USER MOD reduce.3.24.130724 H: found=0, std=0, add=933, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 934 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 29 THR OG1 : rot 66:sc= 0.823 USER MOD Set 1.2: A 31 HIS : no HD1:sc= 0.616 K(o=1.4,f=-4.6!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 164:sc= -0.0638 (180deg=-0.312) USER MOD Single : A 12 HIS : no HD1:sc=-0.00288 X(o=-0.0029,f=-0.0017) USER MOD Single : A 13 LYS NZ :NH3+ 156:sc= -0.202 (180deg=-0.677) USER MOD Single : A 14 GLN : amide:sc= -2.28! K(o=-2.3!,f=-1.5) USER MOD Single : A 15 GLN : amide:sc= -2.02! C(o=-2!,f=-3.9!) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 MET CE :methyl 135:sc= -0.109 (180deg=-1.42) USER MOD Single : A 23 SER OG : rot -39:sc= 0.433 USER MOD Single : A 26 GLN : amide:sc= -3.26! C(o=-3.3!,f=-8.4!) USER MOD Single : A 27 LYS NZ :NH3+ -129:sc= -1.22 (180deg=-1.85) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 CYS SG : rot -160:sc= -0.99 USER MOD Single : A 39 LYS NZ :NH3+ 176:sc= -0.827 (180deg=-0.962) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 130:sc= -1.69! USER MOD Single : A 48 GLN : amide:sc= -0.067 K(o=-0.067,f=-0.71) USER MOD Single : A 49 THR OG1 : rot 32:sc= 0.515 USER MOD Single : A 50 MET CE :methyl -161:sc= -0.0845 (180deg=-0.565) USER MOD Single : A 54 ASN : amide:sc= -0.543 K(o=-0.54,f=-4.5!) USER MOD Single : A 58 SER OG : rot 180:sc= -0.196 USER MOD Single : A 60 CYS SG : rot 41:sc= -0.0994 USER MOD Single : A 67 ASN : amide:sc= -0.541 K(o=-0.54,f=-1.5) USER MOD Single : A 68 THR OG1 : rot -58:sc= 0.753 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= -2.28! C(o=-2.3!,f=-4.4!) USER MOD Single : A 73 LYS NZ :NH3+ 164:sc= -0.0543 (180deg=-0.316) USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 LYS NZ :NH3+ 161:sc= -1.62! (180deg=-2.5!) USER MOD Single : A 79 ASN : amide:sc= -2.91! K(o=-2.9!,f=-0.99) USER MOD Single : A 80 GLN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 GLN : amide:sc= -1.38 K(o=-1.4,f=-0.13) USER MOD Single : A 92 GLN : amide:sc= -1.09 K(o=-1.1,f=0) USER MOD Single : A 101 THR OG1 : rot 125:sc= 0.398 USER MOD Single : A 112 GLN : amide:sc= -4.21! K(o=-4.2!,f=-2.9) USER MOD Single : A 113 SER OG : rot -40:sc= 1.17 USER MOD Single : A 118 THR OG1 : rot -73:sc= 0.907 USER MOD Single : A 120 LYS NZ :NH3+ -164:sc= -0.0402 (180deg=-0.335) USER MOD Single : A 123 THR OG1 : rot 180:sc= 0 USER MOD Single : A 124 LYS NZ :NH3+ 163:sc= -0.0663 (180deg=-0.379) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 8 4.824 25.176 5.907 1.00 0.00 N ATOM 2 CA LYS A 8 3.784 24.487 5.100 1.00 0.00 C ATOM 3 C LYS A 8 4.004 22.979 5.103 1.00 0.00 C ATOM 4 O LYS A 8 5.134 22.506 4.984 1.00 0.00 O ATOM 5 CB LYS A 8 3.800 25.011 3.663 1.00 0.00 C ATOM 6 CG LYS A 8 3.530 26.503 3.556 1.00 0.00 C ATOM 7 CD LYS A 8 3.562 26.974 2.111 1.00 0.00 C ATOM 8 CE LYS A 8 3.297 28.467 2.005 1.00 0.00 C ATOM 9 NZ LYS A 8 3.324 28.937 0.593 1.00 0.00 N ATOM 0 HA LYS A 8 2.812 24.695 5.548 1.00 0.00 H new ATOM 0 HB2 LYS A 8 4.770 24.793 3.216 1.00 0.00 H new ATOM 0 HB3 LYS A 8 3.053 24.472 3.080 1.00 0.00 H new ATOM 0 HG2 LYS A 8 2.557 26.730 3.992 1.00 0.00 H new ATOM 0 HG3 LYS A 8 4.274 27.051 4.135 1.00 0.00 H new ATOM 0 HD2 LYS A 8 4.534 26.744 1.674 1.00 0.00 H new ATOM 0 HD3 LYS A 8 2.816 26.429 1.533 1.00 0.00 H new ATOM 0 HE2 LYS A 8 2.326 28.695 2.445 1.00 0.00 H new ATOM 0 HE3 LYS A 8 4.045 29.010 2.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 3.139 29.960 0.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 4.258 28.742 0.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 2.593 28.437 0.047 1.00 0.00 H new ATOM 23 N LYS A 9 2.915 22.227 5.241 1.00 0.00 N ATOM 24 CA LYS A 9 2.987 20.771 5.261 1.00 0.00 C ATOM 25 C LYS A 9 2.550 20.186 3.922 1.00 0.00 C ATOM 26 O LYS A 9 1.990 20.887 3.079 1.00 0.00 O ATOM 27 CB LYS A 9 2.113 20.212 6.384 1.00 0.00 C ATOM 28 CG LYS A 9 2.512 20.703 7.767 1.00 0.00 C ATOM 29 CD LYS A 9 1.595 20.150 8.847 1.00 0.00 C ATOM 30 CE LYS A 9 1.727 18.640 8.978 1.00 0.00 C ATOM 31 NZ LYS A 9 3.119 18.231 9.314 1.00 0.00 N ATOM 0 H LYS A 9 1.972 22.603 5.341 1.00 0.00 H new ATOM 0 HA LYS A 9 4.024 20.486 5.440 1.00 0.00 H new ATOM 0 HB2 LYS A 9 1.075 20.486 6.196 1.00 0.00 H new ATOM 0 HB3 LYS A 9 2.164 19.123 6.365 1.00 0.00 H new ATOM 0 HG2 LYS A 9 3.540 20.407 7.976 1.00 0.00 H new ATOM 0 HG3 LYS A 9 2.484 21.792 7.788 1.00 0.00 H new ATOM 0 HD2 LYS A 9 1.832 20.620 9.801 1.00 0.00 H new ATOM 0 HD3 LYS A 9 0.562 20.406 8.613 1.00 0.00 H new ATOM 0 HE2 LYS A 9 1.047 18.282 9.751 1.00 0.00 H new ATOM 0 HE3 LYS A 9 1.425 18.167 8.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 3.119 17.249 9.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 3.716 18.301 8.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 3.496 18.857 10.054 1.00 0.00 H new ATOM 45 N ASP A 10 2.810 18.895 3.734 1.00 0.00 N ATOM 46 CA ASP A 10 2.442 18.213 2.498 1.00 0.00 C ATOM 47 C ASP A 10 1.118 17.472 2.659 1.00 0.00 C ATOM 48 O ASP A 10 0.997 16.570 3.487 1.00 0.00 O ATOM 49 CB ASP A 10 3.541 17.231 2.087 1.00 0.00 C ATOM 50 CG ASP A 10 4.869 17.920 1.840 1.00 0.00 C ATOM 51 OD1 ASP A 10 5.116 18.338 0.690 1.00 0.00 O ATOM 52 OD2 ASP A 10 5.661 18.041 2.798 1.00 0.00 O ATOM 0 H ASP A 10 3.274 18.301 4.421 1.00 0.00 H new ATOM 0 HA ASP A 10 2.325 18.965 1.718 1.00 0.00 H new ATOM 0 HB2 ASP A 10 3.664 16.480 2.867 1.00 0.00 H new ATOM 0 HB3 ASP A 10 3.234 16.704 1.183 1.00 0.00 H new ATOM 57 N GLU A 11 0.128 17.862 1.863 1.00 0.00 N ATOM 58 CA GLU A 11 -1.188 17.236 1.916 1.00 0.00 C ATOM 59 C GLU A 11 -1.770 17.071 0.515 1.00 0.00 C ATOM 60 O GLU A 11 -2.914 16.643 0.354 1.00 0.00 O ATOM 61 CB GLU A 11 -2.136 18.067 2.780 1.00 0.00 C ATOM 62 CG GLU A 11 -2.403 19.449 2.218 1.00 0.00 C ATOM 63 CD GLU A 11 -3.484 20.191 2.978 1.00 0.00 C ATOM 64 OE1 GLU A 11 -3.147 20.895 3.953 1.00 0.00 O ATOM 65 OE2 GLU A 11 -4.667 20.069 2.599 1.00 0.00 O ATOM 0 H GLU A 11 0.212 18.609 1.173 1.00 0.00 H new ATOM 0 HA GLU A 11 -1.075 16.247 2.361 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -3.082 17.536 2.884 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -1.714 18.164 3.780 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -1.482 20.031 2.244 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -2.696 19.361 1.172 1.00 0.00 H new ATOM 72 N HIS A 12 -0.976 17.413 -0.494 1.00 0.00 N ATOM 73 CA HIS A 12 -1.413 17.304 -1.882 1.00 0.00 C ATOM 74 C HIS A 12 -1.457 15.845 -2.326 1.00 0.00 C ATOM 75 O HIS A 12 -2.337 15.444 -3.086 1.00 0.00 O ATOM 76 CB HIS A 12 -0.478 18.099 -2.796 1.00 0.00 C ATOM 77 CG HIS A 12 -0.410 19.557 -2.461 1.00 0.00 C ATOM 78 ND1 HIS A 12 -1.111 20.522 -3.154 1.00 0.00 N ATOM 79 CD2 HIS A 12 0.284 20.214 -1.501 1.00 0.00 C ATOM 80 CE1 HIS A 12 -0.851 21.709 -2.635 1.00 0.00 C ATOM 81 NE2 HIS A 12 -0.009 21.549 -1.632 1.00 0.00 N ATOM 0 H HIS A 12 -0.027 17.768 -0.377 1.00 0.00 H new ATOM 0 HA HIS A 12 -2.419 17.717 -1.954 1.00 0.00 H new ATOM 0 HB2 HIS A 12 0.524 17.674 -2.736 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -0.810 17.987 -3.828 1.00 0.00 H new ATOM 0 HD2 HIS A 12 0.944 19.771 -0.770 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -1.258 22.650 -2.974 1.00 0.00 H new ATOM 0 HE2 HIS A 12 0.364 22.297 -1.048 1.00 0.00 H new ATOM 90 N LYS A 13 -0.501 15.057 -1.844 1.00 0.00 N ATOM 91 CA LYS A 13 -0.430 13.642 -2.190 1.00 0.00 C ATOM 92 C LYS A 13 0.440 12.877 -1.196 1.00 0.00 C ATOM 93 O LYS A 13 1.476 13.373 -0.752 1.00 0.00 O ATOM 94 CB LYS A 13 0.106 13.469 -3.606 1.00 0.00 C ATOM 95 CG LYS A 13 1.547 13.900 -3.764 1.00 0.00 C ATOM 96 CD LYS A 13 2.112 13.410 -5.081 1.00 0.00 C ATOM 97 CE LYS A 13 1.626 14.253 -6.248 1.00 0.00 C ATOM 98 NZ LYS A 13 2.015 15.683 -6.101 1.00 0.00 N ATOM 0 H LYS A 13 0.235 15.374 -1.213 1.00 0.00 H new ATOM 0 HA LYS A 13 -1.439 13.231 -2.143 1.00 0.00 H new ATOM 0 HB2 LYS A 13 0.015 12.422 -3.895 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -0.514 14.044 -4.293 1.00 0.00 H new ATOM 0 HG2 LYS A 13 1.614 14.987 -3.716 1.00 0.00 H new ATOM 0 HG3 LYS A 13 2.142 13.507 -2.939 1.00 0.00 H new ATOM 0 HD2 LYS A 13 3.201 13.435 -5.042 1.00 0.00 H new ATOM 0 HD3 LYS A 13 1.823 12.371 -5.237 1.00 0.00 H new ATOM 0 HE2 LYS A 13 2.038 13.859 -7.177 1.00 0.00 H new ATOM 0 HE3 LYS A 13 0.541 14.178 -6.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 2.043 16.133 -7.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 1.319 16.172 -5.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 2.955 15.744 -5.659 1.00 0.00 H new ATOM 112 N GLN A 14 0.008 11.668 -0.850 1.00 0.00 N ATOM 113 CA GLN A 14 0.738 10.832 0.096 1.00 0.00 C ATOM 114 C GLN A 14 1.905 10.114 -0.574 1.00 0.00 C ATOM 115 O GLN A 14 1.720 9.381 -1.543 1.00 0.00 O ATOM 116 CB GLN A 14 -0.202 9.802 0.722 1.00 0.00 C ATOM 117 CG GLN A 14 -1.057 10.358 1.849 1.00 0.00 C ATOM 118 CD GLN A 14 -0.233 11.040 2.924 1.00 0.00 C ATOM 119 OE1 GLN A 14 0.009 12.246 2.866 1.00 0.00 O ATOM 120 NE2 GLN A 14 0.206 10.268 3.910 1.00 0.00 N ATOM 0 H GLN A 14 -0.847 11.245 -1.212 1.00 0.00 H new ATOM 0 HA GLN A 14 1.139 11.485 0.871 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -0.855 9.401 -0.053 1.00 0.00 H new ATOM 0 HB3 GLN A 14 0.389 8.969 1.103 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -1.774 11.070 1.439 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -1.633 9.548 2.297 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -0.019 9.273 3.918 1.00 0.00 H new ATOM 0 HE22 GLN A 14 0.768 10.669 4.660 1.00 0.00 H new ATOM 129 N GLN A 15 3.106 10.330 -0.045 1.00 0.00 N ATOM 130 CA GLN A 15 4.308 9.694 -0.578 1.00 0.00 C ATOM 131 C GLN A 15 5.274 9.355 0.552 1.00 0.00 C ATOM 132 O GLN A 15 5.531 10.181 1.429 1.00 0.00 O ATOM 133 CB GLN A 15 5.002 10.602 -1.595 1.00 0.00 C ATOM 134 CG GLN A 15 4.096 11.072 -2.720 1.00 0.00 C ATOM 135 CD GLN A 15 4.824 11.938 -3.728 1.00 0.00 C ATOM 136 OE1 GLN A 15 5.361 11.441 -4.718 1.00 0.00 O ATOM 137 NE2 GLN A 15 4.849 13.243 -3.479 1.00 0.00 N ATOM 0 H GLN A 15 3.273 10.942 0.754 1.00 0.00 H new ATOM 0 HA GLN A 15 4.007 8.775 -1.081 1.00 0.00 H new ATOM 0 HB2 GLN A 15 5.402 11.473 -1.076 1.00 0.00 H new ATOM 0 HB3 GLN A 15 5.851 10.069 -2.024 1.00 0.00 H new ATOM 0 HG2 GLN A 15 3.674 10.205 -3.228 1.00 0.00 H new ATOM 0 HG3 GLN A 15 3.261 11.633 -2.300 1.00 0.00 H new ATOM 0 HE21 GLN A 15 4.390 13.612 -2.646 1.00 0.00 H new ATOM 0 HE22 GLN A 15 5.327 13.876 -4.121 1.00 0.00 H new ATOM 146 N GLY A 16 5.807 8.139 0.527 1.00 0.00 N ATOM 147 CA GLY A 16 6.738 7.717 1.559 1.00 0.00 C ATOM 148 C GLY A 16 7.148 6.264 1.419 1.00 0.00 C ATOM 149 O GLY A 16 7.617 5.843 0.361 1.00 0.00 O ATOM 0 H GLY A 16 5.612 7.438 -0.188 1.00 0.00 H new ATOM 0 HA2 GLY A 16 7.627 8.346 1.520 1.00 0.00 H new ATOM 0 HA3 GLY A 16 6.283 7.869 2.538 1.00 0.00 H new ATOM 153 N GLU A 17 6.970 5.496 2.489 1.00 0.00 N ATOM 154 CA GLU A 17 7.330 4.083 2.486 1.00 0.00 C ATOM 155 C GLU A 17 6.256 3.242 3.172 1.00 0.00 C ATOM 156 O GLU A 17 5.594 3.702 4.102 1.00 0.00 O ATOM 157 CB GLU A 17 8.674 3.880 3.186 1.00 0.00 C ATOM 158 CG GLU A 17 9.807 4.688 2.574 1.00 0.00 C ATOM 159 CD GLU A 17 11.107 4.546 3.339 1.00 0.00 C ATOM 160 OE1 GLU A 17 11.325 5.326 4.290 1.00 0.00 O ATOM 161 OE2 GLU A 17 11.908 3.654 2.988 1.00 0.00 O ATOM 0 H GLU A 17 6.578 5.829 3.370 1.00 0.00 H new ATOM 0 HA GLU A 17 7.411 3.757 1.449 1.00 0.00 H new ATOM 0 HB2 GLU A 17 8.572 4.151 4.237 1.00 0.00 H new ATOM 0 HB3 GLU A 17 8.935 2.822 3.154 1.00 0.00 H new ATOM 0 HG2 GLU A 17 9.960 4.368 1.543 1.00 0.00 H new ATOM 0 HG3 GLU A 17 9.522 5.740 2.542 1.00 0.00 H new ATOM 168 N LEU A 18 6.092 2.008 2.705 1.00 0.00 N ATOM 169 CA LEU A 18 5.103 1.098 3.272 1.00 0.00 C ATOM 170 C LEU A 18 5.573 -0.349 3.173 1.00 0.00 C ATOM 171 O LEU A 18 6.571 -0.644 2.515 1.00 0.00 O ATOM 172 CB LEU A 18 3.757 1.257 2.559 1.00 0.00 C ATOM 173 CG LEU A 18 2.693 2.040 3.333 1.00 0.00 C ATOM 174 CD1 LEU A 18 1.405 2.120 2.529 1.00 0.00 C ATOM 175 CD2 LEU A 18 2.433 1.401 4.690 1.00 0.00 C ATOM 0 H LEU A 18 6.632 1.615 1.934 1.00 0.00 H new ATOM 0 HA LEU A 18 4.980 1.352 4.325 1.00 0.00 H new ATOM 0 HB2 LEU A 18 3.927 1.754 1.604 1.00 0.00 H new ATOM 0 HB3 LEU A 18 3.364 0.265 2.336 1.00 0.00 H new ATOM 0 HG LEU A 18 3.065 3.051 3.497 1.00 0.00 H new ATOM 0 HD11 LEU A 18 0.658 2.680 3.093 1.00 0.00 H new ATOM 0 HD12 LEU A 18 1.598 2.624 1.582 1.00 0.00 H new ATOM 0 HD13 LEU A 18 1.034 1.114 2.335 1.00 0.00 H new ATOM 0 HD21 LEU A 18 1.674 1.974 5.222 1.00 0.00 H new ATOM 0 HD22 LEU A 18 2.084 0.378 4.550 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.355 1.393 5.271 1.00 0.00 H new ATOM 187 N TYR A 19 4.848 -1.248 3.831 1.00 0.00 N ATOM 188 CA TYR A 19 5.188 -2.665 3.818 1.00 0.00 C ATOM 189 C TYR A 19 4.091 -3.479 3.146 1.00 0.00 C ATOM 190 O TYR A 19 2.903 -3.236 3.361 1.00 0.00 O ATOM 191 CB TYR A 19 5.415 -3.171 5.243 1.00 0.00 C ATOM 192 CG TYR A 19 6.572 -2.498 5.948 1.00 0.00 C ATOM 193 CD1 TYR A 19 6.458 -1.198 6.423 1.00 0.00 C ATOM 194 CD2 TYR A 19 7.775 -3.164 6.137 1.00 0.00 C ATOM 195 CE1 TYR A 19 7.513 -0.580 7.068 1.00 0.00 C ATOM 196 CE2 TYR A 19 8.834 -2.553 6.782 1.00 0.00 C ATOM 197 CZ TYR A 19 8.698 -1.262 7.245 1.00 0.00 C ATOM 198 OH TYR A 19 9.750 -0.650 7.887 1.00 0.00 O ATOM 0 H TYR A 19 4.020 -1.019 4.381 1.00 0.00 H new ATOM 0 HA TYR A 19 6.109 -2.787 3.247 1.00 0.00 H new ATOM 0 HB2 TYR A 19 4.506 -3.015 5.824 1.00 0.00 H new ATOM 0 HB3 TYR A 19 5.594 -4.246 5.214 1.00 0.00 H new ATOM 0 HD1 TYR A 19 5.531 -0.661 6.286 1.00 0.00 H new ATOM 0 HD2 TYR A 19 7.885 -4.175 5.774 1.00 0.00 H new ATOM 0 HE1 TYR A 19 7.409 0.432 7.431 1.00 0.00 H new ATOM 0 HE2 TYR A 19 9.763 -3.085 6.922 1.00 0.00 H new ATOM 0 HH TYR A 19 10.510 -1.267 7.930 1.00 0.00 H new ATOM 208 N MET A 20 4.497 -4.445 2.333 1.00 0.00 N ATOM 209 CA MET A 20 3.553 -5.299 1.625 1.00 0.00 C ATOM 210 C MET A 20 3.935 -6.767 1.779 1.00 0.00 C ATOM 211 O MET A 20 5.113 -7.122 1.722 1.00 0.00 O ATOM 212 CB MET A 20 3.502 -4.917 0.146 1.00 0.00 C ATOM 213 CG MET A 20 2.766 -3.612 -0.120 1.00 0.00 C ATOM 214 SD MET A 20 3.150 -2.913 -1.738 1.00 0.00 S ATOM 215 CE MET A 20 2.606 -4.234 -2.818 1.00 0.00 C ATOM 0 H MET A 20 5.477 -4.657 2.147 1.00 0.00 H new ATOM 0 HA MET A 20 2.564 -5.154 2.060 1.00 0.00 H new ATOM 0 HB2 MET A 20 4.520 -4.835 -0.235 1.00 0.00 H new ATOM 0 HB3 MET A 20 3.017 -5.718 -0.411 1.00 0.00 H new ATOM 0 HG2 MET A 20 1.692 -3.784 -0.049 1.00 0.00 H new ATOM 0 HG3 MET A 20 3.025 -2.889 0.654 1.00 0.00 H new ATOM 0 HE1 MET A 20 2.033 -3.815 -3.645 1.00 0.00 H new ATOM 0 HE2 MET A 20 3.474 -4.765 -3.209 1.00 0.00 H new ATOM 0 HE3 MET A 20 1.979 -4.928 -2.257 1.00 0.00 H new ATOM 225 N TRP A 21 2.931 -7.616 1.976 1.00 0.00 N ATOM 226 CA TRP A 21 3.160 -9.046 2.148 1.00 0.00 C ATOM 227 C TRP A 21 3.882 -9.646 0.946 1.00 0.00 C ATOM 228 O TRP A 21 3.396 -9.581 -0.182 1.00 0.00 O ATOM 229 CB TRP A 21 1.831 -9.774 2.373 1.00 0.00 C ATOM 230 CG TRP A 21 1.953 -11.269 2.347 1.00 0.00 C ATOM 231 CD1 TRP A 21 1.257 -12.135 1.555 1.00 0.00 C ATOM 232 CD2 TRP A 21 2.830 -12.073 3.147 1.00 0.00 C ATOM 233 NE1 TRP A 21 1.642 -13.427 1.815 1.00 0.00 N ATOM 234 CE2 TRP A 21 2.605 -13.416 2.787 1.00 0.00 C ATOM 235 CE3 TRP A 21 3.781 -11.790 4.132 1.00 0.00 C ATOM 236 CZ2 TRP A 21 3.298 -14.470 3.378 1.00 0.00 C ATOM 237 CZ3 TRP A 21 4.467 -12.838 4.716 1.00 0.00 C ATOM 238 CH2 TRP A 21 4.222 -14.163 4.337 1.00 0.00 C ATOM 0 H TRP A 21 1.951 -7.338 2.020 1.00 0.00 H new ATOM 0 HA TRP A 21 3.796 -9.175 3.024 1.00 0.00 H new ATOM 0 HB2 TRP A 21 1.417 -9.468 3.334 1.00 0.00 H new ATOM 0 HB3 TRP A 21 1.121 -9.462 1.607 1.00 0.00 H new ATOM 0 HD1 TRP A 21 0.511 -11.846 0.829 1.00 0.00 H new ATOM 0 HE1 TRP A 21 1.271 -14.260 1.358 1.00 0.00 H new ATOM 0 HE3 TRP A 21 3.976 -10.771 4.431 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 3.112 -15.494 3.089 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 5.204 -12.631 5.477 1.00 0.00 H new ATOM 0 HH2 TRP A 21 4.775 -14.960 4.813 1.00 0.00 H new ATOM 249 N ASP A 22 5.050 -10.229 1.203 1.00 0.00 N ATOM 250 CA ASP A 22 5.841 -10.857 0.153 1.00 0.00 C ATOM 251 C ASP A 22 5.558 -12.354 0.108 1.00 0.00 C ATOM 252 O ASP A 22 6.010 -13.105 0.974 1.00 0.00 O ATOM 253 CB ASP A 22 7.332 -10.610 0.391 1.00 0.00 C ATOM 254 CG ASP A 22 7.693 -9.139 0.330 1.00 0.00 C ATOM 255 OD1 ASP A 22 7.630 -8.469 1.382 1.00 0.00 O ATOM 256 OD2 ASP A 22 8.036 -8.657 -0.770 1.00 0.00 O ATOM 0 H ASP A 22 5.469 -10.279 2.132 1.00 0.00 H new ATOM 0 HA ASP A 22 5.563 -10.416 -0.804 1.00 0.00 H new ATOM 0 HB2 ASP A 22 7.612 -11.010 1.366 1.00 0.00 H new ATOM 0 HB3 ASP A 22 7.911 -11.154 -0.355 1.00 0.00 H new ATOM 261 N SER A 23 4.804 -12.780 -0.904 1.00 0.00 N ATOM 262 CA SER A 23 4.447 -14.187 -1.057 1.00 0.00 C ATOM 263 C SER A 23 5.573 -14.978 -1.718 1.00 0.00 C ATOM 264 O SER A 23 5.395 -16.141 -2.081 1.00 0.00 O ATOM 265 CB SER A 23 3.164 -14.324 -1.878 1.00 0.00 C ATOM 266 OG SER A 23 2.125 -13.525 -1.338 1.00 0.00 O ATOM 0 H SER A 23 4.429 -12.170 -1.630 1.00 0.00 H new ATOM 0 HA SER A 23 4.282 -14.597 -0.061 1.00 0.00 H new ATOM 0 HB2 SER A 23 3.355 -14.029 -2.910 1.00 0.00 H new ATOM 0 HB3 SER A 23 2.851 -15.368 -1.898 1.00 0.00 H new ATOM 0 HG SER A 23 2.158 -13.563 -0.359 1.00 0.00 H new ATOM 272 N ILE A 24 6.725 -14.342 -1.879 1.00 0.00 N ATOM 273 CA ILE A 24 7.877 -15.000 -2.482 1.00 0.00 C ATOM 274 C ILE A 24 8.901 -15.344 -1.410 1.00 0.00 C ATOM 275 O ILE A 24 9.466 -16.437 -1.399 1.00 0.00 O ATOM 276 CB ILE A 24 8.539 -14.118 -3.559 1.00 0.00 C ATOM 277 CG1 ILE A 24 7.515 -13.727 -4.627 1.00 0.00 C ATOM 278 CG2 ILE A 24 9.721 -14.846 -4.187 1.00 0.00 C ATOM 279 CD1 ILE A 24 8.048 -12.750 -5.653 1.00 0.00 C ATOM 0 H ILE A 24 6.887 -13.374 -1.602 1.00 0.00 H new ATOM 0 HA ILE A 24 7.521 -15.912 -2.961 1.00 0.00 H new ATOM 0 HB ILE A 24 8.909 -13.207 -3.088 1.00 0.00 H new ATOM 0 HG12 ILE A 24 7.175 -14.627 -5.138 1.00 0.00 H new ATOM 0 HG13 ILE A 24 6.644 -13.289 -4.139 1.00 0.00 H new ATOM 0 HG21 ILE A 24 10.178 -14.211 -4.946 1.00 0.00 H new ATOM 0 HG22 ILE A 24 10.456 -15.078 -3.417 1.00 0.00 H new ATOM 0 HG23 ILE A 24 9.375 -15.771 -4.649 1.00 0.00 H new ATOM 0 HD11 ILE A 24 7.266 -12.520 -6.377 1.00 0.00 H new ATOM 0 HD12 ILE A 24 8.362 -11.833 -5.154 1.00 0.00 H new ATOM 0 HD13 ILE A 24 8.901 -13.192 -6.168 1.00 0.00 H new ATOM 291 N ASP A 25 9.129 -14.396 -0.509 1.00 0.00 N ATOM 292 CA ASP A 25 10.061 -14.590 0.590 1.00 0.00 C ATOM 293 C ASP A 25 9.293 -14.848 1.878 1.00 0.00 C ATOM 294 O ASP A 25 9.885 -15.023 2.943 1.00 0.00 O ATOM 295 CB ASP A 25 10.961 -13.365 0.754 1.00 0.00 C ATOM 296 CG ASP A 25 11.927 -13.198 -0.402 1.00 0.00 C ATOM 297 OD1 ASP A 25 13.036 -13.770 -0.338 1.00 0.00 O ATOM 298 OD2 ASP A 25 11.576 -12.493 -1.372 1.00 0.00 O ATOM 0 H ASP A 25 8.678 -13.481 -0.520 1.00 0.00 H new ATOM 0 HA ASP A 25 10.689 -15.453 0.367 1.00 0.00 H new ATOM 0 HB2 ASP A 25 10.342 -12.472 0.839 1.00 0.00 H new ATOM 0 HB3 ASP A 25 11.523 -13.453 1.684 1.00 0.00 H new ATOM 303 N GLN A 26 7.966 -14.876 1.761 1.00 0.00 N ATOM 304 CA GLN A 26 7.095 -15.103 2.899 1.00 0.00 C ATOM 305 C GLN A 26 7.535 -14.269 4.094 1.00 0.00 C ATOM 306 O GLN A 26 7.876 -14.798 5.152 1.00 0.00 O ATOM 307 CB GLN A 26 7.062 -16.588 3.241 1.00 0.00 C ATOM 308 CG GLN A 26 5.999 -17.354 2.466 1.00 0.00 C ATOM 309 CD GLN A 26 5.907 -16.953 1.004 1.00 0.00 C ATOM 310 OE1 GLN A 26 6.916 -16.675 0.356 1.00 0.00 O ATOM 311 NE2 GLN A 26 4.687 -16.917 0.480 1.00 0.00 N ATOM 0 H GLN A 26 7.473 -14.742 0.878 1.00 0.00 H new ATOM 0 HA GLN A 26 6.085 -14.789 2.637 1.00 0.00 H new ATOM 0 HB2 GLN A 26 8.039 -17.024 3.035 1.00 0.00 H new ATOM 0 HB3 GLN A 26 6.880 -16.705 4.309 1.00 0.00 H new ATOM 0 HG2 GLN A 26 6.213 -18.421 2.529 1.00 0.00 H new ATOM 0 HG3 GLN A 26 5.030 -17.195 2.940 1.00 0.00 H new ATOM 0 HE21 GLN A 26 3.878 -17.155 1.054 1.00 0.00 H new ATOM 0 HE22 GLN A 26 4.559 -16.651 -0.496 1.00 0.00 H new ATOM 320 N LYS A 27 7.521 -12.952 3.905 1.00 0.00 N ATOM 321 CA LYS A 27 7.921 -12.018 4.951 1.00 0.00 C ATOM 322 C LYS A 27 7.597 -10.583 4.547 1.00 0.00 C ATOM 323 O LYS A 27 7.040 -10.343 3.476 1.00 0.00 O ATOM 324 CB LYS A 27 9.418 -12.160 5.244 1.00 0.00 C ATOM 325 CG LYS A 27 10.315 -11.721 4.098 1.00 0.00 C ATOM 326 CD LYS A 27 11.772 -12.053 4.378 1.00 0.00 C ATOM 327 CE LYS A 27 12.693 -11.485 3.311 1.00 0.00 C ATOM 328 NZ LYS A 27 12.678 -9.996 3.304 1.00 0.00 N ATOM 0 H LYS A 27 7.235 -12.507 3.033 1.00 0.00 H new ATOM 0 HA LYS A 27 7.360 -12.255 5.855 1.00 0.00 H new ATOM 0 HB2 LYS A 27 9.662 -11.572 6.129 1.00 0.00 H new ATOM 0 HB3 LYS A 27 9.634 -13.201 5.483 1.00 0.00 H new ATOM 0 HG2 LYS A 27 9.999 -12.211 3.177 1.00 0.00 H new ATOM 0 HG3 LYS A 27 10.208 -10.648 3.940 1.00 0.00 H new ATOM 0 HD2 LYS A 27 12.055 -11.655 5.352 1.00 0.00 H new ATOM 0 HD3 LYS A 27 11.896 -13.135 4.427 1.00 0.00 H new ATOM 0 HE2 LYS A 27 13.710 -11.838 3.483 1.00 0.00 H new ATOM 0 HE3 LYS A 27 12.388 -11.856 2.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 12.505 -9.655 2.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 11.923 -9.653 3.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 13.595 -9.638 3.638 1.00 0.00 H new ATOM 342 N TRP A 28 7.947 -9.631 5.409 1.00 0.00 N ATOM 343 CA TRP A 28 7.687 -8.222 5.134 1.00 0.00 C ATOM 344 C TRP A 28 8.965 -7.496 4.727 1.00 0.00 C ATOM 345 O TRP A 28 10.042 -7.761 5.263 1.00 0.00 O ATOM 346 CB TRP A 28 7.073 -7.541 6.358 1.00 0.00 C ATOM 347 CG TRP A 28 5.718 -8.070 6.711 1.00 0.00 C ATOM 348 CD1 TRP A 28 5.437 -9.094 7.570 1.00 0.00 C ATOM 349 CD2 TRP A 28 4.456 -7.605 6.214 1.00 0.00 C ATOM 350 NE1 TRP A 28 4.081 -9.294 7.638 1.00 0.00 N ATOM 351 CE2 TRP A 28 3.457 -8.394 6.815 1.00 0.00 C ATOM 352 CE3 TRP A 28 4.074 -6.598 5.321 1.00 0.00 C ATOM 353 CZ2 TRP A 28 2.103 -8.210 6.551 1.00 0.00 C ATOM 354 CZ3 TRP A 28 2.728 -6.416 5.061 1.00 0.00 C ATOM 355 CH2 TRP A 28 1.757 -7.219 5.674 1.00 0.00 C ATOM 0 H TRP A 28 8.410 -9.810 6.300 1.00 0.00 H new ATOM 0 HA TRP A 28 6.981 -8.171 4.305 1.00 0.00 H new ATOM 0 HB2 TRP A 28 7.740 -7.671 7.210 1.00 0.00 H new ATOM 0 HB3 TRP A 28 7.000 -6.470 6.171 1.00 0.00 H new ATOM 0 HD1 TRP A 28 6.174 -9.663 8.116 1.00 0.00 H new ATOM 0 HE1 TRP A 28 3.614 -9.998 8.209 1.00 0.00 H new ATOM 0 HE3 TRP A 28 4.816 -5.975 4.844 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 1.352 -8.828 7.022 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 2.420 -5.642 4.374 1.00 0.00 H new ATOM 0 HH2 TRP A 28 0.714 -7.052 5.449 1.00 0.00 H new ATOM 366 N THR A 29 8.834 -6.578 3.775 1.00 0.00 N ATOM 367 CA THR A 29 9.971 -5.806 3.293 1.00 0.00 C ATOM 368 C THR A 29 9.619 -4.325 3.192 1.00 0.00 C ATOM 369 O THR A 29 8.446 -3.953 3.228 1.00 0.00 O ATOM 370 CB THR A 29 10.447 -6.302 1.915 1.00 0.00 C ATOM 371 OG1 THR A 29 9.357 -6.292 0.988 1.00 0.00 O ATOM 372 CG2 THR A 29 11.019 -7.707 2.009 1.00 0.00 C ATOM 0 H THR A 29 7.949 -6.351 3.322 1.00 0.00 H new ATOM 0 HA THR A 29 10.776 -5.942 4.015 1.00 0.00 H new ATOM 0 HB THR A 29 11.231 -5.630 1.566 1.00 0.00 H new ATOM 0 HG1 THR A 29 9.073 -5.368 0.827 1.00 0.00 H new ATOM 0 HG21 THR A 29 11.348 -8.033 1.022 1.00 0.00 H new ATOM 0 HG22 THR A 29 11.868 -7.709 2.693 1.00 0.00 H new ATOM 0 HG23 THR A 29 10.253 -8.388 2.379 1.00 0.00 H new ATOM 380 N ARG A 30 10.641 -3.485 3.065 1.00 0.00 N ATOM 381 CA ARG A 30 10.438 -2.045 2.960 1.00 0.00 C ATOM 382 C ARG A 30 10.362 -1.612 1.500 1.00 0.00 C ATOM 383 O ARG A 30 11.274 -1.872 0.715 1.00 0.00 O ATOM 384 CB ARG A 30 11.570 -1.299 3.670 1.00 0.00 C ATOM 385 CG ARG A 30 11.395 0.211 3.675 1.00 0.00 C ATOM 386 CD ARG A 30 12.514 0.899 4.440 1.00 0.00 C ATOM 387 NE ARG A 30 12.568 0.472 5.835 1.00 0.00 N ATOM 388 CZ ARG A 30 13.346 1.040 6.752 1.00 0.00 C ATOM 389 NH1 ARG A 30 14.131 2.057 6.422 1.00 0.00 N ATOM 390 NH2 ARG A 30 13.337 0.594 8.000 1.00 0.00 N ATOM 0 H ARG A 30 11.618 -3.777 3.032 1.00 0.00 H new ATOM 0 HA ARG A 30 9.492 -1.798 3.441 1.00 0.00 H new ATOM 0 HB2 ARG A 30 11.637 -1.652 4.699 1.00 0.00 H new ATOM 0 HB3 ARG A 30 12.515 -1.545 3.186 1.00 0.00 H new ATOM 0 HG2 ARG A 30 11.374 0.579 2.649 1.00 0.00 H new ATOM 0 HG3 ARG A 30 10.435 0.466 4.125 1.00 0.00 H new ATOM 0 HD2 ARG A 30 13.468 0.684 3.958 1.00 0.00 H new ATOM 0 HD3 ARG A 30 12.372 1.979 4.397 1.00 0.00 H new ATOM 0 HE ARG A 30 11.975 -0.306 6.123 1.00 0.00 H new ATOM 0 HH11 ARG A 30 14.139 2.405 5.463 1.00 0.00 H new ATOM 0 HH12 ARG A 30 14.727 2.491 7.127 1.00 0.00 H new ATOM 0 HH21 ARG A 30 12.733 -0.186 8.258 1.00 0.00 H new ATOM 0 HH22 ARG A 30 13.934 1.031 8.702 1.00 0.00 H new ATOM 404 N HIS A 31 9.266 -0.948 1.141 1.00 0.00 N ATOM 405 CA HIS A 31 9.068 -0.478 -0.226 1.00 0.00 C ATOM 406 C HIS A 31 8.874 1.033 -0.260 1.00 0.00 C ATOM 407 O HIS A 31 8.289 1.613 0.655 1.00 0.00 O ATOM 408 CB HIS A 31 7.847 -1.152 -0.856 1.00 0.00 C ATOM 409 CG HIS A 31 7.814 -2.638 -0.695 1.00 0.00 C ATOM 410 ND1 HIS A 31 8.201 -3.513 -1.687 1.00 0.00 N ATOM 411 CD2 HIS A 31 7.414 -3.407 0.346 1.00 0.00 C ATOM 412 CE1 HIS A 31 8.039 -4.754 -1.266 1.00 0.00 C ATOM 413 NE2 HIS A 31 7.565 -4.717 -0.035 1.00 0.00 N ATOM 0 H HIS A 31 8.502 -0.724 1.778 1.00 0.00 H new ATOM 0 HA HIS A 31 9.961 -0.737 -0.795 1.00 0.00 H new ATOM 0 HB2 HIS A 31 6.945 -0.730 -0.413 1.00 0.00 H new ATOM 0 HB3 HIS A 31 7.822 -0.913 -1.919 1.00 0.00 H new ATOM 0 HD2 HIS A 31 7.045 -3.055 1.298 1.00 0.00 H new ATOM 0 HE1 HIS A 31 8.257 -5.647 -1.833 1.00 0.00 H new ATOM 0 HE2 HIS A 31 7.346 -5.530 0.540 1.00 0.00 H new ATOM 422 N TYR A 32 9.367 1.666 -1.319 1.00 0.00 N ATOM 423 CA TYR A 32 9.222 3.107 -1.478 1.00 0.00 C ATOM 424 C TYR A 32 7.952 3.410 -2.265 1.00 0.00 C ATOM 425 O TYR A 32 7.931 3.314 -3.492 1.00 0.00 O ATOM 426 CB TYR A 32 10.441 3.700 -2.188 1.00 0.00 C ATOM 427 CG TYR A 32 10.403 5.207 -2.302 1.00 0.00 C ATOM 428 CD1 TYR A 32 10.769 6.013 -1.232 1.00 0.00 C ATOM 429 CD2 TYR A 32 9.999 5.824 -3.480 1.00 0.00 C ATOM 430 CE1 TYR A 32 10.734 7.392 -1.332 1.00 0.00 C ATOM 431 CE2 TYR A 32 9.963 7.201 -3.588 1.00 0.00 C ATOM 432 CZ TYR A 32 10.331 7.980 -2.511 1.00 0.00 C ATOM 433 OH TYR A 32 10.295 9.352 -2.615 1.00 0.00 O ATOM 0 H TYR A 32 9.869 1.205 -2.078 1.00 0.00 H new ATOM 0 HA TYR A 32 9.151 3.563 -0.491 1.00 0.00 H new ATOM 0 HB2 TYR A 32 11.342 3.408 -1.649 1.00 0.00 H new ATOM 0 HB3 TYR A 32 10.513 3.270 -3.187 1.00 0.00 H new ATOM 0 HD1 TYR A 32 11.086 5.555 -0.307 1.00 0.00 H new ATOM 0 HD2 TYR A 32 9.708 5.217 -4.325 1.00 0.00 H new ATOM 0 HE1 TYR A 32 11.021 8.005 -0.490 1.00 0.00 H new ATOM 0 HE2 TYR A 32 9.648 7.665 -4.511 1.00 0.00 H new ATOM 0 HH TYR A 32 9.990 9.604 -3.511 1.00 0.00 H new ATOM 443 N CYS A 33 6.891 3.763 -1.546 1.00 0.00 N ATOM 444 CA CYS A 33 5.609 4.058 -2.171 1.00 0.00 C ATOM 445 C CYS A 33 5.450 5.548 -2.454 1.00 0.00 C ATOM 446 O CYS A 33 6.135 6.383 -1.865 1.00 0.00 O ATOM 447 CB CYS A 33 4.465 3.576 -1.277 1.00 0.00 C ATOM 448 SG CYS A 33 4.453 1.791 -0.992 1.00 0.00 S ATOM 0 H CYS A 33 6.895 3.851 -0.530 1.00 0.00 H new ATOM 0 HA CYS A 33 5.577 3.529 -3.124 1.00 0.00 H new ATOM 0 HB2 CYS A 33 4.530 4.086 -0.316 1.00 0.00 H new ATOM 0 HB3 CYS A 33 3.517 3.867 -1.729 1.00 0.00 H new ATOM 0 HG CYS A 33 3.269 1.422 -0.603 1.00 0.00 H new ATOM 454 N ALA A 34 4.535 5.863 -3.366 1.00 0.00 N ATOM 455 CA ALA A 34 4.260 7.243 -3.741 1.00 0.00 C ATOM 456 C ALA A 34 2.961 7.329 -4.534 1.00 0.00 C ATOM 457 O ALA A 34 2.862 6.801 -5.642 1.00 0.00 O ATOM 458 CB ALA A 34 5.416 7.821 -4.543 1.00 0.00 C ATOM 0 H ALA A 34 3.969 5.174 -3.861 1.00 0.00 H new ATOM 0 HA ALA A 34 4.149 7.832 -2.831 1.00 0.00 H new ATOM 0 HB1 ALA A 34 5.191 8.853 -4.814 1.00 0.00 H new ATOM 0 HB2 ALA A 34 6.325 7.793 -3.942 1.00 0.00 H new ATOM 0 HB3 ALA A 34 5.561 7.232 -5.448 1.00 0.00 H new ATOM 464 N ILE A 35 1.967 7.996 -3.959 1.00 0.00 N ATOM 465 CA ILE A 35 0.668 8.142 -4.602 1.00 0.00 C ATOM 466 C ILE A 35 0.629 9.373 -5.501 1.00 0.00 C ATOM 467 O ILE A 35 0.606 10.507 -5.021 1.00 0.00 O ATOM 468 CB ILE A 35 -0.464 8.236 -3.558 1.00 0.00 C ATOM 469 CG1 ILE A 35 -0.530 6.949 -2.733 1.00 0.00 C ATOM 470 CG2 ILE A 35 -1.799 8.506 -4.240 1.00 0.00 C ATOM 471 CD1 ILE A 35 -1.506 7.015 -1.577 1.00 0.00 C ATOM 0 H ILE A 35 2.037 8.445 -3.046 1.00 0.00 H new ATOM 0 HA ILE A 35 0.515 7.253 -5.214 1.00 0.00 H new ATOM 0 HB ILE A 35 -0.251 9.068 -2.886 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -0.810 6.123 -3.387 1.00 0.00 H new ATOM 0 HG13 ILE A 35 0.464 6.725 -2.345 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -2.586 8.569 -3.488 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -1.744 9.447 -4.788 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -2.024 7.695 -4.933 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -1.498 6.067 -1.039 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -1.215 7.819 -0.901 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -2.509 7.207 -1.958 1.00 0.00 H new ATOM 483 N ALA A 36 0.622 9.137 -6.809 1.00 0.00 N ATOM 484 CA ALA A 36 0.583 10.217 -7.786 1.00 0.00 C ATOM 485 C ALA A 36 -0.800 10.331 -8.417 1.00 0.00 C ATOM 486 O ALA A 36 -1.321 9.359 -8.963 1.00 0.00 O ATOM 487 CB ALA A 36 1.637 9.995 -8.859 1.00 0.00 C ATOM 0 H ALA A 36 0.643 8.203 -7.217 1.00 0.00 H new ATOM 0 HA ALA A 36 0.798 11.152 -7.269 1.00 0.00 H new ATOM 0 HB1 ALA A 36 1.597 10.809 -9.583 1.00 0.00 H new ATOM 0 HB2 ALA A 36 2.625 9.967 -8.399 1.00 0.00 H new ATOM 0 HB3 ALA A 36 1.446 9.049 -9.366 1.00 0.00 H new ATOM 493 N ASP A 37 -1.386 11.524 -8.339 1.00 0.00 N ATOM 494 CA ASP A 37 -2.712 11.773 -8.898 1.00 0.00 C ATOM 495 C ASP A 37 -3.772 10.925 -8.199 1.00 0.00 C ATOM 496 O ASP A 37 -4.426 11.386 -7.262 1.00 0.00 O ATOM 497 CB ASP A 37 -2.724 11.495 -10.405 1.00 0.00 C ATOM 498 CG ASP A 37 -4.077 11.763 -11.031 1.00 0.00 C ATOM 499 OD1 ASP A 37 -4.315 12.909 -11.466 1.00 0.00 O ATOM 500 OD2 ASP A 37 -4.902 10.826 -11.089 1.00 0.00 O ATOM 0 H ASP A 37 -0.961 12.336 -7.892 1.00 0.00 H new ATOM 0 HA ASP A 37 -2.950 12.824 -8.733 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -1.972 12.116 -10.892 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -2.444 10.457 -10.582 1.00 0.00 H new ATOM 505 N ALA A 38 -3.937 9.687 -8.654 1.00 0.00 N ATOM 506 CA ALA A 38 -4.919 8.782 -8.065 1.00 0.00 C ATOM 507 C ALA A 38 -4.421 7.338 -8.071 1.00 0.00 C ATOM 508 O ALA A 38 -5.162 6.418 -7.726 1.00 0.00 O ATOM 509 CB ALA A 38 -6.244 8.887 -8.802 1.00 0.00 C ATOM 0 H ALA A 38 -3.405 9.288 -9.427 1.00 0.00 H new ATOM 0 HA ALA A 38 -5.067 9.080 -7.027 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -6.966 8.206 -8.351 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -6.618 9.909 -8.735 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -6.100 8.621 -9.849 1.00 0.00 H new ATOM 515 N LYS A 39 -3.167 7.147 -8.471 1.00 0.00 N ATOM 516 CA LYS A 39 -2.571 5.817 -8.514 1.00 0.00 C ATOM 517 C LYS A 39 -1.406 5.703 -7.539 1.00 0.00 C ATOM 518 O LYS A 39 -0.676 6.668 -7.313 1.00 0.00 O ATOM 519 CB LYS A 39 -2.092 5.499 -9.931 1.00 0.00 C ATOM 520 CG LYS A 39 -3.229 5.255 -10.907 1.00 0.00 C ATOM 521 CD LYS A 39 -2.717 4.836 -12.274 1.00 0.00 C ATOM 522 CE LYS A 39 -3.819 4.886 -13.318 1.00 0.00 C ATOM 523 NZ LYS A 39 -4.931 3.948 -13.001 1.00 0.00 N ATOM 0 H LYS A 39 -2.544 7.897 -8.770 1.00 0.00 H new ATOM 0 HA LYS A 39 -3.336 5.098 -8.220 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -1.481 6.325 -10.295 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -1.452 4.617 -9.902 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -3.887 4.481 -10.512 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -3.826 6.162 -11.004 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -1.899 5.491 -12.574 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -2.312 3.826 -12.218 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -4.209 5.902 -13.385 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -3.404 4.639 -14.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -5.692 4.062 -13.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -4.579 2.970 -13.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -5.300 4.156 -12.051 1.00 0.00 H new ATOM 537 N LEU A 40 -1.241 4.518 -6.963 1.00 0.00 N ATOM 538 CA LEU A 40 -0.158 4.270 -6.019 1.00 0.00 C ATOM 539 C LEU A 40 0.905 3.386 -6.659 1.00 0.00 C ATOM 540 O LEU A 40 0.648 2.230 -6.981 1.00 0.00 O ATOM 541 CB LEU A 40 -0.705 3.604 -4.753 1.00 0.00 C ATOM 542 CG LEU A 40 0.341 2.905 -3.880 1.00 0.00 C ATOM 543 CD1 LEU A 40 1.358 3.907 -3.354 1.00 0.00 C ATOM 544 CD2 LEU A 40 -0.330 2.169 -2.731 1.00 0.00 C ATOM 0 H LEU A 40 -1.844 3.713 -7.133 1.00 0.00 H new ATOM 0 HA LEU A 40 0.296 5.223 -5.747 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -1.209 4.361 -4.152 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.460 2.873 -5.043 1.00 0.00 H new ATOM 0 HG LEU A 40 0.868 2.175 -4.494 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.092 3.390 -2.736 1.00 0.00 H new ATOM 0 HD12 LEU A 40 1.863 4.387 -4.192 1.00 0.00 H new ATOM 0 HD13 LEU A 40 0.849 4.663 -2.756 1.00 0.00 H new ATOM 0 HD21 LEU A 40 0.428 1.678 -2.121 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -0.885 2.880 -2.118 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.016 1.421 -3.129 1.00 0.00 H new ATOM 556 N SER A 41 2.107 3.925 -6.818 1.00 0.00 N ATOM 557 CA SER A 41 3.195 3.176 -7.434 1.00 0.00 C ATOM 558 C SER A 41 4.215 2.728 -6.393 1.00 0.00 C ATOM 559 O SER A 41 4.842 3.552 -5.728 1.00 0.00 O ATOM 560 CB SER A 41 3.878 4.025 -8.506 1.00 0.00 C ATOM 561 OG SER A 41 2.925 4.727 -9.284 1.00 0.00 O ATOM 0 H SER A 41 2.353 4.872 -6.531 1.00 0.00 H new ATOM 0 HA SER A 41 2.771 2.286 -7.898 1.00 0.00 H new ATOM 0 HB2 SER A 41 4.559 4.733 -8.034 1.00 0.00 H new ATOM 0 HB3 SER A 41 4.480 3.386 -9.152 1.00 0.00 H new ATOM 0 HG SER A 41 3.387 5.264 -9.961 1.00 0.00 H new ATOM 567 N PHE A 42 4.373 1.414 -6.259 1.00 0.00 N ATOM 568 CA PHE A 42 5.320 0.853 -5.303 1.00 0.00 C ATOM 569 C PHE A 42 6.568 0.340 -6.015 1.00 0.00 C ATOM 570 O PHE A 42 6.478 -0.391 -7.001 1.00 0.00 O ATOM 571 CB PHE A 42 4.664 -0.275 -4.499 1.00 0.00 C ATOM 572 CG PHE A 42 3.903 -1.262 -5.340 1.00 0.00 C ATOM 573 CD1 PHE A 42 4.543 -2.361 -5.891 1.00 0.00 C ATOM 574 CD2 PHE A 42 2.547 -1.093 -5.576 1.00 0.00 C ATOM 575 CE1 PHE A 42 3.846 -3.271 -6.664 1.00 0.00 C ATOM 576 CE2 PHE A 42 1.846 -2.001 -6.347 1.00 0.00 C ATOM 577 CZ PHE A 42 2.496 -3.091 -6.891 1.00 0.00 C ATOM 0 H PHE A 42 3.858 0.720 -6.800 1.00 0.00 H new ATOM 0 HA PHE A 42 5.619 1.644 -4.615 1.00 0.00 H new ATOM 0 HB2 PHE A 42 5.436 -0.807 -3.942 1.00 0.00 H new ATOM 0 HB3 PHE A 42 3.986 0.162 -3.766 1.00 0.00 H new ATOM 0 HD1 PHE A 42 5.598 -2.508 -5.714 1.00 0.00 H new ATOM 0 HD2 PHE A 42 2.033 -0.243 -5.153 1.00 0.00 H new ATOM 0 HE1 PHE A 42 4.357 -4.122 -7.090 1.00 0.00 H new ATOM 0 HE2 PHE A 42 0.790 -1.858 -6.524 1.00 0.00 H new ATOM 0 HZ PHE A 42 1.949 -3.802 -7.493 1.00 0.00 H new ATOM 587 N SER A 43 7.735 0.734 -5.511 1.00 0.00 N ATOM 588 CA SER A 43 9.002 0.317 -6.105 1.00 0.00 C ATOM 589 C SER A 43 9.572 -0.905 -5.391 1.00 0.00 C ATOM 590 O SER A 43 9.005 -1.384 -4.409 1.00 0.00 O ATOM 591 CB SER A 43 10.013 1.464 -6.056 1.00 0.00 C ATOM 592 OG SER A 43 10.322 1.814 -4.719 1.00 0.00 O ATOM 0 H SER A 43 7.829 1.339 -4.696 1.00 0.00 H new ATOM 0 HA SER A 43 8.811 0.048 -7.144 1.00 0.00 H new ATOM 0 HB2 SER A 43 10.924 1.173 -6.579 1.00 0.00 H new ATOM 0 HB3 SER A 43 9.609 2.331 -6.578 1.00 0.00 H new ATOM 0 HG SER A 43 11.295 1.846 -4.606 1.00 0.00 H new ATOM 598 N ASP A 44 10.699 -1.401 -5.894 1.00 0.00 N ATOM 599 CA ASP A 44 11.353 -2.568 -5.311 1.00 0.00 C ATOM 600 C ASP A 44 11.978 -2.219 -3.963 1.00 0.00 C ATOM 601 O ASP A 44 12.132 -1.045 -3.626 1.00 0.00 O ATOM 602 CB ASP A 44 12.427 -3.101 -6.262 1.00 0.00 C ATOM 603 CG ASP A 44 13.081 -4.369 -5.749 1.00 0.00 C ATOM 604 OD1 ASP A 44 12.543 -5.465 -6.017 1.00 0.00 O ATOM 605 OD2 ASP A 44 14.131 -4.267 -5.081 1.00 0.00 O ATOM 0 H ASP A 44 11.179 -1.012 -6.706 1.00 0.00 H new ATOM 0 HA ASP A 44 10.600 -3.340 -5.155 1.00 0.00 H new ATOM 0 HB2 ASP A 44 11.980 -3.296 -7.237 1.00 0.00 H new ATOM 0 HB3 ASP A 44 13.190 -2.336 -6.408 1.00 0.00 H new ATOM 610 N ASP A 45 12.333 -3.247 -3.195 1.00 0.00 N ATOM 611 CA ASP A 45 12.945 -3.049 -1.885 1.00 0.00 C ATOM 612 C ASP A 45 14.164 -2.138 -1.988 1.00 0.00 C ATOM 613 O ASP A 45 14.850 -2.116 -3.009 1.00 0.00 O ATOM 614 CB ASP A 45 13.351 -4.395 -1.283 1.00 0.00 C ATOM 615 CG ASP A 45 12.223 -5.407 -1.326 1.00 0.00 C ATOM 616 OD1 ASP A 45 11.154 -5.129 -0.744 1.00 0.00 O ATOM 617 OD2 ASP A 45 12.408 -6.477 -1.944 1.00 0.00 O ATOM 0 H ASP A 45 12.207 -4.224 -3.458 1.00 0.00 H new ATOM 0 HA ASP A 45 12.211 -2.573 -1.235 1.00 0.00 H new ATOM 0 HB2 ASP A 45 14.211 -4.789 -1.825 1.00 0.00 H new ATOM 0 HB3 ASP A 45 13.666 -4.248 -0.250 1.00 0.00 H new ATOM 622 N ILE A 46 14.428 -1.387 -0.923 1.00 0.00 N ATOM 623 CA ILE A 46 15.562 -0.470 -0.897 1.00 0.00 C ATOM 624 C ILE A 46 16.641 -0.949 0.069 1.00 0.00 C ATOM 625 O ILE A 46 17.658 -0.282 0.257 1.00 0.00 O ATOM 626 CB ILE A 46 15.123 0.951 -0.496 1.00 0.00 C ATOM 627 CG1 ILE A 46 14.509 0.945 0.906 1.00 0.00 C ATOM 628 CG2 ILE A 46 14.135 1.504 -1.513 1.00 0.00 C ATOM 629 CD1 ILE A 46 14.166 2.325 1.426 1.00 0.00 C ATOM 0 H ILE A 46 13.873 -1.396 -0.068 1.00 0.00 H new ATOM 0 HA ILE A 46 15.971 -0.447 -1.907 1.00 0.00 H new ATOM 0 HB ILE A 46 16.001 1.597 -0.482 1.00 0.00 H new ATOM 0 HG12 ILE A 46 13.605 0.336 0.895 1.00 0.00 H new ATOM 0 HG13 ILE A 46 15.206 0.469 1.596 1.00 0.00 H new ATOM 0 HG21 ILE A 46 13.833 2.509 -1.218 1.00 0.00 H new ATOM 0 HG22 ILE A 46 14.606 1.541 -2.495 1.00 0.00 H new ATOM 0 HG23 ILE A 46 13.257 0.859 -1.556 1.00 0.00 H new ATOM 0 HD11 ILE A 46 13.736 2.241 2.424 1.00 0.00 H new ATOM 0 HD12 ILE A 46 15.070 2.932 1.471 1.00 0.00 H new ATOM 0 HD13 ILE A 46 13.445 2.797 0.758 1.00 0.00 H new ATOM 641 N GLU A 47 16.413 -2.108 0.678 1.00 0.00 N ATOM 642 CA GLU A 47 17.368 -2.674 1.625 1.00 0.00 C ATOM 643 C GLU A 47 17.095 -4.157 1.859 1.00 0.00 C ATOM 644 O GLU A 47 18.021 -4.942 2.071 1.00 0.00 O ATOM 645 CB GLU A 47 17.311 -1.916 2.953 1.00 0.00 C ATOM 646 CG GLU A 47 15.938 -1.926 3.602 1.00 0.00 C ATOM 647 CD GLU A 47 15.905 -1.161 4.910 1.00 0.00 C ATOM 648 OE1 GLU A 47 16.163 -1.777 5.966 1.00 0.00 O ATOM 649 OE2 GLU A 47 15.620 0.055 4.880 1.00 0.00 O ATOM 0 H GLU A 47 15.576 -2.673 0.533 1.00 0.00 H new ATOM 0 HA GLU A 47 18.366 -2.572 1.198 1.00 0.00 H new ATOM 0 HB2 GLU A 47 18.033 -2.354 3.643 1.00 0.00 H new ATOM 0 HB3 GLU A 47 17.617 -0.883 2.785 1.00 0.00 H new ATOM 0 HG2 GLU A 47 15.212 -1.493 2.914 1.00 0.00 H new ATOM 0 HG3 GLU A 47 15.632 -2.957 3.781 1.00 0.00 H new ATOM 656 N GLN A 48 15.821 -4.534 1.820 1.00 0.00 N ATOM 657 CA GLN A 48 15.426 -5.922 2.028 1.00 0.00 C ATOM 658 C GLN A 48 15.483 -6.707 0.721 1.00 0.00 C ATOM 659 O GLN A 48 14.868 -7.766 0.595 1.00 0.00 O ATOM 660 CB GLN A 48 14.016 -5.987 2.616 1.00 0.00 C ATOM 661 CG GLN A 48 13.878 -5.274 3.951 1.00 0.00 C ATOM 662 CD GLN A 48 14.776 -5.862 5.022 1.00 0.00 C ATOM 663 OE1 GLN A 48 15.078 -7.055 5.010 1.00 0.00 O ATOM 664 NE2 GLN A 48 15.206 -5.023 5.958 1.00 0.00 N ATOM 0 H GLN A 48 15.044 -3.897 1.646 1.00 0.00 H new ATOM 0 HA GLN A 48 16.127 -6.373 2.730 1.00 0.00 H new ATOM 0 HB2 GLN A 48 13.315 -5.549 1.906 1.00 0.00 H new ATOM 0 HB3 GLN A 48 13.732 -7.032 2.741 1.00 0.00 H new ATOM 0 HG2 GLN A 48 14.117 -4.218 3.821 1.00 0.00 H new ATOM 0 HG3 GLN A 48 12.841 -5.328 4.282 1.00 0.00 H new ATOM 0 HE21 GLN A 48 14.930 -4.041 5.929 1.00 0.00 H new ATOM 0 HE22 GLN A 48 15.812 -5.360 6.706 1.00 0.00 H new ATOM 673 N THR A 49 16.229 -6.181 -0.247 1.00 0.00 N ATOM 674 CA THR A 49 16.368 -6.831 -1.546 1.00 0.00 C ATOM 675 C THR A 49 16.899 -8.253 -1.398 1.00 0.00 C ATOM 676 O THR A 49 17.994 -8.467 -0.877 1.00 0.00 O ATOM 677 CB THR A 49 17.311 -6.040 -2.471 1.00 0.00 C ATOM 678 OG1 THR A 49 18.606 -5.927 -1.872 1.00 0.00 O ATOM 679 CG2 THR A 49 16.755 -4.652 -2.752 1.00 0.00 C ATOM 0 H THR A 49 16.746 -5.307 -0.156 1.00 0.00 H new ATOM 0 HA THR A 49 15.373 -6.862 -1.990 1.00 0.00 H new ATOM 0 HB THR A 49 17.394 -6.580 -3.414 1.00 0.00 H new ATOM 0 HG1 THR A 49 18.786 -6.723 -1.330 1.00 0.00 H new ATOM 0 HG21 THR A 49 17.438 -4.112 -3.407 1.00 0.00 H new ATOM 0 HG22 THR A 49 15.782 -4.741 -3.236 1.00 0.00 H new ATOM 0 HG23 THR A 49 16.645 -4.107 -1.814 1.00 0.00 H new ATOM 687 N MET A 50 16.114 -9.222 -1.858 1.00 0.00 N ATOM 688 CA MET A 50 16.502 -10.626 -1.778 1.00 0.00 C ATOM 689 C MET A 50 17.013 -11.125 -3.126 1.00 0.00 C ATOM 690 O MET A 50 17.129 -12.330 -3.349 1.00 0.00 O ATOM 691 CB MET A 50 15.316 -11.478 -1.321 1.00 0.00 C ATOM 692 CG MET A 50 14.786 -11.096 0.051 1.00 0.00 C ATOM 693 SD MET A 50 16.026 -11.263 1.349 1.00 0.00 S ATOM 694 CE MET A 50 16.378 -13.017 1.260 1.00 0.00 C ATOM 0 H MET A 50 15.204 -9.061 -2.290 1.00 0.00 H new ATOM 0 HA MET A 50 17.307 -10.716 -1.049 1.00 0.00 H new ATOM 0 HB2 MET A 50 14.511 -11.387 -2.051 1.00 0.00 H new ATOM 0 HB3 MET A 50 15.616 -12.526 -1.307 1.00 0.00 H new ATOM 0 HG2 MET A 50 14.431 -10.066 0.024 1.00 0.00 H new ATOM 0 HG3 MET A 50 13.928 -11.723 0.292 1.00 0.00 H new ATOM 0 HE1 MET A 50 16.851 -13.341 2.187 1.00 0.00 H new ATOM 0 HE2 MET A 50 15.449 -13.568 1.116 1.00 0.00 H new ATOM 0 HE3 MET A 50 17.049 -13.211 0.423 1.00 0.00 H new ATOM 704 N GLU A 51 17.319 -10.188 -4.020 1.00 0.00 N ATOM 705 CA GLU A 51 17.818 -10.530 -5.348 1.00 0.00 C ATOM 706 C GLU A 51 19.101 -11.348 -5.259 1.00 0.00 C ATOM 707 O GLU A 51 19.989 -11.044 -4.461 1.00 0.00 O ATOM 708 CB GLU A 51 18.070 -9.259 -6.162 1.00 0.00 C ATOM 709 CG GLU A 51 16.816 -8.445 -6.426 1.00 0.00 C ATOM 710 CD GLU A 51 17.104 -7.157 -7.175 1.00 0.00 C ATOM 711 OE1 GLU A 51 17.084 -7.180 -8.423 1.00 0.00 O ATOM 712 OE2 GLU A 51 17.347 -6.127 -6.512 1.00 0.00 O ATOM 0 H GLU A 51 17.230 -9.186 -3.848 1.00 0.00 H new ATOM 0 HA GLU A 51 17.059 -11.133 -5.846 1.00 0.00 H new ATOM 0 HB2 GLU A 51 18.792 -8.637 -5.633 1.00 0.00 H new ATOM 0 HB3 GLU A 51 18.523 -9.532 -7.115 1.00 0.00 H new ATOM 0 HG2 GLU A 51 16.112 -9.046 -7.001 1.00 0.00 H new ATOM 0 HG3 GLU A 51 16.334 -8.209 -5.477 1.00 0.00 H new ATOM 719 N GLU A 52 19.193 -12.388 -6.082 1.00 0.00 N ATOM 720 CA GLU A 52 20.370 -13.247 -6.101 1.00 0.00 C ATOM 721 C GLU A 52 21.578 -12.482 -6.629 1.00 0.00 C ATOM 722 O GLU A 52 22.536 -12.229 -5.898 1.00 0.00 O ATOM 723 CB GLU A 52 20.113 -14.479 -6.969 1.00 0.00 C ATOM 724 CG GLU A 52 21.266 -15.470 -6.979 1.00 0.00 C ATOM 725 CD GLU A 52 21.571 -16.026 -5.602 1.00 0.00 C ATOM 726 OE1 GLU A 52 20.976 -17.061 -5.236 1.00 0.00 O ATOM 727 OE2 GLU A 52 22.403 -15.426 -4.890 1.00 0.00 O ATOM 0 H GLU A 52 18.465 -12.656 -6.745 1.00 0.00 H new ATOM 0 HA GLU A 52 20.577 -13.570 -5.081 1.00 0.00 H new ATOM 0 HB2 GLU A 52 19.215 -14.983 -6.612 1.00 0.00 H new ATOM 0 HB3 GLU A 52 19.913 -14.157 -7.991 1.00 0.00 H new ATOM 0 HG2 GLU A 52 21.027 -16.292 -7.654 1.00 0.00 H new ATOM 0 HG3 GLU A 52 22.156 -14.981 -7.375 1.00 0.00 H new ATOM 734 N ASP A 53 21.521 -12.117 -7.903 1.00 0.00 N ATOM 735 CA ASP A 53 22.601 -11.373 -8.540 1.00 0.00 C ATOM 736 C ASP A 53 22.130 -9.975 -8.927 1.00 0.00 C ATOM 737 O ASP A 53 22.760 -9.297 -9.738 1.00 0.00 O ATOM 738 CB ASP A 53 23.104 -12.117 -9.777 1.00 0.00 C ATOM 739 CG ASP A 53 22.014 -12.322 -10.812 1.00 0.00 C ATOM 740 OD1 ASP A 53 21.842 -11.437 -11.675 1.00 0.00 O ATOM 741 OD2 ASP A 53 21.333 -13.368 -10.758 1.00 0.00 O ATOM 0 H ASP A 53 20.735 -12.325 -8.519 1.00 0.00 H new ATOM 0 HA ASP A 53 23.421 -11.282 -7.828 1.00 0.00 H new ATOM 0 HB2 ASP A 53 23.926 -11.558 -10.225 1.00 0.00 H new ATOM 0 HB3 ASP A 53 23.504 -13.086 -9.477 1.00 0.00 H new ATOM 746 N ASN A 54 21.016 -9.555 -8.333 1.00 0.00 N ATOM 747 CA ASN A 54 20.440 -8.242 -8.608 1.00 0.00 C ATOM 748 C ASN A 54 20.170 -8.067 -10.103 1.00 0.00 C ATOM 749 O ASN A 54 20.725 -7.172 -10.741 1.00 0.00 O ATOM 750 CB ASN A 54 21.370 -7.134 -8.108 1.00 0.00 C ATOM 751 CG ASN A 54 21.737 -7.301 -6.648 1.00 0.00 C ATOM 752 OD1 ASN A 54 20.960 -7.839 -5.857 1.00 0.00 O ATOM 753 ND2 ASN A 54 22.926 -6.840 -6.280 1.00 0.00 N ATOM 0 H ASN A 54 20.492 -10.108 -7.655 1.00 0.00 H new ATOM 0 HA ASN A 54 19.491 -8.172 -8.076 1.00 0.00 H new ATOM 0 HB2 ASN A 54 22.279 -7.128 -8.710 1.00 0.00 H new ATOM 0 HB3 ASN A 54 20.887 -6.167 -8.250 1.00 0.00 H new ATOM 0 HD21 ASN A 54 23.228 -6.924 -5.309 1.00 0.00 H new ATOM 0 HD22 ASN A 54 23.538 -6.401 -6.968 1.00 0.00 H new ATOM 760 N PRO A 55 19.311 -8.928 -10.680 1.00 0.00 N ATOM 761 CA PRO A 55 18.968 -8.871 -12.095 1.00 0.00 C ATOM 762 C PRO A 55 17.787 -7.945 -12.370 1.00 0.00 C ATOM 763 O PRO A 55 16.676 -8.187 -11.898 1.00 0.00 O ATOM 764 CB PRO A 55 18.603 -10.320 -12.405 1.00 0.00 C ATOM 765 CG PRO A 55 18.043 -10.862 -11.128 1.00 0.00 C ATOM 766 CD PRO A 55 18.608 -10.029 -9.999 1.00 0.00 C ATOM 0 HA PRO A 55 19.778 -8.474 -12.707 1.00 0.00 H new ATOM 0 HB2 PRO A 55 17.873 -10.379 -13.212 1.00 0.00 H new ATOM 0 HB3 PRO A 55 19.477 -10.887 -12.724 1.00 0.00 H new ATOM 0 HG2 PRO A 55 16.954 -10.812 -11.134 1.00 0.00 H new ATOM 0 HG3 PRO A 55 18.314 -11.911 -11.004 1.00 0.00 H new ATOM 0 HD2 PRO A 55 17.819 -9.655 -9.347 1.00 0.00 H new ATOM 0 HD3 PRO A 55 19.288 -10.611 -9.376 1.00 0.00 H new ATOM 774 N LEU A 56 18.039 -6.885 -13.136 1.00 0.00 N ATOM 775 CA LEU A 56 17.002 -5.917 -13.477 1.00 0.00 C ATOM 776 C LEU A 56 16.393 -5.301 -12.220 1.00 0.00 C ATOM 777 O LEU A 56 15.515 -5.889 -11.589 1.00 0.00 O ATOM 778 CB LEU A 56 15.909 -6.580 -14.318 1.00 0.00 C ATOM 779 CG LEU A 56 14.796 -5.642 -14.788 1.00 0.00 C ATOM 780 CD1 LEU A 56 15.334 -4.637 -15.795 1.00 0.00 C ATOM 781 CD2 LEU A 56 13.645 -6.438 -15.385 1.00 0.00 C ATOM 0 H LEU A 56 18.955 -6.676 -13.532 1.00 0.00 H new ATOM 0 HA LEU A 56 17.464 -5.121 -14.060 1.00 0.00 H new ATOM 0 HB2 LEU A 56 16.372 -7.037 -15.193 1.00 0.00 H new ATOM 0 HB3 LEU A 56 15.462 -7.386 -13.736 1.00 0.00 H new ATOM 0 HG LEU A 56 14.421 -5.092 -13.925 1.00 0.00 H new ATOM 0 HD11 LEU A 56 14.528 -3.978 -16.118 1.00 0.00 H new ATOM 0 HD12 LEU A 56 16.123 -4.045 -15.332 1.00 0.00 H new ATOM 0 HD13 LEU A 56 15.737 -5.167 -16.658 1.00 0.00 H new ATOM 0 HD21 LEU A 56 12.862 -5.755 -15.714 1.00 0.00 H new ATOM 0 HD22 LEU A 56 14.005 -7.015 -16.237 1.00 0.00 H new ATOM 0 HD23 LEU A 56 13.242 -7.116 -14.632 1.00 0.00 H new ATOM 793 N GLY A 57 16.869 -4.111 -11.862 1.00 0.00 N ATOM 794 CA GLY A 57 16.363 -3.434 -10.682 1.00 0.00 C ATOM 795 C GLY A 57 15.162 -2.559 -10.984 1.00 0.00 C ATOM 796 O GLY A 57 14.052 -2.842 -10.532 1.00 0.00 O ATOM 0 H GLY A 57 17.595 -3.605 -12.368 1.00 0.00 H new ATOM 0 HA2 GLY A 57 16.089 -4.175 -9.932 1.00 0.00 H new ATOM 0 HA3 GLY A 57 17.155 -2.822 -10.251 1.00 0.00 H new ATOM 800 N SER A 58 15.388 -1.493 -11.748 1.00 0.00 N ATOM 801 CA SER A 58 14.319 -0.566 -12.115 1.00 0.00 C ATOM 802 C SER A 58 13.705 0.079 -10.875 1.00 0.00 C ATOM 803 O SER A 58 14.073 -0.245 -9.746 1.00 0.00 O ATOM 804 CB SER A 58 13.238 -1.290 -12.922 1.00 0.00 C ATOM 805 OG SER A 58 12.225 -0.393 -13.341 1.00 0.00 O ATOM 0 H SER A 58 16.303 -1.249 -12.126 1.00 0.00 H new ATOM 0 HA SER A 58 14.753 0.221 -12.732 1.00 0.00 H new ATOM 0 HB2 SER A 58 13.688 -1.767 -13.793 1.00 0.00 H new ATOM 0 HB3 SER A 58 12.798 -2.083 -12.317 1.00 0.00 H new ATOM 0 HG SER A 58 11.548 -0.881 -13.856 1.00 0.00 H new ATOM 811 N LEU A 59 12.767 0.996 -11.094 1.00 0.00 N ATOM 812 CA LEU A 59 12.101 1.686 -9.995 1.00 0.00 C ATOM 813 C LEU A 59 10.658 1.211 -9.857 1.00 0.00 C ATOM 814 O LEU A 59 10.331 0.449 -8.947 1.00 0.00 O ATOM 815 CB LEU A 59 12.143 3.204 -10.225 1.00 0.00 C ATOM 816 CG LEU A 59 11.842 4.081 -8.999 1.00 0.00 C ATOM 817 CD1 LEU A 59 10.370 4.004 -8.621 1.00 0.00 C ATOM 818 CD2 LEU A 59 12.717 3.679 -7.820 1.00 0.00 C ATOM 0 H LEU A 59 12.451 1.278 -12.022 1.00 0.00 H new ATOM 0 HA LEU A 59 12.627 1.454 -9.069 1.00 0.00 H new ATOM 0 HB2 LEU A 59 13.132 3.467 -10.601 1.00 0.00 H new ATOM 0 HB3 LEU A 59 11.427 3.452 -11.009 1.00 0.00 H new ATOM 0 HG LEU A 59 12.071 5.114 -9.262 1.00 0.00 H new ATOM 0 HD11 LEU A 59 10.184 4.634 -7.751 1.00 0.00 H new ATOM 0 HD12 LEU A 59 9.761 4.351 -9.456 1.00 0.00 H new ATOM 0 HD13 LEU A 59 10.108 2.973 -8.385 1.00 0.00 H new ATOM 0 HD21 LEU A 59 12.487 4.313 -6.963 1.00 0.00 H new ATOM 0 HD22 LEU A 59 12.525 2.637 -7.563 1.00 0.00 H new ATOM 0 HD23 LEU A 59 13.767 3.799 -8.088 1.00 0.00 H new ATOM 830 N CYS A 60 9.800 1.662 -10.766 1.00 0.00 N ATOM 831 CA CYS A 60 8.391 1.284 -10.743 1.00 0.00 C ATOM 832 C CYS A 60 8.221 -0.215 -10.969 1.00 0.00 C ATOM 833 O CYS A 60 8.379 -0.709 -12.087 1.00 0.00 O ATOM 834 CB CYS A 60 7.615 2.067 -11.805 1.00 0.00 C ATOM 835 SG CYS A 60 8.281 1.906 -13.480 1.00 0.00 S ATOM 0 H CYS A 60 10.055 2.290 -11.528 1.00 0.00 H new ATOM 0 HA CYS A 60 7.992 1.527 -9.758 1.00 0.00 H new ATOM 0 HB2 CYS A 60 6.579 1.729 -11.804 1.00 0.00 H new ATOM 0 HB3 CYS A 60 7.607 3.121 -11.529 1.00 0.00 H new ATOM 0 HG CYS A 60 8.632 0.672 -13.691 1.00 0.00 H new ATOM 841 N ARG A 61 7.902 -0.936 -9.899 1.00 0.00 N ATOM 842 CA ARG A 61 7.704 -2.379 -9.978 1.00 0.00 C ATOM 843 C ARG A 61 6.233 -2.710 -10.202 1.00 0.00 C ATOM 844 O ARG A 61 5.894 -3.793 -10.678 1.00 0.00 O ATOM 845 CB ARG A 61 8.202 -3.056 -8.698 1.00 0.00 C ATOM 846 CG ARG A 61 9.695 -2.900 -8.461 1.00 0.00 C ATOM 847 CD ARG A 61 10.511 -3.792 -9.386 1.00 0.00 C ATOM 848 NE ARG A 61 10.456 -3.344 -10.774 1.00 0.00 N ATOM 849 CZ ARG A 61 10.988 -4.021 -11.789 1.00 0.00 C ATOM 850 NH1 ARG A 61 11.610 -5.170 -11.569 1.00 0.00 N ATOM 851 NH2 ARG A 61 10.896 -3.547 -13.024 1.00 0.00 N ATOM 0 H ARG A 61 7.775 -0.544 -8.966 1.00 0.00 H new ATOM 0 HA ARG A 61 8.278 -2.755 -10.825 1.00 0.00 H new ATOM 0 HB2 ARG A 61 7.663 -2.641 -7.846 1.00 0.00 H new ATOM 0 HB3 ARG A 61 7.960 -4.118 -8.742 1.00 0.00 H new ATOM 0 HG2 ARG A 61 9.981 -1.859 -8.615 1.00 0.00 H new ATOM 0 HG3 ARG A 61 9.926 -3.144 -7.424 1.00 0.00 H new ATOM 0 HD2 ARG A 61 11.548 -3.807 -9.052 1.00 0.00 H new ATOM 0 HD3 ARG A 61 10.141 -4.815 -9.321 1.00 0.00 H new ATOM 0 HE ARG A 61 9.984 -2.463 -10.977 1.00 0.00 H new ATOM 0 HH11 ARG A 61 11.682 -5.538 -10.620 1.00 0.00 H new ATOM 0 HH12 ARG A 61 12.017 -5.687 -12.348 1.00 0.00 H new ATOM 0 HH21 ARG A 61 10.417 -2.663 -13.197 1.00 0.00 H new ATOM 0 HH22 ARG A 61 11.304 -4.066 -13.801 1.00 0.00 H new ATOM 865 N GLY A 62 5.365 -1.765 -9.855 1.00 0.00 N ATOM 866 CA GLY A 62 3.939 -1.967 -10.023 1.00 0.00 C ATOM 867 C GLY A 62 3.139 -0.721 -9.701 1.00 0.00 C ATOM 868 O GLY A 62 3.608 0.154 -8.972 1.00 0.00 O ATOM 0 H GLY A 62 5.625 -0.861 -9.460 1.00 0.00 H new ATOM 0 HA2 GLY A 62 3.736 -2.271 -11.050 1.00 0.00 H new ATOM 0 HA3 GLY A 62 3.612 -2.783 -9.378 1.00 0.00 H new ATOM 872 N ILE A 63 1.928 -0.639 -10.243 1.00 0.00 N ATOM 873 CA ILE A 63 1.064 0.509 -10.009 1.00 0.00 C ATOM 874 C ILE A 63 -0.345 0.071 -9.623 1.00 0.00 C ATOM 875 O ILE A 63 -0.884 -0.889 -10.173 1.00 0.00 O ATOM 876 CB ILE A 63 0.983 1.422 -11.250 1.00 0.00 C ATOM 877 CG1 ILE A 63 2.369 1.979 -11.589 1.00 0.00 C ATOM 878 CG2 ILE A 63 -0.008 2.556 -11.012 1.00 0.00 C ATOM 879 CD1 ILE A 63 2.377 2.903 -12.788 1.00 0.00 C ATOM 0 H ILE A 63 1.524 -1.355 -10.847 1.00 0.00 H new ATOM 0 HA ILE A 63 1.507 1.069 -9.185 1.00 0.00 H new ATOM 0 HB ILE A 63 0.631 0.832 -12.096 1.00 0.00 H new ATOM 0 HG12 ILE A 63 2.756 2.517 -10.724 1.00 0.00 H new ATOM 0 HG13 ILE A 63 3.049 1.148 -11.777 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -0.054 3.191 -11.897 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -0.996 2.140 -10.813 1.00 0.00 H new ATOM 0 HG23 ILE A 63 0.316 3.149 -10.156 1.00 0.00 H new ATOM 0 HD11 ILE A 63 3.392 3.258 -12.967 1.00 0.00 H new ATOM 0 HD12 ILE A 63 2.021 2.363 -13.666 1.00 0.00 H new ATOM 0 HD13 ILE A 63 1.724 3.754 -12.596 1.00 0.00 H new ATOM 891 N LEU A 64 -0.930 0.786 -8.670 1.00 0.00 N ATOM 892 CA LEU A 64 -2.275 0.494 -8.197 1.00 0.00 C ATOM 893 C LEU A 64 -3.265 1.477 -8.811 1.00 0.00 C ATOM 894 O LEU A 64 -3.389 2.612 -8.353 1.00 0.00 O ATOM 895 CB LEU A 64 -2.317 0.584 -6.668 1.00 0.00 C ATOM 896 CG LEU A 64 -3.315 -0.343 -5.964 1.00 0.00 C ATOM 897 CD1 LEU A 64 -3.146 -1.780 -6.435 1.00 0.00 C ATOM 898 CD2 LEU A 64 -3.131 -0.252 -4.458 1.00 0.00 C ATOM 0 H LEU A 64 -0.488 1.580 -8.206 1.00 0.00 H new ATOM 0 HA LEU A 64 -2.551 -0.516 -8.499 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -1.320 0.369 -6.284 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -2.550 1.612 -6.391 1.00 0.00 H new ATOM 0 HG LEU A 64 -4.325 -0.023 -6.218 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -3.865 -2.418 -5.921 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.317 -1.833 -7.510 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -2.135 -2.120 -6.211 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -3.843 -0.913 -3.964 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -2.116 -0.552 -4.197 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -3.302 0.774 -4.132 1.00 0.00 H new ATOM 910 N ASP A 65 -3.952 1.040 -9.861 1.00 0.00 N ATOM 911 CA ASP A 65 -4.926 1.884 -10.542 1.00 0.00 C ATOM 912 C ASP A 65 -5.916 2.482 -9.550 1.00 0.00 C ATOM 913 O ASP A 65 -6.437 3.578 -9.763 1.00 0.00 O ATOM 914 CB ASP A 65 -5.681 1.077 -11.600 1.00 0.00 C ATOM 915 CG ASP A 65 -4.748 0.377 -12.570 1.00 0.00 C ATOM 916 OD1 ASP A 65 -4.341 -0.767 -12.280 1.00 0.00 O ATOM 917 OD2 ASP A 65 -4.424 0.974 -13.618 1.00 0.00 O ATOM 0 H ASP A 65 -3.852 0.106 -10.259 1.00 0.00 H new ATOM 0 HA ASP A 65 -4.385 2.697 -11.028 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -6.310 0.336 -11.107 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -6.345 1.741 -12.154 1.00 0.00 H new ATOM 922 N LEU A 66 -6.169 1.754 -8.466 1.00 0.00 N ATOM 923 CA LEU A 66 -7.101 2.205 -7.441 1.00 0.00 C ATOM 924 C LEU A 66 -8.463 2.512 -8.056 1.00 0.00 C ATOM 925 O LEU A 66 -8.710 2.196 -9.221 1.00 0.00 O ATOM 926 CB LEU A 66 -6.548 3.438 -6.721 1.00 0.00 C ATOM 927 CG LEU A 66 -5.269 3.196 -5.914 1.00 0.00 C ATOM 928 CD1 LEU A 66 -4.705 4.509 -5.395 1.00 0.00 C ATOM 929 CD2 LEU A 66 -5.532 2.237 -4.764 1.00 0.00 C ATOM 0 H LEU A 66 -5.740 0.848 -8.276 1.00 0.00 H new ATOM 0 HA LEU A 66 -7.225 1.405 -6.711 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -6.352 4.215 -7.460 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -7.316 3.823 -6.050 1.00 0.00 H new ATOM 0 HG LEU A 66 -4.531 2.743 -6.576 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -3.797 4.315 -4.824 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -4.473 5.163 -6.236 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -5.441 4.992 -4.752 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -4.610 2.079 -4.204 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -6.290 2.659 -4.104 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -5.885 1.284 -5.158 1.00 0.00 H new ATOM 941 N ASN A 67 -9.348 3.116 -7.267 1.00 0.00 N ATOM 942 CA ASN A 67 -10.688 3.458 -7.735 1.00 0.00 C ATOM 943 C ASN A 67 -11.488 2.203 -8.080 1.00 0.00 C ATOM 944 O ASN A 67 -12.661 2.287 -8.443 1.00 0.00 O ATOM 945 CB ASN A 67 -10.613 4.374 -8.958 1.00 0.00 C ATOM 946 CG ASN A 67 -9.888 5.674 -8.672 1.00 0.00 C ATOM 947 OD1 ASN A 67 -9.965 6.211 -7.569 1.00 0.00 O ATOM 948 ND2 ASN A 67 -9.175 6.185 -9.670 1.00 0.00 N ATOM 0 H ASN A 67 -9.161 3.379 -6.299 1.00 0.00 H new ATOM 0 HA ASN A 67 -11.197 3.982 -6.926 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -10.106 3.850 -9.768 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -11.623 4.595 -9.304 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -8.663 7.057 -9.537 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -9.139 5.705 -10.569 1.00 0.00 H new ATOM 955 N THR A 68 -10.849 1.040 -7.965 1.00 0.00 N ATOM 956 CA THR A 68 -11.505 -0.224 -8.269 1.00 0.00 C ATOM 957 C THR A 68 -11.139 -1.296 -7.249 1.00 0.00 C ATOM 958 O THR A 68 -11.356 -2.483 -7.481 1.00 0.00 O ATOM 959 CB THR A 68 -11.136 -0.723 -9.680 1.00 0.00 C ATOM 960 OG1 THR A 68 -11.899 -1.893 -10.003 1.00 0.00 O ATOM 961 CG2 THR A 68 -9.652 -1.041 -9.773 1.00 0.00 C ATOM 0 H THR A 68 -9.879 0.950 -7.664 1.00 0.00 H new ATOM 0 HA THR A 68 -12.579 -0.040 -8.226 1.00 0.00 H new ATOM 0 HB THR A 68 -11.367 0.070 -10.391 1.00 0.00 H new ATOM 0 HG1 THR A 68 -11.731 -2.589 -9.333 1.00 0.00 H new ATOM 0 HG21 THR A 68 -9.417 -1.391 -10.778 1.00 0.00 H new ATOM 0 HG22 THR A 68 -9.073 -0.143 -9.557 1.00 0.00 H new ATOM 0 HG23 THR A 68 -9.400 -1.817 -9.050 1.00 0.00 H new ATOM 969 N TYR A 69 -10.576 -0.874 -6.120 1.00 0.00 N ATOM 970 CA TYR A 69 -10.195 -1.806 -5.064 1.00 0.00 C ATOM 971 C TYR A 69 -11.080 -1.623 -3.836 1.00 0.00 C ATOM 972 O TYR A 69 -11.864 -0.677 -3.754 1.00 0.00 O ATOM 973 CB TYR A 69 -8.732 -1.602 -4.652 1.00 0.00 C ATOM 974 CG TYR A 69 -7.737 -2.430 -5.431 1.00 0.00 C ATOM 975 CD1 TYR A 69 -7.225 -1.987 -6.643 1.00 0.00 C ATOM 976 CD2 TYR A 69 -7.301 -3.656 -4.943 1.00 0.00 C ATOM 977 CE1 TYR A 69 -6.306 -2.744 -7.348 1.00 0.00 C ATOM 978 CE2 TYR A 69 -6.385 -4.417 -5.640 1.00 0.00 C ATOM 979 CZ TYR A 69 -5.890 -3.957 -6.842 1.00 0.00 C ATOM 980 OH TYR A 69 -4.976 -4.713 -7.540 1.00 0.00 O ATOM 0 H TYR A 69 -10.374 0.104 -5.914 1.00 0.00 H new ATOM 0 HA TYR A 69 -10.322 -2.814 -5.460 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -8.479 -0.548 -4.770 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -8.630 -1.838 -3.593 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -7.549 -1.037 -7.042 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -7.686 -4.020 -4.002 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -5.917 -2.386 -8.290 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -6.057 -5.368 -5.246 1.00 0.00 H new ATOM 0 HH TYR A 69 -4.788 -5.538 -7.046 1.00 0.00 H new ATOM 990 N ASN A 70 -10.946 -2.539 -2.887 1.00 0.00 N ATOM 991 CA ASN A 70 -11.703 -2.486 -1.642 1.00 0.00 C ATOM 992 C ASN A 70 -10.776 -2.763 -0.466 1.00 0.00 C ATOM 993 O ASN A 70 -10.224 -3.852 -0.349 1.00 0.00 O ATOM 994 CB ASN A 70 -12.842 -3.505 -1.666 1.00 0.00 C ATOM 995 CG ASN A 70 -13.923 -3.140 -2.664 1.00 0.00 C ATOM 996 OD1 ASN A 70 -14.221 -1.963 -2.868 1.00 0.00 O ATOM 997 ND2 ASN A 70 -14.510 -4.149 -3.296 1.00 0.00 N ATOM 0 H ASN A 70 -10.313 -3.336 -2.957 1.00 0.00 H new ATOM 0 HA ASN A 70 -12.134 -1.491 -1.533 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -12.441 -4.488 -1.912 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -13.280 -3.579 -0.671 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -15.241 -3.964 -3.983 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -14.230 -5.109 -3.094 1.00 0.00 H new ATOM 1004 N VAL A 71 -10.620 -1.788 0.419 1.00 0.00 N ATOM 1005 CA VAL A 71 -9.731 -1.954 1.559 1.00 0.00 C ATOM 1006 C VAL A 71 -10.498 -2.435 2.786 1.00 0.00 C ATOM 1007 O VAL A 71 -11.645 -2.046 3.014 1.00 0.00 O ATOM 1008 CB VAL A 71 -8.966 -0.647 1.887 1.00 0.00 C ATOM 1009 CG1 VAL A 71 -8.996 0.315 0.704 1.00 0.00 C ATOM 1010 CG2 VAL A 71 -9.517 0.021 3.138 1.00 0.00 C ATOM 0 H VAL A 71 -11.091 -0.885 0.371 1.00 0.00 H new ATOM 0 HA VAL A 71 -8.998 -2.713 1.284 1.00 0.00 H new ATOM 0 HB VAL A 71 -7.928 -0.915 2.083 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -8.452 1.224 0.960 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -8.528 -0.156 -0.160 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -10.030 0.566 0.465 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -8.958 0.935 3.339 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -10.569 0.265 2.987 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -9.420 -0.658 3.986 1.00 0.00 H new ATOM 1020 N VAL A 72 -9.850 -3.290 3.569 1.00 0.00 N ATOM 1021 CA VAL A 72 -10.454 -3.847 4.771 1.00 0.00 C ATOM 1022 C VAL A 72 -9.444 -3.901 5.911 1.00 0.00 C ATOM 1023 O VAL A 72 -8.399 -4.542 5.798 1.00 0.00 O ATOM 1024 CB VAL A 72 -11.006 -5.264 4.515 1.00 0.00 C ATOM 1025 CG1 VAL A 72 -12.432 -5.196 3.990 1.00 0.00 C ATOM 1026 CG2 VAL A 72 -10.111 -6.023 3.548 1.00 0.00 C ATOM 0 H VAL A 72 -8.899 -3.614 3.390 1.00 0.00 H new ATOM 0 HA VAL A 72 -11.279 -3.192 5.050 1.00 0.00 H new ATOM 0 HB VAL A 72 -11.017 -5.804 5.462 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -12.804 -6.206 3.815 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -13.066 -4.697 4.723 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -12.449 -4.636 3.055 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -10.519 -7.020 3.381 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -10.063 -5.487 2.600 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -9.109 -6.106 3.969 1.00 0.00 H new ATOM 1036 N LYS A 73 -9.762 -3.227 7.010 1.00 0.00 N ATOM 1037 CA LYS A 73 -8.878 -3.193 8.168 1.00 0.00 C ATOM 1038 C LYS A 73 -8.803 -4.558 8.843 1.00 0.00 C ATOM 1039 O LYS A 73 -9.732 -4.972 9.537 1.00 0.00 O ATOM 1040 CB LYS A 73 -9.356 -2.141 9.170 1.00 0.00 C ATOM 1041 CG LYS A 73 -8.505 -2.066 10.429 1.00 0.00 C ATOM 1042 CD LYS A 73 -9.038 -1.030 11.408 1.00 0.00 C ATOM 1043 CE LYS A 73 -10.400 -1.426 11.958 1.00 0.00 C ATOM 1044 NZ LYS A 73 -10.352 -2.729 12.678 1.00 0.00 N ATOM 0 H LYS A 73 -10.626 -2.697 7.123 1.00 0.00 H new ATOM 0 HA LYS A 73 -7.880 -2.928 7.820 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -9.359 -1.165 8.685 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -10.386 -2.361 9.451 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -8.481 -3.043 10.911 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -7.478 -1.818 10.160 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -8.334 -0.911 12.231 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -9.113 -0.063 10.910 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -10.757 -0.650 12.635 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -11.117 -1.490 11.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -11.207 -2.836 13.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -10.304 -3.505 11.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -9.511 -2.757 13.289 1.00 0.00 H new ATOM 1058 N ALA A 74 -7.690 -5.253 8.632 1.00 0.00 N ATOM 1059 CA ALA A 74 -7.486 -6.566 9.231 1.00 0.00 C ATOM 1060 C ALA A 74 -6.944 -6.432 10.654 1.00 0.00 C ATOM 1061 O ALA A 74 -5.875 -5.849 10.864 1.00 0.00 O ATOM 1062 CB ALA A 74 -6.535 -7.393 8.377 1.00 0.00 C ATOM 0 H ALA A 74 -6.917 -4.929 8.051 1.00 0.00 H new ATOM 0 HA ALA A 74 -8.448 -7.076 9.278 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -6.391 -8.371 8.836 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -6.957 -7.518 7.380 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -5.575 -6.882 8.303 1.00 0.00 H new ATOM 1068 N PRO A 75 -7.669 -6.975 11.655 1.00 0.00 N ATOM 1069 CA PRO A 75 -7.264 -6.909 13.058 1.00 0.00 C ATOM 1070 C PRO A 75 -6.197 -7.941 13.407 1.00 0.00 C ATOM 1071 O PRO A 75 -6.127 -9.008 12.796 1.00 0.00 O ATOM 1072 CB PRO A 75 -8.559 -7.207 13.832 1.00 0.00 C ATOM 1073 CG PRO A 75 -9.634 -7.360 12.802 1.00 0.00 C ATOM 1074 CD PRO A 75 -8.944 -7.683 11.510 1.00 0.00 C ATOM 0 HA PRO A 75 -6.821 -5.942 13.298 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -8.457 -8.115 14.427 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -8.794 -6.398 14.523 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -10.328 -8.154 13.080 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -10.218 -6.444 12.712 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -8.802 -8.756 11.382 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -9.509 -7.331 10.647 1.00 0.00 H new ATOM 1082 N GLN A 76 -5.370 -7.614 14.397 1.00 0.00 N ATOM 1083 CA GLN A 76 -4.304 -8.510 14.839 1.00 0.00 C ATOM 1084 C GLN A 76 -3.418 -8.921 13.670 1.00 0.00 C ATOM 1085 O GLN A 76 -2.726 -9.938 13.728 1.00 0.00 O ATOM 1086 CB GLN A 76 -4.899 -9.750 15.506 1.00 0.00 C ATOM 1087 CG GLN A 76 -5.823 -9.424 16.667 1.00 0.00 C ATOM 1088 CD GLN A 76 -6.233 -10.655 17.451 1.00 0.00 C ATOM 1089 OE1 GLN A 76 -5.566 -11.044 18.411 1.00 0.00 O ATOM 1090 NE2 GLN A 76 -7.335 -11.276 17.047 1.00 0.00 N ATOM 0 H GLN A 76 -5.418 -6.733 14.909 1.00 0.00 H new ATOM 0 HA GLN A 76 -3.690 -7.975 15.563 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -5.451 -10.325 14.762 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -4.089 -10.386 15.863 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -5.326 -8.721 17.336 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -6.715 -8.926 16.287 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -7.857 -10.919 16.247 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -7.659 -12.110 17.537 1.00 0.00 H new ATOM 1099 N GLY A 77 -3.438 -8.116 12.614 1.00 0.00 N ATOM 1100 CA GLY A 77 -2.636 -8.407 11.441 1.00 0.00 C ATOM 1101 C GLY A 77 -2.938 -9.774 10.861 1.00 0.00 C ATOM 1102 O GLY A 77 -4.040 -10.298 11.030 1.00 0.00 O ATOM 0 H GLY A 77 -3.997 -7.265 12.549 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -2.816 -7.645 10.682 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -1.579 -8.352 11.703 1.00 0.00 H new ATOM 1106 N LYS A 78 -1.959 -10.356 10.177 1.00 0.00 N ATOM 1107 CA LYS A 78 -2.126 -11.671 9.573 1.00 0.00 C ATOM 1108 C LYS A 78 -0.869 -12.516 9.750 1.00 0.00 C ATOM 1109 O LYS A 78 -0.945 -13.695 10.093 1.00 0.00 O ATOM 1110 CB LYS A 78 -2.457 -11.530 8.088 1.00 0.00 C ATOM 1111 CG LYS A 78 -2.846 -12.840 7.426 1.00 0.00 C ATOM 1112 CD LYS A 78 -3.247 -12.633 5.976 1.00 0.00 C ATOM 1113 CE LYS A 78 -2.039 -12.378 5.091 1.00 0.00 C ATOM 1114 NZ LYS A 78 -2.414 -12.290 3.653 1.00 0.00 N ATOM 0 H LYS A 78 -1.041 -9.937 10.027 1.00 0.00 H new ATOM 0 HA LYS A 78 -2.951 -12.175 10.077 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -3.274 -10.817 7.972 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -1.594 -11.113 7.570 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -2.010 -13.537 7.477 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -3.673 -13.293 7.972 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -3.782 -13.512 5.617 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -3.935 -11.790 5.905 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -1.554 -11.451 5.397 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -1.312 -13.179 5.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -1.657 -11.809 3.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -2.548 -13.248 3.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -3.299 -11.752 3.557 1.00 0.00 H new ATOM 1128 N ASN A 79 0.285 -11.903 9.514 1.00 0.00 N ATOM 1129 CA ASN A 79 1.562 -12.597 9.646 1.00 0.00 C ATOM 1130 C ASN A 79 2.575 -11.748 10.408 1.00 0.00 C ATOM 1131 O ASN A 79 3.126 -10.789 9.868 1.00 0.00 O ATOM 1132 CB ASN A 79 2.118 -12.955 8.266 1.00 0.00 C ATOM 1133 CG ASN A 79 1.289 -14.013 7.565 1.00 0.00 C ATOM 1134 OD1 ASN A 79 1.543 -15.209 7.705 1.00 0.00 O ATOM 1135 ND2 ASN A 79 0.293 -13.576 6.805 1.00 0.00 N ATOM 0 H ASN A 79 0.363 -10.926 9.230 1.00 0.00 H new ATOM 0 HA ASN A 79 1.387 -13.512 10.211 1.00 0.00 H new ATOM 0 HB2 ASN A 79 2.154 -12.058 7.648 1.00 0.00 H new ATOM 0 HB3 ASN A 79 3.143 -13.311 8.372 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -0.299 -14.241 6.308 1.00 0.00 H new ATOM 0 HD22 ASN A 79 0.119 -12.575 6.718 1.00 0.00 H new ATOM 1142 N GLN A 80 2.810 -12.104 11.669 1.00 0.00 N ATOM 1143 CA GLN A 80 3.760 -11.381 12.511 1.00 0.00 C ATOM 1144 C GLN A 80 3.391 -9.903 12.622 1.00 0.00 C ATOM 1145 O GLN A 80 4.188 -9.091 13.090 1.00 0.00 O ATOM 1146 CB GLN A 80 5.177 -11.523 11.951 1.00 0.00 C ATOM 1147 CG GLN A 80 5.672 -12.959 11.903 1.00 0.00 C ATOM 1148 CD GLN A 80 7.070 -13.076 11.326 1.00 0.00 C ATOM 1149 OE1 GLN A 80 7.477 -12.273 10.487 1.00 0.00 O ATOM 1150 NE2 GLN A 80 7.813 -14.081 11.776 1.00 0.00 N ATOM 0 H GLN A 80 2.354 -12.891 12.131 1.00 0.00 H new ATOM 0 HA GLN A 80 3.721 -11.817 13.509 1.00 0.00 H new ATOM 0 HB2 GLN A 80 5.205 -11.104 10.945 1.00 0.00 H new ATOM 0 HB3 GLN A 80 5.860 -10.932 12.561 1.00 0.00 H new ATOM 0 HG2 GLN A 80 5.663 -13.376 12.910 1.00 0.00 H new ATOM 0 HG3 GLN A 80 4.985 -13.556 11.304 1.00 0.00 H new ATOM 0 HE21 GLN A 80 7.435 -14.723 12.472 1.00 0.00 H new ATOM 0 HE22 GLN A 80 8.762 -14.211 11.425 1.00 0.00 H new ATOM 1159 N LYS A 81 2.180 -9.565 12.194 1.00 0.00 N ATOM 1160 CA LYS A 81 1.707 -8.187 12.244 1.00 0.00 C ATOM 1161 C LYS A 81 0.462 -8.066 13.117 1.00 0.00 C ATOM 1162 O LYS A 81 -0.190 -9.062 13.428 1.00 0.00 O ATOM 1163 CB LYS A 81 1.403 -7.684 10.833 1.00 0.00 C ATOM 1164 CG LYS A 81 2.644 -7.396 10.006 1.00 0.00 C ATOM 1165 CD LYS A 81 3.328 -6.114 10.453 1.00 0.00 C ATOM 1166 CE LYS A 81 4.624 -5.886 9.695 1.00 0.00 C ATOM 1167 NZ LYS A 81 5.283 -4.610 10.090 1.00 0.00 N ATOM 0 H LYS A 81 1.507 -10.227 11.808 1.00 0.00 H new ATOM 0 HA LYS A 81 2.495 -7.575 12.683 1.00 0.00 H new ATOM 0 HB2 LYS A 81 0.797 -8.427 10.315 1.00 0.00 H new ATOM 0 HB3 LYS A 81 0.804 -6.776 10.902 1.00 0.00 H new ATOM 0 HG2 LYS A 81 3.341 -8.230 10.091 1.00 0.00 H new ATOM 0 HG3 LYS A 81 2.371 -7.316 8.954 1.00 0.00 H new ATOM 0 HD2 LYS A 81 2.659 -5.268 10.295 1.00 0.00 H new ATOM 0 HD3 LYS A 81 3.534 -6.163 11.522 1.00 0.00 H new ATOM 0 HE2 LYS A 81 5.304 -6.718 9.880 1.00 0.00 H new ATOM 0 HE3 LYS A 81 4.421 -5.873 8.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 6.164 -4.492 9.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 4.645 -3.813 9.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 5.501 -4.632 11.107 1.00 0.00 H new ATOM 1181 N SER A 82 0.141 -6.836 13.507 1.00 0.00 N ATOM 1182 CA SER A 82 -1.030 -6.575 14.337 1.00 0.00 C ATOM 1183 C SER A 82 -1.966 -5.593 13.641 1.00 0.00 C ATOM 1184 O SER A 82 -3.176 -5.599 13.870 1.00 0.00 O ATOM 1185 CB SER A 82 -0.607 -6.020 15.699 1.00 0.00 C ATOM 1186 OG SER A 82 0.227 -6.937 16.388 1.00 0.00 O ATOM 0 H SER A 82 0.676 -6.003 13.261 1.00 0.00 H new ATOM 0 HA SER A 82 -1.559 -7.516 14.491 1.00 0.00 H new ATOM 0 HB2 SER A 82 -0.080 -5.076 15.562 1.00 0.00 H new ATOM 0 HB3 SER A 82 -1.492 -5.807 16.299 1.00 0.00 H new ATOM 0 HG SER A 82 0.485 -6.558 17.254 1.00 0.00 H new ATOM 1192 N PHE A 83 -1.390 -4.753 12.790 1.00 0.00 N ATOM 1193 CA PHE A 83 -2.155 -3.761 12.043 1.00 0.00 C ATOM 1194 C PHE A 83 -1.958 -3.969 10.545 1.00 0.00 C ATOM 1195 O PHE A 83 -0.950 -3.542 9.981 1.00 0.00 O ATOM 1196 CB PHE A 83 -1.716 -2.350 12.434 1.00 0.00 C ATOM 1197 CG PHE A 83 -1.454 -2.175 13.903 1.00 0.00 C ATOM 1198 CD1 PHE A 83 -2.463 -2.372 14.832 1.00 0.00 C ATOM 1199 CD2 PHE A 83 -0.195 -1.810 14.352 1.00 0.00 C ATOM 1200 CE1 PHE A 83 -2.220 -2.209 16.183 1.00 0.00 C ATOM 1201 CE2 PHE A 83 0.053 -1.644 15.701 1.00 0.00 C ATOM 1202 CZ PHE A 83 -0.960 -1.843 16.619 1.00 0.00 C ATOM 0 H PHE A 83 -0.388 -4.739 12.599 1.00 0.00 H new ATOM 0 HA PHE A 83 -3.211 -3.881 12.284 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -0.811 -2.096 11.882 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -2.486 -1.643 12.126 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -3.450 -2.656 14.497 1.00 0.00 H new ATOM 0 HD2 PHE A 83 0.601 -1.654 13.639 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -3.014 -2.367 16.898 1.00 0.00 H new ATOM 0 HE2 PHE A 83 1.039 -1.359 16.038 1.00 0.00 H new ATOM 0 HZ PHE A 83 -0.768 -1.713 17.674 1.00 0.00 H new ATOM 1212 N VAL A 84 -2.918 -4.628 9.901 1.00 0.00 N ATOM 1213 CA VAL A 84 -2.821 -4.898 8.470 1.00 0.00 C ATOM 1214 C VAL A 84 -4.101 -4.516 7.733 1.00 0.00 C ATOM 1215 O VAL A 84 -5.196 -4.623 8.276 1.00 0.00 O ATOM 1216 CB VAL A 84 -2.521 -6.393 8.207 1.00 0.00 C ATOM 1217 CG1 VAL A 84 -2.665 -6.732 6.730 1.00 0.00 C ATOM 1218 CG2 VAL A 84 -1.133 -6.757 8.705 1.00 0.00 C ATOM 0 H VAL A 84 -3.766 -4.982 10.344 1.00 0.00 H new ATOM 0 HA VAL A 84 -2.001 -4.287 8.093 1.00 0.00 H new ATOM 0 HB VAL A 84 -3.253 -6.982 8.760 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -2.448 -7.789 6.576 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -3.684 -6.520 6.406 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -1.966 -6.130 6.149 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -0.942 -7.812 8.511 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -0.390 -6.152 8.186 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -1.070 -6.568 9.777 1.00 0.00 H new ATOM 1228 N PHE A 85 -3.941 -4.059 6.495 1.00 0.00 N ATOM 1229 CA PHE A 85 -5.071 -3.688 5.650 1.00 0.00 C ATOM 1230 C PHE A 85 -4.995 -4.453 4.336 1.00 0.00 C ATOM 1231 O PHE A 85 -3.989 -4.389 3.629 1.00 0.00 O ATOM 1232 CB PHE A 85 -5.085 -2.182 5.374 1.00 0.00 C ATOM 1233 CG PHE A 85 -5.709 -1.365 6.466 1.00 0.00 C ATOM 1234 CD1 PHE A 85 -5.150 -1.329 7.733 1.00 0.00 C ATOM 1235 CD2 PHE A 85 -6.853 -0.625 6.222 1.00 0.00 C ATOM 1236 CE1 PHE A 85 -5.722 -0.571 8.735 1.00 0.00 C ATOM 1237 CE2 PHE A 85 -7.430 0.136 7.219 1.00 0.00 C ATOM 1238 CZ PHE A 85 -6.864 0.163 8.478 1.00 0.00 C ATOM 0 H PHE A 85 -3.031 -3.936 6.051 1.00 0.00 H new ATOM 0 HA PHE A 85 -5.992 -3.944 6.174 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -4.061 -1.842 5.221 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -5.624 -1.999 4.445 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -4.257 -1.900 7.939 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -7.300 -0.643 5.239 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -5.277 -0.552 9.719 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -8.322 0.709 7.014 1.00 0.00 H new ATOM 0 HZ PHE A 85 -7.313 0.757 9.260 1.00 0.00 H new ATOM 1248 N ILE A 86 -6.059 -5.174 4.010 1.00 0.00 N ATOM 1249 CA ILE A 86 -6.094 -5.963 2.786 1.00 0.00 C ATOM 1250 C ILE A 86 -6.850 -5.249 1.676 1.00 0.00 C ATOM 1251 O ILE A 86 -7.899 -4.648 1.908 1.00 0.00 O ATOM 1252 CB ILE A 86 -6.761 -7.329 3.024 1.00 0.00 C ATOM 1253 CG1 ILE A 86 -6.006 -8.122 4.090 1.00 0.00 C ATOM 1254 CG2 ILE A 86 -6.838 -8.120 1.726 1.00 0.00 C ATOM 1255 CD1 ILE A 86 -6.783 -9.311 4.610 1.00 0.00 C ATOM 0 H ILE A 86 -6.907 -5.229 4.574 1.00 0.00 H new ATOM 0 HA ILE A 86 -5.057 -6.104 2.483 1.00 0.00 H new ATOM 0 HB ILE A 86 -7.775 -7.154 3.383 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -5.060 -8.468 3.674 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -5.765 -7.461 4.923 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -7.313 -9.083 1.914 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -7.424 -7.563 0.995 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -5.832 -8.281 1.338 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -6.191 -9.831 5.363 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -7.717 -8.969 5.055 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -7.001 -9.991 3.787 1.00 0.00 H new ATOM 1267 N LEU A 87 -6.306 -5.320 0.468 1.00 0.00 N ATOM 1268 CA LEU A 87 -6.938 -4.711 -0.690 1.00 0.00 C ATOM 1269 C LEU A 87 -7.625 -5.787 -1.516 1.00 0.00 C ATOM 1270 O LEU A 87 -7.056 -6.852 -1.760 1.00 0.00 O ATOM 1271 CB LEU A 87 -5.913 -3.958 -1.536 1.00 0.00 C ATOM 1272 CG LEU A 87 -5.306 -2.725 -0.866 1.00 0.00 C ATOM 1273 CD1 LEU A 87 -4.177 -2.164 -1.713 1.00 0.00 C ATOM 1274 CD2 LEU A 87 -6.374 -1.667 -0.632 1.00 0.00 C ATOM 0 H LEU A 87 -5.426 -5.795 0.267 1.00 0.00 H new ATOM 0 HA LEU A 87 -7.682 -3.991 -0.349 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -5.108 -4.643 -1.800 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -6.388 -3.650 -2.468 1.00 0.00 H new ATOM 0 HG LEU A 87 -4.898 -3.021 0.100 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -3.755 -1.287 -1.222 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -3.401 -2.921 -1.833 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -4.563 -1.882 -2.693 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -5.925 -0.796 -0.154 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -6.810 -1.373 -1.587 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -7.153 -2.073 0.013 1.00 0.00 H new ATOM 1286 N GLU A 88 -8.845 -5.505 -1.945 1.00 0.00 N ATOM 1287 CA GLU A 88 -9.618 -6.460 -2.718 1.00 0.00 C ATOM 1288 C GLU A 88 -10.038 -5.855 -4.054 1.00 0.00 C ATOM 1289 O GLU A 88 -10.955 -5.035 -4.110 1.00 0.00 O ATOM 1290 CB GLU A 88 -10.848 -6.906 -1.922 1.00 0.00 C ATOM 1291 CG GLU A 88 -10.509 -7.524 -0.572 1.00 0.00 C ATOM 1292 CD GLU A 88 -11.741 -7.985 0.182 1.00 0.00 C ATOM 1293 OE1 GLU A 88 -12.149 -9.151 -0.003 1.00 0.00 O ATOM 1294 OE2 GLU A 88 -12.299 -7.181 0.957 1.00 0.00 O ATOM 0 H GLU A 88 -9.321 -4.620 -1.770 1.00 0.00 H new ATOM 0 HA GLU A 88 -8.995 -7.331 -2.920 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -11.500 -6.047 -1.765 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -11.410 -7.629 -2.513 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -9.840 -8.372 -0.722 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -9.969 -6.795 0.032 1.00 0.00 H new ATOM 1301 N PRO A 89 -9.371 -6.253 -5.151 1.00 0.00 N ATOM 1302 CA PRO A 89 -9.674 -5.735 -6.488 1.00 0.00 C ATOM 1303 C PRO A 89 -11.113 -6.006 -6.906 1.00 0.00 C ATOM 1304 O PRO A 89 -11.753 -6.931 -6.405 1.00 0.00 O ATOM 1305 CB PRO A 89 -8.700 -6.487 -7.402 1.00 0.00 C ATOM 1306 CG PRO A 89 -8.269 -7.677 -6.616 1.00 0.00 C ATOM 1307 CD PRO A 89 -8.282 -7.244 -5.181 1.00 0.00 C ATOM 0 HA PRO A 89 -9.565 -4.651 -6.532 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -9.183 -6.784 -8.333 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -7.848 -5.862 -7.670 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -8.944 -8.518 -6.777 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -7.274 -8.005 -6.917 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -8.476 -8.079 -4.508 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -7.329 -6.808 -4.881 1.00 0.00 H new ATOM 1315 N LYS A 90 -11.611 -5.191 -7.826 1.00 0.00 N ATOM 1316 CA LYS A 90 -12.974 -5.331 -8.319 1.00 0.00 C ATOM 1317 C LYS A 90 -12.985 -5.443 -9.838 1.00 0.00 C ATOM 1318 O LYS A 90 -14.048 -5.531 -10.454 1.00 0.00 O ATOM 1319 CB LYS A 90 -13.823 -4.134 -7.887 1.00 0.00 C ATOM 1320 CG LYS A 90 -13.757 -3.842 -6.395 1.00 0.00 C ATOM 1321 CD LYS A 90 -14.407 -2.508 -6.060 1.00 0.00 C ATOM 1322 CE LYS A 90 -15.892 -2.506 -6.391 1.00 0.00 C ATOM 1323 NZ LYS A 90 -16.536 -1.207 -6.048 1.00 0.00 N ATOM 0 H LYS A 90 -11.089 -4.423 -8.247 1.00 0.00 H new ATOM 0 HA LYS A 90 -13.397 -6.241 -7.894 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -13.495 -3.251 -8.436 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -14.861 -4.316 -8.167 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -14.256 -4.640 -5.844 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -12.716 -3.833 -6.070 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -14.270 -2.293 -5.000 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -13.910 -1.712 -6.614 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -16.027 -2.709 -7.453 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -16.386 -3.311 -5.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -17.547 -1.247 -6.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -16.429 -1.025 -5.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -16.082 -0.442 -6.586 1.00 0.00 H new ATOM 1337 N GLN A 91 -11.796 -5.436 -10.437 1.00 0.00 N ATOM 1338 CA GLN A 91 -11.678 -5.530 -11.890 1.00 0.00 C ATOM 1339 C GLN A 91 -12.385 -6.773 -12.417 1.00 0.00 C ATOM 1340 O GLN A 91 -13.279 -6.681 -13.258 1.00 0.00 O ATOM 1341 CB GLN A 91 -10.207 -5.551 -12.308 1.00 0.00 C ATOM 1342 CG GLN A 91 -9.373 -4.459 -11.657 1.00 0.00 C ATOM 1343 CD GLN A 91 -7.932 -4.458 -12.132 1.00 0.00 C ATOM 1344 OE1 GLN A 91 -7.024 -4.090 -11.388 1.00 0.00 O ATOM 1345 NE2 GLN A 91 -7.717 -4.868 -13.377 1.00 0.00 N ATOM 0 H GLN A 91 -10.906 -5.367 -9.943 1.00 0.00 H new ATOM 0 HA GLN A 91 -12.157 -4.651 -12.321 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -9.780 -6.522 -12.056 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -10.144 -5.447 -13.391 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -9.822 -3.489 -11.871 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -9.394 -4.588 -10.575 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -8.501 -5.165 -13.959 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -6.768 -4.886 -13.751 1.00 0.00 H new ATOM 1354 N GLN A 92 -11.980 -7.934 -11.914 1.00 0.00 N ATOM 1355 CA GLN A 92 -12.576 -9.199 -12.333 1.00 0.00 C ATOM 1356 C GLN A 92 -12.126 -10.338 -11.424 1.00 0.00 C ATOM 1357 O GLN A 92 -12.898 -10.829 -10.599 1.00 0.00 O ATOM 1358 CB GLN A 92 -12.198 -9.508 -13.783 1.00 0.00 C ATOM 1359 CG GLN A 92 -13.396 -9.790 -14.675 1.00 0.00 C ATOM 1360 CD GLN A 92 -13.000 -10.110 -16.105 1.00 0.00 C ATOM 1361 OE1 GLN A 92 -13.740 -9.819 -17.045 1.00 0.00 O ATOM 1362 NE2 GLN A 92 -11.829 -10.714 -16.276 1.00 0.00 N ATOM 0 H GLN A 92 -11.242 -8.026 -11.216 1.00 0.00 H new ATOM 0 HA GLN A 92 -13.659 -9.105 -12.259 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -11.641 -8.665 -14.192 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -11.531 -10.370 -13.800 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -13.961 -10.626 -14.263 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -14.058 -8.924 -14.671 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -11.247 -10.937 -15.468 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -11.512 -10.955 -17.215 1.00 0.00 H new ATOM 1371 N GLY A 93 -10.874 -10.753 -11.580 1.00 0.00 N ATOM 1372 CA GLY A 93 -10.337 -11.829 -10.768 1.00 0.00 C ATOM 1373 C GLY A 93 -8.903 -11.573 -10.353 1.00 0.00 C ATOM 1374 O GLY A 93 -8.101 -12.502 -10.254 1.00 0.00 O ATOM 0 H GLY A 93 -10.219 -10.362 -12.257 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -10.954 -11.953 -9.878 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -10.390 -12.764 -11.326 1.00 0.00 H new ATOM 1378 N ASP A 94 -8.582 -10.307 -10.111 1.00 0.00 N ATOM 1379 CA ASP A 94 -7.234 -9.920 -9.706 1.00 0.00 C ATOM 1380 C ASP A 94 -6.945 -10.383 -8.277 1.00 0.00 C ATOM 1381 O ASP A 94 -7.867 -10.630 -7.501 1.00 0.00 O ATOM 1382 CB ASP A 94 -7.068 -8.404 -9.811 1.00 0.00 C ATOM 1383 CG ASP A 94 -8.098 -7.771 -10.725 1.00 0.00 C ATOM 1384 OD1 ASP A 94 -9.255 -7.603 -10.286 1.00 0.00 O ATOM 1385 OD2 ASP A 94 -7.749 -7.448 -11.879 1.00 0.00 O ATOM 0 H ASP A 94 -9.238 -9.529 -10.188 1.00 0.00 H new ATOM 0 HA ASP A 94 -6.522 -10.402 -10.375 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -7.148 -7.963 -8.817 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -6.069 -8.176 -10.181 1.00 0.00 H new ATOM 1390 N PRO A 95 -5.655 -10.508 -7.914 1.00 0.00 N ATOM 1391 CA PRO A 95 -5.249 -10.945 -6.576 1.00 0.00 C ATOM 1392 C PRO A 95 -5.255 -9.807 -5.556 1.00 0.00 C ATOM 1393 O PRO A 95 -5.126 -8.638 -5.919 1.00 0.00 O ATOM 1394 CB PRO A 95 -3.827 -11.444 -6.808 1.00 0.00 C ATOM 1395 CG PRO A 95 -3.307 -10.582 -7.908 1.00 0.00 C ATOM 1396 CD PRO A 95 -4.489 -10.241 -8.779 1.00 0.00 C ATOM 0 HA PRO A 95 -5.928 -11.690 -6.161 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -3.220 -11.348 -5.907 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -3.816 -12.497 -7.089 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -2.846 -9.679 -7.508 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -2.541 -11.104 -8.481 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -4.461 -9.200 -9.102 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -4.511 -10.854 -9.680 1.00 0.00 H new ATOM 1404 N PRO A 96 -5.405 -10.137 -4.258 1.00 0.00 N ATOM 1405 CA PRO A 96 -5.419 -9.140 -3.185 1.00 0.00 C ATOM 1406 C PRO A 96 -4.014 -8.696 -2.792 1.00 0.00 C ATOM 1407 O PRO A 96 -3.026 -9.317 -3.183 1.00 0.00 O ATOM 1408 CB PRO A 96 -6.085 -9.888 -2.034 1.00 0.00 C ATOM 1409 CG PRO A 96 -5.705 -11.313 -2.245 1.00 0.00 C ATOM 1410 CD PRO A 96 -5.581 -11.507 -3.735 1.00 0.00 C ATOM 0 HA PRO A 96 -5.934 -8.224 -3.476 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -5.735 -9.523 -1.068 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -7.167 -9.759 -2.051 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -4.764 -11.542 -1.744 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -6.459 -11.981 -1.828 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -4.732 -12.143 -3.986 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -6.469 -11.983 -4.151 1.00 0.00 H new ATOM 1418 N VAL A 97 -3.929 -7.617 -2.016 1.00 0.00 N ATOM 1419 CA VAL A 97 -2.638 -7.095 -1.577 1.00 0.00 C ATOM 1420 C VAL A 97 -2.685 -6.657 -0.114 1.00 0.00 C ATOM 1421 O VAL A 97 -3.486 -5.802 0.263 1.00 0.00 O ATOM 1422 CB VAL A 97 -2.190 -5.899 -2.441 1.00 0.00 C ATOM 1423 CG1 VAL A 97 -0.749 -5.526 -2.127 1.00 0.00 C ATOM 1424 CG2 VAL A 97 -2.357 -6.208 -3.921 1.00 0.00 C ATOM 0 H VAL A 97 -4.735 -7.090 -1.680 1.00 0.00 H new ATOM 0 HA VAL A 97 -1.919 -7.907 -1.688 1.00 0.00 H new ATOM 0 HB VAL A 97 -2.826 -5.047 -2.201 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -0.449 -4.680 -2.746 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -0.665 -5.254 -1.075 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -0.099 -6.376 -2.335 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -2.035 -5.350 -4.511 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -1.751 -7.076 -4.182 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -3.405 -6.420 -4.132 1.00 0.00 H new ATOM 1434 N GLU A 98 -1.819 -7.249 0.705 1.00 0.00 N ATOM 1435 CA GLU A 98 -1.757 -6.922 2.128 1.00 0.00 C ATOM 1436 C GLU A 98 -0.738 -5.815 2.395 1.00 0.00 C ATOM 1437 O GLU A 98 0.298 -5.736 1.733 1.00 0.00 O ATOM 1438 CB GLU A 98 -1.382 -8.162 2.942 1.00 0.00 C ATOM 1439 CG GLU A 98 -2.493 -9.190 3.049 1.00 0.00 C ATOM 1440 CD GLU A 98 -2.922 -9.734 1.700 1.00 0.00 C ATOM 1441 OE1 GLU A 98 -2.333 -10.739 1.250 1.00 0.00 O ATOM 1442 OE2 GLU A 98 -3.848 -9.155 1.093 1.00 0.00 O ATOM 0 H GLU A 98 -1.149 -7.959 0.407 1.00 0.00 H new ATOM 0 HA GLU A 98 -2.743 -6.571 2.431 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -0.509 -8.631 2.488 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -1.091 -7.851 3.945 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -2.159 -10.015 3.679 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -3.353 -8.739 3.544 1.00 0.00 H new ATOM 1449 N PHE A 99 -1.039 -4.966 3.373 1.00 0.00 N ATOM 1450 CA PHE A 99 -0.148 -3.868 3.746 1.00 0.00 C ATOM 1451 C PHE A 99 0.039 -3.821 5.262 1.00 0.00 C ATOM 1452 O PHE A 99 -0.767 -4.372 6.010 1.00 0.00 O ATOM 1453 CB PHE A 99 -0.712 -2.532 3.262 1.00 0.00 C ATOM 1454 CG PHE A 99 -0.480 -2.246 1.806 1.00 0.00 C ATOM 1455 CD1 PHE A 99 -1.214 -2.899 0.830 1.00 0.00 C ATOM 1456 CD2 PHE A 99 0.465 -1.310 1.417 1.00 0.00 C ATOM 1457 CE1 PHE A 99 -1.008 -2.623 -0.508 1.00 0.00 C ATOM 1458 CE2 PHE A 99 0.676 -1.032 0.080 1.00 0.00 C ATOM 1459 CZ PHE A 99 -0.063 -1.690 -0.884 1.00 0.00 C ATOM 0 H PHE A 99 -1.896 -5.016 3.924 1.00 0.00 H new ATOM 0 HA PHE A 99 0.818 -4.042 3.272 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -1.784 -2.514 3.456 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -0.268 -1.730 3.852 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -1.954 -3.631 1.117 1.00 0.00 H new ATOM 0 HD2 PHE A 99 1.043 -0.792 2.168 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -1.587 -3.138 -1.260 1.00 0.00 H new ATOM 0 HE2 PHE A 99 1.417 -0.302 -0.211 1.00 0.00 H new ATOM 0 HZ PHE A 99 0.098 -1.475 -1.930 1.00 0.00 H new ATOM 1469 N ALA A 100 1.102 -3.157 5.713 1.00 0.00 N ATOM 1470 CA ALA A 100 1.375 -3.046 7.144 1.00 0.00 C ATOM 1471 C ALA A 100 2.147 -1.770 7.476 1.00 0.00 C ATOM 1472 O ALA A 100 2.701 -1.118 6.592 1.00 0.00 O ATOM 1473 CB ALA A 100 2.142 -4.265 7.631 1.00 0.00 C ATOM 0 H ALA A 100 1.783 -2.691 5.113 1.00 0.00 H new ATOM 0 HA ALA A 100 0.416 -2.996 7.659 1.00 0.00 H new ATOM 0 HB1 ALA A 100 2.338 -4.169 8.699 1.00 0.00 H new ATOM 0 HB2 ALA A 100 1.551 -5.163 7.450 1.00 0.00 H new ATOM 0 HB3 ALA A 100 3.087 -4.339 7.093 1.00 0.00 H new ATOM 1479 N THR A 101 2.174 -1.426 8.763 1.00 0.00 N ATOM 1480 CA THR A 101 2.878 -0.236 9.233 1.00 0.00 C ATOM 1481 C THR A 101 3.637 -0.530 10.524 1.00 0.00 C ATOM 1482 O THR A 101 3.612 -1.655 11.023 1.00 0.00 O ATOM 1483 CB THR A 101 1.908 0.936 9.477 1.00 0.00 C ATOM 1484 OG1 THR A 101 0.849 0.524 10.349 1.00 0.00 O ATOM 1485 CG2 THR A 101 1.324 1.440 8.164 1.00 0.00 C ATOM 0 H THR A 101 1.714 -1.958 9.501 1.00 0.00 H new ATOM 0 HA THR A 101 3.582 0.047 8.451 1.00 0.00 H new ATOM 0 HB THR A 101 2.466 1.748 9.943 1.00 0.00 H new ATOM 0 HG1 THR A 101 0.806 1.128 11.119 1.00 0.00 H new ATOM 0 HG21 THR A 101 0.642 2.267 8.363 1.00 0.00 H new ATOM 0 HG22 THR A 101 2.130 1.782 7.515 1.00 0.00 H new ATOM 0 HG23 THR A 101 0.781 0.632 7.674 1.00 0.00 H new ATOM 1493 N ASP A 102 4.309 0.484 11.059 1.00 0.00 N ATOM 1494 CA ASP A 102 5.074 0.325 12.292 1.00 0.00 C ATOM 1495 C ASP A 102 4.396 1.041 13.455 1.00 0.00 C ATOM 1496 O ASP A 102 4.725 0.806 14.618 1.00 0.00 O ATOM 1497 CB ASP A 102 6.495 0.863 12.110 1.00 0.00 C ATOM 1498 CG ASP A 102 7.241 0.162 10.991 1.00 0.00 C ATOM 1499 OD1 ASP A 102 7.837 -0.904 11.252 1.00 0.00 O ATOM 1500 OD2 ASP A 102 7.229 0.680 9.855 1.00 0.00 O ATOM 0 H ASP A 102 4.340 1.422 10.660 1.00 0.00 H new ATOM 0 HA ASP A 102 5.120 -0.739 12.522 1.00 0.00 H new ATOM 0 HB2 ASP A 102 6.452 1.932 11.900 1.00 0.00 H new ATOM 0 HB3 ASP A 102 7.048 0.743 13.042 1.00 0.00 H new ATOM 1505 N ARG A 103 3.447 1.915 13.134 1.00 0.00 N ATOM 1506 CA ARG A 103 2.724 2.668 14.152 1.00 0.00 C ATOM 1507 C ARG A 103 1.259 2.840 13.764 1.00 0.00 C ATOM 1508 O ARG A 103 0.857 2.492 12.654 1.00 0.00 O ATOM 1509 CB ARG A 103 3.370 4.041 14.358 1.00 0.00 C ATOM 1510 CG ARG A 103 4.814 3.972 14.829 1.00 0.00 C ATOM 1511 CD ARG A 103 5.419 5.359 14.973 1.00 0.00 C ATOM 1512 NE ARG A 103 6.811 5.307 15.410 1.00 0.00 N ATOM 1513 CZ ARG A 103 7.610 6.368 15.453 1.00 0.00 C ATOM 1514 NH1 ARG A 103 7.158 7.560 15.084 1.00 0.00 N ATOM 1515 NH2 ARG A 103 8.865 6.239 15.864 1.00 0.00 N ATOM 0 H ARG A 103 3.161 2.119 12.176 1.00 0.00 H new ATOM 0 HA ARG A 103 2.773 2.106 15.085 1.00 0.00 H new ATOM 0 HB2 ARG A 103 3.329 4.596 13.421 1.00 0.00 H new ATOM 0 HB3 ARG A 103 2.786 4.602 15.087 1.00 0.00 H new ATOM 0 HG2 ARG A 103 4.861 3.452 15.786 1.00 0.00 H new ATOM 0 HG3 ARG A 103 5.402 3.389 14.120 1.00 0.00 H new ATOM 0 HD2 ARG A 103 5.358 5.882 14.018 1.00 0.00 H new ATOM 0 HD3 ARG A 103 4.835 5.936 15.690 1.00 0.00 H new ATOM 0 HE ARG A 103 7.192 4.406 15.699 1.00 0.00 H new ATOM 0 HH11 ARG A 103 6.194 7.664 14.766 1.00 0.00 H new ATOM 0 HH12 ARG A 103 7.774 8.372 15.118 1.00 0.00 H new ATOM 0 HH21 ARG A 103 9.217 5.325 16.147 1.00 0.00 H new ATOM 0 HH22 ARG A 103 9.477 7.054 15.897 1.00 0.00 H new ATOM 1529 N VAL A 104 0.469 3.378 14.687 1.00 0.00 N ATOM 1530 CA VAL A 104 -0.951 3.599 14.442 1.00 0.00 C ATOM 1531 C VAL A 104 -1.171 4.843 13.584 1.00 0.00 C ATOM 1532 O VAL A 104 -2.149 4.932 12.843 1.00 0.00 O ATOM 1533 CB VAL A 104 -1.733 3.746 15.762 1.00 0.00 C ATOM 1534 CG1 VAL A 104 -1.263 4.972 16.532 1.00 0.00 C ATOM 1535 CG2 VAL A 104 -3.229 3.813 15.495 1.00 0.00 C ATOM 0 H VAL A 104 0.788 3.669 15.611 1.00 0.00 H new ATOM 0 HA VAL A 104 -1.323 2.724 13.908 1.00 0.00 H new ATOM 0 HB VAL A 104 -1.538 2.866 16.376 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -1.828 5.057 17.460 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -0.202 4.873 16.761 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -1.422 5.865 15.927 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -3.763 3.917 16.440 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -3.447 4.671 14.859 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -3.551 2.899 14.995 1.00 0.00 H new ATOM 1545 N GLU A 105 -0.251 5.798 13.688 1.00 0.00 N ATOM 1546 CA GLU A 105 -0.344 7.035 12.920 1.00 0.00 C ATOM 1547 C GLU A 105 -0.130 6.769 11.433 1.00 0.00 C ATOM 1548 O GLU A 105 -0.916 7.212 10.597 1.00 0.00 O ATOM 1549 CB GLU A 105 0.675 8.055 13.426 1.00 0.00 C ATOM 1550 CG GLU A 105 2.080 7.496 13.545 1.00 0.00 C ATOM 1551 CD GLU A 105 3.048 8.474 14.182 1.00 0.00 C ATOM 1552 OE1 GLU A 105 3.671 9.261 13.440 1.00 0.00 O ATOM 1553 OE2 GLU A 105 3.183 8.453 15.424 1.00 0.00 O ATOM 0 H GLU A 105 0.566 5.739 14.296 1.00 0.00 H new ATOM 0 HA GLU A 105 -1.346 7.443 13.055 1.00 0.00 H new ATOM 0 HB2 GLU A 105 0.688 8.910 12.750 1.00 0.00 H new ATOM 0 HB3 GLU A 105 0.355 8.424 14.400 1.00 0.00 H new ATOM 0 HG2 GLU A 105 2.053 6.581 14.136 1.00 0.00 H new ATOM 0 HG3 GLU A 105 2.444 7.225 12.554 1.00 0.00 H new ATOM 1560 N GLU A 106 0.938 6.044 11.110 1.00 0.00 N ATOM 1561 CA GLU A 106 1.239 5.716 9.722 1.00 0.00 C ATOM 1562 C GLU A 106 0.127 4.860 9.134 1.00 0.00 C ATOM 1563 O GLU A 106 -0.080 4.832 7.921 1.00 0.00 O ATOM 1564 CB GLU A 106 2.570 4.964 9.617 1.00 0.00 C ATOM 1565 CG GLU A 106 3.663 5.521 10.513 1.00 0.00 C ATOM 1566 CD GLU A 106 5.023 4.923 10.213 1.00 0.00 C ATOM 1567 OE1 GLU A 106 5.741 5.482 9.357 1.00 0.00 O ATOM 1568 OE2 GLU A 106 5.370 3.896 10.832 1.00 0.00 O ATOM 0 H GLU A 106 1.605 5.675 11.787 1.00 0.00 H new ATOM 0 HA GLU A 106 1.316 6.648 9.162 1.00 0.00 H new ATOM 0 HB2 GLU A 106 2.405 3.916 9.869 1.00 0.00 H new ATOM 0 HB3 GLU A 106 2.912 4.993 8.582 1.00 0.00 H new ATOM 0 HG2 GLU A 106 3.711 6.603 10.392 1.00 0.00 H new ATOM 0 HG3 GLU A 106 3.407 5.328 11.555 1.00 0.00 H new ATOM 1575 N LEU A 107 -0.587 4.163 10.012 1.00 0.00 N ATOM 1576 CA LEU A 107 -1.680 3.298 9.597 1.00 0.00 C ATOM 1577 C LEU A 107 -2.864 4.115 9.100 1.00 0.00 C ATOM 1578 O LEU A 107 -3.307 3.957 7.965 1.00 0.00 O ATOM 1579 CB LEU A 107 -2.130 2.419 10.765 1.00 0.00 C ATOM 1580 CG LEU A 107 -3.108 1.306 10.392 1.00 0.00 C ATOM 1581 CD1 LEU A 107 -2.353 0.017 10.128 1.00 0.00 C ATOM 1582 CD2 LEU A 107 -4.139 1.100 11.489 1.00 0.00 C ATOM 0 H LEU A 107 -0.425 4.182 11.019 1.00 0.00 H new ATOM 0 HA LEU A 107 -1.319 2.670 8.783 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -1.249 1.970 11.224 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -2.594 3.053 11.520 1.00 0.00 H new ATOM 0 HG LEU A 107 -3.634 1.600 9.484 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -3.059 -0.770 9.863 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -1.652 0.168 9.307 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -1.805 -0.274 11.024 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -4.824 0.303 11.200 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -3.635 0.827 12.416 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -4.699 2.023 11.639 1.00 0.00 H new ATOM 1594 N PHE A 108 -3.360 5.000 9.954 1.00 0.00 N ATOM 1595 CA PHE A 108 -4.503 5.834 9.608 1.00 0.00 C ATOM 1596 C PHE A 108 -4.149 6.843 8.524 1.00 0.00 C ATOM 1597 O PHE A 108 -5.006 7.262 7.762 1.00 0.00 O ATOM 1598 CB PHE A 108 -5.022 6.564 10.846 1.00 0.00 C ATOM 1599 CG PHE A 108 -6.519 6.537 10.972 1.00 0.00 C ATOM 1600 CD1 PHE A 108 -7.171 5.382 11.370 1.00 0.00 C ATOM 1601 CD2 PHE A 108 -7.272 7.667 10.693 1.00 0.00 C ATOM 1602 CE1 PHE A 108 -8.548 5.353 11.488 1.00 0.00 C ATOM 1603 CE2 PHE A 108 -8.649 7.643 10.809 1.00 0.00 C ATOM 1604 CZ PHE A 108 -9.288 6.485 11.206 1.00 0.00 C ATOM 0 H PHE A 108 -2.989 5.159 10.891 1.00 0.00 H new ATOM 0 HA PHE A 108 -5.284 5.179 9.221 1.00 0.00 H new ATOM 0 HB2 PHE A 108 -4.582 6.113 11.735 1.00 0.00 H new ATOM 0 HB3 PHE A 108 -4.686 7.601 10.815 1.00 0.00 H new ATOM 0 HD1 PHE A 108 -6.597 4.494 11.591 1.00 0.00 H new ATOM 0 HD2 PHE A 108 -6.778 8.575 10.382 1.00 0.00 H new ATOM 0 HE1 PHE A 108 -9.045 4.446 11.800 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -9.225 8.530 10.589 1.00 0.00 H new ATOM 0 HZ PHE A 108 -10.364 6.464 11.296 1.00 0.00 H new ATOM 1614 N GLU A 109 -2.886 7.229 8.453 1.00 0.00 N ATOM 1615 CA GLU A 109 -2.450 8.205 7.459 1.00 0.00 C ATOM 1616 C GLU A 109 -2.425 7.609 6.051 1.00 0.00 C ATOM 1617 O GLU A 109 -3.102 8.099 5.143 1.00 0.00 O ATOM 1618 CB GLU A 109 -1.061 8.731 7.827 1.00 0.00 C ATOM 1619 CG GLU A 109 -0.530 9.785 6.870 1.00 0.00 C ATOM 1620 CD GLU A 109 -1.383 11.038 6.850 1.00 0.00 C ATOM 1621 OE1 GLU A 109 -1.112 11.954 7.654 1.00 0.00 O ATOM 1622 OE2 GLU A 109 -2.323 11.103 6.029 1.00 0.00 O ATOM 0 H GLU A 109 -2.146 6.886 9.066 1.00 0.00 H new ATOM 0 HA GLU A 109 -3.168 9.025 7.458 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -1.097 9.151 8.832 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -0.362 7.895 7.856 1.00 0.00 H new ATOM 0 HG2 GLU A 109 0.489 10.048 7.154 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -0.482 9.366 5.865 1.00 0.00 H new ATOM 1629 N TRP A 110 -1.658 6.539 5.883 1.00 0.00 N ATOM 1630 CA TRP A 110 -1.516 5.884 4.586 1.00 0.00 C ATOM 1631 C TRP A 110 -2.784 5.149 4.153 1.00 0.00 C ATOM 1632 O TRP A 110 -3.211 5.261 3.005 1.00 0.00 O ATOM 1633 CB TRP A 110 -0.352 4.895 4.629 1.00 0.00 C ATOM 1634 CG TRP A 110 0.946 5.467 4.152 1.00 0.00 C ATOM 1635 CD1 TRP A 110 1.958 5.962 4.924 1.00 0.00 C ATOM 1636 CD2 TRP A 110 1.375 5.599 2.792 1.00 0.00 C ATOM 1637 NE1 TRP A 110 2.991 6.391 4.126 1.00 0.00 N ATOM 1638 CE2 TRP A 110 2.657 6.180 2.815 1.00 0.00 C ATOM 1639 CE3 TRP A 110 0.800 5.282 1.558 1.00 0.00 C ATOM 1640 CZ2 TRP A 110 3.372 6.448 1.652 1.00 0.00 C ATOM 1641 CZ3 TRP A 110 1.512 5.550 0.405 1.00 0.00 C ATOM 1642 CH2 TRP A 110 2.786 6.126 0.458 1.00 0.00 C ATOM 0 H TRP A 110 -1.121 6.103 6.633 1.00 0.00 H new ATOM 0 HA TRP A 110 -1.325 6.669 3.854 1.00 0.00 H new ATOM 0 HB2 TRP A 110 -0.227 4.540 5.652 1.00 0.00 H new ATOM 0 HB3 TRP A 110 -0.602 4.027 4.018 1.00 0.00 H new ATOM 0 HD1 TRP A 110 1.948 6.009 6.003 1.00 0.00 H new ATOM 0 HE1 TRP A 110 3.865 6.800 4.457 1.00 0.00 H new ATOM 0 HE3 TRP A 110 -0.182 4.836 1.507 1.00 0.00 H new ATOM 0 HZ2 TRP A 110 4.355 6.894 1.690 1.00 0.00 H new ATOM 0 HZ3 TRP A 110 1.078 5.311 -0.554 1.00 0.00 H new ATOM 0 HH2 TRP A 110 3.318 6.320 -0.462 1.00 0.00 H new ATOM 1653 N PHE A 111 -3.380 4.399 5.070 1.00 0.00 N ATOM 1654 CA PHE A 111 -4.574 3.622 4.755 1.00 0.00 C ATOM 1655 C PHE A 111 -5.806 4.494 4.531 1.00 0.00 C ATOM 1656 O PHE A 111 -6.683 4.134 3.747 1.00 0.00 O ATOM 1657 CB PHE A 111 -4.808 2.568 5.836 1.00 0.00 C ATOM 1658 CG PHE A 111 -3.768 1.488 5.775 1.00 0.00 C ATOM 1659 CD1 PHE A 111 -3.503 0.847 4.577 1.00 0.00 C ATOM 1660 CD2 PHE A 111 -3.038 1.132 6.895 1.00 0.00 C ATOM 1661 CE1 PHE A 111 -2.535 -0.131 4.496 1.00 0.00 C ATOM 1662 CE2 PHE A 111 -2.064 0.155 6.818 1.00 0.00 C ATOM 1663 CZ PHE A 111 -1.813 -0.477 5.619 1.00 0.00 C ATOM 0 H PHE A 111 -3.059 4.311 6.034 1.00 0.00 H new ATOM 0 HA PHE A 111 -4.400 3.116 3.806 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -4.789 3.040 6.818 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -5.798 2.130 5.712 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -4.062 1.117 3.694 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -3.231 1.622 7.838 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -2.342 -0.625 3.555 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -1.499 -0.114 7.698 1.00 0.00 H new ATOM 0 HZ PHE A 111 -1.053 -1.242 5.559 1.00 0.00 H new ATOM 1673 N GLN A 112 -5.883 5.638 5.205 1.00 0.00 N ATOM 1674 CA GLN A 112 -7.019 6.535 5.015 1.00 0.00 C ATOM 1675 C GLN A 112 -6.944 7.163 3.628 1.00 0.00 C ATOM 1676 O GLN A 112 -7.966 7.352 2.968 1.00 0.00 O ATOM 1677 CB GLN A 112 -7.047 7.614 6.099 1.00 0.00 C ATOM 1678 CG GLN A 112 -8.338 8.412 6.155 1.00 0.00 C ATOM 1679 CD GLN A 112 -8.433 9.466 5.069 1.00 0.00 C ATOM 1680 OE1 GLN A 112 -9.522 9.786 4.594 1.00 0.00 O ATOM 1681 NE2 GLN A 112 -7.290 10.016 4.674 1.00 0.00 N ATOM 0 H GLN A 112 -5.186 5.962 5.876 1.00 0.00 H new ATOM 0 HA GLN A 112 -7.942 5.961 5.096 1.00 0.00 H new ATOM 0 HB2 GLN A 112 -6.883 7.143 7.068 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -6.217 8.300 5.933 1.00 0.00 H new ATOM 0 HG2 GLN A 112 -9.184 7.730 6.066 1.00 0.00 H new ATOM 0 HG3 GLN A 112 -8.418 8.894 7.129 1.00 0.00 H new ATOM 0 HE21 GLN A 112 -6.409 9.720 5.095 1.00 0.00 H new ATOM 0 HE22 GLN A 112 -7.293 10.734 3.949 1.00 0.00 H new ATOM 1690 N SER A 113 -5.726 7.484 3.190 1.00 0.00 N ATOM 1691 CA SER A 113 -5.524 8.062 1.866 1.00 0.00 C ATOM 1692 C SER A 113 -5.840 7.022 0.796 1.00 0.00 C ATOM 1693 O SER A 113 -6.466 7.333 -0.216 1.00 0.00 O ATOM 1694 CB SER A 113 -4.088 8.568 1.707 1.00 0.00 C ATOM 1695 OG SER A 113 -3.157 7.504 1.784 1.00 0.00 O ATOM 0 H SER A 113 -4.871 7.354 3.731 1.00 0.00 H new ATOM 0 HA SER A 113 -6.197 8.911 1.750 1.00 0.00 H new ATOM 0 HB2 SER A 113 -3.983 9.077 0.749 1.00 0.00 H new ATOM 0 HB3 SER A 113 -3.870 9.302 2.483 1.00 0.00 H new ATOM 0 HG SER A 113 -3.434 6.877 2.484 1.00 0.00 H new ATOM 1701 N ILE A 114 -5.395 5.784 1.023 1.00 0.00 N ATOM 1702 CA ILE A 114 -5.672 4.703 0.085 1.00 0.00 C ATOM 1703 C ILE A 114 -7.179 4.561 -0.074 1.00 0.00 C ATOM 1704 O ILE A 114 -7.681 4.221 -1.147 1.00 0.00 O ATOM 1705 CB ILE A 114 -5.068 3.356 0.555 1.00 0.00 C ATOM 1706 CG1 ILE A 114 -3.537 3.394 0.456 1.00 0.00 C ATOM 1707 CG2 ILE A 114 -5.630 2.203 -0.266 1.00 0.00 C ATOM 1708 CD1 ILE A 114 -2.860 2.102 0.874 1.00 0.00 C ATOM 0 H ILE A 114 -4.848 5.511 1.839 1.00 0.00 H new ATOM 0 HA ILE A 114 -5.207 4.953 -0.869 1.00 0.00 H new ATOM 0 HB ILE A 114 -5.343 3.198 1.598 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -3.255 3.624 -0.571 1.00 0.00 H new ATOM 0 HG13 ILE A 114 -3.163 4.206 1.079 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -5.194 1.265 0.078 1.00 0.00 H new ATOM 0 HG22 ILE A 114 -6.713 2.166 -0.147 1.00 0.00 H new ATOM 0 HG23 ILE A 114 -5.386 2.352 -1.318 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -1.780 2.209 0.776 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -3.110 1.879 1.911 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -3.203 1.288 0.235 1.00 0.00 H new ATOM 1720 N ARG A 115 -7.893 4.835 1.015 1.00 0.00 N ATOM 1721 CA ARG A 115 -9.347 4.776 1.024 1.00 0.00 C ATOM 1722 C ARG A 115 -9.919 6.003 0.323 1.00 0.00 C ATOM 1723 O ARG A 115 -10.958 5.936 -0.332 1.00 0.00 O ATOM 1724 CB ARG A 115 -9.869 4.719 2.462 1.00 0.00 C ATOM 1725 CG ARG A 115 -9.614 3.399 3.166 1.00 0.00 C ATOM 1726 CD ARG A 115 -10.206 3.403 4.566 1.00 0.00 C ATOM 1727 NE ARG A 115 -10.010 2.130 5.253 1.00 0.00 N ATOM 1728 CZ ARG A 115 -10.830 1.666 6.192 1.00 0.00 C ATOM 1729 NH1 ARG A 115 -11.893 2.370 6.556 1.00 0.00 N ATOM 1730 NH2 ARG A 115 -10.588 0.496 6.767 1.00 0.00 N ATOM 0 H ARG A 115 -7.481 5.102 1.909 1.00 0.00 H new ATOM 0 HA ARG A 115 -9.662 3.876 0.497 1.00 0.00 H new ATOM 0 HB2 ARG A 115 -9.404 5.520 3.037 1.00 0.00 H new ATOM 0 HB3 ARG A 115 -10.942 4.913 2.455 1.00 0.00 H new ATOM 0 HG2 ARG A 115 -10.048 2.584 2.586 1.00 0.00 H new ATOM 0 HG3 ARG A 115 -8.541 3.214 3.222 1.00 0.00 H new ATOM 0 HD2 ARG A 115 -9.749 4.202 5.149 1.00 0.00 H new ATOM 0 HD3 ARG A 115 -11.272 3.621 4.507 1.00 0.00 H new ATOM 0 HE ARG A 115 -9.200 1.565 4.999 1.00 0.00 H new ATOM 0 HH11 ARG A 115 -12.084 3.270 6.116 1.00 0.00 H new ATOM 0 HH12 ARG A 115 -12.520 2.011 7.276 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -9.772 -0.050 6.489 1.00 0.00 H new ATOM 0 HH22 ARG A 115 -11.218 0.142 7.487 1.00 0.00 H new ATOM 1744 N GLU A 116 -9.222 7.125 0.470 1.00 0.00 N ATOM 1745 CA GLU A 116 -9.639 8.381 -0.140 1.00 0.00 C ATOM 1746 C GLU A 116 -9.730 8.257 -1.657 1.00 0.00 C ATOM 1747 O GLU A 116 -10.375 9.070 -2.318 1.00 0.00 O ATOM 1748 CB GLU A 116 -8.656 9.496 0.232 1.00 0.00 C ATOM 1749 CG GLU A 116 -8.889 10.085 1.614 1.00 0.00 C ATOM 1750 CD GLU A 116 -8.016 11.293 1.884 1.00 0.00 C ATOM 1751 OE1 GLU A 116 -6.797 11.110 2.090 1.00 0.00 O ATOM 1752 OE2 GLU A 116 -8.548 12.423 1.886 1.00 0.00 O ATOM 0 H GLU A 116 -8.359 7.189 1.011 1.00 0.00 H new ATOM 0 HA GLU A 116 -10.630 8.627 0.241 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -7.640 9.104 0.181 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -8.728 10.292 -0.509 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -9.937 10.369 1.713 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -8.693 9.323 2.368 1.00 0.00 H new ATOM 1759 N ILE A 117 -9.080 7.234 -2.202 1.00 0.00 N ATOM 1760 CA ILE A 117 -9.081 7.009 -3.643 1.00 0.00 C ATOM 1761 C ILE A 117 -9.992 5.843 -4.028 1.00 0.00 C ATOM 1762 O ILE A 117 -10.654 5.881 -5.064 1.00 0.00 O ATOM 1763 CB ILE A 117 -7.655 6.738 -4.160 1.00 0.00 C ATOM 1764 CG1 ILE A 117 -6.745 7.927 -3.844 1.00 0.00 C ATOM 1765 CG2 ILE A 117 -7.673 6.459 -5.657 1.00 0.00 C ATOM 1766 CD1 ILE A 117 -5.276 7.651 -4.078 1.00 0.00 C ATOM 0 H ILE A 117 -8.546 6.548 -1.668 1.00 0.00 H new ATOM 0 HA ILE A 117 -9.464 7.918 -4.107 1.00 0.00 H new ATOM 0 HB ILE A 117 -7.262 5.856 -3.655 1.00 0.00 H new ATOM 0 HG12 ILE A 117 -7.047 8.777 -4.456 1.00 0.00 H new ATOM 0 HG13 ILE A 117 -6.889 8.216 -2.803 1.00 0.00 H new ATOM 0 HG21 ILE A 117 -6.657 6.270 -6.004 1.00 0.00 H new ATOM 0 HG22 ILE A 117 -8.293 5.585 -5.857 1.00 0.00 H new ATOM 0 HG23 ILE A 117 -8.081 7.322 -6.183 1.00 0.00 H new ATOM 0 HD11 ILE A 117 -4.695 8.540 -3.832 1.00 0.00 H new ATOM 0 HD12 ILE A 117 -4.956 6.822 -3.446 1.00 0.00 H new ATOM 0 HD13 ILE A 117 -5.117 7.391 -5.125 1.00 0.00 H new ATOM 1778 N THR A 118 -10.026 4.812 -3.188 1.00 0.00 N ATOM 1779 CA THR A 118 -10.855 3.641 -3.455 1.00 0.00 C ATOM 1780 C THR A 118 -12.176 3.712 -2.694 1.00 0.00 C ATOM 1781 O THR A 118 -13.250 3.728 -3.296 1.00 0.00 O ATOM 1782 CB THR A 118 -10.127 2.338 -3.074 1.00 0.00 C ATOM 1783 OG1 THR A 118 -9.730 2.380 -1.699 1.00 0.00 O ATOM 1784 CG2 THR A 118 -8.905 2.125 -3.954 1.00 0.00 C ATOM 0 H THR A 118 -9.492 4.764 -2.321 1.00 0.00 H new ATOM 0 HA THR A 118 -11.057 3.637 -4.526 1.00 0.00 H new ATOM 0 HB THR A 118 -10.815 1.506 -3.226 1.00 0.00 H new ATOM 0 HG1 THR A 118 -8.972 2.993 -1.596 1.00 0.00 H new ATOM 0 HG21 THR A 118 -8.407 1.199 -3.667 1.00 0.00 H new ATOM 0 HG22 THR A 118 -9.214 2.062 -4.997 1.00 0.00 H new ATOM 0 HG23 THR A 118 -8.217 2.961 -3.829 1.00 0.00 H new ATOM 1792 N TRP A 119 -12.084 3.752 -1.370 1.00 0.00 N ATOM 1793 CA TRP A 119 -13.265 3.820 -0.517 1.00 0.00 C ATOM 1794 C TRP A 119 -14.119 5.041 -0.856 1.00 0.00 C ATOM 1795 O TRP A 119 -15.326 5.052 -0.613 1.00 0.00 O ATOM 1796 CB TRP A 119 -12.841 3.862 0.952 1.00 0.00 C ATOM 1797 CG TRP A 119 -13.979 4.039 1.908 1.00 0.00 C ATOM 1798 CD1 TRP A 119 -14.162 5.075 2.775 1.00 0.00 C ATOM 1799 CD2 TRP A 119 -15.091 3.156 2.094 1.00 0.00 C ATOM 1800 NE1 TRP A 119 -15.317 4.891 3.494 1.00 0.00 N ATOM 1801 CE2 TRP A 119 -15.907 3.721 3.093 1.00 0.00 C ATOM 1802 CE3 TRP A 119 -15.477 1.944 1.515 1.00 0.00 C ATOM 1803 CZ2 TRP A 119 -17.085 3.115 3.524 1.00 0.00 C ATOM 1804 CZ3 TRP A 119 -16.646 1.343 1.944 1.00 0.00 C ATOM 1805 CH2 TRP A 119 -17.437 1.929 2.939 1.00 0.00 C ATOM 0 H TRP A 119 -11.200 3.738 -0.862 1.00 0.00 H new ATOM 0 HA TRP A 119 -13.868 2.929 -0.693 1.00 0.00 H new ATOM 0 HB2 TRP A 119 -12.316 2.938 1.195 1.00 0.00 H new ATOM 0 HB3 TRP A 119 -12.132 4.678 1.092 1.00 0.00 H new ATOM 0 HD1 TRP A 119 -13.495 5.918 2.881 1.00 0.00 H new ATOM 0 HE1 TRP A 119 -15.677 5.522 4.210 1.00 0.00 H new ATOM 0 HE3 TRP A 119 -14.873 1.485 0.746 1.00 0.00 H new ATOM 0 HZ2 TRP A 119 -17.698 3.565 4.291 1.00 0.00 H new ATOM 0 HZ3 TRP A 119 -16.954 0.406 1.504 1.00 0.00 H new ATOM 0 HH2 TRP A 119 -18.345 1.434 3.252 1.00 0.00 H new ATOM 1816 N LYS A 120 -13.486 6.064 -1.421 1.00 0.00 N ATOM 1817 CA LYS A 120 -14.188 7.287 -1.793 1.00 0.00 C ATOM 1818 C LYS A 120 -14.281 7.424 -3.309 1.00 0.00 C ATOM 1819 O LYS A 120 -13.318 7.153 -4.026 1.00 0.00 O ATOM 1820 CB LYS A 120 -13.479 8.508 -1.201 1.00 0.00 C ATOM 1821 CG LYS A 120 -13.401 8.493 0.320 1.00 0.00 C ATOM 1822 CD LYS A 120 -14.782 8.566 0.956 1.00 0.00 C ATOM 1823 CE LYS A 120 -15.461 9.898 0.676 1.00 0.00 C ATOM 1824 NZ LYS A 120 -14.673 11.046 1.203 1.00 0.00 N ATOM 0 H LYS A 120 -12.488 6.070 -1.631 1.00 0.00 H new ATOM 0 HA LYS A 120 -15.199 7.231 -1.390 1.00 0.00 H new ATOM 0 HB2 LYS A 120 -12.469 8.563 -1.607 1.00 0.00 H new ATOM 0 HB3 LYS A 120 -14.001 9.410 -1.520 1.00 0.00 H new ATOM 0 HG2 LYS A 120 -12.896 7.585 0.649 1.00 0.00 H new ATOM 0 HG3 LYS A 120 -12.798 9.334 0.662 1.00 0.00 H new ATOM 0 HD2 LYS A 120 -15.402 7.754 0.574 1.00 0.00 H new ATOM 0 HD3 LYS A 120 -14.695 8.421 2.033 1.00 0.00 H new ATOM 0 HE2 LYS A 120 -15.599 10.016 -0.399 1.00 0.00 H new ATOM 0 HE3 LYS A 120 -16.453 9.901 1.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 -15.276 11.893 1.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 -14.331 10.822 2.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 -13.861 11.226 0.578 1.00 0.00 H new ATOM 1838 N ILE A 121 -15.447 7.844 -3.790 1.00 0.00 N ATOM 1839 CA ILE A 121 -15.667 8.018 -5.221 1.00 0.00 C ATOM 1840 C ILE A 121 -16.383 9.334 -5.508 1.00 0.00 C ATOM 1841 O ILE A 121 -17.568 9.485 -5.211 1.00 0.00 O ATOM 1842 CB ILE A 121 -16.495 6.856 -5.809 1.00 0.00 C ATOM 1843 CG1 ILE A 121 -15.812 5.517 -5.518 1.00 0.00 C ATOM 1844 CG2 ILE A 121 -16.686 7.046 -7.308 1.00 0.00 C ATOM 1845 CD1 ILE A 121 -16.630 4.313 -5.937 1.00 0.00 C ATOM 0 H ILE A 121 -16.254 8.070 -3.209 1.00 0.00 H new ATOM 0 HA ILE A 121 -14.685 8.029 -5.694 1.00 0.00 H new ATOM 0 HB ILE A 121 -17.477 6.852 -5.336 1.00 0.00 H new ATOM 0 HG12 ILE A 121 -14.852 5.490 -6.033 1.00 0.00 H new ATOM 0 HG13 ILE A 121 -15.604 5.450 -4.450 1.00 0.00 H new ATOM 0 HG21 ILE A 121 -17.272 6.218 -7.708 1.00 0.00 H new ATOM 0 HG22 ILE A 121 -17.210 7.984 -7.492 1.00 0.00 H new ATOM 0 HG23 ILE A 121 -15.713 7.072 -7.798 1.00 0.00 H new ATOM 0 HD11 ILE A 121 -16.083 3.401 -5.700 1.00 0.00 H new ATOM 0 HD12 ILE A 121 -17.580 4.315 -5.403 1.00 0.00 H new ATOM 0 HD13 ILE A 121 -16.817 4.355 -7.010 1.00 0.00 H new ATOM 1857 N ASP A 122 -15.653 10.284 -6.085 1.00 0.00 N ATOM 1858 CA ASP A 122 -16.217 11.589 -6.413 1.00 0.00 C ATOM 1859 C ASP A 122 -17.366 11.452 -7.408 1.00 0.00 C ATOM 1860 O ASP A 122 -17.403 10.513 -8.203 1.00 0.00 O ATOM 1861 CB ASP A 122 -15.135 12.504 -6.990 1.00 0.00 C ATOM 1862 CG ASP A 122 -13.996 12.737 -6.019 1.00 0.00 C ATOM 1863 OD1 ASP A 122 -13.025 11.952 -6.043 1.00 0.00 O ATOM 1864 OD2 ASP A 122 -14.074 13.705 -5.233 1.00 0.00 O ATOM 0 H ASP A 122 -14.670 10.175 -6.335 1.00 0.00 H new ATOM 0 HA ASP A 122 -16.606 12.030 -5.495 1.00 0.00 H new ATOM 0 HB2 ASP A 122 -14.743 12.064 -7.907 1.00 0.00 H new ATOM 0 HB3 ASP A 122 -15.580 13.462 -7.261 1.00 0.00 H new ATOM 1869 N THR A 123 -18.302 12.395 -7.355 1.00 0.00 N ATOM 1870 CA THR A 123 -19.453 12.381 -8.250 1.00 0.00 C ATOM 1871 C THR A 123 -19.146 13.109 -9.554 1.00 0.00 C ATOM 1872 O THR A 123 -18.569 14.197 -9.548 1.00 0.00 O ATOM 1873 CB THR A 123 -20.685 13.029 -7.592 1.00 0.00 C ATOM 1874 OG1 THR A 123 -20.399 14.391 -7.251 1.00 0.00 O ATOM 1875 CG2 THR A 123 -21.096 12.265 -6.342 1.00 0.00 C ATOM 0 H THR A 123 -18.285 13.178 -6.702 1.00 0.00 H new ATOM 0 HA THR A 123 -19.673 11.335 -8.464 1.00 0.00 H new ATOM 0 HB THR A 123 -21.508 12.998 -8.305 1.00 0.00 H new ATOM 0 HG1 THR A 123 -21.188 14.797 -6.835 1.00 0.00 H new ATOM 0 HG21 THR A 123 -21.968 12.742 -5.895 1.00 0.00 H new ATOM 0 HG22 THR A 123 -21.341 11.237 -6.608 1.00 0.00 H new ATOM 0 HG23 THR A 123 -20.274 12.269 -5.626 1.00 0.00 H new ATOM 1883 N LYS A 124 -19.536 12.503 -10.671 1.00 0.00 N ATOM 1884 CA LYS A 124 -19.304 13.092 -11.984 1.00 0.00 C ATOM 1885 C LYS A 124 -20.281 12.530 -13.013 1.00 0.00 C ATOM 1886 O LYS A 124 -21.351 13.145 -13.209 1.00 0.00 O ATOM 1887 CB LYS A 124 -17.864 12.836 -12.434 1.00 0.00 C ATOM 1888 CG LYS A 124 -17.525 13.459 -13.779 1.00 0.00 C ATOM 1889 CD LYS A 124 -16.079 13.192 -14.174 1.00 0.00 C ATOM 1890 CE LYS A 124 -15.830 11.712 -14.422 1.00 0.00 C ATOM 1891 NZ LYS A 124 -16.694 11.178 -15.511 1.00 0.00 N ATOM 1892 OXT LYS A 124 -19.968 11.480 -13.612 1.00 0.00 O ATOM 0 H LYS A 124 -20.015 11.603 -10.692 1.00 0.00 H new ATOM 0 HA LYS A 124 -19.466 14.167 -11.907 1.00 0.00 H new ATOM 0 HB2 LYS A 124 -17.182 13.228 -11.680 1.00 0.00 H new ATOM 0 HB3 LYS A 124 -17.695 11.761 -12.489 1.00 0.00 H new ATOM 0 HG2 LYS A 124 -18.191 13.059 -14.544 1.00 0.00 H new ATOM 0 HG3 LYS A 124 -17.698 14.534 -13.736 1.00 0.00 H new ATOM 0 HD2 LYS A 124 -15.837 13.758 -15.073 1.00 0.00 H new ATOM 0 HD3 LYS A 124 -15.415 13.546 -13.386 1.00 0.00 H new ATOM 0 HE2 LYS A 124 -14.783 11.559 -14.682 1.00 0.00 H new ATOM 0 HE3 LYS A 124 -16.016 11.154 -13.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 -16.309 10.272 -15.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 -17.658 11.032 -15.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 -16.719 11.856 -16.299 1.00 0.00 H new TER 1906 LYS A 124