USER MOD reduce.3.24.130724 H: found=0, std=0, add=401, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 401 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 40 SER OG : rot -105:sc= 1.24 USER MOD Set 1.2: A 41 GLN : amide:sc= -1.89! C(o=-0.65!,f=-8.5!) USER MOD Set 2.1: A 22 ASN : amide:sc= -1.41 K(o=-8,f=-11!) USER MOD Set 2.2: A 53 ASN :FLIP amide:sc= -6.56! C(o=-11!,f=-8!) USER MOD Set 3.1: A 11 GLN : amide:sc= -13.2! C(o=-18!,f=-22!) USER MOD Set 3.2: A 12 ASN :FLIP amide:sc= -4.87! C(o=-24!,f=-18!) USER MOD Single : A 7 ASN :FLIP amide:sc= -2.36! C(o=-5.5!,f=-2.4!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 GLN : amide:sc= -12.7! C(o=-13!,f=-14!) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 HIS : no HD1:sc= -0.484 K(o=-0.48,f=-1.4) USER MOD Single : A 24 ASN : amide:sc= -1.68 K(o=-1.7,f=-3.1!) USER MOD Single : A 27 GLN : amide:sc= -0.724 K(o=-0.72,f=-5.5!) USER MOD Single : A 29 ASN : amide:sc= -0.13 X(o=-0.13,f=-0.25) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 SER OG : rot 83:sc= 0.808 USER MOD Single : A 36 LYS NZ :NH3+ 156:sc= 0.08 (180deg=-0.0727) USER MOD Single : A 42 SER OG : rot -53:sc= -1.65 USER MOD Single : A 44 ASN : amide:sc= -0.401 K(o=-0.4,f=-1.9!) USER MOD Single : A 50 LYS NZ :NH3+ -107:sc= -0.908 (180deg=-2.45!) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN :FLIP amide:sc= -0.207 F(o=-2.2!,f=-0.21) USER MOD ----------------------------------------------------------------- ATOM 75 N PHE A 6 13.630 3.018 0.403 1.00 1.00 N ATOM 76 CA PHE A 6 12.231 3.018 0.913 1.00 1.00 C ATOM 77 C PHE A 6 11.962 4.242 1.769 1.00 1.00 C ATOM 78 O PHE A 6 12.188 4.236 2.963 1.00 1.00 O ATOM 79 CB PHE A 6 12.028 1.753 1.752 1.00 1.00 C ATOM 80 CG PHE A 6 11.436 0.684 0.846 1.00 1.00 C ATOM 81 CD1 PHE A 6 11.953 0.492 -0.421 1.00 1.00 C ATOM 82 CD2 PHE A 6 10.346 -0.064 1.250 1.00 1.00 C ATOM 83 CE1 PHE A 6 11.389 -0.427 -1.271 1.00 1.00 C ATOM 84 CE2 PHE A 6 9.782 -0.985 0.393 1.00 1.00 C ATOM 85 CZ PHE A 6 10.307 -1.162 -0.868 1.00 1.00 C ATOM 0 HA PHE A 6 11.541 3.039 0.070 1.00 1.00 H new ATOM 0 HB2 PHE A 6 12.976 1.416 2.171 1.00 1.00 H new ATOM 0 HB3 PHE A 6 11.362 1.954 2.591 1.00 1.00 H new ATOM 0 HD1 PHE A 6 12.807 1.069 -0.745 1.00 1.00 H new ATOM 0 HD2 PHE A 6 9.935 0.073 2.239 1.00 1.00 H new ATOM 0 HE1 PHE A 6 11.800 -0.570 -2.259 1.00 1.00 H new ATOM 0 HE2 PHE A 6 8.929 -1.567 0.710 1.00 1.00 H new ATOM 0 HZ PHE A 6 9.864 -1.882 -1.540 1.00 1.00 H new ATOM 95 N ASN A 7 11.476 5.275 1.137 1.00 1.00 N ATOM 96 CA ASN A 7 11.185 6.520 1.884 1.00 1.00 C ATOM 97 C ASN A 7 10.075 7.341 1.235 1.00 1.00 C ATOM 98 O ASN A 7 9.301 7.961 1.926 1.00 1.00 O ATOM 99 CB ASN A 7 12.464 7.354 1.918 1.00 1.00 C ATOM 100 CG ASN A 7 13.433 6.806 0.879 1.00 1.00 C ATOM 101 OD1 ASN A 7 14.068 5.698 1.145 1.00 1.00 O flip ATOM 102 ND2 ASN A 7 13.623 7.376 -0.177 1.00 1.00 N flip ATOM 0 H ASN A 7 11.270 5.306 0.138 1.00 1.00 H new ATOM 0 HA ASN A 7 10.847 6.252 2.885 1.00 1.00 H new ATOM 0 HB2 ASN A 7 12.239 8.400 1.710 1.00 1.00 H new ATOM 0 HB3 ASN A 7 12.913 7.316 2.910 1.00 1.00 H new ATOM 0 HD21 ASN A 7 13.127 8.242 -0.385 1.00 1.00 H new ATOM 0 HD22 ASN A 7 14.279 6.988 -0.855 1.00 1.00 H new ATOM 109 N LYS A 8 10.030 7.353 -0.078 1.00 1.00 N ATOM 110 CA LYS A 8 8.956 8.145 -0.760 1.00 1.00 C ATOM 111 C LYS A 8 7.563 7.767 -0.234 1.00 1.00 C ATOM 112 O LYS A 8 6.829 7.029 -0.852 1.00 1.00 O ATOM 113 CB LYS A 8 9.009 7.898 -2.288 1.00 1.00 C ATOM 114 CG LYS A 8 9.788 6.598 -2.603 1.00 1.00 C ATOM 115 CD LYS A 8 9.559 6.172 -4.082 1.00 1.00 C ATOM 116 CE LYS A 8 10.547 6.928 -4.986 1.00 1.00 C ATOM 117 NZ LYS A 8 9.903 7.282 -6.281 1.00 1.00 N ATOM 0 H LYS A 8 10.675 6.860 -0.695 1.00 1.00 H new ATOM 0 HA LYS A 8 9.132 9.199 -0.547 1.00 1.00 H new ATOM 0 HB2 LYS A 8 7.997 7.827 -2.686 1.00 1.00 H new ATOM 0 HB3 LYS A 8 9.487 8.744 -2.782 1.00 1.00 H new ATOM 0 HG2 LYS A 8 10.852 6.752 -2.423 1.00 1.00 H new ATOM 0 HG3 LYS A 8 9.463 5.801 -1.934 1.00 1.00 H new ATOM 0 HD2 LYS A 8 9.700 5.096 -4.189 1.00 1.00 H new ATOM 0 HD3 LYS A 8 8.534 6.390 -4.381 1.00 1.00 H new ATOM 0 HE2 LYS A 8 10.889 7.833 -4.484 1.00 1.00 H new ATOM 0 HE3 LYS A 8 11.428 6.312 -5.167 1.00 1.00 H new ATOM 0 HZ1 LYS A 8 10.584 7.792 -6.879 1.00 1.00 H new ATOM 0 HZ2 LYS A 8 9.598 6.414 -6.766 1.00 1.00 H new ATOM 0 HZ3 LYS A 8 9.077 7.888 -6.104 1.00 1.00 H new ATOM 131 N GLU A 9 7.233 8.311 0.891 1.00 1.00 N ATOM 132 CA GLU A 9 5.907 8.025 1.512 1.00 1.00 C ATOM 133 C GLU A 9 5.529 6.535 1.438 1.00 1.00 C ATOM 134 O GLU A 9 4.361 6.202 1.398 1.00 1.00 O ATOM 135 CB GLU A 9 4.841 8.835 0.762 1.00 1.00 C ATOM 136 CG GLU A 9 5.189 10.322 0.845 1.00 1.00 C ATOM 137 CD GLU A 9 3.899 11.135 0.962 1.00 1.00 C ATOM 138 OE1 GLU A 9 3.194 11.176 -0.033 1.00 1.00 O ATOM 139 OE2 GLU A 9 3.692 11.668 2.039 1.00 1.00 O ATOM 0 H GLU A 9 7.826 8.950 1.420 1.00 1.00 H new ATOM 0 HA GLU A 9 5.964 8.300 2.565 1.00 1.00 H new ATOM 0 HB2 GLU A 9 4.792 8.518 -0.280 1.00 1.00 H new ATOM 0 HB3 GLU A 9 3.858 8.655 1.196 1.00 1.00 H new ATOM 0 HG2 GLU A 9 5.831 10.510 1.706 1.00 1.00 H new ATOM 0 HG3 GLU A 9 5.746 10.627 -0.041 1.00 1.00 H new ATOM 146 N GLN A 10 6.514 5.664 1.428 1.00 1.00 N ATOM 147 CA GLN A 10 6.189 4.203 1.357 1.00 1.00 C ATOM 148 C GLN A 10 6.071 3.571 2.746 1.00 1.00 C ATOM 149 O GLN A 10 4.990 3.264 3.204 1.00 1.00 O ATOM 150 CB GLN A 10 7.294 3.444 0.565 1.00 1.00 C ATOM 151 CG GLN A 10 7.833 4.313 -0.568 1.00 1.00 C ATOM 152 CD GLN A 10 6.731 4.567 -1.601 1.00 1.00 C ATOM 153 OE1 GLN A 10 5.589 4.205 -1.413 1.00 1.00 O ATOM 154 NE2 GLN A 10 7.034 5.175 -2.716 1.00 1.00 N ATOM 0 H GLN A 10 7.507 5.895 1.465 1.00 1.00 H new ATOM 0 HA GLN A 10 5.227 4.118 0.852 1.00 1.00 H new ATOM 0 HB2 GLN A 10 8.106 3.168 1.237 1.00 1.00 H new ATOM 0 HB3 GLN A 10 6.887 2.518 0.159 1.00 1.00 H new ATOM 0 HG2 GLN A 10 8.196 5.261 -0.170 1.00 1.00 H new ATOM 0 HG3 GLN A 10 8.682 3.821 -1.043 1.00 1.00 H new ATOM 0 HE21 GLN A 10 7.991 5.484 -2.885 1.00 1.00 H new ATOM 0 HE22 GLN A 10 6.313 5.341 -3.418 1.00 1.00 H new ATOM 163 N GLN A 11 7.188 3.395 3.381 1.00 1.00 N ATOM 164 CA GLN A 11 7.192 2.779 4.731 1.00 1.00 C ATOM 165 C GLN A 11 6.060 3.329 5.602 1.00 1.00 C ATOM 166 O GLN A 11 5.210 2.587 6.097 1.00 1.00 O ATOM 167 CB GLN A 11 8.551 3.094 5.412 1.00 1.00 C ATOM 168 CG GLN A 11 9.462 3.918 4.466 1.00 1.00 C ATOM 169 CD GLN A 11 8.835 5.295 4.225 1.00 1.00 C ATOM 170 OE1 GLN A 11 8.616 6.059 5.145 1.00 1.00 O ATOM 171 NE2 GLN A 11 8.531 5.649 3.007 1.00 1.00 N ATOM 0 H GLN A 11 8.107 3.653 3.021 1.00 1.00 H new ATOM 0 HA GLN A 11 7.046 1.704 4.623 1.00 1.00 H new ATOM 0 HB2 GLN A 11 8.381 3.649 6.335 1.00 1.00 H new ATOM 0 HB3 GLN A 11 9.050 2.164 5.686 1.00 1.00 H new ATOM 0 HG2 GLN A 11 10.454 4.030 4.905 1.00 1.00 H new ATOM 0 HG3 GLN A 11 9.590 3.394 3.519 1.00 1.00 H new ATOM 0 HE21 GLN A 11 8.712 5.013 2.231 1.00 1.00 H new ATOM 0 HE22 GLN A 11 8.112 6.562 2.831 1.00 1.00 H new ATOM 180 N ASN A 12 6.060 4.614 5.763 1.00 1.00 N ATOM 181 CA ASN A 12 5.013 5.253 6.593 1.00 1.00 C ATOM 182 C ASN A 12 3.611 4.863 6.148 1.00 1.00 C ATOM 183 O ASN A 12 2.818 4.389 6.938 1.00 1.00 O ATOM 184 CB ASN A 12 5.161 6.773 6.458 1.00 1.00 C ATOM 185 CG ASN A 12 5.993 7.098 5.208 1.00 1.00 C ATOM 186 OD1 ASN A 12 5.792 6.418 4.103 1.00 1.00 O flip ATOM 187 ND2 ASN A 12 6.834 7.976 5.223 1.00 1.00 N flip ATOM 0 H ASN A 12 6.742 5.253 5.355 1.00 1.00 H new ATOM 0 HA ASN A 12 5.142 4.921 7.623 1.00 1.00 H new ATOM 0 HB2 ASN A 12 4.179 7.240 6.385 1.00 1.00 H new ATOM 0 HB3 ASN A 12 5.644 7.182 7.346 1.00 1.00 H new ATOM 0 HD21 ASN A 12 6.998 8.510 6.076 1.00 1.00 H new ATOM 0 HD22 ASN A 12 7.375 8.178 4.382 1.00 1.00 H new ATOM 194 N ALA A 13 3.322 5.067 4.897 1.00 1.00 N ATOM 195 CA ALA A 13 1.971 4.716 4.407 1.00 1.00 C ATOM 196 C ALA A 13 1.656 3.246 4.622 1.00 1.00 C ATOM 197 O ALA A 13 0.611 2.924 5.124 1.00 1.00 O ATOM 198 CB ALA A 13 1.891 5.014 2.916 1.00 1.00 C ATOM 0 H ALA A 13 3.957 5.458 4.201 1.00 1.00 H new ATOM 0 HA ALA A 13 1.248 5.308 4.968 1.00 1.00 H new ATOM 0 HB1 ALA A 13 0.898 4.758 2.547 1.00 1.00 H new ATOM 0 HB2 ALA A 13 2.079 6.074 2.746 1.00 1.00 H new ATOM 0 HB3 ALA A 13 2.639 4.423 2.386 1.00 1.00 H new ATOM 204 N PHE A 14 2.561 2.380 4.232 1.00 1.00 N ATOM 205 CA PHE A 14 2.306 0.920 4.418 1.00 1.00 C ATOM 206 C PHE A 14 1.626 0.668 5.750 1.00 1.00 C ATOM 207 O PHE A 14 0.516 0.173 5.790 1.00 1.00 O ATOM 208 CB PHE A 14 3.660 0.180 4.383 1.00 1.00 C ATOM 209 CG PHE A 14 3.584 -1.110 5.214 1.00 1.00 C ATOM 210 CD1 PHE A 14 2.492 -1.960 5.108 1.00 1.00 C ATOM 211 CD2 PHE A 14 4.614 -1.448 6.077 1.00 1.00 C ATOM 212 CE1 PHE A 14 2.438 -3.123 5.849 1.00 1.00 C ATOM 213 CE2 PHE A 14 4.554 -2.612 6.816 1.00 1.00 C ATOM 214 CZ PHE A 14 3.467 -3.446 6.704 1.00 1.00 C ATOM 0 H PHE A 14 3.453 2.618 3.799 1.00 1.00 H new ATOM 0 HA PHE A 14 1.654 0.559 3.623 1.00 1.00 H new ATOM 0 HB2 PHE A 14 3.926 -0.058 3.353 1.00 1.00 H new ATOM 0 HB3 PHE A 14 4.446 0.827 4.774 1.00 1.00 H new ATOM 0 HD1 PHE A 14 1.680 -1.710 4.442 1.00 1.00 H new ATOM 0 HD2 PHE A 14 5.470 -0.796 6.172 1.00 1.00 H new ATOM 0 HE1 PHE A 14 1.586 -3.781 5.758 1.00 1.00 H new ATOM 0 HE2 PHE A 14 5.363 -2.868 7.484 1.00 1.00 H new ATOM 0 HZ PHE A 14 3.420 -4.354 7.287 1.00 1.00 H new ATOM 224 N TYR A 15 2.262 1.044 6.823 1.00 1.00 N ATOM 225 CA TYR A 15 1.603 0.795 8.131 1.00 1.00 C ATOM 226 C TYR A 15 0.156 1.291 8.111 1.00 1.00 C ATOM 227 O TYR A 15 -0.700 0.737 8.771 1.00 1.00 O ATOM 228 CB TYR A 15 2.371 1.539 9.235 1.00 1.00 C ATOM 229 CG TYR A 15 3.771 0.941 9.376 1.00 1.00 C ATOM 230 CD1 TYR A 15 3.939 -0.344 9.849 1.00 1.00 C ATOM 231 CD2 TYR A 15 4.888 1.680 9.035 1.00 1.00 C ATOM 232 CE1 TYR A 15 5.204 -0.882 9.980 1.00 1.00 C ATOM 233 CE2 TYR A 15 6.151 1.142 9.167 1.00 1.00 C ATOM 234 CZ TYR A 15 6.318 -0.142 9.640 1.00 1.00 C ATOM 235 OH TYR A 15 7.582 -0.679 9.771 1.00 1.00 O ATOM 0 H TYR A 15 3.176 1.496 6.854 1.00 1.00 H new ATOM 0 HA TYR A 15 1.606 -0.278 8.324 1.00 1.00 H new ATOM 0 HB2 TYR A 15 2.440 2.600 8.993 1.00 1.00 H new ATOM 0 HB3 TYR A 15 1.834 1.462 10.181 1.00 1.00 H new ATOM 0 HD1 TYR A 15 3.075 -0.933 10.119 1.00 1.00 H new ATOM 0 HD2 TYR A 15 4.771 2.687 8.662 1.00 1.00 H new ATOM 0 HE1 TYR A 15 5.322 -1.889 10.351 1.00 1.00 H new ATOM 0 HE2 TYR A 15 7.015 1.731 8.898 1.00 1.00 H new ATOM 0 HH TYR A 15 8.249 -0.020 9.485 1.00 1.00 H new ATOM 245 N GLU A 16 -0.091 2.325 7.354 1.00 1.00 N ATOM 246 CA GLU A 16 -1.480 2.859 7.281 1.00 1.00 C ATOM 247 C GLU A 16 -2.342 2.047 6.298 1.00 1.00 C ATOM 248 O GLU A 16 -3.448 1.674 6.620 1.00 1.00 O ATOM 249 CB GLU A 16 -1.422 4.321 6.809 1.00 1.00 C ATOM 250 CG GLU A 16 -0.455 5.098 7.707 1.00 1.00 C ATOM 251 CD GLU A 16 -0.976 6.525 7.891 1.00 1.00 C ATOM 252 OE1 GLU A 16 -1.834 6.681 8.744 1.00 1.00 O ATOM 253 OE2 GLU A 16 -0.485 7.377 7.170 1.00 1.00 O ATOM 0 H GLU A 16 0.600 2.818 6.789 1.00 1.00 H new ATOM 0 HA GLU A 16 -1.932 2.787 8.270 1.00 1.00 H new ATOM 0 HB2 GLU A 16 -1.092 4.369 5.771 1.00 1.00 H new ATOM 0 HB3 GLU A 16 -2.415 4.769 6.849 1.00 1.00 H new ATOM 0 HG2 GLU A 16 -0.362 4.604 8.674 1.00 1.00 H new ATOM 0 HG3 GLU A 16 0.540 5.116 7.261 1.00 1.00 H new ATOM 260 N ILE A 17 -1.818 1.794 5.114 1.00 1.00 N ATOM 261 CA ILE A 17 -2.605 1.006 4.111 1.00 1.00 C ATOM 262 C ILE A 17 -3.309 -0.158 4.785 1.00 1.00 C ATOM 263 O ILE A 17 -4.378 -0.556 4.381 1.00 1.00 O ATOM 264 CB ILE A 17 -1.631 0.419 3.058 1.00 1.00 C ATOM 265 CG1 ILE A 17 -0.798 1.518 2.432 1.00 1.00 C ATOM 266 CG2 ILE A 17 -2.427 -0.268 1.920 1.00 1.00 C ATOM 267 CD1 ILE A 17 0.091 0.910 1.342 1.00 1.00 C ATOM 0 H ILE A 17 -0.894 2.096 4.806 1.00 1.00 H new ATOM 0 HA ILE A 17 -3.339 1.666 3.649 1.00 1.00 H new ATOM 0 HB ILE A 17 -0.988 -0.299 3.567 1.00 1.00 H new ATOM 0 HG12 ILE A 17 -1.445 2.285 2.006 1.00 1.00 H new ATOM 0 HG13 ILE A 17 -0.185 2.004 3.191 1.00 1.00 H new ATOM 0 HG21 ILE A 17 -1.733 -0.677 1.186 1.00 1.00 H new ATOM 0 HG22 ILE A 17 -3.033 -1.074 2.335 1.00 1.00 H new ATOM 0 HG23 ILE A 17 -3.076 0.463 1.438 1.00 1.00 H new ATOM 0 HD11 ILE A 17 0.695 1.694 0.885 1.00 1.00 H new ATOM 0 HD12 ILE A 17 0.746 0.159 1.784 1.00 1.00 H new ATOM 0 HD13 ILE A 17 -0.534 0.444 0.581 1.00 1.00 H new ATOM 279 N LEU A 18 -2.710 -0.667 5.820 1.00 1.00 N ATOM 280 CA LEU A 18 -3.334 -1.820 6.517 1.00 1.00 C ATOM 281 C LEU A 18 -4.404 -1.396 7.513 1.00 1.00 C ATOM 282 O LEU A 18 -4.560 -1.998 8.559 1.00 1.00 O ATOM 283 CB LEU A 18 -2.218 -2.574 7.236 1.00 1.00 C ATOM 284 CG LEU A 18 -1.489 -3.481 6.221 1.00 1.00 C ATOM 285 CD1 LEU A 18 -2.428 -4.619 5.748 1.00 1.00 C ATOM 286 CD2 LEU A 18 -1.055 -2.625 5.016 1.00 1.00 C ATOM 0 H LEU A 18 -1.826 -0.340 6.210 1.00 1.00 H new ATOM 0 HA LEU A 18 -3.836 -2.449 5.782 1.00 1.00 H new ATOM 0 HB2 LEU A 18 -1.516 -1.870 7.684 1.00 1.00 H new ATOM 0 HB3 LEU A 18 -2.631 -3.173 8.048 1.00 1.00 H new ATOM 0 HG LEU A 18 -0.615 -3.929 6.693 1.00 1.00 H new ATOM 0 HD11 LEU A 18 -1.902 -5.251 5.033 1.00 1.00 H new ATOM 0 HD12 LEU A 18 -2.734 -5.218 6.606 1.00 1.00 H new ATOM 0 HD13 LEU A 18 -3.310 -4.189 5.273 1.00 1.00 H new ATOM 0 HD21 LEU A 18 -0.538 -3.253 4.291 1.00 1.00 H new ATOM 0 HD22 LEU A 18 -1.934 -2.180 4.550 1.00 1.00 H new ATOM 0 HD23 LEU A 18 -0.385 -1.835 5.354 1.00 1.00 H new ATOM 298 N HIS A 19 -5.117 -0.367 7.165 1.00 1.00 N ATOM 299 CA HIS A 19 -6.201 0.118 8.071 1.00 1.00 C ATOM 300 C HIS A 19 -7.475 0.474 7.287 1.00 1.00 C ATOM 301 O HIS A 19 -8.558 0.480 7.831 1.00 1.00 O ATOM 302 CB HIS A 19 -5.693 1.341 8.815 1.00 1.00 C ATOM 303 CG HIS A 19 -4.719 0.842 9.859 1.00 1.00 C ATOM 304 ND1 HIS A 19 -3.529 1.186 9.944 1.00 1.00 N ATOM 305 CD2 HIS A 19 -4.900 -0.112 10.840 1.00 1.00 C ATOM 306 CE1 HIS A 19 -2.937 0.552 10.861 1.00 1.00 C ATOM 307 NE2 HIS A 19 -3.736 -0.300 11.492 1.00 1.00 N ATOM 0 H HIS A 19 -5.001 0.160 6.299 1.00 1.00 H new ATOM 0 HA HIS A 19 -6.460 -0.677 8.771 1.00 1.00 H new ATOM 0 HB2 HIS A 19 -5.205 2.035 8.131 1.00 1.00 H new ATOM 0 HB3 HIS A 19 -6.517 1.880 9.281 1.00 1.00 H new ATOM 0 HD2 HIS A 19 -5.826 -0.626 11.051 1.00 1.00 H new ATOM 0 HE1 HIS A 19 -1.894 0.688 11.106 1.00 1.00 H new ATOM 0 HE2 HIS A 19 -3.525 -0.930 12.266 1.00 1.00 H new ATOM 315 N LEU A 20 -7.307 0.749 6.019 1.00 1.00 N ATOM 316 CA LEU A 20 -8.470 1.107 5.152 1.00 1.00 C ATOM 317 C LEU A 20 -9.703 0.176 5.430 1.00 1.00 C ATOM 318 O LEU A 20 -9.779 -0.931 4.903 1.00 1.00 O ATOM 319 CB LEU A 20 -7.992 0.901 3.730 1.00 1.00 C ATOM 320 CG LEU A 20 -6.855 1.906 3.448 1.00 1.00 C ATOM 321 CD1 LEU A 20 -6.208 1.594 2.099 1.00 1.00 C ATOM 322 CD2 LEU A 20 -7.414 3.336 3.414 1.00 1.00 C ATOM 0 H LEU A 20 -6.405 0.741 5.543 1.00 1.00 H new ATOM 0 HA LEU A 20 -8.796 2.129 5.344 1.00 1.00 H new ATOM 0 HB2 LEU A 20 -7.638 -0.121 3.593 1.00 1.00 H new ATOM 0 HB3 LEU A 20 -8.813 1.050 3.029 1.00 1.00 H new ATOM 0 HG LEU A 20 -6.111 1.823 4.241 1.00 1.00 H new ATOM 0 HD11 LEU A 20 -5.406 2.307 1.906 1.00 1.00 H new ATOM 0 HD12 LEU A 20 -5.799 0.584 2.117 1.00 1.00 H new ATOM 0 HD13 LEU A 20 -6.957 1.668 1.310 1.00 1.00 H new ATOM 0 HD21 LEU A 20 -6.605 4.038 3.214 1.00 1.00 H new ATOM 0 HD22 LEU A 20 -8.165 3.415 2.628 1.00 1.00 H new ATOM 0 HD23 LEU A 20 -7.870 3.571 4.376 1.00 1.00 H new ATOM 334 N PRO A 21 -10.694 0.676 6.188 1.00 1.00 N ATOM 335 CA PRO A 21 -11.882 -0.127 6.533 1.00 1.00 C ATOM 336 C PRO A 21 -12.832 -0.363 5.365 1.00 1.00 C ATOM 337 O PRO A 21 -13.766 -1.130 5.490 1.00 1.00 O ATOM 338 CB PRO A 21 -12.624 0.729 7.579 1.00 1.00 C ATOM 339 CG PRO A 21 -12.008 2.158 7.530 1.00 1.00 C ATOM 340 CD PRO A 21 -10.743 2.076 6.680 1.00 1.00 C ATOM 0 HA PRO A 21 -11.569 -1.115 6.870 1.00 1.00 H new ATOM 0 HB2 PRO A 21 -13.691 0.763 7.360 1.00 1.00 H new ATOM 0 HB3 PRO A 21 -12.516 0.298 8.574 1.00 1.00 H new ATOM 0 HG2 PRO A 21 -12.715 2.867 7.100 1.00 1.00 H new ATOM 0 HG3 PRO A 21 -11.774 2.511 8.535 1.00 1.00 H new ATOM 0 HD2 PRO A 21 -10.779 2.783 5.852 1.00 1.00 H new ATOM 0 HD3 PRO A 21 -9.857 2.318 7.268 1.00 1.00 H new ATOM 348 N ASN A 22 -12.589 0.277 4.256 1.00 1.00 N ATOM 349 CA ASN A 22 -13.506 0.082 3.107 1.00 1.00 C ATOM 350 C ASN A 22 -13.030 -0.959 2.090 1.00 1.00 C ATOM 351 O ASN A 22 -13.647 -1.087 1.051 1.00 1.00 O ATOM 352 CB ASN A 22 -13.651 1.427 2.392 1.00 1.00 C ATOM 353 CG ASN A 22 -12.445 2.314 2.714 1.00 1.00 C ATOM 354 OD1 ASN A 22 -11.319 1.989 2.395 1.00 1.00 O ATOM 355 ND2 ASN A 22 -12.638 3.442 3.343 1.00 1.00 N ATOM 0 H ASN A 22 -11.809 0.915 4.099 1.00 1.00 H new ATOM 0 HA ASN A 22 -14.448 -0.291 3.510 1.00 1.00 H new ATOM 0 HB2 ASN A 22 -13.724 1.272 1.316 1.00 1.00 H new ATOM 0 HB3 ASN A 22 -14.571 1.920 2.706 1.00 1.00 H new ATOM 0 HD21 ASN A 22 -11.845 4.045 3.564 1.00 1.00 H new ATOM 0 HD22 ASN A 22 -13.581 3.720 3.613 1.00 1.00 H new ATOM 362 N LEU A 23 -11.959 -1.690 2.373 1.00 1.00 N ATOM 363 CA LEU A 23 -11.517 -2.699 1.361 1.00 1.00 C ATOM 364 C LEU A 23 -11.224 -4.056 1.955 1.00 1.00 C ATOM 365 O LEU A 23 -10.995 -4.198 3.141 1.00 1.00 O ATOM 366 CB LEU A 23 -10.203 -2.249 0.715 1.00 1.00 C ATOM 367 CG LEU A 23 -9.963 -0.747 0.877 1.00 1.00 C ATOM 368 CD1 LEU A 23 -8.485 -0.470 0.583 1.00 1.00 C ATOM 369 CD2 LEU A 23 -10.854 0.009 -0.116 1.00 1.00 C ATOM 0 H LEU A 23 -11.401 -1.630 3.224 1.00 1.00 H new ATOM 0 HA LEU A 23 -12.343 -2.775 0.653 1.00 1.00 H new ATOM 0 HB2 LEU A 23 -9.374 -2.798 1.162 1.00 1.00 H new ATOM 0 HB3 LEU A 23 -10.217 -2.501 -0.345 1.00 1.00 H new ATOM 0 HG LEU A 23 -10.205 -0.418 1.887 1.00 1.00 H new ATOM 0 HD11 LEU A 23 -8.286 0.596 0.692 1.00 1.00 H new ATOM 0 HD12 LEU A 23 -7.864 -1.028 1.284 1.00 1.00 H new ATOM 0 HD13 LEU A 23 -8.252 -0.781 -0.436 1.00 1.00 H new ATOM 0 HD21 LEU A 23 -10.690 1.081 -0.008 1.00 1.00 H new ATOM 0 HD22 LEU A 23 -10.606 -0.296 -1.133 1.00 1.00 H new ATOM 0 HD23 LEU A 23 -11.900 -0.220 0.086 1.00 1.00 H new ATOM 381 N ASN A 24 -11.245 -5.043 1.091 1.00 1.00 N ATOM 382 CA ASN A 24 -10.949 -6.410 1.539 1.00 1.00 C ATOM 383 C ASN A 24 -9.464 -6.619 1.370 1.00 1.00 C ATOM 384 O ASN A 24 -8.818 -5.864 0.651 1.00 1.00 O ATOM 385 CB ASN A 24 -11.707 -7.413 0.675 1.00 1.00 C ATOM 386 CG ASN A 24 -12.127 -6.734 -0.617 1.00 1.00 C ATOM 387 OD1 ASN A 24 -12.974 -5.864 -0.626 1.00 1.00 O ATOM 388 ND2 ASN A 24 -11.566 -7.092 -1.725 1.00 1.00 N ATOM 0 H ASN A 24 -11.456 -4.946 0.098 1.00 1.00 H new ATOM 0 HA ASN A 24 -11.250 -6.552 2.577 1.00 1.00 H new ATOM 0 HB2 ASN A 24 -11.077 -8.276 0.459 1.00 1.00 H new ATOM 0 HB3 ASN A 24 -12.583 -7.783 1.208 1.00 1.00 H new ATOM 0 HD21 ASN A 24 -11.835 -6.644 -2.601 1.00 1.00 H new ATOM 0 HD22 ASN A 24 -10.854 -7.822 -1.723 1.00 1.00 H new ATOM 395 N GLU A 25 -8.930 -7.628 1.971 1.00 1.00 N ATOM 396 CA GLU A 25 -7.477 -7.810 1.818 1.00 1.00 C ATOM 397 C GLU A 25 -7.076 -8.589 0.589 1.00 1.00 C ATOM 398 O GLU A 25 -5.932 -8.543 0.211 1.00 1.00 O ATOM 399 CB GLU A 25 -6.898 -8.462 3.058 1.00 1.00 C ATOM 400 CG GLU A 25 -5.748 -7.566 3.523 1.00 1.00 C ATOM 401 CD GLU A 25 -5.045 -8.203 4.723 1.00 1.00 C ATOM 402 OE1 GLU A 25 -5.741 -8.441 5.695 1.00 1.00 O ATOM 403 OE2 GLU A 25 -3.852 -8.414 4.598 1.00 1.00 O ATOM 0 H GLU A 25 -9.418 -8.316 2.545 1.00 1.00 H new ATOM 0 HA GLU A 25 -7.064 -6.810 1.687 1.00 1.00 H new ATOM 0 HB2 GLU A 25 -7.655 -8.556 3.836 1.00 1.00 H new ATOM 0 HB3 GLU A 25 -6.541 -9.468 2.837 1.00 1.00 H new ATOM 0 HG2 GLU A 25 -5.037 -7.420 2.710 1.00 1.00 H new ATOM 0 HG3 GLU A 25 -6.129 -6.581 3.794 1.00 1.00 H new ATOM 410 N GLU A 26 -7.977 -9.294 -0.024 1.00 1.00 N ATOM 411 CA GLU A 26 -7.543 -10.030 -1.233 1.00 1.00 C ATOM 412 C GLU A 26 -6.813 -9.041 -2.135 1.00 1.00 C ATOM 413 O GLU A 26 -5.678 -9.256 -2.536 1.00 1.00 O ATOM 414 CB GLU A 26 -8.777 -10.586 -1.967 1.00 1.00 C ATOM 415 CG GLU A 26 -8.408 -11.927 -2.608 1.00 1.00 C ATOM 416 CD GLU A 26 -9.518 -12.361 -3.568 1.00 1.00 C ATOM 417 OE1 GLU A 26 -10.626 -11.895 -3.364 1.00 1.00 O ATOM 418 OE2 GLU A 26 -9.194 -13.137 -4.452 1.00 1.00 O ATOM 0 H GLU A 26 -8.956 -9.391 0.245 1.00 1.00 H new ATOM 0 HA GLU A 26 -6.891 -10.861 -0.966 1.00 1.00 H new ATOM 0 HB2 GLU A 26 -9.604 -10.716 -1.269 1.00 1.00 H new ATOM 0 HB3 GLU A 26 -9.111 -9.883 -2.730 1.00 1.00 H new ATOM 0 HG2 GLU A 26 -7.464 -11.837 -3.145 1.00 1.00 H new ATOM 0 HG3 GLU A 26 -8.265 -12.683 -1.836 1.00 1.00 H new ATOM 425 N GLN A 27 -7.466 -7.940 -2.384 1.00 1.00 N ATOM 426 CA GLN A 27 -6.854 -6.903 -3.239 1.00 1.00 C ATOM 427 C GLN A 27 -5.744 -6.197 -2.470 1.00 1.00 C ATOM 428 O GLN A 27 -4.635 -6.039 -2.968 1.00 1.00 O ATOM 429 CB GLN A 27 -7.926 -5.862 -3.614 1.00 1.00 C ATOM 430 CG GLN A 27 -9.253 -6.562 -3.928 1.00 1.00 C ATOM 431 CD GLN A 27 -9.057 -7.509 -5.113 1.00 1.00 C ATOM 432 OE1 GLN A 27 -8.364 -8.502 -5.021 1.00 1.00 O ATOM 433 NE2 GLN A 27 -9.652 -7.239 -6.243 1.00 1.00 N ATOM 0 H GLN A 27 -8.397 -7.720 -2.029 1.00 1.00 H new ATOM 0 HA GLN A 27 -6.446 -7.369 -4.136 1.00 1.00 H new ATOM 0 HB2 GLN A 27 -8.063 -5.158 -2.793 1.00 1.00 H new ATOM 0 HB3 GLN A 27 -7.597 -5.285 -4.478 1.00 1.00 H new ATOM 0 HG2 GLN A 27 -9.599 -7.118 -3.057 1.00 1.00 H new ATOM 0 HG3 GLN A 27 -10.021 -5.824 -4.161 1.00 1.00 H new ATOM 0 HE21 GLN A 27 -10.235 -6.406 -6.326 1.00 1.00 H new ATOM 0 HE22 GLN A 27 -9.534 -7.861 -7.043 1.00 1.00 H new ATOM 442 N ARG A 28 -6.053 -5.777 -1.257 1.00 1.00 N ATOM 443 CA ARG A 28 -5.011 -5.088 -0.467 1.00 1.00 C ATOM 444 C ARG A 28 -3.823 -5.971 -0.311 1.00 1.00 C ATOM 445 O ARG A 28 -2.769 -5.652 -0.819 1.00 1.00 O ATOM 446 CB ARG A 28 -5.567 -4.708 0.910 1.00 1.00 C ATOM 447 CG ARG A 28 -5.070 -3.315 1.289 1.00 1.00 C ATOM 448 CD ARG A 28 -5.238 -3.121 2.792 1.00 1.00 C ATOM 449 NE ARG A 28 -6.369 -3.966 3.263 1.00 1.00 N ATOM 450 CZ ARG A 28 -6.608 -4.063 4.539 1.00 1.00 C ATOM 451 NH1 ARG A 28 -5.723 -4.641 5.303 1.00 1.00 N ATOM 452 NH2 ARG A 28 -7.727 -3.580 5.011 1.00 1.00 N ATOM 0 H ARG A 28 -6.960 -5.884 -0.803 1.00 1.00 H new ATOM 0 HA ARG A 28 -4.710 -4.181 -0.991 1.00 1.00 H new ATOM 0 HB2 ARG A 28 -6.657 -4.725 0.892 1.00 1.00 H new ATOM 0 HB3 ARG A 28 -5.249 -5.436 1.657 1.00 1.00 H new ATOM 0 HG2 ARG A 28 -4.023 -3.200 1.009 1.00 1.00 H new ATOM 0 HG3 ARG A 28 -5.631 -2.554 0.746 1.00 1.00 H new ATOM 0 HD2 ARG A 28 -4.320 -3.395 3.312 1.00 1.00 H new ATOM 0 HD3 ARG A 28 -5.431 -2.072 3.018 1.00 1.00 H new ATOM 0 HE ARG A 28 -6.952 -4.465 2.591 1.00 1.00 H new ATOM 0 HH11 ARG A 28 -4.861 -5.008 4.898 1.00 1.00 H new ATOM 0 HH12 ARG A 28 -5.892 -4.726 6.305 1.00 1.00 H new ATOM 0 HH21 ARG A 28 -8.396 -3.136 4.382 1.00 1.00 H new ATOM 0 HH22 ARG A 28 -7.931 -3.647 6.008 1.00 1.00 H new ATOM 466 N ASN A 29 -3.988 -7.059 0.386 1.00 1.00 N ATOM 467 CA ASN A 29 -2.840 -7.965 0.553 1.00 1.00 C ATOM 468 C ASN A 29 -2.111 -8.078 -0.763 1.00 1.00 C ATOM 469 O ASN A 29 -0.942 -8.236 -0.792 1.00 1.00 O ATOM 470 CB ASN A 29 -3.342 -9.361 0.949 1.00 1.00 C ATOM 471 CG ASN A 29 -2.147 -10.296 1.125 1.00 1.00 C ATOM 472 OD1 ASN A 29 -1.296 -10.087 1.966 1.00 1.00 O ATOM 473 ND2 ASN A 29 -2.047 -11.340 0.347 1.00 1.00 N ATOM 0 H ASN A 29 -4.855 -7.350 0.837 1.00 1.00 H new ATOM 0 HA ASN A 29 -2.178 -7.574 1.326 1.00 1.00 H new ATOM 0 HB2 ASN A 29 -3.914 -9.305 1.875 1.00 1.00 H new ATOM 0 HB3 ASN A 29 -4.013 -9.750 0.183 1.00 1.00 H new ATOM 0 HD21 ASN A 29 -1.256 -11.977 0.447 1.00 1.00 H new ATOM 0 HD22 ASN A 29 -2.760 -11.519 -0.360 1.00 1.00 H new ATOM 480 N GLY A 30 -2.829 -7.953 -1.841 1.00 1.00 N ATOM 481 CA GLY A 30 -2.163 -8.055 -3.155 1.00 1.00 C ATOM 482 C GLY A 30 -1.013 -7.042 -3.276 1.00 1.00 C ATOM 483 O GLY A 30 0.172 -7.412 -3.216 1.00 1.00 O ATOM 0 H GLY A 30 -3.835 -7.787 -1.865 1.00 1.00 H new ATOM 0 HA2 GLY A 30 -1.777 -9.065 -3.293 1.00 1.00 H new ATOM 0 HA3 GLY A 30 -2.890 -7.881 -3.948 1.00 1.00 H new ATOM 487 N PHE A 31 -1.353 -5.773 -3.391 1.00 1.00 N ATOM 488 CA PHE A 31 -0.258 -4.785 -3.533 1.00 1.00 C ATOM 489 C PHE A 31 0.773 -4.897 -2.432 1.00 1.00 C ATOM 490 O PHE A 31 1.942 -5.149 -2.673 1.00 1.00 O ATOM 491 CB PHE A 31 -0.764 -3.302 -3.545 1.00 1.00 C ATOM 492 CG PHE A 31 -2.076 -3.039 -2.858 1.00 1.00 C ATOM 493 CD1 PHE A 31 -3.267 -3.186 -3.534 1.00 1.00 C ATOM 494 CD2 PHE A 31 -2.082 -2.393 -1.640 1.00 1.00 C ATOM 495 CE1 PHE A 31 -4.427 -2.678 -3.000 1.00 1.00 C ATOM 496 CE2 PHE A 31 -3.238 -1.896 -1.124 1.00 1.00 C ATOM 497 CZ PHE A 31 -4.399 -2.028 -1.786 1.00 1.00 C ATOM 0 H PHE A 31 -2.303 -5.402 -3.392 1.00 1.00 H new ATOM 0 HA PHE A 31 0.191 -5.028 -4.496 1.00 1.00 H new ATOM 0 HB2 PHE A 31 -0.002 -2.677 -3.079 1.00 1.00 H new ATOM 0 HB3 PHE A 31 -0.850 -2.979 -4.582 1.00 1.00 H new ATOM 0 HD1 PHE A 31 -3.289 -3.700 -4.483 1.00 1.00 H new ATOM 0 HD2 PHE A 31 -1.159 -2.280 -1.090 1.00 1.00 H new ATOM 0 HE1 PHE A 31 -5.360 -2.788 -3.532 1.00 1.00 H new ATOM 0 HE2 PHE A 31 -3.222 -1.389 -0.170 1.00 1.00 H new ATOM 0 HZ PHE A 31 -5.309 -1.625 -1.367 1.00 1.00 H new ATOM 507 N ILE A 32 0.344 -4.746 -1.251 1.00 1.00 N ATOM 508 CA ILE A 32 1.310 -4.819 -0.162 1.00 1.00 C ATOM 509 C ILE A 32 1.982 -6.170 -0.026 1.00 1.00 C ATOM 510 O ILE A 32 3.148 -6.218 0.292 1.00 1.00 O ATOM 511 CB ILE A 32 0.626 -4.452 1.126 1.00 1.00 C ATOM 512 CG1 ILE A 32 -0.865 -4.752 1.027 1.00 1.00 C ATOM 513 CG2 ILE A 32 0.840 -2.947 1.306 1.00 1.00 C ATOM 514 CD1 ILE A 32 -1.517 -4.646 2.399 1.00 1.00 C ATOM 0 H ILE A 32 -0.625 -4.576 -0.983 1.00 1.00 H new ATOM 0 HA ILE A 32 2.106 -4.113 -0.397 1.00 1.00 H new ATOM 0 HB ILE A 32 1.027 -5.019 1.966 1.00 1.00 H new ATOM 0 HG12 ILE A 32 -1.338 -4.054 0.337 1.00 1.00 H new ATOM 0 HG13 ILE A 32 -1.016 -5.752 0.621 1.00 1.00 H new ATOM 0 HG21 ILE A 32 0.363 -2.620 2.230 1.00 1.00 H new ATOM 0 HG22 ILE A 32 1.908 -2.735 1.354 1.00 1.00 H new ATOM 0 HG23 ILE A 32 0.402 -2.414 0.463 1.00 1.00 H new ATOM 0 HD11 ILE A 32 -2.582 -4.863 2.314 1.00 1.00 H new ATOM 0 HD12 ILE A 32 -1.054 -5.362 3.078 1.00 1.00 H new ATOM 0 HD13 ILE A 32 -1.382 -3.637 2.789 1.00 1.00 H new ATOM 526 N GLN A 33 1.279 -7.247 -0.267 1.00 1.00 N ATOM 527 CA GLN A 33 1.976 -8.551 -0.119 1.00 1.00 C ATOM 528 C GLN A 33 3.292 -8.473 -0.831 1.00 1.00 C ATOM 529 O GLN A 33 4.262 -9.081 -0.423 1.00 1.00 O ATOM 530 CB GLN A 33 1.158 -9.717 -0.719 1.00 1.00 C ATOM 531 CG GLN A 33 2.058 -10.953 -0.851 1.00 1.00 C ATOM 532 CD GLN A 33 1.186 -12.190 -1.064 1.00 1.00 C ATOM 533 OE1 GLN A 33 0.550 -12.345 -2.087 1.00 1.00 O ATOM 534 NE2 GLN A 33 1.131 -13.095 -0.127 1.00 1.00 N ATOM 0 H GLN A 33 0.299 -7.280 -0.547 1.00 1.00 H new ATOM 0 HA GLN A 33 2.109 -8.745 0.945 1.00 1.00 H new ATOM 0 HB2 GLN A 33 0.303 -9.942 -0.082 1.00 1.00 H new ATOM 0 HB3 GLN A 33 0.763 -9.435 -1.695 1.00 1.00 H new ATOM 0 HG2 GLN A 33 2.745 -10.829 -1.688 1.00 1.00 H new ATOM 0 HG3 GLN A 33 2.666 -11.072 0.046 1.00 1.00 H new ATOM 0 HE21 GLN A 33 1.663 -12.970 0.734 1.00 1.00 H new ATOM 0 HE22 GLN A 33 0.556 -13.928 -0.255 1.00 1.00 H new ATOM 543 N SER A 34 3.318 -7.718 -1.896 1.00 1.00 N ATOM 544 CA SER A 34 4.593 -7.600 -2.617 1.00 1.00 C ATOM 545 C SER A 34 5.513 -6.643 -1.856 1.00 1.00 C ATOM 546 O SER A 34 6.709 -6.824 -1.834 1.00 1.00 O ATOM 547 CB SER A 34 4.326 -7.054 -4.019 1.00 1.00 C ATOM 548 OG SER A 34 2.917 -6.880 -4.056 1.00 1.00 O ATOM 0 H SER A 34 2.531 -7.196 -2.281 1.00 1.00 H new ATOM 0 HA SER A 34 5.071 -8.577 -2.693 1.00 1.00 H new ATOM 0 HB2 SER A 34 4.849 -6.113 -4.187 1.00 1.00 H new ATOM 0 HB3 SER A 34 4.663 -7.748 -4.789 1.00 1.00 H new ATOM 0 HG SER A 34 2.682 -6.026 -3.637 1.00 1.00 H new ATOM 554 N LEU A 35 4.926 -5.638 -1.229 1.00 1.00 N ATOM 555 CA LEU A 35 5.740 -4.668 -0.465 1.00 1.00 C ATOM 556 C LEU A 35 6.567 -5.355 0.625 1.00 1.00 C ATOM 557 O LEU A 35 7.691 -4.970 0.875 1.00 1.00 O ATOM 558 CB LEU A 35 4.772 -3.656 0.192 1.00 1.00 C ATOM 559 CG LEU A 35 5.540 -2.712 1.099 1.00 1.00 C ATOM 560 CD1 LEU A 35 5.031 -1.266 0.915 1.00 1.00 C ATOM 561 CD2 LEU A 35 5.306 -3.115 2.559 1.00 1.00 C ATOM 0 H LEU A 35 3.921 -5.462 -1.223 1.00 1.00 H new ATOM 0 HA LEU A 35 6.436 -4.175 -1.144 1.00 1.00 H new ATOM 0 HB2 LEU A 35 4.250 -3.088 -0.578 1.00 1.00 H new ATOM 0 HB3 LEU A 35 4.013 -4.187 0.766 1.00 1.00 H new ATOM 0 HG LEU A 35 6.599 -2.767 0.846 1.00 1.00 H new ATOM 0 HD11 LEU A 35 5.589 -0.598 1.571 1.00 1.00 H new ATOM 0 HD12 LEU A 35 5.173 -0.960 -0.121 1.00 1.00 H new ATOM 0 HD13 LEU A 35 3.971 -1.219 1.166 1.00 1.00 H new ATOM 0 HD21 LEU A 35 5.855 -2.440 3.215 1.00 1.00 H new ATOM 0 HD22 LEU A 35 4.242 -3.056 2.787 1.00 1.00 H new ATOM 0 HD23 LEU A 35 5.654 -4.136 2.715 1.00 1.00 H new ATOM 573 N LYS A 36 6.008 -6.354 1.259 1.00 1.00 N ATOM 574 CA LYS A 36 6.784 -7.045 2.332 1.00 1.00 C ATOM 575 C LYS A 36 7.633 -8.194 1.781 1.00 1.00 C ATOM 576 O LYS A 36 8.790 -8.330 2.132 1.00 1.00 O ATOM 577 CB LYS A 36 5.817 -7.610 3.397 1.00 1.00 C ATOM 578 CG LYS A 36 4.430 -7.907 2.784 1.00 1.00 C ATOM 579 CD LYS A 36 3.513 -6.673 2.914 1.00 1.00 C ATOM 580 CE LYS A 36 3.222 -6.383 4.397 1.00 1.00 C ATOM 581 NZ LYS A 36 1.788 -6.022 4.580 1.00 1.00 N ATOM 0 H LYS A 36 5.070 -6.715 1.086 1.00 1.00 H new ATOM 0 HA LYS A 36 7.453 -6.305 2.772 1.00 1.00 H new ATOM 0 HB2 LYS A 36 6.233 -8.523 3.823 1.00 1.00 H new ATOM 0 HB3 LYS A 36 5.712 -6.896 4.214 1.00 1.00 H new ATOM 0 HG2 LYS A 36 4.539 -8.179 1.734 1.00 1.00 H new ATOM 0 HG3 LYS A 36 3.977 -8.760 3.288 1.00 1.00 H new ATOM 0 HD2 LYS A 36 3.988 -5.807 2.453 1.00 1.00 H new ATOM 0 HD3 LYS A 36 2.579 -6.847 2.379 1.00 1.00 H new ATOM 0 HE2 LYS A 36 3.464 -7.258 5.000 1.00 1.00 H new ATOM 0 HE3 LYS A 36 3.857 -5.569 4.747 1.00 1.00 H new ATOM 0 HZ1 LYS A 36 1.502 -6.222 5.560 1.00 1.00 H new ATOM 0 HZ2 LYS A 36 1.657 -5.010 4.381 1.00 1.00 H new ATOM 0 HZ3 LYS A 36 1.203 -6.582 3.927 1.00 1.00 H new ATOM 595 N ASP A 37 7.055 -9.001 0.933 1.00 1.00 N ATOM 596 CA ASP A 37 7.833 -10.140 0.367 1.00 1.00 C ATOM 597 C ASP A 37 8.645 -9.708 -0.852 1.00 1.00 C ATOM 598 O ASP A 37 9.464 -10.453 -1.349 1.00 1.00 O ATOM 599 CB ASP A 37 6.847 -11.232 -0.066 1.00 1.00 C ATOM 600 CG ASP A 37 6.024 -11.682 1.142 1.00 1.00 C ATOM 601 OD1 ASP A 37 5.766 -10.824 1.970 1.00 1.00 O ATOM 602 OD2 ASP A 37 5.698 -12.859 1.167 1.00 1.00 O ATOM 0 H ASP A 37 6.090 -8.923 0.611 1.00 1.00 H new ATOM 0 HA ASP A 37 8.522 -10.504 1.129 1.00 1.00 H new ATOM 0 HB2 ASP A 37 6.189 -10.853 -0.848 1.00 1.00 H new ATOM 0 HB3 ASP A 37 7.388 -12.079 -0.487 1.00 1.00 H new ATOM 607 N ASP A 38 8.403 -8.517 -1.308 1.00 1.00 N ATOM 608 CA ASP A 38 9.147 -8.019 -2.491 1.00 1.00 C ATOM 609 C ASP A 38 9.229 -6.487 -2.453 1.00 1.00 C ATOM 610 O ASP A 38 8.419 -5.811 -3.057 1.00 1.00 O ATOM 611 CB ASP A 38 8.375 -8.442 -3.751 1.00 1.00 C ATOM 612 CG ASP A 38 9.001 -9.721 -4.310 1.00 1.00 C ATOM 613 OD1 ASP A 38 8.799 -10.744 -3.678 1.00 1.00 O ATOM 614 OD2 ASP A 38 9.649 -9.603 -5.337 1.00 1.00 O ATOM 0 H ASP A 38 7.723 -7.867 -0.914 1.00 1.00 H new ATOM 0 HA ASP A 38 10.156 -8.430 -2.494 1.00 1.00 H new ATOM 0 HB2 ASP A 38 7.325 -8.610 -3.511 1.00 1.00 H new ATOM 0 HB3 ASP A 38 8.408 -7.649 -4.498 1.00 1.00 H new ATOM 619 N PRO A 39 10.203 -5.957 -1.725 1.00 1.00 N ATOM 620 CA PRO A 39 10.363 -4.508 -1.618 1.00 1.00 C ATOM 621 C PRO A 39 10.745 -3.854 -2.966 1.00 1.00 C ATOM 622 O PRO A 39 11.449 -2.864 -2.996 1.00 1.00 O ATOM 623 CB PRO A 39 11.508 -4.314 -0.595 1.00 1.00 C ATOM 624 CG PRO A 39 11.938 -5.724 -0.102 1.00 1.00 C ATOM 625 CD PRO A 39 11.172 -6.751 -0.943 1.00 1.00 C ATOM 0 HA PRO A 39 9.428 -4.036 -1.315 1.00 1.00 H new ATOM 0 HB2 PRO A 39 12.349 -3.796 -1.055 1.00 1.00 H new ATOM 0 HB3 PRO A 39 11.175 -3.700 0.242 1.00 1.00 H new ATOM 0 HG2 PRO A 39 13.014 -5.860 -0.215 1.00 1.00 H new ATOM 0 HG3 PRO A 39 11.711 -5.847 0.957 1.00 1.00 H new ATOM 0 HD2 PRO A 39 11.845 -7.307 -1.596 1.00 1.00 H new ATOM 0 HD3 PRO A 39 10.666 -7.480 -0.311 1.00 1.00 H new ATOM 633 N SER A 40 10.263 -4.415 -4.051 1.00 1.00 N ATOM 634 CA SER A 40 10.591 -3.842 -5.388 1.00 1.00 C ATOM 635 C SER A 40 9.568 -2.783 -5.847 1.00 1.00 C ATOM 636 O SER A 40 9.811 -1.599 -5.732 1.00 1.00 O ATOM 637 CB SER A 40 10.601 -4.998 -6.396 1.00 1.00 C ATOM 638 OG SER A 40 11.150 -4.433 -7.575 1.00 1.00 O ATOM 0 H SER A 40 9.661 -5.239 -4.065 1.00 1.00 H new ATOM 0 HA SER A 40 11.558 -3.344 -5.324 1.00 1.00 H new ATOM 0 HB2 SER A 40 11.204 -5.833 -6.038 1.00 1.00 H new ATOM 0 HB3 SER A 40 9.596 -5.382 -6.570 1.00 1.00 H new ATOM 0 HG SER A 40 10.436 -4.281 -8.228 1.00 1.00 H new ATOM 644 N GLN A 41 8.441 -3.233 -6.365 1.00 1.00 N ATOM 645 CA GLN A 41 7.400 -2.264 -6.840 1.00 1.00 C ATOM 646 C GLN A 41 6.583 -1.714 -5.673 1.00 1.00 C ATOM 647 O GLN A 41 5.580 -1.055 -5.860 1.00 1.00 O ATOM 648 CB GLN A 41 6.448 -3.014 -7.790 1.00 1.00 C ATOM 649 CG GLN A 41 6.931 -2.852 -9.234 1.00 1.00 C ATOM 650 CD GLN A 41 8.297 -3.523 -9.389 1.00 1.00 C ATOM 651 OE1 GLN A 41 9.247 -3.187 -8.710 1.00 1.00 O ATOM 652 NE2 GLN A 41 8.436 -4.478 -10.268 1.00 1.00 N ATOM 0 H GLN A 41 8.203 -4.218 -6.477 1.00 1.00 H new ATOM 0 HA GLN A 41 7.894 -1.431 -7.340 1.00 1.00 H new ATOM 0 HB2 GLN A 41 6.411 -4.071 -7.525 1.00 1.00 H new ATOM 0 HB3 GLN A 41 5.435 -2.624 -7.689 1.00 1.00 H new ATOM 0 HG2 GLN A 41 6.213 -3.299 -9.922 1.00 1.00 H new ATOM 0 HG3 GLN A 41 7.001 -1.795 -9.490 1.00 1.00 H new ATOM 0 HE21 GLN A 41 7.642 -4.764 -10.840 1.00 1.00 H new ATOM 0 HE22 GLN A 41 9.339 -4.938 -10.382 1.00 1.00 H new ATOM 661 N SER A 42 7.040 -1.994 -4.501 1.00 1.00 N ATOM 662 CA SER A 42 6.338 -1.522 -3.281 1.00 1.00 C ATOM 663 C SER A 42 5.951 -0.049 -3.347 1.00 1.00 C ATOM 664 O SER A 42 4.928 0.351 -2.829 1.00 1.00 O ATOM 665 CB SER A 42 7.308 -1.693 -2.151 1.00 1.00 C ATOM 666 OG SER A 42 8.080 -2.803 -2.568 1.00 1.00 O ATOM 0 H SER A 42 7.884 -2.539 -4.326 1.00 1.00 H new ATOM 0 HA SER A 42 5.416 -2.091 -3.163 1.00 1.00 H new ATOM 0 HB2 SER A 42 7.922 -0.804 -2.007 1.00 1.00 H new ATOM 0 HB3 SER A 42 6.799 -1.886 -1.206 1.00 1.00 H new ATOM 0 HG SER A 42 7.486 -3.549 -2.793 1.00 1.00 H new ATOM 672 N ALA A 43 6.780 0.736 -3.955 1.00 1.00 N ATOM 673 CA ALA A 43 6.463 2.177 -4.048 1.00 1.00 C ATOM 674 C ALA A 43 5.279 2.414 -4.977 1.00 1.00 C ATOM 675 O ALA A 43 4.280 3.026 -4.604 1.00 1.00 O ATOM 676 CB ALA A 43 7.701 2.889 -4.599 1.00 1.00 C ATOM 0 H ALA A 43 7.657 0.447 -4.389 1.00 1.00 H new ATOM 0 HA ALA A 43 6.196 2.561 -3.064 1.00 1.00 H new ATOM 0 HB1 ALA A 43 7.500 3.957 -4.680 1.00 1.00 H new ATOM 0 HB2 ALA A 43 8.543 2.728 -3.926 1.00 1.00 H new ATOM 0 HB3 ALA A 43 7.943 2.489 -5.584 1.00 1.00 H new ATOM 682 N ASN A 44 5.397 1.939 -6.164 1.00 1.00 N ATOM 683 CA ASN A 44 4.293 2.127 -7.101 1.00 1.00 C ATOM 684 C ASN A 44 3.020 1.536 -6.497 1.00 1.00 C ATOM 685 O ASN A 44 1.937 2.046 -6.700 1.00 1.00 O ATOM 686 CB ASN A 44 4.667 1.416 -8.394 1.00 1.00 C ATOM 687 CG ASN A 44 3.418 0.806 -9.034 1.00 1.00 C ATOM 688 OD1 ASN A 44 2.415 1.467 -9.221 1.00 1.00 O ATOM 689 ND2 ASN A 44 3.437 -0.452 -9.384 1.00 1.00 N ATOM 0 H ASN A 44 6.206 1.432 -6.523 1.00 1.00 H new ATOM 0 HA ASN A 44 4.112 3.183 -7.303 1.00 1.00 H new ATOM 0 HB2 ASN A 44 5.133 2.119 -9.084 1.00 1.00 H new ATOM 0 HB3 ASN A 44 5.400 0.635 -8.191 1.00 1.00 H new ATOM 0 HD21 ASN A 44 2.613 -0.875 -9.812 1.00 1.00 H new ATOM 0 HD22 ASN A 44 4.276 -1.012 -9.230 1.00 1.00 H new ATOM 696 N LEU A 45 3.181 0.463 -5.752 1.00 1.00 N ATOM 697 CA LEU A 45 2.007 -0.171 -5.109 1.00 1.00 C ATOM 698 C LEU A 45 1.327 0.853 -4.234 1.00 1.00 C ATOM 699 O LEU A 45 0.121 0.994 -4.254 1.00 1.00 O ATOM 700 CB LEU A 45 2.514 -1.325 -4.217 1.00 1.00 C ATOM 701 CG LEU A 45 2.436 -2.667 -4.948 1.00 1.00 C ATOM 702 CD1 LEU A 45 2.780 -2.538 -6.442 1.00 1.00 C ATOM 703 CD2 LEU A 45 3.435 -3.620 -4.327 1.00 1.00 C ATOM 0 H LEU A 45 4.076 0.009 -5.569 1.00 1.00 H new ATOM 0 HA LEU A 45 1.311 -0.544 -5.860 1.00 1.00 H new ATOM 0 HB2 LEU A 45 3.544 -1.131 -3.918 1.00 1.00 H new ATOM 0 HB3 LEU A 45 1.920 -1.370 -3.304 1.00 1.00 H new ATOM 0 HG LEU A 45 1.412 -3.030 -4.857 1.00 1.00 H new ATOM 0 HD11 LEU A 45 2.711 -3.517 -6.917 1.00 1.00 H new ATOM 0 HD12 LEU A 45 2.079 -1.853 -6.919 1.00 1.00 H new ATOM 0 HD13 LEU A 45 3.794 -2.153 -6.550 1.00 1.00 H new ATOM 0 HD21 LEU A 45 3.389 -4.581 -4.840 1.00 1.00 H new ATOM 0 HD22 LEU A 45 4.439 -3.207 -4.421 1.00 1.00 H new ATOM 0 HD23 LEU A 45 3.197 -3.760 -3.272 1.00 1.00 H new ATOM 715 N LEU A 46 2.119 1.551 -3.468 1.00 1.00 N ATOM 716 CA LEU A 46 1.562 2.567 -2.599 1.00 1.00 C ATOM 717 C LEU A 46 0.575 3.417 -3.376 1.00 1.00 C ATOM 718 O LEU A 46 -0.565 3.549 -2.995 1.00 1.00 O ATOM 719 CB LEU A 46 2.743 3.446 -2.148 1.00 1.00 C ATOM 720 CG LEU A 46 2.736 3.696 -0.657 1.00 1.00 C ATOM 721 CD1 LEU A 46 1.352 4.158 -0.168 1.00 1.00 C ATOM 722 CD2 LEU A 46 3.181 2.425 0.088 1.00 1.00 C ATOM 0 H LEU A 46 3.132 1.444 -3.422 1.00 1.00 H new ATOM 0 HA LEU A 46 1.043 2.122 -1.750 1.00 1.00 H new ATOM 0 HB2 LEU A 46 3.680 2.964 -2.429 1.00 1.00 H new ATOM 0 HB3 LEU A 46 2.705 4.400 -2.674 1.00 1.00 H new ATOM 0 HG LEU A 46 3.440 4.500 -0.443 1.00 1.00 H new ATOM 0 HD11 LEU A 46 1.384 4.328 0.908 1.00 1.00 H new ATOM 0 HD12 LEU A 46 1.078 5.084 -0.674 1.00 1.00 H new ATOM 0 HD13 LEU A 46 0.612 3.390 -0.392 1.00 1.00 H new ATOM 0 HD21 LEU A 46 3.174 2.611 1.162 1.00 1.00 H new ATOM 0 HD22 LEU A 46 2.496 1.609 -0.143 1.00 1.00 H new ATOM 0 HD23 LEU A 46 4.189 2.153 -0.226 1.00 1.00 H new ATOM 734 N ALA A 47 1.024 3.962 -4.463 1.00 1.00 N ATOM 735 CA ALA A 47 0.108 4.814 -5.270 1.00 1.00 C ATOM 736 C ALA A 47 -1.195 4.081 -5.610 1.00 1.00 C ATOM 737 O ALA A 47 -2.274 4.491 -5.211 1.00 1.00 O ATOM 738 CB ALA A 47 0.819 5.175 -6.580 1.00 1.00 C ATOM 0 H ALA A 47 1.971 3.860 -4.828 1.00 1.00 H new ATOM 0 HA ALA A 47 -0.141 5.702 -4.689 1.00 1.00 H new ATOM 0 HB1 ALA A 47 0.165 5.800 -7.188 1.00 1.00 H new ATOM 0 HB2 ALA A 47 1.737 5.719 -6.358 1.00 1.00 H new ATOM 0 HB3 ALA A 47 1.060 4.263 -7.126 1.00 1.00 H new ATOM 744 N GLU A 48 -1.065 3.010 -6.336 1.00 1.00 N ATOM 745 CA GLU A 48 -2.269 2.225 -6.731 1.00 1.00 C ATOM 746 C GLU A 48 -3.200 1.927 -5.549 1.00 1.00 C ATOM 747 O GLU A 48 -4.405 1.975 -5.691 1.00 1.00 O ATOM 748 CB GLU A 48 -1.789 0.896 -7.327 1.00 1.00 C ATOM 749 CG GLU A 48 -0.928 1.189 -8.559 1.00 1.00 C ATOM 750 CD GLU A 48 -1.518 0.472 -9.774 1.00 1.00 C ATOM 751 OE1 GLU A 48 -2.405 1.060 -10.373 1.00 1.00 O ATOM 752 OE2 GLU A 48 -1.050 -0.624 -10.035 1.00 1.00 O ATOM 0 H GLU A 48 -0.176 2.641 -6.675 1.00 1.00 H new ATOM 0 HA GLU A 48 -2.838 2.817 -7.448 1.00 1.00 H new ATOM 0 HB2 GLU A 48 -1.214 0.337 -6.589 1.00 1.00 H new ATOM 0 HB3 GLU A 48 -2.642 0.276 -7.602 1.00 1.00 H new ATOM 0 HG2 GLU A 48 -0.888 2.263 -8.741 1.00 1.00 H new ATOM 0 HG3 GLU A 48 0.096 0.856 -8.388 1.00 1.00 H new ATOM 759 N ALA A 49 -2.639 1.627 -4.408 1.00 1.00 N ATOM 760 CA ALA A 49 -3.508 1.323 -3.231 1.00 1.00 C ATOM 761 C ALA A 49 -4.384 2.510 -2.856 1.00 1.00 C ATOM 762 O ALA A 49 -5.597 2.414 -2.863 1.00 1.00 O ATOM 763 CB ALA A 49 -2.617 0.987 -2.033 1.00 1.00 C ATOM 0 H ALA A 49 -1.634 1.579 -4.239 1.00 1.00 H new ATOM 0 HA ALA A 49 -4.153 0.485 -3.496 1.00 1.00 H new ATOM 0 HB1 ALA A 49 -3.240 0.763 -1.167 1.00 1.00 H new ATOM 0 HB2 ALA A 49 -2.000 0.120 -2.270 1.00 1.00 H new ATOM 0 HB3 ALA A 49 -1.975 1.838 -1.807 1.00 1.00 H new ATOM 769 N LYS A 50 -3.755 3.606 -2.524 1.00 1.00 N ATOM 770 CA LYS A 50 -4.544 4.805 -2.143 1.00 1.00 C ATOM 771 C LYS A 50 -5.695 5.004 -3.118 1.00 1.00 C ATOM 772 O LYS A 50 -6.754 5.465 -2.745 1.00 1.00 O ATOM 773 CB LYS A 50 -3.631 6.049 -2.178 1.00 1.00 C ATOM 774 CG LYS A 50 -2.353 5.794 -1.350 1.00 1.00 C ATOM 775 CD LYS A 50 -2.689 5.732 0.149 1.00 1.00 C ATOM 776 CE LYS A 50 -2.366 4.327 0.688 1.00 1.00 C ATOM 777 NZ LYS A 50 -2.881 4.181 2.080 1.00 1.00 N ATOM 0 H LYS A 50 -2.742 3.719 -2.501 1.00 1.00 H new ATOM 0 HA LYS A 50 -4.944 4.664 -1.139 1.00 1.00 H new ATOM 0 HB2 LYS A 50 -3.365 6.285 -3.208 1.00 1.00 H new ATOM 0 HB3 LYS A 50 -4.165 6.912 -1.781 1.00 1.00 H new ATOM 0 HG2 LYS A 50 -1.889 4.859 -1.664 1.00 1.00 H new ATOM 0 HG3 LYS A 50 -1.628 6.587 -1.534 1.00 1.00 H new ATOM 0 HD2 LYS A 50 -2.116 6.483 0.693 1.00 1.00 H new ATOM 0 HD3 LYS A 50 -3.743 5.960 0.306 1.00 1.00 H new ATOM 0 HE2 LYS A 50 -2.815 3.570 0.045 1.00 1.00 H new ATOM 0 HE3 LYS A 50 -1.289 4.161 0.671 1.00 1.00 H new ATOM 0 HZ1 LYS A 50 -2.084 4.195 2.748 1.00 1.00 H new ATOM 0 HZ2 LYS A 50 -3.527 4.967 2.295 1.00 1.00 H new ATOM 0 HZ3 LYS A 50 -3.391 3.279 2.169 1.00 1.00 H new ATOM 791 N LYS A 51 -5.464 4.655 -4.355 1.00 1.00 N ATOM 792 CA LYS A 51 -6.543 4.809 -5.365 1.00 1.00 C ATOM 793 C LYS A 51 -7.652 3.792 -5.100 1.00 1.00 C ATOM 794 O LYS A 51 -8.821 4.132 -5.032 1.00 1.00 O ATOM 795 CB LYS A 51 -5.946 4.533 -6.753 1.00 1.00 C ATOM 796 CG LYS A 51 -6.229 5.721 -7.676 1.00 1.00 C ATOM 797 CD LYS A 51 -5.596 5.446 -9.041 1.00 1.00 C ATOM 798 CE LYS A 51 -5.851 6.638 -9.964 1.00 1.00 C ATOM 799 NZ LYS A 51 -6.661 6.219 -11.139 1.00 1.00 N ATOM 0 H LYS A 51 -4.585 4.274 -4.704 1.00 1.00 H new ATOM 0 HA LYS A 51 -6.956 5.816 -5.311 1.00 1.00 H new ATOM 0 HB2 LYS A 51 -4.871 4.369 -6.672 1.00 1.00 H new ATOM 0 HB3 LYS A 51 -6.376 3.623 -7.171 1.00 1.00 H new ATOM 0 HG2 LYS A 51 -7.304 5.870 -7.781 1.00 1.00 H new ATOM 0 HG3 LYS A 51 -5.821 6.637 -7.248 1.00 1.00 H new ATOM 0 HD2 LYS A 51 -4.525 5.279 -8.931 1.00 1.00 H new ATOM 0 HD3 LYS A 51 -6.017 4.539 -9.474 1.00 1.00 H new ATOM 0 HE2 LYS A 51 -6.371 7.425 -9.417 1.00 1.00 H new ATOM 0 HE3 LYS A 51 -4.902 7.056 -10.299 1.00 1.00 H new ATOM 0 HZ1 LYS A 51 -6.826 7.039 -11.757 1.00 1.00 H new ATOM 0 HZ2 LYS A 51 -6.150 5.484 -11.668 1.00 1.00 H new ATOM 0 HZ3 LYS A 51 -7.574 5.841 -10.814 1.00 1.00 H new ATOM 813 N LEU A 52 -7.253 2.556 -4.952 1.00 1.00 N ATOM 814 CA LEU A 52 -8.245 1.486 -4.688 1.00 1.00 C ATOM 815 C LEU A 52 -9.054 1.810 -3.419 1.00 1.00 C ATOM 816 O LEU A 52 -10.074 1.207 -3.158 1.00 1.00 O ATOM 817 CB LEU A 52 -7.458 0.152 -4.521 1.00 1.00 C ATOM 818 CG LEU A 52 -8.393 -0.974 -4.012 1.00 1.00 C ATOM 819 CD1 LEU A 52 -8.023 -2.330 -4.646 1.00 1.00 C ATOM 820 CD2 LEU A 52 -8.234 -1.108 -2.506 1.00 1.00 C ATOM 0 H LEU A 52 -6.282 2.247 -5.003 1.00 1.00 H new ATOM 0 HA LEU A 52 -8.954 1.403 -5.512 1.00 1.00 H new ATOM 0 HB2 LEU A 52 -7.017 -0.138 -5.475 1.00 1.00 H new ATOM 0 HB3 LEU A 52 -6.636 0.294 -3.820 1.00 1.00 H new ATOM 0 HG LEU A 52 -9.416 -0.714 -4.283 1.00 1.00 H new ATOM 0 HD11 LEU A 52 -8.695 -3.102 -4.271 1.00 1.00 H new ATOM 0 HD12 LEU A 52 -8.116 -2.262 -5.730 1.00 1.00 H new ATOM 0 HD13 LEU A 52 -6.996 -2.585 -4.386 1.00 1.00 H new ATOM 0 HD21 LEU A 52 -8.889 -1.899 -2.140 1.00 1.00 H new ATOM 0 HD22 LEU A 52 -7.199 -1.356 -2.270 1.00 1.00 H new ATOM 0 HD23 LEU A 52 -8.500 -0.166 -2.027 1.00 1.00 H new ATOM 832 N ASN A 53 -8.586 2.777 -2.660 1.00 1.00 N ATOM 833 CA ASN A 53 -9.311 3.156 -1.416 1.00 1.00 C ATOM 834 C ASN A 53 -10.633 3.843 -1.749 1.00 1.00 C ATOM 835 O ASN A 53 -11.694 3.342 -1.435 1.00 1.00 O ATOM 836 CB ASN A 53 -8.430 4.141 -0.638 1.00 1.00 C ATOM 837 CG ASN A 53 -8.983 4.347 0.773 1.00 1.00 C ATOM 838 OD1 ASN A 53 -10.016 3.669 1.138 1.00 1.00 O flip ATOM 839 ND2 ASN A 53 -8.478 5.138 1.544 1.00 1.00 N flip ATOM 0 H ASN A 53 -7.739 3.312 -2.852 1.00 1.00 H new ATOM 0 HA ASN A 53 -9.520 2.260 -0.832 1.00 1.00 H new ATOM 0 HB2 ASN A 53 -7.409 3.762 -0.584 1.00 1.00 H new ATOM 0 HB3 ASN A 53 -8.389 5.095 -1.163 1.00 1.00 H new ATOM 0 HD21 ASN A 53 -7.660 5.677 1.259 1.00 1.00 H new ATOM 0 HD22 ASN A 53 -8.872 5.264 2.477 1.00 1.00 H new ATOM 846 N ASP A 54 -10.540 4.982 -2.381 1.00 1.00 N ATOM 847 CA ASP A 54 -11.774 5.722 -2.745 1.00 1.00 C ATOM 848 C ASP A 54 -12.684 4.872 -3.621 1.00 1.00 C ATOM 849 O ASP A 54 -13.892 4.925 -3.501 1.00 1.00 O ATOM 850 CB ASP A 54 -11.367 6.975 -3.535 1.00 1.00 C ATOM 851 CG ASP A 54 -12.520 7.983 -3.525 1.00 1.00 C ATOM 852 OD1 ASP A 54 -13.609 7.563 -3.879 1.00 1.00 O ATOM 853 OD2 ASP A 54 -12.244 9.117 -3.168 1.00 1.00 O ATOM 0 H ASP A 54 -9.665 5.427 -2.658 1.00 1.00 H new ATOM 0 HA ASP A 54 -12.312 5.982 -1.834 1.00 1.00 H new ATOM 0 HB2 ASP A 54 -10.476 7.422 -3.095 1.00 1.00 H new ATOM 0 HB3 ASP A 54 -11.115 6.705 -4.561 1.00 1.00 H new ATOM 858 N ALA A 55 -12.089 4.098 -4.486 1.00 1.00 N ATOM 859 CA ALA A 55 -12.910 3.242 -5.380 1.00 1.00 C ATOM 860 C ALA A 55 -13.902 2.394 -4.583 1.00 1.00 C ATOM 861 O ALA A 55 -14.737 1.720 -5.153 1.00 1.00 O ATOM 862 CB ALA A 55 -11.969 2.312 -6.155 1.00 1.00 C ATOM 0 H ALA A 55 -11.079 4.023 -4.610 1.00 1.00 H new ATOM 0 HA ALA A 55 -13.477 3.882 -6.056 1.00 1.00 H new ATOM 0 HB1 ALA A 55 -12.553 1.674 -6.818 1.00 1.00 H new ATOM 0 HB2 ALA A 55 -11.273 2.908 -6.745 1.00 1.00 H new ATOM 0 HB3 ALA A 55 -11.411 1.692 -5.453 1.00 1.00 H new ATOM 868 N GLN A 56 -13.797 2.443 -3.278 1.00 1.00 N ATOM 869 CA GLN A 56 -14.735 1.640 -2.444 1.00 1.00 C ATOM 870 C GLN A 56 -15.030 2.329 -1.112 1.00 1.00 C ATOM 871 O GLN A 56 -15.682 1.765 -0.255 1.00 1.00 O ATOM 872 CB GLN A 56 -14.088 0.277 -2.154 1.00 1.00 C ATOM 873 CG GLN A 56 -14.681 -0.773 -3.098 1.00 1.00 C ATOM 874 CD GLN A 56 -16.111 -1.103 -2.661 1.00 1.00 C ATOM 875 OE1 GLN A 56 -16.644 -0.431 -1.678 1.00 1.00 O flip ATOM 876 NE2 GLN A 56 -16.754 -1.976 -3.209 1.00 1.00 N flip ATOM 0 H GLN A 56 -13.112 2.996 -2.763 1.00 1.00 H new ATOM 0 HA GLN A 56 -15.671 1.528 -2.991 1.00 1.00 H new ATOM 0 HB2 GLN A 56 -13.008 0.337 -2.290 1.00 1.00 H new ATOM 0 HB3 GLN A 56 -14.263 -0.009 -1.117 1.00 1.00 H new ATOM 0 HG2 GLN A 56 -14.679 -0.399 -4.122 1.00 1.00 H new ATOM 0 HG3 GLN A 56 -14.069 -1.675 -3.087 1.00 1.00 H new ATOM 0 HE21 GLN A 56 -16.343 -2.505 -3.978 1.00 1.00 H new ATOM 0 HE22 GLN A 56 -17.704 -2.180 -2.900 1.00 1.00 H new ATOM 885 N ALA A 57 -14.551 3.535 -0.956 1.00 1.00 N ATOM 886 CA ALA A 57 -14.805 4.252 0.317 1.00 1.00 C ATOM 887 C ALA A 57 -16.117 5.074 0.223 1.00 1.00 C ATOM 888 O ALA A 57 -16.382 5.673 -0.800 1.00 1.00 O ATOM 889 CB ALA A 57 -13.638 5.222 0.559 1.00 1.00 C ATOM 0 H ALA A 57 -14.002 4.045 -1.648 1.00 1.00 H new ATOM 0 HA ALA A 57 -14.895 3.530 1.128 1.00 1.00 H new ATOM 0 HB1 ALA A 57 -13.802 5.763 1.491 1.00 1.00 H new ATOM 0 HB2 ALA A 57 -12.706 4.661 0.624 1.00 1.00 H new ATOM 0 HB3 ALA A 57 -13.578 5.932 -0.266 1.00 1.00 H new