USER MOD reduce.3.24.130724 H: found=0, std=0, add=410, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 408 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 7 GLN : amide:sc= 0.382 X(o=1.4,f=1.1) USER MOD Set 1.2: A 39 SER OG : rot 69:sc= 1 USER MOD Set 2.1: A 37 SER OG : rot 86:sc= 0.692 USER MOD Set 2.2: A 38 GLN : amide:sc= 0.59 X(o=1.3,f=1.6) USER MOD Set 3.1: A 30 GLN : amide:sc= 0.0945 K(o=0.41,f=-1.1) USER MOD Set 3.2: A 33 LYS NZ :NH3+ -161:sc= 0.312 (180deg=0) USER MOD Set 4.1: A 3 HIS : no HD1:sc= 0 X(o=1.2,f=0.85) USER MOD Set 4.2: A 8 GLN : amide:sc= 0.609 K(o=1.2,f=0.51) USER MOD Set 4.3: A 12 TYR OH : rot 30:sc= 0.544 USER MOD Single : A 1 ALA N :NH3+ -162:sc= 0.396 (180deg=0.0624) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 ASN : amide:sc= 0.498 K(o=0.5,f=-1.8) USER MOD Single : A 13 GLN : amide:sc= -0.145 X(o=-0.15,f=0) USER MOD Single : A 16 ASN : amide:sc= 0.88 K(o=0.88,f=0) USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= 0.517 K(o=0.52,f=-0.51) USER MOD Single : A 21 ASN : amide:sc= -0.0376 K(o=-0.038,f=-0.99) USER MOD Single : A 24 GLN : amide:sc= -0.176 X(o=-0.18,f=-0.063) USER MOD Single : A 26 ASN : amide:sc= -0.695 X(o=-0.7,f=-0.21) USER MOD Single : A 31 SER OG : rot 70:sc= 0.819 USER MOD Single : A 41 ASN : amide:sc= 0.209 X(o=0.21,f=0) USER MOD Single : A 47 GLN : amide:sc= 0.266 X(o=0.27,f=-0.087) USER MOD Single : A 48 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0202) USER MOD Single : A 50 ASN : amide:sc= 0.395 K(o=0.4,f=-3.6!) USER MOD Single : A 52 SER OG : rot -27:sc= 0.914 USER MOD Single : A 53 GLN : amide:sc= -0.0199 K(o=-0.02,f=-1.2) USER MOD Single : A 56 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0222) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -5.882 12.169 -10.070 1.00 0.00 N ATOM 2 CA ALA A 1 -7.061 12.879 -10.595 1.00 0.00 C ATOM 3 C ALA A 1 -7.722 13.748 -9.526 1.00 0.00 C ATOM 4 O ALA A 1 -7.642 13.430 -8.341 1.00 0.00 O ATOM 5 CB ALA A 1 -8.070 11.889 -11.183 1.00 0.00 C ATOM 0 H1 ALA A 1 -5.292 11.843 -10.862 1.00 0.00 H new ATOM 0 H2 ALA A 1 -5.329 12.812 -9.468 1.00 0.00 H new ATOM 0 H3 ALA A 1 -6.191 11.350 -9.509 1.00 0.00 H new ATOM 0 HA ALA A 1 -6.717 13.541 -11.389 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -8.933 12.433 -11.565 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -7.603 11.333 -11.996 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -8.393 11.195 -10.407 1.00 0.00 H new ATOM 13 N GLN A 2 -8.369 14.841 -9.958 1.00 0.00 N ATOM 14 CA GLN A 2 -9.060 15.827 -9.130 1.00 0.00 C ATOM 15 C GLN A 2 -8.072 16.720 -8.373 1.00 0.00 C ATOM 16 O GLN A 2 -8.072 17.935 -8.560 1.00 0.00 O ATOM 17 CB GLN A 2 -10.101 15.167 -8.209 1.00 0.00 C ATOM 18 CG GLN A 2 -11.021 16.215 -7.570 1.00 0.00 C ATOM 19 CD GLN A 2 -12.041 15.569 -6.636 1.00 0.00 C ATOM 20 OE1 GLN A 2 -11.985 15.759 -5.423 1.00 0.00 O ATOM 21 NE2 GLN A 2 -12.980 14.804 -7.196 1.00 0.00 N ATOM 0 H GLN A 2 -8.424 15.068 -10.951 1.00 0.00 H new ATOM 0 HA GLN A 2 -9.618 16.486 -9.795 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -10.697 14.456 -8.781 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -9.593 14.601 -7.428 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -10.422 16.936 -7.013 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -11.541 16.769 -8.351 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -12.993 14.671 -8.207 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -13.685 14.353 -6.613 1.00 0.00 H new ATOM 30 N HIS A 3 -7.237 16.116 -7.522 1.00 0.00 N ATOM 31 CA HIS A 3 -6.214 16.785 -6.732 1.00 0.00 C ATOM 32 C HIS A 3 -5.046 15.815 -6.522 1.00 0.00 C ATOM 33 O HIS A 3 -4.980 14.774 -7.177 1.00 0.00 O ATOM 34 CB HIS A 3 -6.828 17.252 -5.403 1.00 0.00 C ATOM 35 CG HIS A 3 -7.263 16.117 -4.508 1.00 0.00 C ATOM 36 ND1 HIS A 3 -6.462 15.618 -3.491 1.00 0.00 N ATOM 37 CD2 HIS A 3 -8.405 15.354 -4.474 1.00 0.00 C ATOM 38 CE1 HIS A 3 -7.132 14.607 -2.915 1.00 0.00 C ATOM 39 NE2 HIS A 3 -8.327 14.396 -3.469 1.00 0.00 N ATOM 0 H HIS A 3 -7.261 15.109 -7.363 1.00 0.00 H new ATOM 0 HA HIS A 3 -5.833 17.668 -7.246 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -6.100 17.865 -4.871 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -7.688 17.888 -5.613 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -9.248 15.481 -5.137 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -6.745 14.026 -2.091 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -9.022 13.695 -3.214 1.00 0.00 H new ATOM 47 N ASP A 4 -4.135 16.143 -5.597 1.00 0.00 N ATOM 48 CA ASP A 4 -3.072 15.244 -5.173 1.00 0.00 C ATOM 49 C ASP A 4 -3.664 14.145 -4.286 1.00 0.00 C ATOM 50 O ASP A 4 -3.549 14.191 -3.063 1.00 0.00 O ATOM 51 CB ASP A 4 -1.974 16.041 -4.454 1.00 0.00 C ATOM 52 CG ASP A 4 -0.835 15.140 -3.974 1.00 0.00 C ATOM 53 OD1 ASP A 4 -0.319 14.375 -4.817 1.00 0.00 O ATOM 54 OD2 ASP A 4 -0.503 15.230 -2.773 1.00 0.00 O ATOM 0 H ASP A 4 -4.121 17.046 -5.123 1.00 0.00 H new ATOM 0 HA ASP A 4 -2.612 14.765 -6.037 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -1.577 16.800 -5.128 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -2.406 16.566 -3.602 1.00 0.00 H new ATOM 59 N GLU A 5 -4.299 13.153 -4.919 1.00 0.00 N ATOM 60 CA GLU A 5 -4.872 11.981 -4.268 1.00 0.00 C ATOM 61 C GLU A 5 -3.847 10.842 -4.180 1.00 0.00 C ATOM 62 O GLU A 5 -4.220 9.671 -4.209 1.00 0.00 O ATOM 63 CB GLU A 5 -6.153 11.563 -5.009 1.00 0.00 C ATOM 64 CG GLU A 5 -5.909 11.238 -6.491 1.00 0.00 C ATOM 65 CD GLU A 5 -7.123 10.598 -7.161 1.00 0.00 C ATOM 66 OE1 GLU A 5 -8.244 10.779 -6.638 1.00 0.00 O ATOM 67 OE2 GLU A 5 -6.904 9.939 -8.201 1.00 0.00 O ATOM 0 H GLU A 5 -4.430 13.148 -5.931 1.00 0.00 H new ATOM 0 HA GLU A 5 -5.141 12.229 -3.241 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -6.583 10.690 -4.517 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -6.888 12.365 -4.934 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -5.647 12.154 -7.021 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -5.056 10.565 -6.576 1.00 0.00 H new ATOM 74 N ALA A 6 -2.554 11.175 -4.068 1.00 0.00 N ATOM 75 CA ALA A 6 -1.470 10.204 -4.012 1.00 0.00 C ATOM 76 C ALA A 6 -1.625 9.279 -2.805 1.00 0.00 C ATOM 77 O ALA A 6 -1.501 8.063 -2.939 1.00 0.00 O ATOM 78 CB ALA A 6 -0.129 10.941 -3.964 1.00 0.00 C ATOM 0 H ALA A 6 -2.235 12.142 -4.014 1.00 0.00 H new ATOM 0 HA ALA A 6 -1.505 9.583 -4.907 1.00 0.00 H new ATOM 0 HB1 ALA A 6 0.684 10.216 -3.922 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -0.020 11.557 -4.857 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -0.094 11.576 -3.079 1.00 0.00 H new ATOM 84 N GLN A 7 -1.906 9.864 -1.635 1.00 0.00 N ATOM 85 CA GLN A 7 -2.087 9.147 -0.381 1.00 0.00 C ATOM 86 C GLN A 7 -3.230 8.136 -0.507 1.00 0.00 C ATOM 87 O GLN A 7 -3.068 6.966 -0.163 1.00 0.00 O ATOM 88 CB GLN A 7 -2.370 10.138 0.761 1.00 0.00 C ATOM 89 CG GLN A 7 -1.376 11.307 0.837 1.00 0.00 C ATOM 90 CD GLN A 7 0.074 10.838 0.863 1.00 0.00 C ATOM 91 OE1 GLN A 7 0.782 10.946 -0.135 1.00 0.00 O ATOM 92 NE2 GLN A 7 0.518 10.315 2.005 1.00 0.00 N ATOM 0 H GLN A 7 -2.015 10.874 -1.538 1.00 0.00 H new ATOM 0 HA GLN A 7 -1.170 8.605 -0.152 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -3.377 10.538 0.639 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -2.354 9.599 1.708 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -1.527 11.964 -0.019 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -1.580 11.896 1.731 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -0.105 10.244 2.810 1.00 0.00 H new ATOM 0 HE22 GLN A 7 1.481 9.985 2.075 1.00 0.00 H new ATOM 101 N GLN A 8 -4.380 8.604 -1.008 1.00 0.00 N ATOM 102 CA GLN A 8 -5.581 7.807 -1.202 1.00 0.00 C ATOM 103 C GLN A 8 -5.311 6.638 -2.146 1.00 0.00 C ATOM 104 O GLN A 8 -5.570 5.491 -1.794 1.00 0.00 O ATOM 105 CB GLN A 8 -6.696 8.695 -1.764 1.00 0.00 C ATOM 106 CG GLN A 8 -7.209 9.699 -0.727 1.00 0.00 C ATOM 107 CD GLN A 8 -8.308 10.578 -1.315 1.00 0.00 C ATOM 108 OE1 GLN A 8 -8.127 11.784 -1.461 1.00 0.00 O ATOM 109 NE2 GLN A 8 -9.453 9.980 -1.653 1.00 0.00 N ATOM 0 H GLN A 8 -4.496 9.576 -1.295 1.00 0.00 H new ATOM 0 HA GLN A 8 -5.891 7.398 -0.240 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -6.326 9.233 -2.637 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -7.522 8.069 -2.102 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -7.592 9.165 0.143 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -6.385 10.323 -0.381 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -9.564 8.975 -1.516 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -10.217 10.528 -2.048 1.00 0.00 H new ATOM 118 N ASN A 9 -4.795 6.931 -3.344 1.00 0.00 N ATOM 119 CA ASN A 9 -4.541 5.939 -4.376 1.00 0.00 C ATOM 120 C ASN A 9 -3.554 4.882 -3.881 1.00 0.00 C ATOM 121 O ASN A 9 -3.789 3.691 -4.073 1.00 0.00 O ATOM 122 CB ASN A 9 -4.027 6.632 -5.644 1.00 0.00 C ATOM 123 CG ASN A 9 -5.086 7.501 -6.326 1.00 0.00 C ATOM 124 OD1 ASN A 9 -6.163 7.741 -5.785 1.00 0.00 O ATOM 125 ND2 ASN A 9 -4.780 7.980 -7.533 1.00 0.00 N ATOM 0 H ASN A 9 -4.541 7.879 -3.621 1.00 0.00 H new ATOM 0 HA ASN A 9 -5.473 5.427 -4.615 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -3.167 7.251 -5.389 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -3.678 5.876 -6.348 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -5.449 8.564 -8.034 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -3.877 7.762 -7.954 1.00 0.00 H new ATOM 132 N ALA A 10 -2.457 5.309 -3.243 1.00 0.00 N ATOM 133 CA ALA A 10 -1.472 4.407 -2.664 1.00 0.00 C ATOM 134 C ALA A 10 -2.122 3.488 -1.628 1.00 0.00 C ATOM 135 O ALA A 10 -1.929 2.277 -1.679 1.00 0.00 O ATOM 136 CB ALA A 10 -0.323 5.213 -2.055 1.00 0.00 C ATOM 0 H ALA A 10 -2.233 6.296 -3.117 1.00 0.00 H new ATOM 0 HA ALA A 10 -1.065 3.773 -3.451 1.00 0.00 H new ATOM 0 HB1 ALA A 10 0.411 4.532 -1.623 1.00 0.00 H new ATOM 0 HB2 ALA A 10 0.152 5.813 -2.831 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -0.712 5.869 -1.276 1.00 0.00 H new ATOM 142 N PHE A 11 -2.901 4.060 -0.702 1.00 0.00 N ATOM 143 CA PHE A 11 -3.613 3.322 0.333 1.00 0.00 C ATOM 144 C PHE A 11 -4.532 2.253 -0.271 1.00 0.00 C ATOM 145 O PHE A 11 -4.485 1.097 0.150 1.00 0.00 O ATOM 146 CB PHE A 11 -4.385 4.318 1.209 1.00 0.00 C ATOM 147 CG PHE A 11 -5.245 3.700 2.292 1.00 0.00 C ATOM 148 CD1 PHE A 11 -4.648 2.960 3.329 1.00 0.00 C ATOM 149 CD2 PHE A 11 -6.634 3.932 2.310 1.00 0.00 C ATOM 150 CE1 PHE A 11 -5.438 2.447 4.373 1.00 0.00 C ATOM 151 CE2 PHE A 11 -7.420 3.430 3.360 1.00 0.00 C ATOM 152 CZ PHE A 11 -6.821 2.693 4.396 1.00 0.00 C ATOM 0 H PHE A 11 -3.053 5.068 -0.655 1.00 0.00 H new ATOM 0 HA PHE A 11 -2.896 2.787 0.956 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -3.670 4.994 1.678 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -5.022 4.925 0.565 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -3.582 2.786 3.323 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -7.096 4.497 1.514 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -4.981 1.863 5.158 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -8.485 3.610 3.371 1.00 0.00 H new ATOM 0 HZ PHE A 11 -7.423 2.316 5.209 1.00 0.00 H new ATOM 162 N TYR A 12 -5.352 2.632 -1.260 1.00 0.00 N ATOM 163 CA TYR A 12 -6.272 1.724 -1.937 1.00 0.00 C ATOM 164 C TYR A 12 -5.518 0.576 -2.610 1.00 0.00 C ATOM 165 O TYR A 12 -5.913 -0.580 -2.477 1.00 0.00 O ATOM 166 CB TYR A 12 -7.119 2.483 -2.969 1.00 0.00 C ATOM 167 CG TYR A 12 -7.908 3.684 -2.472 1.00 0.00 C ATOM 168 CD1 TYR A 12 -8.361 3.769 -1.139 1.00 0.00 C ATOM 169 CD2 TYR A 12 -8.208 4.725 -3.371 1.00 0.00 C ATOM 170 CE1 TYR A 12 -9.057 4.909 -0.701 1.00 0.00 C ATOM 171 CE2 TYR A 12 -8.912 5.859 -2.935 1.00 0.00 C ATOM 172 CZ TYR A 12 -9.322 5.960 -1.595 1.00 0.00 C ATOM 173 OH TYR A 12 -9.976 7.078 -1.164 1.00 0.00 O ATOM 0 H TYR A 12 -5.392 3.588 -1.612 1.00 0.00 H new ATOM 0 HA TYR A 12 -6.936 1.299 -1.184 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -6.457 2.820 -3.767 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -7.821 1.778 -3.414 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -8.173 2.956 -0.453 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -7.895 4.651 -4.402 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -9.389 4.977 0.325 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -9.138 6.654 -3.630 1.00 0.00 H new ATOM 0 HH TYR A 12 -9.777 7.228 -0.216 1.00 0.00 H new ATOM 183 N GLN A 13 -4.435 0.887 -3.328 1.00 0.00 N ATOM 184 CA GLN A 13 -3.620 -0.119 -3.992 1.00 0.00 C ATOM 185 C GLN A 13 -3.030 -1.099 -2.976 1.00 0.00 C ATOM 186 O GLN A 13 -3.161 -2.305 -3.164 1.00 0.00 O ATOM 187 CB GLN A 13 -2.527 0.557 -4.824 1.00 0.00 C ATOM 188 CG GLN A 13 -3.111 1.172 -6.101 1.00 0.00 C ATOM 189 CD GLN A 13 -2.079 2.034 -6.820 1.00 0.00 C ATOM 190 OE1 GLN A 13 -1.498 1.617 -7.818 1.00 0.00 O ATOM 191 NE2 GLN A 13 -1.852 3.244 -6.310 1.00 0.00 N ATOM 0 H GLN A 13 -4.104 1.843 -3.462 1.00 0.00 H new ATOM 0 HA GLN A 13 -4.252 -0.696 -4.668 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -2.041 1.332 -4.232 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -1.760 -0.172 -5.085 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -3.453 0.379 -6.766 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -3.983 1.777 -5.851 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -2.358 3.550 -5.479 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -1.173 3.864 -6.751 1.00 0.00 H new ATOM 200 N VAL A 14 -2.401 -0.593 -1.906 1.00 0.00 N ATOM 201 CA VAL A 14 -1.808 -1.410 -0.850 1.00 0.00 C ATOM 202 C VAL A 14 -2.851 -2.343 -0.220 1.00 0.00 C ATOM 203 O VAL A 14 -2.546 -3.510 0.024 1.00 0.00 O ATOM 204 CB VAL A 14 -1.110 -0.519 0.194 1.00 0.00 C ATOM 205 CG1 VAL A 14 -0.691 -1.325 1.430 1.00 0.00 C ATOM 206 CG2 VAL A 14 0.164 0.107 -0.391 1.00 0.00 C ATOM 0 H VAL A 14 -2.291 0.409 -1.752 1.00 0.00 H new ATOM 0 HA VAL A 14 -1.044 -2.050 -1.292 1.00 0.00 H new ATOM 0 HB VAL A 14 -1.829 0.251 0.474 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -0.201 -0.665 2.146 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -1.573 -1.770 1.891 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -0.000 -2.114 1.133 1.00 0.00 H new ATOM 0 HG21 VAL A 14 0.641 0.733 0.363 1.00 0.00 H new ATOM 0 HG22 VAL A 14 0.851 -0.683 -0.695 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -0.095 0.716 -1.257 1.00 0.00 H new ATOM 216 N LEU A 15 -4.072 -1.851 0.035 1.00 0.00 N ATOM 217 CA LEU A 15 -5.172 -2.694 0.494 1.00 0.00 C ATOM 218 C LEU A 15 -5.432 -3.814 -0.517 1.00 0.00 C ATOM 219 O LEU A 15 -5.452 -4.987 -0.146 1.00 0.00 O ATOM 220 CB LEU A 15 -6.447 -1.861 0.703 1.00 0.00 C ATOM 221 CG LEU A 15 -6.446 -1.050 2.007 1.00 0.00 C ATOM 222 CD1 LEU A 15 -7.517 0.041 1.917 1.00 0.00 C ATOM 223 CD2 LEU A 15 -6.758 -1.944 3.215 1.00 0.00 C ATOM 0 H LEU A 15 -4.318 -0.867 -0.071 1.00 0.00 H new ATOM 0 HA LEU A 15 -4.892 -3.136 1.450 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -6.567 -1.179 -0.139 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -7.310 -2.527 0.700 1.00 0.00 H new ATOM 0 HG LEU A 15 -5.456 -0.614 2.140 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -7.523 0.622 2.839 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -7.297 0.698 1.076 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -8.494 -0.420 1.772 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -6.750 -1.343 4.124 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -7.741 -2.397 3.088 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -6.004 -2.728 3.292 1.00 0.00 H new ATOM 235 N ASN A 16 -5.623 -3.452 -1.791 1.00 0.00 N ATOM 236 CA ASN A 16 -5.910 -4.392 -2.867 1.00 0.00 C ATOM 237 C ASN A 16 -4.618 -5.029 -3.392 1.00 0.00 C ATOM 238 O ASN A 16 -4.271 -4.874 -4.562 1.00 0.00 O ATOM 239 CB ASN A 16 -6.707 -3.690 -3.976 1.00 0.00 C ATOM 240 CG ASN A 16 -8.123 -3.338 -3.521 1.00 0.00 C ATOM 241 OD1 ASN A 16 -9.058 -4.099 -3.759 1.00 0.00 O ATOM 242 ND2 ASN A 16 -8.295 -2.187 -2.869 1.00 0.00 N ATOM 0 H ASN A 16 -5.581 -2.482 -2.102 1.00 0.00 H new ATOM 0 HA ASN A 16 -6.526 -5.204 -2.481 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -6.186 -2.782 -4.279 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -6.757 -4.336 -4.853 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -9.225 -1.915 -2.551 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -7.496 -1.579 -2.688 1.00 0.00 H new ATOM 249 N MET A 17 -3.926 -5.769 -2.517 1.00 0.00 N ATOM 250 CA MET A 17 -2.797 -6.626 -2.847 1.00 0.00 C ATOM 251 C MET A 17 -3.237 -8.066 -2.559 1.00 0.00 C ATOM 252 O MET A 17 -3.114 -8.519 -1.422 1.00 0.00 O ATOM 253 CB MET A 17 -1.572 -6.228 -2.011 1.00 0.00 C ATOM 254 CG MET A 17 -0.975 -4.889 -2.458 1.00 0.00 C ATOM 255 SD MET A 17 -0.301 -4.844 -4.142 1.00 0.00 S ATOM 256 CE MET A 17 0.182 -3.103 -4.238 1.00 0.00 C ATOM 0 H MET A 17 -4.152 -5.783 -1.522 1.00 0.00 H new ATOM 0 HA MET A 17 -2.508 -6.526 -3.893 1.00 0.00 H new ATOM 0 HB2 MET A 17 -1.856 -6.164 -0.961 1.00 0.00 H new ATOM 0 HB3 MET A 17 -0.813 -7.006 -2.089 1.00 0.00 H new ATOM 0 HG2 MET A 17 -1.747 -4.124 -2.376 1.00 0.00 H new ATOM 0 HG3 MET A 17 -0.181 -4.617 -1.762 1.00 0.00 H new ATOM 0 HE1 MET A 17 0.619 -2.900 -5.216 1.00 0.00 H new ATOM 0 HE2 MET A 17 -0.696 -2.473 -4.095 1.00 0.00 H new ATOM 0 HE3 MET A 17 0.915 -2.885 -3.461 1.00 0.00 H new ATOM 266 N PRO A 18 -3.771 -8.791 -3.559 1.00 0.00 N ATOM 267 CA PRO A 18 -4.422 -10.079 -3.354 1.00 0.00 C ATOM 268 C PRO A 18 -3.443 -11.207 -3.021 1.00 0.00 C ATOM 269 O PRO A 18 -3.863 -12.221 -2.468 1.00 0.00 O ATOM 270 CB PRO A 18 -5.177 -10.362 -4.655 1.00 0.00 C ATOM 271 CG PRO A 18 -4.333 -9.645 -5.706 1.00 0.00 C ATOM 272 CD PRO A 18 -3.856 -8.400 -4.958 1.00 0.00 C ATOM 0 HA PRO A 18 -5.085 -10.036 -2.490 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -5.248 -11.431 -4.856 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -6.195 -9.975 -4.623 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -3.499 -10.259 -6.044 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -4.918 -9.388 -6.589 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -2.888 -8.066 -5.331 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -4.552 -7.572 -5.092 1.00 0.00 H new ATOM 280 N ASN A 19 -2.153 -11.044 -3.342 1.00 0.00 N ATOM 281 CA ASN A 19 -1.147 -12.073 -3.111 1.00 0.00 C ATOM 282 C ASN A 19 -0.544 -11.917 -1.716 1.00 0.00 C ATOM 283 O ASN A 19 -0.131 -12.908 -1.116 1.00 0.00 O ATOM 284 CB ASN A 19 -0.050 -11.991 -4.178 1.00 0.00 C ATOM 285 CG ASN A 19 -0.593 -12.067 -5.606 1.00 0.00 C ATOM 286 OD1 ASN A 19 -1.653 -12.637 -5.853 1.00 0.00 O ATOM 287 ND2 ASN A 19 0.141 -11.490 -6.558 1.00 0.00 N ATOM 0 H ASN A 19 -1.784 -10.194 -3.768 1.00 0.00 H new ATOM 0 HA ASN A 19 -1.624 -13.051 -3.177 1.00 0.00 H new ATOM 0 HB2 ASN A 19 0.500 -11.058 -4.054 1.00 0.00 H new ATOM 0 HB3 ASN A 19 0.661 -12.803 -4.023 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -0.173 -11.513 -7.528 1.00 0.00 H new ATOM 0 HD22 ASN A 19 1.016 -11.026 -6.316 1.00 0.00 H new ATOM 294 N LEU A 20 -0.501 -10.684 -1.191 1.00 0.00 N ATOM 295 CA LEU A 20 -0.050 -10.428 0.166 1.00 0.00 C ATOM 296 C LEU A 20 -1.070 -10.929 1.182 1.00 0.00 C ATOM 297 O LEU A 20 -2.276 -10.879 0.945 1.00 0.00 O ATOM 298 CB LEU A 20 0.170 -8.927 0.396 1.00 0.00 C ATOM 299 CG LEU A 20 1.286 -8.320 -0.461 1.00 0.00 C ATOM 300 CD1 LEU A 20 1.531 -6.873 -0.014 1.00 0.00 C ATOM 301 CD2 LEU A 20 2.587 -9.115 -0.341 1.00 0.00 C ATOM 0 H LEU A 20 -0.779 -9.845 -1.701 1.00 0.00 H new ATOM 0 HA LEU A 20 0.892 -10.961 0.299 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -0.761 -8.398 0.189 1.00 0.00 H new ATOM 0 HB3 LEU A 20 0.404 -8.762 1.448 1.00 0.00 H new ATOM 0 HG LEU A 20 0.969 -8.351 -1.504 1.00 0.00 H new ATOM 0 HD11 LEU A 20 2.324 -6.434 -0.620 1.00 0.00 H new ATOM 0 HD12 LEU A 20 0.616 -6.294 -0.139 1.00 0.00 H new ATOM 0 HD13 LEU A 20 1.827 -6.861 1.035 1.00 0.00 H new ATOM 0 HD21 LEU A 20 3.354 -8.654 -0.963 1.00 0.00 H new ATOM 0 HD22 LEU A 20 2.916 -9.119 0.698 1.00 0.00 H new ATOM 0 HD23 LEU A 20 2.419 -10.140 -0.672 1.00 0.00 H new ATOM 313 N ASN A 21 -0.558 -11.380 2.330 1.00 0.00 N ATOM 314 CA ASN A 21 -1.353 -11.692 3.505 1.00 0.00 C ATOM 315 C ASN A 21 -1.475 -10.428 4.357 1.00 0.00 C ATOM 316 O ASN A 21 -0.722 -9.470 4.167 1.00 0.00 O ATOM 317 CB ASN A 21 -0.709 -12.848 4.280 1.00 0.00 C ATOM 318 CG ASN A 21 0.700 -12.505 4.760 1.00 0.00 C ATOM 319 OD1 ASN A 21 1.655 -12.603 3.994 1.00 0.00 O ATOM 320 ND2 ASN A 21 0.834 -12.103 6.025 1.00 0.00 N ATOM 0 H ASN A 21 0.441 -11.539 2.464 1.00 0.00 H new ATOM 0 HA ASN A 21 -2.354 -12.016 3.219 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -1.332 -13.100 5.138 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -0.669 -13.732 3.644 1.00 0.00 H new ATOM 0 HD21 ASN A 21 1.756 -11.863 6.389 1.00 0.00 H new ATOM 0 HD22 ASN A 21 0.014 -12.035 6.628 1.00 0.00 H new ATOM 327 N ALA A 22 -2.439 -10.436 5.284 1.00 0.00 N ATOM 328 CA ALA A 22 -2.838 -9.280 6.074 1.00 0.00 C ATOM 329 C ALA A 22 -1.647 -8.533 6.671 1.00 0.00 C ATOM 330 O ALA A 22 -1.509 -7.339 6.431 1.00 0.00 O ATOM 331 CB ALA A 22 -3.823 -9.714 7.162 1.00 0.00 C ATOM 0 H ALA A 22 -2.975 -11.275 5.507 1.00 0.00 H new ATOM 0 HA ALA A 22 -3.330 -8.575 5.404 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -4.120 -8.846 7.751 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -4.705 -10.157 6.699 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -3.347 -10.448 7.812 1.00 0.00 H new ATOM 337 N ASP A 23 -0.790 -9.229 7.428 1.00 0.00 N ATOM 338 CA ASP A 23 0.345 -8.633 8.125 1.00 0.00 C ATOM 339 C ASP A 23 1.208 -7.753 7.213 1.00 0.00 C ATOM 340 O ASP A 23 1.620 -6.671 7.625 1.00 0.00 O ATOM 341 CB ASP A 23 1.189 -9.734 8.776 1.00 0.00 C ATOM 342 CG ASP A 23 2.327 -9.145 9.607 1.00 0.00 C ATOM 343 OD1 ASP A 23 2.044 -8.749 10.758 1.00 0.00 O ATOM 344 OD2 ASP A 23 3.457 -9.099 9.075 1.00 0.00 O ATOM 0 H ASP A 23 -0.871 -10.235 7.572 1.00 0.00 H new ATOM 0 HA ASP A 23 -0.055 -7.975 8.896 1.00 0.00 H new ATOM 0 HB2 ASP A 23 0.555 -10.353 9.411 1.00 0.00 H new ATOM 0 HB3 ASP A 23 1.599 -10.385 8.004 1.00 0.00 H new ATOM 349 N GLN A 24 1.484 -8.210 5.985 1.00 0.00 N ATOM 350 CA GLN A 24 2.345 -7.492 5.054 1.00 0.00 C ATOM 351 C GLN A 24 1.683 -6.196 4.590 1.00 0.00 C ATOM 352 O GLN A 24 2.265 -5.123 4.747 1.00 0.00 O ATOM 353 CB GLN A 24 2.714 -8.383 3.860 1.00 0.00 C ATOM 354 CG GLN A 24 3.380 -9.702 4.271 1.00 0.00 C ATOM 355 CD GLN A 24 4.591 -9.510 5.181 1.00 0.00 C ATOM 356 OE1 GLN A 24 4.633 -10.058 6.279 1.00 0.00 O ATOM 357 NE2 GLN A 24 5.580 -8.734 4.731 1.00 0.00 N ATOM 0 H GLN A 24 1.115 -9.086 5.615 1.00 0.00 H new ATOM 0 HA GLN A 24 3.266 -7.228 5.574 1.00 0.00 H new ATOM 0 HB2 GLN A 24 1.813 -8.602 3.287 1.00 0.00 H new ATOM 0 HB3 GLN A 24 3.386 -7.835 3.200 1.00 0.00 H new ATOM 0 HG2 GLN A 24 2.647 -10.328 4.781 1.00 0.00 H new ATOM 0 HG3 GLN A 24 3.690 -10.239 3.375 1.00 0.00 H new ATOM 0 HE21 GLN A 24 5.507 -8.296 3.813 1.00 0.00 H new ATOM 0 HE22 GLN A 24 6.408 -8.579 5.306 1.00 0.00 H new ATOM 366 N ARG A 25 0.472 -6.288 4.022 1.00 0.00 N ATOM 367 CA ARG A 25 -0.248 -5.112 3.546 1.00 0.00 C ATOM 368 C ARG A 25 -0.535 -4.120 4.679 1.00 0.00 C ATOM 369 O ARG A 25 -0.406 -2.916 4.476 1.00 0.00 O ATOM 370 CB ARG A 25 -1.491 -5.495 2.731 1.00 0.00 C ATOM 371 CG ARG A 25 -2.556 -6.292 3.486 1.00 0.00 C ATOM 372 CD ARG A 25 -3.739 -6.538 2.545 1.00 0.00 C ATOM 373 NE ARG A 25 -4.764 -7.369 3.182 1.00 0.00 N ATOM 374 CZ ARG A 25 -5.889 -7.788 2.581 1.00 0.00 C ATOM 375 NH1 ARG A 25 -6.189 -7.402 1.333 1.00 0.00 N ATOM 376 NH2 ARG A 25 -6.723 -8.603 3.240 1.00 0.00 N ATOM 0 H ARG A 25 -0.025 -7.168 3.884 1.00 0.00 H new ATOM 0 HA ARG A 25 0.405 -4.582 2.853 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -1.948 -4.582 2.349 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -1.172 -6.077 1.867 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -2.145 -7.240 3.833 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -2.883 -5.744 4.370 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -4.175 -5.584 2.248 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -3.387 -7.025 1.635 1.00 0.00 H new ATOM 0 HE ARG A 25 -4.612 -7.649 4.151 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -5.559 -6.781 0.826 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -7.048 -7.729 0.890 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -6.501 -8.900 4.190 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -7.580 -8.927 2.792 1.00 0.00 H new ATOM 390 N ASN A 26 -0.886 -4.614 5.874 1.00 0.00 N ATOM 391 CA ASN A 26 -1.052 -3.792 7.068 1.00 0.00 C ATOM 392 C ASN A 26 0.261 -3.088 7.414 1.00 0.00 C ATOM 393 O ASN A 26 0.252 -1.899 7.722 1.00 0.00 O ATOM 394 CB ASN A 26 -1.541 -4.630 8.261 1.00 0.00 C ATOM 395 CG ASN A 26 -2.907 -5.296 8.068 1.00 0.00 C ATOM 396 OD1 ASN A 26 -3.157 -6.354 8.641 1.00 0.00 O ATOM 397 ND2 ASN A 26 -3.803 -4.700 7.276 1.00 0.00 N ATOM 0 H ASN A 26 -1.063 -5.606 6.035 1.00 0.00 H new ATOM 0 HA ASN A 26 -1.811 -3.040 6.855 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -0.802 -5.404 8.469 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -1.587 -3.989 9.141 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -4.720 -5.123 7.135 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -3.570 -3.822 6.812 1.00 0.00 H new ATOM 404 N GLY A 27 1.386 -3.809 7.348 1.00 0.00 N ATOM 405 CA GLY A 27 2.714 -3.246 7.530 1.00 0.00 C ATOM 406 C GLY A 27 2.924 -2.034 6.622 1.00 0.00 C ATOM 407 O GLY A 27 3.320 -0.970 7.095 1.00 0.00 O ATOM 0 H GLY A 27 1.392 -4.812 7.164 1.00 0.00 H new ATOM 0 HA2 GLY A 27 2.849 -2.953 8.571 1.00 0.00 H new ATOM 0 HA3 GLY A 27 3.467 -4.003 7.312 1.00 0.00 H new ATOM 411 N PHE A 28 2.639 -2.191 5.324 1.00 0.00 N ATOM 412 CA PHE A 28 2.759 -1.111 4.356 1.00 0.00 C ATOM 413 C PHE A 28 1.783 0.037 4.637 1.00 0.00 C ATOM 414 O PHE A 28 2.153 1.190 4.440 1.00 0.00 O ATOM 415 CB PHE A 28 2.628 -1.648 2.925 1.00 0.00 C ATOM 416 CG PHE A 28 3.790 -2.522 2.485 1.00 0.00 C ATOM 417 CD1 PHE A 28 5.094 -1.992 2.450 1.00 0.00 C ATOM 418 CD2 PHE A 28 3.574 -3.858 2.099 1.00 0.00 C ATOM 419 CE1 PHE A 28 6.182 -2.812 2.108 1.00 0.00 C ATOM 420 CE2 PHE A 28 4.663 -4.675 1.748 1.00 0.00 C ATOM 421 CZ PHE A 28 5.967 -4.153 1.751 1.00 0.00 C ATOM 0 H PHE A 28 2.319 -3.072 4.922 1.00 0.00 H new ATOM 0 HA PHE A 28 3.757 -0.685 4.461 1.00 0.00 H new ATOM 0 HB2 PHE A 28 1.705 -2.222 2.846 1.00 0.00 H new ATOM 0 HB3 PHE A 28 2.539 -0.806 2.238 1.00 0.00 H new ATOM 0 HD1 PHE A 28 5.258 -0.951 2.687 1.00 0.00 H new ATOM 0 HD2 PHE A 28 2.570 -4.256 2.072 1.00 0.00 H new ATOM 0 HE1 PHE A 28 7.185 -2.411 2.120 1.00 0.00 H new ATOM 0 HE2 PHE A 28 4.496 -5.707 1.475 1.00 0.00 H new ATOM 0 HZ PHE A 28 6.802 -4.781 1.479 1.00 0.00 H new ATOM 431 N ILE A 29 0.560 -0.243 5.106 1.00 0.00 N ATOM 432 CA ILE A 29 -0.382 0.802 5.509 1.00 0.00 C ATOM 433 C ILE A 29 0.224 1.650 6.631 1.00 0.00 C ATOM 434 O ILE A 29 0.214 2.876 6.543 1.00 0.00 O ATOM 435 CB ILE A 29 -1.747 0.195 5.891 1.00 0.00 C ATOM 436 CG1 ILE A 29 -2.457 -0.268 4.608 1.00 0.00 C ATOM 437 CG2 ILE A 29 -2.621 1.205 6.648 1.00 0.00 C ATOM 438 CD1 ILE A 29 -3.664 -1.172 4.863 1.00 0.00 C ATOM 0 H ILE A 29 0.201 -1.191 5.215 1.00 0.00 H new ATOM 0 HA ILE A 29 -0.567 1.466 4.664 1.00 0.00 H new ATOM 0 HB ILE A 29 -1.582 -0.653 6.556 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -2.783 0.608 4.048 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -1.742 -0.800 3.980 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -3.575 0.743 6.901 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -2.113 1.513 7.562 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -2.796 2.078 6.019 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -4.112 -1.457 3.911 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -3.342 -2.067 5.396 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -4.399 -0.637 5.464 1.00 0.00 H new ATOM 450 N GLN A 30 0.760 1.011 7.677 1.00 0.00 N ATOM 451 CA GLN A 30 1.406 1.722 8.772 1.00 0.00 C ATOM 452 C GLN A 30 2.633 2.497 8.283 1.00 0.00 C ATOM 453 O GLN A 30 2.878 3.604 8.757 1.00 0.00 O ATOM 454 CB GLN A 30 1.756 0.761 9.916 1.00 0.00 C ATOM 455 CG GLN A 30 0.517 0.098 10.541 1.00 0.00 C ATOM 456 CD GLN A 30 -0.529 1.106 11.014 1.00 0.00 C ATOM 457 OE1 GLN A 30 -1.644 1.137 10.498 1.00 0.00 O ATOM 458 NE2 GLN A 30 -0.174 1.936 11.996 1.00 0.00 N ATOM 0 H GLN A 30 0.756 -0.003 7.783 1.00 0.00 H new ATOM 0 HA GLN A 30 0.700 2.455 9.164 1.00 0.00 H new ATOM 0 HB2 GLN A 30 2.426 -0.013 9.541 1.00 0.00 H new ATOM 0 HB3 GLN A 30 2.299 1.306 10.688 1.00 0.00 H new ATOM 0 HG2 GLN A 30 0.063 -0.571 9.810 1.00 0.00 H new ATOM 0 HG3 GLN A 30 0.829 -0.516 11.386 1.00 0.00 H new ATOM 0 HE21 GLN A 30 0.761 1.879 12.399 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -0.838 2.628 12.344 1.00 0.00 H new ATOM 467 N SER A 31 3.391 1.941 7.327 1.00 0.00 N ATOM 468 CA SER A 31 4.515 2.636 6.711 1.00 0.00 C ATOM 469 C SER A 31 4.047 3.894 5.972 1.00 0.00 C ATOM 470 O SER A 31 4.715 4.921 6.043 1.00 0.00 O ATOM 471 CB SER A 31 5.281 1.704 5.766 1.00 0.00 C ATOM 472 OG SER A 31 5.686 0.530 6.437 1.00 0.00 O ATOM 0 H SER A 31 3.238 1.000 6.965 1.00 0.00 H new ATOM 0 HA SER A 31 5.193 2.946 7.506 1.00 0.00 H new ATOM 0 HB2 SER A 31 4.651 1.443 4.916 1.00 0.00 H new ATOM 0 HB3 SER A 31 6.155 2.220 5.368 1.00 0.00 H new ATOM 0 HG SER A 31 4.901 -0.023 6.632 1.00 0.00 H new ATOM 478 N LEU A 32 2.905 3.821 5.274 1.00 0.00 N ATOM 479 CA LEU A 32 2.301 4.949 4.573 1.00 0.00 C ATOM 480 C LEU A 32 1.963 6.047 5.586 1.00 0.00 C ATOM 481 O LEU A 32 2.407 7.182 5.438 1.00 0.00 O ATOM 482 CB LEU A 32 1.060 4.466 3.798 1.00 0.00 C ATOM 483 CG LEU A 32 0.653 5.343 2.601 1.00 0.00 C ATOM 484 CD1 LEU A 32 -0.495 4.648 1.860 1.00 0.00 C ATOM 485 CD2 LEU A 32 0.199 6.749 3.010 1.00 0.00 C ATOM 0 H LEU A 32 2.370 2.957 5.183 1.00 0.00 H new ATOM 0 HA LEU A 32 2.997 5.369 3.847 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.247 3.454 3.439 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.219 4.409 4.489 1.00 0.00 H new ATOM 0 HG LEU A 32 1.533 5.463 1.968 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -0.798 5.255 1.007 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -0.163 3.671 1.510 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -1.341 4.523 2.535 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -0.074 7.316 2.120 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -0.664 6.675 3.672 1.00 0.00 H new ATOM 0 HD23 LEU A 32 1.012 7.257 3.529 1.00 0.00 H new ATOM 497 N LYS A 33 1.192 5.699 6.626 1.00 0.00 N ATOM 498 CA LYS A 33 0.798 6.613 7.692 1.00 0.00 C ATOM 499 C LYS A 33 2.017 7.295 8.321 1.00 0.00 C ATOM 500 O LYS A 33 2.015 8.510 8.507 1.00 0.00 O ATOM 501 CB LYS A 33 0.006 5.854 8.763 1.00 0.00 C ATOM 502 CG LYS A 33 -1.377 5.418 8.265 1.00 0.00 C ATOM 503 CD LYS A 33 -2.030 4.510 9.311 1.00 0.00 C ATOM 504 CE LYS A 33 -3.435 4.087 8.878 1.00 0.00 C ATOM 505 NZ LYS A 33 -3.993 3.087 9.802 1.00 0.00 N ATOM 0 H LYS A 33 0.821 4.756 6.746 1.00 0.00 H new ATOM 0 HA LYS A 33 0.168 7.389 7.258 1.00 0.00 H new ATOM 0 HB2 LYS A 33 0.571 4.976 9.075 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -0.110 6.487 9.643 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -2.003 6.292 8.084 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -1.284 4.890 7.316 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -1.412 3.625 9.464 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -2.083 5.032 10.267 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -4.087 4.960 8.844 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -3.400 3.676 7.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -4.776 2.584 9.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -3.252 2.406 10.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -4.345 3.563 10.657 1.00 0.00 H new ATOM 519 N ASP A 34 3.050 6.511 8.648 1.00 0.00 N ATOM 520 CA ASP A 34 4.268 6.995 9.282 1.00 0.00 C ATOM 521 C ASP A 34 5.068 7.909 8.348 1.00 0.00 C ATOM 522 O ASP A 34 5.579 8.937 8.789 1.00 0.00 O ATOM 523 CB ASP A 34 5.111 5.797 9.735 1.00 0.00 C ATOM 524 CG ASP A 34 6.334 6.242 10.533 1.00 0.00 C ATOM 525 OD1 ASP A 34 6.137 6.622 11.707 1.00 0.00 O ATOM 526 OD2 ASP A 34 7.442 6.197 9.957 1.00 0.00 O ATOM 0 H ASP A 34 3.057 5.506 8.474 1.00 0.00 H new ATOM 0 HA ASP A 34 3.995 7.594 10.151 1.00 0.00 H new ATOM 0 HB2 ASP A 34 4.500 5.131 10.345 1.00 0.00 H new ATOM 0 HB3 ASP A 34 5.432 5.227 8.863 1.00 0.00 H new ATOM 531 N ASP A 35 5.179 7.526 7.070 1.00 0.00 N ATOM 532 CA ASP A 35 5.982 8.201 6.058 1.00 0.00 C ATOM 533 C ASP A 35 5.083 8.617 4.888 1.00 0.00 C ATOM 534 O ASP A 35 5.132 7.991 3.829 1.00 0.00 O ATOM 535 CB ASP A 35 7.105 7.258 5.599 1.00 0.00 C ATOM 536 CG ASP A 35 7.950 6.753 6.765 1.00 0.00 C ATOM 537 OD1 ASP A 35 8.674 7.589 7.348 1.00 0.00 O ATOM 538 OD2 ASP A 35 7.856 5.540 7.052 1.00 0.00 O ATOM 0 H ASP A 35 4.692 6.707 6.705 1.00 0.00 H new ATOM 0 HA ASP A 35 6.437 9.102 6.469 1.00 0.00 H new ATOM 0 HB2 ASP A 35 6.670 6.408 5.073 1.00 0.00 H new ATOM 0 HB3 ASP A 35 7.746 7.779 4.888 1.00 0.00 H new ATOM 543 N PRO A 36 4.254 9.664 5.050 1.00 0.00 N ATOM 544 CA PRO A 36 3.275 10.070 4.051 1.00 0.00 C ATOM 545 C PRO A 36 3.945 10.558 2.766 1.00 0.00 C ATOM 546 O PRO A 36 3.451 10.278 1.676 1.00 0.00 O ATOM 547 CB PRO A 36 2.427 11.157 4.716 1.00 0.00 C ATOM 548 CG PRO A 36 3.362 11.744 5.770 1.00 0.00 C ATOM 549 CD PRO A 36 4.176 10.530 6.216 1.00 0.00 C ATOM 0 HA PRO A 36 2.653 9.231 3.738 1.00 0.00 H new ATOM 0 HB2 PRO A 36 2.107 11.912 3.998 1.00 0.00 H new ATOM 0 HB3 PRO A 36 1.525 10.743 5.166 1.00 0.00 H new ATOM 0 HG2 PRO A 36 3.997 12.527 5.356 1.00 0.00 H new ATOM 0 HG3 PRO A 36 2.810 12.187 6.599 1.00 0.00 H new ATOM 0 HD2 PRO A 36 5.170 10.826 6.552 1.00 0.00 H new ATOM 0 HD3 PRO A 36 3.695 10.021 7.051 1.00 0.00 H new ATOM 557 N SER A 37 5.073 11.266 2.884 1.00 0.00 N ATOM 558 CA SER A 37 5.858 11.709 1.742 1.00 0.00 C ATOM 559 C SER A 37 6.366 10.528 0.905 1.00 0.00 C ATOM 560 O SER A 37 6.568 10.680 -0.298 1.00 0.00 O ATOM 561 CB SER A 37 7.015 12.585 2.235 1.00 0.00 C ATOM 562 OG SER A 37 7.834 11.871 3.137 1.00 0.00 O ATOM 0 H SER A 37 5.464 11.546 3.783 1.00 0.00 H new ATOM 0 HA SER A 37 5.218 12.298 1.085 1.00 0.00 H new ATOM 0 HB2 SER A 37 7.609 12.922 1.386 1.00 0.00 H new ATOM 0 HB3 SER A 37 6.620 13.477 2.722 1.00 0.00 H new ATOM 0 HG SER A 37 8.509 11.366 2.637 1.00 0.00 H new ATOM 568 N GLN A 38 6.569 9.359 1.532 1.00 0.00 N ATOM 569 CA GLN A 38 7.132 8.178 0.893 1.00 0.00 C ATOM 570 C GLN A 38 6.048 7.189 0.450 1.00 0.00 C ATOM 571 O GLN A 38 6.334 6.000 0.320 1.00 0.00 O ATOM 572 CB GLN A 38 8.134 7.507 1.849 1.00 0.00 C ATOM 573 CG GLN A 38 9.152 8.484 2.454 1.00 0.00 C ATOM 574 CD GLN A 38 9.861 9.319 1.393 1.00 0.00 C ATOM 575 OE1 GLN A 38 9.674 10.532 1.330 1.00 0.00 O ATOM 576 NE2 GLN A 38 10.675 8.674 0.555 1.00 0.00 N ATOM 0 H GLN A 38 6.339 9.214 2.515 1.00 0.00 H new ATOM 0 HA GLN A 38 7.651 8.495 -0.011 1.00 0.00 H new ATOM 0 HB2 GLN A 38 7.585 7.021 2.656 1.00 0.00 H new ATOM 0 HB3 GLN A 38 8.669 6.724 1.311 1.00 0.00 H new ATOM 0 HG2 GLN A 38 8.643 9.147 3.154 1.00 0.00 H new ATOM 0 HG3 GLN A 38 9.892 7.925 3.026 1.00 0.00 H new ATOM 0 HE21 GLN A 38 10.802 7.666 0.642 1.00 0.00 H new ATOM 0 HE22 GLN A 38 11.170 9.189 -0.173 1.00 0.00 H new ATOM 585 N SER A 39 4.816 7.655 0.195 1.00 0.00 N ATOM 586 CA SER A 39 3.735 6.807 -0.298 1.00 0.00 C ATOM 587 C SER A 39 4.119 6.083 -1.592 1.00 0.00 C ATOM 588 O SER A 39 3.759 4.923 -1.768 1.00 0.00 O ATOM 589 CB SER A 39 2.462 7.632 -0.503 1.00 0.00 C ATOM 590 OG SER A 39 1.987 8.080 0.744 1.00 0.00 O ATOM 0 H SER A 39 4.547 8.630 0.327 1.00 0.00 H new ATOM 0 HA SER A 39 3.547 6.044 0.458 1.00 0.00 H new ATOM 0 HB2 SER A 39 2.668 8.483 -1.153 1.00 0.00 H new ATOM 0 HB3 SER A 39 1.701 7.029 -0.999 1.00 0.00 H new ATOM 0 HG SER A 39 2.604 8.749 1.108 1.00 0.00 H new ATOM 596 N ALA A 40 4.852 6.758 -2.486 1.00 0.00 N ATOM 597 CA ALA A 40 5.341 6.180 -3.731 1.00 0.00 C ATOM 598 C ALA A 40 6.266 4.989 -3.467 1.00 0.00 C ATOM 599 O ALA A 40 6.114 3.939 -4.089 1.00 0.00 O ATOM 600 CB ALA A 40 6.060 7.259 -4.545 1.00 0.00 C ATOM 0 H ALA A 40 5.122 7.733 -2.358 1.00 0.00 H new ATOM 0 HA ALA A 40 4.490 5.807 -4.302 1.00 0.00 H new ATOM 0 HB1 ALA A 40 6.426 6.828 -5.477 1.00 0.00 H new ATOM 0 HB2 ALA A 40 5.366 8.069 -4.768 1.00 0.00 H new ATOM 0 HB3 ALA A 40 6.900 7.649 -3.970 1.00 0.00 H new ATOM 606 N ASN A 41 7.221 5.149 -2.542 1.00 0.00 N ATOM 607 CA ASN A 41 8.155 4.096 -2.167 1.00 0.00 C ATOM 608 C ASN A 41 7.408 2.917 -1.545 1.00 0.00 C ATOM 609 O ASN A 41 7.599 1.780 -1.967 1.00 0.00 O ATOM 610 CB ASN A 41 9.214 4.655 -1.211 1.00 0.00 C ATOM 611 CG ASN A 41 10.176 3.566 -0.743 1.00 0.00 C ATOM 612 OD1 ASN A 41 11.128 3.233 -1.443 1.00 0.00 O ATOM 613 ND2 ASN A 41 9.931 3.008 0.445 1.00 0.00 N ATOM 0 H ASN A 41 7.363 6.021 -2.033 1.00 0.00 H new ATOM 0 HA ASN A 41 8.662 3.731 -3.060 1.00 0.00 H new ATOM 0 HB2 ASN A 41 9.774 5.447 -1.709 1.00 0.00 H new ATOM 0 HB3 ASN A 41 8.725 5.105 -0.347 1.00 0.00 H new ATOM 0 HD21 ASN A 41 10.546 2.276 0.801 1.00 0.00 H new ATOM 0 HD22 ASN A 41 9.129 3.313 0.996 1.00 0.00 H new ATOM 620 N VAL A 42 6.558 3.193 -0.549 1.00 0.00 N ATOM 621 CA VAL A 42 5.740 2.201 0.138 1.00 0.00 C ATOM 622 C VAL A 42 4.906 1.397 -0.866 1.00 0.00 C ATOM 623 O VAL A 42 4.865 0.171 -0.787 1.00 0.00 O ATOM 624 CB VAL A 42 4.872 2.913 1.191 1.00 0.00 C ATOM 625 CG1 VAL A 42 3.783 2.001 1.767 1.00 0.00 C ATOM 626 CG2 VAL A 42 5.748 3.405 2.352 1.00 0.00 C ATOM 0 H VAL A 42 6.420 4.139 -0.193 1.00 0.00 H new ATOM 0 HA VAL A 42 6.376 1.481 0.653 1.00 0.00 H new ATOM 0 HB VAL A 42 4.391 3.749 0.683 1.00 0.00 H new ATOM 0 HG11 VAL A 42 3.200 2.552 2.505 1.00 0.00 H new ATOM 0 HG12 VAL A 42 3.128 1.665 0.964 1.00 0.00 H new ATOM 0 HG13 VAL A 42 4.246 1.137 2.243 1.00 0.00 H new ATOM 0 HG21 VAL A 42 5.124 3.907 3.091 1.00 0.00 H new ATOM 0 HG22 VAL A 42 6.248 2.555 2.816 1.00 0.00 H new ATOM 0 HG23 VAL A 42 6.495 4.103 1.974 1.00 0.00 H new ATOM 636 N LEU A 43 4.255 2.086 -1.811 1.00 0.00 N ATOM 637 CA LEU A 43 3.486 1.470 -2.883 1.00 0.00 C ATOM 638 C LEU A 43 4.377 0.556 -3.728 1.00 0.00 C ATOM 639 O LEU A 43 3.994 -0.575 -4.012 1.00 0.00 O ATOM 640 CB LEU A 43 2.832 2.570 -3.732 1.00 0.00 C ATOM 641 CG LEU A 43 2.089 2.051 -4.974 1.00 0.00 C ATOM 642 CD1 LEU A 43 0.947 1.101 -4.598 1.00 0.00 C ATOM 643 CD2 LEU A 43 1.530 3.244 -5.756 1.00 0.00 C ATOM 0 H LEU A 43 4.252 3.105 -1.847 1.00 0.00 H new ATOM 0 HA LEU A 43 2.699 0.846 -2.459 1.00 0.00 H new ATOM 0 HB2 LEU A 43 2.131 3.125 -3.109 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.602 3.273 -4.050 1.00 0.00 H new ATOM 0 HG LEU A 43 2.796 1.491 -5.586 1.00 0.00 H new ATOM 0 HD11 LEU A 43 0.447 0.757 -5.503 1.00 0.00 H new ATOM 0 HD12 LEU A 43 1.349 0.244 -4.057 1.00 0.00 H new ATOM 0 HD13 LEU A 43 0.231 1.625 -3.965 1.00 0.00 H new ATOM 0 HD21 LEU A 43 1.001 2.885 -6.639 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.841 3.803 -5.123 1.00 0.00 H new ATOM 0 HD23 LEU A 43 2.349 3.894 -6.063 1.00 0.00 H new ATOM 655 N GLY A 44 5.559 1.043 -4.124 1.00 0.00 N ATOM 656 CA GLY A 44 6.530 0.282 -4.897 1.00 0.00 C ATOM 657 C GLY A 44 6.902 -1.028 -4.202 1.00 0.00 C ATOM 658 O GLY A 44 6.835 -2.093 -4.813 1.00 0.00 O ATOM 0 H GLY A 44 5.866 1.992 -3.910 1.00 0.00 H new ATOM 0 HA2 GLY A 44 6.122 0.067 -5.884 1.00 0.00 H new ATOM 0 HA3 GLY A 44 7.427 0.882 -5.047 1.00 0.00 H new ATOM 662 N GLU A 45 7.284 -0.943 -2.922 1.00 0.00 N ATOM 663 CA GLU A 45 7.644 -2.086 -2.093 1.00 0.00 C ATOM 664 C GLU A 45 6.483 -3.077 -1.999 1.00 0.00 C ATOM 665 O GLU A 45 6.685 -4.276 -2.178 1.00 0.00 O ATOM 666 CB GLU A 45 8.039 -1.604 -0.693 1.00 0.00 C ATOM 667 CG GLU A 45 9.349 -0.805 -0.701 1.00 0.00 C ATOM 668 CD GLU A 45 9.665 -0.182 0.659 1.00 0.00 C ATOM 669 OE1 GLU A 45 8.732 -0.061 1.483 1.00 0.00 O ATOM 670 OE2 GLU A 45 10.848 0.176 0.851 1.00 0.00 O ATOM 0 H GLU A 45 7.351 -0.053 -2.428 1.00 0.00 H new ATOM 0 HA GLU A 45 8.491 -2.596 -2.552 1.00 0.00 H new ATOM 0 HB2 GLU A 45 7.240 -0.984 -0.286 1.00 0.00 H new ATOM 0 HB3 GLU A 45 8.144 -2.464 -0.031 1.00 0.00 H new ATOM 0 HG2 GLU A 45 10.168 -1.461 -0.996 1.00 0.00 H new ATOM 0 HG3 GLU A 45 9.285 -0.017 -1.452 1.00 0.00 H new ATOM 677 N ALA A 46 5.273 -2.578 -1.719 1.00 0.00 N ATOM 678 CA ALA A 46 4.074 -3.395 -1.602 1.00 0.00 C ATOM 679 C ALA A 46 3.783 -4.152 -2.896 1.00 0.00 C ATOM 680 O ALA A 46 3.521 -5.351 -2.859 1.00 0.00 O ATOM 681 CB ALA A 46 2.889 -2.517 -1.197 1.00 0.00 C ATOM 0 H ALA A 46 5.104 -1.584 -1.567 1.00 0.00 H new ATOM 0 HA ALA A 46 4.240 -4.143 -0.827 1.00 0.00 H new ATOM 0 HB1 ALA A 46 1.993 -3.132 -1.110 1.00 0.00 H new ATOM 0 HB2 ALA A 46 3.098 -2.043 -0.238 1.00 0.00 H new ATOM 0 HB3 ALA A 46 2.730 -1.749 -1.954 1.00 0.00 H new ATOM 687 N GLN A 47 3.836 -3.456 -4.037 1.00 0.00 N ATOM 688 CA GLN A 47 3.576 -4.040 -5.343 1.00 0.00 C ATOM 689 C GLN A 47 4.635 -5.086 -5.694 1.00 0.00 C ATOM 690 O GLN A 47 4.297 -6.147 -6.214 1.00 0.00 O ATOM 691 CB GLN A 47 3.504 -2.930 -6.401 1.00 0.00 C ATOM 692 CG GLN A 47 3.157 -3.453 -7.802 1.00 0.00 C ATOM 693 CD GLN A 47 1.806 -4.168 -7.846 1.00 0.00 C ATOM 694 OE1 GLN A 47 0.778 -3.539 -8.087 1.00 0.00 O ATOM 695 NE2 GLN A 47 1.800 -5.483 -7.616 1.00 0.00 N ATOM 0 H GLN A 47 4.063 -2.462 -4.072 1.00 0.00 H new ATOM 0 HA GLN A 47 2.615 -4.554 -5.319 1.00 0.00 H new ATOM 0 HB2 GLN A 47 2.757 -2.196 -6.099 1.00 0.00 H new ATOM 0 HB3 GLN A 47 4.462 -2.412 -6.440 1.00 0.00 H new ATOM 0 HG2 GLN A 47 3.146 -2.619 -8.504 1.00 0.00 H new ATOM 0 HG3 GLN A 47 3.937 -4.138 -8.133 1.00 0.00 H new ATOM 0 HE21 GLN A 47 2.674 -5.970 -7.419 1.00 0.00 H new ATOM 0 HE22 GLN A 47 0.921 -6.000 -7.637 1.00 0.00 H new ATOM 704 N LYS A 48 5.909 -4.790 -5.411 1.00 0.00 N ATOM 705 CA LYS A 48 7.015 -5.706 -5.646 1.00 0.00 C ATOM 706 C LYS A 48 6.847 -6.975 -4.808 1.00 0.00 C ATOM 707 O LYS A 48 7.043 -8.077 -5.316 1.00 0.00 O ATOM 708 CB LYS A 48 8.342 -4.993 -5.349 1.00 0.00 C ATOM 709 CG LYS A 48 9.579 -5.887 -5.523 1.00 0.00 C ATOM 710 CD LYS A 48 9.724 -6.419 -6.956 1.00 0.00 C ATOM 711 CE LYS A 48 11.035 -7.192 -7.141 1.00 0.00 C ATOM 712 NZ LYS A 48 11.065 -8.423 -6.333 1.00 0.00 N ATOM 0 H LYS A 48 6.197 -3.898 -5.009 1.00 0.00 H new ATOM 0 HA LYS A 48 7.021 -6.012 -6.692 1.00 0.00 H new ATOM 0 HB2 LYS A 48 8.434 -4.129 -6.007 1.00 0.00 H new ATOM 0 HB3 LYS A 48 8.320 -4.615 -4.327 1.00 0.00 H new ATOM 0 HG2 LYS A 48 10.472 -5.322 -5.257 1.00 0.00 H new ATOM 0 HG3 LYS A 48 9.516 -6.727 -4.832 1.00 0.00 H new ATOM 0 HD2 LYS A 48 8.881 -7.069 -7.190 1.00 0.00 H new ATOM 0 HD3 LYS A 48 9.689 -5.587 -7.659 1.00 0.00 H new ATOM 0 HE2 LYS A 48 11.162 -7.445 -8.194 1.00 0.00 H new ATOM 0 HE3 LYS A 48 11.875 -6.555 -6.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 11.929 -8.959 -6.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 11.055 -8.176 -5.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 10.232 -9.004 -6.555 1.00 0.00 H new ATOM 726 N LEU A 49 6.483 -6.826 -3.528 1.00 0.00 N ATOM 727 CA LEU A 49 6.277 -7.954 -2.635 1.00 0.00 C ATOM 728 C LEU A 49 5.093 -8.799 -3.119 1.00 0.00 C ATOM 729 O LEU A 49 5.203 -10.019 -3.204 1.00 0.00 O ATOM 730 CB LEU A 49 6.104 -7.466 -1.187 1.00 0.00 C ATOM 731 CG LEU A 49 6.246 -8.616 -0.172 1.00 0.00 C ATOM 732 CD1 LEU A 49 7.713 -9.012 0.026 1.00 0.00 C ATOM 733 CD2 LEU A 49 5.697 -8.209 1.198 1.00 0.00 C ATOM 0 H LEU A 49 6.325 -5.918 -3.091 1.00 0.00 H new ATOM 0 HA LEU A 49 7.157 -8.596 -2.649 1.00 0.00 H new ATOM 0 HB2 LEU A 49 6.847 -6.698 -0.972 1.00 0.00 H new ATOM 0 HB3 LEU A 49 5.124 -7.002 -1.075 1.00 0.00 H new ATOM 0 HG LEU A 49 5.682 -9.455 -0.579 1.00 0.00 H new ATOM 0 HD11 LEU A 49 7.776 -9.826 0.748 1.00 0.00 H new ATOM 0 HD12 LEU A 49 8.133 -9.338 -0.925 1.00 0.00 H new ATOM 0 HD13 LEU A 49 8.275 -8.154 0.396 1.00 0.00 H new ATOM 0 HD21 LEU A 49 5.809 -9.039 1.896 1.00 0.00 H new ATOM 0 HD22 LEU A 49 6.249 -7.345 1.569 1.00 0.00 H new ATOM 0 HD23 LEU A 49 4.642 -7.953 1.106 1.00 0.00 H new ATOM 745 N ASN A 50 3.972 -8.149 -3.460 1.00 0.00 N ATOM 746 CA ASN A 50 2.787 -8.793 -4.014 1.00 0.00 C ATOM 747 C ASN A 50 3.142 -9.604 -5.263 1.00 0.00 C ATOM 748 O ASN A 50 2.732 -10.756 -5.391 1.00 0.00 O ATOM 749 CB ASN A 50 1.731 -7.722 -4.320 1.00 0.00 C ATOM 750 CG ASN A 50 0.433 -8.319 -4.860 1.00 0.00 C ATOM 751 OD1 ASN A 50 -0.453 -8.693 -4.094 1.00 0.00 O ATOM 752 ND2 ASN A 50 0.313 -8.406 -6.186 1.00 0.00 N ATOM 0 H ASN A 50 3.868 -7.140 -3.354 1.00 0.00 H new ATOM 0 HA ASN A 50 2.378 -9.493 -3.285 1.00 0.00 H new ATOM 0 HB2 ASN A 50 1.518 -7.157 -3.413 1.00 0.00 H new ATOM 0 HB3 ASN A 50 2.133 -7.017 -5.047 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -0.536 -8.794 -6.597 1.00 0.00 H new ATOM 0 HD22 ASN A 50 1.071 -8.085 -6.789 1.00 0.00 H new ATOM 759 N ASP A 51 3.912 -9.001 -6.175 1.00 0.00 N ATOM 760 CA ASP A 51 4.371 -9.635 -7.400 1.00 0.00 C ATOM 761 C ASP A 51 5.226 -10.869 -7.094 1.00 0.00 C ATOM 762 O ASP A 51 4.979 -11.937 -7.648 1.00 0.00 O ATOM 763 CB ASP A 51 5.138 -8.610 -8.244 1.00 0.00 C ATOM 764 CG ASP A 51 5.667 -9.229 -9.534 1.00 0.00 C ATOM 765 OD1 ASP A 51 4.851 -9.380 -10.469 1.00 0.00 O ATOM 766 OD2 ASP A 51 6.877 -9.541 -9.561 1.00 0.00 O ATOM 0 H ASP A 51 4.236 -8.039 -6.073 1.00 0.00 H new ATOM 0 HA ASP A 51 3.510 -9.982 -7.971 1.00 0.00 H new ATOM 0 HB2 ASP A 51 4.483 -7.772 -8.483 1.00 0.00 H new ATOM 0 HB3 ASP A 51 5.969 -8.209 -7.664 1.00 0.00 H new ATOM 771 N SER A 52 6.227 -10.729 -6.216 1.00 0.00 N ATOM 772 CA SER A 52 7.123 -11.823 -5.859 1.00 0.00 C ATOM 773 C SER A 52 6.371 -12.984 -5.197 1.00 0.00 C ATOM 774 O SER A 52 6.728 -14.140 -5.411 1.00 0.00 O ATOM 775 CB SER A 52 8.271 -11.310 -4.983 1.00 0.00 C ATOM 776 OG SER A 52 7.811 -10.922 -3.707 1.00 0.00 O ATOM 0 H SER A 52 6.434 -9.853 -5.736 1.00 0.00 H new ATOM 0 HA SER A 52 7.554 -12.220 -6.778 1.00 0.00 H new ATOM 0 HB2 SER A 52 9.026 -12.089 -4.878 1.00 0.00 H new ATOM 0 HB3 SER A 52 8.752 -10.463 -5.471 1.00 0.00 H new ATOM 0 HG SER A 52 6.874 -10.643 -3.768 1.00 0.00 H new ATOM 782 N GLN A 53 5.325 -12.680 -4.414 1.00 0.00 N ATOM 783 CA GLN A 53 4.500 -13.674 -3.737 1.00 0.00 C ATOM 784 C GLN A 53 3.319 -14.129 -4.608 1.00 0.00 C ATOM 785 O GLN A 53 2.410 -14.781 -4.097 1.00 0.00 O ATOM 786 CB GLN A 53 4.004 -13.101 -2.399 1.00 0.00 C ATOM 787 CG GLN A 53 5.159 -12.853 -1.419 1.00 0.00 C ATOM 788 CD GLN A 53 4.677 -12.328 -0.065 1.00 0.00 C ATOM 789 OE1 GLN A 53 3.479 -12.256 0.201 1.00 0.00 O ATOM 790 NE2 GLN A 53 5.619 -11.960 0.804 1.00 0.00 N ATOM 0 H GLN A 53 5.030 -11.720 -4.235 1.00 0.00 H new ATOM 0 HA GLN A 53 5.112 -14.556 -3.550 1.00 0.00 H new ATOM 0 HB2 GLN A 53 3.474 -12.166 -2.579 1.00 0.00 H new ATOM 0 HB3 GLN A 53 3.290 -13.792 -1.951 1.00 0.00 H new ATOM 0 HG2 GLN A 53 5.710 -13.782 -1.270 1.00 0.00 H new ATOM 0 HG3 GLN A 53 5.854 -12.136 -1.856 1.00 0.00 H new ATOM 0 HE21 GLN A 53 6.604 -12.033 0.550 1.00 0.00 H new ATOM 0 HE22 GLN A 53 5.355 -11.605 1.723 1.00 0.00 H new ATOM 799 N ALA A 54 3.313 -13.813 -5.912 1.00 0.00 N ATOM 800 CA ALA A 54 2.246 -14.239 -6.807 1.00 0.00 C ATOM 801 C ALA A 54 2.261 -15.763 -6.973 1.00 0.00 C ATOM 802 O ALA A 54 3.340 -16.349 -7.062 1.00 0.00 O ATOM 803 CB ALA A 54 2.389 -13.547 -8.165 1.00 0.00 C ATOM 0 H ALA A 54 4.042 -13.261 -6.364 1.00 0.00 H new ATOM 0 HA ALA A 54 1.289 -13.953 -6.371 1.00 0.00 H new ATOM 0 HB1 ALA A 54 1.586 -13.873 -8.826 1.00 0.00 H new ATOM 0 HB2 ALA A 54 2.332 -12.467 -8.031 1.00 0.00 H new ATOM 0 HB3 ALA A 54 3.351 -13.808 -8.607 1.00 0.00 H new ATOM 809 N PRO A 55 1.089 -16.419 -7.017 1.00 0.00 N ATOM 810 CA PRO A 55 0.990 -17.865 -7.152 1.00 0.00 C ATOM 811 C PRO A 55 1.430 -18.327 -8.544 1.00 0.00 C ATOM 812 O PRO A 55 2.094 -19.353 -8.669 1.00 0.00 O ATOM 813 CB PRO A 55 -0.478 -18.201 -6.875 1.00 0.00 C ATOM 814 CG PRO A 55 -1.222 -16.930 -7.287 1.00 0.00 C ATOM 815 CD PRO A 55 -0.235 -15.821 -6.922 1.00 0.00 C ATOM 0 HA PRO A 55 1.651 -18.382 -6.456 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -0.808 -19.064 -7.454 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -0.643 -18.440 -5.824 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -1.457 -16.927 -8.351 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -2.165 -16.823 -6.752 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -0.331 -14.974 -7.601 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -0.423 -15.446 -5.916 1.00 0.00 H new ATOM 823 N LYS A 56 1.063 -17.576 -9.589 1.00 0.00 N ATOM 824 CA LYS A 56 1.394 -17.929 -10.957 1.00 0.00 C ATOM 825 C LYS A 56 0.150 -18.483 -11.652 1.00 0.00 C ATOM 826 O LYS A 56 -0.226 -17.904 -12.694 1.00 0.00 O ATOM 827 CB LYS A 56 2.555 -18.935 -10.956 1.00 0.00 C ATOM 828 CG LYS A 56 2.969 -19.410 -12.357 1.00 0.00 C ATOM 829 CD LYS A 56 3.453 -18.258 -13.248 1.00 0.00 C ATOM 830 CE LYS A 56 4.069 -18.765 -14.558 1.00 0.00 C ATOM 831 NZ LYS A 56 3.071 -19.423 -15.380 1.00 0.00 N ATOM 832 OXT LYS A 56 -0.404 -19.476 -11.130 1.00 0.00 O ATOM 0 H LYS A 56 0.530 -16.711 -9.501 1.00 0.00 H new ATOM 0 HA LYS A 56 1.719 -17.049 -11.513 1.00 0.00 H new ATOM 0 HB2 LYS A 56 3.417 -18.480 -10.468 1.00 0.00 H new ATOM 0 HB3 LYS A 56 2.271 -19.801 -10.358 1.00 0.00 H new ATOM 0 HG2 LYS A 56 3.762 -20.153 -12.266 1.00 0.00 H new ATOM 0 HG3 LYS A 56 2.123 -19.904 -12.835 1.00 0.00 H new ATOM 0 HD2 LYS A 56 2.616 -17.597 -13.473 1.00 0.00 H new ATOM 0 HD3 LYS A 56 4.190 -17.666 -12.706 1.00 0.00 H new ATOM 0 HE2 LYS A 56 4.504 -17.930 -15.107 1.00 0.00 H new ATOM 0 HE3 LYS A 56 4.880 -19.459 -14.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 3.496 -19.697 -16.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 2.723 -20.272 -14.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 2.278 -18.772 -15.551 1.00 0.00 H new TER 845 LYS A 56