USER MOD reduce.3.24.130724 H: found=0, std=0, add=760, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 761 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 74 TYR OH : rot 150:sc= 0.813 USER MOD Set 1.2: A 76 LYS NZ :NH3+ 173:sc= -1.71! (180deg=-3.14!) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= -3.62! C(o=-3.6!,f=-5.1!) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= -1.75 K(o=-1.8,f=-6.2!) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot -47:sc= 0.915 USER MOD Single : A 31 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.101) USER MOD Single : A 34 GLN : amide:sc=-0.00937 K(o=-0.0094,f=-1.7!) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ -166:sc= -0.0139 (180deg=-0.225) USER MOD Single : A 42 TYR OH : rot 166:sc= 0.00472 USER MOD Single : A 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 138:sc= -2.12 (180deg=-4.04!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot 22:sc= 0.507 USER MOD Single : A 52 ASN : amide:sc= -0.022 X(o=-0.022,f=-0.022) USER MOD Single : A 56 TYR OH : rot -161:sc= -3.26! USER MOD Single : A 62 CYS SG : rot -120:sc= -1.51 USER MOD Single : A 63 TYR OH : rot -144:sc= -0.291! USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= -0.815 K(o=-0.82,f=-4.1!) USER MOD Single : A 75 ASN : amide:sc= -3.35 K(o=-3.3,f=-1.9!) USER MOD Single : A 82 LYS NZ :NH3+ 167:sc= -1.15 (180deg=-1.59!) USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 LYS NZ :NH3+ -165:sc= -0.0358 (180deg=-0.357) USER MOD ----------------------------------------------------------------- ATOM 79 N PRO A 6 15.699 -8.943 4.151 1.00 1.00 N ATOM 80 CA PRO A 6 14.267 -9.204 3.871 1.00 1.00 C ATOM 81 C PRO A 6 14.067 -9.938 2.548 1.00 1.00 C ATOM 82 O PRO A 6 13.005 -9.852 1.934 1.00 1.00 O ATOM 83 CB PRO A 6 13.630 -7.800 3.852 1.00 1.00 C ATOM 84 CG PRO A 6 14.740 -6.852 3.477 1.00 1.00 C ATOM 85 CD PRO A 6 16.072 -7.574 3.743 1.00 1.00 C ATOM 0 HA PRO A 6 13.812 -9.857 4.616 1.00 1.00 H new ATOM 0 HB2 PRO A 6 12.813 -7.751 3.132 1.00 1.00 H new ATOM 0 HB3 PRO A 6 13.212 -7.547 4.826 1.00 1.00 H new ATOM 0 HG2 PRO A 6 14.662 -6.565 2.428 1.00 1.00 H new ATOM 0 HG3 PRO A 6 14.676 -5.936 4.064 1.00 1.00 H new ATOM 0 HD2 PRO A 6 16.698 -7.586 2.851 1.00 1.00 H new ATOM 0 HD3 PRO A 6 16.642 -7.072 4.525 1.00 1.00 H new ATOM 93 N GLU A 7 15.074 -10.671 2.082 1.00 1.00 N ATOM 94 CA GLU A 7 14.980 -11.407 0.832 1.00 1.00 C ATOM 95 C GLU A 7 14.124 -12.652 1.009 1.00 1.00 C ATOM 96 O GLU A 7 13.250 -12.923 0.185 1.00 1.00 O ATOM 97 CB GLU A 7 16.382 -11.793 0.350 1.00 1.00 C ATOM 98 CG GLU A 7 16.289 -12.488 -1.013 1.00 1.00 C ATOM 99 CD GLU A 7 17.686 -12.762 -1.559 1.00 1.00 C ATOM 100 OE1 GLU A 7 18.628 -12.175 -1.052 1.00 1.00 O ATOM 101 OE2 GLU A 7 17.793 -13.554 -2.482 1.00 1.00 O ATOM 0 H GLU A 7 15.971 -10.769 2.558 1.00 1.00 H new ATOM 0 HA GLU A 7 14.509 -10.769 0.084 1.00 1.00 H new ATOM 0 HB2 GLU A 7 17.008 -10.904 0.273 1.00 1.00 H new ATOM 0 HB3 GLU A 7 16.856 -12.455 1.075 1.00 1.00 H new ATOM 0 HG2 GLU A 7 15.738 -13.424 -0.916 1.00 1.00 H new ATOM 0 HG3 GLU A 7 15.734 -11.862 -1.712 1.00 1.00 H new ATOM 108 N GLU A 8 14.377 -13.400 2.078 1.00 1.00 N ATOM 109 CA GLU A 8 13.621 -14.618 2.362 1.00 1.00 C ATOM 110 C GLU A 8 12.225 -14.277 2.867 1.00 1.00 C ATOM 111 O GLU A 8 11.262 -14.997 2.603 1.00 1.00 O ATOM 112 CB GLU A 8 14.353 -15.465 3.407 1.00 1.00 C ATOM 113 CG GLU A 8 15.689 -15.951 2.832 1.00 1.00 C ATOM 114 CD GLU A 8 16.665 -14.785 2.712 1.00 1.00 C ATOM 115 OE1 GLU A 8 16.471 -13.799 3.404 1.00 1.00 O ATOM 116 OE2 GLU A 8 17.597 -14.895 1.932 1.00 1.00 O ATOM 0 H GLU A 8 15.101 -13.185 2.764 1.00 1.00 H new ATOM 0 HA GLU A 8 13.532 -15.187 1.437 1.00 1.00 H new ATOM 0 HB2 GLU A 8 14.526 -14.878 4.309 1.00 1.00 H new ATOM 0 HB3 GLU A 8 13.738 -16.318 3.694 1.00 1.00 H new ATOM 0 HG2 GLU A 8 16.111 -16.723 3.475 1.00 1.00 H new ATOM 0 HG3 GLU A 8 15.529 -16.403 1.853 1.00 1.00 H new ATOM 123 N TYR A 9 12.109 -13.176 3.602 1.00 1.00 N ATOM 124 CA TYR A 9 10.831 -12.746 4.145 1.00 1.00 C ATOM 125 C TYR A 9 9.787 -12.644 3.035 1.00 1.00 C ATOM 126 O TYR A 9 8.585 -12.706 3.293 1.00 1.00 O ATOM 127 CB TYR A 9 10.997 -11.378 4.845 1.00 1.00 C ATOM 128 CG TYR A 9 11.499 -11.576 6.266 1.00 1.00 C ATOM 129 CD1 TYR A 9 12.861 -11.794 6.512 1.00 1.00 C ATOM 130 CD2 TYR A 9 10.594 -11.539 7.334 1.00 1.00 C ATOM 131 CE1 TYR A 9 13.315 -11.975 7.824 1.00 1.00 C ATOM 132 CE2 TYR A 9 11.048 -11.723 8.642 1.00 1.00 C ATOM 133 CZ TYR A 9 12.407 -11.943 8.888 1.00 1.00 C ATOM 134 OH TYR A 9 12.855 -12.118 10.182 1.00 1.00 O ATOM 0 H TYR A 9 12.891 -12.564 3.835 1.00 1.00 H new ATOM 0 HA TYR A 9 10.491 -13.483 4.872 1.00 1.00 H new ATOM 0 HB2 TYR A 9 11.698 -10.758 4.287 1.00 1.00 H new ATOM 0 HB3 TYR A 9 10.044 -10.849 4.858 1.00 1.00 H new ATOM 0 HD1 TYR A 9 13.561 -11.822 5.690 1.00 1.00 H new ATOM 0 HD2 TYR A 9 9.544 -11.368 7.146 1.00 1.00 H new ATOM 0 HE1 TYR A 9 14.365 -12.139 8.015 1.00 1.00 H new ATOM 0 HE2 TYR A 9 10.349 -11.695 9.465 1.00 1.00 H new ATOM 0 HH TYR A 9 12.097 -12.066 10.801 1.00 1.00 H new ATOM 144 N TYR A 10 10.226 -12.491 1.789 1.00 1.00 N ATOM 145 CA TYR A 10 9.321 -12.383 0.654 1.00 1.00 C ATOM 146 C TYR A 10 8.276 -13.502 0.694 1.00 1.00 C ATOM 147 O TYR A 10 7.261 -13.460 0.000 1.00 1.00 O ATOM 148 CB TYR A 10 10.135 -12.450 -0.662 1.00 1.00 C ATOM 149 CG TYR A 10 10.177 -13.880 -1.190 1.00 1.00 C ATOM 150 CD1 TYR A 10 10.971 -14.838 -0.551 1.00 1.00 C ATOM 151 CD2 TYR A 10 9.394 -14.245 -2.292 1.00 1.00 C ATOM 152 CE1 TYR A 10 10.991 -16.157 -1.016 1.00 1.00 C ATOM 153 CE2 TYR A 10 9.410 -15.564 -2.755 1.00 1.00 C ATOM 154 CZ TYR A 10 10.210 -16.519 -2.119 1.00 1.00 C ATOM 155 OH TYR A 10 10.226 -17.820 -2.577 1.00 1.00 O ATOM 0 H TYR A 10 11.214 -12.439 1.541 1.00 1.00 H new ATOM 0 HA TYR A 10 8.798 -11.428 0.703 1.00 1.00 H new ATOM 0 HB2 TYR A 10 9.687 -11.793 -1.408 1.00 1.00 H new ATOM 0 HB3 TYR A 10 11.149 -12.090 -0.488 1.00 1.00 H new ATOM 0 HD1 TYR A 10 11.570 -14.559 0.303 1.00 1.00 H new ATOM 0 HD2 TYR A 10 8.778 -13.507 -2.784 1.00 1.00 H new ATOM 0 HE1 TYR A 10 11.608 -16.895 -0.525 1.00 1.00 H new ATOM 0 HE2 TYR A 10 8.805 -15.846 -3.604 1.00 1.00 H new ATOM 0 HH TYR A 10 9.628 -17.903 -3.349 1.00 1.00 H new ATOM 165 N LEU A 11 8.515 -14.522 1.512 1.00 1.00 N ATOM 166 CA LEU A 11 7.600 -15.650 1.621 1.00 1.00 C ATOM 167 C LEU A 11 6.174 -15.163 1.789 1.00 1.00 C ATOM 168 O LEU A 11 5.228 -15.906 1.530 1.00 1.00 O ATOM 169 CB LEU A 11 8.011 -16.532 2.814 1.00 1.00 C ATOM 170 CG LEU A 11 7.687 -15.828 4.176 1.00 1.00 C ATOM 171 CD1 LEU A 11 6.386 -16.382 4.776 1.00 1.00 C ATOM 172 CD2 LEU A 11 8.826 -16.074 5.175 1.00 1.00 C ATOM 0 H LEU A 11 9.338 -14.589 2.111 1.00 1.00 H new ATOM 0 HA LEU A 11 7.651 -16.240 0.706 1.00 1.00 H new ATOM 0 HB2 LEU A 11 7.488 -17.487 2.761 1.00 1.00 H new ATOM 0 HB3 LEU A 11 9.078 -16.750 2.759 1.00 1.00 H new ATOM 0 HG LEU A 11 7.575 -14.760 3.986 1.00 1.00 H new ATOM 0 HD11 LEU A 11 6.179 -15.880 5.721 1.00 1.00 H new ATOM 0 HD12 LEU A 11 5.562 -16.207 4.084 1.00 1.00 H new ATOM 0 HD13 LEU A 11 6.492 -17.453 4.949 1.00 1.00 H new ATOM 0 HD21 LEU A 11 8.594 -15.582 6.120 1.00 1.00 H new ATOM 0 HD22 LEU A 11 8.938 -17.145 5.342 1.00 1.00 H new ATOM 0 HD23 LEU A 11 9.755 -15.670 4.774 1.00 1.00 H new ATOM 184 N GLU A 12 6.060 -13.913 2.222 1.00 1.00 N ATOM 185 CA GLU A 12 4.743 -13.348 2.437 1.00 1.00 C ATOM 186 C GLU A 12 3.918 -13.403 1.163 1.00 1.00 C ATOM 187 O GLU A 12 2.811 -13.943 1.171 1.00 1.00 O ATOM 188 CB GLU A 12 4.908 -11.898 2.900 1.00 1.00 C ATOM 189 CG GLU A 12 3.540 -11.237 3.142 1.00 1.00 C ATOM 190 CD GLU A 12 2.892 -10.798 1.825 1.00 1.00 C ATOM 191 OE1 GLU A 12 3.621 -10.455 0.908 1.00 1.00 O ATOM 192 OE2 GLU A 12 1.674 -10.811 1.756 1.00 1.00 O ATOM 0 H GLU A 12 6.842 -13.290 2.425 1.00 1.00 H new ATOM 0 HA GLU A 12 4.218 -13.926 3.197 1.00 1.00 H new ATOM 0 HB2 GLU A 12 5.497 -11.870 3.817 1.00 1.00 H new ATOM 0 HB3 GLU A 12 5.461 -11.333 2.149 1.00 1.00 H new ATOM 0 HG2 GLU A 12 2.882 -11.936 3.658 1.00 1.00 H new ATOM 0 HG3 GLU A 12 3.662 -10.373 3.795 1.00 1.00 H new ATOM 199 N GLY A 13 4.481 -12.846 0.096 1.00 1.00 N ATOM 200 CA GLY A 13 3.802 -12.834 -1.213 1.00 1.00 C ATOM 201 C GLY A 13 2.968 -14.101 -1.414 1.00 1.00 C ATOM 202 O GLY A 13 1.914 -14.083 -2.052 1.00 1.00 O ATOM 0 H GLY A 13 5.397 -12.398 0.102 1.00 1.00 H new ATOM 0 HA2 GLY A 13 3.159 -11.957 -1.284 1.00 1.00 H new ATOM 0 HA3 GLY A 13 4.542 -12.752 -2.009 1.00 1.00 H new ATOM 206 N VAL A 14 3.442 -15.208 -0.850 1.00 1.00 N ATOM 207 CA VAL A 14 2.729 -16.476 -0.953 1.00 1.00 C ATOM 208 C VAL A 14 1.540 -16.499 -0.006 1.00 1.00 C ATOM 209 O VAL A 14 0.417 -16.793 -0.416 1.00 1.00 O ATOM 210 CB VAL A 14 3.663 -17.636 -0.602 1.00 1.00 C ATOM 211 CG1 VAL A 14 2.950 -18.971 -0.836 1.00 1.00 C ATOM 212 CG2 VAL A 14 4.913 -17.555 -1.475 1.00 1.00 C ATOM 0 H VAL A 14 4.312 -15.253 -0.320 1.00 1.00 H new ATOM 0 HA VAL A 14 2.376 -16.583 -1.979 1.00 1.00 H new ATOM 0 HB VAL A 14 3.946 -17.569 0.448 1.00 1.00 H new ATOM 0 HG11 VAL A 14 3.622 -19.791 -0.584 1.00 1.00 H new ATOM 0 HG12 VAL A 14 2.061 -19.024 -0.208 1.00 1.00 H new ATOM 0 HG13 VAL A 14 2.659 -19.049 -1.884 1.00 1.00 H new ATOM 0 HG21 VAL A 14 5.582 -18.379 -1.229 1.00 1.00 H new ATOM 0 HG22 VAL A 14 4.628 -17.620 -2.525 1.00 1.00 H new ATOM 0 HG23 VAL A 14 5.422 -16.608 -1.295 1.00 1.00 H new ATOM 222 N LEU A 15 1.776 -16.193 1.266 1.00 1.00 N ATOM 223 CA LEU A 15 0.713 -16.193 2.272 1.00 1.00 C ATOM 224 C LEU A 15 -0.533 -15.521 1.726 1.00 1.00 C ATOM 225 O LEU A 15 -1.552 -16.186 1.541 1.00 1.00 O ATOM 226 CB LEU A 15 1.160 -15.440 3.537 1.00 1.00 C ATOM 227 CG LEU A 15 2.414 -16.086 4.144 1.00 1.00 C ATOM 228 CD1 LEU A 15 2.830 -15.291 5.390 1.00 1.00 C ATOM 229 CD2 LEU A 15 2.128 -17.556 4.532 1.00 1.00 C ATOM 0 H LEU A 15 2.696 -15.941 1.628 1.00 1.00 H new ATOM 0 HA LEU A 15 0.495 -17.231 2.523 1.00 1.00 H new ATOM 0 HB2 LEU A 15 1.365 -14.398 3.292 1.00 1.00 H new ATOM 0 HB3 LEU A 15 0.354 -15.442 4.270 1.00 1.00 H new ATOM 0 HG LEU A 15 3.219 -16.073 3.409 1.00 1.00 H new ATOM 0 HD11 LEU A 15 3.720 -15.742 5.829 1.00 1.00 H new ATOM 0 HD12 LEU A 15 3.046 -14.260 5.109 1.00 1.00 H new ATOM 0 HD13 LEU A 15 2.019 -15.306 6.118 1.00 1.00 H new ATOM 0 HD21 LEU A 15 3.026 -18.000 4.961 1.00 1.00 H new ATOM 0 HD22 LEU A 15 1.322 -17.589 5.265 1.00 1.00 H new ATOM 0 HD23 LEU A 15 1.834 -18.116 3.644 1.00 1.00 H new ATOM 241 N GLN A 16 -0.465 -14.223 1.451 1.00 1.00 N ATOM 242 CA GLN A 16 -1.626 -13.516 0.927 1.00 1.00 C ATOM 243 C GLN A 16 -2.277 -14.325 -0.204 1.00 1.00 C ATOM 244 O GLN A 16 -3.462 -14.652 -0.142 1.00 1.00 O ATOM 245 CB GLN A 16 -1.179 -12.147 0.378 1.00 1.00 C ATOM 246 CG GLN A 16 -2.388 -11.224 0.167 1.00 1.00 C ATOM 247 CD GLN A 16 -3.236 -11.713 -1.006 1.00 1.00 C ATOM 248 OE1 GLN A 16 -4.194 -12.460 -0.808 1.00 1.00 O ATOM 249 NE2 GLN A 16 -2.939 -11.339 -2.221 1.00 1.00 N ATOM 0 H GLN A 16 0.367 -13.648 1.580 1.00 1.00 H new ATOM 0 HA GLN A 16 -2.351 -13.380 1.729 1.00 1.00 H new ATOM 0 HB2 GLN A 16 -0.478 -11.683 1.072 1.00 1.00 H new ATOM 0 HB3 GLN A 16 -0.651 -12.283 -0.566 1.00 1.00 H new ATOM 0 HG2 GLN A 16 -2.993 -11.194 1.073 1.00 1.00 H new ATOM 0 HG3 GLN A 16 -2.047 -10.206 -0.022 1.00 1.00 H new ATOM 0 HE21 GLN A 16 -2.145 -10.720 -2.384 1.00 1.00 H new ATOM 0 HE22 GLN A 16 -3.501 -11.666 -3.007 1.00 1.00 H new ATOM 258 N TYR A 17 -1.514 -14.666 -1.238 1.00 1.00 N ATOM 259 CA TYR A 17 -2.055 -15.440 -2.348 1.00 1.00 C ATOM 260 C TYR A 17 -2.744 -16.710 -1.841 1.00 1.00 C ATOM 261 O TYR A 17 -3.955 -16.868 -2.006 1.00 1.00 O ATOM 262 CB TYR A 17 -0.901 -15.823 -3.313 1.00 1.00 C ATOM 263 CG TYR A 17 -0.830 -14.842 -4.465 1.00 1.00 C ATOM 264 CD1 TYR A 17 -0.307 -13.559 -4.261 1.00 1.00 C ATOM 265 CD2 TYR A 17 -1.294 -15.215 -5.732 1.00 1.00 C ATOM 266 CE1 TYR A 17 -0.249 -12.653 -5.325 1.00 1.00 C ATOM 267 CE2 TYR A 17 -1.236 -14.312 -6.792 1.00 1.00 C ATOM 268 CZ TYR A 17 -0.714 -13.031 -6.590 1.00 1.00 C ATOM 269 OH TYR A 17 -0.655 -12.142 -7.640 1.00 1.00 O ATOM 0 H TYR A 17 -0.528 -14.421 -1.330 1.00 1.00 H new ATOM 0 HA TYR A 17 -2.794 -14.834 -2.872 1.00 1.00 H new ATOM 0 HB2 TYR A 17 0.046 -15.830 -2.773 1.00 1.00 H new ATOM 0 HB3 TYR A 17 -1.057 -16.832 -3.695 1.00 1.00 H new ATOM 0 HD1 TYR A 17 0.051 -13.270 -3.284 1.00 1.00 H new ATOM 0 HD2 TYR A 17 -1.698 -16.204 -5.888 1.00 1.00 H new ATOM 0 HE1 TYR A 17 0.154 -11.663 -5.171 1.00 1.00 H new ATOM 0 HE2 TYR A 17 -1.594 -14.602 -7.769 1.00 1.00 H new ATOM 0 HH TYR A 17 -1.017 -12.564 -8.447 1.00 1.00 H new ATOM 279 N ASP A 18 -1.969 -17.603 -1.235 1.00 1.00 N ATOM 280 CA ASP A 18 -2.523 -18.852 -0.722 1.00 1.00 C ATOM 281 C ASP A 18 -3.355 -18.593 0.530 1.00 1.00 C ATOM 282 O ASP A 18 -4.583 -18.672 0.502 1.00 1.00 O ATOM 283 CB ASP A 18 -1.387 -19.828 -0.394 1.00 1.00 C ATOM 284 CG ASP A 18 -0.694 -20.285 -1.676 1.00 1.00 C ATOM 285 OD1 ASP A 18 -1.264 -20.093 -2.737 1.00 1.00 O ATOM 286 OD2 ASP A 18 0.397 -20.823 -1.575 1.00 1.00 O ATOM 0 H ASP A 18 -0.966 -17.488 -1.088 1.00 1.00 H new ATOM 0 HA ASP A 18 -3.167 -19.287 -1.487 1.00 1.00 H new ATOM 0 HB2 ASP A 18 -0.665 -19.348 0.266 1.00 1.00 H new ATOM 0 HB3 ASP A 18 -1.783 -20.691 0.141 1.00 1.00 H new ATOM 291 N ALA A 19 -2.672 -18.276 1.625 1.00 1.00 N ATOM 292 CA ALA A 19 -3.339 -17.996 2.890 1.00 1.00 C ATOM 293 C ALA A 19 -4.123 -16.687 2.799 1.00 1.00 C ATOM 294 O ALA A 19 -3.555 -15.598 2.729 1.00 1.00 O ATOM 295 CB ALA A 19 -2.301 -17.890 4.015 1.00 1.00 C ATOM 0 H ALA A 19 -1.655 -18.207 1.661 1.00 1.00 H new ATOM 0 HA ALA A 19 -4.030 -18.811 3.106 1.00 1.00 H new ATOM 0 HB1 ALA A 19 -2.806 -17.681 4.958 1.00 1.00 H new ATOM 0 HB2 ALA A 19 -1.756 -18.830 4.097 1.00 1.00 H new ATOM 0 HB3 ALA A 19 -1.603 -17.084 3.791 1.00 1.00 H new ATOM 301 N GLY A 20 -5.448 -16.789 2.800 1.00 1.00 N ATOM 302 CA GLY A 20 -6.321 -15.624 2.714 1.00 1.00 C ATOM 303 C GLY A 20 -6.384 -14.890 4.043 1.00 1.00 C ATOM 304 O GLY A 20 -7.435 -14.820 4.681 1.00 1.00 O ATOM 0 H GLY A 20 -5.945 -17.678 2.860 1.00 1.00 H new ATOM 0 HA2 GLY A 20 -5.957 -14.949 1.939 1.00 1.00 H new ATOM 0 HA3 GLY A 20 -7.323 -15.937 2.420 1.00 1.00 H new ATOM 308 N ASN A 21 -5.253 -14.334 4.463 1.00 1.00 N ATOM 309 CA ASN A 21 -5.190 -13.601 5.733 1.00 1.00 C ATOM 310 C ASN A 21 -4.312 -12.367 5.593 1.00 1.00 C ATOM 311 O ASN A 21 -3.275 -12.244 6.243 1.00 1.00 O ATOM 312 CB ASN A 21 -4.628 -14.511 6.827 1.00 1.00 C ATOM 313 CG ASN A 21 -4.921 -13.920 8.201 1.00 1.00 C ATOM 314 OD1 ASN A 21 -5.339 -12.769 8.304 1.00 1.00 O ATOM 315 ND2 ASN A 21 -4.727 -14.647 9.263 1.00 1.00 N ATOM 0 H ASN A 21 -4.371 -14.373 3.951 1.00 1.00 H new ATOM 0 HA ASN A 21 -6.197 -13.285 6.004 1.00 1.00 H new ATOM 0 HB2 ASN A 21 -5.070 -15.504 6.748 1.00 1.00 H new ATOM 0 HB3 ASN A 21 -3.553 -14.630 6.695 1.00 1.00 H new ATOM 0 HD21 ASN A 21 -4.922 -14.262 10.187 1.00 1.00 H new ATOM 0 HD22 ASN A 21 -4.380 -15.602 9.171 1.00 1.00 H new ATOM 322 N TYR A 22 -4.754 -11.455 4.732 1.00 1.00 N ATOM 323 CA TYR A 22 -4.008 -10.207 4.504 1.00 1.00 C ATOM 324 C TYR A 22 -3.485 -9.652 5.836 1.00 1.00 C ATOM 325 O TYR A 22 -2.400 -9.070 5.885 1.00 1.00 O ATOM 326 CB TYR A 22 -4.925 -9.147 3.823 1.00 1.00 C ATOM 327 CG TYR A 22 -6.377 -9.572 3.943 1.00 1.00 C ATOM 328 CD1 TYR A 22 -7.014 -9.530 5.192 1.00 1.00 C ATOM 329 CD2 TYR A 22 -7.083 -10.010 2.815 1.00 1.00 C ATOM 330 CE1 TYR A 22 -8.352 -9.923 5.308 1.00 1.00 C ATOM 331 CE2 TYR A 22 -8.417 -10.403 2.933 1.00 1.00 C ATOM 332 CZ TYR A 22 -9.053 -10.359 4.179 1.00 1.00 C ATOM 333 OH TYR A 22 -10.373 -10.742 4.292 1.00 1.00 O ATOM 0 H TYR A 22 -5.610 -11.547 4.185 1.00 1.00 H new ATOM 0 HA TYR A 22 -3.164 -10.424 3.849 1.00 1.00 H new ATOM 0 HB2 TYR A 22 -4.781 -8.173 4.292 1.00 1.00 H new ATOM 0 HB3 TYR A 22 -4.654 -9.039 2.773 1.00 1.00 H new ATOM 0 HD1 TYR A 22 -6.472 -9.194 6.064 1.00 1.00 H new ATOM 0 HD2 TYR A 22 -6.594 -10.044 1.853 1.00 1.00 H new ATOM 0 HE1 TYR A 22 -8.843 -9.890 6.269 1.00 1.00 H new ATOM 0 HE2 TYR A 22 -8.959 -10.741 2.062 1.00 1.00 H new ATOM 0 HH TYR A 22 -10.710 -11.016 3.414 1.00 1.00 H new ATOM 343 N THR A 23 -4.262 -9.849 6.896 1.00 1.00 N ATOM 344 CA THR A 23 -3.865 -9.375 8.209 1.00 1.00 C ATOM 345 C THR A 23 -2.580 -10.064 8.646 1.00 1.00 C ATOM 346 O THR A 23 -1.656 -9.415 9.136 1.00 1.00 O ATOM 347 CB THR A 23 -4.978 -9.658 9.228 1.00 1.00 C ATOM 348 OG1 THR A 23 -6.224 -9.229 8.697 1.00 1.00 O ATOM 349 CG2 THR A 23 -4.693 -8.906 10.530 1.00 1.00 C ATOM 0 H THR A 23 -5.161 -10.329 6.869 1.00 1.00 H new ATOM 0 HA THR A 23 -3.693 -8.300 8.158 1.00 1.00 H new ATOM 0 HB THR A 23 -5.015 -10.728 9.432 1.00 1.00 H new ATOM 0 HG1 THR A 23 -6.936 -9.411 9.346 1.00 1.00 H new ATOM 0 HG21 THR A 23 -5.486 -9.110 11.249 1.00 1.00 H new ATOM 0 HG22 THR A 23 -3.738 -9.236 10.939 1.00 1.00 H new ATOM 0 HG23 THR A 23 -4.652 -7.835 10.330 1.00 1.00 H new ATOM 357 N GLU A 24 -2.507 -11.379 8.473 1.00 1.00 N ATOM 358 CA GLU A 24 -1.313 -12.126 8.868 1.00 1.00 C ATOM 359 C GLU A 24 -0.070 -11.567 8.182 1.00 1.00 C ATOM 360 O GLU A 24 0.964 -11.369 8.821 1.00 1.00 O ATOM 361 CB GLU A 24 -1.476 -13.604 8.494 1.00 1.00 C ATOM 362 CG GLU A 24 -0.291 -14.418 9.025 1.00 1.00 C ATOM 363 CD GLU A 24 -0.501 -15.901 8.724 1.00 1.00 C ATOM 364 OE1 GLU A 24 -1.406 -16.214 7.967 1.00 1.00 O ATOM 365 OE2 GLU A 24 0.246 -16.704 9.259 1.00 1.00 O ATOM 0 H GLU A 24 -3.250 -11.947 8.067 1.00 1.00 H new ATOM 0 HA GLU A 24 -1.192 -12.029 9.947 1.00 1.00 H new ATOM 0 HB2 GLU A 24 -2.407 -13.991 8.908 1.00 1.00 H new ATOM 0 HB3 GLU A 24 -1.542 -13.708 7.411 1.00 1.00 H new ATOM 0 HG2 GLU A 24 0.634 -14.072 8.564 1.00 1.00 H new ATOM 0 HG3 GLU A 24 -0.188 -14.267 10.100 1.00 1.00 H new ATOM 372 N SER A 25 -0.179 -11.318 6.881 1.00 1.00 N ATOM 373 CA SER A 25 0.954 -10.798 6.117 1.00 1.00 C ATOM 374 C SER A 25 1.560 -9.585 6.816 1.00 1.00 C ATOM 375 O SER A 25 2.726 -9.246 6.610 1.00 1.00 O ATOM 376 CB SER A 25 0.504 -10.397 4.709 1.00 1.00 C ATOM 377 OG SER A 25 -0.325 -9.247 4.780 1.00 1.00 O ATOM 0 H SER A 25 -1.029 -11.465 6.337 1.00 1.00 H new ATOM 0 HA SER A 25 1.706 -11.584 6.048 1.00 1.00 H new ATOM 0 HB2 SER A 25 1.373 -10.192 4.084 1.00 1.00 H new ATOM 0 HB3 SER A 25 -0.038 -11.219 4.242 1.00 1.00 H new ATOM 0 HG SER A 25 -0.995 -9.370 5.484 1.00 1.00 H new ATOM 383 N ILE A 26 0.771 -8.919 7.652 1.00 1.00 N ATOM 384 CA ILE A 26 1.257 -7.748 8.369 1.00 1.00 C ATOM 385 C ILE A 26 2.439 -8.121 9.267 1.00 1.00 C ATOM 386 O ILE A 26 3.427 -7.392 9.358 1.00 1.00 O ATOM 387 CB ILE A 26 0.116 -7.123 9.225 1.00 1.00 C ATOM 388 CG1 ILE A 26 0.380 -5.617 9.429 1.00 1.00 C ATOM 389 CG2 ILE A 26 0.010 -7.806 10.618 1.00 1.00 C ATOM 390 CD1 ILE A 26 -0.836 -4.948 10.077 1.00 1.00 C ATOM 0 H ILE A 26 -0.199 -9.167 7.848 1.00 1.00 H new ATOM 0 HA ILE A 26 1.591 -7.013 7.637 1.00 1.00 H new ATOM 0 HB ILE A 26 -0.821 -7.275 8.689 1.00 1.00 H new ATOM 0 HG12 ILE A 26 1.259 -5.477 10.058 1.00 1.00 H new ATOM 0 HG13 ILE A 26 0.595 -5.145 8.470 1.00 1.00 H new ATOM 0 HG21 ILE A 26 -0.796 -7.345 11.189 1.00 1.00 H new ATOM 0 HG22 ILE A 26 -0.199 -8.868 10.488 1.00 1.00 H new ATOM 0 HG23 ILE A 26 0.950 -7.684 11.155 1.00 1.00 H new ATOM 0 HD11 ILE A 26 -0.636 -3.885 10.215 1.00 1.00 H new ATOM 0 HD12 ILE A 26 -1.706 -5.073 9.433 1.00 1.00 H new ATOM 0 HD13 ILE A 26 -1.032 -5.409 11.045 1.00 1.00 H new ATOM 402 N ASP A 27 2.325 -9.265 9.936 1.00 1.00 N ATOM 403 CA ASP A 27 3.377 -9.694 10.832 1.00 1.00 C ATOM 404 C ASP A 27 4.684 -9.826 10.076 1.00 1.00 C ATOM 405 O ASP A 27 5.718 -9.332 10.527 1.00 1.00 O ATOM 406 CB ASP A 27 3.002 -11.037 11.461 1.00 1.00 C ATOM 407 CG ASP A 27 1.664 -10.929 12.191 1.00 1.00 C ATOM 408 OD1 ASP A 27 1.502 -9.996 12.961 1.00 1.00 O ATOM 409 OD2 ASP A 27 0.823 -11.786 11.973 1.00 1.00 O ATOM 0 H ASP A 27 1.527 -9.897 9.872 1.00 1.00 H new ATOM 0 HA ASP A 27 3.499 -8.950 11.619 1.00 1.00 H new ATOM 0 HB2 ASP A 27 2.941 -11.803 10.688 1.00 1.00 H new ATOM 0 HB3 ASP A 27 3.780 -11.349 12.158 1.00 1.00 H new ATOM 414 N LEU A 28 4.616 -10.493 8.929 1.00 1.00 N ATOM 415 CA LEU A 28 5.816 -10.677 8.120 1.00 1.00 C ATOM 416 C LEU A 28 6.282 -9.344 7.526 1.00 1.00 C ATOM 417 O LEU A 28 7.475 -9.042 7.519 1.00 1.00 O ATOM 418 CB LEU A 28 5.542 -11.702 6.998 1.00 1.00 C ATOM 419 CG LEU A 28 5.649 -13.155 7.521 1.00 1.00 C ATOM 420 CD1 LEU A 28 7.099 -13.501 7.940 1.00 1.00 C ATOM 421 CD2 LEU A 28 4.703 -13.348 8.712 1.00 1.00 C ATOM 0 H LEU A 28 3.766 -10.906 8.545 1.00 1.00 H new ATOM 0 HA LEU A 28 6.612 -11.057 8.760 1.00 1.00 H new ATOM 0 HB2 LEU A 28 4.547 -11.535 6.585 1.00 1.00 H new ATOM 0 HB3 LEU A 28 6.253 -11.553 6.186 1.00 1.00 H new ATOM 0 HG LEU A 28 5.364 -13.827 6.712 1.00 1.00 H new ATOM 0 HD11 LEU A 28 7.138 -14.528 8.302 1.00 1.00 H new ATOM 0 HD12 LEU A 28 7.761 -13.394 7.081 1.00 1.00 H new ATOM 0 HD13 LEU A 28 7.420 -12.825 8.732 1.00 1.00 H new ATOM 0 HD21 LEU A 28 4.782 -14.372 9.077 1.00 1.00 H new ATOM 0 HD22 LEU A 28 4.976 -12.657 9.509 1.00 1.00 H new ATOM 0 HD23 LEU A 28 3.678 -13.153 8.398 1.00 1.00 H new ATOM 433 N PHE A 29 5.330 -8.559 7.030 1.00 1.00 N ATOM 434 CA PHE A 29 5.672 -7.273 6.429 1.00 1.00 C ATOM 435 C PHE A 29 6.372 -6.377 7.450 1.00 1.00 C ATOM 436 O PHE A 29 7.424 -5.807 7.163 1.00 1.00 O ATOM 437 CB PHE A 29 4.402 -6.589 5.912 1.00 1.00 C ATOM 438 CG PHE A 29 4.758 -5.313 5.171 1.00 1.00 C ATOM 439 CD1 PHE A 29 5.434 -5.390 3.948 1.00 1.00 C ATOM 440 CD2 PHE A 29 4.402 -4.059 5.693 1.00 1.00 C ATOM 441 CE1 PHE A 29 5.755 -4.225 3.252 1.00 1.00 C ATOM 442 CE2 PHE A 29 4.723 -2.894 4.992 1.00 1.00 C ATOM 443 CZ PHE A 29 5.399 -2.977 3.773 1.00 1.00 C ATOM 0 H PHE A 29 4.335 -8.784 7.031 1.00 1.00 H new ATOM 0 HA PHE A 29 6.352 -7.444 5.594 1.00 1.00 H new ATOM 0 HB2 PHE A 29 3.861 -7.264 5.249 1.00 1.00 H new ATOM 0 HB3 PHE A 29 3.738 -6.361 6.746 1.00 1.00 H new ATOM 0 HD1 PHE A 29 5.707 -6.353 3.543 1.00 1.00 H new ATOM 0 HD2 PHE A 29 3.880 -3.995 6.636 1.00 1.00 H new ATOM 0 HE1 PHE A 29 6.279 -4.287 2.310 1.00 1.00 H new ATOM 0 HE2 PHE A 29 4.448 -1.929 5.393 1.00 1.00 H new ATOM 0 HZ PHE A 29 5.647 -2.076 3.232 1.00 1.00 H new ATOM 453 N GLU A 30 5.786 -6.266 8.638 1.00 1.00 N ATOM 454 CA GLU A 30 6.380 -5.439 9.687 1.00 1.00 C ATOM 455 C GLU A 30 7.835 -5.843 9.932 1.00 1.00 C ATOM 456 O GLU A 30 8.687 -4.984 10.161 1.00 1.00 O ATOM 457 CB GLU A 30 5.581 -5.585 10.992 1.00 1.00 C ATOM 458 CG GLU A 30 4.253 -4.827 10.886 1.00 1.00 C ATOM 459 CD GLU A 30 3.409 -5.077 12.134 1.00 1.00 C ATOM 460 OE1 GLU A 30 3.848 -5.835 12.985 1.00 1.00 O ATOM 461 OE2 GLU A 30 2.337 -4.503 12.223 1.00 1.00 O ATOM 0 H GLU A 30 4.915 -6.729 8.898 1.00 1.00 H new ATOM 0 HA GLU A 30 6.352 -4.400 9.359 1.00 1.00 H new ATOM 0 HB2 GLU A 30 5.391 -6.639 11.195 1.00 1.00 H new ATOM 0 HB3 GLU A 30 6.163 -5.199 11.829 1.00 1.00 H new ATOM 0 HG2 GLU A 30 4.442 -3.760 10.772 1.00 1.00 H new ATOM 0 HG3 GLU A 30 3.710 -5.151 9.998 1.00 1.00 H new ATOM 468 N LYS A 31 8.106 -7.143 9.880 1.00 1.00 N ATOM 469 CA LYS A 31 9.462 -7.629 10.100 1.00 1.00 C ATOM 470 C LYS A 31 10.380 -7.192 8.961 1.00 1.00 C ATOM 471 O LYS A 31 11.493 -6.725 9.200 1.00 1.00 O ATOM 472 CB LYS A 31 9.472 -9.161 10.223 1.00 1.00 C ATOM 473 CG LYS A 31 8.804 -9.588 11.540 1.00 1.00 C ATOM 474 CD LYS A 31 8.765 -11.121 11.636 1.00 1.00 C ATOM 475 CE LYS A 31 7.935 -11.551 12.851 1.00 1.00 C ATOM 476 NZ LYS A 31 8.621 -11.143 14.111 1.00 1.00 N ATOM 0 H LYS A 31 7.415 -7.869 9.690 1.00 1.00 H new ATOM 0 HA LYS A 31 9.830 -7.199 11.032 1.00 1.00 H new ATOM 0 HB2 LYS A 31 8.946 -9.605 9.378 1.00 1.00 H new ATOM 0 HB3 LYS A 31 10.497 -9.530 10.189 1.00 1.00 H new ATOM 0 HG2 LYS A 31 9.354 -9.176 12.386 1.00 1.00 H new ATOM 0 HG3 LYS A 31 7.792 -9.186 11.591 1.00 1.00 H new ATOM 0 HD2 LYS A 31 8.336 -11.539 10.726 1.00 1.00 H new ATOM 0 HD3 LYS A 31 9.778 -11.514 11.720 1.00 1.00 H new ATOM 0 HE2 LYS A 31 6.945 -11.098 12.804 1.00 1.00 H new ATOM 0 HE3 LYS A 31 7.792 -12.631 12.839 1.00 1.00 H new ATOM 0 HZ1 LYS A 31 8.123 -11.555 14.926 1.00 1.00 H new ATOM 0 HZ2 LYS A 31 9.604 -11.483 14.097 1.00 1.00 H new ATOM 0 HZ3 LYS A 31 8.615 -10.106 14.189 1.00 1.00 H new ATOM 490 N ALA A 32 9.906 -7.351 7.728 1.00 1.00 N ATOM 491 CA ALA A 32 10.713 -6.974 6.569 1.00 1.00 C ATOM 492 C ALA A 32 11.207 -5.532 6.699 1.00 1.00 C ATOM 493 O ALA A 32 12.400 -5.269 6.552 1.00 1.00 O ATOM 494 CB ALA A 32 9.880 -7.123 5.302 1.00 1.00 C ATOM 0 H ALA A 32 8.986 -7.731 7.507 1.00 1.00 H new ATOM 0 HA ALA A 32 11.581 -7.631 6.517 1.00 1.00 H new ATOM 0 HB1 ALA A 32 10.480 -6.842 4.437 1.00 1.00 H new ATOM 0 HB2 ALA A 32 9.557 -8.159 5.199 1.00 1.00 H new ATOM 0 HB3 ALA A 32 9.006 -6.475 5.363 1.00 1.00 H new ATOM 500 N ILE A 33 10.280 -4.621 6.978 1.00 1.00 N ATOM 501 CA ILE A 33 10.642 -3.218 7.150 1.00 1.00 C ATOM 502 C ILE A 33 11.552 -3.042 8.375 1.00 1.00 C ATOM 503 O ILE A 33 12.511 -2.270 8.354 1.00 1.00 O ATOM 504 CB ILE A 33 9.368 -2.357 7.286 1.00 1.00 C ATOM 505 CG1 ILE A 33 8.709 -2.212 5.904 1.00 1.00 C ATOM 506 CG2 ILE A 33 9.715 -0.969 7.853 1.00 1.00 C ATOM 507 CD1 ILE A 33 7.345 -1.537 6.045 1.00 1.00 C ATOM 0 H ILE A 33 9.287 -4.824 7.089 1.00 1.00 H new ATOM 0 HA ILE A 33 11.193 -2.887 6.270 1.00 1.00 H new ATOM 0 HB ILE A 33 8.676 -2.844 7.973 1.00 1.00 H new ATOM 0 HG12 ILE A 33 9.349 -1.624 5.246 1.00 1.00 H new ATOM 0 HG13 ILE A 33 8.593 -3.193 5.442 1.00 1.00 H new ATOM 0 HG21 ILE A 33 8.806 -0.375 7.942 1.00 1.00 H new ATOM 0 HG22 ILE A 33 10.173 -1.082 8.836 1.00 1.00 H new ATOM 0 HG23 ILE A 33 10.412 -0.466 7.183 1.00 1.00 H new ATOM 0 HD11 ILE A 33 6.885 -1.438 5.062 1.00 1.00 H new ATOM 0 HD12 ILE A 33 6.704 -2.142 6.686 1.00 1.00 H new ATOM 0 HD13 ILE A 33 7.472 -0.549 6.487 1.00 1.00 H new ATOM 519 N GLN A 34 11.239 -3.749 9.456 1.00 1.00 N ATOM 520 CA GLN A 34 12.019 -3.638 10.682 1.00 1.00 C ATOM 521 C GLN A 34 13.496 -3.891 10.401 1.00 1.00 C ATOM 522 O GLN A 34 14.366 -3.304 11.044 1.00 1.00 O ATOM 523 CB GLN A 34 11.492 -4.640 11.713 1.00 1.00 C ATOM 524 CG GLN A 34 12.243 -4.490 13.037 1.00 1.00 C ATOM 525 CD GLN A 34 11.600 -5.390 14.089 1.00 1.00 C ATOM 526 OE1 GLN A 34 10.472 -5.847 13.906 1.00 1.00 O ATOM 527 NE2 GLN A 34 12.250 -5.676 15.184 1.00 1.00 N ATOM 0 H GLN A 34 10.456 -4.401 9.508 1.00 1.00 H new ATOM 0 HA GLN A 34 11.918 -2.628 11.079 1.00 1.00 H new ATOM 0 HB2 GLN A 34 10.426 -4.480 11.873 1.00 1.00 H new ATOM 0 HB3 GLN A 34 11.609 -5.656 11.335 1.00 1.00 H new ATOM 0 HG2 GLN A 34 13.291 -4.757 12.905 1.00 1.00 H new ATOM 0 HG3 GLN A 34 12.218 -3.451 13.366 1.00 1.00 H new ATOM 0 HE21 GLN A 34 13.185 -5.297 15.336 1.00 1.00 H new ATOM 0 HE22 GLN A 34 11.823 -6.278 15.888 1.00 1.00 H new ATOM 536 N LEU A 35 13.755 -4.770 9.439 1.00 1.00 N ATOM 537 CA LEU A 35 15.138 -5.083 9.088 1.00 1.00 C ATOM 538 C LEU A 35 15.861 -3.846 8.583 1.00 1.00 C ATOM 539 O LEU A 35 16.961 -3.538 9.042 1.00 1.00 O ATOM 540 CB LEU A 35 15.165 -6.207 8.014 1.00 1.00 C ATOM 541 CG LEU A 35 15.336 -7.612 8.652 1.00 1.00 C ATOM 542 CD1 LEU A 35 14.469 -7.773 9.926 1.00 1.00 C ATOM 543 CD2 LEU A 35 14.955 -8.692 7.621 1.00 1.00 C ATOM 0 H LEU A 35 13.047 -5.268 8.900 1.00 1.00 H new ATOM 0 HA LEU A 35 15.656 -5.432 9.982 1.00 1.00 H new ATOM 0 HB2 LEU A 35 14.241 -6.180 7.437 1.00 1.00 H new ATOM 0 HB3 LEU A 35 15.982 -6.023 7.316 1.00 1.00 H new ATOM 0 HG LEU A 35 16.380 -7.726 8.945 1.00 1.00 H new ATOM 0 HD11 LEU A 35 14.616 -8.769 10.343 1.00 1.00 H new ATOM 0 HD12 LEU A 35 14.762 -7.025 10.662 1.00 1.00 H new ATOM 0 HD13 LEU A 35 13.418 -7.639 9.670 1.00 1.00 H new ATOM 0 HD21 LEU A 35 15.074 -9.679 8.067 1.00 1.00 H new ATOM 0 HD22 LEU A 35 13.917 -8.555 7.317 1.00 1.00 H new ATOM 0 HD23 LEU A 35 15.603 -8.607 6.749 1.00 1.00 H new ATOM 555 N ASP A 36 15.245 -3.133 7.645 1.00 1.00 N ATOM 556 CA ASP A 36 15.855 -1.939 7.099 1.00 1.00 C ATOM 557 C ASP A 36 14.863 -1.199 6.177 1.00 1.00 C ATOM 558 O ASP A 36 14.533 -1.726 5.115 1.00 1.00 O ATOM 559 CB ASP A 36 17.108 -2.323 6.304 1.00 1.00 C ATOM 560 CG ASP A 36 17.902 -1.072 5.948 1.00 1.00 C ATOM 561 OD1 ASP A 36 17.558 -0.436 4.967 1.00 1.00 O ATOM 562 OD2 ASP A 36 18.838 -0.765 6.669 1.00 1.00 O ATOM 0 H ASP A 36 14.332 -3.364 7.254 1.00 1.00 H new ATOM 0 HA ASP A 36 16.129 -1.277 7.920 1.00 1.00 H new ATOM 0 HB2 ASP A 36 17.727 -3.002 6.890 1.00 1.00 H new ATOM 0 HB3 ASP A 36 16.824 -2.854 5.396 1.00 1.00 H new ATOM 567 N PRO A 37 14.414 -0.030 6.546 1.00 1.00 N ATOM 568 CA PRO A 37 13.458 0.733 5.693 1.00 1.00 C ATOM 569 C PRO A 37 14.179 1.523 4.608 1.00 1.00 C ATOM 570 O PRO A 37 15.064 2.333 4.882 1.00 1.00 O ATOM 571 CB PRO A 37 12.763 1.657 6.697 1.00 1.00 C ATOM 572 CG PRO A 37 13.818 1.960 7.717 1.00 1.00 C ATOM 573 CD PRO A 37 14.728 0.716 7.785 1.00 1.00 C ATOM 0 HA PRO A 37 12.763 0.091 5.151 1.00 1.00 H new ATOM 0 HB2 PRO A 37 12.402 2.566 6.216 1.00 1.00 H new ATOM 0 HB3 PRO A 37 11.899 1.172 7.151 1.00 1.00 H new ATOM 0 HG2 PRO A 37 14.389 2.844 7.434 1.00 1.00 H new ATOM 0 HG3 PRO A 37 13.370 2.167 8.689 1.00 1.00 H new ATOM 0 HD2 PRO A 37 15.781 0.994 7.826 1.00 1.00 H new ATOM 0 HD3 PRO A 37 14.521 0.119 8.673 1.00 1.00 H new ATOM 581 N GLU A 38 13.800 1.286 3.356 1.00 1.00 N ATOM 582 CA GLU A 38 14.408 1.965 2.208 1.00 1.00 C ATOM 583 C GLU A 38 13.836 1.426 0.896 1.00 1.00 C ATOM 584 O GLU A 38 14.095 1.972 -0.177 1.00 1.00 O ATOM 585 CB GLU A 38 15.944 1.786 2.210 1.00 1.00 C ATOM 586 CG GLU A 38 16.322 0.304 2.407 1.00 1.00 C ATOM 587 CD GLU A 38 16.035 -0.495 1.138 1.00 1.00 C ATOM 588 OE1 GLU A 38 16.164 0.067 0.064 1.00 1.00 O ATOM 589 OE2 GLU A 38 15.697 -1.661 1.261 1.00 1.00 O ATOM 0 H GLU A 38 13.067 0.622 3.105 1.00 1.00 H new ATOM 0 HA GLU A 38 14.175 3.027 2.292 1.00 1.00 H new ATOM 0 HB2 GLU A 38 16.358 2.150 1.270 1.00 1.00 H new ATOM 0 HB3 GLU A 38 16.384 2.387 3.006 1.00 1.00 H new ATOM 0 HG2 GLU A 38 17.378 0.223 2.663 1.00 1.00 H new ATOM 0 HG3 GLU A 38 15.759 -0.113 3.242 1.00 1.00 H new ATOM 596 N GLU A 39 13.048 0.358 0.973 1.00 1.00 N ATOM 597 CA GLU A 39 12.443 -0.248 -0.211 1.00 1.00 C ATOM 598 C GLU A 39 11.018 0.264 -0.399 1.00 1.00 C ATOM 599 O GLU A 39 10.110 -0.084 0.357 1.00 1.00 O ATOM 600 CB GLU A 39 12.437 -1.776 -0.044 1.00 1.00 C ATOM 601 CG GLU A 39 12.016 -2.456 -1.352 1.00 1.00 C ATOM 602 CD GLU A 39 13.067 -2.225 -2.432 1.00 1.00 C ATOM 603 OE1 GLU A 39 14.197 -1.929 -2.077 1.00 1.00 O ATOM 604 OE2 GLU A 39 12.726 -2.341 -3.597 1.00 1.00 O ATOM 0 H GLU A 39 12.812 -0.109 1.848 1.00 1.00 H new ATOM 0 HA GLU A 39 13.024 0.022 -1.093 1.00 1.00 H new ATOM 0 HB2 GLU A 39 13.429 -2.120 0.249 1.00 1.00 H new ATOM 0 HB3 GLU A 39 11.753 -2.058 0.756 1.00 1.00 H new ATOM 0 HG2 GLU A 39 11.883 -3.525 -1.187 1.00 1.00 H new ATOM 0 HG3 GLU A 39 11.054 -2.062 -1.681 1.00 1.00 H new ATOM 611 N SER A 40 10.818 1.099 -1.413 1.00 1.00 N ATOM 612 CA SER A 40 9.500 1.652 -1.701 1.00 1.00 C ATOM 613 C SER A 40 8.538 0.565 -2.170 1.00 1.00 C ATOM 614 O SER A 40 7.399 0.481 -1.712 1.00 1.00 O ATOM 615 CB SER A 40 9.617 2.738 -2.769 1.00 1.00 C ATOM 616 OG SER A 40 8.337 3.301 -3.012 1.00 1.00 O ATOM 0 H SER A 40 11.553 1.408 -2.050 1.00 1.00 H new ATOM 0 HA SER A 40 9.103 2.084 -0.783 1.00 1.00 H new ATOM 0 HB2 SER A 40 10.311 3.512 -2.441 1.00 1.00 H new ATOM 0 HB3 SER A 40 10.022 2.316 -3.689 1.00 1.00 H new ATOM 0 HG SER A 40 8.411 3.999 -3.696 1.00 1.00 H new ATOM 622 N LYS A 41 9.000 -0.270 -3.096 1.00 1.00 N ATOM 623 CA LYS A 41 8.181 -1.352 -3.646 1.00 1.00 C ATOM 624 C LYS A 41 7.503 -2.123 -2.519 1.00 1.00 C ATOM 625 O LYS A 41 6.425 -2.695 -2.693 1.00 1.00 O ATOM 626 CB LYS A 41 9.065 -2.307 -4.470 1.00 1.00 C ATOM 627 CG LYS A 41 8.199 -3.343 -5.205 1.00 1.00 C ATOM 628 CD LYS A 41 9.088 -4.227 -6.095 1.00 1.00 C ATOM 629 CE LYS A 41 8.218 -5.228 -6.870 1.00 1.00 C ATOM 630 NZ LYS A 41 7.595 -6.196 -5.924 1.00 1.00 N ATOM 0 H LYS A 41 9.942 -0.220 -3.485 1.00 1.00 H new ATOM 0 HA LYS A 41 7.415 -0.922 -4.291 1.00 1.00 H new ATOM 0 HB2 LYS A 41 9.652 -1.738 -5.191 1.00 1.00 H new ATOM 0 HB3 LYS A 41 9.772 -2.815 -3.814 1.00 1.00 H new ATOM 0 HG2 LYS A 41 7.663 -3.960 -4.484 1.00 1.00 H new ATOM 0 HG3 LYS A 41 7.448 -2.838 -5.813 1.00 1.00 H new ATOM 0 HD2 LYS A 41 9.652 -3.607 -6.791 1.00 1.00 H new ATOM 0 HD3 LYS A 41 9.815 -4.761 -5.483 1.00 1.00 H new ATOM 0 HE2 LYS A 41 7.443 -4.698 -7.424 1.00 1.00 H new ATOM 0 HE3 LYS A 41 8.825 -5.761 -7.602 1.00 1.00 H new ATOM 0 HZ1 LYS A 41 7.208 -7.001 -6.456 1.00 1.00 H new ATOM 0 HZ2 LYS A 41 8.313 -6.537 -5.254 1.00 1.00 H new ATOM 0 HZ3 LYS A 41 6.829 -5.726 -5.401 1.00 1.00 H new ATOM 644 N TYR A 42 8.116 -2.148 -1.340 1.00 1.00 N ATOM 645 CA TYR A 42 7.561 -2.842 -0.182 1.00 1.00 C ATOM 646 C TYR A 42 6.434 -2.019 0.436 1.00 1.00 C ATOM 647 O TYR A 42 5.466 -2.575 0.956 1.00 1.00 O ATOM 648 CB TYR A 42 8.686 -3.093 0.854 1.00 1.00 C ATOM 649 CG TYR A 42 9.403 -4.405 0.564 1.00 1.00 C ATOM 650 CD1 TYR A 42 9.662 -4.794 -0.762 1.00 1.00 C ATOM 651 CD2 TYR A 42 9.799 -5.236 1.621 1.00 1.00 C ATOM 652 CE1 TYR A 42 10.314 -6.001 -1.022 1.00 1.00 C ATOM 653 CE2 TYR A 42 10.450 -6.445 1.354 1.00 1.00 C ATOM 654 CZ TYR A 42 10.707 -6.826 0.033 1.00 1.00 C ATOM 655 OH TYR A 42 11.349 -8.018 -0.227 1.00 1.00 O ATOM 0 H TYR A 42 9.009 -1.689 -1.160 1.00 1.00 H new ATOM 0 HA TYR A 42 7.148 -3.800 -0.497 1.00 1.00 H new ATOM 0 HB2 TYR A 42 9.400 -2.270 0.829 1.00 1.00 H new ATOM 0 HB3 TYR A 42 8.263 -3.118 1.858 1.00 1.00 H new ATOM 0 HD1 TYR A 42 9.356 -4.159 -1.580 1.00 1.00 H new ATOM 0 HD2 TYR A 42 9.602 -4.943 2.642 1.00 1.00 H new ATOM 0 HE1 TYR A 42 10.515 -6.297 -2.041 1.00 1.00 H new ATOM 0 HE2 TYR A 42 10.755 -7.085 2.169 1.00 1.00 H new ATOM 0 HH TYR A 42 11.750 -8.361 0.599 1.00 1.00 H new ATOM 665 N TRP A 43 6.564 -0.698 0.379 1.00 1.00 N ATOM 666 CA TRP A 43 5.551 0.184 0.947 1.00 1.00 C ATOM 667 C TRP A 43 4.306 0.183 0.068 1.00 1.00 C ATOM 668 O TRP A 43 3.183 0.272 0.566 1.00 1.00 O ATOM 669 CB TRP A 43 6.124 1.613 1.079 1.00 1.00 C ATOM 670 CG TRP A 43 6.774 1.802 2.419 1.00 1.00 C ATOM 671 CD1 TRP A 43 8.102 1.917 2.645 1.00 1.00 C ATOM 672 CD2 TRP A 43 6.126 1.895 3.717 1.00 1.00 C ATOM 673 NE1 TRP A 43 8.307 2.088 4.003 1.00 1.00 N ATOM 674 CE2 TRP A 43 7.119 2.076 4.706 1.00 1.00 C ATOM 675 CE3 TRP A 43 4.782 1.842 4.125 1.00 1.00 C ATOM 676 CZ2 TRP A 43 6.789 2.202 6.056 1.00 1.00 C ATOM 677 CZ3 TRP A 43 4.445 1.966 5.482 1.00 1.00 C ATOM 678 CH2 TRP A 43 5.447 2.146 6.445 1.00 1.00 C ATOM 0 H TRP A 43 7.354 -0.217 -0.051 1.00 1.00 H new ATOM 0 HA TRP A 43 5.272 -0.175 1.937 1.00 1.00 H new ATOM 0 HB2 TRP A 43 6.852 1.793 0.288 1.00 1.00 H new ATOM 0 HB3 TRP A 43 5.326 2.344 0.950 1.00 1.00 H new ATOM 0 HD1 TRP A 43 8.874 1.881 1.891 1.00 1.00 H new ATOM 0 HE1 TRP A 43 9.224 2.208 4.432 1.00 1.00 H new ATOM 0 HE3 TRP A 43 4.003 1.705 3.389 1.00 1.00 H new ATOM 0 HZ2 TRP A 43 7.564 2.342 6.795 1.00 1.00 H new ATOM 0 HZ3 TRP A 43 3.409 1.923 5.785 1.00 1.00 H new ATOM 0 HH2 TRP A 43 5.183 2.241 7.488 1.00 1.00 H new ATOM 689 N LEU A 44 4.524 0.084 -1.239 1.00 1.00 N ATOM 690 CA LEU A 44 3.410 0.083 -2.175 1.00 1.00 C ATOM 691 C LEU A 44 2.446 -1.054 -1.855 1.00 1.00 C ATOM 692 O LEU A 44 1.229 -0.888 -1.946 1.00 1.00 O ATOM 693 CB LEU A 44 3.943 -0.059 -3.614 1.00 1.00 C ATOM 694 CG LEU A 44 2.787 -0.237 -4.616 1.00 1.00 C ATOM 695 CD1 LEU A 44 1.789 0.926 -4.493 1.00 1.00 C ATOM 696 CD2 LEU A 44 3.355 -0.290 -6.041 1.00 1.00 C ATOM 0 H LEU A 44 5.446 0.005 -1.667 1.00 1.00 H new ATOM 0 HA LEU A 44 2.870 1.026 -2.084 1.00 1.00 H new ATOM 0 HB2 LEU A 44 4.526 0.823 -3.879 1.00 1.00 H new ATOM 0 HB3 LEU A 44 4.616 -0.915 -3.674 1.00 1.00 H new ATOM 0 HG LEU A 44 2.263 -1.167 -4.396 1.00 1.00 H new ATOM 0 HD11 LEU A 44 0.978 0.786 -5.207 1.00 1.00 H new ATOM 0 HD12 LEU A 44 1.382 0.951 -3.482 1.00 1.00 H new ATOM 0 HD13 LEU A 44 2.299 1.866 -4.702 1.00 1.00 H new ATOM 0 HD21 LEU A 44 2.540 -0.416 -6.753 1.00 1.00 H new ATOM 0 HD22 LEU A 44 3.885 0.638 -6.256 1.00 1.00 H new ATOM 0 HD23 LEU A 44 4.045 -1.130 -6.127 1.00 1.00 H new ATOM 708 N MET A 45 3.005 -2.201 -1.486 1.00 1.00 N ATOM 709 CA MET A 45 2.170 -3.349 -1.172 1.00 1.00 C ATOM 710 C MET A 45 1.302 -3.074 0.052 1.00 1.00 C ATOM 711 O MET A 45 0.142 -3.482 0.099 1.00 1.00 O ATOM 712 CB MET A 45 3.057 -4.577 -0.935 1.00 1.00 C ATOM 713 CG MET A 45 2.193 -5.813 -0.621 1.00 1.00 C ATOM 714 SD MET A 45 1.779 -5.834 1.144 1.00 1.00 S ATOM 715 CE MET A 45 0.691 -7.284 1.123 1.00 1.00 C ATOM 0 H MET A 45 4.009 -2.358 -1.399 1.00 1.00 H new ATOM 0 HA MET A 45 1.506 -3.541 -2.015 1.00 1.00 H new ATOM 0 HB2 MET A 45 3.668 -4.768 -1.817 1.00 1.00 H new ATOM 0 HB3 MET A 45 3.741 -4.385 -0.109 1.00 1.00 H new ATOM 0 HG2 MET A 45 1.281 -5.793 -1.218 1.00 1.00 H new ATOM 0 HG3 MET A 45 2.730 -6.723 -0.890 1.00 1.00 H new ATOM 0 HE1 MET A 45 0.320 -7.475 2.130 1.00 1.00 H new ATOM 0 HE2 MET A 45 -0.150 -7.098 0.455 1.00 1.00 H new ATOM 0 HE3 MET A 45 1.248 -8.152 0.771 1.00 1.00 H new ATOM 725 N LYS A 46 1.904 -2.382 1.014 1.00 1.00 N ATOM 726 CA LYS A 46 1.179 -2.069 2.241 1.00 1.00 C ATOM 727 C LYS A 46 -0.089 -1.277 1.930 1.00 1.00 C ATOM 728 O LYS A 46 -1.154 -1.558 2.479 1.00 1.00 O ATOM 729 CB LYS A 46 2.068 -1.256 3.184 1.00 1.00 C ATOM 730 CG LYS A 46 1.381 -1.049 4.551 1.00 1.00 C ATOM 731 CD LYS A 46 1.221 -2.401 5.296 1.00 1.00 C ATOM 732 CE LYS A 46 1.118 -2.170 6.809 1.00 1.00 C ATOM 733 NZ LYS A 46 -0.123 -1.408 7.118 1.00 1.00 N ATOM 0 H LYS A 46 2.863 -2.036 0.973 1.00 1.00 H new ATOM 0 HA LYS A 46 0.901 -3.007 2.722 1.00 1.00 H new ATOM 0 HB2 LYS A 46 3.019 -1.769 3.325 1.00 1.00 H new ATOM 0 HB3 LYS A 46 2.291 -0.288 2.735 1.00 1.00 H new ATOM 0 HG2 LYS A 46 1.969 -0.361 5.158 1.00 1.00 H new ATOM 0 HG3 LYS A 46 0.403 -0.590 4.406 1.00 1.00 H new ATOM 0 HD2 LYS A 46 0.329 -2.917 4.939 1.00 1.00 H new ATOM 0 HD3 LYS A 46 2.072 -3.047 5.078 1.00 1.00 H new ATOM 0 HE2 LYS A 46 1.109 -3.126 7.333 1.00 1.00 H new ATOM 0 HE3 LYS A 46 1.991 -1.621 7.163 1.00 1.00 H new ATOM 0 HZ1 LYS A 46 -0.576 -1.811 7.963 1.00 1.00 H new ATOM 0 HZ2 LYS A 46 0.117 -0.412 7.296 1.00 1.00 H new ATOM 0 HZ3 LYS A 46 -0.777 -1.468 6.312 1.00 1.00 H new ATOM 747 N GLY A 47 0.030 -0.285 1.052 1.00 1.00 N ATOM 748 CA GLY A 47 -1.119 0.537 0.694 1.00 1.00 C ATOM 749 C GLY A 47 -2.281 -0.326 0.211 1.00 1.00 C ATOM 750 O GLY A 47 -3.411 -0.166 0.672 1.00 1.00 O ATOM 0 H GLY A 47 0.899 -0.034 0.581 1.00 1.00 H new ATOM 0 HA2 GLY A 47 -1.432 1.125 1.557 1.00 1.00 H new ATOM 0 HA3 GLY A 47 -0.836 1.243 -0.087 1.00 1.00 H new ATOM 754 N LYS A 48 -1.992 -1.235 -0.715 1.00 1.00 N ATOM 755 CA LYS A 48 -3.028 -2.111 -1.253 1.00 1.00 C ATOM 756 C LYS A 48 -3.672 -2.925 -0.132 1.00 1.00 C ATOM 757 O LYS A 48 -4.868 -3.213 -0.170 1.00 1.00 O ATOM 758 CB LYS A 48 -2.438 -3.067 -2.296 1.00 1.00 C ATOM 759 CG LYS A 48 -1.658 -2.270 -3.352 1.00 1.00 C ATOM 760 CD LYS A 48 -1.323 -3.169 -4.562 1.00 1.00 C ATOM 761 CE LYS A 48 -0.181 -2.550 -5.396 1.00 1.00 C ATOM 762 NZ LYS A 48 -0.278 -3.020 -6.806 1.00 1.00 N ATOM 0 H LYS A 48 -1.061 -1.384 -1.105 1.00 1.00 H new ATOM 0 HA LYS A 48 -3.785 -1.486 -1.727 1.00 1.00 H new ATOM 0 HB2 LYS A 48 -1.779 -3.787 -1.811 1.00 1.00 H new ATOM 0 HB3 LYS A 48 -3.236 -3.636 -2.773 1.00 1.00 H new ATOM 0 HG2 LYS A 48 -2.247 -1.413 -3.679 1.00 1.00 H new ATOM 0 HG3 LYS A 48 -0.739 -1.878 -2.916 1.00 1.00 H new ATOM 0 HD2 LYS A 48 -1.032 -4.161 -4.216 1.00 1.00 H new ATOM 0 HD3 LYS A 48 -2.209 -3.296 -5.185 1.00 1.00 H new ATOM 0 HE2 LYS A 48 -0.240 -1.462 -5.360 1.00 1.00 H new ATOM 0 HE3 LYS A 48 0.784 -2.831 -4.974 1.00 1.00 H new ATOM 0 HZ1 LYS A 48 0.492 -2.601 -7.365 1.00 1.00 H new ATOM 0 HZ2 LYS A 48 -0.201 -4.057 -6.832 1.00 1.00 H new ATOM 0 HZ3 LYS A 48 -1.193 -2.730 -7.206 1.00 1.00 H new ATOM 776 N ALA A 49 -2.877 -3.295 0.866 1.00 1.00 N ATOM 777 CA ALA A 49 -3.395 -4.078 1.985 1.00 1.00 C ATOM 778 C ALA A 49 -4.354 -3.247 2.830 1.00 1.00 C ATOM 779 O ALA A 49 -5.466 -3.680 3.131 1.00 1.00 O ATOM 780 CB ALA A 49 -2.236 -4.568 2.861 1.00 1.00 C ATOM 0 H ALA A 49 -1.884 -3.070 0.925 1.00 1.00 H new ATOM 0 HA ALA A 49 -3.936 -4.934 1.581 1.00 1.00 H new ATOM 0 HB1 ALA A 49 -2.630 -5.151 3.693 1.00 1.00 H new ATOM 0 HB2 ALA A 49 -1.568 -5.191 2.266 1.00 1.00 H new ATOM 0 HB3 ALA A 49 -1.684 -3.711 3.248 1.00 1.00 H new ATOM 786 N LEU A 50 -3.899 -2.055 3.201 1.00 1.00 N ATOM 787 CA LEU A 50 -4.724 -1.177 4.018 1.00 1.00 C ATOM 788 C LEU A 50 -5.990 -0.771 3.266 1.00 1.00 C ATOM 789 O LEU A 50 -7.091 -0.822 3.816 1.00 1.00 O ATOM 790 CB LEU A 50 -3.915 0.068 4.377 1.00 1.00 C ATOM 791 CG LEU A 50 -2.755 -0.293 5.330 1.00 1.00 C ATOM 792 CD1 LEU A 50 -1.746 0.859 5.338 1.00 1.00 C ATOM 793 CD2 LEU A 50 -3.265 -0.521 6.770 1.00 1.00 C ATOM 0 H LEU A 50 -2.982 -1.681 2.955 1.00 1.00 H new ATOM 0 HA LEU A 50 -5.020 -1.706 4.924 1.00 1.00 H new ATOM 0 HB2 LEU A 50 -3.519 0.525 3.470 1.00 1.00 H new ATOM 0 HB3 LEU A 50 -4.564 0.806 4.848 1.00 1.00 H new ATOM 0 HG LEU A 50 -2.291 -1.214 4.978 1.00 1.00 H new ATOM 0 HD11 LEU A 50 -0.921 0.616 6.008 1.00 1.00 H new ATOM 0 HD12 LEU A 50 -1.361 1.013 4.330 1.00 1.00 H new ATOM 0 HD13 LEU A 50 -2.236 1.770 5.682 1.00 1.00 H new ATOM 0 HD21 LEU A 50 -2.425 -0.774 7.418 1.00 1.00 H new ATOM 0 HD22 LEU A 50 -3.744 0.388 7.135 1.00 1.00 H new ATOM 0 HD23 LEU A 50 -3.986 -1.338 6.775 1.00 1.00 H new ATOM 805 N TYR A 51 -5.823 -0.375 2.009 1.00 1.00 N ATOM 806 CA TYR A 51 -6.966 0.040 1.210 1.00 1.00 C ATOM 807 C TYR A 51 -7.990 -1.094 1.122 1.00 1.00 C ATOM 808 O TYR A 51 -9.177 -0.895 1.384 1.00 1.00 O ATOM 809 CB TYR A 51 -6.485 0.433 -0.207 1.00 1.00 C ATOM 810 CG TYR A 51 -7.616 0.285 -1.218 1.00 1.00 C ATOM 811 CD1 TYR A 51 -8.871 0.836 -0.940 1.00 1.00 C ATOM 812 CD2 TYR A 51 -7.413 -0.423 -2.411 1.00 1.00 C ATOM 813 CE1 TYR A 51 -9.920 0.689 -1.856 1.00 1.00 C ATOM 814 CE2 TYR A 51 -8.461 -0.574 -3.322 1.00 1.00 C ATOM 815 CZ TYR A 51 -9.714 -0.016 -3.047 1.00 1.00 C ATOM 816 OH TYR A 51 -10.746 -0.163 -3.950 1.00 1.00 O ATOM 0 H TYR A 51 -4.924 -0.333 1.530 1.00 1.00 H new ATOM 0 HA TYR A 51 -7.442 0.900 1.682 1.00 1.00 H new ATOM 0 HB2 TYR A 51 -6.126 1.462 -0.203 1.00 1.00 H new ATOM 0 HB3 TYR A 51 -5.644 -0.196 -0.499 1.00 1.00 H new ATOM 0 HD1 TYR A 51 -9.031 1.375 -0.018 1.00 1.00 H new ATOM 0 HD2 TYR A 51 -6.445 -0.852 -2.626 1.00 1.00 H new ATOM 0 HE1 TYR A 51 -10.887 1.119 -1.643 1.00 1.00 H new ATOM 0 HE2 TYR A 51 -8.304 -1.122 -4.239 1.00 1.00 H new ATOM 0 HH TYR A 51 -11.414 0.538 -3.800 1.00 1.00 H new ATOM 826 N ASN A 52 -7.535 -2.287 0.755 1.00 1.00 N ATOM 827 CA ASN A 52 -8.427 -3.427 0.631 1.00 1.00 C ATOM 828 C ASN A 52 -9.066 -3.754 1.972 1.00 1.00 C ATOM 829 O ASN A 52 -10.169 -4.297 2.021 1.00 1.00 O ATOM 830 CB ASN A 52 -7.651 -4.637 0.106 1.00 1.00 C ATOM 831 CG ASN A 52 -8.573 -5.848 0.009 1.00 1.00 C ATOM 832 OD1 ASN A 52 -8.387 -6.830 0.725 1.00 1.00 O ATOM 833 ND2 ASN A 52 -9.567 -5.832 -0.838 1.00 1.00 N ATOM 0 H ASN A 52 -6.558 -2.486 0.540 1.00 1.00 H new ATOM 0 HA ASN A 52 -9.220 -3.177 -0.074 1.00 1.00 H new ATOM 0 HB2 ASN A 52 -7.229 -4.412 -0.874 1.00 1.00 H new ATOM 0 HB3 ASN A 52 -6.815 -4.859 0.769 1.00 1.00 H new ATOM 0 HD21 ASN A 52 -10.191 -6.636 -0.907 1.00 1.00 H new ATOM 0 HD22 ASN A 52 -9.719 -5.016 -1.431 1.00 1.00 H new ATOM 840 N LEU A 53 -8.360 -3.424 3.049 1.00 1.00 N ATOM 841 CA LEU A 53 -8.850 -3.684 4.400 1.00 1.00 C ATOM 842 C LEU A 53 -9.905 -2.664 4.797 1.00 1.00 C ATOM 843 O LEU A 53 -10.307 -2.591 5.959 1.00 1.00 O ATOM 844 CB LEU A 53 -7.678 -3.667 5.399 1.00 1.00 C ATOM 845 CG LEU A 53 -6.892 -5.000 5.322 1.00 1.00 C ATOM 846 CD1 LEU A 53 -5.509 -4.833 5.973 1.00 1.00 C ATOM 847 CD2 LEU A 53 -7.675 -6.130 6.040 1.00 1.00 C ATOM 0 H LEU A 53 -7.445 -2.975 3.013 1.00 1.00 H new ATOM 0 HA LEU A 53 -9.312 -4.671 4.418 1.00 1.00 H new ATOM 0 HB2 LEU A 53 -7.014 -2.831 5.178 1.00 1.00 H new ATOM 0 HB3 LEU A 53 -8.055 -3.516 6.411 1.00 1.00 H new ATOM 0 HG LEU A 53 -6.766 -5.269 4.273 1.00 1.00 H new ATOM 0 HD11 LEU A 53 -4.963 -5.775 5.915 1.00 1.00 H new ATOM 0 HD12 LEU A 53 -4.951 -4.057 5.448 1.00 1.00 H new ATOM 0 HD13 LEU A 53 -5.631 -4.549 7.018 1.00 1.00 H new ATOM 0 HD21 LEU A 53 -7.110 -7.060 5.978 1.00 1.00 H new ATOM 0 HD22 LEU A 53 -7.821 -5.863 7.087 1.00 1.00 H new ATOM 0 HD23 LEU A 53 -8.645 -6.262 5.561 1.00 1.00 H new ATOM 859 N GLU A 54 -10.373 -1.879 3.833 1.00 1.00 N ATOM 860 CA GLU A 54 -11.396 -0.867 4.061 1.00 1.00 C ATOM 861 C GLU A 54 -10.792 0.349 4.759 1.00 1.00 C ATOM 862 O GLU A 54 -11.514 1.234 5.218 1.00 1.00 O ATOM 863 CB GLU A 54 -12.538 -1.461 4.937 1.00 1.00 C ATOM 864 CG GLU A 54 -13.905 -0.913 4.494 1.00 1.00 C ATOM 865 CD GLU A 54 -14.359 -1.601 3.208 1.00 1.00 C ATOM 866 OE1 GLU A 54 -13.649 -2.480 2.742 1.00 1.00 O ATOM 867 OE2 GLU A 54 -15.410 -1.241 2.708 1.00 1.00 O ATOM 0 H GLU A 54 -10.051 -1.928 2.866 1.00 1.00 H new ATOM 0 HA GLU A 54 -11.802 -0.555 3.099 1.00 1.00 H new ATOM 0 HB2 GLU A 54 -12.534 -2.548 4.860 1.00 1.00 H new ATOM 0 HB3 GLU A 54 -12.364 -1.215 5.985 1.00 1.00 H new ATOM 0 HG2 GLU A 54 -14.642 -1.075 5.281 1.00 1.00 H new ATOM 0 HG3 GLU A 54 -13.839 0.163 4.335 1.00 1.00 H new ATOM 874 N ARG A 55 -9.466 0.397 4.842 1.00 1.00 N ATOM 875 CA ARG A 55 -8.761 1.499 5.490 1.00 1.00 C ATOM 876 C ARG A 55 -8.287 2.504 4.451 1.00 1.00 C ATOM 877 O ARG A 55 -7.090 2.658 4.210 1.00 1.00 O ATOM 878 CB ARG A 55 -7.561 0.955 6.270 1.00 1.00 C ATOM 879 CG ARG A 55 -7.980 -0.246 7.131 1.00 1.00 C ATOM 880 CD ARG A 55 -9.013 0.190 8.185 1.00 1.00 C ATOM 881 NE ARG A 55 -10.344 0.259 7.586 1.00 1.00 N ATOM 882 CZ ARG A 55 -11.314 0.978 8.143 1.00 1.00 C ATOM 883 NH1 ARG A 55 -11.080 1.641 9.242 1.00 1.00 N ATOM 884 NH2 ARG A 55 -12.493 1.025 7.589 1.00 1.00 N ATOM 0 H ARG A 55 -8.851 -0.324 4.464 1.00 1.00 H new ATOM 0 HA ARG A 55 -9.443 1.999 6.177 1.00 1.00 H new ATOM 0 HB2 ARG A 55 -6.774 0.657 5.577 1.00 1.00 H new ATOM 0 HB3 ARG A 55 -7.147 1.738 6.905 1.00 1.00 H new ATOM 0 HG2 ARG A 55 -8.403 -1.027 6.498 1.00 1.00 H new ATOM 0 HG3 ARG A 55 -7.106 -0.673 7.623 1.00 1.00 H new ATOM 0 HD2 ARG A 55 -9.016 -0.515 9.016 1.00 1.00 H new ATOM 0 HD3 ARG A 55 -8.739 1.163 8.593 1.00 1.00 H new ATOM 0 HE ARG A 55 -10.533 -0.254 6.725 1.00 1.00 H new ATOM 0 HH11 ARG A 55 -10.155 1.607 9.671 1.00 1.00 H new ATOM 0 HH12 ARG A 55 -11.822 2.194 9.672 1.00 1.00 H new ATOM 0 HH21 ARG A 55 -12.672 0.510 6.727 1.00 1.00 H new ATOM 0 HH22 ARG A 55 -13.236 1.577 8.017 1.00 1.00 H new ATOM 898 N TYR A 56 -9.243 3.192 3.835 1.00 1.00 N ATOM 899 CA TYR A 56 -8.925 4.180 2.813 1.00 1.00 C ATOM 900 C TYR A 56 -8.059 5.287 3.410 1.00 1.00 C ATOM 901 O TYR A 56 -7.105 5.753 2.785 1.00 1.00 O ATOM 902 CB TYR A 56 -10.227 4.785 2.248 1.00 1.00 C ATOM 903 CG TYR A 56 -11.295 3.715 2.184 1.00 1.00 C ATOM 904 CD1 TYR A 56 -11.389 2.880 1.067 1.00 1.00 C ATOM 905 CD2 TYR A 56 -12.187 3.557 3.252 1.00 1.00 C ATOM 906 CE1 TYR A 56 -12.375 1.890 1.017 1.00 1.00 C ATOM 907 CE2 TYR A 56 -13.173 2.571 3.202 1.00 1.00 C ATOM 908 CZ TYR A 56 -13.267 1.736 2.082 1.00 1.00 C ATOM 909 OH TYR A 56 -14.239 0.761 2.028 1.00 1.00 O ATOM 0 H TYR A 56 -10.239 3.084 4.025 1.00 1.00 H new ATOM 0 HA TYR A 56 -8.376 3.693 2.007 1.00 1.00 H new ATOM 0 HB2 TYR A 56 -10.561 5.609 2.878 1.00 1.00 H new ATOM 0 HB3 TYR A 56 -10.048 5.195 1.254 1.00 1.00 H new ATOM 0 HD1 TYR A 56 -10.701 2.999 0.243 1.00 1.00 H new ATOM 0 HD2 TYR A 56 -12.112 4.200 4.116 1.00 1.00 H new ATOM 0 HE1 TYR A 56 -12.447 1.244 0.155 1.00 1.00 H new ATOM 0 HE2 TYR A 56 -13.862 2.452 4.025 1.00 1.00 H new ATOM 0 HH TYR A 56 -14.947 0.968 2.674 1.00 1.00 H new ATOM 919 N GLU A 57 -8.402 5.700 4.625 1.00 1.00 N ATOM 920 CA GLU A 57 -7.652 6.760 5.288 1.00 1.00 C ATOM 921 C GLU A 57 -6.235 6.296 5.615 1.00 1.00 C ATOM 922 O GLU A 57 -5.259 6.978 5.303 1.00 1.00 O ATOM 923 CB GLU A 57 -8.378 7.169 6.574 1.00 1.00 C ATOM 924 CG GLU A 57 -7.693 8.388 7.195 1.00 1.00 C ATOM 925 CD GLU A 57 -8.465 8.847 8.430 1.00 1.00 C ATOM 926 OE1 GLU A 57 -9.308 8.095 8.893 1.00 1.00 O ATOM 927 OE2 GLU A 57 -8.202 9.944 8.895 1.00 1.00 O ATOM 0 H GLU A 57 -9.182 5.324 5.164 1.00 1.00 H new ATOM 0 HA GLU A 57 -7.585 7.616 4.617 1.00 1.00 H new ATOM 0 HB2 GLU A 57 -9.421 7.399 6.355 1.00 1.00 H new ATOM 0 HB3 GLU A 57 -8.376 6.340 7.282 1.00 1.00 H new ATOM 0 HG2 GLU A 57 -6.668 8.139 7.468 1.00 1.00 H new ATOM 0 HG3 GLU A 57 -7.641 9.197 6.466 1.00 1.00 H new ATOM 934 N GLU A 58 -6.145 5.132 6.249 1.00 1.00 N ATOM 935 CA GLU A 58 -4.837 4.597 6.616 1.00 1.00 C ATOM 936 C GLU A 58 -4.000 4.320 5.368 1.00 1.00 C ATOM 937 O GLU A 58 -2.808 4.627 5.331 1.00 1.00 O ATOM 938 CB GLU A 58 -5.009 3.304 7.452 1.00 1.00 C ATOM 939 CG GLU A 58 -3.955 3.211 8.562 1.00 1.00 C ATOM 940 CD GLU A 58 -2.567 3.034 7.960 1.00 1.00 C ATOM 941 OE1 GLU A 58 -2.018 4.014 7.490 1.00 1.00 O ATOM 942 OE2 GLU A 58 -2.071 1.921 7.990 1.00 1.00 O ATOM 0 H GLU A 58 -6.941 4.552 6.515 1.00 1.00 H new ATOM 0 HA GLU A 58 -4.313 5.338 7.219 1.00 1.00 H new ATOM 0 HB2 GLU A 58 -6.006 3.283 7.892 1.00 1.00 H new ATOM 0 HB3 GLU A 58 -4.931 2.434 6.800 1.00 1.00 H new ATOM 0 HG2 GLU A 58 -3.981 4.113 9.174 1.00 1.00 H new ATOM 0 HG3 GLU A 58 -4.183 2.372 9.220 1.00 1.00 H new ATOM 949 N ALA A 59 -4.628 3.738 4.350 1.00 1.00 N ATOM 950 CA ALA A 59 -3.921 3.425 3.121 1.00 1.00 C ATOM 951 C ALA A 59 -3.283 4.677 2.540 1.00 1.00 C ATOM 952 O ALA A 59 -2.150 4.636 2.059 1.00 1.00 O ATOM 953 CB ALA A 59 -4.891 2.803 2.115 1.00 1.00 C ATOM 0 H ALA A 59 -5.614 3.478 4.355 1.00 1.00 H new ATOM 0 HA ALA A 59 -3.128 2.710 3.340 1.00 1.00 H new ATOM 0 HB1 ALA A 59 -4.359 2.569 1.193 1.00 1.00 H new ATOM 0 HB2 ALA A 59 -5.312 1.889 2.533 1.00 1.00 H new ATOM 0 HB3 ALA A 59 -5.695 3.508 1.901 1.00 1.00 H new ATOM 959 N VAL A 60 -4.011 5.788 2.590 1.00 1.00 N ATOM 960 CA VAL A 60 -3.494 7.047 2.075 1.00 1.00 C ATOM 961 C VAL A 60 -2.219 7.433 2.826 1.00 1.00 C ATOM 962 O VAL A 60 -1.276 7.954 2.230 1.00 1.00 O ATOM 963 CB VAL A 60 -4.567 8.149 2.208 1.00 1.00 C ATOM 964 CG1 VAL A 60 -3.945 9.543 1.992 1.00 1.00 C ATOM 965 CG2 VAL A 60 -5.670 7.921 1.155 1.00 1.00 C ATOM 0 H VAL A 60 -4.953 5.841 2.979 1.00 1.00 H new ATOM 0 HA VAL A 60 -3.248 6.932 1.019 1.00 1.00 H new ATOM 0 HB VAL A 60 -4.990 8.102 3.212 1.00 1.00 H new ATOM 0 HG11 VAL A 60 -4.718 10.305 2.090 1.00 1.00 H new ATOM 0 HG12 VAL A 60 -3.169 9.715 2.738 1.00 1.00 H new ATOM 0 HG13 VAL A 60 -3.508 9.596 0.995 1.00 1.00 H new ATOM 0 HG21 VAL A 60 -6.428 8.699 1.248 1.00 1.00 H new ATOM 0 HG22 VAL A 60 -5.233 7.958 0.157 1.00 1.00 H new ATOM 0 HG23 VAL A 60 -6.129 6.945 1.315 1.00 1.00 H new ATOM 975 N ASP A 61 -2.173 7.189 4.131 1.00 1.00 N ATOM 976 CA ASP A 61 -1.005 7.533 4.931 1.00 1.00 C ATOM 977 C ASP A 61 0.252 6.900 4.340 1.00 1.00 C ATOM 978 O ASP A 61 1.329 7.491 4.399 1.00 1.00 O ATOM 979 CB ASP A 61 -1.197 7.061 6.376 1.00 1.00 C ATOM 980 CG ASP A 61 -2.530 7.568 6.926 1.00 1.00 C ATOM 981 OD1 ASP A 61 -3.144 8.396 6.273 1.00 1.00 O ATOM 982 OD2 ASP A 61 -2.917 7.119 7.993 1.00 1.00 O ATOM 0 H ASP A 61 -2.931 6.754 4.657 1.00 1.00 H new ATOM 0 HA ASP A 61 -0.888 8.617 4.923 1.00 1.00 H new ATOM 0 HB2 ASP A 61 -1.169 5.972 6.417 1.00 1.00 H new ATOM 0 HB3 ASP A 61 -0.378 7.424 6.997 1.00 1.00 H new ATOM 987 N CYS A 62 0.102 5.707 3.775 1.00 1.00 N ATOM 988 CA CYS A 62 1.241 5.017 3.167 1.00 1.00 C ATOM 989 C CYS A 62 1.655 5.701 1.865 1.00 1.00 C ATOM 990 O CYS A 62 2.840 5.926 1.622 1.00 1.00 O ATOM 991 CB CYS A 62 0.891 3.551 2.895 1.00 1.00 C ATOM 992 SG CYS A 62 0.765 2.667 4.467 1.00 1.00 S ATOM 0 H CYS A 62 -0.782 5.201 3.724 1.00 1.00 H new ATOM 0 HA CYS A 62 2.077 5.060 3.865 1.00 1.00 H new ATOM 0 HB2 CYS A 62 -0.051 3.485 2.351 1.00 1.00 H new ATOM 0 HB3 CYS A 62 1.655 3.093 2.267 1.00 1.00 H new ATOM 0 HG CYS A 62 1.633 1.700 4.492 1.00 1.00 H new ATOM 998 N TYR A 63 0.668 6.029 1.038 1.00 1.00 N ATOM 999 CA TYR A 63 0.955 6.687 -0.230 1.00 1.00 C ATOM 1000 C TYR A 63 1.712 7.994 0.015 1.00 1.00 C ATOM 1001 O TYR A 63 2.710 8.275 -0.650 1.00 1.00 O ATOM 1002 CB TYR A 63 -0.368 6.960 -0.986 1.00 1.00 C ATOM 1003 CG TYR A 63 -0.198 8.097 -1.986 1.00 1.00 C ATOM 1004 CD1 TYR A 63 -0.307 9.426 -1.550 1.00 1.00 C ATOM 1005 CD2 TYR A 63 0.083 7.824 -3.326 1.00 1.00 C ATOM 1006 CE1 TYR A 63 -0.142 10.479 -2.456 1.00 1.00 C ATOM 1007 CE2 TYR A 63 0.251 8.878 -4.235 1.00 1.00 C ATOM 1008 CZ TYR A 63 0.136 10.206 -3.800 1.00 1.00 C ATOM 1009 OH TYR A 63 0.307 11.241 -4.693 1.00 1.00 O ATOM 0 H TYR A 63 -0.321 5.854 1.218 1.00 1.00 H new ATOM 0 HA TYR A 63 1.581 6.036 -0.840 1.00 1.00 H new ATOM 0 HB2 TYR A 63 -0.687 6.057 -1.507 1.00 1.00 H new ATOM 0 HB3 TYR A 63 -1.154 7.211 -0.273 1.00 1.00 H new ATOM 0 HD1 TYR A 63 -0.519 9.637 -0.512 1.00 1.00 H new ATOM 0 HD2 TYR A 63 0.171 6.801 -3.662 1.00 1.00 H new ATOM 0 HE1 TYR A 63 -0.229 11.501 -2.119 1.00 1.00 H new ATOM 0 HE2 TYR A 63 0.469 8.667 -5.271 1.00 1.00 H new ATOM 0 HH TYR A 63 -0.066 10.987 -5.563 1.00 1.00 H new ATOM 1019 N ASN A 64 1.228 8.791 0.961 1.00 1.00 N ATOM 1020 CA ASN A 64 1.867 10.060 1.261 1.00 1.00 C ATOM 1021 C ASN A 64 3.246 9.829 1.861 1.00 1.00 C ATOM 1022 O ASN A 64 4.166 10.612 1.620 1.00 1.00 O ATOM 1023 CB ASN A 64 0.991 10.873 2.219 1.00 1.00 C ATOM 1024 CG ASN A 64 1.695 12.172 2.596 1.00 1.00 C ATOM 1025 OD1 ASN A 64 2.161 12.321 3.724 1.00 1.00 O ATOM 1026 ND2 ASN A 64 1.803 13.126 1.711 1.00 1.00 N ATOM 0 H ASN A 64 0.405 8.582 1.526 1.00 1.00 H new ATOM 0 HA ASN A 64 1.987 10.623 0.336 1.00 1.00 H new ATOM 0 HB2 ASN A 64 0.032 11.093 1.750 1.00 1.00 H new ATOM 0 HB3 ASN A 64 0.781 10.290 3.116 1.00 1.00 H new ATOM 0 HD21 ASN A 64 2.275 13.997 1.955 1.00 1.00 H new ATOM 0 HD22 ASN A 64 1.416 13.000 0.776 1.00 1.00 H new ATOM 1033 N TYR A 65 3.358 8.756 2.637 1.00 1.00 N ATOM 1034 CA TYR A 65 4.630 8.438 3.271 1.00 1.00 C ATOM 1035 C TYR A 65 5.711 8.203 2.212 1.00 1.00 C ATOM 1036 O TYR A 65 6.800 8.771 2.285 1.00 1.00 O ATOM 1037 CB TYR A 65 4.475 7.191 4.150 1.00 1.00 C ATOM 1038 CG TYR A 65 5.812 6.810 4.742 1.00 1.00 C ATOM 1039 CD1 TYR A 65 6.667 5.948 4.040 1.00 1.00 C ATOM 1040 CD2 TYR A 65 6.196 7.315 5.988 1.00 1.00 C ATOM 1041 CE1 TYR A 65 7.903 5.592 4.587 1.00 1.00 C ATOM 1042 CE2 TYR A 65 7.432 6.958 6.535 1.00 1.00 C ATOM 1043 CZ TYR A 65 8.284 6.094 5.834 1.00 1.00 C ATOM 1044 OH TYR A 65 9.506 5.747 6.370 1.00 1.00 O ATOM 0 H TYR A 65 2.600 8.104 2.839 1.00 1.00 H new ATOM 0 HA TYR A 65 4.932 9.280 3.894 1.00 1.00 H new ATOM 0 HB2 TYR A 65 3.756 7.384 4.947 1.00 1.00 H new ATOM 0 HB3 TYR A 65 4.081 6.365 3.558 1.00 1.00 H new ATOM 0 HD1 TYR A 65 6.370 5.559 3.077 1.00 1.00 H new ATOM 0 HD2 TYR A 65 5.538 7.980 6.527 1.00 1.00 H new ATOM 0 HE1 TYR A 65 8.563 4.930 4.046 1.00 1.00 H new ATOM 0 HE2 TYR A 65 7.730 7.348 7.497 1.00 1.00 H new ATOM 0 HH TYR A 65 9.616 6.182 7.241 1.00 1.00 H new ATOM 1054 N VAL A 66 5.392 7.360 1.236 1.00 1.00 N ATOM 1055 CA VAL A 66 6.329 7.047 0.160 1.00 1.00 C ATOM 1056 C VAL A 66 6.711 8.317 -0.600 1.00 1.00 C ATOM 1057 O VAL A 66 7.817 8.428 -1.130 1.00 1.00 O ATOM 1058 CB VAL A 66 5.717 6.022 -0.803 1.00 1.00 C ATOM 1059 CG1 VAL A 66 6.662 5.778 -1.991 1.00 1.00 C ATOM 1060 CG2 VAL A 66 5.500 4.708 -0.057 1.00 1.00 C ATOM 0 H VAL A 66 4.494 6.881 1.167 1.00 1.00 H new ATOM 0 HA VAL A 66 7.228 6.618 0.602 1.00 1.00 H new ATOM 0 HB VAL A 66 4.768 6.405 -1.178 1.00 1.00 H new ATOM 0 HG11 VAL A 66 6.216 5.049 -2.667 1.00 1.00 H new ATOM 0 HG12 VAL A 66 6.825 6.714 -2.524 1.00 1.00 H new ATOM 0 HG13 VAL A 66 7.616 5.398 -1.625 1.00 1.00 H new ATOM 0 HG21 VAL A 66 5.065 3.973 -0.734 1.00 1.00 H new ATOM 0 HG22 VAL A 66 6.456 4.338 0.314 1.00 1.00 H new ATOM 0 HG23 VAL A 66 4.824 4.873 0.782 1.00 1.00 H new ATOM 1070 N ILE A 67 5.793 9.276 -0.663 1.00 1.00 N ATOM 1071 CA ILE A 67 6.035 10.543 -1.362 1.00 1.00 C ATOM 1072 C ILE A 67 6.647 11.561 -0.408 1.00 1.00 C ATOM 1073 O ILE A 67 7.321 12.498 -0.837 1.00 1.00 O ATOM 1074 CB ILE A 67 4.715 11.059 -1.980 1.00 1.00 C ATOM 1075 CG1 ILE A 67 4.436 10.299 -3.309 1.00 1.00 C ATOM 1076 CG2 ILE A 67 4.796 12.575 -2.263 1.00 1.00 C ATOM 1077 CD1 ILE A 67 2.946 10.269 -3.573 1.00 1.00 C ATOM 0 H ILE A 67 4.869 9.203 -0.238 1.00 1.00 H new ATOM 0 HA ILE A 67 6.746 10.384 -2.172 1.00 1.00 H new ATOM 0 HB ILE A 67 3.906 10.882 -1.271 1.00 1.00 H new ATOM 0 HG12 ILE A 67 4.952 10.788 -4.135 1.00 1.00 H new ATOM 0 HG13 ILE A 67 4.825 9.283 -3.247 1.00 1.00 H new ATOM 0 HG21 ILE A 67 3.856 12.915 -2.697 1.00 1.00 H new ATOM 0 HG22 ILE A 67 4.979 13.110 -1.331 1.00 1.00 H new ATOM 0 HG23 ILE A 67 5.610 12.772 -2.961 1.00 1.00 H new ATOM 0 HD11 ILE A 67 2.752 9.736 -4.504 1.00 1.00 H new ATOM 0 HD12 ILE A 67 2.441 9.760 -2.752 1.00 1.00 H new ATOM 0 HD13 ILE A 67 2.570 11.289 -3.653 1.00 1.00 H new ATOM 1089 N ASN A 68 6.415 11.387 0.888 1.00 1.00 N ATOM 1090 CA ASN A 68 6.940 12.310 1.881 1.00 1.00 C ATOM 1091 C ASN A 68 8.398 12.004 2.187 1.00 1.00 C ATOM 1092 O ASN A 68 9.276 12.818 1.899 1.00 1.00 O ATOM 1093 CB ASN A 68 6.105 12.206 3.159 1.00 1.00 C ATOM 1094 CG ASN A 68 6.574 13.236 4.174 1.00 1.00 C ATOM 1095 OD1 ASN A 68 7.617 13.861 3.987 1.00 1.00 O ATOM 1096 ND2 ASN A 68 5.864 13.448 5.247 1.00 1.00 N ATOM 0 H ASN A 68 5.868 10.617 1.273 1.00 1.00 H new ATOM 0 HA ASN A 68 6.882 13.324 1.485 1.00 1.00 H new ATOM 0 HB2 ASN A 68 5.052 12.365 2.928 1.00 1.00 H new ATOM 0 HB3 ASN A 68 6.192 11.204 3.579 1.00 1.00 H new ATOM 0 HD21 ASN A 68 6.173 14.134 5.935 1.00 1.00 H new ATOM 0 HD22 ASN A 68 5.000 12.927 5.398 1.00 1.00 H new ATOM 1103 N VAL A 69 8.625 10.833 2.771 1.00 1.00 N ATOM 1104 CA VAL A 69 9.981 10.430 3.118 1.00 1.00 C ATOM 1105 C VAL A 69 10.851 10.366 1.872 1.00 1.00 C ATOM 1106 O VAL A 69 11.973 10.872 1.866 1.00 1.00 O ATOM 1107 CB VAL A 69 9.963 9.057 3.810 1.00 1.00 C ATOM 1108 CG1 VAL A 69 11.405 8.591 4.085 1.00 1.00 C ATOM 1109 CG2 VAL A 69 9.167 9.149 5.139 1.00 1.00 C ATOM 0 H VAL A 69 7.900 10.156 3.011 1.00 1.00 H new ATOM 0 HA VAL A 69 10.398 11.170 3.801 1.00 1.00 H new ATOM 0 HB VAL A 69 9.477 8.332 3.157 1.00 1.00 H new ATOM 0 HG11 VAL A 69 11.386 7.618 4.575 1.00 1.00 H new ATOM 0 HG12 VAL A 69 11.948 8.512 3.143 1.00 1.00 H new ATOM 0 HG13 VAL A 69 11.904 9.313 4.732 1.00 1.00 H new ATOM 0 HG21 VAL A 69 9.157 8.174 5.625 1.00 1.00 H new ATOM 0 HG22 VAL A 69 9.640 9.878 5.797 1.00 1.00 H new ATOM 0 HG23 VAL A 69 8.144 9.460 4.929 1.00 1.00 H new ATOM 1119 N ILE A 70 10.343 9.746 0.812 1.00 1.00 N ATOM 1120 CA ILE A 70 11.084 9.611 -0.445 1.00 1.00 C ATOM 1121 C ILE A 70 10.478 10.530 -1.499 1.00 1.00 C ATOM 1122 O ILE A 70 9.268 10.552 -1.725 1.00 1.00 O ATOM 1123 CB ILE A 70 11.033 8.155 -0.940 1.00 1.00 C ATOM 1124 CG1 ILE A 70 11.510 7.211 0.176 1.00 1.00 C ATOM 1125 CG2 ILE A 70 11.954 7.994 -2.156 1.00 1.00 C ATOM 1126 CD1 ILE A 70 11.288 5.750 -0.245 1.00 1.00 C ATOM 0 H ILE A 70 9.414 9.325 0.795 1.00 1.00 H new ATOM 0 HA ILE A 70 12.124 9.890 -0.272 1.00 1.00 H new ATOM 0 HB ILE A 70 10.008 7.908 -1.217 1.00 1.00 H new ATOM 0 HG12 ILE A 70 12.566 7.383 0.383 1.00 1.00 H new ATOM 0 HG13 ILE A 70 10.967 7.420 1.098 1.00 1.00 H new ATOM 0 HG21 ILE A 70 11.917 6.962 -2.506 1.00 1.00 H new ATOM 0 HG22 ILE A 70 11.624 8.660 -2.953 1.00 1.00 H new ATOM 0 HG23 ILE A 70 12.976 8.245 -1.874 1.00 1.00 H new ATOM 0 HD11 ILE A 70 11.628 5.087 0.550 1.00 1.00 H new ATOM 0 HD12 ILE A 70 10.227 5.582 -0.429 1.00 1.00 H new ATOM 0 HD13 ILE A 70 11.851 5.544 -1.155 1.00 1.00 H new ATOM 1138 N GLU A 71 11.323 11.312 -2.162 1.00 1.00 N ATOM 1139 CA GLU A 71 10.877 12.237 -3.197 1.00 1.00 C ATOM 1140 C GLU A 71 10.577 11.488 -4.489 1.00 1.00 C ATOM 1141 O GLU A 71 10.609 12.060 -5.579 1.00 1.00 O ATOM 1142 CB GLU A 71 11.961 13.290 -3.459 1.00 1.00 C ATOM 1143 CG GLU A 71 12.170 14.176 -2.208 1.00 1.00 C ATOM 1144 CD GLU A 71 13.076 13.475 -1.194 1.00 1.00 C ATOM 1145 OE1 GLU A 71 13.439 12.336 -1.433 1.00 1.00 O ATOM 1146 OE2 GLU A 71 13.404 14.097 -0.197 1.00 1.00 O ATOM 0 H GLU A 71 12.330 11.323 -1.999 1.00 1.00 H new ATOM 0 HA GLU A 71 9.967 12.728 -2.852 1.00 1.00 H new ATOM 0 HB2 GLU A 71 12.897 12.799 -3.724 1.00 1.00 H new ATOM 0 HB3 GLU A 71 11.675 13.911 -4.308 1.00 1.00 H new ATOM 0 HG2 GLU A 71 12.612 15.128 -2.501 1.00 1.00 H new ATOM 0 HG3 GLU A 71 11.207 14.399 -1.749 1.00 1.00 H new ATOM 1153 N ASP A 72 10.281 10.197 -4.385 1.00 1.00 N ATOM 1154 CA ASP A 72 9.979 9.377 -5.553 1.00 1.00 C ATOM 1155 C ASP A 72 8.562 9.659 -6.043 1.00 1.00 C ATOM 1156 O ASP A 72 7.801 8.737 -6.337 1.00 1.00 O ATOM 1157 CB ASP A 72 10.122 7.892 -5.195 1.00 1.00 C ATOM 1158 CG ASP A 72 9.928 7.017 -6.427 1.00 1.00 C ATOM 1159 OD1 ASP A 72 9.551 7.548 -7.457 1.00 1.00 O ATOM 1160 OD2 ASP A 72 10.178 5.828 -6.323 1.00 1.00 O ATOM 0 H ASP A 72 10.244 9.693 -3.499 1.00 1.00 H new ATOM 0 HA ASP A 72 10.681 9.624 -6.349 1.00 1.00 H new ATOM 0 HB2 ASP A 72 11.107 7.710 -4.766 1.00 1.00 H new ATOM 0 HB3 ASP A 72 9.389 7.624 -4.434 1.00 1.00 H new ATOM 1165 N GLU A 73 8.206 10.936 -6.139 1.00 1.00 N ATOM 1166 CA GLU A 73 6.880 11.341 -6.597 1.00 1.00 C ATOM 1167 C GLU A 73 6.784 11.221 -8.112 1.00 1.00 C ATOM 1168 O GLU A 73 6.861 12.213 -8.837 1.00 1.00 O ATOM 1169 CB GLU A 73 6.607 12.789 -6.171 1.00 1.00 C ATOM 1170 CG GLU A 73 5.168 13.179 -6.530 1.00 1.00 C ATOM 1171 CD GLU A 73 4.858 14.576 -5.998 1.00 1.00 C ATOM 1172 OE1 GLU A 73 5.788 15.258 -5.596 1.00 1.00 O ATOM 1173 OE2 GLU A 73 3.695 14.942 -5.999 1.00 1.00 O ATOM 0 H GLU A 73 8.822 11.714 -5.904 1.00 1.00 H new ATOM 0 HA GLU A 73 6.135 10.685 -6.147 1.00 1.00 H new ATOM 0 HB2 GLU A 73 6.765 12.897 -5.098 1.00 1.00 H new ATOM 0 HB3 GLU A 73 7.309 13.461 -6.666 1.00 1.00 H new ATOM 0 HG2 GLU A 73 5.035 13.155 -7.612 1.00 1.00 H new ATOM 0 HG3 GLU A 73 4.470 12.456 -6.107 1.00 1.00 H new ATOM 1180 N TYR A 74 6.611 9.991 -8.586 1.00 1.00 N ATOM 1181 CA TYR A 74 6.504 9.739 -10.016 1.00 1.00 C ATOM 1182 C TYR A 74 6.022 8.314 -10.281 1.00 1.00 C ATOM 1183 O TYR A 74 5.471 8.026 -11.343 1.00 1.00 O ATOM 1184 CB TYR A 74 7.864 9.938 -10.681 1.00 1.00 C ATOM 1185 CG TYR A 74 7.710 9.785 -12.177 1.00 1.00 C ATOM 1186 CD1 TYR A 74 7.267 10.868 -12.945 1.00 1.00 C ATOM 1187 CD2 TYR A 74 8.007 8.564 -12.796 1.00 1.00 C ATOM 1188 CE1 TYR A 74 7.120 10.732 -14.329 1.00 1.00 C ATOM 1189 CE2 TYR A 74 7.861 8.428 -14.180 1.00 1.00 C ATOM 1190 CZ TYR A 74 7.418 9.512 -14.948 1.00 1.00 C ATOM 1191 OH TYR A 74 7.274 9.377 -16.315 1.00 1.00 O ATOM 0 H TYR A 74 6.542 9.157 -8.002 1.00 1.00 H new ATOM 0 HA TYR A 74 5.781 10.441 -10.432 1.00 1.00 H new ATOM 0 HB2 TYR A 74 8.258 10.926 -10.443 1.00 1.00 H new ATOM 0 HB3 TYR A 74 8.579 9.209 -10.300 1.00 1.00 H new ATOM 0 HD1 TYR A 74 7.038 11.810 -12.468 1.00 1.00 H new ATOM 0 HD2 TYR A 74 8.349 7.728 -12.204 1.00 1.00 H new ATOM 0 HE1 TYR A 74 6.777 11.568 -14.920 1.00 1.00 H new ATOM 0 HE2 TYR A 74 8.090 7.486 -14.657 1.00 1.00 H new ATOM 0 HH TYR A 74 7.922 8.722 -16.649 1.00 1.00 H new ATOM 1201 N ASN A 75 6.227 7.429 -9.310 1.00 1.00 N ATOM 1202 CA ASN A 75 5.815 6.037 -9.446 1.00 1.00 C ATOM 1203 C ASN A 75 4.362 5.956 -9.922 1.00 1.00 C ATOM 1204 O ASN A 75 3.416 6.240 -9.188 1.00 1.00 O ATOM 1205 CB ASN A 75 5.985 5.320 -8.095 1.00 1.00 C ATOM 1206 CG ASN A 75 7.457 5.034 -7.814 1.00 1.00 C ATOM 1207 OD1 ASN A 75 7.906 5.170 -6.676 1.00 1.00 O ATOM 1208 ND2 ASN A 75 8.235 4.633 -8.781 1.00 1.00 N ATOM 0 H ASN A 75 6.676 7.651 -8.421 1.00 1.00 H new ATOM 0 HA ASN A 75 6.442 5.546 -10.190 1.00 1.00 H new ATOM 0 HB2 ASN A 75 5.571 5.936 -7.297 1.00 1.00 H new ATOM 0 HB3 ASN A 75 5.423 4.386 -8.101 1.00 1.00 H new ATOM 0 HD21 ASN A 75 9.217 4.431 -8.595 1.00 1.00 H new ATOM 0 HD22 ASN A 75 7.861 4.521 -9.723 1.00 1.00 H new ATOM 1215 N LYS A 76 4.181 5.561 -11.178 1.00 1.00 N ATOM 1216 CA LYS A 76 2.846 5.449 -11.761 1.00 1.00 C ATOM 1217 C LYS A 76 2.000 4.448 -10.979 1.00 1.00 C ATOM 1218 O LYS A 76 0.826 4.693 -10.705 1.00 1.00 O ATOM 1219 CB LYS A 76 2.973 4.990 -13.218 1.00 1.00 C ATOM 1220 CG LYS A 76 3.647 6.091 -14.047 1.00 1.00 C ATOM 1221 CD LYS A 76 3.898 5.584 -15.470 1.00 1.00 C ATOM 1222 CE LYS A 76 4.516 6.702 -16.316 1.00 1.00 C ATOM 1223 NZ LYS A 76 5.792 7.154 -15.692 1.00 1.00 N ATOM 0 H LYS A 76 4.940 5.313 -11.812 1.00 1.00 H new ATOM 0 HA LYS A 76 2.356 6.422 -11.718 1.00 1.00 H new ATOM 0 HB2 LYS A 76 3.557 4.071 -13.271 1.00 1.00 H new ATOM 0 HB3 LYS A 76 1.988 4.765 -13.626 1.00 1.00 H new ATOM 0 HG2 LYS A 76 3.015 6.979 -14.073 1.00 1.00 H new ATOM 0 HG3 LYS A 76 4.589 6.384 -13.583 1.00 1.00 H new ATOM 0 HD2 LYS A 76 4.565 4.722 -15.447 1.00 1.00 H new ATOM 0 HD3 LYS A 76 2.962 5.251 -15.918 1.00 1.00 H new ATOM 0 HE2 LYS A 76 4.701 6.345 -17.329 1.00 1.00 H new ATOM 0 HE3 LYS A 76 3.822 7.538 -16.395 1.00 1.00 H new ATOM 0 HZ1 LYS A 76 6.269 7.827 -16.326 1.00 1.00 H new ATOM 0 HZ2 LYS A 76 5.589 7.618 -14.784 1.00 1.00 H new ATOM 0 HZ3 LYS A 76 6.409 6.333 -15.530 1.00 1.00 H new ATOM 1237 N ASP A 77 2.609 3.321 -10.623 1.00 1.00 N ATOM 1238 CA ASP A 77 1.901 2.289 -9.874 1.00 1.00 C ATOM 1239 C ASP A 77 1.393 2.847 -8.544 1.00 1.00 C ATOM 1240 O ASP A 77 0.277 2.539 -8.126 1.00 1.00 O ATOM 1241 CB ASP A 77 2.840 1.106 -9.604 1.00 1.00 C ATOM 1242 CG ASP A 77 3.128 0.353 -10.900 1.00 1.00 C ATOM 1243 OD1 ASP A 77 2.496 0.662 -11.897 1.00 1.00 O ATOM 1244 OD2 ASP A 77 3.977 -0.522 -10.875 1.00 1.00 O ATOM 0 H ASP A 77 3.581 3.100 -10.838 1.00 1.00 H new ATOM 0 HA ASP A 77 1.050 1.954 -10.466 1.00 1.00 H new ATOM 0 HB2 ASP A 77 3.773 1.465 -9.169 1.00 1.00 H new ATOM 0 HB3 ASP A 77 2.387 0.432 -8.877 1.00 1.00 H new ATOM 1249 N VAL A 78 2.213 3.663 -7.888 1.00 1.00 N ATOM 1250 CA VAL A 78 1.821 4.246 -6.607 1.00 1.00 C ATOM 1251 C VAL A 78 0.606 5.161 -6.783 1.00 1.00 C ATOM 1252 O VAL A 78 -0.380 5.035 -6.058 1.00 1.00 O ATOM 1253 CB VAL A 78 3.000 5.039 -6.005 1.00 1.00 C ATOM 1254 CG1 VAL A 78 2.535 5.860 -4.789 1.00 1.00 C ATOM 1255 CG2 VAL A 78 4.116 4.070 -5.569 1.00 1.00 C ATOM 0 H VAL A 78 3.140 3.933 -8.216 1.00 1.00 H new ATOM 0 HA VAL A 78 1.551 3.439 -5.926 1.00 1.00 H new ATOM 0 HB VAL A 78 3.381 5.719 -6.767 1.00 1.00 H new ATOM 0 HG11 VAL A 78 3.380 6.412 -4.378 1.00 1.00 H new ATOM 0 HG12 VAL A 78 1.759 6.561 -5.098 1.00 1.00 H new ATOM 0 HG13 VAL A 78 2.136 5.189 -4.028 1.00 1.00 H new ATOM 0 HG21 VAL A 78 4.945 4.637 -5.145 1.00 1.00 H new ATOM 0 HG22 VAL A 78 3.727 3.381 -4.820 1.00 1.00 H new ATOM 0 HG23 VAL A 78 4.467 3.506 -6.433 1.00 1.00 H new ATOM 1265 N TRP A 79 0.677 6.078 -7.742 1.00 1.00 N ATOM 1266 CA TRP A 79 -0.424 6.999 -7.993 1.00 1.00 C ATOM 1267 C TRP A 79 -1.702 6.223 -8.301 1.00 1.00 C ATOM 1268 O TRP A 79 -2.777 6.558 -7.803 1.00 1.00 O ATOM 1269 CB TRP A 79 -0.067 7.938 -9.171 1.00 1.00 C ATOM 1270 CG TRP A 79 0.732 9.113 -8.684 1.00 1.00 C ATOM 1271 CD1 TRP A 79 2.075 9.244 -8.773 1.00 1.00 C ATOM 1272 CD2 TRP A 79 0.244 10.323 -8.040 1.00 1.00 C ATOM 1273 NE1 TRP A 79 2.442 10.460 -8.223 1.00 1.00 N ATOM 1274 CE2 TRP A 79 1.346 11.162 -7.757 1.00 1.00 C ATOM 1275 CE3 TRP A 79 -1.039 10.768 -7.677 1.00 1.00 C ATOM 1276 CZ2 TRP A 79 1.182 12.401 -7.137 1.00 1.00 C ATOM 1277 CZ3 TRP A 79 -1.209 12.014 -7.053 1.00 1.00 C ATOM 1278 CH2 TRP A 79 -0.100 12.829 -6.784 1.00 1.00 C ATOM 0 H TRP A 79 1.482 6.203 -8.356 1.00 1.00 H new ATOM 0 HA TRP A 79 -0.592 7.602 -7.101 1.00 1.00 H new ATOM 0 HB2 TRP A 79 0.502 7.389 -9.921 1.00 1.00 H new ATOM 0 HB3 TRP A 79 -0.979 8.287 -9.655 1.00 1.00 H new ATOM 0 HD1 TRP A 79 2.750 8.519 -9.203 1.00 1.00 H new ATOM 0 HE1 TRP A 79 3.403 10.797 -8.168 1.00 1.00 H new ATOM 0 HE3 TRP A 79 -1.899 10.147 -7.879 1.00 1.00 H new ATOM 0 HZ2 TRP A 79 2.040 13.024 -6.932 1.00 1.00 H new ATOM 0 HZ3 TRP A 79 -2.199 12.347 -6.779 1.00 1.00 H new ATOM 0 HH2 TRP A 79 -0.237 13.787 -6.304 1.00 1.00 H new ATOM 1289 N ALA A 80 -1.593 5.181 -9.120 1.00 1.00 N ATOM 1290 CA ALA A 80 -2.753 4.379 -9.476 1.00 1.00 C ATOM 1291 C ALA A 80 -3.368 3.738 -8.236 1.00 1.00 C ATOM 1292 O ALA A 80 -4.590 3.685 -8.099 1.00 1.00 O ATOM 1293 CB ALA A 80 -2.335 3.288 -10.464 1.00 1.00 C ATOM 0 H ALA A 80 -0.718 4.876 -9.546 1.00 1.00 H new ATOM 0 HA ALA A 80 -3.498 5.028 -9.936 1.00 1.00 H new ATOM 0 HB1 ALA A 80 -3.204 2.687 -10.731 1.00 1.00 H new ATOM 0 HB2 ALA A 80 -1.923 3.749 -11.362 1.00 1.00 H new ATOM 0 HB3 ALA A 80 -1.580 2.650 -10.004 1.00 1.00 H new ATOM 1299 N ALA A 81 -2.511 3.256 -7.341 1.00 1.00 N ATOM 1300 CA ALA A 81 -2.984 2.620 -6.117 1.00 1.00 C ATOM 1301 C ALA A 81 -3.851 3.579 -5.311 1.00 1.00 C ATOM 1302 O ALA A 81 -4.923 3.208 -4.833 1.00 1.00 O ATOM 1303 CB ALA A 81 -1.795 2.179 -5.262 1.00 1.00 C ATOM 0 H ALA A 81 -1.496 3.293 -7.438 1.00 1.00 H new ATOM 0 HA ALA A 81 -3.580 1.751 -6.395 1.00 1.00 H new ATOM 0 HB1 ALA A 81 -2.158 1.705 -4.350 1.00 1.00 H new ATOM 0 HB2 ALA A 81 -1.187 1.469 -5.823 1.00 1.00 H new ATOM 0 HB3 ALA A 81 -1.191 3.048 -5.003 1.00 1.00 H new ATOM 1309 N LYS A 82 -3.385 4.816 -5.166 1.00 1.00 N ATOM 1310 CA LYS A 82 -4.127 5.817 -4.411 1.00 1.00 C ATOM 1311 C LYS A 82 -5.522 6.003 -5.011 1.00 1.00 C ATOM 1312 O LYS A 82 -6.514 6.053 -4.284 1.00 1.00 O ATOM 1313 CB LYS A 82 -3.364 7.155 -4.434 1.00 1.00 C ATOM 1314 CG LYS A 82 -3.867 8.079 -3.309 1.00 1.00 C ATOM 1315 CD LYS A 82 -3.364 9.505 -3.545 1.00 1.00 C ATOM 1316 CE LYS A 82 -3.792 10.429 -2.396 1.00 1.00 C ATOM 1317 NZ LYS A 82 -2.897 10.215 -1.227 1.00 1.00 N ATOM 0 H LYS A 82 -2.503 5.146 -5.559 1.00 1.00 H new ATOM 0 HA LYS A 82 -4.230 5.479 -3.380 1.00 1.00 H new ATOM 0 HB2 LYS A 82 -2.296 6.974 -4.314 1.00 1.00 H new ATOM 0 HB3 LYS A 82 -3.499 7.641 -5.400 1.00 1.00 H new ATOM 0 HG2 LYS A 82 -4.956 8.069 -3.277 1.00 1.00 H new ATOM 0 HG3 LYS A 82 -3.516 7.715 -2.343 1.00 1.00 H new ATOM 0 HD2 LYS A 82 -2.277 9.503 -3.631 1.00 1.00 H new ATOM 0 HD3 LYS A 82 -3.758 9.883 -4.488 1.00 1.00 H new ATOM 0 HE2 LYS A 82 -3.747 11.470 -2.716 1.00 1.00 H new ATOM 0 HE3 LYS A 82 -4.826 10.226 -2.118 1.00 1.00 H new ATOM 0 HZ1 LYS A 82 -3.038 10.980 -0.537 1.00 1.00 H new ATOM 0 HZ2 LYS A 82 -3.120 9.302 -0.782 1.00 1.00 H new ATOM 0 HZ3 LYS A 82 -1.906 10.213 -1.544 1.00 1.00 H new ATOM 1331 N ALA A 83 -5.595 6.103 -6.334 1.00 1.00 N ATOM 1332 CA ALA A 83 -6.884 6.291 -7.004 1.00 1.00 C ATOM 1333 C ALA A 83 -7.898 5.261 -6.512 1.00 1.00 C ATOM 1334 O ALA A 83 -9.022 5.612 -6.155 1.00 1.00 O ATOM 1335 CB ALA A 83 -6.709 6.151 -8.520 1.00 1.00 C ATOM 0 H ALA A 83 -4.791 6.058 -6.960 1.00 1.00 H new ATOM 0 HA ALA A 83 -7.253 7.290 -6.770 1.00 1.00 H new ATOM 0 HB1 ALA A 83 -7.671 6.292 -9.012 1.00 1.00 H new ATOM 0 HB2 ALA A 83 -6.006 6.904 -8.876 1.00 1.00 H new ATOM 0 HB3 ALA A 83 -6.325 5.157 -8.752 1.00 1.00 H new ATOM 1341 N ASP A 84 -7.490 3.996 -6.495 1.00 1.00 N ATOM 1342 CA ASP A 84 -8.370 2.926 -6.041 1.00 1.00 C ATOM 1343 C ASP A 84 -8.852 3.209 -4.616 1.00 1.00 C ATOM 1344 O ASP A 84 -9.989 2.893 -4.267 1.00 1.00 O ATOM 1345 CB ASP A 84 -7.626 1.586 -6.077 1.00 1.00 C ATOM 1346 CG ASP A 84 -7.369 1.164 -7.520 1.00 1.00 C ATOM 1347 OD1 ASP A 84 -7.999 1.722 -8.403 1.00 1.00 O ATOM 1348 OD2 ASP A 84 -6.547 0.286 -7.721 1.00 1.00 O ATOM 0 H ASP A 84 -6.563 3.689 -6.788 1.00 1.00 H new ATOM 0 HA ASP A 84 -9.233 2.876 -6.705 1.00 1.00 H new ATOM 0 HB2 ASP A 84 -6.680 1.672 -5.542 1.00 1.00 H new ATOM 0 HB3 ASP A 84 -8.213 0.822 -5.566 1.00 1.00 H new ATOM 1353 N ALA A 85 -7.989 3.806 -3.800 1.00 1.00 N ATOM 1354 CA ALA A 85 -8.349 4.128 -2.424 1.00 1.00 C ATOM 1355 C ALA A 85 -9.437 5.203 -2.386 1.00 1.00 C ATOM 1356 O ALA A 85 -10.421 5.087 -1.655 1.00 1.00 O ATOM 1357 CB ALA A 85 -7.107 4.611 -1.663 1.00 1.00 C ATOM 0 H ALA A 85 -7.042 4.075 -4.065 1.00 1.00 H new ATOM 0 HA ALA A 85 -8.739 3.229 -1.947 1.00 1.00 H new ATOM 0 HB1 ALA A 85 -7.380 4.851 -0.635 1.00 1.00 H new ATOM 0 HB2 ALA A 85 -6.351 3.825 -1.664 1.00 1.00 H new ATOM 0 HB3 ALA A 85 -6.706 5.501 -2.149 1.00 1.00 H new ATOM 1363 N LEU A 86 -9.248 6.251 -3.181 1.00 1.00 N ATOM 1364 CA LEU A 86 -10.211 7.347 -3.247 1.00 1.00 C ATOM 1365 C LEU A 86 -11.529 6.867 -3.841 1.00 1.00 C ATOM 1366 O LEU A 86 -12.601 7.322 -3.439 1.00 1.00 O ATOM 1367 CB LEU A 86 -9.617 8.503 -4.085 1.00 1.00 C ATOM 1368 CG LEU A 86 -8.775 9.425 -3.181 1.00 1.00 C ATOM 1369 CD1 LEU A 86 -7.703 8.604 -2.457 1.00 1.00 C ATOM 1370 CD2 LEU A 86 -8.110 10.523 -4.027 1.00 1.00 C ATOM 0 H LEU A 86 -8.437 6.366 -3.789 1.00 1.00 H new ATOM 0 HA LEU A 86 -10.414 7.709 -2.239 1.00 1.00 H new ATOM 0 HB2 LEU A 86 -8.998 8.102 -4.888 1.00 1.00 H new ATOM 0 HB3 LEU A 86 -10.419 9.073 -4.555 1.00 1.00 H new ATOM 0 HG LEU A 86 -9.427 9.892 -2.442 1.00 1.00 H new ATOM 0 HD11 LEU A 86 -7.111 9.260 -1.819 1.00 1.00 H new ATOM 0 HD12 LEU A 86 -8.182 7.839 -1.845 1.00 1.00 H new ATOM 0 HD13 LEU A 86 -7.053 8.127 -3.190 1.00 1.00 H new ATOM 0 HD21 LEU A 86 -7.517 11.171 -3.381 1.00 1.00 H new ATOM 0 HD22 LEU A 86 -7.463 10.064 -4.775 1.00 1.00 H new ATOM 0 HD23 LEU A 86 -8.878 11.114 -4.526 1.00 1.00 H new ATOM 1382 N ARG A 87 -11.440 5.952 -4.799 1.00 1.00 N ATOM 1383 CA ARG A 87 -12.638 5.429 -5.439 1.00 1.00 C ATOM 1384 C ARG A 87 -13.642 4.926 -4.405 1.00 1.00 C ATOM 1385 O ARG A 87 -14.781 4.608 -4.746 1.00 1.00 O ATOM 1386 CB ARG A 87 -12.250 4.291 -6.391 1.00 1.00 C ATOM 1387 CG ARG A 87 -11.531 4.862 -7.648 1.00 1.00 C ATOM 1388 CD ARG A 87 -12.534 5.051 -8.789 1.00 1.00 C ATOM 1389 NE ARG A 87 -13.545 6.037 -8.417 1.00 1.00 N ATOM 1390 CZ ARG A 87 -14.721 6.084 -9.030 1.00 1.00 C ATOM 1391 NH1 ARG A 87 -14.989 5.233 -9.981 1.00 1.00 N ATOM 1392 NH2 ARG A 87 -15.605 6.976 -8.680 1.00 1.00 N ATOM 0 H ARG A 87 -10.563 5.562 -5.145 1.00 1.00 H new ATOM 0 HA ARG A 87 -13.111 6.235 -6.000 1.00 1.00 H new ATOM 0 HB2 ARG A 87 -11.596 3.585 -5.878 1.00 1.00 H new ATOM 0 HB3 ARG A 87 -13.141 3.739 -6.692 1.00 1.00 H new ATOM 0 HG2 ARG A 87 -11.061 5.815 -7.406 1.00 1.00 H new ATOM 0 HG3 ARG A 87 -10.736 4.185 -7.961 1.00 1.00 H new ATOM 0 HD2 ARG A 87 -12.013 5.376 -9.690 1.00 1.00 H new ATOM 0 HD3 ARG A 87 -13.012 4.100 -9.023 1.00 1.00 H new ATOM 0 HE ARG A 87 -13.343 6.703 -7.671 1.00 1.00 H new ATOM 0 HH11 ARG A 87 -14.296 4.535 -10.251 1.00 1.00 H new ATOM 0 HH12 ARG A 87 -15.892 5.265 -10.455 1.00 1.00 H new ATOM 0 HH21 ARG A 87 -15.393 7.639 -7.934 1.00 1.00 H new ATOM 0 HH22 ARG A 87 -16.509 7.011 -9.152 1.00 1.00 H new ATOM 1406 N TYR A 88 -13.208 4.859 -3.151 1.00 1.00 N ATOM 1407 CA TYR A 88 -14.059 4.396 -2.061 1.00 1.00 C ATOM 1408 C TYR A 88 -13.753 5.166 -0.782 1.00 1.00 C ATOM 1409 O TYR A 88 -13.321 4.592 0.218 1.00 1.00 O ATOM 1410 CB TYR A 88 -13.836 2.900 -1.841 1.00 1.00 C ATOM 1411 CG TYR A 88 -14.298 2.141 -3.068 1.00 1.00 C ATOM 1412 CD1 TYR A 88 -15.641 1.760 -3.193 1.00 1.00 C ATOM 1413 CD2 TYR A 88 -13.385 1.825 -4.083 1.00 1.00 C ATOM 1414 CE1 TYR A 88 -16.068 1.062 -4.331 1.00 1.00 C ATOM 1415 CE2 TYR A 88 -13.812 1.129 -5.219 1.00 1.00 C ATOM 1416 CZ TYR A 88 -15.153 0.747 -5.343 1.00 1.00 C ATOM 1417 OH TYR A 88 -15.573 0.060 -6.464 1.00 1.00 O ATOM 0 H TYR A 88 -12.265 5.121 -2.863 1.00 1.00 H new ATOM 0 HA TYR A 88 -15.102 4.571 -2.325 1.00 1.00 H new ATOM 0 HB2 TYR A 88 -12.781 2.701 -1.652 1.00 1.00 H new ATOM 0 HB3 TYR A 88 -14.386 2.564 -0.962 1.00 1.00 H new ATOM 0 HD1 TYR A 88 -16.347 2.004 -2.413 1.00 1.00 H new ATOM 0 HD2 TYR A 88 -12.350 2.119 -3.988 1.00 1.00 H new ATOM 0 HE1 TYR A 88 -17.103 0.767 -4.427 1.00 1.00 H new ATOM 0 HE2 TYR A 88 -13.107 0.886 -6.000 1.00 1.00 H new ATOM 0 HH TYR A 88 -14.813 -0.076 -7.068 1.00 1.00 H new ATOM 1427 N ILE A 89 -13.980 6.476 -0.803 1.00 1.00 N ATOM 1428 CA ILE A 89 -13.737 7.346 0.355 1.00 1.00 C ATOM 1429 C ILE A 89 -14.963 8.210 0.636 1.00 1.00 C ATOM 1430 O ILE A 89 -15.631 8.694 -0.278 1.00 1.00 O ATOM 1431 CB ILE A 89 -12.516 8.252 0.095 1.00 1.00 C ATOM 1432 CG1 ILE A 89 -12.115 8.967 1.401 1.00 1.00 C ATOM 1433 CG2 ILE A 89 -12.857 9.306 -0.979 1.00 1.00 C ATOM 1434 CD1 ILE A 89 -10.738 9.612 1.232 1.00 1.00 C ATOM 0 H ILE A 89 -14.338 6.969 -1.621 1.00 1.00 H new ATOM 0 HA ILE A 89 -13.538 6.716 1.222 1.00 1.00 H new ATOM 0 HB ILE A 89 -11.688 7.636 -0.257 1.00 1.00 H new ATOM 0 HG12 ILE A 89 -12.855 9.727 1.653 1.00 1.00 H new ATOM 0 HG13 ILE A 89 -12.095 8.255 2.226 1.00 1.00 H new ATOM 0 HG21 ILE A 89 -11.988 9.940 -1.155 1.00 1.00 H new ATOM 0 HG22 ILE A 89 -13.134 8.804 -1.906 1.00 1.00 H new ATOM 0 HG23 ILE A 89 -13.690 9.919 -0.636 1.00 1.00 H new ATOM 0 HD11 ILE A 89 -10.457 10.117 2.156 1.00 1.00 H new ATOM 0 HD12 ILE A 89 -10.002 8.842 1.000 1.00 1.00 H new ATOM 0 HD13 ILE A 89 -10.773 10.337 0.419 1.00 1.00 H new ATOM 1446 N GLU A 90 -15.264 8.407 1.916 1.00 1.00 N ATOM 1447 CA GLU A 90 -16.411 9.220 2.310 1.00 1.00 C ATOM 1448 C GLU A 90 -16.043 10.703 2.311 1.00 1.00 C ATOM 1449 O GLU A 90 -15.525 11.235 3.292 1.00 1.00 O ATOM 1450 CB GLU A 90 -16.885 8.797 3.705 1.00 1.00 C ATOM 1451 CG GLU A 90 -17.460 7.359 3.664 1.00 1.00 C ATOM 1452 CD GLU A 90 -16.334 6.324 3.709 1.00 1.00 C ATOM 1453 OE1 GLU A 90 -15.182 6.722 3.682 1.00 1.00 O ATOM 1454 OE2 GLU A 90 -16.646 5.146 3.774 1.00 1.00 O ATOM 0 H GLU A 90 -14.733 8.017 2.695 1.00 1.00 H new ATOM 0 HA GLU A 90 -17.216 9.065 1.591 1.00 1.00 H new ATOM 0 HB2 GLU A 90 -16.054 8.844 4.409 1.00 1.00 H new ATOM 0 HB3 GLU A 90 -17.646 9.490 4.064 1.00 1.00 H new ATOM 0 HG2 GLU A 90 -18.134 7.207 4.507 1.00 1.00 H new ATOM 0 HG3 GLU A 90 -18.049 7.223 2.757 1.00 1.00 H new ATOM 1505 N VAL A 94 -14.786 14.288 -6.665 1.00 1.00 N ATOM 1506 CA VAL A 94 -13.936 14.866 -7.698 1.00 1.00 C ATOM 1507 C VAL A 94 -12.480 14.467 -7.477 1.00 1.00 C ATOM 1508 O VAL A 94 -11.679 14.493 -8.413 1.00 1.00 O ATOM 1509 CB VAL A 94 -14.066 16.397 -7.692 1.00 1.00 C ATOM 1510 CG1 VAL A 94 -15.430 16.803 -8.259 1.00 1.00 C ATOM 1511 CG2 VAL A 94 -13.942 16.912 -6.253 1.00 1.00 C ATOM 0 HA VAL A 94 -14.259 14.484 -8.666 1.00 1.00 H new ATOM 0 HB VAL A 94 -13.276 16.828 -8.307 1.00 1.00 H new ATOM 0 HG11 VAL A 94 -15.518 17.889 -8.253 1.00 1.00 H new ATOM 0 HG12 VAL A 94 -15.522 16.437 -9.282 1.00 1.00 H new ATOM 0 HG13 VAL A 94 -16.222 16.372 -7.646 1.00 1.00 H new ATOM 0 HG21 VAL A 94 -14.034 17.998 -6.246 1.00 1.00 H new ATOM 0 HG22 VAL A 94 -14.733 16.477 -5.641 1.00 1.00 H new ATOM 0 HG23 VAL A 94 -12.971 16.627 -5.847 1.00 1.00 H new ATOM 1521 N GLU A 95 -12.138 14.097 -6.248 1.00 1.00 N ATOM 1522 CA GLU A 95 -10.774 13.696 -5.927 1.00 1.00 C ATOM 1523 C GLU A 95 -10.407 12.409 -6.663 1.00 1.00 C ATOM 1524 O GLU A 95 -9.363 12.325 -7.309 1.00 1.00 O ATOM 1525 CB GLU A 95 -10.631 13.486 -4.411 1.00 1.00 C ATOM 1526 CG GLU A 95 -10.810 14.819 -3.672 1.00 1.00 C ATOM 1527 CD GLU A 95 -9.645 15.756 -3.979 1.00 1.00 C ATOM 1528 OE1 GLU A 95 -8.605 15.265 -4.386 1.00 1.00 O ATOM 1529 OE2 GLU A 95 -9.810 16.953 -3.802 1.00 1.00 O ATOM 0 H GLU A 95 -12.785 14.066 -5.460 1.00 1.00 H new ATOM 0 HA GLU A 95 -10.096 14.488 -6.246 1.00 1.00 H new ATOM 0 HB2 GLU A 95 -11.374 12.767 -4.064 1.00 1.00 H new ATOM 0 HB3 GLU A 95 -9.651 13.066 -4.186 1.00 1.00 H new ATOM 0 HG2 GLU A 95 -11.749 15.285 -3.971 1.00 1.00 H new ATOM 0 HG3 GLU A 95 -10.870 14.642 -2.598 1.00 1.00 H new ATOM 1536 N ALA A 96 -11.271 11.404 -6.565 1.00 1.00 N ATOM 1537 CA ALA A 96 -11.022 10.127 -7.229 1.00 1.00 C ATOM 1538 C ALA A 96 -10.826 10.324 -8.730 1.00 1.00 C ATOM 1539 O ALA A 96 -10.031 9.620 -9.355 1.00 1.00 O ATOM 1540 CB ALA A 96 -12.198 9.177 -6.992 1.00 1.00 C ATOM 0 H ALA A 96 -12.143 11.446 -6.037 1.00 1.00 H new ATOM 0 HA ALA A 96 -10.112 9.698 -6.809 1.00 1.00 H new ATOM 0 HB1 ALA A 96 -12.005 8.227 -7.490 1.00 1.00 H new ATOM 0 HB2 ALA A 96 -12.319 9.007 -5.922 1.00 1.00 H new ATOM 0 HB3 ALA A 96 -13.110 9.619 -7.395 1.00 1.00 H new ATOM 1546 N GLU A 97 -11.549 11.282 -9.299 1.00 1.00 N ATOM 1547 CA GLU A 97 -11.437 11.551 -10.733 1.00 1.00 C ATOM 1548 C GLU A 97 -10.047 12.098 -11.072 1.00 1.00 C ATOM 1549 O GLU A 97 -9.402 11.646 -12.018 1.00 1.00 O ATOM 1550 CB GLU A 97 -12.500 12.571 -11.165 1.00 1.00 C ATOM 1551 CG GLU A 97 -13.907 11.990 -10.978 1.00 1.00 C ATOM 1552 CD GLU A 97 -14.134 10.831 -11.943 1.00 1.00 C ATOM 1553 OE1 GLU A 97 -13.412 10.751 -12.924 1.00 1.00 O ATOM 1554 OE2 GLU A 97 -15.035 10.048 -11.696 1.00 1.00 O ATOM 0 H GLU A 97 -12.210 11.879 -8.801 1.00 1.00 H new ATOM 0 HA GLU A 97 -11.592 10.614 -11.267 1.00 1.00 H new ATOM 0 HB2 GLU A 97 -12.396 13.484 -10.579 1.00 1.00 H new ATOM 0 HB3 GLU A 97 -12.348 12.844 -12.209 1.00 1.00 H new ATOM 0 HG2 GLU A 97 -14.033 11.647 -9.951 1.00 1.00 H new ATOM 0 HG3 GLU A 97 -14.654 12.766 -11.148 1.00 1.00 H new ATOM 1561 N ILE A 98 -9.591 13.075 -10.297 1.00 1.00 N ATOM 1562 CA ILE A 98 -8.278 13.683 -10.525 1.00 1.00 C ATOM 1563 C ILE A 98 -7.188 12.613 -10.444 1.00 1.00 C ATOM 1564 O ILE A 98 -6.249 12.615 -11.241 1.00 1.00 O ATOM 1565 CB ILE A 98 -8.018 14.781 -9.473 1.00 1.00 C ATOM 1566 CG1 ILE A 98 -8.986 15.954 -9.708 1.00 1.00 C ATOM 1567 CG2 ILE A 98 -6.566 15.290 -9.575 1.00 1.00 C ATOM 1568 CD1 ILE A 98 -8.951 16.898 -8.502 1.00 1.00 C ATOM 0 H ILE A 98 -10.106 13.465 -9.507 1.00 1.00 H new ATOM 0 HA ILE A 98 -8.261 14.132 -11.518 1.00 1.00 H new ATOM 0 HB ILE A 98 -8.177 14.361 -8.480 1.00 1.00 H new ATOM 0 HG12 ILE A 98 -8.707 16.493 -10.613 1.00 1.00 H new ATOM 0 HG13 ILE A 98 -9.998 15.579 -9.860 1.00 1.00 H new ATOM 0 HG21 ILE A 98 -6.398 16.064 -8.826 1.00 1.00 H new ATOM 0 HG22 ILE A 98 -5.877 14.463 -9.402 1.00 1.00 H new ATOM 0 HG23 ILE A 98 -6.394 15.703 -10.569 1.00 1.00 H new ATOM 0 HD11 ILE A 98 -9.637 17.728 -8.670 1.00 1.00 H new ATOM 0 HD12 ILE A 98 -9.251 16.355 -7.606 1.00 1.00 H new ATOM 0 HD13 ILE A 98 -7.940 17.284 -8.371 1.00 1.00 H new ATOM 1580 N ALA A 99 -7.315 11.706 -9.483 1.00 1.00 N ATOM 1581 CA ALA A 99 -6.321 10.651 -9.318 1.00 1.00 C ATOM 1582 C ALA A 99 -6.280 9.745 -10.543 1.00 1.00 C ATOM 1583 O ALA A 99 -5.208 9.485 -11.090 1.00 1.00 O ATOM 1584 CB ALA A 99 -6.652 9.826 -8.072 1.00 1.00 C ATOM 0 H ALA A 99 -8.085 11.678 -8.814 1.00 1.00 H new ATOM 0 HA ALA A 99 -5.341 11.113 -9.202 1.00 1.00 H new ATOM 0 HB1 ALA A 99 -5.909 9.038 -7.949 1.00 1.00 H new ATOM 0 HB2 ALA A 99 -6.643 10.473 -7.195 1.00 1.00 H new ATOM 0 HB3 ALA A 99 -7.640 9.379 -8.183 1.00 1.00 H new ATOM 1590 N GLU A 100 -7.455 9.280 -10.953 1.00 1.00 N ATOM 1591 CA GLU A 100 -7.536 8.405 -12.118 1.00 1.00 C ATOM 1592 C GLU A 100 -6.886 9.065 -13.333 1.00 1.00 C ATOM 1593 O GLU A 100 -6.129 8.421 -14.059 1.00 1.00 O ATOM 1594 CB GLU A 100 -9.002 8.073 -12.429 1.00 1.00 C ATOM 1595 CG GLU A 100 -9.547 7.083 -11.400 1.00 1.00 C ATOM 1596 CD GLU A 100 -10.988 6.724 -11.746 1.00 1.00 C ATOM 1597 OE1 GLU A 100 -11.797 7.631 -11.853 1.00 1.00 O ATOM 1598 OE2 GLU A 100 -11.261 5.545 -11.891 1.00 1.00 O ATOM 0 H GLU A 100 -8.348 9.488 -10.507 1.00 1.00 H new ATOM 0 HA GLU A 100 -7.000 7.483 -11.892 1.00 1.00 H new ATOM 0 HB2 GLU A 100 -9.599 8.985 -12.419 1.00 1.00 H new ATOM 0 HB3 GLU A 100 -9.082 7.650 -13.430 1.00 1.00 H new ATOM 0 HG2 GLU A 100 -8.931 6.184 -11.385 1.00 1.00 H new ATOM 0 HG3 GLU A 100 -9.500 7.518 -10.402 1.00 1.00 H new ATOM 1605 N ALA A 101 -7.186 10.342 -13.546 1.00 1.00 N ATOM 1606 CA ALA A 101 -6.618 11.066 -14.677 1.00 1.00 C ATOM 1607 C ALA A 101 -5.118 11.277 -14.488 1.00 1.00 C ATOM 1608 O ALA A 101 -4.338 11.144 -15.431 1.00 1.00 O ATOM 1609 CB ALA A 101 -7.312 12.420 -14.833 1.00 1.00 C ATOM 0 H ALA A 101 -7.812 10.892 -12.958 1.00 1.00 H new ATOM 0 HA ALA A 101 -6.775 10.471 -15.577 1.00 1.00 H new ATOM 0 HB1 ALA A 101 -6.881 12.954 -15.680 1.00 1.00 H new ATOM 0 HB2 ALA A 101 -8.377 12.265 -15.005 1.00 1.00 H new ATOM 0 HB3 ALA A 101 -7.173 13.007 -13.925 1.00 1.00 H new ATOM 1615 N ARG A 102 -4.719 11.611 -13.265 1.00 1.00 N ATOM 1616 CA ARG A 102 -3.312 11.844 -12.960 1.00 1.00 C ATOM 1617 C ARG A 102 -2.494 10.575 -13.181 1.00 1.00 C ATOM 1618 O ARG A 102 -1.385 10.616 -13.714 1.00 1.00 O ATOM 1619 CB ARG A 102 -3.156 12.319 -11.507 1.00 1.00 C ATOM 1620 CG ARG A 102 -1.678 12.650 -11.197 1.00 1.00 C ATOM 1621 CD ARG A 102 -1.183 13.810 -12.085 1.00 1.00 C ATOM 1622 NE ARG A 102 -0.099 14.522 -11.428 1.00 1.00 N ATOM 1623 CZ ARG A 102 0.478 15.567 -12.010 1.00 1.00 C ATOM 1624 NH1 ARG A 102 0.071 15.962 -13.186 1.00 1.00 N ATOM 1625 NH2 ARG A 102 1.446 16.198 -11.407 1.00 1.00 N ATOM 0 H ARG A 102 -5.348 11.726 -12.471 1.00 1.00 H new ATOM 0 HA ARG A 102 -2.941 12.618 -13.631 1.00 1.00 H new ATOM 0 HB2 ARG A 102 -3.774 13.201 -11.339 1.00 1.00 H new ATOM 0 HB3 ARG A 102 -3.511 11.546 -10.826 1.00 1.00 H new ATOM 0 HG2 ARG A 102 -1.573 12.919 -10.146 1.00 1.00 H new ATOM 0 HG3 ARG A 102 -1.060 11.768 -11.364 1.00 1.00 H new ATOM 0 HD2 ARG A 102 -0.843 13.422 -13.045 1.00 1.00 H new ATOM 0 HD3 ARG A 102 -2.005 14.495 -12.291 1.00 1.00 H new ATOM 0 HE ARG A 102 0.222 14.215 -10.510 1.00 1.00 H new ATOM 0 HH11 ARG A 102 -0.688 15.468 -13.655 1.00 1.00 H new ATOM 0 HH12 ARG A 102 0.512 16.764 -13.635 1.00 1.00 H new ATOM 0 HH21 ARG A 102 1.761 15.889 -10.487 1.00 1.00 H new ATOM 0 HH22 ARG A 102 1.889 17.000 -11.855 1.00 1.00 H new ATOM 1639 N ALA A 103 -3.040 9.436 -12.769 1.00 1.00 N ATOM 1640 CA ALA A 103 -2.342 8.160 -12.923 1.00 1.00 C ATOM 1641 C ALA A 103 -2.365 7.695 -14.374 1.00 1.00 C ATOM 1642 O ALA A 103 -1.376 7.172 -14.887 1.00 1.00 O ATOM 1643 CB ALA A 103 -2.997 7.107 -12.030 1.00 1.00 C ATOM 0 H ALA A 103 -3.957 9.367 -12.328 1.00 1.00 H new ATOM 0 HA ALA A 103 -1.302 8.297 -12.627 1.00 1.00 H new ATOM 0 HB1 ALA A 103 -2.476 6.157 -12.146 1.00 1.00 H new ATOM 0 HB2 ALA A 103 -2.942 7.427 -10.989 1.00 1.00 H new ATOM 0 HB3 ALA A 103 -4.041 6.985 -12.317 1.00 1.00 H new ATOM 1649 N LYS A 104 -3.508 7.890 -15.023 1.00 1.00 N ATOM 1650 CA LYS A 104 -3.677 7.488 -16.421 1.00 1.00 C ATOM 1651 C LYS A 104 -3.213 8.594 -17.358 1.00 1.00 C ATOM 1652 O LYS A 104 -3.565 8.606 -18.538 1.00 1.00 O ATOM 1653 CB LYS A 104 -5.154 7.180 -16.694 1.00 1.00 C ATOM 1654 CG LYS A 104 -5.660 6.058 -15.763 1.00 1.00 C ATOM 1655 CD LYS A 104 -5.129 4.688 -16.215 1.00 1.00 C ATOM 1656 CE LYS A 104 -5.808 3.591 -15.393 1.00 1.00 C ATOM 1657 NZ LYS A 104 -5.441 3.749 -13.959 1.00 1.00 N ATOM 0 H LYS A 104 -4.332 8.323 -14.607 1.00 1.00 H new ATOM 0 HA LYS A 104 -3.073 6.598 -16.600 1.00 1.00 H new ATOM 0 HB2 LYS A 104 -5.751 8.079 -16.545 1.00 1.00 H new ATOM 0 HB3 LYS A 104 -5.282 6.881 -17.734 1.00 1.00 H new ATOM 0 HG2 LYS A 104 -5.340 6.257 -14.740 1.00 1.00 H new ATOM 0 HG3 LYS A 104 -6.750 6.047 -15.760 1.00 1.00 H new ATOM 0 HD2 LYS A 104 -5.327 4.540 -17.276 1.00 1.00 H new ATOM 0 HD3 LYS A 104 -4.048 4.642 -16.083 1.00 1.00 H new ATOM 0 HE2 LYS A 104 -6.890 3.649 -15.511 1.00 1.00 H new ATOM 0 HE3 LYS A 104 -5.501 2.609 -15.752 1.00 1.00 H new ATOM 0 HZ1 LYS A 104 -5.682 2.880 -13.441 1.00 1.00 H new ATOM 0 HZ2 LYS A 104 -4.419 3.927 -13.880 1.00 1.00 H new ATOM 0 HZ3 LYS A 104 -5.965 4.550 -13.553 1.00 1.00 H new ATOM 1671 N LEU A 105 -2.422 9.519 -16.824 1.00 1.00 N ATOM 1672 CA LEU A 105 -1.916 10.623 -17.623 1.00 1.00 C ATOM 1673 C LEU A 105 -1.032 10.085 -18.746 1.00 1.00 C ATOM 1674 O LEU A 105 -1.086 10.564 -19.878 1.00 1.00 O ATOM 1675 CB LEU A 105 -1.116 11.595 -16.740 1.00 1.00 C ATOM 1676 CG LEU A 105 -0.736 12.868 -17.535 1.00 1.00 C ATOM 1677 CD1 LEU A 105 -1.978 13.758 -17.764 1.00 1.00 C ATOM 1678 CD2 LEU A 105 0.327 13.662 -16.758 1.00 1.00 C ATOM 0 H LEU A 105 -2.121 9.525 -15.849 1.00 1.00 H new ATOM 0 HA LEU A 105 -2.758 11.161 -18.059 1.00 1.00 H new ATOM 0 HB2 LEU A 105 -1.705 11.869 -15.865 1.00 1.00 H new ATOM 0 HB3 LEU A 105 -0.213 11.105 -16.376 1.00 1.00 H new ATOM 0 HG LEU A 105 -0.338 12.567 -18.504 1.00 1.00 H new ATOM 0 HD11 LEU A 105 -1.690 14.647 -18.324 1.00 1.00 H new ATOM 0 HD12 LEU A 105 -2.726 13.201 -18.328 1.00 1.00 H new ATOM 0 HD13 LEU A 105 -2.395 14.055 -16.802 1.00 1.00 H new ATOM 0 HD21 LEU A 105 0.594 14.558 -17.319 1.00 1.00 H new ATOM 0 HD22 LEU A 105 -0.072 13.948 -15.785 1.00 1.00 H new ATOM 0 HD23 LEU A 105 1.214 13.043 -16.619 1.00 1.00 H new