USER MOD reduce.3.24.130724 H: found=0, std=0, add=1344, rem=0, adj=44 USER MOD reduce.3.24.130724 removed 1346 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 6 GLN : amide:sc= 0.275 X(o=0.53,f=0.41) USER MOD Set 1.2: B 62 TYR OH : rot 180:sc= 0.257 USER MOD Set 2.1: B 42 SER OG : rot -140:sc= 0.877 USER MOD Set 2.2: B 46 LYS NZ :NH3+ -157:sc= 1.02 (180deg=0.241) USER MOD Set 3.1: A 71 TYR OH : rot 73:sc= 1.23 USER MOD Set 3.2: B 10 LYS NZ :NH3+ -159:sc= 1.26 (180deg=0.609) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.0659 USER MOD Single : A 9 ASN : amide:sc= -0.0849 X(o=-0.085,f=-0.12) USER MOD Single : A 10 LYS NZ :NH3+ -143:sc= 1.16 (180deg=-0.521) USER MOD Single : A 15 LYS NZ :NH3+ -177:sc= 1.08 (180deg=1.05) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0285) USER MOD Single : A 26 LYS NZ :NH3+ 177:sc= 1.14 (180deg=1.06) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 76:sc= 0.794 USER MOD Single : A 39 ASN : amide:sc= 0 K(o=0,f=-0.9) USER MOD Single : A 42 SER OG : rot 54:sc= 1.31 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ -110:sc= 1.24 (180deg=-0.538) USER MOD Single : A 47 THR OG1 : rot 82:sc= 0.146 USER MOD Single : A 50 GLN : amide:sc= -0.0958 X(o=-0.096,f=-0.096) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 57 LYS NZ :NH3+ -131:sc= 1.17 (180deg=-0.293) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 155:sc= 1.15 (180deg=1.01) USER MOD Single : A 73 SER OG : rot 71:sc= 0.994 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 166:sc= -0.0922 (180deg=-0.543) USER MOD Single : A 84 THR OG1 : rot 62:sc= 0.838 USER MOD Single : A 86 SER OG : rot 153:sc= 1.24 USER MOD Single : B 15 LYS NZ :NH3+ 159:sc= 1.14 (180deg=1.05) USER MOD Single : B 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 19 SER OG : rot 75:sc= 0.268 USER MOD Single : B 25 LYS NZ :NH3+ -161:sc= -0.181 (180deg=-0.62) USER MOD Single : B 26 LYS NZ :NH3+ -137:sc= 1.14 (180deg=0.871) USER MOD Single : B 35 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0186) USER MOD Single : B 37 SER OG : rot 77:sc= 0.49 USER MOD Single : B 39 ASN : amide:sc= 1.22 K(o=1.2,f=-0.51) USER MOD Single : B 44 LYS NZ :NH3+ -177:sc= 2.58 (180deg=2.5) USER MOD Single : B 47 THR OG1 : rot -68:sc= 1.16 USER MOD Single : B 50 GLN : amide:sc= -0.646! X(o=-0.65!,f=-0.19) USER MOD Single : B 54 LYS NZ :NH3+ 166:sc=-0.00234 (180deg=-0.14) USER MOD Single : B 56 ASN : amide:sc= -0.305 X(o=-0.3,f=-0.28) USER MOD Single : B 57 LYS NZ :NH3+ 134:sc= -0.772! (180deg=-2.1!) USER MOD Single : B 63 THR OG1 : rot 56:sc= 0.246 USER MOD Single : B 64 TYR OH : rot 180:sc= 0 USER MOD Single : B 69 LYS NZ :NH3+ -147:sc= 1.23 (180deg=-0.197) USER MOD Single : B 71 TYR OH : rot 15:sc= -0.49 USER MOD Single : B 73 SER OG : rot 71:sc= 0.704 USER MOD Single : B 76 SER OG : rot 180:sc= -0.0112 USER MOD Single : B 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 80 LYS NZ :NH3+ 166:sc= -0.106 (180deg=-0.509) USER MOD Single : B 84 THR OG1 : rot 74:sc= 1.24 USER MOD Single : B 86 SER OG : rot 166:sc= 1.27 USER MOD ----------------------------------------------------------------- ATOM 77 N GLN A 6 -20.594 13.609 -5.769 1.00 1.91 N ATOM 78 CA GLN A 6 -20.164 12.261 -6.115 1.00 1.87 C ATOM 79 C GLN A 6 -19.009 12.288 -7.116 1.00 1.83 C ATOM 80 O GLN A 6 -18.028 11.563 -6.962 1.00 1.77 O ATOM 81 CB GLN A 6 -21.347 11.480 -6.696 1.00 1.89 C ATOM 82 CG GLN A 6 -21.010 10.050 -7.096 1.00 1.95 C ATOM 83 CD GLN A 6 -22.027 9.045 -6.583 1.00 1.96 C ATOM 84 OE1 GLN A 6 -23.037 8.773 -7.236 1.00 2.22 O ATOM 85 NE2 GLN A 6 -21.758 8.480 -5.416 1.00 2.13 N ATOM 0 HA GLN A 6 -19.810 11.768 -5.210 1.00 1.87 H new ATOM 0 HB2 GLN A 6 -22.152 11.461 -5.961 1.00 1.89 H new ATOM 0 HB3 GLN A 6 -21.725 12.011 -7.569 1.00 1.89 H new ATOM 0 HG2 GLN A 6 -20.956 9.984 -8.183 1.00 1.95 H new ATOM 0 HG3 GLN A 6 -20.023 9.792 -6.711 1.00 1.95 H new ATOM 0 HE21 GLN A 6 -20.910 8.735 -4.909 1.00 2.13 H new ATOM 0 HE22 GLN A 6 -22.399 7.790 -5.024 1.00 2.13 H new ATOM 94 N THR A 7 -19.121 13.133 -8.133 1.00 1.86 N ATOM 95 CA THR A 7 -18.083 13.230 -9.150 1.00 1.83 C ATOM 96 C THR A 7 -16.798 13.840 -8.592 1.00 1.79 C ATOM 97 O THR A 7 -15.699 13.439 -8.975 1.00 1.71 O ATOM 98 CB THR A 7 -18.568 14.041 -10.365 1.00 1.88 C ATOM 99 OG1 THR A 7 -19.431 15.097 -9.932 1.00 2.15 O ATOM 100 CG2 THR A 7 -19.303 13.142 -11.351 1.00 1.95 C ATOM 0 H THR A 7 -19.915 13.757 -8.275 1.00 1.86 H new ATOM 0 HA THR A 7 -17.862 12.213 -9.474 1.00 1.83 H new ATOM 0 HB THR A 7 -17.699 14.468 -10.866 1.00 1.88 H new ATOM 0 HG1 THR A 7 -19.735 15.611 -10.709 1.00 2.15 H new ATOM 0 HG21 THR A 7 -19.638 13.734 -12.203 1.00 1.95 H new ATOM 0 HG22 THR A 7 -18.632 12.356 -11.697 1.00 1.95 H new ATOM 0 HG23 THR A 7 -20.166 12.692 -10.860 1.00 1.95 H new ATOM 108 N ARG A 8 -16.938 14.801 -7.682 1.00 1.84 N ATOM 109 CA ARG A 8 -15.784 15.450 -7.069 1.00 1.82 C ATOM 110 C ARG A 8 -15.060 14.470 -6.148 1.00 1.75 C ATOM 111 O ARG A 8 -13.829 14.425 -6.115 1.00 1.69 O ATOM 112 CB ARG A 8 -16.228 16.723 -6.316 1.00 1.94 C ATOM 113 CG ARG A 8 -15.330 17.164 -5.157 1.00 2.03 C ATOM 114 CD ARG A 8 -13.887 17.448 -5.578 1.00 2.06 C ATOM 115 NE ARG A 8 -13.764 17.927 -6.954 1.00 2.06 N ATOM 116 CZ ARG A 8 -12.845 17.472 -7.809 1.00 2.08 C ATOM 117 NH1 ARG A 8 -11.974 16.543 -7.419 1.00 2.10 N ATOM 118 NH2 ARG A 8 -12.791 17.952 -9.050 1.00 2.22 N ATOM 0 H ARG A 8 -17.840 15.147 -7.353 1.00 1.84 H new ATOM 0 HA ARG A 8 -15.083 15.754 -7.846 1.00 1.82 H new ATOM 0 HB2 ARG A 8 -16.291 17.542 -7.033 1.00 1.94 H new ATOM 0 HB3 ARG A 8 -17.234 16.560 -5.929 1.00 1.94 H new ATOM 0 HG2 ARG A 8 -15.751 18.061 -4.702 1.00 2.03 H new ATOM 0 HG3 ARG A 8 -15.331 16.388 -4.391 1.00 2.03 H new ATOM 0 HD2 ARG A 8 -13.460 18.190 -4.904 1.00 2.06 H new ATOM 0 HD3 ARG A 8 -13.298 16.538 -5.465 1.00 2.06 H new ATOM 0 HE ARG A 8 -14.413 18.645 -7.277 1.00 2.06 H new ATOM 0 HH11 ARG A 8 -12.009 16.179 -6.467 1.00 2.10 H new ATOM 0 HH12 ARG A 8 -11.272 16.196 -8.072 1.00 2.10 H new ATOM 0 HH21 ARG A 8 -13.452 18.669 -9.349 1.00 2.22 H new ATOM 0 HH22 ARG A 8 -12.088 17.603 -9.702 1.00 2.22 H new ATOM 132 N ASN A 9 -15.827 13.666 -5.423 1.00 1.76 N ATOM 133 CA ASN A 9 -15.255 12.678 -4.512 1.00 1.72 C ATOM 134 C ASN A 9 -14.529 11.589 -5.306 1.00 1.61 C ATOM 135 O ASN A 9 -13.390 11.230 -5.000 1.00 1.56 O ATOM 136 CB ASN A 9 -16.351 12.064 -3.630 1.00 1.78 C ATOM 137 CG ASN A 9 -15.902 10.806 -2.903 1.00 1.75 C ATOM 138 OD1 ASN A 9 -16.053 9.696 -3.415 1.00 1.75 O ATOM 139 ND2 ASN A 9 -15.357 10.966 -1.705 1.00 1.84 N ATOM 0 H ASN A 9 -16.847 13.677 -5.447 1.00 1.76 H new ATOM 0 HA ASN A 9 -14.534 13.175 -3.863 1.00 1.72 H new ATOM 0 HB2 ASN A 9 -16.675 12.803 -2.897 1.00 1.78 H new ATOM 0 HB3 ASN A 9 -17.217 11.828 -4.249 1.00 1.78 H new ATOM 0 HD21 ASN A 9 -15.046 10.153 -1.174 1.00 1.84 H new ATOM 0 HD22 ASN A 9 -15.249 11.902 -1.315 1.00 1.84 H new ATOM 146 N LYS A 10 -15.199 11.097 -6.345 1.00 1.60 N ATOM 147 CA LYS A 10 -14.661 10.046 -7.210 1.00 1.52 C ATOM 148 C LYS A 10 -13.333 10.458 -7.852 1.00 1.47 C ATOM 149 O LYS A 10 -12.356 9.704 -7.818 1.00 1.41 O ATOM 150 CB LYS A 10 -15.690 9.708 -8.298 1.00 1.53 C ATOM 151 CG LYS A 10 -15.125 8.968 -9.506 1.00 1.59 C ATOM 152 CD LYS A 10 -14.958 7.490 -9.225 1.00 1.70 C ATOM 153 CE LYS A 10 -14.200 6.792 -10.345 1.00 2.07 C ATOM 154 NZ LYS A 10 -14.952 6.806 -11.632 1.00 2.48 N ATOM 0 H LYS A 10 -16.131 11.415 -6.613 1.00 1.60 H new ATOM 0 HA LYS A 10 -14.465 9.168 -6.595 1.00 1.52 H new ATOM 0 HB2 LYS A 10 -16.480 9.101 -7.855 1.00 1.53 H new ATOM 0 HB3 LYS A 10 -16.153 10.634 -8.641 1.00 1.53 H new ATOM 0 HG2 LYS A 10 -15.789 9.104 -10.360 1.00 1.59 H new ATOM 0 HG3 LYS A 10 -14.162 9.398 -9.779 1.00 1.59 H new ATOM 0 HD2 LYS A 10 -14.424 7.355 -8.284 1.00 1.70 H new ATOM 0 HD3 LYS A 10 -15.938 7.028 -9.105 1.00 1.70 H new ATOM 0 HE2 LYS A 10 -13.235 7.279 -10.486 1.00 2.07 H new ATOM 0 HE3 LYS A 10 -13.998 5.761 -10.056 1.00 2.07 H new ATOM 0 HZ1 LYS A 10 -14.800 5.907 -12.132 1.00 2.48 H new ATOM 0 HZ2 LYS A 10 -15.967 6.929 -11.440 1.00 2.48 H new ATOM 0 HZ3 LYS A 10 -14.614 7.592 -12.223 1.00 2.48 H new ATOM 168 N GLU A 11 -13.310 11.655 -8.426 1.00 1.52 N ATOM 169 CA GLU A 11 -12.122 12.180 -9.097 1.00 1.50 C ATOM 170 C GLU A 11 -10.966 12.372 -8.121 1.00 1.45 C ATOM 171 O GLU A 11 -9.823 12.011 -8.415 1.00 1.38 O ATOM 172 CB GLU A 11 -12.462 13.513 -9.783 1.00 1.58 C ATOM 173 CG GLU A 11 -11.329 14.096 -10.610 1.00 1.63 C ATOM 174 CD GLU A 11 -10.861 15.433 -10.077 1.00 1.77 C ATOM 175 OE1 GLU A 11 -10.150 15.450 -9.052 1.00 1.90 O ATOM 176 OE2 GLU A 11 -11.210 16.476 -10.662 1.00 1.96 O ATOM 0 H GLU A 11 -14.109 12.288 -8.441 1.00 1.52 H new ATOM 0 HA GLU A 11 -11.806 11.453 -9.845 1.00 1.50 H new ATOM 0 HB2 GLU A 11 -13.329 13.366 -10.428 1.00 1.58 H new ATOM 0 HB3 GLU A 11 -12.750 14.237 -9.021 1.00 1.58 H new ATOM 0 HG2 GLU A 11 -10.492 13.398 -10.620 1.00 1.63 H new ATOM 0 HG3 GLU A 11 -11.658 14.214 -11.642 1.00 1.63 H new ATOM 183 N LEU A 12 -11.276 12.921 -6.954 1.00 1.51 N ATOM 184 CA LEU A 12 -10.271 13.186 -5.936 1.00 1.50 C ATOM 185 C LEU A 12 -9.533 11.924 -5.517 1.00 1.40 C ATOM 186 O LEU A 12 -8.316 11.831 -5.677 1.00 1.33 O ATOM 187 CB LEU A 12 -10.923 13.825 -4.711 1.00 1.62 C ATOM 188 CG LEU A 12 -9.954 14.207 -3.588 1.00 1.65 C ATOM 189 CD1 LEU A 12 -9.203 15.481 -3.941 1.00 1.69 C ATOM 190 CD2 LEU A 12 -10.696 14.362 -2.269 1.00 1.82 C ATOM 0 H LEU A 12 -12.223 13.193 -6.689 1.00 1.51 H new ATOM 0 HA LEU A 12 -9.542 13.870 -6.371 1.00 1.50 H new ATOM 0 HB2 LEU A 12 -11.459 14.720 -5.028 1.00 1.62 H new ATOM 0 HB3 LEU A 12 -11.665 13.134 -4.311 1.00 1.62 H new ATOM 0 HG LEU A 12 -9.226 13.404 -3.474 1.00 1.65 H new ATOM 0 HD11 LEU A 12 -8.519 15.737 -3.131 1.00 1.69 H new ATOM 0 HD12 LEU A 12 -8.636 15.327 -4.859 1.00 1.69 H new ATOM 0 HD13 LEU A 12 -9.914 16.294 -4.086 1.00 1.69 H new ATOM 0 HD21 LEU A 12 -9.990 14.633 -1.484 1.00 1.82 H new ATOM 0 HD22 LEU A 12 -11.450 15.143 -2.365 1.00 1.82 H new ATOM 0 HD23 LEU A 12 -11.181 13.420 -2.011 1.00 1.82 H new ATOM 202 N LEU A 13 -10.270 10.946 -5.003 1.00 1.41 N ATOM 203 CA LEU A 13 -9.664 9.706 -4.532 1.00 1.35 C ATOM 204 C LEU A 13 -8.993 8.938 -5.670 1.00 1.23 C ATOM 205 O LEU A 13 -8.026 8.213 -5.444 1.00 1.18 O ATOM 206 CB LEU A 13 -10.700 8.837 -3.808 1.00 1.43 C ATOM 207 CG LEU A 13 -11.373 7.749 -4.643 1.00 1.43 C ATOM 208 CD1 LEU A 13 -11.102 6.380 -4.041 1.00 1.81 C ATOM 209 CD2 LEU A 13 -12.867 8.004 -4.740 1.00 1.76 C ATOM 0 H LEU A 13 -11.284 10.987 -4.902 1.00 1.41 H new ATOM 0 HA LEU A 13 -8.883 9.968 -3.818 1.00 1.35 H new ATOM 0 HB2 LEU A 13 -10.213 8.362 -2.956 1.00 1.43 H new ATOM 0 HB3 LEU A 13 -11.476 9.491 -3.408 1.00 1.43 H new ATOM 0 HG LEU A 13 -10.955 7.773 -5.649 1.00 1.43 H new ATOM 0 HD11 LEU A 13 -11.587 5.614 -4.646 1.00 1.81 H new ATOM 0 HD12 LEU A 13 -10.027 6.198 -4.019 1.00 1.81 H new ATOM 0 HD13 LEU A 13 -11.497 6.344 -3.026 1.00 1.81 H new ATOM 0 HD21 LEU A 13 -13.332 7.220 -5.338 1.00 1.76 H new ATOM 0 HD22 LEU A 13 -13.302 8.004 -3.740 1.00 1.76 H new ATOM 0 HD23 LEU A 13 -13.041 8.971 -5.211 1.00 1.76 H new ATOM 221 N LEU A 14 -9.496 9.110 -6.889 1.00 1.21 N ATOM 222 CA LEU A 14 -8.926 8.437 -8.047 1.00 1.13 C ATOM 223 C LEU A 14 -7.492 8.903 -8.280 1.00 1.11 C ATOM 224 O LEU A 14 -6.573 8.088 -8.399 1.00 1.04 O ATOM 225 CB LEU A 14 -9.773 8.696 -9.297 1.00 1.16 C ATOM 226 CG LEU A 14 -9.488 7.759 -10.474 1.00 1.09 C ATOM 227 CD1 LEU A 14 -9.919 6.336 -10.149 1.00 1.11 C ATOM 228 CD2 LEU A 14 -10.192 8.252 -11.727 1.00 1.23 C ATOM 0 H LEU A 14 -10.295 9.708 -7.098 1.00 1.21 H new ATOM 0 HA LEU A 14 -8.921 7.365 -7.849 1.00 1.13 H new ATOM 0 HB2 LEU A 14 -10.826 8.609 -9.029 1.00 1.16 H new ATOM 0 HB3 LEU A 14 -9.610 9.724 -9.622 1.00 1.16 H new ATOM 0 HG LEU A 14 -8.413 7.757 -10.656 1.00 1.09 H new ATOM 0 HD11 LEU A 14 -9.707 5.688 -11.000 1.00 1.11 H new ATOM 0 HD12 LEU A 14 -9.371 5.980 -9.276 1.00 1.11 H new ATOM 0 HD13 LEU A 14 -10.988 6.319 -9.938 1.00 1.11 H new ATOM 0 HD21 LEU A 14 -9.979 7.575 -12.554 1.00 1.23 H new ATOM 0 HD22 LEU A 14 -11.267 8.284 -11.552 1.00 1.23 H new ATOM 0 HD23 LEU A 14 -9.835 9.252 -11.975 1.00 1.23 H new ATOM 240 N LYS A 15 -7.303 10.217 -8.308 1.00 1.19 N ATOM 241 CA LYS A 15 -5.982 10.797 -8.522 1.00 1.19 C ATOM 242 C LYS A 15 -5.093 10.575 -7.304 1.00 1.14 C ATOM 243 O LYS A 15 -3.875 10.454 -7.429 1.00 1.09 O ATOM 244 CB LYS A 15 -6.100 12.294 -8.830 1.00 1.32 C ATOM 245 CG LYS A 15 -6.644 12.581 -10.224 1.00 1.56 C ATOM 246 CD LYS A 15 -7.601 13.768 -10.230 1.00 1.68 C ATOM 247 CE LYS A 15 -6.890 15.083 -9.955 1.00 1.70 C ATOM 248 NZ LYS A 15 -7.814 16.247 -10.074 1.00 1.93 N ATOM 0 H LYS A 15 -8.049 10.902 -8.185 1.00 1.19 H new ATOM 0 HA LYS A 15 -5.524 10.300 -9.377 1.00 1.19 H new ATOM 0 HB2 LYS A 15 -6.751 12.760 -8.090 1.00 1.32 H new ATOM 0 HB3 LYS A 15 -5.119 12.757 -8.728 1.00 1.32 H new ATOM 0 HG2 LYS A 15 -5.815 12.780 -10.903 1.00 1.56 H new ATOM 0 HG3 LYS A 15 -7.159 11.698 -10.601 1.00 1.56 H new ATOM 0 HD2 LYS A 15 -8.102 13.823 -11.197 1.00 1.68 H new ATOM 0 HD3 LYS A 15 -8.375 13.612 -9.479 1.00 1.68 H new ATOM 0 HE2 LYS A 15 -6.460 15.061 -8.954 1.00 1.70 H new ATOM 0 HE3 LYS A 15 -6.063 15.202 -10.655 1.00 1.70 H new ATOM 0 HZ1 LYS A 15 -7.282 17.129 -9.930 1.00 1.93 H new ATOM 0 HZ2 LYS A 15 -8.244 16.253 -11.021 1.00 1.93 H new ATOM 0 HZ3 LYS A 15 -8.561 16.172 -9.355 1.00 1.93 H new ATOM 262 N LYS A 16 -5.716 10.513 -6.129 1.00 1.17 N ATOM 263 CA LYS A 16 -4.990 10.297 -4.882 1.00 1.16 C ATOM 264 C LYS A 16 -4.289 8.948 -4.896 1.00 1.04 C ATOM 265 O LYS A 16 -3.154 8.836 -4.453 1.00 1.05 O ATOM 266 CB LYS A 16 -5.930 10.370 -3.673 1.00 1.26 C ATOM 267 CG LYS A 16 -6.375 11.781 -3.320 1.00 1.32 C ATOM 268 CD LYS A 16 -5.265 12.569 -2.646 1.00 1.30 C ATOM 269 CE LYS A 16 -5.734 13.960 -2.258 1.00 1.50 C ATOM 270 NZ LYS A 16 -4.768 14.645 -1.363 1.00 1.62 N ATOM 0 H LYS A 16 -6.725 10.610 -6.016 1.00 1.17 H new ATOM 0 HA LYS A 16 -4.246 11.089 -4.796 1.00 1.16 H new ATOM 0 HB2 LYS A 16 -6.812 9.762 -3.874 1.00 1.26 H new ATOM 0 HB3 LYS A 16 -5.430 9.931 -2.810 1.00 1.26 H new ATOM 0 HG2 LYS A 16 -6.691 12.300 -4.225 1.00 1.32 H new ATOM 0 HG3 LYS A 16 -7.241 11.735 -2.660 1.00 1.32 H new ATOM 0 HD2 LYS A 16 -4.925 12.036 -1.758 1.00 1.30 H new ATOM 0 HD3 LYS A 16 -4.410 12.645 -3.318 1.00 1.30 H new ATOM 0 HE2 LYS A 16 -5.880 14.557 -3.158 1.00 1.50 H new ATOM 0 HE3 LYS A 16 -6.702 13.890 -1.761 1.00 1.50 H new ATOM 0 HZ1 LYS A 16 -5.128 15.591 -1.123 1.00 1.62 H new ATOM 0 HZ2 LYS A 16 -4.647 14.089 -0.492 1.00 1.62 H new ATOM 0 HZ3 LYS A 16 -3.851 14.735 -1.846 1.00 1.62 H new ATOM 284 N ILE A 17 -4.969 7.935 -5.419 1.00 0.96 N ATOM 285 CA ILE A 17 -4.412 6.588 -5.482 1.00 0.88 C ATOM 286 C ILE A 17 -3.411 6.455 -6.624 1.00 0.85 C ATOM 287 O ILE A 17 -2.390 5.773 -6.490 1.00 0.83 O ATOM 288 CB ILE A 17 -5.529 5.531 -5.629 1.00 0.85 C ATOM 289 CG1 ILE A 17 -6.485 5.630 -4.435 1.00 1.01 C ATOM 290 CG2 ILE A 17 -4.941 4.127 -5.729 1.00 0.89 C ATOM 291 CD1 ILE A 17 -7.684 4.714 -4.523 1.00 1.02 C ATOM 0 H ILE A 17 -5.909 8.020 -5.806 1.00 0.96 H new ATOM 0 HA ILE A 17 -3.887 6.410 -4.543 1.00 0.88 H new ATOM 0 HB ILE A 17 -6.080 5.726 -6.549 1.00 0.85 H new ATOM 0 HG12 ILE A 17 -5.934 5.402 -3.523 1.00 1.01 H new ATOM 0 HG13 ILE A 17 -6.834 6.659 -4.348 1.00 1.01 H new ATOM 0 HG21 ILE A 17 -5.748 3.401 -5.832 1.00 0.89 H new ATOM 0 HG22 ILE A 17 -4.287 4.068 -6.599 1.00 0.89 H new ATOM 0 HG23 ILE A 17 -4.368 3.907 -4.828 1.00 0.89 H new ATOM 0 HD11 ILE A 17 -8.309 4.846 -3.640 1.00 1.02 H new ATOM 0 HD12 ILE A 17 -8.262 4.955 -5.415 1.00 1.02 H new ATOM 0 HD13 ILE A 17 -7.348 3.679 -4.578 1.00 1.02 H new ATOM 303 N ASP A 18 -3.685 7.130 -7.736 1.00 0.90 N ATOM 304 CA ASP A 18 -2.800 7.089 -8.901 1.00 0.93 C ATOM 305 C ASP A 18 -1.398 7.559 -8.526 1.00 0.93 C ATOM 306 O ASP A 18 -0.403 6.873 -8.773 1.00 0.93 O ATOM 307 CB ASP A 18 -3.355 7.964 -10.026 1.00 1.04 C ATOM 308 CG ASP A 18 -2.431 8.023 -11.226 1.00 1.20 C ATOM 309 OD1 ASP A 18 -2.498 7.110 -12.081 1.00 1.66 O ATOM 310 OD2 ASP A 18 -1.634 8.978 -11.327 1.00 1.62 O ATOM 0 H ASP A 18 -4.513 7.713 -7.857 1.00 0.90 H new ATOM 0 HA ASP A 18 -2.745 6.057 -9.249 1.00 0.93 H new ATOM 0 HB2 ASP A 18 -4.325 7.577 -10.337 1.00 1.04 H new ATOM 0 HB3 ASP A 18 -3.520 8.973 -9.649 1.00 1.04 H new ATOM 315 N SER A 19 -1.337 8.726 -7.907 1.00 0.99 N ATOM 316 CA SER A 19 -0.072 9.304 -7.479 1.00 1.03 C ATOM 317 C SER A 19 0.485 8.566 -6.266 1.00 0.96 C ATOM 318 O SER A 19 1.698 8.531 -6.059 1.00 0.96 O ATOM 319 CB SER A 19 -0.250 10.784 -7.154 1.00 1.17 C ATOM 320 OG SER A 19 -0.839 11.477 -8.241 1.00 1.28 O ATOM 0 H SER A 19 -2.154 9.296 -7.688 1.00 0.99 H new ATOM 0 HA SER A 19 0.640 9.202 -8.298 1.00 1.03 H new ATOM 0 HB2 SER A 19 -0.875 10.892 -6.268 1.00 1.17 H new ATOM 0 HB3 SER A 19 0.718 11.227 -6.918 1.00 1.17 H new ATOM 0 HG SER A 19 -0.944 12.423 -8.007 1.00 1.28 H new ATOM 326 N LEU A 20 -0.413 7.994 -5.466 1.00 0.92 N ATOM 327 CA LEU A 20 -0.041 7.270 -4.252 1.00 0.90 C ATOM 328 C LEU A 20 0.983 6.175 -4.546 1.00 0.84 C ATOM 329 O LEU A 20 2.066 6.155 -3.962 1.00 0.86 O ATOM 330 CB LEU A 20 -1.294 6.654 -3.624 1.00 0.92 C ATOM 331 CG LEU A 20 -1.153 6.157 -2.193 1.00 1.01 C ATOM 332 CD1 LEU A 20 -1.640 7.228 -1.232 1.00 1.37 C ATOM 333 CD2 LEU A 20 -1.931 4.866 -2.026 1.00 1.14 C ATOM 0 H LEU A 20 -1.418 8.019 -5.641 1.00 0.92 H new ATOM 0 HA LEU A 20 0.415 7.976 -3.558 1.00 0.90 H new ATOM 0 HB2 LEU A 20 -2.092 7.396 -3.652 1.00 0.92 H new ATOM 0 HB3 LEU A 20 -1.614 5.819 -4.247 1.00 0.92 H new ATOM 0 HG LEU A 20 -0.106 5.953 -1.969 1.00 1.01 H new ATOM 0 HD11 LEU A 20 -1.538 6.871 -0.207 1.00 1.37 H new ATOM 0 HD12 LEU A 20 -1.044 8.132 -1.362 1.00 1.37 H new ATOM 0 HD13 LEU A 20 -2.687 7.451 -1.436 1.00 1.37 H new ATOM 0 HD21 LEU A 20 -1.830 4.510 -1.001 1.00 1.14 H new ATOM 0 HD22 LEU A 20 -2.984 5.044 -2.246 1.00 1.14 H new ATOM 0 HD23 LEU A 20 -1.540 4.114 -2.711 1.00 1.14 H new ATOM 345 N ILE A 21 0.662 5.300 -5.487 1.00 0.80 N ATOM 346 CA ILE A 21 1.574 4.215 -5.845 1.00 0.79 C ATOM 347 C ILE A 21 2.809 4.750 -6.561 1.00 0.81 C ATOM 348 O ILE A 21 3.889 4.170 -6.467 1.00 0.83 O ATOM 349 CB ILE A 21 0.890 3.139 -6.718 1.00 0.81 C ATOM 350 CG1 ILE A 21 0.310 3.746 -8.005 1.00 1.06 C ATOM 351 CG2 ILE A 21 -0.199 2.435 -5.918 1.00 1.04 C ATOM 352 CD1 ILE A 21 -0.284 2.718 -8.949 1.00 1.23 C ATOM 0 H ILE A 21 -0.212 5.315 -6.013 1.00 0.80 H new ATOM 0 HA ILE A 21 1.878 3.745 -4.910 1.00 0.79 H new ATOM 0 HB ILE A 21 1.644 2.408 -7.011 1.00 0.81 H new ATOM 0 HG12 ILE A 21 -0.460 4.471 -7.740 1.00 1.06 H new ATOM 0 HG13 ILE A 21 1.097 4.293 -8.525 1.00 1.06 H new ATOM 0 HG21 ILE A 21 -0.676 1.678 -6.541 1.00 1.04 H new ATOM 0 HG22 ILE A 21 0.243 1.959 -5.043 1.00 1.04 H new ATOM 0 HG23 ILE A 21 -0.944 3.164 -5.598 1.00 1.04 H new ATOM 0 HD11 ILE A 21 -0.674 3.220 -9.835 1.00 1.23 H new ATOM 0 HD12 ILE A 21 0.487 2.007 -9.245 1.00 1.23 H new ATOM 0 HD13 ILE A 21 -1.093 2.188 -8.447 1.00 1.23 H new ATOM 364 N GLU A 22 2.646 5.869 -7.259 1.00 0.84 N ATOM 365 CA GLU A 22 3.743 6.502 -7.984 1.00 0.90 C ATOM 366 C GLU A 22 4.856 6.945 -7.037 1.00 0.90 C ATOM 367 O GLU A 22 6.039 6.754 -7.327 1.00 0.93 O ATOM 368 CB GLU A 22 3.222 7.703 -8.770 1.00 0.98 C ATOM 369 CG GLU A 22 2.768 7.343 -10.169 1.00 1.29 C ATOM 370 CD GLU A 22 3.923 6.888 -11.033 1.00 1.78 C ATOM 371 OE1 GLU A 22 4.808 7.717 -11.326 1.00 2.29 O ATOM 372 OE2 GLU A 22 3.963 5.696 -11.401 1.00 2.22 O ATOM 0 H GLU A 22 1.756 6.361 -7.338 1.00 0.84 H new ATOM 0 HA GLU A 22 4.159 5.767 -8.673 1.00 0.90 H new ATOM 0 HB2 GLU A 22 2.389 8.151 -8.228 1.00 0.98 H new ATOM 0 HB3 GLU A 22 4.006 8.458 -8.831 1.00 0.98 H new ATOM 0 HG2 GLU A 22 2.020 6.552 -10.116 1.00 1.29 H new ATOM 0 HG3 GLU A 22 2.288 8.207 -10.629 1.00 1.29 H new ATOM 379 N ALA A 23 4.465 7.526 -5.907 1.00 0.89 N ATOM 380 CA ALA A 23 5.423 8.008 -4.917 1.00 0.92 C ATOM 381 C ALA A 23 6.162 6.852 -4.253 1.00 0.88 C ATOM 382 O ALA A 23 7.391 6.854 -4.171 1.00 0.89 O ATOM 383 CB ALA A 23 4.713 8.862 -3.872 1.00 0.94 C ATOM 0 H ALA A 23 3.488 7.675 -5.653 1.00 0.89 H new ATOM 0 HA ALA A 23 6.163 8.622 -5.431 1.00 0.92 H new ATOM 0 HB1 ALA A 23 5.437 9.216 -3.138 1.00 0.94 H new ATOM 0 HB2 ALA A 23 4.242 9.716 -4.359 1.00 0.94 H new ATOM 0 HB3 ALA A 23 3.951 8.265 -3.371 1.00 0.94 H new ATOM 389 N ILE A 24 5.408 5.855 -3.802 1.00 0.86 N ATOM 390 CA ILE A 24 5.987 4.687 -3.144 1.00 0.85 C ATOM 391 C ILE A 24 6.917 3.939 -4.101 1.00 0.83 C ATOM 392 O ILE A 24 7.949 3.399 -3.693 1.00 0.83 O ATOM 393 CB ILE A 24 4.875 3.750 -2.614 1.00 0.87 C ATOM 394 CG1 ILE A 24 4.011 4.501 -1.590 1.00 1.12 C ATOM 395 CG2 ILE A 24 5.474 2.497 -1.985 1.00 1.03 C ATOM 396 CD1 ILE A 24 2.568 4.037 -1.533 1.00 1.05 C ATOM 0 H ILE A 24 4.391 5.832 -3.880 1.00 0.86 H new ATOM 0 HA ILE A 24 6.575 5.029 -2.293 1.00 0.85 H new ATOM 0 HB ILE A 24 4.251 3.440 -3.452 1.00 0.87 H new ATOM 0 HG12 ILE A 24 4.457 4.386 -0.602 1.00 1.12 H new ATOM 0 HG13 ILE A 24 4.030 5.565 -1.827 1.00 1.12 H new ATOM 0 HG21 ILE A 24 4.673 1.854 -1.620 1.00 1.03 H new ATOM 0 HG22 ILE A 24 6.059 1.959 -2.731 1.00 1.03 H new ATOM 0 HG23 ILE A 24 6.119 2.780 -1.153 1.00 1.03 H new ATOM 0 HD11 ILE A 24 2.028 4.618 -0.785 1.00 1.05 H new ATOM 0 HD12 ILE A 24 2.102 4.178 -2.508 1.00 1.05 H new ATOM 0 HD13 ILE A 24 2.536 2.981 -1.264 1.00 1.05 H new ATOM 408 N LYS A 25 6.554 3.926 -5.378 1.00 0.83 N ATOM 409 CA LYS A 25 7.361 3.270 -6.395 1.00 0.84 C ATOM 410 C LYS A 25 8.722 3.955 -6.523 1.00 0.86 C ATOM 411 O LYS A 25 9.743 3.301 -6.725 1.00 0.86 O ATOM 412 CB LYS A 25 6.631 3.287 -7.743 1.00 0.88 C ATOM 413 CG LYS A 25 7.383 2.582 -8.859 1.00 0.96 C ATOM 414 CD LYS A 25 7.458 1.081 -8.622 1.00 1.13 C ATOM 415 CE LYS A 25 8.563 0.439 -9.444 1.00 1.39 C ATOM 416 NZ LYS A 25 8.358 0.627 -10.904 1.00 1.61 N ATOM 0 H LYS A 25 5.704 4.364 -5.733 1.00 0.83 H new ATOM 0 HA LYS A 25 7.521 2.234 -6.095 1.00 0.84 H new ATOM 0 HB2 LYS A 25 5.655 2.817 -7.622 1.00 0.88 H new ATOM 0 HB3 LYS A 25 6.453 4.322 -8.036 1.00 0.88 H new ATOM 0 HG2 LYS A 25 6.889 2.776 -9.811 1.00 0.96 H new ATOM 0 HG3 LYS A 25 8.391 2.990 -8.934 1.00 0.96 H new ATOM 0 HD2 LYS A 25 7.632 0.888 -7.564 1.00 1.13 H new ATOM 0 HD3 LYS A 25 6.502 0.624 -8.877 1.00 1.13 H new ATOM 0 HE2 LYS A 25 9.523 0.867 -9.156 1.00 1.39 H new ATOM 0 HE3 LYS A 25 8.608 -0.627 -9.219 1.00 1.39 H new ATOM 0 HZ1 LYS A 25 9.077 0.088 -11.428 1.00 1.61 H new ATOM 0 HZ2 LYS A 25 7.411 0.288 -11.168 1.00 1.61 H new ATOM 0 HZ3 LYS A 25 8.442 1.637 -11.139 1.00 1.61 H new ATOM 430 N LYS A 26 8.724 5.277 -6.399 1.00 0.87 N ATOM 431 CA LYS A 26 9.954 6.050 -6.491 1.00 0.91 C ATOM 432 C LYS A 26 10.854 5.780 -5.285 1.00 0.90 C ATOM 433 O LYS A 26 12.072 5.672 -5.424 1.00 0.91 O ATOM 434 CB LYS A 26 9.639 7.547 -6.579 1.00 0.97 C ATOM 435 CG LYS A 26 10.216 8.233 -7.810 1.00 1.07 C ATOM 436 CD LYS A 26 11.719 8.031 -7.914 1.00 1.21 C ATOM 437 CE LYS A 26 12.332 8.935 -8.970 1.00 1.35 C ATOM 438 NZ LYS A 26 13.748 8.581 -9.244 1.00 1.42 N ATOM 0 H LYS A 26 7.886 5.835 -6.234 1.00 0.87 H new ATOM 0 HA LYS A 26 10.480 5.743 -7.395 1.00 0.91 H new ATOM 0 HB2 LYS A 26 8.557 7.680 -6.576 1.00 0.97 H new ATOM 0 HB3 LYS A 26 10.024 8.041 -5.687 1.00 0.97 H new ATOM 0 HG2 LYS A 26 9.733 7.840 -8.705 1.00 1.07 H new ATOM 0 HG3 LYS A 26 9.994 9.299 -7.770 1.00 1.07 H new ATOM 0 HD2 LYS A 26 12.182 8.233 -6.948 1.00 1.21 H new ATOM 0 HD3 LYS A 26 11.931 6.990 -8.158 1.00 1.21 H new ATOM 0 HE2 LYS A 26 11.754 8.862 -9.891 1.00 1.35 H new ATOM 0 HE3 LYS A 26 12.274 9.972 -8.639 1.00 1.35 H new ATOM 0 HZ1 LYS A 26 14.116 9.186 -10.005 1.00 1.42 H new ATOM 0 HZ2 LYS A 26 14.314 8.724 -8.384 1.00 1.42 H new ATOM 0 HZ3 LYS A 26 13.807 7.584 -9.535 1.00 1.42 H new ATOM 452 N ILE A 27 10.243 5.655 -4.110 1.00 0.88 N ATOM 453 CA ILE A 27 10.984 5.400 -2.875 1.00 0.89 C ATOM 454 C ILE A 27 11.819 4.122 -2.985 1.00 0.87 C ATOM 455 O ILE A 27 12.999 4.102 -2.623 1.00 0.90 O ATOM 456 CB ILE A 27 10.037 5.287 -1.659 1.00 0.90 C ATOM 457 CG1 ILE A 27 9.192 6.562 -1.501 1.00 0.90 C ATOM 458 CG2 ILE A 27 10.831 5.011 -0.386 1.00 0.93 C ATOM 459 CD1 ILE A 27 10.009 7.822 -1.303 1.00 1.31 C ATOM 0 H ILE A 27 9.233 5.726 -3.986 1.00 0.88 H new ATOM 0 HA ILE A 27 11.649 6.250 -2.725 1.00 0.89 H new ATOM 0 HB ILE A 27 9.360 4.451 -1.833 1.00 0.90 H new ATOM 0 HG12 ILE A 27 8.566 6.682 -2.385 1.00 0.90 H new ATOM 0 HG13 ILE A 27 8.522 6.438 -0.650 1.00 0.90 H new ATOM 0 HG21 ILE A 27 10.148 4.935 0.460 1.00 0.93 H new ATOM 0 HG22 ILE A 27 11.380 4.075 -0.495 1.00 0.93 H new ATOM 0 HG23 ILE A 27 11.534 5.826 -0.212 1.00 0.93 H new ATOM 0 HD11 ILE A 27 9.340 8.677 -1.200 1.00 1.31 H new ATOM 0 HD12 ILE A 27 10.615 7.725 -0.402 1.00 1.31 H new ATOM 0 HD13 ILE A 27 10.660 7.973 -2.164 1.00 1.31 H new ATOM 471 N ILE A 28 11.202 3.064 -3.498 1.00 0.83 N ATOM 472 CA ILE A 28 11.886 1.785 -3.664 1.00 0.82 C ATOM 473 C ILE A 28 13.029 1.902 -4.678 1.00 0.83 C ATOM 474 O ILE A 28 14.063 1.247 -4.542 1.00 0.84 O ATOM 475 CB ILE A 28 10.901 0.655 -4.080 1.00 0.82 C ATOM 476 CG1 ILE A 28 11.353 -0.684 -3.500 1.00 0.88 C ATOM 477 CG2 ILE A 28 10.767 0.541 -5.595 1.00 0.88 C ATOM 478 CD1 ILE A 28 11.126 -0.806 -2.010 1.00 1.05 C ATOM 0 H ILE A 28 10.230 3.065 -3.806 1.00 0.83 H new ATOM 0 HA ILE A 28 12.309 1.517 -2.696 1.00 0.82 H new ATOM 0 HB ILE A 28 9.923 0.917 -3.677 1.00 0.82 H new ATOM 0 HG12 ILE A 28 10.820 -1.488 -4.007 1.00 0.88 H new ATOM 0 HG13 ILE A 28 12.414 -0.822 -3.710 1.00 0.88 H new ATOM 0 HG21 ILE A 28 10.070 -0.260 -5.839 1.00 0.88 H new ATOM 0 HG22 ILE A 28 10.394 1.482 -5.999 1.00 0.88 H new ATOM 0 HG23 ILE A 28 11.741 0.320 -6.031 1.00 0.88 H new ATOM 0 HD11 ILE A 28 11.471 -1.782 -1.668 1.00 1.05 H new ATOM 0 HD12 ILE A 28 11.681 -0.024 -1.492 1.00 1.05 H new ATOM 0 HD13 ILE A 28 10.063 -0.701 -1.794 1.00 1.05 H new ATOM 490 N ALA A 29 12.834 2.749 -5.686 1.00 0.84 N ATOM 491 CA ALA A 29 13.835 2.955 -6.725 1.00 0.87 C ATOM 492 C ALA A 29 15.073 3.645 -6.167 1.00 0.90 C ATOM 493 O ALA A 29 16.202 3.251 -6.466 1.00 0.93 O ATOM 494 CB ALA A 29 13.249 3.765 -7.870 1.00 0.90 C ATOM 0 H ALA A 29 11.987 3.305 -5.804 1.00 0.84 H new ATOM 0 HA ALA A 29 14.135 1.978 -7.102 1.00 0.87 H new ATOM 0 HB1 ALA A 29 14.008 3.911 -8.638 1.00 0.90 H new ATOM 0 HB2 ALA A 29 12.399 3.231 -8.296 1.00 0.90 H new ATOM 0 HB3 ALA A 29 12.918 4.735 -7.498 1.00 0.90 H new ATOM 500 N GLU A 30 14.850 4.666 -5.348 1.00 0.93 N ATOM 501 CA GLU A 30 15.939 5.422 -4.745 1.00 0.99 C ATOM 502 C GLU A 30 16.841 4.513 -3.913 1.00 0.99 C ATOM 503 O GLU A 30 18.068 4.583 -4.011 1.00 1.01 O ATOM 504 CB GLU A 30 15.383 6.552 -3.878 1.00 1.06 C ATOM 505 CG GLU A 30 14.649 7.621 -4.671 1.00 1.10 C ATOM 506 CD GLU A 30 15.435 8.076 -5.884 1.00 1.18 C ATOM 507 OE1 GLU A 30 16.579 8.543 -5.716 1.00 1.46 O ATOM 508 OE2 GLU A 30 14.923 7.953 -7.015 1.00 1.25 O ATOM 0 H GLU A 30 13.919 4.990 -5.086 1.00 0.93 H new ATOM 0 HA GLU A 30 16.538 5.853 -5.547 1.00 0.99 H new ATOM 0 HB2 GLU A 30 14.704 6.130 -3.137 1.00 1.06 H new ATOM 0 HB3 GLU A 30 16.203 7.016 -3.331 1.00 1.06 H new ATOM 0 HG2 GLU A 30 13.682 7.233 -4.991 1.00 1.10 H new ATOM 0 HG3 GLU A 30 14.451 8.477 -4.026 1.00 1.10 H new ATOM 515 N PHE A 31 16.224 3.654 -3.104 1.00 0.97 N ATOM 516 CA PHE A 31 16.959 2.721 -2.246 1.00 1.00 C ATOM 517 C PHE A 31 17.900 1.851 -3.074 1.00 0.97 C ATOM 518 O PHE A 31 19.052 1.617 -2.696 1.00 1.00 O ATOM 519 CB PHE A 31 15.984 1.827 -1.472 1.00 1.02 C ATOM 520 CG PHE A 31 15.717 2.288 -0.070 1.00 1.10 C ATOM 521 CD1 PHE A 31 16.527 1.866 0.971 1.00 1.79 C ATOM 522 CD2 PHE A 31 14.650 3.125 0.212 1.00 1.42 C ATOM 523 CE1 PHE A 31 16.281 2.273 2.268 1.00 1.98 C ATOM 524 CE2 PHE A 31 14.399 3.538 1.506 1.00 1.58 C ATOM 525 CZ PHE A 31 15.215 3.111 2.536 1.00 1.54 C ATOM 0 H PHE A 31 15.210 3.583 -3.023 1.00 0.97 H new ATOM 0 HA PHE A 31 17.549 3.306 -1.540 1.00 1.00 H new ATOM 0 HB2 PHE A 31 15.040 1.781 -2.015 1.00 1.02 H new ATOM 0 HB3 PHE A 31 16.383 0.813 -1.441 1.00 1.02 H new ATOM 0 HD1 PHE A 31 17.361 1.211 0.766 1.00 1.79 H new ATOM 0 HD2 PHE A 31 14.007 3.459 -0.589 1.00 1.42 H new ATOM 0 HE1 PHE A 31 16.920 1.937 3.071 1.00 1.98 H new ATOM 0 HE2 PHE A 31 13.566 4.194 1.712 1.00 1.58 H new ATOM 0 HZ PHE A 31 15.020 3.431 3.549 1.00 1.54 H new ATOM 535 N ASP A 32 17.397 1.390 -4.210 1.00 0.93 N ATOM 536 CA ASP A 32 18.166 0.547 -5.116 1.00 0.92 C ATOM 537 C ASP A 32 19.380 1.300 -5.658 1.00 0.92 C ATOM 538 O ASP A 32 20.491 0.763 -5.709 1.00 0.93 O ATOM 539 CB ASP A 32 17.269 0.081 -6.266 1.00 0.94 C ATOM 540 CG ASP A 32 18.045 -0.516 -7.426 1.00 1.15 C ATOM 541 OD1 ASP A 32 18.436 -1.697 -7.343 1.00 1.54 O ATOM 542 OD2 ASP A 32 18.239 0.186 -8.439 1.00 1.45 O ATOM 0 H ASP A 32 16.449 1.588 -4.529 1.00 0.93 H new ATOM 0 HA ASP A 32 18.528 -0.323 -4.567 1.00 0.92 H new ATOM 0 HB2 ASP A 32 16.563 -0.660 -5.890 1.00 0.94 H new ATOM 0 HB3 ASP A 32 16.683 0.926 -6.626 1.00 0.94 H new ATOM 547 N VAL A 33 19.165 2.556 -6.041 1.00 0.93 N ATOM 548 CA VAL A 33 20.235 3.392 -6.571 1.00 0.95 C ATOM 549 C VAL A 33 21.307 3.648 -5.510 1.00 0.96 C ATOM 550 O VAL A 33 22.504 3.539 -5.784 1.00 0.97 O ATOM 551 CB VAL A 33 19.697 4.746 -7.088 1.00 0.99 C ATOM 552 CG1 VAL A 33 20.829 5.612 -7.614 1.00 1.06 C ATOM 553 CG2 VAL A 33 18.647 4.527 -8.163 1.00 0.98 C ATOM 0 H VAL A 33 18.256 3.017 -5.993 1.00 0.93 H new ATOM 0 HA VAL A 33 20.676 2.849 -7.407 1.00 0.95 H new ATOM 0 HB VAL A 33 19.231 5.268 -6.253 1.00 0.99 H new ATOM 0 HG11 VAL A 33 20.426 6.559 -7.972 1.00 1.06 H new ATOM 0 HG12 VAL A 33 21.544 5.801 -6.814 1.00 1.06 H new ATOM 0 HG13 VAL A 33 21.330 5.097 -8.434 1.00 1.06 H new ATOM 0 HG21 VAL A 33 18.280 5.491 -8.515 1.00 0.98 H new ATOM 0 HG22 VAL A 33 19.088 3.981 -8.997 1.00 0.98 H new ATOM 0 HG23 VAL A 33 17.818 3.952 -7.750 1.00 0.98 H new ATOM 563 N VAL A 34 20.866 3.974 -4.294 1.00 0.98 N ATOM 564 CA VAL A 34 21.781 4.241 -3.185 1.00 1.02 C ATOM 565 C VAL A 34 22.636 3.012 -2.877 1.00 1.02 C ATOM 566 O VAL A 34 23.816 3.132 -2.554 1.00 1.04 O ATOM 567 CB VAL A 34 21.017 4.666 -1.911 1.00 1.07 C ATOM 568 CG1 VAL A 34 21.983 4.901 -0.760 1.00 1.14 C ATOM 569 CG2 VAL A 34 20.192 5.918 -2.176 1.00 1.08 C ATOM 0 H VAL A 34 19.879 4.059 -4.053 1.00 0.98 H new ATOM 0 HA VAL A 34 22.428 5.062 -3.494 1.00 1.02 H new ATOM 0 HB VAL A 34 20.340 3.858 -1.633 1.00 1.07 H new ATOM 0 HG11 VAL A 34 21.425 5.199 0.128 1.00 1.14 H new ATOM 0 HG12 VAL A 34 22.532 3.982 -0.552 1.00 1.14 H new ATOM 0 HG13 VAL A 34 22.685 5.690 -1.030 1.00 1.14 H new ATOM 0 HG21 VAL A 34 19.661 6.203 -1.268 1.00 1.08 H new ATOM 0 HG22 VAL A 34 20.852 6.731 -2.480 1.00 1.08 H new ATOM 0 HG23 VAL A 34 19.472 5.718 -2.970 1.00 1.08 H new ATOM 579 N LYS A 35 22.030 1.835 -3.001 1.00 1.00 N ATOM 580 CA LYS A 35 22.721 0.570 -2.742 1.00 1.02 C ATOM 581 C LYS A 35 23.953 0.424 -3.637 1.00 1.01 C ATOM 582 O LYS A 35 25.038 0.080 -3.167 1.00 1.04 O ATOM 583 CB LYS A 35 21.771 -0.611 -2.969 1.00 1.02 C ATOM 584 CG LYS A 35 22.384 -1.970 -2.671 1.00 1.06 C ATOM 585 CD LYS A 35 21.409 -3.092 -2.991 1.00 1.23 C ATOM 586 CE LYS A 35 22.041 -4.458 -2.785 1.00 1.45 C ATOM 587 NZ LYS A 35 21.144 -5.558 -3.231 1.00 1.92 N ATOM 0 H LYS A 35 21.055 1.728 -3.281 1.00 1.00 H new ATOM 0 HA LYS A 35 23.048 0.573 -1.702 1.00 1.02 H new ATOM 0 HB2 LYS A 35 20.888 -0.478 -2.344 1.00 1.02 H new ATOM 0 HB3 LYS A 35 21.433 -0.597 -4.005 1.00 1.02 H new ATOM 0 HG2 LYS A 35 23.295 -2.098 -3.256 1.00 1.06 H new ATOM 0 HG3 LYS A 35 22.670 -2.021 -1.620 1.00 1.06 H new ATOM 0 HD2 LYS A 35 20.527 -3.000 -2.358 1.00 1.23 H new ATOM 0 HD3 LYS A 35 21.072 -2.998 -4.023 1.00 1.23 H new ATOM 0 HE2 LYS A 35 22.980 -4.510 -3.335 1.00 1.45 H new ATOM 0 HE3 LYS A 35 22.282 -4.591 -1.730 1.00 1.45 H new ATOM 0 HZ1 LYS A 35 21.612 -6.473 -3.073 1.00 1.92 H new ATOM 0 HZ2 LYS A 35 20.257 -5.525 -2.688 1.00 1.92 H new ATOM 0 HZ3 LYS A 35 20.934 -5.446 -4.243 1.00 1.92 H new ATOM 601 N GLU A 36 23.779 0.678 -4.926 1.00 0.99 N ATOM 602 CA GLU A 36 24.883 0.572 -5.872 1.00 1.00 C ATOM 603 C GLU A 36 25.860 1.741 -5.722 1.00 0.99 C ATOM 604 O GLU A 36 27.071 1.575 -5.874 1.00 1.01 O ATOM 605 CB GLU A 36 24.355 0.494 -7.305 1.00 1.03 C ATOM 606 CG GLU A 36 25.175 -0.417 -8.205 1.00 1.31 C ATOM 607 CD GLU A 36 25.183 -1.856 -7.730 1.00 1.41 C ATOM 608 OE1 GLU A 36 25.936 -2.172 -6.784 1.00 1.44 O ATOM 609 OE2 GLU A 36 24.440 -2.683 -8.298 1.00 1.71 O ATOM 0 H GLU A 36 22.890 0.957 -5.340 1.00 0.99 H new ATOM 0 HA GLU A 36 25.426 -0.346 -5.650 1.00 1.00 H new ATOM 0 HB2 GLU A 36 23.324 0.140 -7.285 1.00 1.03 H new ATOM 0 HB3 GLU A 36 24.340 1.496 -7.733 1.00 1.03 H new ATOM 0 HG2 GLU A 36 24.775 -0.375 -9.218 1.00 1.31 H new ATOM 0 HG3 GLU A 36 26.200 -0.048 -8.251 1.00 1.31 H new ATOM 616 N SER A 37 25.339 2.910 -5.399 1.00 0.00 N ATOM 617 CA SER A 37 26.129 4.126 -5.233 1.00 0.00 C ATOM 618 C SER A 37 27.182 3.945 -4.164 1.00 0.00 C ATOM 619 O SER A 37 28.376 4.180 -4.400 1.00 0.00 O ATOM 620 CB SER A 37 25.216 5.341 -4.933 1.00 0.00 C ATOM 621 OG SER A 37 24.372 5.688 -6.036 1.00 0.00 O ATOM 0 H SER A 37 24.341 3.048 -5.241 1.00 0.00 H new ATOM 0 HA SER A 37 26.646 4.327 -6.171 1.00 0.00 H new ATOM 0 HB2 SER A 37 24.597 5.118 -4.064 1.00 0.00 H new ATOM 0 HB3 SER A 37 25.835 6.199 -4.672 1.00 0.00 H new ATOM 0 HG SER A 37 23.636 5.044 -6.100 1.00 0.00 H new ATOM 627 N VAL A 38 26.770 3.534 -2.964 1.00 1.03 N ATOM 628 CA VAL A 38 27.700 3.348 -1.852 1.00 1.06 C ATOM 629 C VAL A 38 28.711 2.256 -2.166 1.00 1.07 C ATOM 630 O VAL A 38 29.829 2.278 -1.657 1.00 1.09 O ATOM 631 CB VAL A 38 26.983 3.028 -0.523 1.00 1.10 C ATOM 632 CG1 VAL A 38 26.189 4.230 -0.038 1.00 1.12 C ATOM 633 CG2 VAL A 38 26.079 1.816 -0.662 1.00 1.10 C ATOM 0 H VAL A 38 25.798 3.324 -2.738 1.00 1.03 H new ATOM 0 HA VAL A 38 28.219 4.298 -1.725 1.00 1.06 H new ATOM 0 HB VAL A 38 27.747 2.794 0.218 1.00 1.10 H new ATOM 0 HG11 VAL A 38 25.692 3.983 0.900 1.00 1.12 H new ATOM 0 HG12 VAL A 38 26.863 5.072 0.120 1.00 1.12 H new ATOM 0 HG13 VAL A 38 25.442 4.498 -0.785 1.00 1.12 H new ATOM 0 HG21 VAL A 38 25.589 1.617 0.291 1.00 1.10 H new ATOM 0 HG22 VAL A 38 25.325 2.010 -1.425 1.00 1.10 H new ATOM 0 HG23 VAL A 38 26.674 0.950 -0.952 1.00 1.10 H new ATOM 643 N ASN A 39 28.318 1.306 -3.009 1.00 1.05 N ATOM 644 CA ASN A 39 29.204 0.217 -3.390 1.00 1.08 C ATOM 645 C ASN A 39 30.402 0.768 -4.158 1.00 1.07 C ATOM 646 O ASN A 39 31.554 0.515 -3.802 1.00 1.10 O ATOM 647 CB ASN A 39 28.454 -0.806 -4.242 1.00 1.10 C ATOM 648 CG ASN A 39 29.081 -2.187 -4.190 1.00 1.41 C ATOM 649 OD1 ASN A 39 30.293 -2.332 -4.038 1.00 1.68 O ATOM 650 ND2 ASN A 39 28.253 -3.209 -4.326 1.00 1.72 N ATOM 0 H ASN A 39 27.394 1.270 -3.439 1.00 1.05 H new ATOM 0 HA ASN A 39 29.560 -0.280 -2.488 1.00 1.08 H new ATOM 0 HB2 ASN A 39 27.421 -0.868 -3.901 1.00 1.10 H new ATOM 0 HB3 ASN A 39 28.429 -0.462 -5.276 1.00 1.10 H new ATOM 0 HD21 ASN A 39 28.613 -4.163 -4.307 1.00 1.72 H new ATOM 0 HD22 ASN A 39 27.254 -3.043 -4.450 1.00 1.72 H new ATOM 657 N GLU A 40 30.116 1.559 -5.190 1.00 1.06 N ATOM 658 CA GLU A 40 31.158 2.167 -6.015 1.00 1.08 C ATOM 659 C GLU A 40 31.976 3.168 -5.199 1.00 1.06 C ATOM 660 O GLU A 40 33.196 3.264 -5.346 1.00 1.09 O ATOM 661 CB GLU A 40 30.529 2.873 -7.215 1.00 1.11 C ATOM 662 CG GLU A 40 29.926 1.922 -8.231 1.00 1.33 C ATOM 663 CD GLU A 40 30.773 1.800 -9.478 1.00 1.77 C ATOM 664 OE1 GLU A 40 31.679 0.943 -9.514 1.00 2.13 O ATOM 665 OE2 GLU A 40 30.537 2.563 -10.435 1.00 2.31 O ATOM 0 H GLU A 40 29.166 1.795 -5.476 1.00 1.06 H new ATOM 0 HA GLU A 40 31.822 1.378 -6.367 1.00 1.08 H new ATOM 0 HB2 GLU A 40 29.754 3.553 -6.861 1.00 1.11 H new ATOM 0 HB3 GLU A 40 31.287 3.483 -7.706 1.00 1.11 H new ATOM 0 HG2 GLU A 40 29.807 0.938 -7.778 1.00 1.33 H new ATOM 0 HG3 GLU A 40 28.930 2.270 -8.504 1.00 1.33 H new ATOM 672 N LEU A 41 31.289 3.898 -4.328 1.00 1.04 N ATOM 673 CA LEU A 41 31.927 4.904 -3.486 1.00 1.05 C ATOM 674 C LEU A 41 32.932 4.271 -2.525 1.00 1.08 C ATOM 675 O LEU A 41 33.967 4.860 -2.227 1.00 1.12 O ATOM 676 CB LEU A 41 30.873 5.691 -2.701 1.00 1.04 C ATOM 677 CG LEU A 41 31.386 6.966 -2.024 1.00 1.04 C ATOM 678 CD1 LEU A 41 31.774 8.013 -3.062 1.00 1.19 C ATOM 679 CD2 LEU A 41 30.341 7.517 -1.065 1.00 1.07 C ATOM 0 H LEU A 41 30.283 3.811 -4.186 1.00 1.04 H new ATOM 0 HA LEU A 41 32.469 5.588 -4.140 1.00 1.05 H new ATOM 0 HB2 LEU A 41 30.062 5.959 -3.379 1.00 1.04 H new ATOM 0 HB3 LEU A 41 30.448 5.039 -1.938 1.00 1.04 H new ATOM 0 HG LEU A 41 32.278 6.714 -1.451 1.00 1.04 H new ATOM 0 HD11 LEU A 41 32.135 8.909 -2.557 1.00 1.19 H new ATOM 0 HD12 LEU A 41 32.561 7.616 -3.703 1.00 1.19 H new ATOM 0 HD13 LEU A 41 30.904 8.264 -3.669 1.00 1.19 H new ATOM 0 HD21 LEU A 41 30.722 8.423 -0.593 1.00 1.07 H new ATOM 0 HD22 LEU A 41 29.429 7.751 -1.615 1.00 1.07 H new ATOM 0 HD23 LEU A 41 30.122 6.773 -0.299 1.00 1.07 H new ATOM 691 N SER A 42 32.626 3.072 -2.048 1.00 1.07 N ATOM 692 CA SER A 42 33.503 2.370 -1.120 1.00 1.12 C ATOM 693 C SER A 42 34.803 1.970 -1.804 1.00 1.16 C ATOM 694 O SER A 42 35.879 2.021 -1.200 1.00 1.20 O ATOM 695 CB SER A 42 32.804 1.128 -0.561 1.00 1.13 C ATOM 696 OG SER A 42 31.617 1.475 0.131 1.00 1.47 O ATOM 0 H SER A 42 31.775 2.564 -2.289 1.00 1.07 H new ATOM 0 HA SER A 42 33.736 3.046 -0.297 1.00 1.12 H new ATOM 0 HB2 SER A 42 32.566 0.444 -1.376 1.00 1.13 H new ATOM 0 HB3 SER A 42 33.479 0.600 0.112 1.00 1.13 H new ATOM 0 HG SER A 42 31.040 2.008 -0.456 1.00 1.47 H new ATOM 702 N GLU A 43 34.701 1.584 -3.067 1.00 1.16 N ATOM 703 CA GLU A 43 35.869 1.177 -3.829 1.00 1.22 C ATOM 704 C GLU A 43 36.776 2.380 -4.085 1.00 1.21 C ATOM 705 O GLU A 43 38.000 2.271 -4.029 1.00 1.25 O ATOM 706 CB GLU A 43 35.450 0.525 -5.147 1.00 1.27 C ATOM 707 CG GLU A 43 36.561 -0.282 -5.810 1.00 1.60 C ATOM 708 CD GLU A 43 37.193 -1.299 -4.875 1.00 1.71 C ATOM 709 OE1 GLU A 43 36.452 -2.018 -4.176 1.00 1.94 O ATOM 710 OE2 GLU A 43 38.443 -1.392 -4.843 1.00 1.98 O ATOM 0 H GLU A 43 33.823 1.544 -3.584 1.00 1.16 H new ATOM 0 HA GLU A 43 36.426 0.441 -3.249 1.00 1.22 H new ATOM 0 HB2 GLU A 43 34.597 -0.129 -4.964 1.00 1.27 H new ATOM 0 HB3 GLU A 43 35.115 1.301 -5.836 1.00 1.27 H new ATOM 0 HG2 GLU A 43 36.158 -0.799 -6.681 1.00 1.60 H new ATOM 0 HG3 GLU A 43 37.331 0.399 -6.172 1.00 1.60 H new ATOM 717 N LYS A 44 36.163 3.530 -4.340 1.00 1.18 N ATOM 718 CA LYS A 44 36.911 4.753 -4.596 1.00 1.20 C ATOM 719 C LYS A 44 37.589 5.261 -3.323 1.00 1.20 C ATOM 720 O LYS A 44 38.753 5.658 -3.353 1.00 1.25 O ATOM 721 CB LYS A 44 35.982 5.829 -5.163 1.00 1.22 C ATOM 722 CG LYS A 44 35.773 5.717 -6.665 1.00 1.25 C ATOM 723 CD LYS A 44 36.963 6.280 -7.429 1.00 1.46 C ATOM 724 CE LYS A 44 36.863 5.998 -8.921 1.00 1.75 C ATOM 725 NZ LYS A 44 37.951 6.672 -9.676 1.00 2.12 N ATOM 0 H LYS A 44 35.150 3.640 -4.375 1.00 1.18 H new ATOM 0 HA LYS A 44 37.688 4.529 -5.327 1.00 1.20 H new ATOM 0 HB2 LYS A 44 35.015 5.764 -4.663 1.00 1.22 H new ATOM 0 HB3 LYS A 44 36.394 6.812 -4.933 1.00 1.22 H new ATOM 0 HG2 LYS A 44 35.624 4.672 -6.937 1.00 1.25 H new ATOM 0 HG3 LYS A 44 34.868 6.253 -6.950 1.00 1.25 H new ATOM 0 HD2 LYS A 44 37.023 7.356 -7.266 1.00 1.46 H new ATOM 0 HD3 LYS A 44 37.884 5.846 -7.038 1.00 1.46 H new ATOM 0 HE2 LYS A 44 36.911 4.923 -9.093 1.00 1.75 H new ATOM 0 HE3 LYS A 44 35.896 6.338 -9.293 1.00 1.75 H new ATOM 0 HZ1 LYS A 44 37.854 6.459 -10.689 1.00 2.12 H new ATOM 0 HZ2 LYS A 44 37.889 7.700 -9.530 1.00 2.12 H new ATOM 0 HZ3 LYS A 44 38.873 6.329 -9.337 1.00 2.12 H new ATOM 739 N ALA A 45 36.868 5.214 -2.209 1.00 1.17 N ATOM 740 CA ALA A 45 37.385 5.679 -0.923 1.00 1.18 C ATOM 741 C ALA A 45 38.591 4.864 -0.474 1.00 1.18 C ATOM 742 O ALA A 45 39.448 5.353 0.253 1.00 1.19 O ATOM 743 CB ALA A 45 36.288 5.627 0.128 1.00 1.21 C ATOM 0 H ALA A 45 35.914 4.855 -2.169 1.00 1.17 H new ATOM 0 HA ALA A 45 37.715 6.711 -1.047 1.00 1.18 H new ATOM 0 HB1 ALA A 45 36.682 5.975 1.083 1.00 1.21 H new ATOM 0 HB2 ALA A 45 35.460 6.267 -0.178 1.00 1.21 H new ATOM 0 HB3 ALA A 45 35.934 4.602 0.234 1.00 1.21 H new ATOM 749 N LYS A 46 38.658 3.627 -0.935 1.00 1.21 N ATOM 750 CA LYS A 46 39.754 2.727 -0.597 1.00 1.24 C ATOM 751 C LYS A 46 41.072 3.211 -1.205 1.00 1.24 C ATOM 752 O LYS A 46 42.146 2.752 -0.822 1.00 1.27 O ATOM 753 CB LYS A 46 39.446 1.317 -1.103 1.00 1.32 C ATOM 754 CG LYS A 46 40.082 0.202 -0.279 1.00 1.61 C ATOM 755 CD LYS A 46 39.611 -1.166 -0.751 1.00 2.02 C ATOM 756 CE LYS A 46 40.253 -1.552 -2.076 1.00 2.38 C ATOM 757 NZ LYS A 46 39.525 -2.667 -2.741 1.00 2.75 N ATOM 0 H LYS A 46 37.958 3.216 -1.553 1.00 1.21 H new ATOM 0 HA LYS A 46 39.858 2.714 0.488 1.00 1.24 H new ATOM 0 HB2 LYS A 46 38.365 1.175 -1.112 1.00 1.32 H new ATOM 0 HB3 LYS A 46 39.788 1.231 -2.134 1.00 1.32 H new ATOM 0 HG2 LYS A 46 41.168 0.263 -0.356 1.00 1.61 H new ATOM 0 HG3 LYS A 46 39.829 0.334 0.773 1.00 1.61 H new ATOM 0 HD2 LYS A 46 39.853 -1.915 0.003 1.00 2.02 H new ATOM 0 HD3 LYS A 46 38.526 -1.161 -0.859 1.00 2.02 H new ATOM 0 HE2 LYS A 46 40.271 -0.685 -2.737 1.00 2.38 H new ATOM 0 HE3 LYS A 46 41.289 -1.845 -1.906 1.00 2.38 H new ATOM 0 HZ1 LYS A 46 40.108 -3.528 -2.714 1.00 2.75 H new ATOM 0 HZ2 LYS A 46 38.628 -2.841 -2.244 1.00 2.75 H new ATOM 0 HZ3 LYS A 46 39.329 -2.413 -3.730 1.00 2.75 H new ATOM 771 N THR A 47 40.981 4.138 -2.149 1.00 1.23 N ATOM 772 CA THR A 47 42.154 4.668 -2.830 1.00 1.26 C ATOM 773 C THR A 47 42.733 5.906 -2.123 1.00 1.21 C ATOM 774 O THR A 47 43.798 6.406 -2.497 1.00 1.30 O ATOM 775 CB THR A 47 41.788 5.023 -4.287 1.00 1.39 C ATOM 776 OG1 THR A 47 40.879 4.042 -4.811 1.00 1.54 O ATOM 777 CG2 THR A 47 43.025 5.069 -5.164 1.00 1.62 C ATOM 0 H THR A 47 40.098 4.541 -2.463 1.00 1.23 H new ATOM 0 HA THR A 47 42.922 3.895 -2.811 1.00 1.26 H new ATOM 0 HB THR A 47 41.320 6.007 -4.288 1.00 1.39 H new ATOM 0 HG1 THR A 47 39.968 4.250 -4.517 1.00 1.54 H new ATOM 0 HG21 THR A 47 42.738 5.321 -6.185 1.00 1.62 H new ATOM 0 HG22 THR A 47 43.713 5.824 -4.783 1.00 1.62 H new ATOM 0 HG23 THR A 47 43.514 4.095 -5.155 1.00 1.62 H new ATOM 785 N ASP A 48 42.054 6.382 -1.085 1.00 1.15 N ATOM 786 CA ASP A 48 42.509 7.570 -0.361 1.00 1.15 C ATOM 787 C ASP A 48 42.274 7.436 1.144 1.00 1.09 C ATOM 788 O ASP A 48 41.198 7.035 1.572 1.00 1.06 O ATOM 789 CB ASP A 48 41.785 8.806 -0.902 1.00 1.24 C ATOM 790 CG ASP A 48 42.152 10.081 -0.165 1.00 1.32 C ATOM 791 OD1 ASP A 48 43.288 10.569 -0.337 1.00 1.50 O ATOM 792 OD2 ASP A 48 41.298 10.615 0.566 1.00 1.41 O ATOM 0 H ASP A 48 41.193 5.970 -0.726 1.00 1.15 H new ATOM 0 HA ASP A 48 43.583 7.675 -0.517 1.00 1.15 H new ATOM 0 HB2 ASP A 48 42.021 8.924 -1.960 1.00 1.24 H new ATOM 0 HB3 ASP A 48 40.709 8.649 -0.831 1.00 1.24 H new ATOM 797 N PRO A 49 43.286 7.770 1.970 1.00 1.12 N ATOM 798 CA PRO A 49 43.182 7.680 3.434 1.00 1.13 C ATOM 799 C PRO A 49 42.071 8.560 4.009 1.00 1.17 C ATOM 800 O PRO A 49 41.366 8.153 4.933 1.00 1.18 O ATOM 801 CB PRO A 49 44.549 8.155 3.932 1.00 1.22 C ATOM 802 CG PRO A 49 45.149 8.897 2.788 1.00 1.25 C ATOM 803 CD PRO A 49 44.614 8.247 1.548 1.00 1.19 C ATOM 0 HA PRO A 49 42.928 6.668 3.749 1.00 1.13 H new ATOM 0 HB2 PRO A 49 44.447 8.797 4.807 1.00 1.22 H new ATOM 0 HB3 PRO A 49 45.175 7.312 4.226 1.00 1.22 H new ATOM 0 HG2 PRO A 49 44.879 9.952 2.823 1.00 1.25 H new ATOM 0 HG3 PRO A 49 46.237 8.845 2.817 1.00 1.25 H new ATOM 0 HD2 PRO A 49 44.545 8.953 0.720 1.00 1.19 H new ATOM 0 HD3 PRO A 49 45.250 7.427 1.216 1.00 1.19 H new ATOM 811 N GLN A 50 41.908 9.757 3.452 1.00 1.23 N ATOM 812 CA GLN A 50 40.881 10.683 3.918 1.00 1.30 C ATOM 813 C GLN A 50 39.507 10.132 3.572 1.00 1.21 C ATOM 814 O GLN A 50 38.612 10.081 4.417 1.00 1.22 O ATOM 815 CB GLN A 50 41.063 12.069 3.289 1.00 1.43 C ATOM 816 CG GLN A 50 41.996 12.987 4.061 1.00 1.59 C ATOM 817 CD GLN A 50 43.391 12.419 4.205 1.00 1.77 C ATOM 818 OE1 GLN A 50 43.706 11.760 5.191 1.00 2.00 O ATOM 819 NE2 GLN A 50 44.229 12.662 3.214 1.00 1.96 N ATOM 0 H GLN A 50 42.473 10.108 2.679 1.00 1.23 H new ATOM 0 HA GLN A 50 40.973 10.788 4.999 1.00 1.30 H new ATOM 0 HB2 GLN A 50 41.447 11.948 2.276 1.00 1.43 H new ATOM 0 HB3 GLN A 50 40.088 12.548 3.205 1.00 1.43 H new ATOM 0 HG2 GLN A 50 42.052 13.950 3.554 1.00 1.59 H new ATOM 0 HG3 GLN A 50 41.580 13.171 5.051 1.00 1.59 H new ATOM 0 HE21 GLN A 50 43.925 13.215 2.413 1.00 1.96 H new ATOM 0 HE22 GLN A 50 45.181 12.297 3.250 1.00 1.96 H new ATOM 828 N ALA A 51 39.361 9.700 2.327 1.00 1.16 N ATOM 829 CA ALA A 51 38.106 9.136 1.851 1.00 1.11 C ATOM 830 C ALA A 51 37.767 7.866 2.616 1.00 1.02 C ATOM 831 O ALA A 51 36.602 7.599 2.895 1.00 1.00 O ATOM 832 CB ALA A 51 38.177 8.857 0.356 1.00 1.15 C ATOM 0 H ALA A 51 40.101 9.730 1.625 1.00 1.16 H new ATOM 0 HA ALA A 51 37.314 9.864 2.027 1.00 1.11 H new ATOM 0 HB1 ALA A 51 37.230 8.436 0.019 1.00 1.15 H new ATOM 0 HB2 ALA A 51 38.371 9.787 -0.179 1.00 1.15 H new ATOM 0 HB3 ALA A 51 38.981 8.148 0.156 1.00 1.15 H new ATOM 838 N ALA A 52 38.789 7.092 2.956 1.00 1.01 N ATOM 839 CA ALA A 52 38.603 5.856 3.702 1.00 1.01 C ATOM 840 C ALA A 52 37.988 6.132 5.067 1.00 1.04 C ATOM 841 O ALA A 52 37.133 5.383 5.534 1.00 1.05 O ATOM 842 CB ALA A 52 39.930 5.129 3.861 1.00 1.07 C ATOM 0 H ALA A 52 39.760 7.301 2.725 1.00 1.01 H new ATOM 0 HA ALA A 52 37.918 5.221 3.140 1.00 1.01 H new ATOM 0 HB1 ALA A 52 39.775 4.207 4.421 1.00 1.07 H new ATOM 0 HB2 ALA A 52 40.335 4.892 2.877 1.00 1.07 H new ATOM 0 HB3 ALA A 52 40.632 5.766 4.399 1.00 1.07 H new ATOM 848 N GLU A 53 38.424 7.213 5.699 1.00 1.10 N ATOM 849 CA GLU A 53 37.906 7.590 7.007 1.00 1.20 C ATOM 850 C GLU A 53 36.468 8.072 6.880 1.00 1.18 C ATOM 851 O GLU A 53 35.620 7.761 7.712 1.00 1.23 O ATOM 852 CB GLU A 53 38.785 8.674 7.635 1.00 1.32 C ATOM 853 CG GLU A 53 38.266 9.207 8.964 1.00 1.52 C ATOM 854 CD GLU A 53 38.015 8.112 9.986 1.00 1.64 C ATOM 855 OE1 GLU A 53 38.877 7.222 10.140 1.00 1.87 O ATOM 856 OE2 GLU A 53 36.952 8.138 10.639 1.00 1.65 O ATOM 0 H GLU A 53 39.134 7.844 5.328 1.00 1.10 H new ATOM 0 HA GLU A 53 37.923 6.716 7.658 1.00 1.20 H new ATOM 0 HB2 GLU A 53 39.787 8.272 7.784 1.00 1.32 H new ATOM 0 HB3 GLU A 53 38.875 9.504 6.934 1.00 1.32 H new ATOM 0 HG2 GLU A 53 38.986 9.917 9.370 1.00 1.52 H new ATOM 0 HG3 GLU A 53 37.340 9.755 8.792 1.00 1.52 H new ATOM 863 N LYS A 54 36.196 8.811 5.816 1.00 1.14 N ATOM 864 CA LYS A 54 34.856 9.329 5.574 1.00 1.15 C ATOM 865 C LYS A 54 33.879 8.182 5.339 1.00 1.06 C ATOM 866 O LYS A 54 32.738 8.223 5.791 1.00 1.08 O ATOM 867 CB LYS A 54 34.862 10.282 4.378 1.00 1.20 C ATOM 868 CG LYS A 54 35.817 11.457 4.550 1.00 1.43 C ATOM 869 CD LYS A 54 35.767 12.408 3.364 1.00 1.56 C ATOM 870 CE LYS A 54 34.500 13.245 3.382 1.00 1.86 C ATOM 871 NZ LYS A 54 34.499 14.288 2.323 1.00 2.25 N ATOM 0 H LYS A 54 36.883 9.066 5.107 1.00 1.14 H new ATOM 0 HA LYS A 54 34.532 9.883 6.455 1.00 1.15 H new ATOM 0 HB2 LYS A 54 35.137 9.727 3.481 1.00 1.20 H new ATOM 0 HB3 LYS A 54 33.853 10.663 4.220 1.00 1.20 H new ATOM 0 HG2 LYS A 54 35.564 12.000 5.461 1.00 1.43 H new ATOM 0 HG3 LYS A 54 36.834 11.083 4.673 1.00 1.43 H new ATOM 0 HD2 LYS A 54 36.638 13.063 3.383 1.00 1.56 H new ATOM 0 HD3 LYS A 54 35.816 11.838 2.436 1.00 1.56 H new ATOM 0 HE2 LYS A 54 33.635 12.595 3.249 1.00 1.86 H new ATOM 0 HE3 LYS A 54 34.395 13.720 4.357 1.00 1.86 H new ATOM 0 HZ1 LYS A 54 33.615 14.834 2.374 1.00 2.25 H new ATOM 0 HZ2 LYS A 54 35.308 14.926 2.463 1.00 2.25 H new ATOM 0 HZ3 LYS A 54 34.573 13.835 1.390 1.00 2.25 H new ATOM 885 N LEU A 55 34.340 7.150 4.645 1.00 0.98 N ATOM 886 CA LEU A 55 33.509 5.987 4.371 1.00 0.95 C ATOM 887 C LEU A 55 33.340 5.150 5.631 1.00 0.98 C ATOM 888 O LEU A 55 32.338 4.460 5.795 1.00 1.00 O ATOM 889 CB LEU A 55 34.110 5.143 3.246 1.00 0.93 C ATOM 890 CG LEU A 55 33.292 5.113 1.953 1.00 1.05 C ATOM 891 CD1 LEU A 55 31.990 4.358 2.159 1.00 1.34 C ATOM 892 CD2 LEU A 55 33.014 6.525 1.468 1.00 1.22 C ATOM 0 H LEU A 55 35.284 7.095 4.262 1.00 0.98 H new ATOM 0 HA LEU A 55 32.528 6.335 4.048 1.00 0.95 H new ATOM 0 HB2 LEU A 55 35.106 5.523 3.019 1.00 0.93 H new ATOM 0 HB3 LEU A 55 34.233 4.121 3.605 1.00 0.93 H new ATOM 0 HG LEU A 55 33.874 4.592 1.192 1.00 1.05 H new ATOM 0 HD11 LEU A 55 31.424 4.349 1.228 1.00 1.34 H new ATOM 0 HD12 LEU A 55 32.207 3.334 2.462 1.00 1.34 H new ATOM 0 HD13 LEU A 55 31.403 4.849 2.935 1.00 1.34 H new ATOM 0 HD21 LEU A 55 32.431 6.485 0.548 1.00 1.22 H new ATOM 0 HD22 LEU A 55 32.453 7.067 2.229 1.00 1.22 H new ATOM 0 HD23 LEU A 55 33.957 7.037 1.278 1.00 1.22 H new ATOM 904 N ASN A 56 34.328 5.215 6.519 1.00 1.04 N ATOM 905 CA ASN A 56 34.271 4.490 7.781 1.00 1.14 C ATOM 906 C ASN A 56 33.180 5.105 8.649 1.00 1.19 C ATOM 907 O ASN A 56 32.494 4.420 9.408 1.00 1.25 O ATOM 908 CB ASN A 56 35.629 4.550 8.498 1.00 1.25 C ATOM 909 CG ASN A 56 35.649 3.759 9.796 1.00 1.42 C ATOM 910 OD1 ASN A 56 34.999 2.720 9.914 1.00 1.48 O ATOM 911 ND2 ASN A 56 36.398 4.249 10.776 1.00 1.57 N ATOM 0 H ASN A 56 35.178 5.763 6.386 1.00 1.04 H new ATOM 0 HA ASN A 56 34.040 3.442 7.592 1.00 1.14 H new ATOM 0 HB2 ASN A 56 36.402 4.166 7.833 1.00 1.25 H new ATOM 0 HB3 ASN A 56 35.877 5.590 8.709 1.00 1.25 H new ATOM 0 HD21 ASN A 56 36.451 3.761 11.670 1.00 1.57 H new ATOM 0 HD22 ASN A 56 36.921 5.114 10.635 1.00 1.57 H new ATOM 918 N LYS A 57 33.022 6.413 8.508 1.00 1.20 N ATOM 919 CA LYS A 57 32.014 7.152 9.250 1.00 1.28 C ATOM 920 C LYS A 57 30.627 6.922 8.651 1.00 1.22 C ATOM 921 O LYS A 57 29.641 6.756 9.375 1.00 1.27 O ATOM 922 CB LYS A 57 32.344 8.647 9.241 1.00 1.39 C ATOM 923 CG LYS A 57 33.485 9.033 10.165 1.00 1.52 C ATOM 924 CD LYS A 57 33.972 10.448 9.881 1.00 1.63 C ATOM 925 CE LYS A 57 34.620 11.079 11.102 1.00 1.74 C ATOM 926 NZ LYS A 57 35.913 10.435 11.449 1.00 1.86 N ATOM 0 H LYS A 57 33.585 6.987 7.881 1.00 1.20 H new ATOM 0 HA LYS A 57 32.012 6.792 10.279 1.00 1.28 H new ATOM 0 HB2 LYS A 57 32.596 8.947 8.224 1.00 1.39 H new ATOM 0 HB3 LYS A 57 31.453 9.207 9.527 1.00 1.39 H new ATOM 0 HG2 LYS A 57 33.157 8.960 11.202 1.00 1.52 H new ATOM 0 HG3 LYS A 57 34.309 8.331 10.042 1.00 1.52 H new ATOM 0 HD2 LYS A 57 34.688 10.428 9.059 1.00 1.63 H new ATOM 0 HD3 LYS A 57 33.132 11.063 9.557 1.00 1.63 H new ATOM 0 HE2 LYS A 57 34.783 12.141 10.916 1.00 1.74 H new ATOM 0 HE3 LYS A 57 33.940 11.005 11.951 1.00 1.74 H new ATOM 0 HZ1 LYS A 57 35.926 10.208 12.464 1.00 1.86 H new ATOM 0 HZ2 LYS A 57 36.025 9.561 10.897 1.00 1.86 H new ATOM 0 HZ3 LYS A 57 36.695 11.085 11.230 1.00 1.86 H new ATOM 940 N LEU A 58 30.565 6.907 7.324 1.00 1.12 N ATOM 941 CA LEU A 58 29.310 6.713 6.602 1.00 1.10 C ATOM 942 C LEU A 58 28.732 5.322 6.849 1.00 1.08 C ATOM 943 O LEU A 58 27.554 5.187 7.177 1.00 1.11 O ATOM 944 CB LEU A 58 29.528 6.929 5.102 1.00 1.06 C ATOM 945 CG LEU A 58 29.004 8.255 4.546 1.00 1.22 C ATOM 946 CD1 LEU A 58 27.486 8.311 4.636 1.00 1.35 C ATOM 947 CD2 LEU A 58 29.631 9.435 5.282 1.00 1.39 C ATOM 0 H LEU A 58 31.378 7.028 6.720 1.00 1.12 H new ATOM 0 HA LEU A 58 28.594 7.446 6.974 1.00 1.10 H new ATOM 0 HB2 LEU A 58 30.596 6.864 4.894 1.00 1.06 H new ATOM 0 HB3 LEU A 58 29.048 6.113 4.561 1.00 1.06 H new ATOM 0 HG LEU A 58 29.287 8.320 3.496 1.00 1.22 H new ATOM 0 HD11 LEU A 58 27.133 9.261 4.236 1.00 1.35 H new ATOM 0 HD12 LEU A 58 27.057 7.492 4.059 1.00 1.35 H new ATOM 0 HD13 LEU A 58 27.180 8.220 5.678 1.00 1.35 H new ATOM 0 HD21 LEU A 58 29.244 10.367 4.871 1.00 1.39 H new ATOM 0 HD22 LEU A 58 29.383 9.376 6.342 1.00 1.39 H new ATOM 0 HD23 LEU A 58 30.714 9.406 5.160 1.00 1.39 H new ATOM 959 N ILE A 59 29.565 4.296 6.698 1.00 1.07 N ATOM 960 CA ILE A 59 29.132 2.920 6.906 1.00 1.12 C ATOM 961 C ILE A 59 28.642 2.730 8.336 1.00 1.22 C ATOM 962 O ILE A 59 27.695 1.978 8.581 1.00 1.28 O ATOM 963 CB ILE A 59 30.248 1.897 6.577 1.00 1.15 C ATOM 964 CG1 ILE A 59 29.648 0.499 6.399 1.00 1.28 C ATOM 965 CG2 ILE A 59 31.330 1.880 7.654 1.00 1.26 C ATOM 966 CD1 ILE A 59 28.737 0.369 5.190 1.00 1.39 C ATOM 0 H ILE A 59 30.545 4.393 6.432 1.00 1.07 H new ATOM 0 HA ILE A 59 28.309 2.732 6.216 1.00 1.12 H new ATOM 0 HB ILE A 59 30.718 2.204 5.643 1.00 1.15 H new ATOM 0 HG12 ILE A 59 30.458 -0.225 6.311 1.00 1.28 H new ATOM 0 HG13 ILE A 59 29.085 0.239 7.295 1.00 1.28 H new ATOM 0 HG21 ILE A 59 32.096 1.151 7.389 1.00 1.26 H new ATOM 0 HG22 ILE A 59 31.782 2.869 7.731 1.00 1.26 H new ATOM 0 HG23 ILE A 59 30.886 1.608 8.612 1.00 1.26 H new ATOM 0 HD11 ILE A 59 28.352 -0.649 5.132 1.00 1.39 H new ATOM 0 HD12 ILE A 59 27.905 1.067 5.285 1.00 1.39 H new ATOM 0 HD13 ILE A 59 29.300 0.596 4.284 1.00 1.39 H new ATOM 978 N GLU A 60 29.278 3.429 9.270 1.00 1.27 N ATOM 979 CA GLU A 60 28.887 3.358 10.667 1.00 1.41 C ATOM 980 C GLU A 60 27.462 3.864 10.816 1.00 1.39 C ATOM 981 O GLU A 60 26.644 3.259 11.506 1.00 1.49 O ATOM 982 CB GLU A 60 29.840 4.181 11.528 1.00 1.52 C ATOM 983 CG GLU A 60 29.511 4.144 13.013 1.00 1.73 C ATOM 984 CD GLU A 60 30.576 4.807 13.853 1.00 2.09 C ATOM 985 OE1 GLU A 60 31.325 5.645 13.313 1.00 2.28 O ATOM 986 OE2 GLU A 60 30.671 4.500 15.059 1.00 2.61 O ATOM 0 H GLU A 60 30.065 4.050 9.082 1.00 1.27 H new ATOM 0 HA GLU A 60 28.936 2.322 11.003 1.00 1.41 H new ATOM 0 HB2 GLU A 60 30.856 3.815 11.381 1.00 1.52 H new ATOM 0 HB3 GLU A 60 29.822 5.216 11.187 1.00 1.52 H new ATOM 0 HG2 GLU A 60 28.556 4.640 13.184 1.00 1.73 H new ATOM 0 HG3 GLU A 60 29.393 3.108 13.331 1.00 1.73 H new ATOM 993 N GLY A 61 27.162 4.965 10.129 1.00 1.30 N ATOM 994 CA GLY A 61 25.825 5.524 10.172 1.00 1.30 C ATOM 995 C GLY A 61 24.812 4.576 9.569 1.00 1.26 C ATOM 996 O GLY A 61 23.658 4.534 9.987 1.00 1.27 O ATOM 0 H GLY A 61 27.822 5.478 9.545 1.00 1.30 H new ATOM 0 HA2 GLY A 61 25.553 5.741 11.205 1.00 1.30 H new ATOM 0 HA3 GLY A 61 25.807 6.470 9.632 1.00 1.30 H new ATOM 1000 N TYR A 62 25.265 3.811 8.579 1.00 1.25 N ATOM 1001 CA TYR A 62 24.421 2.832 7.912 1.00 1.31 C ATOM 1002 C TYR A 62 24.130 1.657 8.837 1.00 1.43 C ATOM 1003 O TYR A 62 23.182 0.900 8.625 1.00 1.47 O ATOM 1004 CB TYR A 62 25.080 2.335 6.626 1.00 1.39 C ATOM 1005 CG TYR A 62 24.786 3.207 5.422 1.00 1.59 C ATOM 1006 CD1 TYR A 62 23.510 3.259 4.867 1.00 2.03 C ATOM 1007 CD2 TYR A 62 25.782 3.992 4.845 1.00 2.27 C ATOM 1008 CE1 TYR A 62 23.236 4.064 3.776 1.00 2.60 C ATOM 1009 CE2 TYR A 62 25.512 4.801 3.757 1.00 2.80 C ATOM 1010 CZ TYR A 62 24.239 4.834 3.228 1.00 2.80 C ATOM 1011 OH TYR A 62 23.966 5.640 2.149 1.00 3.54 O ATOM 0 H TYR A 62 26.219 3.854 8.221 1.00 1.25 H new ATOM 0 HA TYR A 62 23.480 3.318 7.655 1.00 1.31 H new ATOM 0 HB2 TYR A 62 26.159 2.286 6.775 1.00 1.39 H new ATOM 0 HB3 TYR A 62 24.740 1.320 6.421 1.00 1.39 H new ATOM 0 HD1 TYR A 62 22.720 2.660 5.296 1.00 2.03 H new ATOM 0 HD2 TYR A 62 26.781 3.968 5.254 1.00 2.27 H new ATOM 0 HE1 TYR A 62 22.241 4.089 3.356 1.00 2.60 H new ATOM 0 HE2 TYR A 62 26.295 5.405 3.323 1.00 2.80 H new ATOM 0 HH TYR A 62 24.779 6.118 1.884 1.00 3.54 H new ATOM 1021 N THR A 63 24.957 1.498 9.861 1.00 1.55 N ATOM 1022 CA THR A 63 24.762 0.425 10.823 1.00 1.74 C ATOM 1023 C THR A 63 23.654 0.812 11.804 1.00 1.68 C ATOM 1024 O THR A 63 22.855 -0.021 12.237 1.00 1.81 O ATOM 1025 CB THR A 63 26.060 0.121 11.602 1.00 1.96 C ATOM 1026 OG1 THR A 63 27.202 0.238 10.737 1.00 2.00 O ATOM 1027 CG2 THR A 63 26.020 -1.276 12.201 1.00 2.37 C ATOM 0 H THR A 63 25.764 2.094 10.045 1.00 1.55 H new ATOM 0 HA THR A 63 24.479 -0.474 10.275 1.00 1.74 H new ATOM 0 HB THR A 63 26.142 0.848 12.410 1.00 1.96 H new ATOM 0 HG1 THR A 63 28.018 0.044 11.244 1.00 2.00 H new ATOM 0 HG21 THR A 63 26.946 -1.466 12.744 1.00 2.37 H new ATOM 0 HG22 THR A 63 25.175 -1.355 12.885 1.00 2.37 H new ATOM 0 HG23 THR A 63 25.911 -2.011 11.403 1.00 2.37 H new ATOM 1035 N TYR A 64 23.603 2.096 12.106 1.00 1.56 N ATOM 1036 CA TYR A 64 22.613 2.670 13.011 1.00 1.61 C ATOM 1037 C TYR A 64 21.464 3.230 12.203 1.00 1.32 C ATOM 1038 O TYR A 64 20.975 4.323 12.496 1.00 1.40 O ATOM 1039 CB TYR A 64 23.224 3.790 13.867 1.00 1.89 C ATOM 1040 CG TYR A 64 24.364 3.346 14.754 1.00 2.36 C ATOM 1041 CD1 TYR A 64 24.126 2.693 15.952 1.00 2.94 C ATOM 1042 CD2 TYR A 64 25.681 3.588 14.390 1.00 2.88 C ATOM 1043 CE1 TYR A 64 25.168 2.290 16.766 1.00 3.61 C ATOM 1044 CE2 TYR A 64 26.725 3.189 15.195 1.00 3.56 C ATOM 1045 CZ TYR A 64 26.465 2.542 16.381 1.00 3.79 C ATOM 1046 OH TYR A 64 27.509 2.145 17.182 1.00 4.61 O ATOM 0 H TYR A 64 24.255 2.783 11.727 1.00 1.56 H new ATOM 0 HA TYR A 64 22.260 1.883 13.677 1.00 1.61 H new ATOM 0 HB2 TYR A 64 23.580 4.582 13.208 1.00 1.89 H new ATOM 0 HB3 TYR A 64 22.441 4.222 14.491 1.00 1.89 H new ATOM 0 HD1 TYR A 64 23.109 2.495 16.255 1.00 2.94 H new ATOM 0 HD2 TYR A 64 25.891 4.097 13.461 1.00 2.88 H new ATOM 0 HE1 TYR A 64 24.966 1.781 17.697 1.00 3.61 H new ATOM 0 HE2 TYR A 64 27.744 3.383 14.896 1.00 3.56 H new ATOM 0 HH TYR A 64 28.358 2.399 16.763 1.00 4.61 H new ATOM 1056 N GLY A 65 21.106 2.530 11.129 1.00 1.16 N ATOM 1057 CA GLY A 65 20.029 2.976 10.262 1.00 1.08 C ATOM 1058 C GLY A 65 18.664 3.036 10.938 1.00 1.03 C ATOM 1059 O GLY A 65 17.787 2.201 10.678 1.00 1.02 O ATOM 0 H GLY A 65 21.547 1.656 10.843 1.00 1.16 H new ATOM 0 HA2 GLY A 65 20.275 3.966 9.877 1.00 1.08 H new ATOM 0 HA3 GLY A 65 19.968 2.306 9.404 1.00 1.08 H new ATOM 1063 N GLU A 66 18.477 4.044 11.783 1.00 1.04 N ATOM 1064 CA GLU A 66 17.224 4.249 12.494 1.00 1.03 C ATOM 1065 C GLU A 66 16.098 4.520 11.507 1.00 0.98 C ATOM 1066 O GLU A 66 14.956 4.110 11.719 1.00 0.98 O ATOM 1067 CB GLU A 66 17.360 5.425 13.459 1.00 1.10 C ATOM 1068 CG GLU A 66 18.075 5.077 14.751 1.00 1.55 C ATOM 1069 CD GLU A 66 17.199 4.289 15.703 1.00 1.48 C ATOM 1070 OE1 GLU A 66 16.332 4.901 16.364 1.00 1.79 O ATOM 1071 OE2 GLU A 66 17.363 3.061 15.793 1.00 1.73 O ATOM 0 H GLU A 66 19.191 4.741 11.993 1.00 1.04 H new ATOM 0 HA GLU A 66 16.989 3.347 13.059 1.00 1.03 H new ATOM 0 HB2 GLU A 66 17.900 6.231 12.961 1.00 1.10 H new ATOM 0 HB3 GLU A 66 16.366 5.806 13.696 1.00 1.10 H new ATOM 0 HG2 GLU A 66 18.970 4.499 14.523 1.00 1.55 H new ATOM 0 HG3 GLU A 66 18.404 5.994 15.239 1.00 1.55 H new ATOM 1078 N GLU A 67 16.435 5.201 10.417 1.00 0.98 N ATOM 1079 CA GLU A 67 15.460 5.532 9.391 1.00 0.98 C ATOM 1080 C GLU A 67 14.909 4.270 8.739 1.00 0.95 C ATOM 1081 O GLU A 67 13.745 4.219 8.352 1.00 0.93 O ATOM 1082 CB GLU A 67 16.089 6.448 8.338 1.00 1.05 C ATOM 1083 CG GLU A 67 16.254 7.886 8.814 1.00 1.33 C ATOM 1084 CD GLU A 67 16.291 8.879 7.672 1.00 1.79 C ATOM 1085 OE1 GLU A 67 15.317 8.936 6.895 1.00 2.46 O ATOM 1086 OE2 GLU A 67 17.295 9.610 7.543 1.00 2.37 O ATOM 0 H GLU A 67 17.379 5.534 10.223 1.00 0.98 H new ATOM 0 HA GLU A 67 14.631 6.059 9.863 1.00 0.98 H new ATOM 0 HB2 GLU A 67 17.064 6.051 8.057 1.00 1.05 H new ATOM 0 HB3 GLU A 67 15.470 6.438 7.441 1.00 1.05 H new ATOM 0 HG2 GLU A 67 15.432 8.139 9.484 1.00 1.33 H new ATOM 0 HG3 GLU A 67 17.174 7.970 9.393 1.00 1.33 H new ATOM 1093 N ARG A 68 15.742 3.238 8.654 1.00 0.97 N ATOM 1094 CA ARG A 68 15.325 1.974 8.063 1.00 0.99 C ATOM 1095 C ARG A 68 14.252 1.328 8.931 1.00 0.96 C ATOM 1096 O ARG A 68 13.289 0.749 8.428 1.00 0.97 O ATOM 1097 CB ARG A 68 16.530 1.036 7.895 1.00 1.06 C ATOM 1098 CG ARG A 68 16.206 -0.286 7.212 1.00 1.17 C ATOM 1099 CD ARG A 68 16.023 -1.408 8.221 1.00 1.27 C ATOM 1100 NE ARG A 68 15.750 -2.696 7.581 1.00 1.43 N ATOM 1101 CZ ARG A 68 14.544 -3.265 7.524 1.00 1.40 C ATOM 1102 NH1 ARG A 68 13.485 -2.649 8.040 1.00 1.41 N ATOM 1103 NH2 ARG A 68 14.400 -4.449 6.945 1.00 1.70 N ATOM 0 H ARG A 68 16.706 3.253 8.986 1.00 0.97 H new ATOM 0 HA ARG A 68 14.907 2.164 7.075 1.00 0.99 H new ATOM 0 HB2 ARG A 68 17.298 1.551 7.318 1.00 1.06 H new ATOM 0 HB3 ARG A 68 16.954 0.829 8.878 1.00 1.06 H new ATOM 0 HG2 ARG A 68 15.297 -0.177 6.620 1.00 1.17 H new ATOM 0 HG3 ARG A 68 17.008 -0.545 6.521 1.00 1.17 H new ATOM 0 HD2 ARG A 68 16.921 -1.493 8.833 1.00 1.27 H new ATOM 0 HD3 ARG A 68 15.202 -1.158 8.893 1.00 1.27 H new ATOM 0 HE ARG A 68 16.532 -3.190 7.151 1.00 1.43 H new ATOM 0 HH11 ARG A 68 13.591 -1.736 8.483 1.00 1.41 H new ATOM 0 HH12 ARG A 68 12.566 -3.089 7.993 1.00 1.41 H new ATOM 0 HH21 ARG A 68 15.210 -4.923 6.545 1.00 1.70 H new ATOM 0 HH22 ARG A 68 13.480 -4.886 6.900 1.00 1.70 H new ATOM 1117 N LYS A 69 14.427 1.439 10.241 1.00 0.95 N ATOM 1118 CA LYS A 69 13.468 0.891 11.190 1.00 0.97 C ATOM 1119 C LYS A 69 12.181 1.720 11.182 1.00 0.91 C ATOM 1120 O LYS A 69 11.080 1.191 11.348 1.00 0.92 O ATOM 1121 CB LYS A 69 14.074 0.873 12.597 1.00 1.04 C ATOM 1122 CG LYS A 69 15.321 0.008 12.722 1.00 1.31 C ATOM 1123 CD LYS A 69 16.158 0.400 13.932 1.00 1.43 C ATOM 1124 CE LYS A 69 15.342 0.379 15.217 1.00 1.48 C ATOM 1125 NZ LYS A 69 16.141 0.829 16.387 1.00 1.54 N ATOM 0 H LYS A 69 15.226 1.905 10.671 1.00 0.95 H new ATOM 0 HA LYS A 69 13.227 -0.130 10.895 1.00 0.97 H new ATOM 0 HB2 LYS A 69 14.321 1.894 12.888 1.00 1.04 H new ATOM 0 HB3 LYS A 69 13.323 0.514 13.301 1.00 1.04 H new ATOM 0 HG2 LYS A 69 15.031 -1.039 12.804 1.00 1.31 H new ATOM 0 HG3 LYS A 69 15.922 0.103 11.818 1.00 1.31 H new ATOM 0 HD2 LYS A 69 17.002 -0.283 14.027 1.00 1.43 H new ATOM 0 HD3 LYS A 69 16.571 1.397 13.780 1.00 1.43 H new ATOM 0 HE2 LYS A 69 14.470 1.022 15.104 1.00 1.48 H new ATOM 0 HE3 LYS A 69 14.972 -0.631 15.396 1.00 1.48 H new ATOM 0 HZ1 LYS A 69 15.504 1.204 17.119 1.00 1.54 H new ATOM 0 HZ2 LYS A 69 16.676 0.025 16.772 1.00 1.54 H new ATOM 0 HZ3 LYS A 69 16.803 1.574 16.090 1.00 1.54 H new ATOM 1139 N LEU A 70 12.334 3.021 10.962 1.00 0.90 N ATOM 1140 CA LEU A 70 11.205 3.943 10.928 1.00 0.88 C ATOM 1141 C LEU A 70 10.290 3.644 9.743 1.00 0.85 C ATOM 1142 O LEU A 70 9.076 3.521 9.902 1.00 0.85 O ATOM 1143 CB LEU A 70 11.717 5.384 10.851 1.00 0.93 C ATOM 1144 CG LEU A 70 10.677 6.463 11.142 1.00 1.01 C ATOM 1145 CD1 LEU A 70 10.217 6.384 12.588 1.00 1.14 C ATOM 1146 CD2 LEU A 70 11.237 7.843 10.830 1.00 1.15 C ATOM 0 H LEU A 70 13.239 3.464 10.803 1.00 0.90 H new ATOM 0 HA LEU A 70 10.625 3.815 11.842 1.00 0.88 H new ATOM 0 HB2 LEU A 70 12.541 5.497 11.556 1.00 0.93 H new ATOM 0 HB3 LEU A 70 12.124 5.555 9.854 1.00 0.93 H new ATOM 0 HG LEU A 70 9.814 6.292 10.499 1.00 1.01 H new ATOM 0 HD11 LEU A 70 9.476 7.161 12.777 1.00 1.14 H new ATOM 0 HD12 LEU A 70 9.774 5.406 12.776 1.00 1.14 H new ATOM 0 HD13 LEU A 70 11.071 6.529 13.250 1.00 1.14 H new ATOM 0 HD21 LEU A 70 10.481 8.599 11.044 1.00 1.15 H new ATOM 0 HD22 LEU A 70 12.118 8.026 11.446 1.00 1.15 H new ATOM 0 HD23 LEU A 70 11.514 7.894 9.777 1.00 1.15 H new ATOM 1158 N TYR A 71 10.883 3.507 8.562 1.00 0.84 N ATOM 1159 CA TYR A 71 10.117 3.219 7.355 1.00 0.86 C ATOM 1160 C TYR A 71 9.445 1.858 7.470 1.00 0.85 C ATOM 1161 O TYR A 71 8.344 1.659 6.959 1.00 0.85 O ATOM 1162 CB TYR A 71 11.011 3.259 6.109 1.00 0.91 C ATOM 1163 CG TYR A 71 11.668 4.602 5.852 1.00 0.92 C ATOM 1164 CD1 TYR A 71 11.096 5.789 6.301 1.00 0.94 C ATOM 1165 CD2 TYR A 71 12.871 4.678 5.160 1.00 0.99 C ATOM 1166 CE1 TYR A 71 11.703 7.008 6.064 1.00 1.01 C ATOM 1167 CE2 TYR A 71 13.484 5.893 4.921 1.00 1.05 C ATOM 1168 CZ TYR A 71 12.899 7.054 5.375 1.00 1.05 C ATOM 1169 OH TYR A 71 13.505 8.266 5.132 1.00 1.16 O ATOM 0 H TYR A 71 11.889 3.590 8.415 1.00 0.84 H new ATOM 0 HA TYR A 71 9.352 3.988 7.251 1.00 0.86 H new ATOM 0 HB2 TYR A 71 11.788 2.501 6.210 1.00 0.91 H new ATOM 0 HB3 TYR A 71 10.413 2.988 5.239 1.00 0.91 H new ATOM 0 HD1 TYR A 71 10.163 5.757 6.843 1.00 0.94 H new ATOM 0 HD2 TYR A 71 13.335 3.771 4.803 1.00 0.99 H new ATOM 0 HE1 TYR A 71 11.244 7.920 6.416 1.00 1.01 H new ATOM 0 HE2 TYR A 71 14.418 5.932 4.380 1.00 1.05 H new ATOM 0 HH TYR A 71 13.886 8.614 5.965 1.00 1.16 H new ATOM 1179 N ASP A 72 10.111 0.930 8.150 1.00 0.86 N ATOM 1180 CA ASP A 72 9.565 -0.406 8.354 1.00 0.90 C ATOM 1181 C ASP A 72 8.297 -0.319 9.192 1.00 0.87 C ATOM 1182 O ASP A 72 7.290 -0.963 8.890 1.00 0.87 O ATOM 1183 CB ASP A 72 10.588 -1.308 9.046 1.00 0.98 C ATOM 1184 CG ASP A 72 10.259 -2.776 8.893 1.00 1.21 C ATOM 1185 OD1 ASP A 72 9.311 -3.254 9.552 1.00 1.47 O ATOM 1186 OD2 ASP A 72 10.953 -3.461 8.114 1.00 1.48 O ATOM 0 H ASP A 72 11.029 1.079 8.569 1.00 0.86 H new ATOM 0 HA ASP A 72 9.328 -0.838 7.382 1.00 0.90 H new ATOM 0 HB2 ASP A 72 11.578 -1.115 8.632 1.00 0.98 H new ATOM 0 HB3 ASP A 72 10.632 -1.057 10.106 1.00 0.98 H new ATOM 1191 N SER A 73 8.353 0.506 10.233 1.00 0.85 N ATOM 1192 CA SER A 73 7.215 0.713 11.117 1.00 0.85 C ATOM 1193 C SER A 73 6.049 1.320 10.340 1.00 0.81 C ATOM 1194 O SER A 73 4.886 0.990 10.581 1.00 0.80 O ATOM 1195 CB SER A 73 7.610 1.632 12.279 1.00 0.90 C ATOM 1196 OG SER A 73 8.773 1.157 12.938 1.00 0.96 O ATOM 0 H SER A 73 9.182 1.045 10.485 1.00 0.85 H new ATOM 0 HA SER A 73 6.904 -0.251 11.521 1.00 0.85 H new ATOM 0 HB2 SER A 73 7.788 2.640 11.904 1.00 0.90 H new ATOM 0 HB3 SER A 73 6.787 1.697 12.991 1.00 0.90 H new ATOM 0 HG SER A 73 9.553 1.285 12.358 1.00 0.96 H new ATOM 1202 N ALA A 74 6.375 2.196 9.396 1.00 0.80 N ATOM 1203 CA ALA A 74 5.368 2.846 8.573 1.00 0.79 C ATOM 1204 C ALA A 74 4.652 1.827 7.692 1.00 0.76 C ATOM 1205 O ALA A 74 3.441 1.911 7.492 1.00 0.75 O ATOM 1206 CB ALA A 74 6.007 3.940 7.727 1.00 0.82 C ATOM 0 H ALA A 74 7.334 2.472 9.183 1.00 0.80 H new ATOM 0 HA ALA A 74 4.626 3.304 9.227 1.00 0.79 H new ATOM 0 HB1 ALA A 74 5.243 4.420 7.115 1.00 0.82 H new ATOM 0 HB2 ALA A 74 6.468 4.682 8.379 1.00 0.82 H new ATOM 0 HB3 ALA A 74 6.768 3.502 7.081 1.00 0.82 H new ATOM 1212 N LEU A 75 5.402 0.849 7.188 1.00 0.77 N ATOM 1213 CA LEU A 75 4.829 -0.192 6.338 1.00 0.78 C ATOM 1214 C LEU A 75 3.844 -1.040 7.132 1.00 0.77 C ATOM 1215 O LEU A 75 2.837 -1.510 6.601 1.00 0.77 O ATOM 1216 CB LEU A 75 5.931 -1.074 5.742 1.00 0.83 C ATOM 1217 CG LEU A 75 5.971 -1.117 4.208 1.00 0.92 C ATOM 1218 CD1 LEU A 75 4.657 -1.653 3.647 1.00 1.13 C ATOM 1219 CD2 LEU A 75 6.280 0.262 3.642 1.00 1.15 C ATOM 0 H LEU A 75 6.404 0.756 7.353 1.00 0.77 H new ATOM 0 HA LEU A 75 4.296 0.290 5.519 1.00 0.78 H new ATOM 0 HB2 LEU A 75 6.895 -0.719 6.106 1.00 0.83 H new ATOM 0 HB3 LEU A 75 5.804 -2.090 6.115 1.00 0.83 H new ATOM 0 HG LEU A 75 6.768 -1.796 3.905 1.00 0.92 H new ATOM 0 HD11 LEU A 75 4.708 -1.675 2.558 1.00 1.13 H new ATOM 0 HD12 LEU A 75 4.486 -2.662 4.022 1.00 1.13 H new ATOM 0 HD13 LEU A 75 3.837 -1.006 3.959 1.00 1.13 H new ATOM 0 HD21 LEU A 75 6.304 0.211 2.553 1.00 1.15 H new ATOM 0 HD22 LEU A 75 5.508 0.965 3.956 1.00 1.15 H new ATOM 0 HD23 LEU A 75 7.249 0.598 4.011 1.00 1.15 H new ATOM 1231 N SER A 76 4.128 -1.214 8.413 1.00 0.78 N ATOM 1232 CA SER A 76 3.260 -1.985 9.286 1.00 0.80 C ATOM 1233 C SER A 76 1.921 -1.265 9.461 1.00 0.76 C ATOM 1234 O SER A 76 0.878 -1.897 9.612 1.00 0.77 O ATOM 1235 CB SER A 76 3.940 -2.210 10.637 1.00 0.85 C ATOM 1236 OG SER A 76 5.287 -2.625 10.459 1.00 0.88 O ATOM 0 H SER A 76 4.955 -0.831 8.871 1.00 0.78 H new ATOM 0 HA SER A 76 3.069 -2.958 8.834 1.00 0.80 H new ATOM 0 HB2 SER A 76 3.912 -1.290 11.221 1.00 0.85 H new ATOM 0 HB3 SER A 76 3.394 -2.964 11.203 1.00 0.85 H new ATOM 0 HG SER A 76 5.705 -2.762 11.334 1.00 0.88 H new ATOM 1242 N LYS A 77 1.957 0.067 9.416 1.00 0.75 N ATOM 1243 CA LYS A 77 0.745 0.869 9.544 1.00 0.74 C ATOM 1244 C LYS A 77 -0.114 0.690 8.301 1.00 0.71 C ATOM 1245 O LYS A 77 -1.342 0.708 8.370 1.00 0.70 O ATOM 1246 CB LYS A 77 1.084 2.346 9.748 1.00 0.76 C ATOM 1247 CG LYS A 77 1.719 2.635 11.105 1.00 0.90 C ATOM 1248 CD LYS A 77 1.985 4.122 11.307 1.00 0.98 C ATOM 1249 CE LYS A 77 0.702 4.896 11.579 1.00 1.35 C ATOM 1250 NZ LYS A 77 0.973 6.306 11.965 1.00 1.61 N ATOM 0 H LYS A 77 2.811 0.610 9.292 1.00 0.75 H new ATOM 0 HA LYS A 77 0.191 0.530 10.420 1.00 0.74 H new ATOM 0 HB2 LYS A 77 1.764 2.668 8.960 1.00 0.76 H new ATOM 0 HB3 LYS A 77 0.175 2.938 9.646 1.00 0.76 H new ATOM 0 HG2 LYS A 77 1.063 2.274 11.897 1.00 0.90 H new ATOM 0 HG3 LYS A 77 2.656 2.084 11.191 1.00 0.90 H new ATOM 0 HD2 LYS A 77 2.675 4.258 12.140 1.00 0.98 H new ATOM 0 HD3 LYS A 77 2.473 4.527 10.420 1.00 0.98 H new ATOM 0 HE2 LYS A 77 0.072 4.878 10.689 1.00 1.35 H new ATOM 0 HE3 LYS A 77 0.143 4.403 12.375 1.00 1.35 H new ATOM 0 HZ1 LYS A 77 0.073 6.797 12.141 1.00 1.61 H new ATOM 0 HZ2 LYS A 77 1.552 6.324 12.829 1.00 1.61 H new ATOM 0 HZ3 LYS A 77 1.484 6.785 11.196 1.00 1.61 H new ATOM 1264 N ILE A 78 0.549 0.516 7.163 1.00 0.71 N ATOM 1265 CA ILE A 78 -0.141 0.294 5.900 1.00 0.71 C ATOM 1266 C ILE A 78 -0.876 -1.041 5.974 1.00 0.70 C ATOM 1267 O ILE A 78 -2.046 -1.149 5.605 1.00 0.69 O ATOM 1268 CB ILE A 78 0.843 0.276 4.705 1.00 0.77 C ATOM 1269 CG1 ILE A 78 1.612 1.603 4.612 1.00 1.04 C ATOM 1270 CG2 ILE A 78 0.103 -0.008 3.403 1.00 0.84 C ATOM 1271 CD1 ILE A 78 0.759 2.795 4.215 1.00 1.33 C ATOM 0 H ILE A 78 1.566 0.525 7.091 1.00 0.71 H new ATOM 0 HA ILE A 78 -0.842 1.113 5.739 1.00 0.71 H new ATOM 0 HB ILE A 78 1.564 -0.524 4.871 1.00 0.77 H new ATOM 0 HG12 ILE A 78 2.076 1.809 5.577 1.00 1.04 H new ATOM 0 HG13 ILE A 78 2.419 1.492 3.888 1.00 1.04 H new ATOM 0 HG21 ILE A 78 0.813 -0.016 2.576 1.00 0.84 H new ATOM 0 HG22 ILE A 78 -0.389 -0.978 3.469 1.00 0.84 H new ATOM 0 HG23 ILE A 78 -0.644 0.767 3.233 1.00 0.84 H new ATOM 0 HD11 ILE A 78 1.381 3.689 4.173 1.00 1.33 H new ATOM 0 HD12 ILE A 78 0.316 2.615 3.236 1.00 1.33 H new ATOM 0 HD13 ILE A 78 -0.032 2.937 4.951 1.00 1.33 H new ATOM 1283 N GLU A 79 -0.169 -2.042 6.498 1.00 0.72 N ATOM 1284 CA GLU A 79 -0.708 -3.385 6.674 1.00 0.74 C ATOM 1285 C GLU A 79 -1.945 -3.345 7.575 1.00 0.73 C ATOM 1286 O GLU A 79 -2.873 -4.138 7.409 1.00 0.74 O ATOM 1287 CB GLU A 79 0.365 -4.303 7.279 1.00 0.79 C ATOM 1288 CG GLU A 79 -0.033 -5.773 7.339 1.00 1.00 C ATOM 1289 CD GLU A 79 0.043 -6.464 5.992 1.00 1.32 C ATOM 1290 OE1 GLU A 79 1.081 -6.347 5.312 1.00 1.95 O ATOM 1291 OE2 GLU A 79 -0.930 -7.153 5.614 1.00 1.93 O ATOM 0 H GLU A 79 0.796 -1.941 6.812 1.00 0.72 H new ATOM 0 HA GLU A 79 -1.002 -3.780 5.701 1.00 0.74 H new ATOM 0 HB2 GLU A 79 1.280 -4.209 6.694 1.00 0.79 H new ATOM 0 HB3 GLU A 79 0.595 -3.959 8.287 1.00 0.79 H new ATOM 0 HG2 GLU A 79 0.617 -6.291 8.044 1.00 1.00 H new ATOM 0 HG3 GLU A 79 -1.049 -5.853 7.725 1.00 1.00 H new ATOM 1298 N LYS A 80 -1.950 -2.406 8.521 1.00 0.72 N ATOM 1299 CA LYS A 80 -3.070 -2.241 9.442 1.00 0.73 C ATOM 1300 C LYS A 80 -4.304 -1.750 8.703 1.00 0.72 C ATOM 1301 O LYS A 80 -5.413 -2.227 8.941 1.00 0.75 O ATOM 1302 CB LYS A 80 -2.712 -1.271 10.572 1.00 0.74 C ATOM 1303 CG LYS A 80 -1.639 -1.807 11.506 1.00 0.81 C ATOM 1304 CD LYS A 80 -1.759 -1.213 12.902 1.00 0.96 C ATOM 1305 CE LYS A 80 -3.022 -1.689 13.606 1.00 1.35 C ATOM 1306 NZ LYS A 80 -3.185 -3.167 13.545 1.00 1.71 N ATOM 0 H LYS A 80 -1.186 -1.746 8.668 1.00 0.72 H new ATOM 0 HA LYS A 80 -3.289 -3.215 9.880 1.00 0.73 H new ATOM 0 HB2 LYS A 80 -2.371 -0.330 10.140 1.00 0.74 H new ATOM 0 HB3 LYS A 80 -3.609 -1.050 11.150 1.00 0.74 H new ATOM 0 HG2 LYS A 80 -1.717 -2.893 11.565 1.00 0.81 H new ATOM 0 HG3 LYS A 80 -0.654 -1.580 11.097 1.00 0.81 H new ATOM 0 HD2 LYS A 80 -0.886 -1.490 13.493 1.00 0.96 H new ATOM 0 HD3 LYS A 80 -1.766 -0.125 12.836 1.00 0.96 H new ATOM 0 HE2 LYS A 80 -2.994 -1.372 14.649 1.00 1.35 H new ATOM 0 HE3 LYS A 80 -3.890 -1.212 13.151 1.00 1.35 H new ATOM 0 HZ1 LYS A 80 -3.913 -3.464 14.226 1.00 1.71 H new ATOM 0 HZ2 LYS A 80 -3.474 -3.445 12.585 1.00 1.71 H new ATOM 0 HZ3 LYS A 80 -2.282 -3.626 13.781 1.00 1.71 H new ATOM 1320 N LEU A 81 -4.103 -0.804 7.791 1.00 0.69 N ATOM 1321 CA LEU A 81 -5.203 -0.263 7.003 1.00 0.71 C ATOM 1322 C LEU A 81 -5.772 -1.364 6.117 1.00 0.72 C ATOM 1323 O LEU A 81 -6.983 -1.456 5.922 1.00 0.76 O ATOM 1324 CB LEU A 81 -4.741 0.930 6.154 1.00 0.71 C ATOM 1325 CG LEU A 81 -5.599 2.201 6.274 1.00 0.78 C ATOM 1326 CD1 LEU A 81 -7.040 1.925 5.869 1.00 1.00 C ATOM 1327 CD2 LEU A 81 -5.543 2.758 7.692 1.00 0.94 C ATOM 0 H LEU A 81 -3.191 -0.398 7.580 1.00 0.69 H new ATOM 0 HA LEU A 81 -5.979 0.097 7.678 1.00 0.71 H new ATOM 0 HB2 LEU A 81 -3.717 1.177 6.433 1.00 0.71 H new ATOM 0 HB3 LEU A 81 -4.722 0.623 5.108 1.00 0.71 H new ATOM 0 HG LEU A 81 -5.190 2.947 5.593 1.00 0.78 H new ATOM 0 HD11 LEU A 81 -7.626 2.839 5.963 1.00 1.00 H new ATOM 0 HD12 LEU A 81 -7.068 1.581 4.835 1.00 1.00 H new ATOM 0 HD13 LEU A 81 -7.460 1.157 6.519 1.00 1.00 H new ATOM 0 HD21 LEU A 81 -6.157 3.657 7.754 1.00 0.94 H new ATOM 0 HD22 LEU A 81 -5.920 2.012 8.391 1.00 0.94 H new ATOM 0 HD23 LEU A 81 -4.512 3.004 7.946 1.00 0.94 H new ATOM 1339 N ILE A 82 -4.887 -2.214 5.604 1.00 0.72 N ATOM 1340 CA ILE A 82 -5.291 -3.333 4.765 1.00 0.76 C ATOM 1341 C ILE A 82 -6.106 -4.327 5.598 1.00 0.80 C ATOM 1342 O ILE A 82 -7.066 -4.925 5.119 1.00 0.84 O ATOM 1343 CB ILE A 82 -4.061 -4.039 4.140 1.00 0.75 C ATOM 1344 CG1 ILE A 82 -3.219 -3.026 3.349 1.00 0.74 C ATOM 1345 CG2 ILE A 82 -4.500 -5.192 3.245 1.00 0.80 C ATOM 1346 CD1 ILE A 82 -2.037 -3.631 2.615 1.00 0.77 C ATOM 0 H ILE A 82 -3.881 -2.147 5.757 1.00 0.72 H new ATOM 0 HA ILE A 82 -5.905 -2.951 3.949 1.00 0.76 H new ATOM 0 HB ILE A 82 -3.448 -4.450 4.942 1.00 0.75 H new ATOM 0 HG12 ILE A 82 -3.862 -2.524 2.626 1.00 0.74 H new ATOM 0 HG13 ILE A 82 -2.853 -2.262 4.035 1.00 0.74 H new ATOM 0 HG21 ILE A 82 -3.622 -5.674 2.816 1.00 0.80 H new ATOM 0 HG22 ILE A 82 -5.061 -5.917 3.835 1.00 0.80 H new ATOM 0 HG23 ILE A 82 -5.132 -4.810 2.443 1.00 0.80 H new ATOM 0 HD11 ILE A 82 -1.498 -2.846 2.084 1.00 0.77 H new ATOM 0 HD12 ILE A 82 -1.369 -4.108 3.332 1.00 0.77 H new ATOM 0 HD13 ILE A 82 -2.393 -4.374 1.901 1.00 0.77 H new ATOM 1358 N GLU A 83 -5.727 -4.459 6.865 1.00 0.80 N ATOM 1359 CA GLU A 83 -6.411 -5.348 7.797 1.00 0.86 C ATOM 1360 C GLU A 83 -7.787 -4.787 8.145 1.00 0.85 C ATOM 1361 O GLU A 83 -8.705 -5.520 8.515 1.00 0.90 O ATOM 1362 CB GLU A 83 -5.578 -5.517 9.068 1.00 0.90 C ATOM 1363 CG GLU A 83 -6.079 -6.617 9.987 1.00 1.24 C ATOM 1364 CD GLU A 83 -6.130 -7.966 9.306 1.00 1.70 C ATOM 1365 OE1 GLU A 83 -5.056 -8.510 8.980 1.00 2.18 O ATOM 1366 OE2 GLU A 83 -7.244 -8.482 9.086 1.00 2.36 O ATOM 0 H GLU A 83 -4.940 -3.955 7.273 1.00 0.80 H new ATOM 0 HA GLU A 83 -6.537 -6.322 7.325 1.00 0.86 H new ATOM 0 HB2 GLU A 83 -4.546 -5.731 8.789 1.00 0.90 H new ATOM 0 HB3 GLU A 83 -5.571 -4.574 9.615 1.00 0.90 H new ATOM 0 HG2 GLU A 83 -5.430 -6.679 10.860 1.00 1.24 H new ATOM 0 HG3 GLU A 83 -7.075 -6.358 10.348 1.00 1.24 H new ATOM 1373 N THR A 84 -7.921 -3.476 8.026 1.00 0.82 N ATOM 1374 CA THR A 84 -9.180 -2.806 8.302 1.00 0.84 C ATOM 1375 C THR A 84 -10.185 -3.125 7.197 1.00 0.89 C ATOM 1376 O THR A 84 -11.393 -2.949 7.356 1.00 0.92 O ATOM 1377 CB THR A 84 -8.974 -1.279 8.412 1.00 0.83 C ATOM 1378 OG1 THR A 84 -7.884 -0.997 9.303 1.00 0.84 O ATOM 1379 CG2 THR A 84 -10.226 -0.579 8.917 1.00 0.85 C ATOM 0 H THR A 84 -7.167 -2.852 7.738 1.00 0.82 H new ATOM 0 HA THR A 84 -9.567 -3.166 9.255 1.00 0.84 H new ATOM 0 HB THR A 84 -8.750 -0.903 7.414 1.00 0.83 H new ATOM 0 HG1 THR A 84 -7.059 -1.384 8.943 1.00 0.84 H new ATOM 0 HG21 THR A 84 -10.042 0.494 8.981 1.00 0.85 H new ATOM 0 HG22 THR A 84 -11.050 -0.766 8.228 1.00 0.85 H new ATOM 0 HG23 THR A 84 -10.484 -0.963 9.904 1.00 0.85 H new ATOM 1387 N LEU A 85 -9.674 -3.623 6.079 1.00 0.93 N ATOM 1388 CA LEU A 85 -10.516 -3.980 4.951 1.00 1.01 C ATOM 1389 C LEU A 85 -11.131 -5.357 5.166 1.00 1.08 C ATOM 1390 O LEU A 85 -12.054 -5.751 4.451 1.00 1.17 O ATOM 1391 CB LEU A 85 -9.709 -3.945 3.652 1.00 1.04 C ATOM 1392 CG LEU A 85 -9.083 -2.590 3.311 1.00 1.05 C ATOM 1393 CD1 LEU A 85 -8.236 -2.700 2.051 1.00 1.22 C ATOM 1394 CD2 LEU A 85 -10.152 -1.521 3.141 1.00 1.13 C ATOM 0 H LEU A 85 -8.678 -3.788 5.931 1.00 0.93 H new ATOM 0 HA LEU A 85 -11.323 -3.252 4.872 1.00 1.01 H new ATOM 0 HB2 LEU A 85 -8.915 -4.689 3.716 1.00 1.04 H new ATOM 0 HB3 LEU A 85 -10.360 -4.244 2.830 1.00 1.04 H new ATOM 0 HG LEU A 85 -8.440 -2.295 4.141 1.00 1.05 H new ATOM 0 HD11 LEU A 85 -7.798 -1.729 1.821 1.00 1.22 H new ATOM 0 HD12 LEU A 85 -7.441 -3.429 2.209 1.00 1.22 H new ATOM 0 HD13 LEU A 85 -8.862 -3.021 1.219 1.00 1.22 H new ATOM 0 HD21 LEU A 85 -9.679 -0.569 2.899 1.00 1.13 H new ATOM 0 HD22 LEU A 85 -10.827 -1.806 2.334 1.00 1.13 H new ATOM 0 HD23 LEU A 85 -10.717 -1.421 4.068 1.00 1.13 H new ATOM 1406 N SER A 86 -10.622 -6.080 6.159 1.00 1.18 N ATOM 1407 CA SER A 86 -11.129 -7.402 6.483 1.00 1.31 C ATOM 1408 C SER A 86 -12.468 -7.283 7.209 1.00 1.73 C ATOM 1409 O SER A 86 -12.554 -6.650 8.263 1.00 2.31 O ATOM 1410 CB SER A 86 -10.130 -8.158 7.362 1.00 1.71 C ATOM 1411 OG SER A 86 -8.793 -7.916 6.945 1.00 1.97 O ATOM 0 H SER A 86 -9.855 -5.767 6.754 1.00 1.18 H new ATOM 0 HA SER A 86 -11.270 -7.957 5.555 1.00 1.31 H new ATOM 0 HB2 SER A 86 -10.251 -7.851 8.401 1.00 1.71 H new ATOM 0 HB3 SER A 86 -10.339 -9.227 7.319 1.00 1.71 H new ATOM 0 HG SER A 86 -8.187 -8.026 7.708 1.00 1.97 H new ATOM 1914 N LYS B 10 15.488 15.665 0.649 1.00 1.52 N ATOM 1915 CA LYS B 10 14.883 14.990 1.794 1.00 1.44 C ATOM 1916 C LYS B 10 13.504 15.557 2.116 1.00 1.38 C ATOM 1917 O LYS B 10 12.549 14.806 2.308 1.00 1.32 O ATOM 1918 CB LYS B 10 15.795 15.120 3.018 1.00 1.48 C ATOM 1919 CG LYS B 10 15.435 14.187 4.166 1.00 1.54 C ATOM 1920 CD LYS B 10 15.810 12.745 3.856 1.00 1.71 C ATOM 1921 CE LYS B 10 15.530 11.829 5.037 1.00 2.08 C ATOM 1922 NZ LYS B 10 15.976 10.430 4.790 1.00 2.41 N ATOM 0 HA LYS B 10 14.762 13.938 1.535 1.00 1.44 H new ATOM 0 HB2 LYS B 10 16.823 14.924 2.714 1.00 1.48 H new ATOM 0 HB3 LYS B 10 15.760 16.149 3.376 1.00 1.48 H new ATOM 0 HG2 LYS B 10 15.948 14.510 5.072 1.00 1.54 H new ATOM 0 HG3 LYS B 10 14.365 14.250 4.365 1.00 1.54 H new ATOM 0 HD2 LYS B 10 15.249 12.401 2.987 1.00 1.71 H new ATOM 0 HD3 LYS B 10 16.867 12.691 3.595 1.00 1.71 H new ATOM 0 HE2 LYS B 10 16.035 12.217 5.922 1.00 2.08 H new ATOM 0 HE3 LYS B 10 14.461 11.834 5.252 1.00 2.08 H new ATOM 0 HZ1 LYS B 10 15.469 9.786 5.430 1.00 2.41 H new ATOM 0 HZ2 LYS B 10 15.772 10.170 3.804 1.00 2.41 H new ATOM 0 HZ3 LYS B 10 16.999 10.356 4.963 1.00 2.41 H new ATOM 1936 N GLU B 11 13.408 16.876 2.176 1.00 1.42 N ATOM 1937 CA GLU B 11 12.146 17.535 2.491 1.00 1.39 C ATOM 1938 C GLU B 11 11.099 17.255 1.415 1.00 1.36 C ATOM 1939 O GLU B 11 9.921 17.063 1.718 1.00 1.30 O ATOM 1940 CB GLU B 11 12.357 19.042 2.632 1.00 1.47 C ATOM 1941 CG GLU B 11 11.165 19.770 3.238 1.00 1.48 C ATOM 1942 CD GLU B 11 10.897 21.101 2.573 1.00 1.62 C ATOM 1943 OE1 GLU B 11 11.471 22.119 3.013 1.00 1.72 O ATOM 1944 OE2 GLU B 11 10.112 21.138 1.601 1.00 1.90 O ATOM 0 H GLU B 11 14.187 17.513 2.011 1.00 1.42 H new ATOM 0 HA GLU B 11 11.783 17.134 3.437 1.00 1.39 H new ATOM 0 HB2 GLU B 11 13.235 19.221 3.252 1.00 1.47 H new ATOM 0 HB3 GLU B 11 12.569 19.464 1.650 1.00 1.47 H new ATOM 0 HG2 GLU B 11 10.279 19.141 3.154 1.00 1.48 H new ATOM 0 HG3 GLU B 11 11.343 19.929 4.302 1.00 1.48 H new ATOM 1951 N LEU B 12 11.545 17.217 0.165 1.00 1.43 N ATOM 1952 CA LEU B 12 10.661 16.971 -0.969 1.00 1.45 C ATOM 1953 C LEU B 12 9.986 15.602 -0.862 1.00 1.36 C ATOM 1954 O LEU B 12 8.758 15.507 -0.874 1.00 1.32 O ATOM 1955 CB LEU B 12 11.438 17.072 -2.290 1.00 1.57 C ATOM 1956 CG LEU B 12 10.611 16.856 -3.560 1.00 1.73 C ATOM 1957 CD1 LEU B 12 9.562 17.944 -3.719 1.00 1.89 C ATOM 1958 CD2 LEU B 12 11.521 16.813 -4.778 1.00 1.89 C ATOM 0 H LEU B 12 12.523 17.355 -0.091 1.00 1.43 H new ATOM 0 HA LEU B 12 9.884 17.736 -0.954 1.00 1.45 H new ATOM 0 HB2 LEU B 12 11.903 18.056 -2.343 1.00 1.57 H new ATOM 0 HB3 LEU B 12 12.245 16.339 -2.274 1.00 1.57 H new ATOM 0 HG LEU B 12 10.094 15.900 -3.473 1.00 1.73 H new ATOM 0 HD11 LEU B 12 8.989 17.767 -4.629 1.00 1.89 H new ATOM 0 HD12 LEU B 12 8.892 17.931 -2.860 1.00 1.89 H new ATOM 0 HD13 LEU B 12 10.052 18.915 -3.783 1.00 1.89 H new ATOM 0 HD21 LEU B 12 10.921 16.659 -5.675 1.00 1.89 H new ATOM 0 HD22 LEU B 12 12.063 17.755 -4.861 1.00 1.89 H new ATOM 0 HD23 LEU B 12 12.232 15.994 -4.672 1.00 1.89 H new ATOM 1970 N LEU B 13 10.787 14.546 -0.734 1.00 1.35 N ATOM 1971 CA LEU B 13 10.246 13.191 -0.644 1.00 1.30 C ATOM 1972 C LEU B 13 9.452 12.983 0.645 1.00 1.18 C ATOM 1973 O LEU B 13 8.414 12.323 0.637 1.00 1.15 O ATOM 1974 CB LEU B 13 11.365 12.139 -0.771 1.00 1.35 C ATOM 1975 CG LEU B 13 12.470 12.203 0.291 1.00 1.32 C ATOM 1976 CD1 LEU B 13 12.234 11.165 1.379 1.00 1.48 C ATOM 1977 CD2 LEU B 13 13.830 11.987 -0.353 1.00 1.50 C ATOM 0 H LEU B 13 11.805 14.601 -0.691 1.00 1.35 H new ATOM 0 HA LEU B 13 9.558 13.062 -1.479 1.00 1.30 H new ATOM 0 HB2 LEU B 13 10.911 11.149 -0.736 1.00 1.35 H new ATOM 0 HB3 LEU B 13 11.826 12.244 -1.753 1.00 1.35 H new ATOM 0 HG LEU B 13 12.448 13.192 0.749 1.00 1.32 H new ATOM 0 HD11 LEU B 13 13.030 11.229 2.121 1.00 1.48 H new ATOM 0 HD12 LEU B 13 11.274 11.353 1.859 1.00 1.48 H new ATOM 0 HD13 LEU B 13 12.229 10.169 0.937 1.00 1.48 H new ATOM 0 HD21 LEU B 13 14.606 12.035 0.411 1.00 1.50 H new ATOM 0 HD22 LEU B 13 13.854 11.009 -0.834 1.00 1.50 H new ATOM 0 HD23 LEU B 13 14.007 12.762 -1.099 1.00 1.50 H new ATOM 1989 N LEU B 14 9.921 13.568 1.745 1.00 1.15 N ATOM 1990 CA LEU B 14 9.248 13.426 3.029 1.00 1.07 C ATOM 1991 C LEU B 14 7.869 14.084 3.004 1.00 1.07 C ATOM 1992 O LEU B 14 6.952 13.648 3.700 1.00 1.02 O ATOM 1993 CB LEU B 14 10.098 14.033 4.147 1.00 1.08 C ATOM 1994 CG LEU B 14 9.701 13.628 5.570 1.00 1.04 C ATOM 1995 CD1 LEU B 14 9.770 12.118 5.735 1.00 1.06 C ATOM 1996 CD2 LEU B 14 10.598 14.321 6.582 1.00 1.14 C ATOM 0 H LEU B 14 10.763 14.143 1.771 1.00 1.15 H new ATOM 0 HA LEU B 14 9.115 12.361 3.221 1.00 1.07 H new ATOM 0 HB2 LEU B 14 11.138 13.750 3.984 1.00 1.08 H new ATOM 0 HB3 LEU B 14 10.048 15.119 4.069 1.00 1.08 H new ATOM 0 HG LEU B 14 8.672 13.941 5.748 1.00 1.04 H new ATOM 0 HD11 LEU B 14 9.485 11.850 6.752 1.00 1.06 H new ATOM 0 HD12 LEU B 14 9.088 11.643 5.030 1.00 1.06 H new ATOM 0 HD13 LEU B 14 10.787 11.777 5.542 1.00 1.06 H new ATOM 0 HD21 LEU B 14 10.306 14.025 7.590 1.00 1.14 H new ATOM 0 HD22 LEU B 14 11.635 14.034 6.406 1.00 1.14 H new ATOM 0 HD23 LEU B 14 10.498 15.401 6.478 1.00 1.14 H new ATOM 2008 N LYS B 15 7.724 15.135 2.209 1.00 1.15 N ATOM 2009 CA LYS B 15 6.446 15.825 2.103 1.00 1.18 C ATOM 2010 C LYS B 15 5.466 14.990 1.288 1.00 1.13 C ATOM 2011 O LYS B 15 4.259 14.984 1.550 1.00 1.11 O ATOM 2012 CB LYS B 15 6.626 17.209 1.480 1.00 1.32 C ATOM 2013 CG LYS B 15 6.127 18.333 2.371 1.00 1.46 C ATOM 2014 CD LYS B 15 7.039 19.542 2.316 1.00 1.55 C ATOM 2015 CE LYS B 15 6.920 20.275 0.990 1.00 1.76 C ATOM 2016 NZ LYS B 15 7.611 21.585 1.027 1.00 1.80 N ATOM 0 H LYS B 15 8.469 15.526 1.632 1.00 1.15 H new ATOM 0 HA LYS B 15 6.040 15.959 3.106 1.00 1.18 H new ATOM 0 HB2 LYS B 15 7.682 17.368 1.262 1.00 1.32 H new ATOM 0 HB3 LYS B 15 6.095 17.245 0.529 1.00 1.32 H new ATOM 0 HG2 LYS B 15 5.122 18.622 2.063 1.00 1.46 H new ATOM 0 HG3 LYS B 15 6.056 17.978 3.399 1.00 1.46 H new ATOM 0 HD2 LYS B 15 6.792 20.222 3.131 1.00 1.55 H new ATOM 0 HD3 LYS B 15 8.071 19.226 2.466 1.00 1.55 H new ATOM 0 HE2 LYS B 15 7.344 19.662 0.195 1.00 1.76 H new ATOM 0 HE3 LYS B 15 5.867 20.425 0.750 1.00 1.76 H new ATOM 0 HZ1 LYS B 15 7.823 21.893 0.057 1.00 1.80 H new ATOM 0 HZ2 LYS B 15 6.998 22.288 1.488 1.00 1.80 H new ATOM 0 HZ3 LYS B 15 8.498 21.495 1.563 1.00 1.80 H new ATOM 2030 N LYS B 16 5.994 14.277 0.301 1.00 1.14 N ATOM 2031 CA LYS B 16 5.174 13.414 -0.542 1.00 1.14 C ATOM 2032 C LYS B 16 4.612 12.262 0.287 1.00 1.03 C ATOM 2033 O LYS B 16 3.433 11.934 0.195 1.00 1.01 O ATOM 2034 CB LYS B 16 5.997 12.854 -1.704 1.00 1.22 C ATOM 2035 CG LYS B 16 6.609 13.922 -2.598 1.00 1.31 C ATOM 2036 CD LYS B 16 5.630 14.387 -3.665 1.00 1.30 C ATOM 2037 CE LYS B 16 6.191 15.557 -4.459 1.00 1.45 C ATOM 2038 NZ LYS B 16 5.373 15.853 -5.666 1.00 1.65 N ATOM 0 H LYS B 16 6.986 14.279 0.064 1.00 1.14 H new ATOM 0 HA LYS B 16 4.354 14.007 -0.947 1.00 1.14 H new ATOM 0 HB2 LYS B 16 6.795 12.229 -1.303 1.00 1.22 H new ATOM 0 HB3 LYS B 16 5.360 12.209 -2.309 1.00 1.22 H new ATOM 0 HG2 LYS B 16 6.917 14.773 -1.991 1.00 1.31 H new ATOM 0 HG3 LYS B 16 7.507 13.528 -3.074 1.00 1.31 H new ATOM 0 HD2 LYS B 16 5.406 13.561 -4.340 1.00 1.30 H new ATOM 0 HD3 LYS B 16 4.691 14.680 -3.196 1.00 1.30 H new ATOM 0 HE2 LYS B 16 6.232 16.441 -3.823 1.00 1.45 H new ATOM 0 HE3 LYS B 16 7.214 15.334 -4.760 1.00 1.45 H new ATOM 0 HZ1 LYS B 16 5.789 16.656 -6.179 1.00 1.65 H new ATOM 0 HZ2 LYS B 16 5.355 15.018 -6.286 1.00 1.65 H new ATOM 0 HZ3 LYS B 16 4.403 16.091 -5.378 1.00 1.65 H new ATOM 2052 N ILE B 17 5.469 11.670 1.111 1.00 0.98 N ATOM 2053 CA ILE B 17 5.078 10.549 1.965 1.00 0.92 C ATOM 2054 C ILE B 17 4.083 10.984 3.042 1.00 0.89 C ATOM 2055 O ILE B 17 3.177 10.229 3.405 1.00 0.86 O ATOM 2056 CB ILE B 17 6.321 9.907 2.619 1.00 0.94 C ATOM 2057 CG1 ILE B 17 7.282 9.413 1.536 1.00 1.00 C ATOM 2058 CG2 ILE B 17 5.919 8.758 3.533 1.00 1.00 C ATOM 2059 CD1 ILE B 17 8.656 9.055 2.057 1.00 0.96 C ATOM 0 H ILE B 17 6.446 11.948 1.208 1.00 0.98 H new ATOM 0 HA ILE B 17 4.587 9.810 1.332 1.00 0.92 H new ATOM 0 HB ILE B 17 6.823 10.662 3.224 1.00 0.94 H new ATOM 0 HG12 ILE B 17 6.849 8.539 1.050 1.00 1.00 H new ATOM 0 HG13 ILE B 17 7.383 10.185 0.773 1.00 1.00 H new ATOM 0 HG21 ILE B 17 6.811 8.321 3.982 1.00 1.00 H new ATOM 0 HG22 ILE B 17 5.262 9.131 4.319 1.00 1.00 H new ATOM 0 HG23 ILE B 17 5.396 7.998 2.953 1.00 1.00 H new ATOM 0 HD11 ILE B 17 9.281 8.713 1.232 1.00 0.96 H new ATOM 0 HD12 ILE B 17 9.111 9.932 2.517 1.00 0.96 H new ATOM 0 HD13 ILE B 17 8.568 8.261 2.798 1.00 0.96 H new ATOM 2071 N ASP B 18 4.241 12.206 3.540 1.00 0.94 N ATOM 2072 CA ASP B 18 3.344 12.746 4.566 1.00 0.99 C ATOM 2073 C ASP B 18 1.906 12.770 4.058 1.00 0.96 C ATOM 2074 O ASP B 18 0.969 12.391 4.758 1.00 0.94 O ATOM 2075 CB ASP B 18 3.781 14.161 4.954 1.00 1.14 C ATOM 2076 CG ASP B 18 2.955 14.751 6.076 1.00 1.29 C ATOM 2077 OD1 ASP B 18 3.269 14.487 7.259 1.00 1.59 O ATOM 2078 OD2 ASP B 18 2.002 15.507 5.790 1.00 1.88 O ATOM 0 H ASP B 18 4.982 12.845 3.252 1.00 0.94 H new ATOM 0 HA ASP B 18 3.395 12.102 5.444 1.00 0.99 H new ATOM 0 HB2 ASP B 18 4.829 14.142 5.254 1.00 1.14 H new ATOM 0 HB3 ASP B 18 3.711 14.809 4.080 1.00 1.14 H new ATOM 2083 N SER B 19 1.754 13.204 2.816 1.00 0.98 N ATOM 2084 CA SER B 19 0.449 13.294 2.178 1.00 0.99 C ATOM 2085 C SER B 19 -0.076 11.913 1.818 1.00 0.91 C ATOM 2086 O SER B 19 -1.283 11.695 1.770 1.00 0.90 O ATOM 2087 CB SER B 19 0.531 14.156 0.921 1.00 1.10 C ATOM 2088 OG SER B 19 1.210 15.375 1.177 1.00 1.21 O ATOM 0 H SER B 19 2.529 13.503 2.224 1.00 0.98 H new ATOM 0 HA SER B 19 -0.240 13.755 2.886 1.00 0.99 H new ATOM 0 HB2 SER B 19 1.048 13.607 0.134 1.00 1.10 H new ATOM 0 HB3 SER B 19 -0.474 14.367 0.555 1.00 1.10 H new ATOM 0 HG SER B 19 2.172 15.203 1.257 1.00 1.21 H new ATOM 2094 N LEU B 20 0.849 10.998 1.567 1.00 0.87 N ATOM 2095 CA LEU B 20 0.521 9.631 1.175 1.00 0.84 C ATOM 2096 C LEU B 20 -0.385 8.945 2.198 1.00 0.80 C ATOM 2097 O LEU B 20 -1.452 8.441 1.849 1.00 0.79 O ATOM 2098 CB LEU B 20 1.821 8.842 1.001 1.00 0.86 C ATOM 2099 CG LEU B 20 1.698 7.476 0.335 1.00 0.91 C ATOM 2100 CD1 LEU B 20 2.191 7.567 -1.099 1.00 1.07 C ATOM 2101 CD2 LEU B 20 2.491 6.455 1.130 1.00 1.35 C ATOM 0 H LEU B 20 1.851 11.181 1.629 1.00 0.87 H new ATOM 0 HA LEU B 20 -0.029 9.662 0.234 1.00 0.84 H new ATOM 0 HB2 LEU B 20 2.513 9.447 0.415 1.00 0.86 H new ATOM 0 HB3 LEU B 20 2.272 8.704 1.984 1.00 0.86 H new ATOM 0 HG LEU B 20 0.656 7.158 0.316 1.00 0.91 H new ATOM 0 HD11 LEU B 20 2.104 6.591 -1.576 1.00 1.07 H new ATOM 0 HD12 LEU B 20 1.589 8.293 -1.645 1.00 1.07 H new ATOM 0 HD13 LEU B 20 3.234 7.882 -1.106 1.00 1.07 H new ATOM 0 HD21 LEU B 20 2.404 5.477 0.656 1.00 1.35 H new ATOM 0 HD22 LEU B 20 3.539 6.752 1.160 1.00 1.35 H new ATOM 0 HD23 LEU B 20 2.100 6.401 2.146 1.00 1.35 H new ATOM 2113 N ILE B 21 0.026 8.959 3.460 1.00 0.81 N ATOM 2114 CA ILE B 21 -0.759 8.326 4.518 1.00 0.82 C ATOM 2115 C ILE B 21 -2.042 9.100 4.796 1.00 0.81 C ATOM 2116 O ILE B 21 -3.072 8.513 5.129 1.00 0.81 O ATOM 2117 CB ILE B 21 0.049 8.166 5.825 1.00 0.88 C ATOM 2118 CG1 ILE B 21 0.729 9.480 6.221 1.00 1.19 C ATOM 2119 CG2 ILE B 21 1.075 7.050 5.679 1.00 1.21 C ATOM 2120 CD1 ILE B 21 1.317 9.449 7.613 1.00 1.38 C ATOM 0 H ILE B 21 0.891 9.397 3.776 1.00 0.81 H new ATOM 0 HA ILE B 21 -1.018 7.331 4.156 1.00 0.82 H new ATOM 0 HB ILE B 21 -0.645 7.899 6.622 1.00 0.88 H new ATOM 0 HG12 ILE B 21 1.519 9.703 5.504 1.00 1.19 H new ATOM 0 HG13 ILE B 21 0.003 10.291 6.158 1.00 1.19 H new ATOM 0 HG21 ILE B 21 1.637 6.949 6.607 1.00 1.21 H new ATOM 0 HG22 ILE B 21 0.564 6.112 5.460 1.00 1.21 H new ATOM 0 HG23 ILE B 21 1.759 7.289 4.865 1.00 1.21 H new ATOM 0 HD11 ILE B 21 1.784 10.409 7.832 1.00 1.38 H new ATOM 0 HD12 ILE B 21 0.526 9.256 8.338 1.00 1.38 H new ATOM 0 HD13 ILE B 21 2.066 8.659 7.674 1.00 1.38 H new ATOM 2132 N GLU B 22 -1.984 10.414 4.645 1.00 0.83 N ATOM 2133 CA GLU B 22 -3.149 11.251 4.877 1.00 0.86 C ATOM 2134 C GLU B 22 -4.213 11.001 3.816 1.00 0.83 C ATOM 2135 O GLU B 22 -5.404 10.981 4.114 1.00 0.84 O ATOM 2136 CB GLU B 22 -2.749 12.720 4.886 1.00 0.94 C ATOM 2137 CG GLU B 22 -2.727 13.325 6.275 1.00 1.11 C ATOM 2138 CD GLU B 22 -4.120 13.552 6.813 1.00 1.55 C ATOM 2139 OE1 GLU B 22 -4.783 14.502 6.347 1.00 1.98 O ATOM 2140 OE2 GLU B 22 -4.562 12.789 7.695 1.00 1.95 O ATOM 0 H GLU B 22 -1.145 10.922 4.364 1.00 0.83 H new ATOM 0 HA GLU B 22 -3.568 10.994 5.850 1.00 0.86 H new ATOM 0 HB2 GLU B 22 -1.762 12.824 4.436 1.00 0.94 H new ATOM 0 HB3 GLU B 22 -3.444 13.283 4.263 1.00 0.94 H new ATOM 0 HG2 GLU B 22 -2.180 12.666 6.949 1.00 1.11 H new ATOM 0 HG3 GLU B 22 -2.189 14.273 6.250 1.00 1.11 H new ATOM 2147 N ALA B 23 -3.774 10.816 2.579 1.00 0.82 N ATOM 2148 CA ALA B 23 -4.680 10.557 1.472 1.00 0.83 C ATOM 2149 C ALA B 23 -5.407 9.236 1.682 1.00 0.79 C ATOM 2150 O ALA B 23 -6.626 9.150 1.527 1.00 0.80 O ATOM 2151 CB ALA B 23 -3.911 10.533 0.163 1.00 0.86 C ATOM 0 H ALA B 23 -2.789 10.841 2.317 1.00 0.82 H new ATOM 0 HA ALA B 23 -5.419 11.357 1.430 1.00 0.83 H new ATOM 0 HB1 ALA B 23 -4.599 10.338 -0.660 1.00 0.86 H new ATOM 0 HB2 ALA B 23 -3.425 11.496 0.009 1.00 0.86 H new ATOM 0 HB3 ALA B 23 -3.156 9.747 0.199 1.00 0.86 H new ATOM 2157 N ILE B 24 -4.641 8.215 2.046 1.00 0.78 N ATOM 2158 CA ILE B 24 -5.187 6.890 2.299 1.00 0.78 C ATOM 2159 C ILE B 24 -6.183 6.934 3.457 1.00 0.74 C ATOM 2160 O ILE B 24 -7.257 6.326 3.397 1.00 0.74 O ATOM 2161 CB ILE B 24 -4.061 5.873 2.606 1.00 0.83 C ATOM 2162 CG1 ILE B 24 -3.260 5.579 1.338 1.00 0.99 C ATOM 2163 CG2 ILE B 24 -4.628 4.579 3.181 1.00 1.03 C ATOM 2164 CD1 ILE B 24 -1.827 5.156 1.599 1.00 0.89 C ATOM 0 H ILE B 24 -3.631 8.282 2.173 1.00 0.78 H new ATOM 0 HA ILE B 24 -5.706 6.565 1.398 1.00 0.78 H new ATOM 0 HB ILE B 24 -3.401 6.314 3.353 1.00 0.83 H new ATOM 0 HG12 ILE B 24 -3.764 4.792 0.776 1.00 0.99 H new ATOM 0 HG13 ILE B 24 -3.257 6.468 0.708 1.00 0.99 H new ATOM 0 HG21 ILE B 24 -3.813 3.884 3.386 1.00 1.03 H new ATOM 0 HG22 ILE B 24 -5.162 4.795 4.106 1.00 1.03 H new ATOM 0 HG23 ILE B 24 -5.314 4.131 2.462 1.00 1.03 H new ATOM 0 HD11 ILE B 24 -1.325 4.966 0.650 1.00 0.89 H new ATOM 0 HD12 ILE B 24 -1.305 5.950 2.133 1.00 0.89 H new ATOM 0 HD13 ILE B 24 -1.820 4.248 2.202 1.00 0.89 H new ATOM 2176 N LYS B 25 -5.829 7.672 4.503 1.00 0.74 N ATOM 2177 CA LYS B 25 -6.687 7.809 5.671 1.00 0.75 C ATOM 2178 C LYS B 25 -7.980 8.532 5.302 1.00 0.78 C ATOM 2179 O LYS B 25 -9.055 8.204 5.806 1.00 0.80 O ATOM 2180 CB LYS B 25 -5.963 8.581 6.776 1.00 0.79 C ATOM 2181 CG LYS B 25 -6.759 8.692 8.065 1.00 0.88 C ATOM 2182 CD LYS B 25 -6.712 7.400 8.862 1.00 1.17 C ATOM 2183 CE LYS B 25 -7.404 7.550 10.203 1.00 1.48 C ATOM 2184 NZ LYS B 25 -6.884 8.712 10.971 1.00 1.72 N ATOM 0 H LYS B 25 -4.950 8.186 4.565 1.00 0.74 H new ATOM 0 HA LYS B 25 -6.931 6.811 6.034 1.00 0.75 H new ATOM 0 HB2 LYS B 25 -5.013 8.090 6.987 1.00 0.79 H new ATOM 0 HB3 LYS B 25 -5.731 9.583 6.415 1.00 0.79 H new ATOM 0 HG2 LYS B 25 -6.363 9.508 8.669 1.00 0.88 H new ATOM 0 HG3 LYS B 25 -7.795 8.941 7.834 1.00 0.88 H new ATOM 0 HD2 LYS B 25 -7.189 6.602 8.292 1.00 1.17 H new ATOM 0 HD3 LYS B 25 -5.674 7.105 9.018 1.00 1.17 H new ATOM 0 HE2 LYS B 25 -8.476 7.669 10.046 1.00 1.48 H new ATOM 0 HE3 LYS B 25 -7.266 6.639 10.786 1.00 1.48 H new ATOM 0 HZ1 LYS B 25 -7.129 8.602 11.976 1.00 1.72 H new ATOM 0 HZ2 LYS B 25 -5.850 8.760 10.870 1.00 1.72 H new ATOM 0 HZ3 LYS B 25 -7.308 9.588 10.605 1.00 1.72 H new ATOM 2198 N LYS B 26 -7.873 9.514 4.418 1.00 0.80 N ATOM 2199 CA LYS B 26 -9.032 10.273 3.983 1.00 0.85 C ATOM 2200 C LYS B 26 -9.968 9.393 3.168 1.00 0.83 C ATOM 2201 O LYS B 26 -11.185 9.481 3.309 1.00 0.86 O ATOM 2202 CB LYS B 26 -8.612 11.499 3.166 1.00 0.91 C ATOM 2203 CG LYS B 26 -8.569 12.791 3.977 1.00 1.01 C ATOM 2204 CD LYS B 26 -9.914 13.512 3.969 1.00 1.13 C ATOM 2205 CE LYS B 26 -10.951 12.804 4.828 1.00 1.38 C ATOM 2206 NZ LYS B 26 -12.268 13.492 4.793 1.00 1.39 N ATOM 0 H LYS B 26 -6.994 9.802 3.989 1.00 0.80 H new ATOM 0 HA LYS B 26 -9.560 10.620 4.871 1.00 0.85 H new ATOM 0 HB2 LYS B 26 -7.627 11.318 2.735 1.00 0.91 H new ATOM 0 HB3 LYS B 26 -9.305 11.625 2.334 1.00 0.91 H new ATOM 0 HG2 LYS B 26 -8.284 12.565 5.005 1.00 1.01 H new ATOM 0 HG3 LYS B 26 -7.801 13.450 3.571 1.00 1.01 H new ATOM 0 HD2 LYS B 26 -9.780 14.531 4.331 1.00 1.13 H new ATOM 0 HD3 LYS B 26 -10.280 13.583 2.945 1.00 1.13 H new ATOM 0 HE2 LYS B 26 -11.069 11.777 4.481 1.00 1.38 H new ATOM 0 HE3 LYS B 26 -10.596 12.754 5.857 1.00 1.38 H new ATOM 0 HZ1 LYS B 26 -12.665 13.531 5.753 1.00 1.39 H new ATOM 0 HZ2 LYS B 26 -12.145 14.459 4.430 1.00 1.39 H new ATOM 0 HZ3 LYS B 26 -12.917 12.968 4.171 1.00 1.39 H new ATOM 2220 N ILE B 27 -9.389 8.532 2.337 1.00 0.80 N ATOM 2221 CA ILE B 27 -10.169 7.626 1.495 1.00 0.81 C ATOM 2222 C ILE B 27 -11.103 6.763 2.340 1.00 0.80 C ATOM 2223 O ILE B 27 -12.305 6.696 2.078 1.00 0.82 O ATOM 2224 CB ILE B 27 -9.254 6.708 0.641 1.00 0.81 C ATOM 2225 CG1 ILE B 27 -8.462 7.534 -0.381 1.00 0.79 C ATOM 2226 CG2 ILE B 27 -10.071 5.629 -0.067 1.00 0.90 C ATOM 2227 CD1 ILE B 27 -7.479 6.714 -1.190 1.00 1.04 C ATOM 0 H ILE B 27 -8.379 8.441 2.227 1.00 0.80 H new ATOM 0 HA ILE B 27 -10.761 8.248 0.824 1.00 0.81 H new ATOM 0 HB ILE B 27 -8.549 6.217 1.312 1.00 0.81 H new ATOM 0 HG12 ILE B 27 -9.160 8.023 -1.060 1.00 0.79 H new ATOM 0 HG13 ILE B 27 -7.921 8.323 0.142 1.00 0.79 H new ATOM 0 HG21 ILE B 27 -9.407 4.999 -0.659 1.00 0.90 H new ATOM 0 HG22 ILE B 27 -10.586 5.018 0.674 1.00 0.90 H new ATOM 0 HG23 ILE B 27 -10.804 6.099 -0.722 1.00 0.90 H new ATOM 0 HD11 ILE B 27 -6.955 7.363 -1.892 1.00 1.04 H new ATOM 0 HD12 ILE B 27 -6.758 6.246 -0.520 1.00 1.04 H new ATOM 0 HD13 ILE B 27 -8.016 5.942 -1.741 1.00 1.04 H new ATOM 2239 N ILE B 28 -10.548 6.126 3.369 1.00 0.78 N ATOM 2240 CA ILE B 28 -11.331 5.265 4.250 1.00 0.78 C ATOM 2241 C ILE B 28 -12.414 6.068 4.983 1.00 0.81 C ATOM 2242 O ILE B 28 -13.516 5.573 5.224 1.00 0.84 O ATOM 2243 CB ILE B 28 -10.427 4.509 5.266 1.00 0.77 C ATOM 2244 CG1 ILE B 28 -11.128 3.248 5.772 1.00 0.80 C ATOM 2245 CG2 ILE B 28 -10.028 5.390 6.442 1.00 0.82 C ATOM 2246 CD1 ILE B 28 -10.989 2.059 4.847 1.00 0.97 C ATOM 0 H ILE B 28 -9.560 6.190 3.612 1.00 0.78 H new ATOM 0 HA ILE B 28 -11.820 4.519 3.623 1.00 0.78 H new ATOM 0 HB ILE B 28 -9.516 4.228 4.738 1.00 0.77 H new ATOM 0 HG12 ILE B 28 -10.723 2.986 6.749 1.00 0.80 H new ATOM 0 HG13 ILE B 28 -12.187 3.464 5.914 1.00 0.80 H new ATOM 0 HG21 ILE B 28 -9.398 4.821 7.125 1.00 0.82 H new ATOM 0 HG22 ILE B 28 -9.477 6.257 6.077 1.00 0.82 H new ATOM 0 HG23 ILE B 28 -10.923 5.724 6.967 1.00 0.82 H new ATOM 0 HD11 ILE B 28 -11.512 1.203 5.273 1.00 0.97 H new ATOM 0 HD12 ILE B 28 -11.421 2.301 3.876 1.00 0.97 H new ATOM 0 HD13 ILE B 28 -9.934 1.815 4.724 1.00 0.97 H new ATOM 2258 N ALA B 29 -12.098 7.316 5.315 1.00 0.82 N ATOM 2259 CA ALA B 29 -13.029 8.187 6.018 1.00 0.87 C ATOM 2260 C ALA B 29 -14.228 8.534 5.141 1.00 0.90 C ATOM 2261 O ALA B 29 -15.373 8.495 5.599 1.00 0.93 O ATOM 2262 CB ALA B 29 -12.323 9.455 6.475 1.00 0.90 C ATOM 0 H ALA B 29 -11.198 7.747 5.106 1.00 0.82 H new ATOM 0 HA ALA B 29 -13.396 7.652 6.894 1.00 0.87 H new ATOM 0 HB1 ALA B 29 -13.031 10.097 6.999 1.00 0.90 H new ATOM 0 HB2 ALA B 29 -11.504 9.194 7.146 1.00 0.90 H new ATOM 0 HB3 ALA B 29 -11.927 9.984 5.608 1.00 0.90 H new ATOM 2268 N GLU B 30 -13.953 8.871 3.882 1.00 0.91 N ATOM 2269 CA GLU B 30 -14.995 9.225 2.923 1.00 0.95 C ATOM 2270 C GLU B 30 -16.008 8.096 2.776 1.00 0.95 C ATOM 2271 O GLU B 30 -17.217 8.321 2.850 1.00 0.96 O ATOM 2272 CB GLU B 30 -14.381 9.530 1.553 1.00 1.00 C ATOM 2273 CG GLU B 30 -13.355 10.648 1.566 1.00 1.02 C ATOM 2274 CD GLU B 30 -13.975 12.004 1.812 1.00 1.13 C ATOM 2275 OE1 GLU B 30 -14.659 12.515 0.908 1.00 1.38 O ATOM 2276 OE2 GLU B 30 -13.772 12.555 2.916 1.00 1.18 O ATOM 0 H GLU B 30 -13.008 8.906 3.501 1.00 0.91 H new ATOM 0 HA GLU B 30 -15.504 10.112 3.300 1.00 0.95 H new ATOM 0 HB2 GLU B 30 -13.911 8.625 1.169 1.00 1.00 H new ATOM 0 HB3 GLU B 30 -15.180 9.793 0.860 1.00 1.00 H new ATOM 0 HG2 GLU B 30 -12.613 10.446 2.339 1.00 1.02 H new ATOM 0 HG3 GLU B 30 -12.826 10.662 0.613 1.00 1.02 H new ATOM 2283 N PHE B 31 -15.497 6.883 2.586 1.00 0.96 N ATOM 2284 CA PHE B 31 -16.333 5.700 2.416 1.00 0.99 C ATOM 2285 C PHE B 31 -17.320 5.539 3.566 1.00 0.97 C ATOM 2286 O PHE B 31 -18.506 5.308 3.340 1.00 1.01 O ATOM 2287 CB PHE B 31 -15.461 4.447 2.296 1.00 1.01 C ATOM 2288 CG PHE B 31 -15.049 4.131 0.881 1.00 1.04 C ATOM 2289 CD1 PHE B 31 -13.893 4.672 0.344 1.00 1.50 C ATOM 2290 CD2 PHE B 31 -15.822 3.300 0.088 1.00 1.68 C ATOM 2291 CE1 PHE B 31 -13.513 4.389 -0.954 1.00 1.59 C ATOM 2292 CE2 PHE B 31 -15.450 3.015 -1.214 1.00 1.83 C ATOM 2293 CZ PHE B 31 -14.294 3.560 -1.735 1.00 1.37 C ATOM 0 H PHE B 31 -14.496 6.693 2.546 1.00 0.96 H new ATOM 0 HA PHE B 31 -16.906 5.831 1.498 1.00 0.99 H new ATOM 0 HB2 PHE B 31 -14.567 4.577 2.905 1.00 1.01 H new ATOM 0 HB3 PHE B 31 -16.005 3.596 2.706 1.00 1.01 H new ATOM 0 HD1 PHE B 31 -13.280 5.324 0.948 1.00 1.50 H new ATOM 0 HD2 PHE B 31 -16.727 2.869 0.491 1.00 1.68 H new ATOM 0 HE1 PHE B 31 -12.606 4.816 -1.357 1.00 1.59 H new ATOM 0 HE2 PHE B 31 -16.064 2.367 -1.822 1.00 1.83 H new ATOM 0 HZ PHE B 31 -14.001 3.339 -2.751 1.00 1.37 H new ATOM 2303 N ASP B 32 -16.828 5.677 4.789 1.00 0.94 N ATOM 2304 CA ASP B 32 -17.664 5.540 5.979 1.00 0.93 C ATOM 2305 C ASP B 32 -18.732 6.640 6.039 1.00 0.93 C ATOM 2306 O ASP B 32 -19.895 6.378 6.366 1.00 0.96 O ATOM 2307 CB ASP B 32 -16.783 5.577 7.233 1.00 0.94 C ATOM 2308 CG ASP B 32 -17.572 5.725 8.518 1.00 1.20 C ATOM 2309 OD1 ASP B 32 -18.132 4.718 9.001 1.00 1.64 O ATOM 2310 OD2 ASP B 32 -17.622 6.850 9.060 1.00 1.54 O ATOM 0 H ASP B 32 -15.849 5.885 4.986 1.00 0.94 H new ATOM 0 HA ASP B 32 -18.182 4.582 5.930 1.00 0.93 H new ATOM 0 HB2 ASP B 32 -16.193 4.662 7.281 1.00 0.94 H new ATOM 0 HB3 ASP B 32 -16.080 6.405 7.150 1.00 0.94 H new ATOM 2315 N VAL B 33 -18.339 7.861 5.693 1.00 0.92 N ATOM 2316 CA VAL B 33 -19.257 8.997 5.723 1.00 0.93 C ATOM 2317 C VAL B 33 -20.352 8.859 4.662 1.00 0.94 C ATOM 2318 O VAL B 33 -21.543 8.943 4.973 1.00 0.95 O ATOM 2319 CB VAL B 33 -18.505 10.334 5.524 1.00 0.94 C ATOM 2320 CG1 VAL B 33 -19.476 11.493 5.351 1.00 1.00 C ATOM 2321 CG2 VAL B 33 -17.571 10.599 6.700 1.00 0.92 C ATOM 0 H VAL B 33 -17.393 8.091 5.389 1.00 0.92 H new ATOM 0 HA VAL B 33 -19.724 9.001 6.708 1.00 0.93 H new ATOM 0 HB VAL B 33 -17.912 10.252 4.613 1.00 0.94 H new ATOM 0 HG11 VAL B 33 -18.917 12.419 5.213 1.00 1.00 H new ATOM 0 HG12 VAL B 33 -20.103 11.315 4.478 1.00 1.00 H new ATOM 0 HG13 VAL B 33 -20.104 11.577 6.238 1.00 1.00 H new ATOM 0 HG21 VAL B 33 -17.049 11.543 6.545 1.00 0.92 H new ATOM 0 HG22 VAL B 33 -18.152 10.652 7.621 1.00 0.92 H new ATOM 0 HG23 VAL B 33 -16.843 9.791 6.776 1.00 0.92 H new ATOM 2331 N VAL B 34 -19.946 8.623 3.420 1.00 0.96 N ATOM 2332 CA VAL B 34 -20.892 8.480 2.315 1.00 0.99 C ATOM 2333 C VAL B 34 -21.836 7.297 2.538 1.00 1.00 C ATOM 2334 O VAL B 34 -23.018 7.363 2.196 1.00 1.02 O ATOM 2335 CB VAL B 34 -20.154 8.301 0.967 1.00 1.02 C ATOM 2336 CG1 VAL B 34 -21.146 8.147 -0.182 1.00 1.21 C ATOM 2337 CG2 VAL B 34 -19.228 9.479 0.706 1.00 1.13 C ATOM 0 H VAL B 34 -18.967 8.526 3.151 1.00 0.96 H new ATOM 0 HA VAL B 34 -21.480 9.397 2.280 1.00 0.99 H new ATOM 0 HB VAL B 34 -19.557 7.391 1.029 1.00 1.02 H new ATOM 0 HG11 VAL B 34 -20.602 8.023 -1.118 1.00 1.21 H new ATOM 0 HG12 VAL B 34 -21.772 7.272 -0.007 1.00 1.21 H new ATOM 0 HG13 VAL B 34 -21.774 9.036 -0.242 1.00 1.21 H new ATOM 0 HG21 VAL B 34 -18.717 9.336 -0.246 1.00 1.13 H new ATOM 0 HG22 VAL B 34 -19.811 10.399 0.671 1.00 1.13 H new ATOM 0 HG23 VAL B 34 -18.491 9.547 1.506 1.00 1.13 H new ATOM 2347 N LYS B 35 -21.314 6.231 3.135 1.00 1.01 N ATOM 2348 CA LYS B 35 -22.100 5.027 3.400 1.00 1.05 C ATOM 2349 C LYS B 35 -23.317 5.335 4.269 1.00 1.03 C ATOM 2350 O LYS B 35 -24.432 4.908 3.974 1.00 1.05 O ATOM 2351 CB LYS B 35 -21.231 3.972 4.084 1.00 1.08 C ATOM 2352 CG LYS B 35 -21.645 2.541 3.792 1.00 1.13 C ATOM 2353 CD LYS B 35 -20.714 1.546 4.474 1.00 1.32 C ATOM 2354 CE LYS B 35 -21.185 1.203 5.882 1.00 1.51 C ATOM 2355 NZ LYS B 35 -22.345 0.273 5.870 1.00 1.86 N ATOM 0 H LYS B 35 -20.344 6.175 3.447 1.00 1.01 H new ATOM 0 HA LYS B 35 -22.454 4.643 2.443 1.00 1.05 H new ATOM 0 HB2 LYS B 35 -20.196 4.110 3.770 1.00 1.08 H new ATOM 0 HB3 LYS B 35 -21.262 4.135 5.161 1.00 1.08 H new ATOM 0 HG2 LYS B 35 -22.667 2.379 4.134 1.00 1.13 H new ATOM 0 HG3 LYS B 35 -21.638 2.370 2.715 1.00 1.13 H new ATOM 0 HD2 LYS B 35 -20.656 0.635 3.878 1.00 1.32 H new ATOM 0 HD3 LYS B 35 -19.707 1.962 4.519 1.00 1.32 H new ATOM 0 HE2 LYS B 35 -20.364 0.751 6.439 1.00 1.51 H new ATOM 0 HE3 LYS B 35 -21.460 2.119 6.406 1.00 1.51 H new ATOM 0 HZ1 LYS B 35 -22.570 -0.014 6.844 1.00 1.86 H new ATOM 0 HZ2 LYS B 35 -23.169 0.751 5.451 1.00 1.86 H new ATOM 0 HZ3 LYS B 35 -22.109 -0.569 5.306 1.00 1.86 H new ATOM 2369 N GLU B 36 -23.102 6.067 5.349 1.00 1.00 N ATOM 2370 CA GLU B 36 -24.193 6.419 6.248 1.00 1.00 C ATOM 2371 C GLU B 36 -25.098 7.476 5.628 1.00 0.96 C ATOM 2372 O GLU B 36 -26.312 7.460 5.828 1.00 0.97 O ATOM 2373 CB GLU B 36 -23.647 6.902 7.592 1.00 1.01 C ATOM 2374 CG GLU B 36 -24.557 6.575 8.765 1.00 1.15 C ATOM 2375 CD GLU B 36 -25.083 5.155 8.703 1.00 1.29 C ATOM 2376 OE1 GLU B 36 -24.261 4.213 8.705 1.00 1.57 O ATOM 2377 OE2 GLU B 36 -26.315 4.975 8.629 1.00 1.40 O ATOM 0 H GLU B 36 -22.189 6.428 5.625 1.00 1.00 H new ATOM 0 HA GLU B 36 -24.790 5.523 6.417 1.00 1.00 H new ATOM 0 HB2 GLU B 36 -22.670 6.450 7.763 1.00 1.01 H new ATOM 0 HB3 GLU B 36 -23.496 7.981 7.548 1.00 1.01 H new ATOM 0 HG2 GLU B 36 -24.011 6.718 9.697 1.00 1.15 H new ATOM 0 HG3 GLU B 36 -25.396 7.271 8.777 1.00 1.15 H new ATOM 2384 N SER B 37 -24.518 8.377 4.850 1.00 0.00 N ATOM 2385 CA SER B 37 -25.266 9.453 4.207 1.00 0.00 C ATOM 2386 C SER B 37 -26.323 8.899 3.281 1.00 0.00 C ATOM 2387 O SER B 37 -27.462 9.381 3.276 1.00 0.00 O ATOM 2388 CB SER B 37 -24.311 10.422 3.467 1.00 0.00 C ATOM 2389 OG SER B 37 -23.446 11.139 4.355 1.00 0.00 O ATOM 0 H SER B 37 -23.519 8.386 4.645 1.00 0.00 H new ATOM 0 HA SER B 37 -25.778 10.023 4.982 1.00 0.00 H new ATOM 0 HB2 SER B 37 -23.707 9.857 2.757 1.00 0.00 H new ATOM 0 HB3 SER B 37 -24.900 11.134 2.889 1.00 0.00 H new ATOM 0 HG SER B 37 -22.724 10.548 4.656 1.00 0.00 H new ATOM 2395 N VAL B 38 -25.963 7.929 2.443 1.00 0.96 N ATOM 2396 CA VAL B 38 -26.913 7.358 1.489 1.00 1.00 C ATOM 2397 C VAL B 38 -28.001 6.569 2.210 1.00 1.02 C ATOM 2398 O VAL B 38 -29.129 6.476 1.728 1.00 1.04 O ATOM 2399 CB VAL B 38 -26.231 6.459 0.425 1.00 1.05 C ATOM 2400 CG1 VAL B 38 -25.259 7.268 -0.417 1.00 1.05 C ATOM 2401 CG2 VAL B 38 -25.522 5.274 1.064 1.00 1.07 C ATOM 0 H VAL B 38 -25.028 7.524 2.404 1.00 0.96 H new ATOM 0 HA VAL B 38 -27.362 8.202 0.965 1.00 1.00 H new ATOM 0 HB VAL B 38 -27.014 6.067 -0.224 1.00 1.05 H new ATOM 0 HG11 VAL B 38 -24.791 6.619 -1.157 1.00 1.05 H new ATOM 0 HG12 VAL B 38 -25.797 8.069 -0.925 1.00 1.05 H new ATOM 0 HG13 VAL B 38 -24.491 7.698 0.226 1.00 1.05 H new ATOM 0 HG21 VAL B 38 -25.056 4.667 0.288 1.00 1.07 H new ATOM 0 HG22 VAL B 38 -24.756 5.635 1.751 1.00 1.07 H new ATOM 0 HG23 VAL B 38 -26.245 4.670 1.612 1.00 1.07 H new ATOM 2411 N ASN B 39 -27.661 6.020 3.371 1.00 1.03 N ATOM 2412 CA ASN B 39 -28.611 5.256 4.168 1.00 1.07 C ATOM 2413 C ASN B 39 -29.732 6.173 4.651 1.00 1.05 C ATOM 2414 O ASN B 39 -30.915 5.866 4.493 1.00 1.08 O ATOM 2415 CB ASN B 39 -27.899 4.607 5.363 1.00 1.11 C ATOM 2416 CG ASN B 39 -28.832 3.817 6.264 1.00 1.20 C ATOM 2417 OD1 ASN B 39 -29.845 3.277 5.817 1.00 1.25 O ATOM 2418 ND2 ASN B 39 -28.486 3.733 7.538 1.00 1.25 N ATOM 0 H ASN B 39 -26.730 6.091 3.782 1.00 1.03 H new ATOM 0 HA ASN B 39 -29.040 4.466 3.552 1.00 1.07 H new ATOM 0 HB2 ASN B 39 -27.115 3.945 4.994 1.00 1.11 H new ATOM 0 HB3 ASN B 39 -27.410 5.384 5.951 1.00 1.11 H new ATOM 0 HD21 ASN B 39 -29.067 3.206 8.190 1.00 1.25 H new ATOM 0 HD22 ASN B 39 -27.639 4.195 7.868 1.00 1.25 H new ATOM 2425 N GLU B 40 -29.349 7.319 5.210 1.00 1.02 N ATOM 2426 CA GLU B 40 -30.313 8.294 5.700 1.00 1.02 C ATOM 2427 C GLU B 40 -31.109 8.886 4.544 1.00 0.98 C ATOM 2428 O GLU B 40 -32.310 9.142 4.663 1.00 1.01 O ATOM 2429 CB GLU B 40 -29.602 9.410 6.463 1.00 1.04 C ATOM 2430 CG GLU B 40 -29.275 9.054 7.899 1.00 1.24 C ATOM 2431 CD GLU B 40 -30.466 8.463 8.622 1.00 1.46 C ATOM 2432 OE1 GLU B 40 -31.410 9.219 8.940 1.00 1.92 O ATOM 2433 OE2 GLU B 40 -30.469 7.242 8.866 1.00 2.04 O ATOM 0 H GLU B 40 -28.374 7.593 5.334 1.00 1.02 H new ATOM 0 HA GLU B 40 -30.999 7.784 6.376 1.00 1.02 H new ATOM 0 HB2 GLU B 40 -28.679 9.663 5.942 1.00 1.04 H new ATOM 0 HB3 GLU B 40 -30.229 10.302 6.453 1.00 1.04 H new ATOM 0 HG2 GLU B 40 -28.450 8.342 7.917 1.00 1.24 H new ATOM 0 HG3 GLU B 40 -28.937 9.946 8.426 1.00 1.24 H new ATOM 2440 N LEU B 41 -30.423 9.091 3.427 1.00 0.95 N ATOM 2441 CA LEU B 41 -31.029 9.647 2.224 1.00 0.94 C ATOM 2442 C LEU B 41 -32.159 8.756 1.721 1.00 0.95 C ATOM 2443 O LEU B 41 -33.232 9.242 1.376 1.00 0.97 O ATOM 2444 CB LEU B 41 -29.962 9.810 1.141 1.00 0.92 C ATOM 2445 CG LEU B 41 -30.452 10.394 -0.188 1.00 0.97 C ATOM 2446 CD1 LEU B 41 -30.843 11.856 -0.024 1.00 1.08 C ATOM 2447 CD2 LEU B 41 -29.379 10.246 -1.255 1.00 1.01 C ATOM 0 H LEU B 41 -29.431 8.876 3.329 1.00 0.95 H new ATOM 0 HA LEU B 41 -31.452 10.622 2.465 1.00 0.94 H new ATOM 0 HB2 LEU B 41 -29.171 10.451 1.529 1.00 0.92 H new ATOM 0 HB3 LEU B 41 -29.515 8.835 0.946 1.00 0.92 H new ATOM 0 HG LEU B 41 -31.336 9.840 -0.502 1.00 0.97 H new ATOM 0 HD11 LEU B 41 -31.188 12.250 -0.980 1.00 1.08 H new ATOM 0 HD12 LEU B 41 -31.643 11.938 0.712 1.00 1.08 H new ATOM 0 HD13 LEU B 41 -29.979 12.428 0.314 1.00 1.08 H new ATOM 0 HD21 LEU B 41 -29.740 10.665 -2.194 1.00 1.01 H new ATOM 0 HD22 LEU B 41 -28.480 10.777 -0.943 1.00 1.01 H new ATOM 0 HD23 LEU B 41 -29.147 9.190 -1.394 1.00 1.01 H new ATOM 2459 N SER B 42 -31.921 7.451 1.706 1.00 0.97 N ATOM 2460 CA SER B 42 -32.919 6.490 1.247 1.00 1.01 C ATOM 2461 C SER B 42 -34.124 6.454 2.187 1.00 1.02 C ATOM 2462 O SER B 42 -35.248 6.158 1.770 1.00 1.03 O ATOM 2463 CB SER B 42 -32.295 5.095 1.130 1.00 1.07 C ATOM 2464 OG SER B 42 -33.263 4.123 0.771 1.00 1.56 O ATOM 0 H SER B 42 -31.042 7.031 2.008 1.00 0.97 H new ATOM 0 HA SER B 42 -33.268 6.807 0.264 1.00 1.01 H new ATOM 0 HB2 SER B 42 -31.500 5.112 0.384 1.00 1.07 H new ATOM 0 HB3 SER B 42 -31.836 4.820 2.079 1.00 1.07 H new ATOM 0 HG SER B 42 -33.100 3.298 1.274 1.00 1.56 H new ATOM 2470 N GLU B 43 -33.891 6.772 3.451 1.00 1.04 N ATOM 2471 CA GLU B 43 -34.947 6.763 4.453 1.00 1.07 C ATOM 2472 C GLU B 43 -35.901 7.933 4.242 1.00 1.05 C ATOM 2473 O GLU B 43 -37.108 7.812 4.443 1.00 1.10 O ATOM 2474 CB GLU B 43 -34.333 6.819 5.852 1.00 1.12 C ATOM 2475 CG GLU B 43 -35.249 6.303 6.949 1.00 1.24 C ATOM 2476 CD GLU B 43 -35.966 7.416 7.678 1.00 1.41 C ATOM 2477 OE1 GLU B 43 -35.307 8.409 8.045 1.00 1.56 O ATOM 2478 OE2 GLU B 43 -37.191 7.304 7.888 1.00 1.92 O ATOM 0 H GLU B 43 -32.975 7.041 3.809 1.00 1.04 H new ATOM 0 HA GLU B 43 -35.518 5.840 4.352 1.00 1.07 H new ATOM 0 HB2 GLU B 43 -33.412 6.236 5.857 1.00 1.12 H new ATOM 0 HB3 GLU B 43 -34.059 7.850 6.076 1.00 1.12 H new ATOM 0 HG2 GLU B 43 -35.984 5.625 6.515 1.00 1.24 H new ATOM 0 HG3 GLU B 43 -34.664 5.723 7.663 1.00 1.24 H new ATOM 2485 N LYS B 44 -35.355 9.062 3.824 1.00 1.00 N ATOM 2486 CA LYS B 44 -36.168 10.251 3.588 1.00 1.00 C ATOM 2487 C LYS B 44 -36.854 10.170 2.223 1.00 0.98 C ATOM 2488 O LYS B 44 -38.036 10.488 2.085 1.00 1.03 O ATOM 2489 CB LYS B 44 -35.304 11.521 3.655 1.00 1.01 C ATOM 2490 CG LYS B 44 -34.286 11.528 4.790 1.00 1.06 C ATOM 2491 CD LYS B 44 -34.954 11.564 6.153 1.00 1.17 C ATOM 2492 CE LYS B 44 -33.929 11.458 7.273 1.00 1.32 C ATOM 2493 NZ LYS B 44 -33.407 10.074 7.412 1.00 1.35 N ATOM 0 H LYS B 44 -34.359 9.184 3.641 1.00 1.00 H new ATOM 0 HA LYS B 44 -36.929 10.298 4.367 1.00 1.00 H new ATOM 0 HB2 LYS B 44 -34.776 11.638 2.708 1.00 1.01 H new ATOM 0 HB3 LYS B 44 -35.958 12.386 3.764 1.00 1.01 H new ATOM 0 HG2 LYS B 44 -33.657 10.641 4.718 1.00 1.06 H new ATOM 0 HG3 LYS B 44 -33.631 12.393 4.684 1.00 1.06 H new ATOM 0 HD2 LYS B 44 -35.518 12.491 6.260 1.00 1.17 H new ATOM 0 HD3 LYS B 44 -35.669 10.745 6.232 1.00 1.17 H new ATOM 0 HE2 LYS B 44 -33.102 12.140 7.075 1.00 1.32 H new ATOM 0 HE3 LYS B 44 -34.383 11.772 8.213 1.00 1.32 H new ATOM 0 HZ1 LYS B 44 -32.750 10.030 8.217 1.00 1.35 H new ATOM 0 HZ2 LYS B 44 -34.198 9.419 7.575 1.00 1.35 H new ATOM 0 HZ3 LYS B 44 -32.907 9.803 6.542 1.00 1.35 H new ATOM 2507 N ALA B 45 -36.107 9.697 1.235 1.00 0.98 N ATOM 2508 CA ALA B 45 -36.587 9.587 -0.141 1.00 0.99 C ATOM 2509 C ALA B 45 -37.699 8.556 -0.305 1.00 1.01 C ATOM 2510 O ALA B 45 -38.434 8.580 -1.288 1.00 1.03 O ATOM 2511 CB ALA B 45 -35.418 9.254 -1.051 1.00 1.01 C ATOM 0 H ALA B 45 -35.147 9.377 1.363 1.00 0.98 H new ATOM 0 HA ALA B 45 -37.020 10.549 -0.416 1.00 0.99 H new ATOM 0 HB1 ALA B 45 -35.770 9.171 -2.079 1.00 1.01 H new ATOM 0 HB2 ALA B 45 -34.670 10.044 -0.986 1.00 1.01 H new ATOM 0 HB3 ALA B 45 -34.974 8.308 -0.741 1.00 1.01 H new ATOM 2517 N LYS B 46 -37.831 7.663 0.661 1.00 1.04 N ATOM 2518 CA LYS B 46 -38.851 6.617 0.610 1.00 1.10 C ATOM 2519 C LYS B 46 -40.257 7.180 0.807 1.00 1.12 C ATOM 2520 O LYS B 46 -41.243 6.499 0.533 1.00 1.18 O ATOM 2521 CB LYS B 46 -38.565 5.557 1.669 1.00 1.18 C ATOM 2522 CG LYS B 46 -39.156 4.192 1.344 1.00 1.46 C ATOM 2523 CD LYS B 46 -38.231 3.078 1.790 1.00 1.98 C ATOM 2524 CE LYS B 46 -36.993 3.033 0.915 1.00 2.66 C ATOM 2525 NZ LYS B 46 -35.751 3.214 1.705 1.00 3.40 N ATOM 0 H LYS B 46 -37.245 7.637 1.495 1.00 1.04 H new ATOM 0 HA LYS B 46 -38.810 6.167 -0.382 1.00 1.10 H new ATOM 0 HB2 LYS B 46 -37.486 5.457 1.788 1.00 1.18 H new ATOM 0 HB3 LYS B 46 -38.961 5.896 2.626 1.00 1.18 H new ATOM 0 HG2 LYS B 46 -40.123 4.085 1.835 1.00 1.46 H new ATOM 0 HG3 LYS B 46 -39.333 4.115 0.271 1.00 1.46 H new ATOM 0 HD2 LYS B 46 -37.943 3.231 2.830 1.00 1.98 H new ATOM 0 HD3 LYS B 46 -38.753 2.122 1.741 1.00 1.98 H new ATOM 0 HE2 LYS B 46 -36.954 2.078 0.390 1.00 2.66 H new ATOM 0 HE3 LYS B 46 -37.057 3.812 0.155 1.00 2.66 H new ATOM 0 HZ1 LYS B 46 -34.993 3.562 1.084 1.00 3.40 H new ATOM 0 HZ2 LYS B 46 -35.920 3.903 2.465 1.00 3.40 H new ATOM 0 HZ3 LYS B 46 -35.468 2.303 2.120 1.00 3.40 H new ATOM 2539 N THR B 47 -40.352 8.416 1.287 1.00 1.10 N ATOM 2540 CA THR B 47 -41.654 9.033 1.514 1.00 1.16 C ATOM 2541 C THR B 47 -42.134 9.814 0.287 1.00 1.17 C ATOM 2542 O THR B 47 -43.193 10.439 0.320 1.00 1.27 O ATOM 2543 CB THR B 47 -41.636 9.968 2.745 1.00 1.24 C ATOM 2544 OG1 THR B 47 -40.638 10.984 2.591 1.00 1.54 O ATOM 2545 CG2 THR B 47 -41.372 9.186 4.022 1.00 1.41 C ATOM 0 H THR B 47 -39.553 9.004 1.524 1.00 1.10 H new ATOM 0 HA THR B 47 -42.351 8.217 1.703 1.00 1.16 H new ATOM 0 HB THR B 47 -42.617 10.436 2.818 1.00 1.24 H new ATOM 0 HG1 THR B 47 -39.748 10.576 2.623 1.00 1.54 H new ATOM 0 HG21 THR B 47 -41.365 9.869 4.872 1.00 1.41 H new ATOM 0 HG22 THR B 47 -42.156 8.441 4.161 1.00 1.41 H new ATOM 0 HG23 THR B 47 -40.406 8.687 3.950 1.00 1.41 H new ATOM 2553 N ASP B 48 -41.360 9.774 -0.792 1.00 1.14 N ATOM 2554 CA ASP B 48 -41.724 10.484 -2.019 1.00 1.18 C ATOM 2555 C ASP B 48 -41.477 9.605 -3.240 1.00 1.14 C ATOM 2556 O ASP B 48 -40.394 9.048 -3.393 1.00 1.10 O ATOM 2557 CB ASP B 48 -40.927 11.784 -2.144 1.00 1.23 C ATOM 2558 CG ASP B 48 -41.209 12.516 -3.443 1.00 1.28 C ATOM 2559 OD1 ASP B 48 -42.327 13.044 -3.604 1.00 1.39 O ATOM 2560 OD2 ASP B 48 -40.313 12.572 -4.305 1.00 1.43 O ATOM 0 H ASP B 48 -40.480 9.261 -0.845 1.00 1.14 H new ATOM 0 HA ASP B 48 -42.786 10.726 -1.969 1.00 1.18 H new ATOM 0 HB2 ASP B 48 -41.167 12.436 -1.304 1.00 1.23 H new ATOM 0 HB3 ASP B 48 -39.862 11.561 -2.080 1.00 1.23 H new ATOM 2565 N PRO B 49 -42.478 9.481 -4.127 1.00 1.20 N ATOM 2566 CA PRO B 49 -42.374 8.654 -5.338 1.00 1.22 C ATOM 2567 C PRO B 49 -41.246 9.094 -6.269 1.00 1.24 C ATOM 2568 O PRO B 49 -40.575 8.260 -6.879 1.00 1.24 O ATOM 2569 CB PRO B 49 -43.737 8.838 -6.025 1.00 1.33 C ATOM 2570 CG PRO B 49 -44.311 10.080 -5.428 1.00 1.36 C ATOM 2571 CD PRO B 49 -43.789 10.143 -4.023 1.00 1.29 C ATOM 0 HA PRO B 49 -42.141 7.619 -5.090 1.00 1.22 H new ATOM 0 HB2 PRO B 49 -43.624 8.936 -7.105 1.00 1.33 H new ATOM 0 HB3 PRO B 49 -44.386 7.980 -5.849 1.00 1.33 H new ATOM 0 HG2 PRO B 49 -44.011 10.961 -5.996 1.00 1.36 H new ATOM 0 HG3 PRO B 49 -45.401 10.050 -5.438 1.00 1.36 H new ATOM 0 HD2 PRO B 49 -43.695 11.171 -3.673 1.00 1.29 H new ATOM 0 HD3 PRO B 49 -44.447 9.627 -3.324 1.00 1.29 H new ATOM 2579 N GLN B 50 -41.033 10.401 -6.365 1.00 1.28 N ATOM 2580 CA GLN B 50 -39.989 10.943 -7.229 1.00 1.33 C ATOM 2581 C GLN B 50 -38.616 10.622 -6.655 1.00 1.22 C ATOM 2582 O GLN B 50 -37.754 10.063 -7.338 1.00 1.22 O ATOM 2583 CB GLN B 50 -40.148 12.456 -7.382 1.00 1.45 C ATOM 2584 CG GLN B 50 -41.556 12.893 -7.751 1.00 1.58 C ATOM 2585 CD GLN B 50 -41.855 14.319 -7.327 1.00 1.65 C ATOM 2586 OE1 GLN B 50 -42.516 15.066 -8.049 1.00 1.81 O ATOM 2587 NE2 GLN B 50 -41.403 14.701 -6.142 1.00 1.66 N ATOM 0 H GLN B 50 -41.568 11.105 -5.856 1.00 1.28 H new ATOM 0 HA GLN B 50 -40.082 10.482 -8.212 1.00 1.33 H new ATOM 0 HB2 GLN B 50 -39.862 12.938 -6.447 1.00 1.45 H new ATOM 0 HB3 GLN B 50 -39.456 12.809 -8.147 1.00 1.45 H new ATOM 0 HG2 GLN B 50 -41.689 12.803 -8.829 1.00 1.58 H new ATOM 0 HG3 GLN B 50 -42.275 12.221 -7.284 1.00 1.58 H new ATOM 0 HE21 GLN B 50 -40.858 14.054 -5.571 1.00 1.66 H new ATOM 0 HE22 GLN B 50 -41.600 15.642 -5.800 1.00 1.66 H new ATOM 2596 N ALA B 51 -38.430 10.969 -5.387 1.00 1.15 N ATOM 2597 CA ALA B 51 -37.174 10.720 -4.691 1.00 1.08 C ATOM 2598 C ALA B 51 -36.879 9.227 -4.626 1.00 1.00 C ATOM 2599 O ALA B 51 -35.720 8.809 -4.666 1.00 0.98 O ATOM 2600 CB ALA B 51 -37.222 11.321 -3.295 1.00 1.09 C ATOM 0 H ALA B 51 -39.140 11.428 -4.816 1.00 1.15 H new ATOM 0 HA ALA B 51 -36.368 11.197 -5.248 1.00 1.08 H new ATOM 0 HB1 ALA B 51 -36.279 11.129 -2.784 1.00 1.09 H new ATOM 0 HB2 ALA B 51 -37.383 12.397 -3.367 1.00 1.09 H new ATOM 0 HB3 ALA B 51 -38.038 10.869 -2.732 1.00 1.09 H new ATOM 2606 N ALA B 52 -37.939 8.430 -4.528 1.00 0.99 N ATOM 2607 CA ALA B 52 -37.812 6.980 -4.480 1.00 0.98 C ATOM 2608 C ALA B 52 -37.160 6.468 -5.754 1.00 1.02 C ATOM 2609 O ALA B 52 -36.353 5.547 -5.719 1.00 1.03 O ATOM 2610 CB ALA B 52 -39.174 6.329 -4.284 1.00 1.03 C ATOM 0 H ALA B 52 -38.900 8.768 -4.480 1.00 0.99 H new ATOM 0 HA ALA B 52 -37.180 6.716 -3.632 1.00 0.98 H new ATOM 0 HB1 ALA B 52 -39.058 5.246 -4.251 1.00 1.03 H new ATOM 0 HB2 ALA B 52 -39.612 6.676 -3.348 1.00 1.03 H new ATOM 0 HB3 ALA B 52 -39.829 6.599 -5.113 1.00 1.03 H new ATOM 2616 N GLU B 53 -37.501 7.094 -6.879 1.00 1.09 N ATOM 2617 CA GLU B 53 -36.943 6.714 -8.171 1.00 1.18 C ATOM 2618 C GLU B 53 -35.492 7.170 -8.267 1.00 1.17 C ATOM 2619 O GLU B 53 -34.673 6.533 -8.931 1.00 1.23 O ATOM 2620 CB GLU B 53 -37.778 7.317 -9.306 1.00 1.28 C ATOM 2621 CG GLU B 53 -37.337 6.896 -10.703 1.00 1.45 C ATOM 2622 CD GLU B 53 -37.029 5.414 -10.818 1.00 1.51 C ATOM 2623 OE1 GLU B 53 -37.882 4.587 -10.433 1.00 1.66 O ATOM 2624 OE2 GLU B 53 -35.923 5.075 -11.285 1.00 1.58 O ATOM 0 H GLU B 53 -38.163 7.869 -6.919 1.00 1.09 H new ATOM 0 HA GLU B 53 -36.971 5.628 -8.265 1.00 1.18 H new ATOM 0 HB2 GLU B 53 -38.820 7.031 -9.166 1.00 1.28 H new ATOM 0 HB3 GLU B 53 -37.733 8.404 -9.236 1.00 1.28 H new ATOM 0 HG2 GLU B 53 -38.121 7.153 -11.416 1.00 1.45 H new ATOM 0 HG3 GLU B 53 -36.451 7.466 -10.983 1.00 1.45 H new ATOM 2631 N LYS B 54 -35.177 8.271 -7.597 1.00 1.13 N ATOM 2632 CA LYS B 54 -33.817 8.791 -7.587 1.00 1.14 C ATOM 2633 C LYS B 54 -32.896 7.794 -6.897 1.00 1.05 C ATOM 2634 O LYS B 54 -31.802 7.502 -7.375 1.00 1.09 O ATOM 2635 CB LYS B 54 -33.755 10.142 -6.873 1.00 1.16 C ATOM 2636 CG LYS B 54 -34.580 11.227 -7.545 1.00 1.32 C ATOM 2637 CD LYS B 54 -34.419 12.565 -6.837 1.00 1.48 C ATOM 2638 CE LYS B 54 -33.057 13.187 -7.113 1.00 1.68 C ATOM 2639 NZ LYS B 54 -32.931 13.654 -8.520 1.00 2.09 N ATOM 0 H LYS B 54 -35.844 8.820 -7.054 1.00 1.13 H new ATOM 0 HA LYS B 54 -33.491 8.936 -8.617 1.00 1.14 H new ATOM 0 HB2 LYS B 54 -34.102 10.017 -5.847 1.00 1.16 H new ATOM 0 HB3 LYS B 54 -32.716 10.468 -6.821 1.00 1.16 H new ATOM 0 HG2 LYS B 54 -34.275 11.326 -8.587 1.00 1.32 H new ATOM 0 HG3 LYS B 54 -35.631 10.939 -7.547 1.00 1.32 H new ATOM 0 HD2 LYS B 54 -35.204 13.247 -7.165 1.00 1.48 H new ATOM 0 HD3 LYS B 54 -34.545 12.426 -5.763 1.00 1.48 H new ATOM 0 HE2 LYS B 54 -32.899 14.027 -6.437 1.00 1.68 H new ATOM 0 HE3 LYS B 54 -32.276 12.457 -6.902 1.00 1.68 H new ATOM 0 HZ1 LYS B 54 -32.100 14.274 -8.607 1.00 2.09 H new ATOM 0 HZ2 LYS B 54 -32.818 12.834 -9.149 1.00 2.09 H new ATOM 0 HZ3 LYS B 54 -33.786 14.181 -8.789 1.00 2.09 H new ATOM 2653 N LEU B 55 -33.364 7.260 -5.777 1.00 0.98 N ATOM 2654 CA LEU B 55 -32.595 6.277 -5.021 1.00 0.95 C ATOM 2655 C LEU B 55 -32.631 4.923 -5.714 1.00 0.99 C ATOM 2656 O LEU B 55 -31.729 4.107 -5.541 1.00 0.99 O ATOM 2657 CB LEU B 55 -33.131 6.156 -3.593 1.00 0.94 C ATOM 2658 CG LEU B 55 -32.388 6.994 -2.545 1.00 1.02 C ATOM 2659 CD1 LEU B 55 -30.979 6.464 -2.320 1.00 1.13 C ATOM 2660 CD2 LEU B 55 -32.336 8.458 -2.956 1.00 1.09 C ATOM 0 H LEU B 55 -34.271 7.490 -5.371 1.00 0.98 H new ATOM 0 HA LEU B 55 -31.560 6.616 -4.975 1.00 0.95 H new ATOM 0 HB2 LEU B 55 -34.181 6.447 -3.590 1.00 0.94 H new ATOM 0 HB3 LEU B 55 -33.090 5.109 -3.294 1.00 0.94 H new ATOM 0 HG LEU B 55 -32.941 6.915 -1.609 1.00 1.02 H new ATOM 0 HD11 LEU B 55 -30.475 7.077 -1.572 1.00 1.13 H new ATOM 0 HD12 LEU B 55 -31.030 5.433 -1.970 1.00 1.13 H new ATOM 0 HD13 LEU B 55 -30.422 6.502 -3.256 1.00 1.13 H new ATOM 0 HD21 LEU B 55 -31.804 9.031 -2.196 1.00 1.09 H new ATOM 0 HD22 LEU B 55 -31.816 8.550 -3.910 1.00 1.09 H new ATOM 0 HD23 LEU B 55 -33.350 8.844 -3.057 1.00 1.09 H new ATOM 2672 N ASN B 56 -33.673 4.692 -6.500 1.00 1.06 N ATOM 2673 CA ASN B 56 -33.830 3.444 -7.234 1.00 1.16 C ATOM 2674 C ASN B 56 -32.681 3.261 -8.222 1.00 1.20 C ATOM 2675 O ASN B 56 -32.013 2.230 -8.237 1.00 1.26 O ATOM 2676 CB ASN B 56 -35.171 3.431 -7.969 1.00 1.26 C ATOM 2677 CG ASN B 56 -35.397 2.161 -8.762 1.00 1.44 C ATOM 2678 OD1 ASN B 56 -35.016 1.069 -8.339 1.00 1.49 O ATOM 2679 ND2 ASN B 56 -36.005 2.299 -9.930 1.00 1.58 N ATOM 0 H ASN B 56 -34.430 5.360 -6.647 1.00 1.06 H new ATOM 0 HA ASN B 56 -33.811 2.616 -6.525 1.00 1.16 H new ATOM 0 HB2 ASN B 56 -35.977 3.549 -7.245 1.00 1.26 H new ATOM 0 HB3 ASN B 56 -35.219 4.287 -8.642 1.00 1.26 H new ATOM 0 HD21 ASN B 56 -36.174 1.482 -10.517 1.00 1.58 H new ATOM 0 HD22 ASN B 56 -36.305 3.222 -10.243 1.00 1.58 H new ATOM 2686 N LYS B 57 -32.453 4.273 -9.046 1.00 1.21 N ATOM 2687 CA LYS B 57 -31.370 4.227 -10.018 1.00 1.29 C ATOM 2688 C LYS B 57 -30.018 4.358 -9.322 1.00 1.21 C ATOM 2689 O LYS B 57 -29.009 3.849 -9.808 1.00 1.26 O ATOM 2690 CB LYS B 57 -31.527 5.310 -11.090 1.00 1.39 C ATOM 2691 CG LYS B 57 -31.959 6.670 -10.561 1.00 1.52 C ATOM 2692 CD LYS B 57 -32.073 7.695 -11.680 1.00 1.62 C ATOM 2693 CE LYS B 57 -33.149 7.312 -12.687 1.00 1.73 C ATOM 2694 NZ LYS B 57 -34.501 7.254 -12.072 1.00 1.81 N ATOM 0 H LYS B 57 -33.001 5.133 -9.062 1.00 1.21 H new ATOM 0 HA LYS B 57 -31.416 3.258 -10.516 1.00 1.29 H new ATOM 0 HB2 LYS B 57 -30.578 5.424 -11.614 1.00 1.39 H new ATOM 0 HB3 LYS B 57 -32.258 4.972 -11.824 1.00 1.39 H new ATOM 0 HG2 LYS B 57 -32.919 6.576 -10.054 1.00 1.52 H new ATOM 0 HG3 LYS B 57 -31.240 7.018 -9.820 1.00 1.52 H new ATOM 0 HD2 LYS B 57 -32.303 8.673 -11.256 1.00 1.62 H new ATOM 0 HD3 LYS B 57 -31.114 7.786 -12.189 1.00 1.62 H new ATOM 0 HE2 LYS B 57 -33.154 8.035 -13.503 1.00 1.73 H new ATOM 0 HE3 LYS B 57 -32.908 6.342 -13.122 1.00 1.73 H new ATOM 0 HZ1 LYS B 57 -35.182 7.747 -12.684 1.00 1.81 H new ATOM 0 HZ2 LYS B 57 -34.790 6.261 -11.962 1.00 1.81 H new ATOM 0 HZ3 LYS B 57 -34.478 7.713 -11.139 1.00 1.81 H new ATOM 2708 N LEU B 58 -30.003 5.062 -8.193 1.00 1.12 N ATOM 2709 CA LEU B 58 -28.777 5.263 -7.428 1.00 1.09 C ATOM 2710 C LEU B 58 -28.214 3.924 -6.940 1.00 1.08 C ATOM 2711 O LEU B 58 -27.037 3.626 -7.152 1.00 1.11 O ATOM 2712 CB LEU B 58 -29.037 6.195 -6.238 1.00 1.06 C ATOM 2713 CG LEU B 58 -28.218 7.494 -6.214 1.00 1.21 C ATOM 2714 CD1 LEU B 58 -26.726 7.194 -6.221 1.00 1.37 C ATOM 2715 CD2 LEU B 58 -28.593 8.392 -7.386 1.00 1.40 C ATOM 0 H LEU B 58 -30.828 5.503 -7.788 1.00 1.12 H new ATOM 0 HA LEU B 58 -28.039 5.727 -8.083 1.00 1.09 H new ATOM 0 HB2 LEU B 58 -30.095 6.455 -6.229 1.00 1.06 H new ATOM 0 HB3 LEU B 58 -28.836 5.644 -5.319 1.00 1.06 H new ATOM 0 HG LEU B 58 -28.453 8.024 -5.291 1.00 1.21 H new ATOM 0 HD11 LEU B 58 -26.167 8.129 -6.204 1.00 1.37 H new ATOM 0 HD12 LEU B 58 -26.470 6.602 -5.343 1.00 1.37 H new ATOM 0 HD13 LEU B 58 -26.471 6.636 -7.122 1.00 1.37 H new ATOM 0 HD21 LEU B 58 -28.000 9.306 -7.348 1.00 1.40 H new ATOM 0 HD22 LEU B 58 -28.396 7.870 -8.322 1.00 1.40 H new ATOM 0 HD23 LEU B 58 -29.652 8.644 -7.327 1.00 1.40 H new ATOM 2727 N ILE B 59 -29.063 3.114 -6.300 1.00 1.08 N ATOM 2728 CA ILE B 59 -28.636 1.812 -5.798 1.00 1.15 C ATOM 2729 C ILE B 59 -28.231 0.911 -6.963 1.00 1.25 C ATOM 2730 O ILE B 59 -27.285 0.126 -6.858 1.00 1.32 O ATOM 2731 CB ILE B 59 -29.726 1.129 -4.925 1.00 1.20 C ATOM 2732 CG1 ILE B 59 -29.185 -0.160 -4.301 1.00 1.33 C ATOM 2733 CG2 ILE B 59 -30.981 0.833 -5.731 1.00 1.22 C ATOM 2734 CD1 ILE B 59 -28.023 0.063 -3.354 1.00 1.37 C ATOM 0 H ILE B 59 -30.042 3.338 -6.120 1.00 1.08 H new ATOM 0 HA ILE B 59 -27.773 1.974 -5.152 1.00 1.15 H new ATOM 0 HB ILE B 59 -29.993 1.824 -4.129 1.00 1.20 H new ATOM 0 HG12 ILE B 59 -29.991 -0.659 -3.762 1.00 1.33 H new ATOM 0 HG13 ILE B 59 -28.869 -0.834 -5.097 1.00 1.33 H new ATOM 0 HG21 ILE B 59 -31.722 0.356 -5.089 1.00 1.22 H new ATOM 0 HG22 ILE B 59 -31.388 1.764 -6.125 1.00 1.22 H new ATOM 0 HG23 ILE B 59 -30.734 0.167 -6.557 1.00 1.22 H new ATOM 0 HD11 ILE B 59 -27.693 -0.895 -2.951 1.00 1.37 H new ATOM 0 HD12 ILE B 59 -27.200 0.533 -3.892 1.00 1.37 H new ATOM 0 HD13 ILE B 59 -28.339 0.711 -2.537 1.00 1.37 H new ATOM 2746 N GLU B 60 -28.940 1.061 -8.078 1.00 1.29 N ATOM 2747 CA GLU B 60 -28.659 0.301 -9.285 1.00 1.44 C ATOM 2748 C GLU B 60 -27.226 0.571 -9.735 1.00 1.40 C ATOM 2749 O GLU B 60 -26.481 -0.346 -10.081 1.00 1.51 O ATOM 2750 CB GLU B 60 -29.648 0.687 -10.389 1.00 1.54 C ATOM 2751 CG GLU B 60 -29.713 -0.306 -11.533 1.00 1.75 C ATOM 2752 CD GLU B 60 -30.371 0.285 -12.758 1.00 1.96 C ATOM 2753 OE1 GLU B 60 -29.791 1.213 -13.355 1.00 2.17 O ATOM 2754 OE2 GLU B 60 -31.468 -0.172 -13.135 1.00 2.28 O ATOM 0 H GLU B 60 -29.721 1.711 -8.167 1.00 1.29 H new ATOM 0 HA GLU B 60 -28.771 -0.763 -9.078 1.00 1.44 H new ATOM 0 HB2 GLU B 60 -30.642 0.789 -9.953 1.00 1.54 H new ATOM 0 HB3 GLU B 60 -29.372 1.664 -10.785 1.00 1.54 H new ATOM 0 HG2 GLU B 60 -28.705 -0.635 -11.786 1.00 1.75 H new ATOM 0 HG3 GLU B 60 -30.266 -1.190 -11.215 1.00 1.75 H new ATOM 2761 N GLY B 61 -26.836 1.840 -9.675 1.00 1.29 N ATOM 2762 CA GLY B 61 -25.498 2.234 -10.067 1.00 1.28 C ATOM 2763 C GLY B 61 -24.437 1.656 -9.147 1.00 1.21 C ATOM 2764 O GLY B 61 -23.333 1.333 -9.591 1.00 1.23 O ATOM 0 H GLY B 61 -27.429 2.607 -9.359 1.00 1.29 H new ATOM 0 HA2 GLY B 61 -25.309 1.905 -11.089 1.00 1.28 H new ATOM 0 HA3 GLY B 61 -25.426 3.322 -10.064 1.00 1.28 H new ATOM 2768 N TYR B 62 -24.768 1.536 -7.863 1.00 1.19 N ATOM 2769 CA TYR B 62 -23.841 0.979 -6.875 1.00 1.23 C ATOM 2770 C TYR B 62 -23.662 -0.521 -7.086 1.00 1.35 C ATOM 2771 O TYR B 62 -22.666 -1.108 -6.651 1.00 1.37 O ATOM 2772 CB TYR B 62 -24.338 1.249 -5.452 1.00 1.28 C ATOM 2773 CG TYR B 62 -24.139 2.677 -4.999 1.00 1.60 C ATOM 2774 CD1 TYR B 62 -22.906 3.308 -5.131 1.00 2.25 C ATOM 2775 CD2 TYR B 62 -25.186 3.398 -4.440 1.00 2.11 C ATOM 2776 CE1 TYR B 62 -22.724 4.613 -4.718 1.00 2.90 C ATOM 2777 CE2 TYR B 62 -25.011 4.703 -4.024 1.00 2.72 C ATOM 2778 CZ TYR B 62 -23.779 5.307 -4.166 1.00 2.96 C ATOM 2779 OH TYR B 62 -23.600 6.606 -3.751 1.00 3.75 O ATOM 0 H TYR B 62 -25.671 1.817 -7.480 1.00 1.19 H new ATOM 0 HA TYR B 62 -22.877 1.469 -7.009 1.00 1.23 H new ATOM 0 HB2 TYR B 62 -25.398 1.003 -5.394 1.00 1.28 H new ATOM 0 HB3 TYR B 62 -23.819 0.583 -4.763 1.00 1.28 H new ATOM 0 HD1 TYR B 62 -22.077 2.768 -5.564 1.00 2.25 H new ATOM 0 HD2 TYR B 62 -26.153 2.930 -4.329 1.00 2.11 H new ATOM 0 HE1 TYR B 62 -21.760 5.087 -4.827 1.00 2.90 H new ATOM 0 HE2 TYR B 62 -25.835 5.249 -3.589 1.00 2.72 H new ATOM 0 HH TYR B 62 -24.441 6.952 -3.386 1.00 3.75 H new ATOM 2789 N THR B 63 -24.637 -1.137 -7.750 1.00 1.51 N ATOM 2790 CA THR B 63 -24.597 -2.565 -8.029 1.00 1.71 C ATOM 2791 C THR B 63 -23.474 -2.876 -9.018 1.00 1.67 C ATOM 2792 O THR B 63 -22.794 -3.899 -8.918 1.00 1.80 O ATOM 2793 CB THR B 63 -25.944 -3.054 -8.606 1.00 1.94 C ATOM 2794 OG1 THR B 63 -27.030 -2.563 -7.804 1.00 2.00 O ATOM 2795 CG2 THR B 63 -25.996 -4.574 -8.660 1.00 2.31 C ATOM 0 H THR B 63 -25.468 -0.664 -8.105 1.00 1.51 H new ATOM 0 HA THR B 63 -24.411 -3.087 -7.090 1.00 1.71 H new ATOM 0 HB THR B 63 -26.037 -2.668 -9.621 1.00 1.94 H new ATOM 0 HG1 THR B 63 -26.975 -1.587 -7.741 1.00 2.00 H new ATOM 0 HG21 THR B 63 -26.955 -4.891 -9.070 1.00 2.31 H new ATOM 0 HG22 THR B 63 -25.190 -4.943 -9.294 1.00 2.31 H new ATOM 0 HG23 THR B 63 -25.880 -4.978 -7.654 1.00 2.31 H new ATOM 2803 N TYR B 64 -23.277 -1.961 -9.952 1.00 1.57 N ATOM 2804 CA TYR B 64 -22.254 -2.091 -10.983 1.00 1.63 C ATOM 2805 C TYR B 64 -21.010 -1.310 -10.591 1.00 1.37 C ATOM 2806 O TYR B 64 -20.360 -0.701 -11.445 1.00 1.46 O ATOM 2807 CB TYR B 64 -22.778 -1.596 -12.334 1.00 1.90 C ATOM 2808 CG TYR B 64 -24.148 -2.128 -12.688 1.00 2.42 C ATOM 2809 CD1 TYR B 64 -24.373 -3.496 -12.836 1.00 3.10 C ATOM 2810 CD2 TYR B 64 -25.219 -1.264 -12.867 1.00 2.81 C ATOM 2811 CE1 TYR B 64 -25.628 -3.980 -13.152 1.00 3.76 C ATOM 2812 CE2 TYR B 64 -26.475 -1.743 -13.181 1.00 3.50 C ATOM 2813 CZ TYR B 64 -26.673 -3.100 -13.323 1.00 3.84 C ATOM 2814 OH TYR B 64 -27.925 -3.577 -13.636 1.00 4.62 O ATOM 0 H TYR B 64 -23.823 -1.102 -10.019 1.00 1.57 H new ATOM 0 HA TYR B 64 -21.997 -3.146 -11.077 1.00 1.63 H new ATOM 0 HB2 TYR B 64 -22.813 -0.507 -12.323 1.00 1.90 H new ATOM 0 HB3 TYR B 64 -22.074 -1.884 -13.114 1.00 1.90 H new ATOM 0 HD1 TYR B 64 -23.554 -4.187 -12.702 1.00 3.10 H new ATOM 0 HD2 TYR B 64 -25.068 -0.200 -12.759 1.00 2.81 H new ATOM 0 HE1 TYR B 64 -25.788 -5.042 -13.264 1.00 3.76 H new ATOM 0 HE2 TYR B 64 -27.299 -1.058 -13.315 1.00 3.50 H new ATOM 0 HH TYR B 64 -28.549 -2.826 -13.721 1.00 4.62 H new ATOM 2824 N GLY B 65 -20.711 -1.293 -9.289 1.00 1.20 N ATOM 2825 CA GLY B 65 -19.553 -0.573 -8.778 1.00 1.11 C ATOM 2826 C GLY B 65 -18.226 -1.172 -9.201 1.00 1.04 C ATOM 2827 O GLY B 65 -17.488 -1.733 -8.381 1.00 1.03 O ATOM 0 H GLY B 65 -21.258 -1.771 -8.573 1.00 1.20 H new ATOM 0 HA2 GLY B 65 -19.600 0.461 -9.119 1.00 1.11 H new ATOM 0 HA3 GLY B 65 -19.601 -0.552 -7.689 1.00 1.11 H new ATOM 2831 N GLU B 66 -17.924 -1.051 -10.484 1.00 1.04 N ATOM 2832 CA GLU B 66 -16.678 -1.547 -11.039 1.00 1.02 C ATOM 2833 C GLU B 66 -15.524 -0.697 -10.527 1.00 0.98 C ATOM 2834 O GLU B 66 -14.390 -1.162 -10.418 1.00 0.95 O ATOM 2835 CB GLU B 66 -16.722 -1.506 -12.564 1.00 1.10 C ATOM 2836 CG GLU B 66 -17.701 -2.496 -13.162 1.00 1.36 C ATOM 2837 CD GLU B 66 -17.117 -3.884 -13.273 1.00 1.66 C ATOM 2838 OE1 GLU B 66 -17.193 -4.651 -12.290 1.00 2.08 O ATOM 2839 OE2 GLU B 66 -16.583 -4.219 -14.351 1.00 2.08 O ATOM 0 H GLU B 66 -18.536 -0.606 -11.168 1.00 1.04 H new ATOM 0 HA GLU B 66 -16.534 -2.581 -10.726 1.00 1.02 H new ATOM 0 HB2 GLU B 66 -16.991 -0.500 -12.886 1.00 1.10 H new ATOM 0 HB3 GLU B 66 -15.725 -1.710 -12.955 1.00 1.10 H new ATOM 0 HG2 GLU B 66 -18.600 -2.531 -12.547 1.00 1.36 H new ATOM 0 HG3 GLU B 66 -18.004 -2.152 -14.151 1.00 1.36 H new ATOM 2846 N GLU B 67 -15.839 0.549 -10.195 1.00 1.00 N ATOM 2847 CA GLU B 67 -14.854 1.488 -9.676 1.00 1.01 C ATOM 2848 C GLU B 67 -14.351 1.025 -8.314 1.00 0.97 C ATOM 2849 O GLU B 67 -13.165 1.144 -8.008 1.00 0.95 O ATOM 2850 CB GLU B 67 -15.471 2.883 -9.565 1.00 1.10 C ATOM 2851 CG GLU B 67 -16.225 3.309 -10.817 1.00 1.53 C ATOM 2852 CD GLU B 67 -15.358 3.285 -12.058 1.00 1.81 C ATOM 2853 OE1 GLU B 67 -15.287 2.229 -12.719 1.00 2.44 O ATOM 2854 OE2 GLU B 67 -14.743 4.319 -12.380 1.00 2.28 O ATOM 0 H GLU B 67 -16.780 0.935 -10.278 1.00 1.00 H new ATOM 0 HA GLU B 67 -14.009 1.529 -10.363 1.00 1.01 H new ATOM 0 HB2 GLU B 67 -16.152 2.905 -8.714 1.00 1.10 H new ATOM 0 HB3 GLU B 67 -14.682 3.607 -9.361 1.00 1.10 H new ATOM 0 HG2 GLU B 67 -17.080 2.649 -10.963 1.00 1.53 H new ATOM 0 HG3 GLU B 67 -16.620 4.315 -10.674 1.00 1.53 H new ATOM 2861 N ARG B 68 -15.259 0.478 -7.508 1.00 0.98 N ATOM 2862 CA ARG B 68 -14.898 -0.028 -6.192 1.00 0.99 C ATOM 2863 C ARG B 68 -13.930 -1.195 -6.352 1.00 0.95 C ATOM 2864 O ARG B 68 -12.969 -1.338 -5.595 1.00 0.95 O ATOM 2865 CB ARG B 68 -16.145 -0.471 -5.419 1.00 1.04 C ATOM 2866 CG ARG B 68 -15.841 -1.047 -4.043 1.00 1.10 C ATOM 2867 CD ARG B 68 -17.096 -1.561 -3.358 1.00 1.41 C ATOM 2868 NE ARG B 68 -16.785 -2.422 -2.214 1.00 1.59 N ATOM 2869 CZ ARG B 68 -17.167 -3.697 -2.114 1.00 1.88 C ATOM 2870 NH1 ARG B 68 -17.828 -4.281 -3.107 1.00 2.30 N ATOM 2871 NH2 ARG B 68 -16.879 -4.399 -1.026 1.00 2.17 N ATOM 0 H ARG B 68 -16.246 0.376 -7.745 1.00 0.98 H new ATOM 0 HA ARG B 68 -14.417 0.768 -5.623 1.00 0.99 H new ATOM 0 HB2 ARG B 68 -16.814 0.382 -5.306 1.00 1.04 H new ATOM 0 HB3 ARG B 68 -16.679 -1.218 -6.006 1.00 1.04 H new ATOM 0 HG2 ARG B 68 -15.121 -1.859 -4.140 1.00 1.10 H new ATOM 0 HG3 ARG B 68 -15.376 -0.281 -3.423 1.00 1.10 H new ATOM 0 HD2 ARG B 68 -17.698 -0.716 -3.023 1.00 1.41 H new ATOM 0 HD3 ARG B 68 -17.699 -2.117 -4.076 1.00 1.41 H new ATOM 0 HE ARG B 68 -16.244 -2.023 -1.447 1.00 1.59 H new ATOM 0 HH11 ARG B 68 -18.047 -3.755 -3.953 1.00 2.30 H new ATOM 0 HH12 ARG B 68 -18.117 -5.256 -3.024 1.00 2.30 H new ATOM 0 HH21 ARG B 68 -16.363 -3.965 -0.261 1.00 2.17 H new ATOM 0 HH22 ARG B 68 -17.173 -5.373 -0.955 1.00 2.17 H new ATOM 2885 N LYS B 69 -14.190 -2.014 -7.364 1.00 0.94 N ATOM 2886 CA LYS B 69 -13.345 -3.160 -7.664 1.00 0.94 C ATOM 2887 C LYS B 69 -11.970 -2.682 -8.130 1.00 0.89 C ATOM 2888 O LYS B 69 -10.955 -3.324 -7.867 1.00 0.88 O ATOM 2889 CB LYS B 69 -14.002 -4.024 -8.740 1.00 1.00 C ATOM 2890 CG LYS B 69 -13.278 -5.338 -9.007 1.00 1.28 C ATOM 2891 CD LYS B 69 -14.051 -6.211 -9.982 1.00 1.46 C ATOM 2892 CE LYS B 69 -14.135 -5.578 -11.363 1.00 1.55 C ATOM 2893 NZ LYS B 69 -15.082 -6.302 -12.247 1.00 1.70 N ATOM 0 H LYS B 69 -14.985 -1.903 -7.993 1.00 0.94 H new ATOM 0 HA LYS B 69 -13.220 -3.761 -6.763 1.00 0.94 H new ATOM 0 HB2 LYS B 69 -15.028 -4.240 -8.442 1.00 1.00 H new ATOM 0 HB3 LYS B 69 -14.053 -3.454 -9.668 1.00 1.00 H new ATOM 0 HG2 LYS B 69 -12.286 -5.133 -9.408 1.00 1.28 H new ATOM 0 HG3 LYS B 69 -13.138 -5.875 -8.069 1.00 1.28 H new ATOM 0 HD2 LYS B 69 -13.569 -7.186 -10.058 1.00 1.46 H new ATOM 0 HD3 LYS B 69 -15.057 -6.381 -9.598 1.00 1.46 H new ATOM 0 HE2 LYS B 69 -14.450 -4.539 -11.267 1.00 1.55 H new ATOM 0 HE3 LYS B 69 -13.145 -5.571 -11.820 1.00 1.55 H new ATOM 0 HZ1 LYS B 69 -14.744 -6.256 -13.230 1.00 1.70 H new ATOM 0 HZ2 LYS B 69 -15.144 -7.296 -11.949 1.00 1.70 H new ATOM 0 HZ3 LYS B 69 -16.022 -5.862 -12.183 1.00 1.70 H new ATOM 2907 N LEU B 70 -11.955 -1.541 -8.815 1.00 0.89 N ATOM 2908 CA LEU B 70 -10.716 -0.952 -9.308 1.00 0.87 C ATOM 2909 C LEU B 70 -9.820 -0.557 -8.138 1.00 0.83 C ATOM 2910 O LEU B 70 -8.607 -0.745 -8.183 1.00 0.82 O ATOM 2911 CB LEU B 70 -11.020 0.273 -10.180 1.00 0.91 C ATOM 2912 CG LEU B 70 -9.806 1.117 -10.581 1.00 0.96 C ATOM 2913 CD1 LEU B 70 -8.970 0.395 -11.628 1.00 1.04 C ATOM 2914 CD2 LEU B 70 -10.249 2.475 -11.097 1.00 1.04 C ATOM 0 H LEU B 70 -12.793 -1.005 -9.041 1.00 0.89 H new ATOM 0 HA LEU B 70 -10.194 -1.692 -9.915 1.00 0.87 H new ATOM 0 HB2 LEU B 70 -11.521 -0.064 -11.087 1.00 0.91 H new ATOM 0 HB3 LEU B 70 -11.724 0.912 -9.646 1.00 0.91 H new ATOM 0 HG LEU B 70 -9.188 1.269 -9.696 1.00 0.96 H new ATOM 0 HD11 LEU B 70 -8.113 1.012 -11.898 1.00 1.04 H new ATOM 0 HD12 LEU B 70 -8.620 -0.554 -11.223 1.00 1.04 H new ATOM 0 HD13 LEU B 70 -9.577 0.209 -12.514 1.00 1.04 H new ATOM 0 HD21 LEU B 70 -9.374 3.061 -11.377 1.00 1.04 H new ATOM 0 HD22 LEU B 70 -10.890 2.342 -11.968 1.00 1.04 H new ATOM 0 HD23 LEU B 70 -10.801 2.998 -10.316 1.00 1.04 H new ATOM 2926 N TYR B 71 -10.432 -0.026 -7.087 1.00 0.84 N ATOM 2927 CA TYR B 71 -9.694 0.390 -5.900 1.00 0.84 C ATOM 2928 C TYR B 71 -9.132 -0.829 -5.183 1.00 0.83 C ATOM 2929 O TYR B 71 -8.024 -0.792 -4.649 1.00 0.82 O ATOM 2930 CB TYR B 71 -10.589 1.203 -4.961 1.00 0.91 C ATOM 2931 CG TYR B 71 -11.243 2.391 -5.632 1.00 0.92 C ATOM 2932 CD1 TYR B 71 -10.559 3.137 -6.583 1.00 0.93 C ATOM 2933 CD2 TYR B 71 -12.540 2.763 -5.314 1.00 1.01 C ATOM 2934 CE1 TYR B 71 -11.151 4.220 -7.201 1.00 1.00 C ATOM 2935 CE2 TYR B 71 -13.141 3.847 -5.927 1.00 1.09 C ATOM 2936 CZ TYR B 71 -12.444 4.572 -6.869 1.00 1.07 C ATOM 2937 OH TYR B 71 -13.037 5.655 -7.480 1.00 1.19 O ATOM 0 H TYR B 71 -11.439 0.127 -7.032 1.00 0.84 H new ATOM 0 HA TYR B 71 -8.866 1.027 -6.211 1.00 0.84 H new ATOM 0 HB2 TYR B 71 -11.364 0.552 -4.556 1.00 0.91 H new ATOM 0 HB3 TYR B 71 -9.994 1.554 -4.118 1.00 0.91 H new ATOM 0 HD1 TYR B 71 -9.547 2.865 -6.843 1.00 0.93 H new ATOM 0 HD2 TYR B 71 -13.090 2.197 -4.576 1.00 1.01 H new ATOM 0 HE1 TYR B 71 -10.606 4.789 -7.940 1.00 1.00 H new ATOM 0 HE2 TYR B 71 -14.152 4.124 -5.669 1.00 1.09 H new ATOM 0 HH TYR B 71 -12.517 5.909 -8.271 1.00 1.19 H new ATOM 2947 N ASP B 72 -9.895 -1.915 -5.190 1.00 0.86 N ATOM 2948 CA ASP B 72 -9.462 -3.158 -4.558 1.00 0.88 C ATOM 2949 C ASP B 72 -8.247 -3.709 -5.297 1.00 0.85 C ATOM 2950 O ASP B 72 -7.299 -4.207 -4.690 1.00 0.85 O ATOM 2951 CB ASP B 72 -10.609 -4.174 -4.550 1.00 0.95 C ATOM 2952 CG ASP B 72 -10.189 -5.551 -4.070 1.00 1.07 C ATOM 2953 OD1 ASP B 72 -9.391 -5.646 -3.112 1.00 1.31 O ATOM 2954 OD2 ASP B 72 -10.668 -6.550 -4.650 1.00 1.32 O ATOM 0 H ASP B 72 -10.816 -1.962 -5.626 1.00 0.86 H new ATOM 0 HA ASP B 72 -9.180 -2.962 -3.523 1.00 0.88 H new ATOM 0 HB2 ASP B 72 -11.409 -3.803 -3.910 1.00 0.95 H new ATOM 0 HB3 ASP B 72 -11.018 -4.257 -5.557 1.00 0.95 H new ATOM 2959 N SER B 73 -8.272 -3.584 -6.619 1.00 0.84 N ATOM 2960 CA SER B 73 -7.168 -4.038 -7.460 1.00 0.83 C ATOM 2961 C SER B 73 -5.931 -3.166 -7.233 1.00 0.79 C ATOM 2962 O SER B 73 -4.792 -3.621 -7.381 1.00 0.78 O ATOM 2963 CB SER B 73 -7.585 -4.001 -8.932 1.00 0.86 C ATOM 2964 OG SER B 73 -8.763 -4.765 -9.146 1.00 0.91 O ATOM 0 H SER B 73 -9.049 -3.170 -7.135 1.00 0.84 H new ATOM 0 HA SER B 73 -6.918 -5.064 -7.191 1.00 0.83 H new ATOM 0 HB2 SER B 73 -7.755 -2.969 -9.240 1.00 0.86 H new ATOM 0 HB3 SER B 73 -6.777 -4.389 -9.552 1.00 0.86 H new ATOM 0 HG SER B 73 -9.529 -4.306 -8.742 1.00 0.91 H new ATOM 2970 N ALA B 74 -6.168 -1.909 -6.874 1.00 0.79 N ATOM 2971 CA ALA B 74 -5.091 -0.972 -6.597 1.00 0.78 C ATOM 2972 C ALA B 74 -4.421 -1.338 -5.279 1.00 0.74 C ATOM 2973 O ALA B 74 -3.211 -1.173 -5.116 1.00 0.72 O ATOM 2974 CB ALA B 74 -5.622 0.454 -6.556 1.00 0.81 C ATOM 0 H ALA B 74 -7.103 -1.516 -6.768 1.00 0.79 H new ATOM 0 HA ALA B 74 -4.352 -1.031 -7.396 1.00 0.78 H new ATOM 0 HB1 ALA B 74 -4.802 1.142 -6.348 1.00 0.81 H new ATOM 0 HB2 ALA B 74 -6.069 0.704 -7.518 1.00 0.81 H new ATOM 0 HB3 ALA B 74 -6.375 0.539 -5.773 1.00 0.81 H new ATOM 2980 N LEU B 75 -5.223 -1.849 -4.347 1.00 0.76 N ATOM 2981 CA LEU B 75 -4.722 -2.270 -3.048 1.00 0.76 C ATOM 2982 C LEU B 75 -3.849 -3.503 -3.220 1.00 0.73 C ATOM 2983 O LEU B 75 -2.898 -3.713 -2.470 1.00 0.71 O ATOM 2984 CB LEU B 75 -5.878 -2.566 -2.085 1.00 0.81 C ATOM 2985 CG LEU B 75 -5.853 -1.788 -0.763 1.00 0.89 C ATOM 2986 CD1 LEU B 75 -4.691 -2.239 0.106 1.00 1.13 C ATOM 2987 CD2 LEU B 75 -5.774 -0.289 -1.019 1.00 1.14 C ATOM 0 H LEU B 75 -6.227 -1.980 -4.472 1.00 0.76 H new ATOM 0 HA LEU B 75 -4.129 -1.462 -2.620 1.00 0.76 H new ATOM 0 HB2 LEU B 75 -6.817 -2.351 -2.595 1.00 0.81 H new ATOM 0 HB3 LEU B 75 -5.875 -3.632 -1.859 1.00 0.81 H new ATOM 0 HG LEU B 75 -6.781 -1.997 -0.232 1.00 0.89 H new ATOM 0 HD11 LEU B 75 -4.693 -1.674 1.038 1.00 1.13 H new ATOM 0 HD12 LEU B 75 -4.792 -3.302 0.326 1.00 1.13 H new ATOM 0 HD13 LEU B 75 -3.753 -2.065 -0.422 1.00 1.13 H new ATOM 0 HD21 LEU B 75 -5.757 0.242 -0.067 1.00 1.14 H new ATOM 0 HD22 LEU B 75 -4.865 -0.063 -1.577 1.00 1.14 H new ATOM 0 HD23 LEU B 75 -6.643 0.028 -1.596 1.00 1.14 H new ATOM 2999 N SER B 76 -4.180 -4.315 -4.222 1.00 0.75 N ATOM 3000 CA SER B 76 -3.407 -5.512 -4.521 1.00 0.75 C ATOM 3001 C SER B 76 -1.995 -5.111 -4.941 1.00 0.72 C ATOM 3002 O SER B 76 -1.026 -5.825 -4.676 1.00 0.72 O ATOM 3003 CB SER B 76 -4.072 -6.323 -5.634 1.00 0.81 C ATOM 3004 OG SER B 76 -5.488 -6.293 -5.522 1.00 0.91 O ATOM 0 H SER B 76 -4.978 -4.163 -4.839 1.00 0.75 H new ATOM 0 HA SER B 76 -3.361 -6.134 -3.627 1.00 0.75 H new ATOM 0 HB2 SER B 76 -3.774 -5.925 -6.604 1.00 0.81 H new ATOM 0 HB3 SER B 76 -3.724 -7.355 -5.592 1.00 0.81 H new ATOM 0 HG SER B 76 -5.885 -6.818 -6.248 1.00 0.91 H new ATOM 3010 N LYS B 77 -1.892 -3.949 -5.584 1.00 0.72 N ATOM 3011 CA LYS B 77 -0.607 -3.424 -6.024 1.00 0.71 C ATOM 3012 C LYS B 77 0.239 -3.040 -4.817 1.00 0.67 C ATOM 3013 O LYS B 77 1.460 -3.207 -4.817 1.00 0.66 O ATOM 3014 CB LYS B 77 -0.797 -2.202 -6.928 1.00 0.75 C ATOM 3015 CG LYS B 77 -1.304 -2.539 -8.319 1.00 0.93 C ATOM 3016 CD LYS B 77 -1.007 -1.419 -9.313 1.00 1.09 C ATOM 3017 CE LYS B 77 0.491 -1.219 -9.515 1.00 1.34 C ATOM 3018 NZ LYS B 77 0.913 -1.536 -10.904 1.00 1.68 N ATOM 0 H LYS B 77 -2.688 -3.353 -5.811 1.00 0.72 H new ATOM 0 HA LYS B 77 -0.098 -4.202 -6.593 1.00 0.71 H new ATOM 0 HB2 LYS B 77 -1.498 -1.516 -6.453 1.00 0.75 H new ATOM 0 HB3 LYS B 77 0.154 -1.676 -7.016 1.00 0.75 H new ATOM 0 HG2 LYS B 77 -0.839 -3.463 -8.662 1.00 0.93 H new ATOM 0 HG3 LYS B 77 -2.379 -2.717 -8.282 1.00 0.93 H new ATOM 0 HD2 LYS B 77 -1.475 -1.650 -10.270 1.00 1.09 H new ATOM 0 HD3 LYS B 77 -1.452 -0.490 -8.957 1.00 1.09 H new ATOM 0 HE2 LYS B 77 0.753 -0.187 -9.283 1.00 1.34 H new ATOM 0 HE3 LYS B 77 1.039 -1.852 -8.816 1.00 1.34 H new ATOM 0 HZ1 LYS B 77 1.938 -1.387 -10.998 1.00 1.68 H new ATOM 0 HZ2 LYS B 77 0.687 -2.528 -11.118 1.00 1.68 H new ATOM 0 HZ3 LYS B 77 0.410 -0.915 -11.570 1.00 1.68 H new ATOM 3032 N ILE B 78 -0.428 -2.509 -3.793 1.00 0.66 N ATOM 3033 CA ILE B 78 0.231 -2.117 -2.556 1.00 0.64 C ATOM 3034 C ILE B 78 0.814 -3.356 -1.882 1.00 0.63 C ATOM 3035 O ILE B 78 1.953 -3.347 -1.413 1.00 0.64 O ATOM 3036 CB ILE B 78 -0.769 -1.417 -1.603 1.00 0.67 C ATOM 3037 CG1 ILE B 78 -1.047 0.014 -2.083 1.00 0.90 C ATOM 3038 CG2 ILE B 78 -0.256 -1.419 -0.168 1.00 0.79 C ATOM 3039 CD1 ILE B 78 0.123 0.963 -1.909 1.00 1.15 C ATOM 0 H ILE B 78 -1.434 -2.341 -3.801 1.00 0.66 H new ATOM 0 HA ILE B 78 1.031 -1.414 -2.787 1.00 0.64 H new ATOM 0 HB ILE B 78 -1.704 -1.976 -1.619 1.00 0.67 H new ATOM 0 HG12 ILE B 78 -1.324 -0.015 -3.137 1.00 0.90 H new ATOM 0 HG13 ILE B 78 -1.905 0.408 -1.539 1.00 0.90 H new ATOM 0 HG21 ILE B 78 -0.979 -0.921 0.478 1.00 0.79 H new ATOM 0 HG22 ILE B 78 -0.118 -2.447 0.167 1.00 0.79 H new ATOM 0 HG23 ILE B 78 0.696 -0.891 -0.121 1.00 0.79 H new ATOM 0 HD11 ILE B 78 -0.154 1.953 -2.272 1.00 1.15 H new ATOM 0 HD12 ILE B 78 0.388 1.025 -0.853 1.00 1.15 H new ATOM 0 HD13 ILE B 78 0.978 0.595 -2.476 1.00 1.15 H new ATOM 3051 N GLU B 79 0.019 -4.423 -1.864 1.00 0.65 N ATOM 3052 CA GLU B 79 0.428 -5.692 -1.276 1.00 0.67 C ATOM 3053 C GLU B 79 1.675 -6.224 -1.981 1.00 0.67 C ATOM 3054 O GLU B 79 2.586 -6.761 -1.348 1.00 0.70 O ATOM 3055 CB GLU B 79 -0.711 -6.709 -1.380 1.00 0.71 C ATOM 3056 CG GLU B 79 -0.381 -8.050 -0.754 1.00 0.77 C ATOM 3057 CD GLU B 79 -1.334 -9.142 -1.183 1.00 1.10 C ATOM 3058 OE1 GLU B 79 -2.563 -8.939 -1.093 1.00 1.59 O ATOM 3059 OE2 GLU B 79 -0.860 -10.222 -1.594 1.00 1.74 O ATOM 0 H GLU B 79 -0.923 -4.431 -2.255 1.00 0.65 H new ATOM 0 HA GLU B 79 0.664 -5.532 -0.224 1.00 0.67 H new ATOM 0 HB2 GLU B 79 -1.599 -6.300 -0.897 1.00 0.71 H new ATOM 0 HB3 GLU B 79 -0.960 -6.858 -2.431 1.00 0.71 H new ATOM 0 HG2 GLU B 79 0.636 -8.333 -1.025 1.00 0.77 H new ATOM 0 HG3 GLU B 79 -0.407 -7.956 0.332 1.00 0.77 H new ATOM 3066 N LYS B 80 1.711 -6.042 -3.299 1.00 0.67 N ATOM 3067 CA LYS B 80 2.837 -6.487 -4.108 1.00 0.69 C ATOM 3068 C LYS B 80 4.126 -5.806 -3.661 1.00 0.68 C ATOM 3069 O LYS B 80 5.181 -6.437 -3.596 1.00 0.72 O ATOM 3070 CB LYS B 80 2.591 -6.197 -5.588 1.00 0.72 C ATOM 3071 CG LYS B 80 1.610 -7.151 -6.244 1.00 0.79 C ATOM 3072 CD LYS B 80 1.703 -7.088 -7.761 1.00 1.18 C ATOM 3073 CE LYS B 80 3.021 -7.649 -8.278 1.00 1.78 C ATOM 3074 NZ LYS B 80 3.290 -9.016 -7.758 1.00 2.05 N ATOM 0 H LYS B 80 0.968 -5.587 -3.829 1.00 0.67 H new ATOM 0 HA LYS B 80 2.939 -7.564 -3.971 1.00 0.69 H new ATOM 0 HB2 LYS B 80 2.217 -5.178 -5.692 1.00 0.72 H new ATOM 0 HB3 LYS B 80 3.541 -6.244 -6.121 1.00 0.72 H new ATOM 0 HG2 LYS B 80 1.810 -8.168 -5.908 1.00 0.79 H new ATOM 0 HG3 LYS B 80 0.596 -6.905 -5.930 1.00 0.79 H new ATOM 0 HD2 LYS B 80 0.875 -7.647 -8.198 1.00 1.18 H new ATOM 0 HD3 LYS B 80 1.597 -6.054 -8.088 1.00 1.18 H new ATOM 0 HE2 LYS B 80 3.001 -7.674 -9.368 1.00 1.78 H new ATOM 0 HE3 LYS B 80 3.835 -6.985 -7.989 1.00 1.78 H new ATOM 0 HZ1 LYS B 80 4.059 -9.451 -8.307 1.00 2.05 H new ATOM 0 HZ2 LYS B 80 3.569 -8.958 -6.758 1.00 2.05 H new ATOM 0 HZ3 LYS B 80 2.431 -9.596 -7.845 1.00 2.05 H new ATOM 3088 N LEU B 81 4.027 -4.521 -3.334 1.00 0.65 N ATOM 3089 CA LEU B 81 5.189 -3.755 -2.893 1.00 0.67 C ATOM 3090 C LEU B 81 5.704 -4.292 -1.562 1.00 0.68 C ATOM 3091 O LEU B 81 6.910 -4.454 -1.369 1.00 0.72 O ATOM 3092 CB LEU B 81 4.829 -2.270 -2.765 1.00 0.67 C ATOM 3093 CG LEU B 81 5.814 -1.294 -3.421 1.00 0.78 C ATOM 3094 CD1 LEU B 81 7.209 -1.443 -2.837 1.00 1.02 C ATOM 3095 CD2 LEU B 81 5.848 -1.504 -4.928 1.00 0.97 C ATOM 0 H LEU B 81 3.157 -3.989 -3.366 1.00 0.65 H new ATOM 0 HA LEU B 81 5.978 -3.859 -3.638 1.00 0.67 H new ATOM 0 HB2 LEU B 81 3.843 -2.114 -3.203 1.00 0.67 H new ATOM 0 HB3 LEU B 81 4.750 -2.023 -1.706 1.00 0.67 H new ATOM 0 HG LEU B 81 5.468 -0.281 -3.214 1.00 0.78 H new ATOM 0 HD11 LEU B 81 7.884 -0.738 -3.322 1.00 1.02 H new ATOM 0 HD12 LEU B 81 7.179 -1.239 -1.767 1.00 1.02 H new ATOM 0 HD13 LEU B 81 7.566 -2.460 -3.002 1.00 1.02 H new ATOM 0 HD21 LEU B 81 6.552 -0.803 -5.377 1.00 0.97 H new ATOM 0 HD22 LEU B 81 6.163 -2.525 -5.146 1.00 0.97 H new ATOM 0 HD23 LEU B 81 4.854 -1.335 -5.341 1.00 0.97 H new ATOM 3107 N ILE B 82 4.782 -4.594 -0.658 1.00 0.68 N ATOM 3108 CA ILE B 82 5.136 -5.126 0.653 1.00 0.72 C ATOM 3109 C ILE B 82 5.848 -6.467 0.496 1.00 0.77 C ATOM 3110 O ILE B 82 6.846 -6.748 1.163 1.00 0.81 O ATOM 3111 CB ILE B 82 3.888 -5.300 1.551 1.00 0.72 C ATOM 3112 CG1 ILE B 82 3.026 -4.026 1.511 1.00 0.70 C ATOM 3113 CG2 ILE B 82 4.304 -5.628 2.983 1.00 0.78 C ATOM 3114 CD1 ILE B 82 1.815 -4.064 2.424 1.00 0.72 C ATOM 0 H ILE B 82 3.780 -4.480 -0.808 1.00 0.68 H new ATOM 0 HA ILE B 82 5.802 -4.410 1.135 1.00 0.72 H new ATOM 0 HB ILE B 82 3.294 -6.131 1.171 1.00 0.72 H new ATOM 0 HG12 ILE B 82 3.646 -3.173 1.785 1.00 0.70 H new ATOM 0 HG13 ILE B 82 2.690 -3.860 0.487 1.00 0.70 H new ATOM 0 HG21 ILE B 82 3.415 -5.747 3.602 1.00 0.78 H new ATOM 0 HG22 ILE B 82 4.879 -6.554 2.992 1.00 0.78 H new ATOM 0 HG23 ILE B 82 4.916 -4.817 3.379 1.00 0.78 H new ATOM 0 HD11 ILE B 82 1.263 -3.128 2.335 1.00 0.72 H new ATOM 0 HD12 ILE B 82 1.170 -4.895 2.138 1.00 0.72 H new ATOM 0 HD13 ILE B 82 2.141 -4.196 3.456 1.00 0.72 H new ATOM 3126 N GLU B 83 5.339 -7.272 -0.423 1.00 0.78 N ATOM 3127 CA GLU B 83 5.895 -8.589 -0.710 1.00 0.85 C ATOM 3128 C GLU B 83 7.290 -8.484 -1.326 1.00 0.87 C ATOM 3129 O GLU B 83 8.093 -9.413 -1.238 1.00 0.94 O ATOM 3130 CB GLU B 83 4.955 -9.345 -1.648 1.00 0.88 C ATOM 3131 CG GLU B 83 5.171 -10.851 -1.659 1.00 1.11 C ATOM 3132 CD GLU B 83 5.337 -11.427 -0.268 1.00 1.73 C ATOM 3133 OE1 GLU B 83 4.316 -11.707 0.389 1.00 2.25 O ATOM 3134 OE2 GLU B 83 6.489 -11.613 0.169 1.00 2.41 O ATOM 0 H GLU B 83 4.528 -7.032 -0.993 1.00 0.78 H new ATOM 0 HA GLU B 83 5.991 -9.135 0.228 1.00 0.85 H new ATOM 0 HB2 GLU B 83 3.925 -9.138 -1.358 1.00 0.88 H new ATOM 0 HB3 GLU B 83 5.084 -8.962 -2.661 1.00 0.88 H new ATOM 0 HG2 GLU B 83 4.324 -11.332 -2.148 1.00 1.11 H new ATOM 0 HG3 GLU B 83 6.056 -11.083 -2.252 1.00 1.11 H new ATOM 3141 N THR B 84 7.577 -7.343 -1.949 1.00 0.83 N ATOM 3142 CA THR B 84 8.867 -7.122 -2.588 1.00 0.87 C ATOM 3143 C THR B 84 9.964 -6.886 -1.543 1.00 0.91 C ATOM 3144 O THR B 84 11.152 -7.049 -1.825 1.00 0.98 O ATOM 3145 CB THR B 84 8.804 -5.923 -3.564 1.00 0.84 C ATOM 3146 OG1 THR B 84 7.643 -6.045 -4.398 1.00 0.84 O ATOM 3147 CG2 THR B 84 10.045 -5.855 -4.440 1.00 0.87 C ATOM 0 H THR B 84 6.931 -6.557 -2.024 1.00 0.83 H new ATOM 0 HA THR B 84 9.111 -8.021 -3.154 1.00 0.87 H new ATOM 0 HB THR B 84 8.751 -5.009 -2.973 1.00 0.84 H new ATOM 0 HG1 THR B 84 6.841 -5.838 -3.874 1.00 0.84 H new ATOM 0 HG21 THR B 84 9.968 -5.002 -5.114 1.00 0.87 H new ATOM 0 HG22 THR B 84 10.928 -5.743 -3.811 1.00 0.87 H new ATOM 0 HG23 THR B 84 10.129 -6.772 -5.024 1.00 0.87 H new ATOM 3155 N LEU B 85 9.553 -6.546 -0.328 1.00 0.90 N ATOM 3156 CA LEU B 85 10.497 -6.278 0.755 1.00 0.98 C ATOM 3157 C LEU B 85 11.034 -7.570 1.382 1.00 1.07 C ATOM 3158 O LEU B 85 12.069 -7.551 2.052 1.00 1.22 O ATOM 3159 CB LEU B 85 9.823 -5.437 1.841 1.00 0.97 C ATOM 3160 CG LEU B 85 9.252 -4.095 1.372 1.00 0.91 C ATOM 3161 CD1 LEU B 85 8.397 -3.468 2.464 1.00 1.03 C ATOM 3162 CD2 LEU B 85 10.372 -3.149 0.969 1.00 1.01 C ATOM 0 H LEU B 85 8.572 -6.449 -0.065 1.00 0.90 H new ATOM 0 HA LEU B 85 11.337 -5.734 0.324 1.00 0.98 H new ATOM 0 HB2 LEU B 85 9.016 -6.022 2.281 1.00 0.97 H new ATOM 0 HB3 LEU B 85 10.548 -5.248 2.633 1.00 0.97 H new ATOM 0 HG LEU B 85 8.623 -4.277 0.501 1.00 0.91 H new ATOM 0 HD11 LEU B 85 8.000 -2.515 2.113 1.00 1.03 H new ATOM 0 HD12 LEU B 85 7.572 -4.137 2.709 1.00 1.03 H new ATOM 0 HD13 LEU B 85 9.006 -3.302 3.353 1.00 1.03 H new ATOM 0 HD21 LEU B 85 9.947 -2.201 0.639 1.00 1.01 H new ATOM 0 HD22 LEU B 85 11.026 -2.975 1.823 1.00 1.01 H new ATOM 0 HD23 LEU B 85 10.947 -3.592 0.156 1.00 1.01 H new ATOM 3174 N SER B 86 10.334 -8.681 1.159 1.00 1.08 N ATOM 3175 CA SER B 86 10.725 -9.975 1.721 1.00 1.20 C ATOM 3176 C SER B 86 12.133 -10.399 1.279 1.00 1.59 C ATOM 3177 O SER B 86 12.521 -10.203 0.121 1.00 2.11 O ATOM 3178 CB SER B 86 9.705 -11.040 1.319 1.00 1.48 C ATOM 3179 OG SER B 86 8.389 -10.618 1.638 1.00 1.78 O ATOM 0 H SER B 86 9.488 -8.712 0.590 1.00 1.08 H new ATOM 0 HA SER B 86 10.745 -9.872 2.806 1.00 1.20 H new ATOM 0 HB2 SER B 86 9.780 -11.237 0.250 1.00 1.48 H new ATOM 0 HB3 SER B 86 9.927 -11.976 1.832 1.00 1.48 H new ATOM 0 HG SER B 86 7.741 -11.192 1.178 1.00 1.78 H new