1.652 1.00 74.42 C ATOM 344 OG SER A 21 0.928 -6.328 -2.016 1.00 72.13 O ATOM 0 H SER A 21 2.437 -2.386 -1.730 1.00 34.30 H new ATOM 0 HA SER A 21 2.117 -4.564 -3.657 1.00 53.03 H new ATOM 0 HB2 SER A 21 2.838 -5.700 -1.560 1.00 74.42 H new ATOM 0 HB3 SER A 21 1.557 -4.895 -0.674 1.00 74.42 H new ATOM 0 HG SER A 21 1.315 -6.859 -2.743 1.00 72.13 H new ATOM 350 N THR A 22 -0.558 -4.412 -3.140 1.00 62.32 N ATOM 351 CA THR A 22 -1.945 -3.969 -3.362 1.00 42.32 C ATOM 352 C THR A 22 -2.900 -4.568 -2.324 1.00 33.42 C ATOM 353 O THR A 22 -2.637 -5.635 -1.769 1.00 14.53 O ATOM 354 CB THR A 22 -2.453 -4.355 -4.773 1.00 73.34 C ATOM 355 OG1 THR A 22 -2.616 -5.781 -4.874 1.00 61.05 O ATOM 356 CG2 THR A 22 -1.488 -3.875 -5.851 1.00 1.30 C ATOM 0 H THR A 22 -0.418 -5.416 -3.255 1.00 62.32 H new ATOM 0 HA THR A 22 -1.934 -2.883 -3.266 1.00 42.32 H new ATOM 0 HB THR A 22 -3.417 -3.870 -4.925 1.00 73.34 H new ATOM 0 HG1 THR A 22 -2.939 -6.011 -5.770 1.00 61.05 H new ATOM 0 HG21 THR A 22 -1.868 -4.159 -6.832 1.00 1.30 H new ATOM 0 HG22 THR A 22 -1.394 -2.790 -5.798 1.00 1.30 H new ATOM 0 HG23 THR A 22 -0.511 -4.332 -5.694 1.00 1.30 H new ATOM 364 N TYR A 23 -4.018 -3.885 -2.076 1.00 2.14 N ATOM 365 CA TYR A 23 -5.017 -4.350 -1.099 1.00 64.21 C ATOM 366 C TYR A 23 -5.457 -5.801 -1.368 1.00 3.04 C ATOM 367 O TYR A 23 -5.534 -6.620 -0.448 1.00 55.34 O ATOM 368 CB TYR A 23 -6.239 -3.422 -1.115 1.00 24.21 C ATOM 369 CG TYR A 23 -5.899 -1.979 -0.796 1.00 32.53 C ATOM 370 CD1 TYR A 23 -5.381 -1.634 0.444 1.00 12.43 C ATOM 371 CD2 TYR A 23 -6.075 -0.968 -1.737 1.00 30.21 C ATOM 372 CE1 TYR A 23 -5.054 -0.328 0.745 1.00 34.31 C ATOM 373 CE2 TYR A 23 -5.745 0.343 -1.443 1.00 70.35 C ATOM 374 CZ TYR A 23 -5.235 0.655 -0.200 1.00 41.24 C ATOM 375 OH TYR A 23 -4.895 1.954 0.096 1.00 43.24 O ATOM 0 H TYR A 23 -4.259 -3.007 -2.536 1.00 2.14 H new ATOM 0 HA TYR A 23 -4.549 -4.325 -0.115 1.00 64.21 H new ATOM 0 HB2 TYR A 23 -6.710 -3.469 -2.097 1.00 24.21 H new ATOM 0 HB3 TYR A 23 -6.971 -3.784 -0.393 1.00 24.21 H new ATOM 0 HD1 TYR A 23 -5.231 -2.403 1.188 1.00 12.43 H new ATOM 0 HD2 TYR A 23 -6.475 -1.211 -2.710 1.00 30.21 H new ATOM 0 HE1 TYR A 23 -4.658 -0.079 1.718 1.00 34.31 H new ATOM 0 HE2 TYR A 23 -5.886 1.118 -2.182 1.00 70.35 H new ATOM 0 HH TYR A 23 -3.919 2.034 0.142 1.00 43.24 H new ATOM 385 N GLY A 24 -5.734 -6.114 -2.633 1.00 62.55 N ATOM 386 CA GLY A 24 -6.127 -7.470 -3.001 1.00 3.51 C ATOM 387 C GLY A 24 -5.016 -8.490 -2.777 1.00 25.24 C ATOM 388 O GLY A 24 -5.263 -9.598 -2.292 1.00 14.30 O ATOM 0 H GLY A 24 -5.694 -5.455 -3.411 1.00 62.55 H new ATOM 0 HA2 GLY A 24 -7.002 -7.760 -2.420 1.00 3.51 H new ATOM 0 HA3 GLY A 24 -6.422 -7.486 -4.050 1.00 3.51 H new ATOM 392 N GLU A 25 -3.789 -8.104 -3.119 1.00 23.51 N ATOM 393 CA GLU A 25 -2.618 -8.977 -2.976 1.00 33.23 C ATOM 394 C GLU A 25 -2.318 -9.274 -1.494 1.00 41.32 C ATOM 395 O GLU A 25 -2.004 -10.412 -1.127 1.00 33.40 O ATOM 396 CB GLU A 25 -1.415 -8.308 -3.655 1.00 12.41 C ATOM 397 CG GLU A 25 -0.192 -9.200 -3.822 1.00 15.41 C ATOM 398 CD GLU A 25 0.862 -8.555 -4.709 1.00 0.31 C ATOM 399 OE1 GLU A 25 0.692 -8.577 -5.950 1.00 15.25 O ATOM 400 OE2 GLU A 25 1.846 -7.999 -4.176 1.00 33.43 O ATOM 0 H GLU A 25 -3.575 -7.183 -3.501 1.00 23.51 H new ATOM 0 HA GLU A 25 -2.824 -9.933 -3.457 1.00 33.23 H new ATOM 0 HB2 GLU A 25 -1.723 -7.952 -4.638 1.00 12.41 H new ATOM 0 HB3 GLU A 25 -1.130 -7.431 -3.074 1.00 12.41 H new ATOM 0 HG2 GLU A 25 0.238 -9.414 -2.844 1.00 15.41 H new ATOM 0 HG3 GLU A 25 -0.495 -10.155 -4.253 1.00 15.41 H new ATOM 407 N ILE A 26 -2.429 -8.247 -0.647 1.00 2.34 N ATOM 408 CA ILE A 26 -2.265 -8.402 0.805 1.00 63.54 C ATOM 409 C ILE A 26 -3.290 -9.398 1.372 1.00 31.30 C ATOM 410 O ILE A 26 -2.934 -10.324 2.103 1.00 51.21 O ATOM 411 CB ILE A 26 -2.412 -7.041 1.543 1.00 52.11 C ATOM 412 CG1 ILE A 26 -1.316 -6.058 1.089 1.00 52.01 C ATOM 413 CG2 ILE A 26 -2.367 -7.233 3.060 1.00 22.34 C ATOM 414 CD1 ILE A 26 0.093 -6.501 1.430 1.00 2.01 C ATOM 0 H ILE A 26 -2.633 -7.292 -0.942 1.00 2.34 H new ATOM 0 HA ILE A 26 -1.259 -8.786 0.972 1.00 63.54 H new ATOM 0 HB ILE A 26 -3.383 -6.619 1.284 1.00 52.11 H new ATOM 0 HG12 ILE A 26 -1.391 -5.920 0.010 1.00 52.01 H new ATOM 0 HG13 ILE A 26 -1.501 -5.087 1.548 1.00 52.01 H new ATOM 0 HG21 ILE A 26 -2.472 -6.266 3.552 1.00 22.34 H new ATOM 0 HG22 ILE A 26 -3.182 -7.888 3.368 1.00 22.34 H new ATOM 0 HG23 ILE A 26 -1.415 -7.682 3.342 1.00 22.34 H new ATOM 0 HD11 ILE A 26 0.805 -5.755 1.077 1.00 2.01 H new ATOM 0 HD12 ILE A 26 0.189 -6.611 2.510 1.00 2.01 H new ATOM 0 HD13 ILE A 26 0.300 -7.457 0.949 1.00 2.01 H new ATOM 426 N ALA A 27 -4.565 -9.204 1.019 1.00 54.51 N ATOM 427 CA ALA A 27 -5.641 -10.105 1.456 1.00 32.24 C ATOM 428 C ALA A 27 -5.350 -11.561 1.062 1.00 3.45 C ATOM 429 O ALA A 27 -5.487 -12.476 1.876 1.00 14.25 O ATOM 430 CB ALA A 27 -6.980 -9.660 0.871 1.00 5.54 C ATOM 0 H ALA A 27 -4.879 -8.431 0.432 1.00 54.51 H new ATOM 0 HA ALA A 27 -5.693 -10.054 2.544 1.00 32.24 H new ATOM 0 HB1 ALA A 27 -7.766 -10.338 1.204 1.00 5.54 H new ATOM 0 HB2 ALA A 27 -7.206 -8.648 1.208 1.00 5.54 H new ATOM 0 HB3 ALA A 27 -6.925 -9.676 -0.217 1.00 5.54 H new ATOM 436 N LYS A 28 -4.943 -11.767 -0.190 1.00 25.54 N ATOM 437 CA LYS A 28 -4.596 -13.104 -0.684 1.00 74.30 C ATOM 438 C LYS A 28 -3.469 -13.738 0.150 1.00 21.15 C ATOM 439 O LYS A 28 -3.612 -14.851 0.656 1.00 20.33 O ATOM 440 CB LYS A 28 -4.189 -13.034 -2.162 1.00 14.30 C ATOM 441 CG LYS A 28 -5.332 -12.630 -3.090 1.00 52.02 C ATOM 442 CD LYS A 28 -4.856 -12.396 -4.524 1.00 31.54 C ATOM 443 CE LYS A 28 -4.172 -13.626 -5.113 1.00 12.13 C ATOM 444 NZ LYS A 28 -3.779 -13.412 -6.532 1.00 22.21 N ATOM 0 H LYS A 28 -4.845 -11.026 -0.884 1.00 25.54 H new ATOM 0 HA LYS A 28 -5.479 -13.736 -0.586 1.00 74.30 H new ATOM 0 HB2 LYS A 28 -3.372 -12.320 -2.272 1.00 14.30 H new ATOM 0 HB3 LYS A 28 -3.806 -14.007 -2.472 1.00 14.30 H new ATOM 0 HG2 LYS A 28 -6.095 -13.409 -3.085 1.00 52.02 H new ATOM 0 HG3 LYS A 28 -5.801 -11.722 -2.712 1.00 52.02 H new ATOM 0 HD2 LYS A 28 -5.707 -12.123 -5.147 1.00 31.54 H new ATOM 0 HD3 LYS A 28 -4.164 -11.554 -4.542 1.00 31.54 H new ATOM 0 HE2 LYS A 28 -3.288 -13.868 -4.523 1.00 12.13 H new ATOM 0 HE3 LYS A 28 -4.843 -14.482 -5.047 1.00 12.13 H new ATOM 0 HZ1 LYS A 28 -3.317 -14.269 -6.897 1.00 22.21 H new ATOM 0 HZ2 LYS A 28 -4.626 -13.206 -7.099 1.00 22.21 H new ATOM 0 HZ3 LYS A 28 -3.119 -12.611 -6.592 1.00 22.21 H new ATOM 458 N MET A 29 -2.360 -13.016 0.307 1.00 55.41 N ATOM 459 CA MET A 29 -1.210 -13.515 1.077 1.00 53.13 C ATOM 460 C MET A 29 -1.554 -13.710 2.566 1.00 62.13 C ATOM 461 O MET A 29 -0.984 -14.574 3.236 1.00 43.04 O ATOM 462 CB MET A 29 -0.018 -12.558 0.932 1.00 4.13 C ATOM 463 CG MET A 29 0.515 -12.460 -0.495 1.00 71.02 C ATOM 464 SD MET A 29 1.952 -11.378 -0.638 1.00 1.02 S ATOM 465 CE MET A 29 1.256 -9.805 -0.132 1.00 73.51 C ATOM 0 H MET A 29 -2.229 -12.084 -0.086 1.00 55.41 H new ATOM 0 HA MET A 29 -0.943 -14.490 0.670 1.00 53.13 H new ATOM 0 HB2 MET A 29 -0.316 -11.565 1.269 1.00 4.13 H new ATOM 0 HB3 MET A 29 0.786 -12.889 1.590 1.00 4.13 H new ATOM 0 HG2 MET A 29 0.781 -13.457 -0.847 1.00 71.02 H new ATOM 0 HG3 MET A 29 -0.276 -12.092 -1.148 1.00 71.02 H new ATOM 0 HE1 MET A 29 1.897 -8.995 -0.480 1.00 73.51 H new ATOM 0 HE2 MET A 29 0.261 -9.692 -0.563 1.00 73.51 H new ATOM 0 HE3 MET A 29 1.186 -9.771 0.955 1.00 73.51 H new ATOM 475 N ALA A 30 -2.487 -12.908 3.076 1.00 24.21 N ATOM 476 CA ALA A 30 -2.921 -13.010 4.475 1.00 42.13 C ATOM 477 C ALA A 30 -3.862 -14.206 4.698 1.00 1.41 C ATOM 478 O ALA A 30 -4.089 -14.622 5.837 1.00 13.43 O ATOM 479 CB ALA A 30 -3.599 -11.714 4.906 1.00 62.31 C ATOM 0 H ALA A 30 -2.960 -12.178 2.543 1.00 24.21 H new ATOM 0 HA ALA A 30 -2.034 -13.175 5.087 1.00 42.13 H new ATOM 0 HB1 ALA A 30 -3.918 -11.798 5.945 1.00 62.31 H new ATOM 0 HB2 ALA A 30 -2.897 -10.886 4.808 1.00 62.31 H new ATOM 0 HB3 ALA A 30 -4.468 -11.530 4.274 1.00 62.31 H new ATOM 485 N GLY A 31 -4.406 -14.755 3.610 1.00 51.31 N ATOM 486 CA GLY A 31 -5.316 -15.897 3.712 1.00 71.32 C ATOM 487 C GLY A 31 -6.788 -15.494 3.721 1.00 50.32 C ATOM 488 O GLY A 31 -7.616 -16.140 4.365 1.00 2.20 O ATOM 0 H GLY A 31 -4.235 -14.431 2.658 1.00 51.31 H new ATOM 0 HA2 GLY A 31 -5.136 -16.573 2.876 1.00 71.32 H new ATOM 0 HA3 GLY A 31 -5.092 -16.451 4.623 1.00 71.32 H new ATOM 492 N TYR A 32 -7.122 -14.416 3.008 1.00 13.13 N ATOM 493 CA TYR A 32 -8.512 -13.944 2.900 1.00 72.23 C ATOM 494 C TYR A 32 -8.843 -13.476 1.463 1.00 72.55 C ATOM 495 O TYR A 32 -9.333 -12.358 1.266 1.00 11.50 O ATOM 496 CB TYR A 32 -8.755 -12.789 3.888 1.00 42.22 C ATOM 497 CG TYR A 32 -8.356 -13.102 5.320 1.00 22.32 C ATOM 498 CD1 TYR A 32 -9.211 -13.793 6.173 1.00 63.31 C ATOM 499 CD2 TYR A 32 -7.116 -12.710 5.816 1.00 30.23 C ATOM 500 CE1 TYR A 32 -8.842 -14.078 7.477 1.00 71.52 C ATOM 501 CE2 TYR A 32 -6.743 -12.992 7.115 1.00 42.31 C ATOM 502 CZ TYR A 32 -7.607 -13.675 7.940 1.00 14.14 C ATOM 503 OH TYR A 32 -7.232 -13.951 9.237 1.00 42.14 O ATOM 0 H TYR A 32 -6.448 -13.849 2.493 1.00 13.13 H new ATOM 0 HA TYR A 32 -9.166 -14.781 3.144 1.00 72.23 H new ATOM 0 HB2 TYR A 32 -8.200 -11.914 3.551 1.00 42.22 H new ATOM 0 HB3 TYR A 32 -9.812 -12.523 3.867 1.00 42.22 H new ATOM 0 HD1 TYR A 32 -10.178 -14.112 5.812 1.00 63.31 H new ATOM 0 HD2 TYR A 32 -6.433 -12.175 5.173 1.00 30.23 H new ATOM 0 HE1 TYR A 32 -9.518 -14.613 8.128 1.00 71.52 H new ATOM 0 HE2 TYR A 32 -5.777 -12.678 7.482 1.00 42.31 H new ATOM 0 HH TYR A 32 -6.718 -13.198 9.596 1.00 42.14 H new ATOM 513 N PRO A 33 -8.604 -14.326 0.434 1.00 32.24 N ATOM 514 CA PRO A 33 -8.859 -13.955 -0.971 1.00 14.01 C ATOM 515 C PRO A 33 -10.342 -13.652 -1.242 1.00 45.43 C ATOM 516 O PRO A 33 -11.170 -14.564 -1.338 1.00 0.42 O ATOM 517 CB PRO A 33 -8.397 -15.191 -1.767 1.00 34.24 C ATOM 518 CG PRO A 33 -7.518 -15.948 -0.829 1.00 21.31 C ATOM 519 CD PRO A 33 -8.084 -15.702 0.541 1.00 74.24 C ATOM 0 HA PRO A 33 -8.334 -13.041 -1.248 1.00 14.01 H new ATOM 0 HB2 PRO A 33 -9.246 -15.795 -2.086 1.00 34.24 H new ATOM 0 HB3 PRO A 33 -7.856 -14.901 -2.668 1.00 34.24 H new ATOM 0 HG2 PRO A 33 -7.515 -17.012 -1.067 1.00 21.31 H new ATOM 0 HG3 PRO A 33 -6.486 -15.604 -0.895 1.00 21.31 H new ATOM 0 HD2 PRO A 33 -8.871 -16.414 0.788 1.00 74.24 H new ATOM 0 HD3 PRO A 33 -7.322 -15.788 1.316 1.00 74.24 H new ATOM 527 N GLY A 34 -10.668 -12.365 -1.352 1.00 44.44 N ATOM 528 CA GLY A 34 -12.053 -11.942 -1.531 1.00 61.20 C ATOM 529 C GLY A 34 -12.400 -10.707 -0.709 1.00 32.05 C ATOM 530 O GLY A 34 -13.323 -9.964 -1.041 1.00 25.12 O ATOM 0 H GLY A 34 -9.993 -11.601 -1.320 1.00 44.44 H new ATOM 0 HA2 GLY A 34 -12.232 -11.734 -2.586 1.00 61.20 H new ATOM 0 HA3 GLY A 34 -12.718 -12.759 -1.250 1.00 61.20 H new ATOM 534 N TYR A 35 -11.654 -10.483 0.371 1.00 72.33 N ATOM 535 CA TYR A 35 -11.850 -9.305 1.228 1.00 74.13 C ATOM 536 C TYR A 35 -10.945 -8.134 0.796 1.00 13.21 C ATOM 537 O TYR A 35 -10.623 -7.253 1.596 1.00 10.31 O ATOM 538 CB TYR A 35 -11.576 -9.677 2.692 1.00 10.41 C ATOM 539 CG TYR A 35 -12.591 -10.643 3.282 1.00 20.33 C ATOM 540 CD1 TYR A 35 -13.740 -10.171 3.908 1.00 44.15 C ATOM 541 CD2 TYR A 35 -12.406 -12.020 3.209 1.00 23.05 C ATOM 542 CE1 TYR A 35 -14.671 -11.039 4.444 1.00 75.43 C ATOM 543 CE2 TYR A 35 -13.335 -12.895 3.742 1.00 43.01 C ATOM 544 CZ TYR A 35 -14.465 -12.399 4.357 1.00 3.12 C ATOM 545 OH TYR A 35 -15.395 -13.269 4.887 1.00 44.43 O ATOM 0 H TYR A 35 -10.904 -11.102 0.678 1.00 72.33 H new ATOM 0 HA TYR A 35 -12.885 -8.978 1.124 1.00 74.13 H new ATOM 0 HB2 TYR A 35 -10.583 -10.120 2.764 1.00 10.41 H new ATOM 0 HB3 TYR A 35 -11.564 -8.767 3.292 1.00 10.41 H new ATOM 0 HD1 TYR A 35 -13.907 -9.106 3.976 1.00 44.15 H new ATOM 0 HD2 TYR A 35 -11.522 -12.412 2.728 1.00 23.05 H new ATOM 0 HE1 TYR A 35 -15.556 -10.654 4.929 1.00 75.43 H new ATOM 0 HE2 TYR A 35 -13.176 -13.961 3.677 1.00 43.01 H new ATOM 0 HH TYR A 35 -15.100 -14.192 4.741 1.00 44.43 H new ATOM 555 N ALA A 36 -10.573 -8.119 -0.484 1.00 34.51 N ATOM 556 CA ALA A 36 -9.701 -7.078 -1.048 1.00 34.31 C ATOM 557 C ALA A 36 -10.197 -5.657 -0.725 1.00 11.44 C ATOM 558 O ALA A 36 -9.425 -4.801 -0.283 1.00 40.35 O ATOM 559 CB ALA A 36 -9.593 -7.263 -2.557 1.00 21.53 C ATOM 0 H ALA A 36 -10.864 -8.824 -1.161 1.00 34.51 H new ATOM 0 HA ALA A 36 -8.719 -7.187 -0.587 1.00 34.31 H new ATOM 0 HB1 ALA A 36 -8.946 -6.490 -2.973 1.00 21.53 H new ATOM 0 HB2 ALA A 36 -9.172 -8.245 -2.774 1.00 21.53 H new ATOM 0 HB3 ALA A 36 -10.584 -7.187 -3.005 1.00 21.53 H new ATOM 565 N ARG A 37 -11.487 -5.415 -0.944 1.00 22.21 N ATOM 566 CA ARG A 37 -12.079 -4.097 -0.695 1.00 44.24 C ATOM 567 C ARG A 37 -12.032 -3.735 0.798 1.00 0.33 C ATOM 568 O ARG A 37 -11.834 -2.575 1.155 1.00 75.13 O ATOM 569 CB ARG A 37 -13.525 -4.053 -1.207 1.00 33.04 C ATOM 570 CG ARG A 37 -14.144 -2.658 -1.162 1.00 41.11 C ATOM 571 CD ARG A 37 -15.579 -2.649 -1.676 1.00 3.11 C ATOM 572 NE ARG A 37 -16.130 -1.295 -1.732 1.00 72.42 N ATOM 573 CZ ARG A 37 -17.370 -0.993 -1.453 1.00 34.33 C ATOM 574 NH1 ARG A 37 -18.203 -1.913 -1.081 1.00 70.34 N ATOM 575 NH2 ARG A 37 -17.773 0.233 -1.538 1.00 52.41 N ATOM 0 H ARG A 37 -12.145 -6.112 -1.293 1.00 22.21 H new ATOM 0 HA ARG A 37 -11.489 -3.359 -1.239 1.00 44.24 H new ATOM 0 HB2 ARG A 37 -13.550 -4.420 -2.233 1.00 33.04 H new ATOM 0 HB3 ARG A 37 -14.134 -4.732 -0.610 1.00 33.04 H new ATOM 0 HG2 ARG A 37 -14.124 -2.286 -0.138 1.00 41.11 H new ATOM 0 HG3 ARG A 37 -13.541 -1.975 -1.760 1.00 41.11 H new ATOM 0 HD2 ARG A 37 -15.611 -3.095 -2.670 1.00 3.11 H new ATOM 0 HD3 ARG A 37 -16.200 -3.267 -1.028 1.00 3.11 H new ATOM 0 HE ARG A 37 -15.505 -0.537 -2.007 1.00 72.42 H new ATOM 0 HH11 ARG A 37 -17.892 -2.881 -1.004 1.00 70.34 H new ATOM 0 HH12 ARG A 37 -19.169 -1.669 -0.865 1.00 70.34 H new ATOM 0 HH21 ARG A 37 -17.122 0.965 -1.823 1.00 52.41 H new ATOM 0 HH22 ARG A 37 -18.741 0.468 -1.320 1.00 52.41 H new ATOM 589 N HIS A 38 -12.197 -4.738 1.661 1.00 31.25 N ATOM 590 CA HIS A 38 -12.146 -4.528 3.114 1.00 25.13 C ATOM 591 C HIS A 38 -10.757 -4.040 3.551 1.00 61.11 C ATOM 592 O HIS A 38 -10.638 -3.191 4.437 1.00 61.22 O ATOM 593 CB HIS A 38 -12.513 -5.820 3.857 1.00 11.12 C ATOM 594 CG HIS A 38 -13.921 -6.275 3.610 1.00 70.10 C ATOM 595 ND1 HIS A 38 -14.898 -6.152 4.571 1.00 33.24 N ATOM 596 CD2 HIS A 38 -14.460 -6.844 2.506 1.00 75.35 C ATOM 597 CE1 HIS A 38 -15.999 -6.644 4.031 1.00 14.21 C ATOM 598 NE2 HIS A 38 -15.783 -7.073 2.783 1.00 71.34 N ATOM 0 H HIS A 38 -12.367 -5.704 1.382 1.00 31.25 H new ATOM 0 HA HIS A 38 -12.874 -3.758 3.369 1.00 25.13 H new ATOM 0 HB2 HIS A 38 -11.826 -6.611 3.555 1.00 11.12 H new ATOM 0 HB3 HIS A 38 -12.372 -5.667 4.927 1.00 11.12 H new ATOM 0 HD2 HIS A 38 -13.946 -7.073 1.584 1.00 75.35 H new ATOM 0 HE1 HIS A 38 -16.953 -6.693 4.534 1.00 14.21 H new ATOM 0 HE2 HIS A 38 -16.471 -7.491 2.157 1.00 71.34 H new ATOM 606 N VAL A 39 -9.708 -4.581 2.925 1.00 50.30 N ATOM 607 CA VAL A 39 -8.338 -4.116 3.175 1.00 1.55 C ATOM 608 C VAL A 39 -8.202 -2.625 2.829 1.00 52.31 C ATOM 609 O VAL A 39 -7.674 -1.834 3.614 1.00 42.01 O ATOM 610 CB VAL A 39 -7.296 -4.925 2.353 1.00 74.13 C ATOM 611 CG1 VAL A 39 -5.871 -4.528 2.739 1.00 22.21 C ATOM 612 CG2 VAL A 39 -7.507 -6.426 2.532 1.00 2.52 C ATOM 0 H VAL A 39 -9.779 -5.338 2.245 1.00 50.30 H new ATOM 0 HA VAL A 39 -8.138 -4.269 4.236 1.00 1.55 H new ATOM 0 HB VAL A 39 -7.441 -4.687 1.299 1.00 74.13 H new ATOM 0 HG11 VAL A 39 -5.160 -5.108 2.150 1.00 22.21 H new ATOM 0 HG12 VAL A 39 -5.724 -3.466 2.543 1.00 22.21 H new ATOM 0 HG13 VAL A 39 -5.712 -4.727 3.799 1.00 22.21 H new ATOM 0 HG21 VAL A 39 -6.766 -6.970 1.947 1.00 2.52 H new ATOM 0 HG22 VAL A 39 -7.400 -6.685 3.585 1.00 2.52 H new ATOM 0 HG23 VAL A 39 -8.507 -6.696 2.192 1.00 2.52 H new ATOM 622 N GLY A 40 -8.705 -2.247 1.651 1.00 3.13 N ATOM 623 CA GLY A 40 -8.681 -0.848 1.232 1.00 23.42 C ATOM 624 C GLY A 40 -9.491 0.061 2.150 1.00 25.01 C ATOM 625 O GLY A 40 -9.056 1.159 2.498 1.00 24.20 O ATOM 0 H GLY A 40 -9.129 -2.885 0.978 1.00 3.13 H new ATOM 0 HA2 GLY A 40 -7.648 -0.500 1.204 1.00 23.42 H new ATOM 0 HA3 GLY A 40 -9.071 -0.771 0.217 1.00 23.42 H new ATOM 629 N LYS A 41 -10.668 -0.409 2.550 1.00 1.30 N ATOM 630 CA LYS A 41 -11.537 0.334 3.466 1.00 14.45 C ATOM 631 C LYS A 41 -10.845 0.575 4.821 1.00 51.03 C ATOM 632 O LYS A 41 -10.841 1.692 5.340 1.00 22.12 O ATOM 633 CB LYS A 41 -12.849 -0.435 3.668 1.00 60.13 C ATOM 634 CG LYS A 41 -13.834 0.248 4.612 1.00 71.02 C ATOM 635 CD LYS A 41 -15.129 -0.551 4.749 1.00 44.34 C ATOM 636 CE LYS A 41 -16.106 0.105 5.721 1.00 30.24 C ATOM 637 NZ LYS A 41 -16.469 1.487 5.304 1.00 33.31 N ATOM 0 H LYS A 41 -11.047 -1.308 2.253 1.00 1.30 H new ATOM 0 HA LYS A 41 -11.751 1.308 3.025 1.00 14.45 H new ATOM 0 HB2 LYS A 41 -13.328 -0.574 2.699 1.00 60.13 H new ATOM 0 HB3 LYS A 41 -12.620 -1.427 4.056 1.00 60.13 H new ATOM 0 HG2 LYS A 41 -13.375 0.368 5.593 1.00 71.02 H new ATOM 0 HG3 LYS A 41 -14.060 1.248 4.241 1.00 71.02 H new ATOM 0 HD2 LYS A 41 -15.601 -0.647 3.771 1.00 44.34 H new ATOM 0 HD3 LYS A 41 -14.898 -1.559 5.092 1.00 44.34 H new ATOM 0 HE2 LYS A 41 -17.009 -0.501 5.790 1.00 30.24 H new ATOM 0 HE3 LYS A 41 -15.663 0.132 6.717 1.00 30.24 H new ATOM 0 HZ1 LYS A 41 -17.267 1.825 5.879 1.00 33.31 H new ATOM 0 HZ2 LYS A 41 -15.653 2.117 5.441 1.00 33.31 H new ATOM 0 HZ3 LYS A 41 -16.741 1.486 4.300 1.00 33.31 H new ATOM 651 N ALA A 42 -10.249 -0.481 5.374 1.00 31.55 N ATOM 652 CA ALA A 42 -9.565 -0.403 6.670 1.00 10.34 C ATOM 653 C ALA A 42 -8.348 0.538 6.624 1.00 53.32 C ATOM 654 O ALA A 42 -8.220 1.447 7.449 1.00 22.03 O ATOM 655 CB ALA A 42 -9.134 -1.796 7.121 1.00 4.24 C ATOM 0 H ALA A 42 -10.225 -1.406 4.944 1.00 31.55 H new ATOM 0 HA ALA A 42 -10.272 0.010 7.389 1.00 10.34 H new ATOM 0 HB1 ALA A 42 -8.628 -1.726 8.084 1.00 4.24 H new ATOM 0 HB2 ALA A 42 -10.012 -2.435 7.218 1.00 4.24 H new ATOM 0 HB3 ALA A 42 -8.454 -2.223 6.384 1.00 4.24 H new ATOM 661 N LEU A 43 -7.462 0.317 5.653 1.00 12.42 N ATOM 662 CA LEU A 43 -6.222 1.096 5.542 1.00 24.31 C ATOM 663 C LEU A 43 -6.486 2.545 5.105 1.00 12.35 C ATOM 664 O LEU A 43 -5.897 3.479 5.647 1.00 14.45 O ATOM 665 CB LEU A 43 -5.256 0.411 4.566 1.00 43.05 C ATOM 666 CG LEU A 43 -4.845 -1.019 4.961 1.00 73.12 C ATOM 667 CD1 LEU A 43 -3.903 -1.620 3.926 1.00 64.32 C ATOM 668 CD2 LEU A 43 -4.203 -1.035 6.347 1.00 33.50 C ATOM 0 H LEU A 43 -7.577 -0.394 4.931 1.00 12.42 H new ATOM 0 HA LEU A 43 -5.769 1.135 6.532 1.00 24.31 H new ATOM 0 HB2 LEU A 43 -5.719 0.382 3.580 1.00 43.05 H new ATOM 0 HB3 LEU A 43 -4.357 1.021 4.478 1.00 43.05 H new ATOM 0 HG LEU A 43 -5.746 -1.631 4.995 1.00 73.12 H new ATOM 0 HD11 LEU A 43 -3.627 -2.630 4.228 1.00 64.32 H new ATOM 0 HD12 LEU A 43 -4.401 -1.654 2.957 1.00 64.32 H new ATOM 0 HD13 LEU A 43 -3.005 -1.006 3.851 1.00 64.32 H new ATOM 0 HD21 LEU A 43 -3.921 -2.056 6.605 1.00 33.50 H new ATOM 0 HD22 LEU A 43 -3.315 -0.402 6.344 1.00 33.50 H new ATOM 0 HD23 LEU A 43 -4.914 -0.658 7.082 1.00 33.50 H new ATOM 680 N GLY A 44 -7.384 2.730 4.141 1.00 61.30 N ATOM 681 CA GLY A 44 -7.707 4.074 3.659 1.00 72.44 C ATOM 682 C GLY A 44 -8.319 4.977 4.732 1.00 32.21 C ATOM 683 O GLY A 44 -8.268 6.202 4.628 1.00 73.52 O ATOM 0 H GLY A 44 -7.897 1.977 3.681 1.00 61.30 H new ATOM 0 HA2 GLY A 44 -6.800 4.542 3.276 1.00 72.44 H new ATOM 0 HA3 GLY A 44 -8.402 3.994 2.823 1.00 72.44 H new ATOM 687 N ASN A 45 -8.895 4.369 5.770 1.00 30.45 N ATOM 688 CA ASN A 45 -9.521 5.119 6.868 1.00 61.21 C ATOM 689 C ASN A 45 -8.500 5.458 7.979 1.00 50.05 C ATOM 690 O ASN A 45 -8.805 6.212 8.906 1.00 53.42 O ATOM 691 CB ASN A 45 -10.705 4.313 7.432 1.00 72.23 C ATOM 692 CG ASN A 45 -11.456 5.041 8.535 1.00 42.45 C ATOM 693 OD1 ASN A 45 -12.350 5.840 8.277 1.00 24.15 O ATOM 694 ND2 ASN A 45 -11.103 4.770 9.777 1.00 4.44 N ATOM 0 H ASN A 45 -8.943 3.356 5.876 1.00 30.45 H new ATOM 0 HA ASN A 45 -9.890 6.067 6.475 1.00 61.21 H new ATOM 0 HB2 ASN A 45 -11.397 4.082 6.622 1.00 72.23 H new ATOM 0 HB3 ASN A 45 -10.337 3.362 7.818 1.00 72.23 H new ATOM 0 HD21 ASN A 45 -11.578 5.230 10.554 1.00 4.44 H new ATOM 0 HD22 ASN A 45 -10.355 4.101 9.960 1.00 4.44 H new ATOM 701 N LEU A 46 -7.289 4.906 7.877 1.00 74.20 N ATOM 702 CA LEU A 46 -6.225 5.166 8.861 1.00 51.42 C ATOM 703 C LEU A 46 -5.726 6.620 8.787 1.00 51.42 C ATOM 704 O LEU A 46 -5.719 7.233 7.718 1.00 14.31 O ATOM 705 CB LEU A 46 -5.043 4.207 8.642 1.00 15.05 C ATOM 706 CG LEU A 46 -5.318 2.727 8.955 1.00 13.45 C ATOM 707 CD1 LEU A 46 -4.113 1.867 8.583 1.00 21.11 C ATOM 708 CD2 LEU A 46 -5.673 2.541 10.430 1.00 73.21 C ATOM 0 H LEU A 46 -7.016 4.275 7.124 1.00 74.20 H new ATOM 0 HA LEU A 46 -6.651 5.000 9.850 1.00 51.42 H new ATOM 0 HB2 LEU A 46 -4.723 4.286 7.603 1.00 15.05 H new ATOM 0 HB3 LEU A 46 -4.209 4.541 9.259 1.00 15.05 H new ATOM 0 HG LEU A 46 -6.170 2.406 8.356 1.00 13.45 H new ATOM 0 HD11 LEU A 46 -4.327 0.823 8.812 1.00 21.11 H new ATOM 0 HD12 LEU A 46 -3.907 1.970 7.518 1.00 21.11 H new ATOM 0 HD13 LEU A 46 -3.243 2.193 9.154 1.00 21.11 H new ATOM 0 HD21 LEU A 46 -5.863 1.486 10.628 1.00 73.21 H new ATOM 0 HD22 LEU A 46 -4.844 2.883 11.050 1.00 73.21 H new ATOM 0 HD23 LEU A 46 -6.565 3.121 10.665 1.00 73.21 H new ATOM 720 N PRO A 47 -5.308 7.196 9.933 1.00 34.43 N ATOM 721 CA PRO A 47 -4.747 8.556 9.978 1.00 43.31 C ATOM 722 C PRO A 47 -3.286 8.616 9.493 1.00 4.31 C ATOM 723 O PRO A 47 -2.596 7.596 9.428 1.00 2.33 O ATOM 724 CB PRO A 47 -4.839 8.908 11.465 1.00 42.23 C ATOM 725 CG PRO A 47 -4.695 7.598 12.166 1.00 1.51 C ATOM 726 CD PRO A 47 -5.358 6.575 11.277 1.00 24.34 C ATOM 0 HA PRO A 47 -5.279 9.244 9.321 1.00 43.31 H new ATOM 0 HB2 PRO A 47 -4.053 9.604 11.758 1.00 42.23 H new ATOM 0 HB3 PRO A 47 -5.791 9.383 11.703 1.00 42.23 H new ATOM 0 HG2 PRO A 47 -3.645 7.354 12.325 1.00 1.51 H new ATOM 0 HG3 PRO A 47 -5.168 7.627 13.148 1.00 1.51 H new ATOM 0 HD2 PRO A 47 -4.829 5.622 11.298 1.00 24.34 H new ATOM 0 HD3 PRO A 47 -6.383 6.377 11.589 1.00 24.34 H new ATOM 734 N GLU A 48 -2.815 9.822 9.172 1.00 65.01 N ATOM 735 CA GLU A 48 -1.446 10.018 8.680 1.00 53.04 C ATOM 736 C GLU A 48 -0.398 9.535 9.697 1.00 43.12 C ATOM 737 O GLU A 48 0.419 8.660 9.399 1.00 5.31 O ATOM 738 CB GLU A 48 -1.195 11.501 8.351 1.00 72.30 C ATOM 739 CG GLU A 48 -1.993 12.041 7.161 1.00 13.24 C ATOM 740 CD GLU A 48 -3.496 12.109 7.400 1.00 54.20 C ATOM 741 OE1 GLU A 48 -3.915 12.396 8.541 1.00 12.04 O ATOM 742 OE2 GLU A 48 -4.267 11.889 6.444 1.00 4.22 O ATOM 0 H GLU A 48 -3.361 10.681 9.243 1.00 65.01 H new ATOM 0 HA GLU A 48 -1.344 9.421 7.774 1.00 53.04 H new ATOM 0 HB2 GLU A 48 -1.433 12.099 9.231 1.00 72.30 H new ATOM 0 HB3 GLU A 48 -0.133 11.639 8.150 1.00 72.30 H new ATOM 0 HG2 GLU A 48 -1.629 13.039 6.916 1.00 13.24 H new ATOM 0 HG3 GLU A 48 -1.802 11.410 6.293 1.00 13.24 H new ATOM 749 N GLY A 49 -0.438 10.103 10.899 1.00 12.21 N ATOM 750 CA GLY A 49 0.562 9.797 11.915 1.00 71.25 C ATOM 751 C GLY A 49 0.315 8.481 12.644 1.00 1.25 C ATOM 752 O GLY A 49 0.058 8.466 13.848 1.00 50.43 O ATOM 0 H GLY A 49 -1.148 10.774 11.192 1.00 12.21 H new ATOM 0 HA2 GLY A 49 1.545 9.763 11.445 1.00 71.25 H new ATOM 0 HA3 GLY A 49 0.585 10.607 12.644 1.00 71.25 H new ATOM 756 N SER A 50 0.398 7.368 11.918 1.00 64.23 N ATOM 757 CA SER A 50 0.224 6.037 12.520 1.00 51.31 C ATOM 758 C SER A 50 1.548 5.265 12.577 1.00 4.12 C ATOM 759 O SER A 50 2.443 5.479 11.755 1.00 61.21 O ATOM 760 CB SER A 50 -0.806 5.208 11.741 1.00 64.11 C ATOM 761 OG SER A 50 -0.937 3.904 12.298 1.00 50.34 O ATOM 0 H SER A 50 0.584 7.355 10.915 1.00 64.23 H new ATOM 0 HA SER A 50 -0.135 6.197 13.537 1.00 51.31 H new ATOM 0 HB2 SER A 50 -1.772 5.713 11.757 1.00 64.11 H new ATOM 0 HB3 SER A 50 -0.503 5.133 10.697 1.00 64.11 H new ATOM 0 HG SER A 50 -1.600 3.395 11.786 1.00 50.34 H new ATOM 767 N LYS A 51 1.664 4.366 13.553 1.00 41.42 N ATOM 768 CA LYS A 51 2.836 3.487 13.671 1.00 51.35 C ATOM 769 C LYS A 51 2.781 2.350 12.635 1.00 64.42 C ATOM 770 O LYS A 51 3.743 1.605 12.456 1.00 33.52 O ATOM 771 CB LYS A 51 2.921 2.919 15.094 1.00 50.43 C ATOM 772 CG LYS A 51 1.684 2.133 15.520 1.00 61.02 C ATOM 773 CD LYS A 51 1.693 1.835 17.017 1.00 22.24 C ATOM 774 CE LYS A 51 2.870 0.953 17.430 1.00 71.35 C ATOM 775 NZ LYS A 51 2.859 -0.356 16.731 1.00 31.21 N ATOM 0 H LYS A 51 0.961 4.224 14.278 1.00 41.42 H new ATOM 0 HA LYS A 51 3.732 4.075 13.471 1.00 51.35 H new ATOM 0 HB2 LYS A 51 3.794 2.270 15.164 1.00 50.43 H new ATOM 0 HB3 LYS A 51 3.077 3.740 15.794 1.00 50.43 H new ATOM 0 HG2 LYS A 51 0.788 2.699 15.267 1.00 61.02 H new ATOM 0 HG3 LYS A 51 1.638 1.197 14.963 1.00 61.02 H new ATOM 0 HD2 LYS A 51 1.734 2.773 17.571 1.00 22.24 H new ATOM 0 HD3 LYS A 51 0.760 1.343 17.292 1.00 22.24 H new ATOM 0 HE2 LYS A 51 3.804 1.471 17.214 1.00 71.35 H new ATOM 0 HE3 LYS A 51 2.839 0.789 18.507 1.00 71.35 H new ATOM 0 HZ1 LYS A 51 3.568 -0.984 17.160 1.00 31.21 H new ATOM 0 HZ2 LYS A 51 1.917 -0.788 16.817 1.00 31.21 H new ATOM 0 HZ3 LYS A 51 3.084 -0.215 15.726 1.00 31.21 H new ATOM 789 N LEU A 52 1.633 2.223 11.970 1.00 5.51 N ATOM 790 CA LEU A 52 1.445 1.256 10.885 1.00 44.41 C ATOM 791 C LEU A 52 1.649 1.937 9.518 1.00 72.54 C ATOM 792 O LEU A 52 0.953 2.905 9.197 1.00 15.32 O ATOM 793 CB LEU A 52 0.027 0.663 10.969 1.00 53.50 C ATOM 794 CG LEU A 52 -0.352 -0.332 9.859 1.00 64.23 C ATOM 795 CD1 LEU A 52 0.489 -1.601 9.947 1.00 52.41 C ATOM 796 CD2 LEU A 52 -1.841 -0.666 9.924 1.00 73.22 C ATOM 0 H LEU A 52 0.806 2.787 12.167 1.00 5.51 H new ATOM 0 HA LEU A 52 2.180 0.458 10.988 1.00 44.41 H new ATOM 0 HB2 LEU A 52 -0.080 0.162 11.931 1.00 53.50 H new ATOM 0 HB3 LEU A 52 -0.690 1.483 10.955 1.00 53.50 H new ATOM 0 HG LEU A 52 -0.145 0.140 8.899 1.00 64.23 H new ATOM 0 HD11 LEU A 52 0.199 -2.286 9.150 1.00 52.41 H new ATOM 0 HD12 LEU A 52 1.544 -1.347 9.841 1.00 52.41 H new ATOM 0 HD13 LEU A 52 0.326 -2.079 10.913 1.00 52.41 H new ATOM 0 HD21 LEU A 52 -2.091 -1.371 9.131 1.00 73.22 H new ATOM 0 HD22 LEU A 52 -2.072 -1.111 10.892 1.00 73.22 H new ATOM 0 HD23 LEU A 52 -2.424 0.246 9.796 1.00 73.22 H new ATOM 808 N PRO A 53 2.614 1.476 8.696 1.00 41.34 N ATOM 809 CA PRO A 53 2.833 2.067 7.369 1.00 4.10 C ATOM 810 C PRO A 53 1.742 1.668 6.357 1.00 72.52 C ATOM 811 O PRO A 53 1.829 0.631 5.703 1.00 30.21 O ATOM 812 CB PRO A 53 4.200 1.500 6.960 1.00 20.54 C ATOM 813 CG PRO A 53 4.303 0.197 7.685 1.00 15.45 C ATOM 814 CD PRO A 53 3.564 0.382 8.989 1.00 32.32 C ATOM 0 HA PRO A 53 2.798 3.156 7.390 1.00 4.10 H new ATOM 0 HB2 PRO A 53 4.263 1.359 5.881 1.00 20.54 H new ATOM 0 HB3 PRO A 53 5.009 2.175 7.241 1.00 20.54 H new ATOM 0 HG2 PRO A 53 3.863 -0.610 7.099 1.00 15.45 H new ATOM 0 HG3 PRO A 53 5.345 -0.069 7.862 1.00 15.45 H new ATOM 0 HD2 PRO A 53 3.047 -0.529 9.290 1.00 32.32 H new ATOM 0 HD3 PRO A 53 4.242 0.646 9.801 1.00 32.32 H new ATOM 822 N TRP A 54 0.727 2.519 6.214 1.00 73.34 N ATOM 823 CA TRP A 54 -0.387 2.257 5.289 1.00 24.33 C ATOM 824 C TRP A 54 -0.054 2.693 3.853 1.00 1.13 C ATOM 825 O TRP A 54 -0.621 2.186 2.887 1.00 73.43 O ATOM 826 CB TRP A 54 -1.666 2.954 5.790 1.00 71.42 C ATOM 827 CG TRP A 54 -1.473 4.390 6.200 1.00 51.31 C ATOM 828 CD1 TRP A 54 -1.288 4.861 7.470 1.00 63.21 C ATOM 829 CD2 TRP A 54 -1.452 5.538 5.341 1.00 32.34 C ATOM 830 NE1 TRP A 54 -1.147 6.227 7.451 1.00 10.51 N ATOM 831 CE2 TRP A 54 -1.247 6.666 6.157 1.00 50.21 C ATOM 832 CE3 TRP A 54 -1.587 5.721 3.964 1.00 74.32 C ATOM 833 CZ2 TRP A 54 -1.172 7.958 5.639 1.00 51.25 C ATOM 834 CZ3 TRP A 54 -1.514 7.001 3.452 1.00 33.24 C ATOM 835 CH2 TRP A 54 -1.308 8.104 4.287 1.00 63.43 C ATOM 0 H TRP A 54 0.648 3.398 6.725 1.00 73.34 H new ATOM 0 HA TRP A 54 -0.556 1.180 5.266 1.00 24.33 H new ATOM 0 HB2 TRP A 54 -2.420 2.912 5.004 1.00 71.42 H new ATOM 0 HB3 TRP A 54 -2.060 2.396 6.640 1.00 71.42 H new ATOM 0 HD1 TRP A 54 -1.257 4.248 8.359 1.00 63.21 H new ATOM 0 HE1 TRP A 54 -0.993 6.819 8.268 1.00 10.51 H new ATOM 0 HE3 TRP A 54 -1.746 4.876 3.310 1.00 74.32 H new ATOM 0 HZ2 TRP A 54 -1.012 8.811 6.282 1.00 51.25 H new ATOM 0 HZ3 TRP A 54 -1.618 7.153 2.388 1.00 33.24 H new ATOM 0 HH2 TRP A 54 -1.255 9.092 3.854 1.00 63.43 H new ATOM 846 N PHE A 55 0.892 3.618 3.723 1.00 31.54 N ATOM 847 CA PHE A 55 1.286 4.162 2.416 1.00 42.52 C ATOM 848 C PHE A 55 1.866 3.088 1.475 1.00 44.02 C ATOM 849 O PHE A 55 1.826 3.241 0.254 1.00 60.04 O ATOM 850 CB PHE A 55 2.291 5.312 2.603 1.00 3.31 C ATOM 851 CG PHE A 55 3.486 4.967 3.464 1.00 22.10 C ATOM 852 CD1 PHE A 55 3.446 5.152 4.842 1.00 40.02 C ATOM 853 CD2 PHE A 55 4.653 4.469 2.897 1.00 73.41 C ATOM 854 CE1 PHE A 55 4.539 4.845 5.630 1.00 4.10 C ATOM 855 CE2 PHE A 55 5.748 4.163 3.683 1.00 31.14 C ATOM 856 CZ PHE A 55 5.692 4.350 5.050 1.00 22.22 C ATOM 0 H PHE A 55 1.407 4.013 4.510 1.00 31.54 H new ATOM 0 HA PHE A 55 0.382 4.542 1.940 1.00 42.52 H new ATOM 0 HB2 PHE A 55 2.645 5.631 1.623 1.00 3.31 H new ATOM 0 HB3 PHE A 55 1.773 6.162 3.047 1.00 3.31 H new ATOM 0 HD1 PHE A 55 2.549 5.540 5.302 1.00 40.02 H new ATOM 0 HD2 PHE A 55 4.705 4.319 1.829 1.00 73.41 H new ATOM 0 HE1 PHE A 55 4.492 4.992 6.699 1.00 4.10 H new ATOM 0 HE2 PHE A 55 6.648 3.777 3.228 1.00 31.14 H new ATOM 0 HZ PHE A 55 6.547 4.110 5.665 1.00 22.22 H new ATOM 866 N ARG A 56 2.381 1.999 2.045 1.00 33.14 N ATOM 867 CA ARG A 56 3.010 0.925 1.259 1.00 32.42 C ATOM 868 C ARG A 56 1.982 0.039 0.529 1.00 23.43 C ATOM 869 O ARG A 56 2.356 -0.790 -0.302 1.00 1.31 O ATOM 870 CB ARG A 56 3.890 0.051 2.165 1.00 32.34 C ATOM 871 CG ARG A 56 5.229 0.682 2.525 1.00 14.13 C ATOM 872 CD ARG A 56 6.026 -0.200 3.484 1.00 4.10 C ATOM 873 NE ARG A 56 7.442 0.147 3.497 1.00 24.32 N ATOM 874 CZ ARG A 56 8.288 -0.233 4.413 1.00 23.44 C ATOM 875 NH1 ARG A 56 7.896 -0.943 5.426 1.00 11.31 N ATOM 876 NH2 ARG A 56 9.531 0.099 4.310 1.00 72.23 N ATOM 0 H ARG A 56 2.377 1.832 3.051 1.00 33.14 H new ATOM 0 HA ARG A 56 3.621 1.410 0.498 1.00 32.42 H new ATOM 0 HB2 ARG A 56 3.344 -0.167 3.083 1.00 32.34 H new ATOM 0 HB3 ARG A 56 4.071 -0.902 1.668 1.00 32.34 H new ATOM 0 HG2 ARG A 56 5.809 0.850 1.617 1.00 14.13 H new ATOM 0 HG3 ARG A 56 5.061 1.658 2.981 1.00 14.13 H new ATOM 0 HD2 ARG A 56 5.619 -0.101 4.490 1.00 4.10 H new ATOM 0 HD3 ARG A 56 5.912 -1.245 3.195 1.00 4.10 H new ATOM 0 HE ARG A 56 7.795 0.728 2.736 1.00 24.32 H new ATOM 0 HH11 ARG A 56 6.915 -1.210 5.512 1.00 11.31 H new ATOM 0 HH12 ARG A 56 8.568 -1.234 6.136 1.00 11.31 H new ATOM 0 HH21 ARG A 56 9.846 0.655 3.515 1.00 72.23 H new ATOM 0 HH22 ARG A 56 10.198 -0.195 5.023 1.00 72.23 H new ATOM 890 N VAL A 57 0.698 0.205 0.837 1.00 13.43 N ATOM 891 CA VAL A 57 -0.347 -0.613 0.212 1.00 3.13 C ATOM 892 C VAL A 57 -1.329 0.259 -0.591 1.00 73.52 C ATOM 893 O VAL A 57 -2.077 1.057 -0.024 1.00 31.01 O ATOM 894 CB VAL A 57 -1.128 -1.437 1.267 1.00 0.24 C ATOM 895 CG1 VAL A 57 -2.072 -2.425 0.589 1.00 65.35 C ATOM 896 CG2 VAL A 57 -0.168 -2.165 2.209 1.00 62.43 C ATOM 0 H VAL A 57 0.355 0.891 1.509 1.00 13.43 H new ATOM 0 HA VAL A 57 0.153 -1.302 -0.469 1.00 3.13 H new ATOM 0 HB VAL A 57 -1.726 -0.746 1.861 1.00 0.24 H new ATOM 0 HG11 VAL A 57 -2.610 -2.993 1.348 1.00 65.35 H new ATOM 0 HG12 VAL A 57 -2.785 -1.881 -0.030 1.00 65.35 H new ATOM 0 HG13 VAL A 57 -1.496 -3.108 -0.035 1.00 65.35 H new ATOM 0 HG21 VAL A 57 -0.739 -2.736 2.940 1.00 62.43 H new ATOM 0 HG22 VAL A 57 0.464 -2.841 1.633 1.00 62.43 H new ATOM 0 HG23 VAL A 57 0.457 -1.437 2.726 1.00 62.43 H new ATOM 906 N ILE A 58 -1.323 0.097 -1.916 1.00 53.10 N ATOM 907 CA ILE A 58 -2.167 0.912 -2.806 1.00 63.41 C ATOM 908 C ILE A 58 -3.105 0.042 -3.665 1.00 41.42 C ATOM 909 O ILE A 58 -3.225 -1.167 -3.456 1.00 32.53 O ATOM 910 CB ILE A 58 -1.302 1.800 -3.741 1.00 63.21 C ATOM 911 CG1 ILE A 58 -0.389 0.932 -4.626 1.00 73.01 C ATOM 912 CG2 ILE A 58 -0.480 2.801 -2.927 1.00 13.44 C ATOM 913 CD1 ILE A 58 0.452 1.726 -5.608 1.00 15.43 C ATOM 0 H ILE A 58 -0.745 -0.590 -2.400 1.00 53.10 H new ATOM 0 HA ILE A 58 -2.773 1.547 -2.160 1.00 63.41 H new ATOM 0 HB ILE A 58 -1.971 2.361 -4.393 1.00 63.21 H new ATOM 0 HG12 ILE A 58 0.272 0.348 -3.986 1.00 73.01 H new ATOM 0 HG13 ILE A 58 -1.004 0.223 -5.180 1.00 73.01 H new ATOM 0 HG21 ILE A 58 0.119 3.413 -3.601 1.00 13.44 H new ATOM 0 HG22 ILE A 58 -1.150 3.442 -2.354 1.00 13.44 H new ATOM 0 HG23 ILE A 58 0.178 2.262 -2.245 1.00 13.44 H new ATOM 0 HD11 ILE A 58 1.068 1.044 -6.194 1.00 15.43 H new ATOM 0 HD12 ILE A 58 -0.201 2.289 -6.274 1.00 15.43 H new ATOM 0 HD13 ILE A 58 1.095 2.416 -5.062 1.00 15.43 H new ATOM 925 N ASN A 59 -3.792 0.668 -4.619 1.00 34.23 N ATOM 926 CA ASN A 59 -4.676 -0.055 -5.538 1.00 0.22 C ATOM 927 C ASN A 59 -3.915 -0.547 -6.784 1.00 3.25 C ATOM 928 O ASN A 59 -3.012 0.127 -7.283 1.00 53.42 O ATOM 929 CB ASN A 59 -5.873 0.824 -5.926 1.00 2.43 C ATOM 930 CG ASN A 59 -5.477 2.260 -6.232 1.00 31.05 C ATOM 931 OD1 ASN A 59 -5.280 2.578 -7.494 1.00 10.34 O flip ATOM 932 ND2 ASN A 59 -5.368 3.084 -5.337 1.00 23.20 N flip ATOM 0 H ASN A 59 -3.755 1.675 -4.778 1.00 34.23 H new ATOM 0 HA ASN A 59 -5.052 -0.939 -5.023 1.00 0.22 H new ATOM 0 HB2 ASN A 59 -6.365 0.394 -6.798 1.00 2.43 H new ATOM 0 HB3 ASN A 59 -6.600 0.818 -5.114 1.00 2.43 H new ATOM 0 HD21 ASN A 59 -5.527 2.808 -4.368 1.00 23.20 H new ATOM 0 HD22 ASN A 59 -5.118 4.048 -5.559 1.00 23.20 H new ATOM 939 N SER A 60 -4.314 -1.718 -7.290 1.00 12.11 N ATOM 940 CA SER A 60 -3.610 -2.413 -8.392 1.00 73.43 C ATOM 941 C SER A 60 -3.400 -1.537 -9.642 1.00 62.14 C ATOM 942 O SER A 60 -2.583 -1.859 -10.505 1.00 11.12 O ATOM 943 CB SER A 60 -4.385 -3.680 -8.779 1.00 63.22 C ATOM 944 OG SER A 60 -4.650 -4.488 -7.642 1.00 60.33 O ATOM 0 H SER A 60 -5.136 -2.219 -6.952 1.00 12.11 H new ATOM 0 HA SER A 60 -2.618 -2.663 -8.017 1.00 73.43 H new ATOM 0 HB2 SER A 60 -5.324 -3.403 -9.258 1.00 63.22 H new ATOM 0 HB3 SER A 60 -3.811 -4.252 -9.509 1.00 63.22 H new ATOM 0 HG SER A 60 -5.146 -5.287 -7.917 1.00 60.33 H new ATOM 950 N GLN A 61 -4.131 -0.430 -9.731 1.00 11.13 N ATOM 951 CA GLN A 61 -3.997 0.512 -10.853 1.00 45.40 C ATOM 952 C GLN A 61 -2.597 1.161 -10.903 1.00 31.40 C ATOM 953 O GLN A 61 -2.239 1.804 -11.887 1.00 0.23 O ATOM 954 CB GLN A 61 -5.059 1.613 -10.734 1.00 53.44 C ATOM 955 CG GLN A 61 -6.497 1.103 -10.795 1.00 34.43 C ATOM 956 CD GLN A 61 -7.515 2.177 -10.438 1.00 50.41 C ATOM 957 OE1 GLN A 61 -7.239 3.065 -9.638 1.00 53.25 O ATOM 958 NE2 GLN A 61 -8.693 2.112 -11.029 1.00 41.14 N ATOM 0 H GLN A 61 -4.828 -0.156 -9.038 1.00 11.13 H new ATOM 0 HA GLN A 61 -4.138 -0.055 -11.773 1.00 45.40 H new ATOM 0 HB2 GLN A 61 -4.913 2.143 -9.793 1.00 53.44 H new ATOM 0 HB3 GLN A 61 -4.908 2.337 -11.535 1.00 53.44 H new ATOM 0 HG2 GLN A 61 -6.704 0.730 -11.798 1.00 34.43 H new ATOM 0 HG3 GLN A 61 -6.609 0.260 -10.113 1.00 34.43 H new ATOM 0 HE21 GLN A 61 -8.891 1.361 -11.690 1.00 41.14 H new ATOM 0 HE22 GLN A 61 -9.405 2.813 -10.825 1.00 41.14 H new ATOM 967 N GLY A 62 -1.811 0.988 -9.840 1.00 31.21 N ATOM 968 CA GLY A 62 -0.519 1.659 -9.749 1.00 52.15 C ATOM 969 C GLY A 62 -0.674 3.128 -9.381 1.00 14.42 C ATOM 970 O GLY A 62 0.059 3.991 -9.868 1.00 24.41 O ATOM 0 H GLY A 62 -2.044 0.397 -9.042 1.00 31.21 H new ATOM 0 HA2 GLY A 62 0.099 1.160 -9.003 1.00 52.15 H new ATOM 0 HA3 GLY A 62 0.003 1.575 -10.702 1.00 52.15 H new ATOM 974 N LYS A 63 -1.633 3.400 -8.506 1.00 44.25 N ATOM 975 CA LYS A 63 -1.986 4.766 -8.121 1.00 14.24 C ATOM 976 C LYS A 63 -2.292 4.850 -6.619 1.00 24.42 C ATOM 977 O LYS A 63 -2.658 3.852 -5.997 1.00 20.13 O ATOM 978 CB LYS A 63 -3.212 5.224 -8.930 1.00 32.15 C ATOM 979 CG LYS A 63 -3.727 6.613 -8.557 1.00 43.03 C ATOM 980 CD LYS A 63 -5.084 6.912 -9.191 1.00 75.53 C ATOM 981 CE LYS A 63 -5.621 8.270 -8.749 1.00 25.43 C ATOM 982 NZ LYS A 63 -7.003 8.513 -9.242 1.00 73.23 N ATOM 0 H LYS A 63 -2.190 2.682 -8.042 1.00 44.25 H new ATOM 0 HA LYS A 63 -1.139 5.419 -8.333 1.00 14.24 H new ATOM 0 HB2 LYS A 63 -2.957 5.216 -9.990 1.00 32.15 H new ATOM 0 HB3 LYS A 63 -4.016 4.501 -8.790 1.00 32.15 H new ATOM 0 HG2 LYS A 63 -3.809 6.690 -7.473 1.00 43.03 H new ATOM 0 HG3 LYS A 63 -3.005 7.365 -8.876 1.00 43.03 H new ATOM 0 HD2 LYS A 63 -4.992 6.892 -10.277 1.00 75.53 H new ATOM 0 HD3 LYS A 63 -5.794 6.132 -8.917 1.00 75.53 H new ATOM 0 HE2 LYS A 63 -5.610 8.327 -7.661 1.00 25.43 H new ATOM 0 HE3 LYS A 63 -4.962 9.057 -9.116 1.00 25.43 H new ATOM 0 HZ1 LYS A 63 -7.328 9.446 -8.918 1.00 73.23 H new ATOM 0 HZ2 LYS A 63 -7.011 8.485 -10.282 1.00 73.23 H new ATOM 0 HZ3 LYS A 63 -7.638 7.778 -8.871 1.00 73.23 H new ATOM 996 N ILE A 64 -2.138 6.042 -6.048 1.00 1.20 N ATOM 997 CA ILE A 64 -2.496 6.291 -4.651 1.00 31.23 C ATOM 998 C ILE A 64 -4.021 6.214 -4.441 1.00 65.31 C ATOM 999 O ILE A 64 -4.797 6.808 -5.199 1.00 51.52 O ATOM 1000 CB ILE A 64 -1.968 7.677 -4.185 1.00 13.44 C ATOM 1001 CG1 ILE A 64 -0.432 7.657 -4.106 1.00 32.41 C ATOM 1002 CG2 ILE A 64 -2.578 8.081 -2.843 1.00 73.02 C ATOM 1003 CD1 ILE A 64 0.182 8.949 -3.605 1.00 0.00 C ATOM 0 H ILE A 64 -1.765 6.857 -6.534 1.00 1.20 H new ATOM 0 HA ILE A 64 -2.026 5.513 -4.050 1.00 31.23 H new ATOM 0 HB ILE A 64 -2.271 8.424 -4.919 1.00 13.44 H new ATOM 0 HG12 ILE A 64 -0.124 6.843 -3.450 1.00 32.41 H new ATOM 0 HG13 ILE A 64 -0.031 7.437 -5.096 1.00 32.41 H new ATOM 0 HG21 ILE A 64 -2.189 9.054 -2.545 1.00 73.02 H new ATOM 0 HG22 ILE A 64 -3.662 8.138 -2.938 1.00 73.02 H new ATOM 0 HG23 ILE A 64 -2.319 7.339 -2.087 1.00 73.02 H new ATOM 0 HD11 ILE A 64 1.267 8.850 -3.580 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -0.093 9.765 -4.273 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -0.186 9.162 -2.601 1.00 0.00 H new ATOM 1015 N SER A 65 -4.444 5.475 -3.415 1.00 41.03 N ATOM 1016 CA SER A 65 -5.872 5.326 -3.095 1.00 11.24 C ATOM 1017 C SER A 65 -6.456 6.628 -2.534 1.00 15.13 C ATOM 1018 O SER A 65 -7.559 7.045 -2.903 1.00 70.33 O ATOM 1019 CB SER A 65 -6.069 4.197 -2.079 1.00 63.22 C ATOM 1020 OG SER A 65 -5.366 4.468 -0.878 1.00 50.42 O ATOM 0 H SER A 65 -3.820 4.968 -2.788 1.00 41.03 H new ATOM 0 HA SER A 65 -6.397 5.083 -4.019 1.00 11.24 H new ATOM 0 HB2 SER A 65 -7.131 4.077 -1.864 1.00 63.22 H new ATOM 0 HB3 SER A 65 -5.721 3.255 -2.504 1.00 63.22 H new ATOM 0 HG SER A 65 -5.058 3.626 -0.482 1.00 50.42 H new ATOM 1026 N LEU A 66 -5.709 7.259 -1.636 1.00 53.01 N ATOM 1027 CA LEU A 66 -6.108 8.540 -1.046 1.00 64.53 C ATOM 1028 C LEU A 66 -6.038 9.683 -2.076 1.00 51.12 C ATOM 1029 O LEU A 66 -5.350 9.581 -3.090 1.00 15.32 O ATOM 1030 CB LEU A 66 -5.221 8.843 0.169 1.00 64.21 C ATOM 1031 CG LEU A 66 -5.310 7.817 1.312 1.00 35.45 C ATOM 1032 CD1 LEU A 66 -4.469 8.261 2.504 1.00 71.54 C ATOM 1033 CD2 LEU A 66 -6.763 7.596 1.735 1.00 65.32 C ATOM 0 H LEU A 66 -4.815 6.904 -1.295 1.00 53.01 H new ATOM 0 HA LEU A 66 -7.146 8.464 -0.722 1.00 64.53 H new ATOM 0 HB2 LEU A 66 -4.185 8.905 -0.163 1.00 64.21 H new ATOM 0 HB3 LEU A 66 -5.490 9.824 0.560 1.00 64.21 H new ATOM 0 HG LEU A 66 -4.914 6.870 0.945 1.00 35.45 H new ATOM 0 HD11 LEU A 66 -4.547 7.521 3.300 1.00 71.54 H new ATOM 0 HD12 LEU A 66 -3.427 8.357 2.199 1.00 71.54 H new ATOM 0 HD13 LEU A 66 -4.831 9.223 2.867 1.00 71.54 H new ATOM 0 HD21 LEU A 66 -6.799 6.867 2.544 1.00 65.32 H new ATOM 0 HD22 LEU A 66 -7.190 8.539 2.077 1.00 65.32 H new ATOM 0 HD23 LEU A 66 -7.337 7.225 0.886 1.00 65.32 H new ATOM 1045 N LYS A 67 -6.749 10.777 -1.809 1.00 15.03 N ATOM 1046 CA LYS A 67 -6.865 11.879 -2.775 1.00 74.34 C ATOM 1047 C LYS A 67 -6.977 13.247 -2.080 1.00 32.32 C ATOM 1048 O LYS A 67 -7.802 13.443 -1.183 1.00 12.13 O ATOM 1049 CB LYS A 67 -8.077 11.640 -3.690 1.00 4.50 C ATOM 1050 CG LYS A 67 -9.382 11.389 -2.936 1.00 45.42 C ATOM 1051 CD LYS A 67 -10.514 10.995 -3.883 1.00 63.31 C ATOM 1052 CE LYS A 67 -11.789 10.635 -3.127 1.00 4.52 C ATOM 1053 NZ LYS A 67 -12.849 10.139 -4.043 1.00 70.15 N ATOM 0 H LYS A 67 -7.254 10.928 -0.936 1.00 15.03 H new ATOM 0 HA LYS A 67 -5.954 11.898 -3.373 1.00 74.34 H new ATOM 0 HB2 LYS A 67 -8.205 12.505 -4.340 1.00 4.50 H new ATOM 0 HB3 LYS A 67 -7.871 10.785 -4.334 1.00 4.50 H new ATOM 0 HG2 LYS A 67 -9.231 10.599 -2.200 1.00 45.42 H new ATOM 0 HG3 LYS A 67 -9.663 12.287 -2.386 1.00 45.42 H new ATOM 0 HD2 LYS A 67 -10.718 11.819 -4.567 1.00 63.31 H new ATOM 0 HD3 LYS A 67 -10.200 10.146 -4.490 1.00 63.31 H new ATOM 0 HE2 LYS A 67 -11.567 9.872 -2.381 1.00 4.52 H new ATOM 0 HE3 LYS A 67 -12.153 11.511 -2.589 1.00 4.52 H new ATOM 0 HZ1 LYS A 67 -13.700 9.904 -3.494 1.00 70.15 H new ATOM 0 HZ2 LYS A 67 -13.079 10.876 -4.740 1.00 70.15 H new ATOM 0 HZ3 LYS A 67 -12.511 9.289 -4.537 1.00 70.15 H new ATOM 1067 N GLY A 68 -6.152 14.198 -2.519 1.00 72.14 N ATOM 1068 CA GLY A 68 -6.109 15.517 -1.896 1.00 5.51 C ATOM 1069 C GLY A 68 -4.902 15.690 -0.978 1.00 34.22 C ATOM 1070 O GLY A 68 -3.796 15.257 -1.313 1.00 21.53 O ATOM 0 H GLY A 68 -5.508 14.078 -3.301 1.00 72.14 H new ATOM 0 HA2 GLY A 68 -6.083 16.282 -2.673 1.00 5.51 H new ATOM 0 HA3 GLY A 68 -7.023 15.675 -1.323 1.00 5.51 H new ATOM 1074 N ARG A 69 -5.109 16.323 0.177 1.00 3.13 N ATOM 1075 CA ARG A 69 -4.028 16.523 1.157 1.00 52.25 C ATOM 1076 C ARG A 69 -3.425 15.182 1.622 1.00 71.02 C ATOM 1077 O ARG A 69 -2.205 15.049 1.764 1.00 51.15 O ATOM 1078 CB ARG A 69 -4.512 17.351 2.370 1.00 71.03 C ATOM 1079 CG ARG A 69 -5.552 16.678 3.279 1.00 74.11 C ATOM 1080 CD ARG A 69 -6.918 16.531 2.612 1.00 22.55 C ATOM 1081 NE ARG A 69 -7.968 16.196 3.575 1.00 24.53 N ATOM 1082 CZ ARG A 69 -9.009 15.454 3.309 1.00 11.11 C ATOM 1083 NH1 ARG A 69 -9.114 14.840 2.174 1.00 74.42 N ATOM 1084 NH2 ARG A 69 -9.925 15.296 4.205 1.00 52.52 N ATOM 0 H ARG A 69 -6.010 16.707 0.461 1.00 3.13 H new ATOM 0 HA ARG A 69 -3.242 17.086 0.653 1.00 52.25 H new ATOM 0 HB2 ARG A 69 -3.644 17.610 2.976 1.00 71.03 H new ATOM 0 HB3 ARG A 69 -4.934 18.286 2.000 1.00 71.03 H new ATOM 0 HG2 ARG A 69 -5.188 15.693 3.571 1.00 74.11 H new ATOM 0 HG3 ARG A 69 -5.661 17.262 4.193 1.00 74.11 H new ATOM 0 HD2 ARG A 69 -7.175 17.461 2.105 1.00 22.55 H new ATOM 0 HD3 ARG A 69 -6.866 15.755 1.848 1.00 22.55 H new ATOM 0 HE ARG A 69 -7.880 16.568 4.521 1.00 24.53 H new ATOM 0 HH11 ARG A 69 -8.378 14.933 1.474 1.00 74.42 H new ATOM 0 HH12 ARG A 69 -9.933 14.264 1.980 1.00 74.42 H new ATOM 0 HH21 ARG A 69 -9.833 15.749 5.114 1.00 52.52 H new ATOM 0 HH22 ARG A 69 -10.741 14.718 4.004 1.00 52.52 H new ATOM 1098 N ASP A 70 -4.288 14.194 1.837 1.00 4.24 N ATOM 1099 CA ASP A 70 -3.865 12.848 2.242 1.00 20.33 C ATOM 1100 C ASP A 70 -3.029 12.158 1.149 1.00 53.23 C ATOM 1101 O ASP A 70 -2.099 11.403 1.449 1.00 22.12 O ATOM 1102 CB ASP A 70 -5.090 12.003 2.619 1.00 2.21 C ATOM 1103 CG ASP A 70 -6.297 12.307 1.748 1.00 10.30 C ATOM 1104 OD1 ASP A 70 -6.912 13.373 1.941 1.00 10.23 O ATOM 1105 OD2 ASP A 70 -6.640 11.492 0.877 1.00 71.32 O ATOM 0 H ASP A 70 -5.298 14.298 1.737 1.00 4.24 H new ATOM 0 HA ASP A 70 -3.223 12.945 3.117 1.00 20.33 H new ATOM 0 HB2 ASP A 70 -4.839 10.946 2.531 1.00 2.21 H new ATOM 0 HB3 ASP A 70 -5.345 12.184 3.663 1.00 2.21 H new ATOM 1110 N LEU A 71 -3.352 12.431 -0.118 1.00 65.22 N ATOM 1111 CA LEU A 71 -2.553 11.928 -1.246 1.00 73.22 C ATOM 1112 C LEU A 71 -1.096 12.396 -1.110 1.00 45.21 C ATOM 1113 O LEU A 71 -0.157 11.619 -1.302 1.00 63.04 O ATOM 1114 CB LEU A 71 -3.167 12.410 -2.580 1.00 54.24 C ATOM 1115 CG LEU A 71 -2.562 11.821 -3.878 1.00 43.12 C ATOM 1116 CD1 LEU A 71 -3.549 11.948 -5.037 1.00 13.22 C ATOM 1117 CD2 LEU A 71 -1.243 12.505 -4.250 1.00 23.55 C ATOM 0 H LEU A 71 -4.157 12.995 -0.391 1.00 65.22 H new ATOM 0 HA LEU A 71 -2.562 10.838 -1.237 1.00 73.22 H new ATOM 0 HB2 LEU A 71 -4.232 12.180 -2.567 1.00 54.24 H new ATOM 0 HB3 LEU A 71 -3.075 13.495 -2.624 1.00 54.24 H new ATOM 0 HG LEU A 71 -2.359 10.767 -3.689 1.00 43.12 H new ATOM 0 HD11 LEU A 71 -3.106 11.529 -5.940 1.00 13.22 H new ATOM 0 HD12 LEU A 71 -4.464 11.406 -4.797 1.00 13.22 H new ATOM 0 HD13 LEU A 71 -3.783 13.000 -5.202 1.00 13.22 H new ATOM 0 HD21 LEU A 71 -0.850 12.064 -5.166 1.00 23.55 H new ATOM 0 HD22 LEU A 71 -1.417 13.570 -4.405 1.00 23.55 H new ATOM 0 HD23 LEU A 71 -0.522 12.369 -3.444 1.00 23.55 H new ATOM 1129 N ASP A 72 -0.920 13.670 -0.759 1.00 15.10 N ATOM 1130 CA ASP A 72 0.414 14.241 -0.549 1.00 44.21 C ATOM 1131 C ASP A 72 1.161 13.517 0.580 1.00 54.04 C ATOM 1132 O ASP A 72 2.355 13.236 0.469 1.00 15.05 O ATOM 1133 CB ASP A 72 0.309 15.735 -0.223 1.00 72.13 C ATOM 1134 CG ASP A 72 -0.366 16.523 -1.330 1.00 64.34 C ATOM 1135 OD1 ASP A 72 0.093 16.440 -2.488 1.00 5.32 O ATOM 1136 OD2 ASP A 72 -1.360 17.227 -1.053 1.00 33.44 O ATOM 0 H ASP A 72 -1.685 14.329 -0.613 1.00 15.10 H new ATOM 0 HA ASP A 72 0.978 14.111 -1.472 1.00 44.21 H new ATOM 0 HB2 ASP A 72 -0.250 15.863 0.704 1.00 72.13 H new ATOM 0 HB3 ASP A 72 1.307 16.138 -0.051 1.00 72.13 H new ATOM 1141 N ARG A 73 0.448 13.213 1.664 1.00 40.35 N ATOM 1142 CA ARG A 73 1.053 12.530 2.819 1.00 30.31 C ATOM 1143 C ARG A 73 1.600 11.153 2.418 1.00 21.13 C ATOM 1144 O ARG A 73 2.751 10.818 2.715 1.00 42.32 O ATOM 1145 CB ARG A 73 0.026 12.377 3.953 1.00 41.42 C ATOM 1146 CG ARG A 73 -0.851 13.607 4.157 1.00 40.33 C ATOM 1147 CD ARG A 73 -0.041 14.872 4.448 1.00 33.34 C ATOM 1148 NE ARG A 73 -0.689 16.066 3.896 1.00 60.34 N ATOM 1149 CZ ARG A 73 -0.998 17.132 4.581 1.00 63.20 C ATOM 1150 NH1 ARG A 73 -0.767 17.191 5.853 1.00 72.32 N ATOM 1151 NH2 ARG A 73 -1.528 18.150 3.983 1.00 43.02 N ATOM 0 H ARG A 73 -0.544 13.425 1.772 1.00 40.35 H new ATOM 0 HA ARG A 73 1.883 13.142 3.173 1.00 30.31 H new ATOM 0 HB2 ARG A 73 -0.611 11.519 3.740 1.00 41.42 H new ATOM 0 HB3 ARG A 73 0.553 12.160 4.882 1.00 41.42 H new ATOM 0 HG2 ARG A 73 -1.458 13.767 3.266 1.00 40.33 H new ATOM 0 HG3 ARG A 73 -1.539 13.424 4.982 1.00 40.33 H new ATOM 0 HD2 ARG A 73 0.080 14.988 5.525 1.00 33.34 H new ATOM 0 HD3 ARG A 73 0.958 14.771 4.024 1.00 33.34 H new ATOM 0 HE ARG A 73 -0.915 16.063 2.901 1.00 60.34 H new ATOM 0 HH11 ARG A 73 -0.339 16.398 6.331 1.00 72.32 H new ATOM 0 HH12 ARG A 73 -1.013 18.030 6.378 1.00 72.32 H new ATOM 0 HH21 ARG A 73 -1.703 18.117 2.979 1.00 43.02 H new ATOM 0 HH22 ARG A 73 -1.771 18.985 4.516 1.00 43.02 H new ATOM 1165 N GLN A 74 0.772 10.368 1.726 1.00 61.35 N ATOM 1166 CA GLN A 74 1.173 9.039 1.250 1.00 41.21 C ATOM 1167 C GLN A 74 2.339 9.131 0.254 1.00 73.51 C ATOM 1168 O GLN A 74 3.303 8.368 0.344 1.00 74.23 O ATOM 1169 CB GLN A 74 -0.027 8.317 0.615 1.00 72.22 C ATOM 1170 CG GLN A 74 0.321 6.981 -0.046 1.00 41.13 C ATOM 1171 CD GLN A 74 -0.884 6.064 -0.209 1.00 64.33 C ATOM 1172 OE1 GLN A 74 -2.017 6.514 -0.307 1.00 43.53 O ATOM 1173 NE2 GLN A 74 -0.646 4.769 -0.255 1.00 15.12 N ATOM 0 H GLN A 74 -0.183 10.629 1.481 1.00 61.35 H new ATOM 0 HA GLN A 74 1.516 8.461 2.108 1.00 41.21 H new ATOM 0 HB2 GLN A 74 -0.780 8.144 1.383 1.00 72.22 H new ATOM 0 HB3 GLN A 74 -0.477 8.972 -0.131 1.00 72.22 H new ATOM 0 HG2 GLN A 74 0.761 7.170 -1.025 1.00 41.13 H new ATOM 0 HG3 GLN A 74 1.078 6.473 0.551 1.00 41.13 H new ATOM 0 HE21 GLN A 74 0.310 4.423 -0.171 1.00 15.12 H new ATOM 0 HE22 GLN A 74 -1.417 4.113 -0.375 1.00 15.12 H new ATOM 1182 N LYS A 75 2.250 10.074 -0.685 1.00 75.34 N ATOM 1183 CA LYS A 75 3.309 10.279 -1.679 1.00 23.31 C ATOM 1184 C LYS A 75 4.666 10.567 -1.015 1.00 52.53 C ATOM 1185 O LYS A 75 5.654 9.886 -1.291 1.00 21.43 O ATOM 1186 CB LYS A 75 2.938 11.427 -2.632 1.00 23.41 C ATOM 1187 CG LYS A 75 4.053 11.797 -3.609 1.00 50.14 C ATOM 1188 CD LYS A 75 3.597 12.819 -4.645 1.00 13.40 C ATOM 1189 CE LYS A 75 4.748 13.253 -5.548 1.00 1.04 C ATOM 1190 NZ LYS A 75 5.748 14.085 -4.821 1.00 22.21 N ATOM 0 H LYS A 75 1.457 10.708 -0.780 1.00 75.34 H new ATOM 0 HA LYS A 75 3.403 9.355 -2.249 1.00 23.31 H new ATOM 0 HB2 LYS A 75 2.050 11.146 -3.198 1.00 23.41 H new ATOM 0 HB3 LYS A 75 2.676 12.306 -2.043 1.00 23.41 H new ATOM 0 HG2 LYS A 75 4.901 12.198 -3.054 1.00 50.14 H new ATOM 0 HG3 LYS A 75 4.401 10.898 -4.117 1.00 50.14 H new ATOM 0 HD2 LYS A 75 2.799 12.392 -5.252 1.00 13.40 H new ATOM 0 HD3 LYS A 75 3.182 13.691 -4.139 1.00 13.40 H new ATOM 0 HE2 LYS A 75 5.240 12.370 -5.957 1.00 1.04 H new ATOM 0 HE3 LYS A 75 4.353 13.818 -6.392 1.00 1.04 H new ATOM 0 HZ1 LYS A 75 6.706 13.831 -5.136 1.00 22.21 H new ATOM 0 HZ2 LYS A 75 5.574 15.091 -5.021 1.00 22.21 H new ATOM 0 HZ3 LYS A 75 5.663 13.915 -3.798 1.00 22.21 H new ATOM 1204 N GLN A 76 4.705 11.569 -0.136 1.00 33.21 N ATOM 1205 CA GLN A 76 5.951 11.962 0.542 1.00 15.01 C ATOM 1206 C GLN A 76 6.565 10.792 1.332 1.00 31.11 C ATOM 1207 O GLN A 76 7.788 10.623 1.364 1.00 25.43 O ATOM 1208 CB GLN A 76 5.697 13.152 1.478 1.00 53.35 C ATOM 1209 CG GLN A 76 5.165 14.390 0.762 1.00 24.03 C ATOM 1210 CD GLN A 76 6.140 14.956 -0.255 1.00 51.44 C ATOM 1211 OE1 GLN A 76 7.351 14.884 -0.083 1.00 30.43 O ATOM 1212 NE2 GLN A 76 5.619 15.516 -1.326 1.00 43.54 N ATOM 0 H GLN A 76 3.892 12.126 0.126 1.00 33.21 H new ATOM 0 HA GLN A 76 6.664 12.255 -0.228 1.00 15.01 H new ATOM 0 HB2 GLN A 76 4.985 12.853 2.247 1.00 53.35 H new ATOM 0 HB3 GLN A 76 6.626 13.408 1.987 1.00 53.35 H new ATOM 0 HG2 GLN A 76 4.231 14.138 0.260 1.00 24.03 H new ATOM 0 HG3 GLN A 76 4.933 15.158 1.500 1.00 24.03 H new ATOM 0 HE21 GLN A 76 4.606 15.559 -1.437 1.00 43.54 H new ATOM 0 HE22 GLN A 76 6.228 15.907 -2.045 1.00 43.54 H new ATOM 1221 N LYS A 77 5.712 9.993 1.971 1.00 62.42 N ATOM 1222 CA LYS A 77 6.166 8.800 2.699 1.00 20.54 C ATOM 1223 C LYS A 77 6.811 7.776 1.748 1.00 1.25 C ATOM 1224 O LYS A 77 7.866 7.222 2.044 1.00 75.32 O ATOM 1225 CB LYS A 77 4.992 8.154 3.454 1.00 63.54 C ATOM 1226 CG LYS A 77 4.486 8.968 4.641 1.00 12.33 C ATOM 1227 CD LYS A 77 5.555 9.117 5.720 1.00 43.51 C ATOM 1228 CE LYS A 77 5.054 9.928 6.911 1.00 11.43 C ATOM 1229 NZ LYS A 77 6.114 10.113 7.939 1.00 45.32 N ATOM 0 H LYS A 77 4.704 10.146 2.002 1.00 62.42 H new ATOM 0 HA LYS A 77 6.921 9.116 3.419 1.00 20.54 H new ATOM 0 HB2 LYS A 77 4.168 7.999 2.757 1.00 63.54 H new ATOM 0 HB3 LYS A 77 5.300 7.170 3.808 1.00 63.54 H new ATOM 0 HG2 LYS A 77 4.174 9.955 4.299 1.00 12.33 H new ATOM 0 HG3 LYS A 77 3.606 8.485 5.065 1.00 12.33 H new ATOM 0 HD2 LYS A 77 5.868 8.130 6.059 1.00 43.51 H new ATOM 0 HD3 LYS A 77 6.434 9.602 5.295 1.00 43.51 H new ATOM 0 HE2 LYS A 77 4.707 10.902 6.567 1.00 11.43 H new ATOM 0 HE3 LYS A 77 4.197 9.425 7.359 1.00 11.43 H new ATOM 0 HZ1 LYS A 77 5.735 10.669 8.732 1.00 45.32 H new ATOM 0 HZ2 LYS A 77 6.427 9.184 8.286 1.00 45.32 H new ATOM 0 HZ3 LYS A 77 6.921 10.616 7.519 1.00 45.32 H new ATOM 1243 N LEU A 78 6.174 7.543 0.604 1.00 21.52 N ATOM 1244 CA LEU A 78 6.707 6.625 -0.412 1.00 2.15 C ATOM 1245 C LEU A 78 8.032 7.146 -1.001 1.00 52.24 C ATOM 1246 O LEU A 78 8.969 6.379 -1.235 1.00 73.11 O ATOM 1247 CB LEU A 78 5.666 6.424 -1.520 1.00 62.33 C ATOM 1248 CG LEU A 78 4.390 5.690 -1.075 1.00 22.31 C ATOM 1249 CD1 LEU A 78 3.297 5.801 -2.131 1.00 22.05 C ATOM 1250 CD2 LEU A 78 4.699 4.225 -0.769 1.00 12.50 C ATOM 0 H LEU A 78 5.285 7.976 0.352 1.00 21.52 H new ATOM 0 HA LEU A 78 6.916 5.667 0.064 1.00 2.15 H new ATOM 0 HB2 LEU A 78 5.388 7.399 -1.920 1.00 62.33 H new ATOM 0 HB3 LEU A 78 6.126 5.865 -2.335 1.00 62.33 H new ATOM 0 HG LEU A 78 4.024 6.165 -0.165 1.00 22.31 H new ATOM 0 HD11 LEU A 78 2.407 5.273 -1.790 1.00 22.05 H new ATOM 0 HD12 LEU A 78 3.055 6.851 -2.296 1.00 22.05 H new ATOM 0 HD13 LEU A 78 3.646 5.358 -3.064 1.00 22.05 H new ATOM 0 HD21 LEU A 78 3.786 3.718 -0.455 1.00 12.50 H new ATOM 0 HD22 LEU A 78 5.093 3.742 -1.663 1.00 12.50 H new ATOM 0 HD23 LEU A 78 5.438 4.168 0.030 1.00 12.50 H new ATOM 1262 N GLU A 79 8.110 8.456 -1.225 1.00 70.02 N ATOM 1263 CA GLU A 79 9.337 9.084 -1.731 1.00 75.14 C ATOM 1264 C GLU A 79 10.467 9.021 -0.688 1.00 53.03 C ATOM 1265 O GLU A 79 11.647 9.124 -1.026 1.00 22.42 O ATOM 1266 CB GLU A 79 9.064 10.535 -2.155 1.00 42.14 C ATOM 1267 CG GLU A 79 8.020 10.652 -3.261 1.00 64.41 C ATOM 1268 CD GLU A 79 7.774 12.087 -3.698 1.00 10.32 C ATOM 1269 OE1 GLU A 79 7.327 12.900 -2.867 1.00 51.01 O ATOM 1270 OE2 GLU A 79 8.012 12.407 -4.882 1.00 63.23 O ATOM 0 H GLU A 79 7.341 9.106 -1.065 1.00 70.02 H new ATOM 0 HA GLU A 79 9.665 8.525 -2.607 1.00 75.14 H new ATOM 0 HB2 GLU A 79 8.730 11.103 -1.287 1.00 42.14 H new ATOM 0 HB3 GLU A 79 9.995 10.989 -2.494 1.00 42.14 H new ATOM 0 HG2 GLU A 79 8.344 10.067 -4.122 1.00 64.41 H new ATOM 0 HG3 GLU A 79 7.082 10.218 -2.915 1.00 64.41 H new ATOM 1277 N ALA A 80 10.104 8.837 0.581 1.00 22.34 N ATOM 1278 CA ALA A 80 11.094 8.616 1.642 1.00 21.21 C ATOM 1279 C ALA A 80 11.856 7.299 1.411 1.00 73.34 C ATOM 1280 O ALA A 80 13.030 7.171 1.764 1.00 43.44 O ATOM 1281 CB ALA A 80 10.424 8.618 3.012 1.00 32.04 C ATOM 0 H ALA A 80 9.136 8.836 0.902 1.00 22.34 H new ATOM 0 HA ALA A 80 11.813 9.434 1.612 1.00 21.21 H new ATOM 0 HB1 ALA A 80 11.175 8.453 3.785 1.00 32.04 H new ATOM 0 HB2 ALA A 80 9.938 9.580 3.178 1.00 32.04 H new ATOM 0 HB3 ALA A 80 9.679 7.823 3.054 1.00 32.04 H new ATOM 1287 N GLU A 81 11.176 6.328 0.798 1.00 71.14 N ATOM 1288 CA GLU A 81 11.804 5.060 0.409 1.00 13.45 C ATOM 1289 C GLU A 81 12.444 5.165 -0.988 1.00 65.55 C ATOM 1290 O GLU A 81 12.861 4.162 -1.568 1.00 35.21 O ATOM 1291 CB GLU A 81 10.772 3.920 0.424 1.00 53.40 C ATOM 1292 CG GLU A 81 10.148 3.669 1.792 1.00 21.12 C ATOM 1293 CD GLU A 81 9.320 2.392 1.838 1.00 33.42 C ATOM 1294 OE1 GLU A 81 9.919 1.301 1.912 1.00 50.02 O ATOM 1295 OE2 GLU A 81 8.076 2.471 1.802 1.00 62.31 O ATOM 0 H GLU A 81 10.187 6.395 0.559 1.00 71.14 H new ATOM 0 HA GLU A 81 12.588 4.841 1.134 1.00 13.45 H new ATOM 0 HB2 GLU A 81 9.980 4.151 -0.289 1.00 53.40 H new ATOM 0 HB3 GLU A 81 11.253 3.004 0.081 1.00 53.40 H new ATOM 0 HG2 GLU A 81 10.938 3.612 2.541 1.00 21.12 H new ATOM 0 HG3 GLU A 81 9.516 4.516 2.059 1.00 21.12 H new ATOM 1302 N GLY A 82 12.518 6.386 -1.523 1.00 3.11 N ATOM 1303 CA GLY A 82 13.118 6.606 -2.836 1.00 0.31 C ATOM 1304 C GLY A 82 12.300 6.017 -3.980 1.00 32.50 C ATOM 1305 O GLY A 82 12.849 5.622 -5.010 1.00 22.22 O ATOM 0 H GLY A 82 12.172 7.231 -1.069 1.00 3.11 H new ATOM 0 HA2 GLY A 82 13.237 7.677 -2.998 1.00 0.31 H new ATOM 0 HA3 GLY A 82 14.116 6.168 -2.849 1.00 0.31 H new ATOM 1309 N ILE A 83 10.985 5.963 -3.803 1.00 63.31 N ATOM 1310 CA ILE A 83 10.089 5.416 -4.827 1.00 34.44 C ATOM 1311 C ILE A 83 9.725 6.476 -5.878 1.00 33.54 C ATOM 1312 O ILE A 83 9.316 7.588 -5.542 1.00 1.14 O ATOM 1313 CB ILE A 83 8.792 4.848 -4.195 1.00 14.30 C ATOM 1314 CG1 ILE A 83 9.136 3.716 -3.210 1.00 62.01 C ATOM 1315 CG2 ILE A 83 7.828 4.354 -5.278 1.00 74.32 C ATOM 1316 CD1 ILE A 83 7.931 3.116 -2.515 1.00 60.11 C ATOM 0 H ILE A 83 10.511 6.290 -2.961 1.00 63.31 H new ATOM 0 HA ILE A 83 10.627 4.605 -5.318 1.00 34.44 H new ATOM 0 HB ILE A 83 8.294 5.647 -3.646 1.00 14.30 H new ATOM 0 HG12 ILE A 83 9.662 2.927 -3.748 1.00 62.01 H new ATOM 0 HG13 ILE A 83 9.823 4.101 -2.456 1.00 62.01 H new ATOM 0 HG21 ILE A 83 6.926 3.960 -4.810 1.00 74.32 H new ATOM 0 HG22 ILE A 83 7.564 5.182 -5.935 1.00 74.32 H new ATOM 0 HG23 ILE A 83 8.307 3.567 -5.861 1.00 74.32 H new ATOM 0 HD11 ILE A 83 8.257 2.326 -1.838 1.00 60.11 H new ATOM 0 HD12 ILE A 83 7.416 3.890 -1.947 1.00 60.11 H new ATOM 0 HD13 ILE A 83 7.252 2.699 -3.259 1.00 60.11 H new ATOM 1328 N GLU A 84 9.891 6.123 -7.151 1.00 11.21 N ATOM 1329 CA GLU A 84 9.527 7.006 -8.262 1.00 4.41 C ATOM 1330 C GLU A 84 8.003 7.200 -8.344 1.00 4.14 C ATOM 1331 O GLU A 84 7.293 6.409 -8.971 1.00 13.23 O ATOM 1332 CB GLU A 84 10.064 6.421 -9.577 1.00 73.51 C ATOM 1333 CG GLU A 84 9.684 7.211 -10.826 1.00 54.31 C ATOM 1334 CD GLU A 84 10.181 6.547 -12.098 1.00 70.25 C ATOM 1335 OE1 GLU A 84 9.580 5.535 -12.521 1.00 2.41 O ATOM 1336 OE2 GLU A 84 11.190 7.014 -12.666 1.00 52.04 O ATOM 0 H GLU A 84 10.278 5.225 -7.442 1.00 11.21 H new ATOM 0 HA GLU A 84 9.975 7.985 -8.090 1.00 4.41 H new ATOM 0 HB2 GLU A 84 11.151 6.363 -9.516 1.00 73.51 H new ATOM 0 HB3 GLU A 84 9.696 5.401 -9.683 1.00 73.51 H new ATOM 0 HG2 GLU A 84 8.600 7.315 -10.872 1.00 54.31 H new ATOM 0 HG3 GLU A 84 10.098 8.217 -10.758 1.00 54.31 H new ATOM 1343 N VAL A 85 7.506 8.244 -7.685 1.00 71.52 N ATOM 1344 CA VAL A 85 6.074 8.556 -7.686 1.00 4.03 C ATOM 1345 C VAL A 85 5.764 9.731 -8.622 1.00 71.14 C ATOM 1346 O VAL A 85 6.303 10.827 -8.451 1.00 75.31 O ATOM 1347 CB VAL A 85 5.568 8.918 -6.265 1.00 30.13 C ATOM 1348 CG1 VAL A 85 4.050 9.093 -6.256 1.00 44.23 C ATOM 1349 CG2 VAL A 85 6.000 7.870 -5.241 1.00 2.45 C ATOM 0 H VAL A 85 8.075 8.892 -7.140 1.00 71.52 H new ATOM 0 HA VAL A 85 5.562 7.659 -8.035 1.00 4.03 H new ATOM 0 HB VAL A 85 6.022 9.868 -5.982 1.00 30.13 H new ATOM 0 HG11 VAL A 85 3.719 9.346 -5.249 1.00 44.23 H new ATOM 0 HG12 VAL A 85 3.772 9.894 -6.942 1.00 44.23 H new ATOM 0 HG13 VAL A 85 3.575 8.164 -6.571 1.00 44.23 H new ATOM 0 HG21 VAL A 85 5.631 8.151 -4.255 1.00 2.45 H new ATOM 0 HG22 VAL A 85 5.590 6.899 -5.519 1.00 2.45 H new ATOM 0 HG23 VAL A 85 7.088 7.811 -5.218 1.00 2.45 H new ATOM 1359 N SER A 86 4.903 9.500 -9.610 1.00 21.21 N ATOM 1360 CA SER A 86 4.420 10.582 -10.477 1.00 44.14 C ATOM 1361 C SER A 86 3.557 11.558 -9.670 1.00 30.32 C ATOM 1362 O SER A 86 2.858 11.145 -8.745 1.00 11.12 O ATOM 1363 CB SER A 86 3.612 10.022 -11.655 1.00 34.43 C ATOM 1364 OG SER A 86 4.371 9.077 -12.395 1.00 62.01 O ATOM 0 H SER A 86 4.524 8.579 -9.833 1.00 21.21 H new ATOM 0 HA SER A 86 5.286 11.111 -10.875 1.00 44.14 H new ATOM 0 HB2 SER A 86 2.702 9.551 -11.284 1.00 34.43 H new ATOM 0 HB3 SER A 86 3.305 10.838 -12.309 1.00 34.43 H new ATOM 0 HG SER A 86 3.832 8.735 -13.138 1.00 62.01 H new ATOM 1370 N GLU A 87 3.601 12.839 -10.038 1.00 4.23 N ATOM 1371 CA GLU A 87 2.959 13.917 -9.261 1.00 34.31 C ATOM 1372 C GLU A 87 1.484 13.643 -8.874 1.00 24.34 C ATOM 1373 O GLU A 87 1.042 14.065 -7.803 1.00 3.31 O ATOM 1374 CB GLU A 87 3.099 15.267 -9.998 1.00 45.54 C ATOM 1375 CG GLU A 87 3.032 15.188 -11.525 1.00 52.52 C ATOM 1376 CD GLU A 87 1.673 14.774 -12.055 1.00 33.42 C ATOM 1377 OE1 GLU A 87 0.765 15.628 -12.106 1.00 41.43 O ATOM 1378 OE2 GLU A 87 1.510 13.593 -12.433 1.00 54.31 O ATOM 0 H GLU A 87 4.079 13.165 -10.878 1.00 4.23 H new ATOM 0 HA GLU A 87 3.495 13.959 -8.313 1.00 34.31 H new ATOM 0 HB2 GLU A 87 2.311 15.936 -9.650 1.00 45.54 H new ATOM 0 HB3 GLU A 87 4.049 15.720 -9.715 1.00 45.54 H new ATOM 0 HG2 GLU A 87 3.294 16.160 -11.942 1.00 52.52 H new ATOM 0 HG3 GLU A 87 3.781 14.478 -11.876 1.00 52.52 H new ATOM 1385 N ILE A 88 0.726 12.949 -9.723 1.00 4.22 N ATOM 1386 CA ILE A 88 -0.671 12.585 -9.392 1.00 52.32 C ATOM 1387 C ILE A 88 -0.755 11.284 -8.569 1.00 22.43 C ATOM 1388 O ILE A 88 -1.813 10.659 -8.483 1.00 13.21 O ATOM 1389 CB ILE A 88 -1.548 12.430 -10.662 1.00 52.45 C ATOM 1390 CG1 ILE A 88 -0.899 11.450 -11.657 1.00 24.24 C ATOM 1391 CG2 ILE A 88 -1.805 13.790 -11.309 1.00 30.14 C ATOM 1392 CD1 ILE A 88 -1.694 11.250 -12.931 1.00 71.22 C ATOM 0 H ILE A 88 1.042 12.626 -10.637 1.00 4.22 H new ATOM 0 HA ILE A 88 -1.053 13.410 -8.791 1.00 52.32 H new ATOM 0 HB ILE A 88 -2.511 12.014 -10.367 1.00 52.45 H new ATOM 0 HG12 ILE A 88 0.095 11.815 -11.915 1.00 24.24 H new ATOM 0 HG13 ILE A 88 -0.767 10.485 -11.168 1.00 24.24 H new ATOM 0 HG21 ILE A 88 -2.422 13.659 -12.198 1.00 30.14 H new ATOM 0 HG22 ILE A 88 -2.322 14.438 -10.601 1.00 30.14 H new ATOM 0 HG23 ILE A 88 -0.855 14.244 -11.590 1.00 30.14 H new ATOM 0 HD11 ILE A 88 -1.171 10.547 -13.579 1.00 71.22 H new ATOM 0 HD12 ILE A 88 -2.680 10.854 -12.686 1.00 71.22 H new ATOM 0 HD13 ILE A 88 -1.804 12.205 -13.445 1.00 71.22 H new ATOM 1404 N GLY A 89 0.357 10.897 -7.953 1.00 15.44 N ATOM 1405 CA GLY A 89 0.389 9.688 -7.139 1.00 45.43 C ATOM 1406 C GLY A 89 0.369 8.397 -7.953 1.00 72.31 C ATOM 1407 O GLY A 89 -0.467 7.523 -7.722 1.00 64.15 O ATOM 0 H GLY A 89 1.243 11.400 -8.001 1.00 15.44 H new ATOM 0 HA2 GLY A 89 1.286 9.702 -6.519 1.00 45.43 H new ATOM 0 HA3 GLY A 89 -0.466 9.694 -6.463 1.00 45.43 H new ATOM 1411 N LYS A 90 1.289 8.272 -8.911 1.00 35.53 N ATOM 1412 CA LYS A 90 1.404 7.037 -9.713 1.00 43.31 C ATOM 1413 C LYS A 90 2.746 6.321 -9.492 1.00 64.33 C ATOM 1414 O LYS A 90 3.804 6.948 -9.456 1.00 25.02 O ATOM 1415 CB LYS A 90 1.217 7.326 -11.211 1.00 4.34 C ATOM 1416 CG LYS A 90 -0.237 7.522 -11.634 1.00 52.25 C ATOM 1417 CD LYS A 90 -0.370 7.608 -13.155 1.00 54.21 C ATOM 1418 CE LYS A 90 -1.827 7.648 -13.604 1.00 25.12 C ATOM 1419 NZ LYS A 90 -1.951 7.684 -15.086 1.00 32.24 N ATOM 0 H LYS A 90 1.962 8.999 -9.154 1.00 35.53 H new ATOM 0 HA LYS A 90 0.607 6.376 -9.372 1.00 43.31 H new ATOM 0 HB2 LYS A 90 1.783 8.221 -11.470 1.00 4.34 H new ATOM 0 HB3 LYS A 90 1.643 6.502 -11.784 1.00 4.34 H new ATOM 0 HG2 LYS A 90 -0.841 6.695 -11.261 1.00 52.25 H new ATOM 0 HG3 LYS A 90 -0.630 8.432 -11.181 1.00 52.25 H new ATOM 0 HD2 LYS A 90 0.143 8.500 -13.513 1.00 54.21 H new ATOM 0 HD3 LYS A 90 0.125 6.751 -13.611 1.00 54.21 H new ATOM 0 HE2 LYS A 90 -2.350 6.773 -13.217 1.00 25.12 H new ATOM 0 HE3 LYS A 90 -2.314 8.525 -13.178 1.00 25.12 H new ATOM 0 HZ1 LYS A 90 -2.957 7.711 -15.350 1.00 32.24 H new ATOM 0 HZ2 LYS A 90 -1.474 8.532 -15.454 1.00 32.24 H new ATOM 0 HZ3 LYS A 90 -1.509 6.835 -15.492 1.00 32.24 H new ATOM 1433 N ILE A 91 2.690 4.994 -9.369 1.00 32.11 N ATOM 1434 CA ILE A 91 3.884 4.164 -9.151 1.00 71.01 C ATOM 1435 C ILE A 91 3.921 2.978 -10.127 1.00 0.03 C ATOM 1436 O ILE A 91 2.900 2.327 -10.366 1.00 75.11 O ATOM 1437 CB ILE A 91 3.927 3.614 -7.701 1.00 11.13 C ATOM 1438 CG1 ILE A 91 3.947 4.765 -6.683 1.00 11.12 C ATOM 1439 CG2 ILE A 91 5.136 2.697 -7.501 1.00 44.21 C ATOM 1440 CD1 ILE A 91 3.956 4.302 -5.242 1.00 60.21 C ATOM 0 H ILE A 91 1.821 4.462 -9.417 1.00 32.11 H new ATOM 0 HA ILE A 91 4.750 4.804 -9.323 1.00 71.01 H new ATOM 0 HB ILE A 91 3.024 3.026 -7.536 1.00 11.13 H new ATOM 0 HG12 ILE A 91 4.827 5.382 -6.863 1.00 11.12 H new ATOM 0 HG13 ILE A 91 3.075 5.398 -6.847 1.00 11.12 H new ATOM 0 HG21 ILE A 91 5.144 2.324 -6.477 1.00 44.21 H new ATOM 0 HG22 ILE A 91 5.074 1.857 -8.193 1.00 44.21 H new ATOM 0 HG23 ILE A 91 6.052 3.256 -7.691 1.00 44.21 H new ATOM 0 HD11 ILE A 91 3.970 5.169 -4.581 1.00 60.21 H new ATOM 0 HD12 ILE A 91 3.062 3.710 -5.045 1.00 60.21 H new ATOM 0 HD13 ILE A 91 4.842 3.693 -5.061 1.00 60.21 H new ATOM 1452 N ALA A 92 5.096 2.693 -10.689 1.00 71.42 N ATOM 1453 CA ALA A 92 5.255 1.541 -11.581 1.00 60.32 C ATOM 1454 C ALA A 92 5.405 0.235 -10.783 1.00 64.11 C ATOM 1455 O ALA A 92 6.512 -0.149 -10.395 1.00 25.04 O ATOM 1456 CB ALA A 92 6.451 1.747 -12.509 1.00 34.32 C ATOM 0 H ALA A 92 5.946 3.238 -10.545 1.00 71.42 H new ATOM 0 HA ALA A 92 4.354 1.457 -12.188 1.00 60.32 H new ATOM 0 HB1 ALA A 92 6.556 0.883 -13.165 1.00 34.32 H new ATOM 0 HB2 ALA A 92 6.295 2.642 -13.111 1.00 34.32 H new ATOM 0 HB3 ALA A 92 7.357 1.863 -11.914 1.00 34.32 H new ATOM 1462 N LEU A 93 4.283 -0.447 -10.544 1.00 31.32 N ATOM 1463 CA LEU A 93 4.283 -1.712 -9.793 1.00 5.40 C ATOM 1464 C LEU A 93 5.181 -2.756 -10.470 1.00 42.55 C ATOM 1465 O LEU A 93 5.734 -3.635 -9.816 1.00 73.31 O ATOM 1466 CB LEU A 93 2.854 -2.257 -9.665 1.00 32.24 C ATOM 1467 CG LEU A 93 1.859 -1.337 -8.940 1.00 4.52 C ATOM 1468 CD1 LEU A 93 0.470 -1.975 -8.885 1.00 2.42 C ATOM 1469 CD2 LEU A 93 2.360 -1.002 -7.536 1.00 23.45 C ATOM 0 H LEU A 93 3.360 -0.147 -10.858 1.00 31.32 H new ATOM 0 HA LEU A 93 4.679 -1.511 -8.798 1.00 5.40 H new ATOM 0 HB2 LEU A 93 2.471 -2.462 -10.665 1.00 32.24 H new ATOM 0 HB3 LEU A 93 2.893 -3.210 -9.137 1.00 32.24 H new ATOM 0 HG LEU A 93 1.781 -0.407 -9.504 1.00 4.52 H new ATOM 0 HD11 LEU A 93 -0.217 -1.306 -8.367 1.00 2.42 H new ATOM 0 HD12 LEU A 93 0.110 -2.152 -9.899 1.00 2.42 H new ATOM 0 HD13 LEU A 93 0.526 -2.923 -8.350 1.00 2.42 H new ATOM 0 HD21 LEU A 93 1.642 -0.350 -7.039 1.00 23.45 H new ATOM 0 HD22 LEU A 93 2.474 -1.921 -6.961 1.00 23.45 H new ATOM 0 HD23 LEU A 93 3.323 -0.496 -7.604 1.00 23.45 H new ATOM 1481 N ARG A 94 5.329 -2.626 -11.785 1.00 0.14 N ATOM 1482 CA ARG A 94 6.165 -3.523 -12.594 1.00 44.40 C ATOM 1483 C ARG A 94 7.557 -3.747 -11.966 1.00 41.13 C ATOM 1484 O ARG A 94 8.085 -4.860 -11.988 1.00 42.20 O ATOM 1485 CB ARG A 94 6.311 -2.925 -14.000 1.00 21.23 C ATOM 1486 CG ARG A 94 6.995 -3.835 -15.017 1.00 1.24 C ATOM 1487 CD ARG A 94 7.033 -3.187 -16.396 1.00 12.44 C ATOM 1488 NE ARG A 94 7.554 -4.083 -17.423 1.00 70.12 N ATOM 1489 CZ ARG A 94 7.400 -3.883 -18.701 1.00 11.01 C ATOM 1490 NH1 ARG A 94 6.760 -2.838 -19.127 1.00 55.23 N ATOM 1491 NH2 ARG A 94 7.888 -4.726 -19.552 1.00 13.25 N ATOM 0 H ARG A 94 4.872 -1.893 -12.327 1.00 0.14 H new ATOM 0 HA ARG A 94 5.678 -4.497 -12.641 1.00 44.40 H new ATOM 0 HB2 ARG A 94 5.320 -2.667 -14.374 1.00 21.23 H new ATOM 0 HB3 ARG A 94 6.877 -1.996 -13.927 1.00 21.23 H new ATOM 0 HG2 ARG A 94 8.010 -4.055 -14.687 1.00 1.24 H new ATOM 0 HG3 ARG A 94 6.465 -4.786 -15.073 1.00 1.24 H new ATOM 0 HD2 ARG A 94 6.027 -2.870 -16.672 1.00 12.44 H new ATOM 0 HD3 ARG A 94 7.650 -2.290 -16.355 1.00 12.44 H new ATOM 0 HE ARG A 94 8.067 -4.912 -17.124 1.00 70.12 H new ATOM 0 HH11 ARG A 94 6.375 -2.169 -18.460 1.00 55.23 H new ATOM 0 HH12 ARG A 94 6.642 -2.685 -20.129 1.00 55.23 H new ATOM 0 HH21 ARG A 94 8.394 -5.548 -19.223 1.00 13.25 H new ATOM 0 HH22 ARG A 94 7.767 -4.569 -20.552 1.00 13.25 H new ATOM 1505 N LYS A 95 8.140 -2.687 -11.400 1.00 13.31 N ATOM 1506 CA LYS A 95 9.471 -2.770 -10.777 1.00 21.34 C ATOM 1507 C LYS A 95 9.414 -2.579 -9.246 1.00 54.34 C ATOM 1508 O LYS A 95 10.370 -2.897 -8.532 1.00 32.04 O ATOM 1509 CB LYS A 95 10.415 -1.738 -11.421 1.00 73.40 C ATOM 1510 CG LYS A 95 9.910 -0.296 -11.356 1.00 64.21 C ATOM 1511 CD LYS A 95 10.819 0.658 -12.133 1.00 44.23 C ATOM 1512 CE LYS A 95 10.316 2.099 -12.080 1.00 74.14 C ATOM 1513 NZ LYS A 95 11.166 3.019 -12.882 1.00 54.41 N ATOM 0 H LYS A 95 7.715 -1.761 -11.358 1.00 13.31 H new ATOM 0 HA LYS A 95 9.858 -3.773 -10.954 1.00 21.34 H new ATOM 0 HB2 LYS A 95 11.385 -1.793 -10.928 1.00 73.40 H new ATOM 0 HB3 LYS A 95 10.572 -2.009 -12.465 1.00 73.40 H new ATOM 0 HG2 LYS A 95 8.899 -0.246 -11.761 1.00 64.21 H new ATOM 0 HG3 LYS A 95 9.853 0.023 -10.315 1.00 64.21 H new ATOM 0 HD2 LYS A 95 11.828 0.611 -11.724 1.00 44.23 H new ATOM 0 HD3 LYS A 95 10.881 0.334 -13.172 1.00 44.23 H new ATOM 0 HE2 LYS A 95 9.291 2.138 -12.450 1.00 74.14 H new ATOM 0 HE3 LYS A 95 10.294 2.437 -11.044 1.00 74.14 H new ATOM 0 HZ1 LYS A 95 10.750 3.972 -12.873 1.00 54.41 H new ATOM 0 HZ2 LYS A 95 12.121 3.054 -12.473 1.00 54.41 H new ATOM 0 HZ3 LYS A 95 11.221 2.675 -13.862 1.00 54.41 H new ATOM 1527 N TYR A 96 8.292 -2.069 -8.738 1.00 60.24 N ATOM 1528 CA TYR A 96 8.129 -1.854 -7.290 1.00 51.40 C ATOM 1529 C TYR A 96 7.263 -2.942 -6.633 1.00 4.42 C ATOM 1530 O TYR A 96 6.886 -2.818 -5.466 1.00 54.53 O ATOM 1531 CB TYR A 96 7.530 -0.467 -7.019 1.00 33.14 C ATOM 1532 CG TYR A 96 8.487 0.671 -7.320 1.00 42.12 C ATOM 1533 CD1 TYR A 96 9.547 0.952 -6.464 1.00 21.53 C ATOM 1534 CD2 TYR A 96 8.334 1.463 -8.452 1.00 64.53 C ATOM 1535 CE1 TYR A 96 10.425 1.982 -6.729 1.00 51.02 C ATOM 1536 CE2 TYR A 96 9.209 2.494 -8.723 1.00 43.14 C ATOM 1537 CZ TYR A 96 10.252 2.750 -7.859 1.00 13.21 C ATOM 1538 OH TYR A 96 11.125 3.777 -8.126 1.00 21.31 O ATOM 0 H TYR A 96 7.484 -1.797 -9.299 1.00 60.24 H new ATOM 0 HA TYR A 96 9.121 -1.913 -6.843 1.00 51.40 H new ATOM 0 HB2 TYR A 96 6.630 -0.344 -7.621 1.00 33.14 H new ATOM 0 HB3 TYR A 96 7.225 -0.409 -5.974 1.00 33.14 H new ATOM 0 HD1 TYR A 96 9.685 0.353 -5.576 1.00 21.53 H new ATOM 0 HD2 TYR A 96 7.517 1.268 -9.130 1.00 64.53 H new ATOM 0 HE1 TYR A 96 11.243 2.185 -6.054 1.00 51.02 H new ATOM 0 HE2 TYR A 96 9.078 3.098 -9.608 1.00 43.14 H new ATOM 0 HH TYR A 96 11.196 3.902 -9.095 1.00 21.31 H new ATOM 1548 N LYS A 97 6.963 -4.006 -7.377 1.00 1.03 N ATOM 1549 CA LYS A 97 6.167 -5.122 -6.847 1.00 74.02 C ATOM 1550 C LYS A 97 6.944 -5.929 -5.791 1.00 55.23 C ATOM 1551 O LYS A 97 8.092 -6.332 -6.005 1.00 11.13 O ATOM 1552 CB LYS A 97 5.708 -6.049 -7.989 1.00 45.11 C ATOM 1553 CG LYS A 97 6.853 -6.685 -8.780 1.00 34.53 C ATOM 1554 CD LYS A 97 6.339 -7.534 -9.943 1.00 1.12 C ATOM 1555 CE LYS A 97 7.472 -8.261 -10.665 1.00 21.23 C ATOM 1556 NZ LYS A 97 8.486 -7.322 -11.218 1.00 24.44 N ATOM 0 H LYS A 97 7.257 -4.122 -8.347 1.00 1.03 H new ATOM 0 HA LYS A 97 5.291 -4.693 -6.360 1.00 74.02 H new ATOM 0 HB2 LYS A 97 5.086 -6.841 -7.571 1.00 45.11 H new ATOM 0 HB3 LYS A 97 5.081 -5.479 -8.674 1.00 45.11 H new ATOM 0 HG2 LYS A 97 7.508 -5.903 -9.163 1.00 34.53 H new ATOM 0 HG3 LYS A 97 7.453 -7.306 -8.115 1.00 34.53 H new ATOM 0 HD2 LYS A 97 5.620 -8.263 -9.570 1.00 1.12 H new ATOM 0 HD3 LYS A 97 5.808 -6.897 -10.650 1.00 1.12 H new ATOM 0 HE2 LYS A 97 7.957 -8.950 -9.973 1.00 21.23 H new ATOM 0 HE3 LYS A 97 7.057 -8.862 -11.474 1.00 21.23 H new ATOM 0 HZ1 LYS A 97 9.008 -7.788 -11.987 1.00 24.44 H new ATOM 0 HZ2 LYS A 97 8.009 -6.474 -11.587 1.00 24.44 H new ATOM 0 HZ3 LYS A 97 9.150 -7.046 -10.467 1.00 24.44 H new ATOM 1570 N TRP A 98 6.310 -6.162 -4.648 1.00 52.40 N ATOM 1571 CA TRP A 98 6.925 -6.930 -3.563 1.00 70.23 C ATOM 1572 C TRP A 98 6.687 -8.438 -3.725 1.00 24.04 C ATOM 1573 O TRP A 98 5.566 -8.885 -3.974 1.00 24.24 O ATOM 1574 CB TRP A 98 6.387 -6.459 -2.202 1.00 12.21 C ATOM 1575 CG TRP A 98 6.868 -7.290 -1.042 1.00 54.34 C ATOM 1576 CD1 TRP A 98 8.130 -7.772 -0.840 1.00 11.21 C ATOM 1577 CD2 TRP A 98 6.091 -7.723 0.082 1.00 1.44 C ATOM 1578 NE1 TRP A 98 8.180 -8.493 0.326 1.00 11.41 N ATOM 1579 CE2 TRP A 98 6.943 -8.471 0.916 1.00 33.51 C ATOM 1580 CE3 TRP A 98 4.755 -7.551 0.462 1.00 45.32 C ATOM 1581 CZ2 TRP A 98 6.503 -9.046 2.105 1.00 73.24 C ATOM 1582 CZ3 TRP A 98 4.321 -8.121 1.642 1.00 55.40 C ATOM 1583 CH2 TRP A 98 5.193 -8.860 2.453 1.00 2.23 C ATOM 0 H TRP A 98 5.367 -5.830 -4.445 1.00 52.40 H new ATOM 0 HA TRP A 98 8.000 -6.754 -3.608 1.00 70.23 H new ATOM 0 HB2 TRP A 98 6.684 -5.422 -2.043 1.00 12.21 H new ATOM 0 HB3 TRP A 98 5.297 -6.479 -2.225 1.00 12.21 H new ATOM 0 HD1 TRP A 98 8.967 -7.609 -1.502 1.00 11.21 H new ATOM 0 HE1 TRP A 98 9.004 -8.968 0.694 1.00 11.41 H new ATOM 0 HE3 TRP A 98 4.076 -6.983 -0.157 1.00 45.32 H new ATOM 0 HZ2 TRP A 98 7.172 -9.619 2.730 1.00 73.24 H new ATOM 0 HZ3 TRP A 98 3.292 -7.995 1.945 1.00 55.40 H new ATOM 0 HH2 TRP A 98 4.823 -9.291 3.371 1.00 2.23 H new ATOM 1594 N GLN A 99 7.756 -9.216 -3.579 1.00 41.04 N ATOM 1595 CA GLN A 99 7.672 -10.677 -3.609 1.00 31.42 C ATOM 1596 C GLN A 99 8.147 -11.275 -2.271 1.00 1.41 C ATOM 1597 O GLN A 99 9.350 -11.381 -2.022 1.00 32.22 O ATOM 1598 CB GLN A 99 8.516 -11.234 -4.767 1.00 2.03 C ATOM 1599 CG GLN A 99 8.021 -10.818 -6.150 1.00 73.33 C ATOM 1600 CD GLN A 99 8.937 -11.287 -7.267 1.00 74.32 C ATOM 1601 OE1 GLN A 99 9.856 -10.582 -7.673 1.00 41.52 O ATOM 1602 NE2 GLN A 99 8.696 -12.481 -7.769 1.00 54.40 N ATOM 0 H GLN A 99 8.700 -8.857 -3.437 1.00 41.04 H new ATOM 0 HA GLN A 99 6.631 -10.959 -3.764 1.00 31.42 H new ATOM 0 HB2 GLN A 99 9.547 -10.901 -4.645 1.00 2.03 H new ATOM 0 HB3 GLN A 99 8.524 -12.322 -4.707 1.00 2.03 H new ATOM 0 HG2 GLN A 99 7.022 -11.223 -6.311 1.00 73.33 H new ATOM 0 HG3 GLN A 99 7.934 -9.732 -6.189 1.00 73.33 H new ATOM 0 HE21 GLN A 99 7.923 -13.040 -7.407 1.00 54.40 H new ATOM 0 HE22 GLN A 99 9.282 -12.847 -8.519 1.00 54.40 H new ATOM 1611 N PRO A 100 7.208 -11.647 -1.373 1.00 22.54 N ATOM 1612 CA PRO A 100 7.551 -12.261 -0.075 1.00 51.14 C ATOM 1613 C PRO A 100 8.273 -13.607 -0.239 1.00 50.43 C ATOM 1614 O PRO A 100 9.075 -14.008 0.606 1.00 12.15 O ATOM 1615 CB PRO A 100 6.183 -12.452 0.610 1.00 11.03 C ATOM 1616 CG PRO A 100 5.186 -12.423 -0.501 1.00 15.00 C ATOM 1617 CD PRO A 100 5.749 -11.490 -1.540 1.00 42.25 C ATOM 0 HA PRO A 100 8.240 -11.642 0.499 1.00 51.14 H new ATOM 0 HB2 PRO A 100 6.142 -13.397 1.152 1.00 11.03 H new ATOM 0 HB3 PRO A 100 5.990 -11.660 1.334 1.00 11.03 H new ATOM 0 HG2 PRO A 100 5.033 -13.420 -0.914 1.00 15.00 H new ATOM 0 HG3 PRO A 100 4.217 -12.073 -0.146 1.00 15.00 H new ATOM 0 HD2 PRO A 100 5.426 -11.763 -2.545 1.00 42.25 H new ATOM 0 HD3 PRO A 100 5.432 -10.461 -1.372 1.00 42.25 H new