USER MOD reduce.3.24.130724 H: found=0, std=0, add=974, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 970 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 18 GLN : amide:sc= -1.29 K(o=-2.3,f=-11!) USER MOD Set 1.2: B 11 MET CE :methyl -161:sc= -0.55 (180deg=-0.277) USER MOD Set 1.3: B 18 GLN : amide:sc= -0.485 K(o=-2.3,f=-11!) USER MOD Set 2.1: B 2 THR OG1 : rot -58:sc= 0.159 USER MOD Set 2.2: B 62 ASN :FLIP amide:sc= 0.0153 F(o=-2.3!,f=0.17) USER MOD Set 3.1: A 52 CYS SG : rot 151:sc= -2.84! USER MOD Set 3.2: B 34 GLN :FLIP amide:sc= -4.99! C(o=-12!,f=-7.8!) USER MOD Set 4.1: A 25 LYS NZ :NH3+ -136:sc= -4.68! (180deg=-7.56!) USER MOD Set 4.2: B 4 GLN : amide:sc= 0.0651 K(o=-4.6,f=-6.4) USER MOD Set 5.1: A 6 LYS NZ :NH3+ 148:sc= 0.399 (180deg=-2.18!) USER MOD Set 5.2: A 7 THR OG1 : rot 180:sc= 0.737 USER MOD Set 5.3: A 10 ASN : amide:sc= -5.64! C(o=-4.5!,f=-7.1!) USER MOD Set 6.1: A 3 LYS NZ :NH3+ -118:sc= -1.07 (180deg=-1.13) USER MOD Set 6.2: A 4 GLN : amide:sc= -4.34! C(o=-5.4!,f=-15!) USER MOD Set 7.1: A 1 MET N :NH3+ 172:sc= 2.28! (180deg=1.8) USER MOD Set 7.2: A 2 THR OG1 : rot -155:sc= -0.443! USER MOD Single : A 1 MET CE :methyl -172:sc= -0.108 (180deg=-0.328) USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot -110:sc= -1.21 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0.044 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0.125 USER MOD Single : A 27 ASN : amide:sc= -0.0557 X(o=-0.056,f=0) USER MOD Single : A 34 GLN : amide:sc= -1.32 K(o=-1.3,f=-5.4!) USER MOD Single : A 38 CYS SG : rot -150:sc= -4.42! USER MOD Single : A 40 SER OG : rot 180:sc= 0.0185 USER MOD Single : A 42 HIS : no HE2:sc= -4.07! C(o=-4.1!,f=-5.7!) USER MOD Single : A 44 HIS : no HE2:sc= -2.39! C(o=-2.4!,f=-5.4!) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 110:sc= 0.283 USER MOD Single : A 62 ASN :FLIP amide:sc= -0.556 F(o=-3.3!,f=-0.56) USER MOD Single : B 1 MET CE :methyl -175:sc= 0 (180deg=-0.0405) USER MOD Single : B 1 MET N :NH3+ -148:sc= -2! (180deg=-3.5!) USER MOD Single : B 3 LYS NZ :NH3+ 149:sc= -1.09 (180deg=-4.4!) USER MOD Single : B 6 LYS NZ :NH3+ 157:sc= 0.00754 (180deg=-1.05!) USER MOD Single : B 7 THR OG1 : rot 106:sc= 0.368 USER MOD Single : B 10 ASN : amide:sc= -0.133 K(o=-0.13,f=-0.84) USER MOD Single : B 17 SER OG : rot 180:sc= 0.126 USER MOD Single : B 19 THR OG1 : rot 75:sc= 0.45 USER MOD Single : B 21 THR OG1 : rot 180:sc= 0.0639 USER MOD Single : B 25 LYS NZ :NH3+ -123:sc= -5.06! (180deg=-6.16!) USER MOD Single : B 27 ASN :FLIP amide:sc= -0.129 F(o=-1.8,f=-0.13) USER MOD Single : B 38 CYS SG : rot 150:sc= -1.32 USER MOD Single : B 40 SER OG : rot 92:sc= 0.406 USER MOD Single : B 42 HIS : no HD1:sc= -4.6! C(o=-4.6!,f=-6.3!) USER MOD Single : B 44 HIS : no HD1:sc= -1.08 K(o=-1.1,f=-1.8) USER MOD Single : B 49 TYR OH : rot 180:sc= 0 USER MOD Single : B 51 SER OG : rot 97:sc= 0.825 USER MOD Single : B 52 CYS SG : rot 36:sc= 0.13 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -21.085 2.601 -0.408 1.00 3.37 N ATOM 2 CA MET A 1 -22.293 2.415 -1.251 1.00 3.57 C ATOM 3 C MET A 1 -22.292 3.582 -2.209 1.00 3.47 C ATOM 4 O MET A 1 -23.280 4.284 -2.315 1.00 4.06 O ATOM 5 CB MET A 1 -23.589 2.475 -0.435 1.00 3.97 C ATOM 6 CG MET A 1 -23.629 1.339 0.594 1.00 4.33 C ATOM 7 SD MET A 1 -22.387 1.332 1.910 1.00 4.83 S ATOM 8 CE MET A 1 -23.121 2.640 2.926 1.00 5.37 C ATOM 0 H1 MET A 1 -21.092 1.907 0.366 1.00 3.37 H new ATOM 0 H2 MET A 1 -20.233 2.465 -0.988 1.00 3.37 H new ATOM 0 H3 MET A 1 -21.083 3.562 -0.011 1.00 3.37 H new ATOM 0 HA MET A 1 -22.260 1.439 -1.736 1.00 3.57 H new ATOM 0 HB2 MET A 1 -23.661 3.437 0.073 1.00 3.97 H new ATOM 0 HB3 MET A 1 -24.449 2.401 -1.101 1.00 3.97 H new ATOM 0 HG2 MET A 1 -24.612 1.351 1.064 1.00 4.33 H new ATOM 0 HG3 MET A 1 -23.546 0.397 0.053 1.00 4.33 H new ATOM 0 HE1 MET A 1 -22.436 2.903 3.732 1.00 5.37 H new ATOM 0 HE2 MET A 1 -23.309 3.518 2.308 1.00 5.37 H new ATOM 0 HE3 MET A 1 -24.061 2.287 3.350 1.00 5.37 H new ATOM 20 N THR A 2 -21.200 3.770 -2.889 1.00 2.92 N ATOM 21 CA THR A 2 -21.122 4.915 -3.813 1.00 2.99 C ATOM 22 C THR A 2 -20.691 4.485 -5.219 1.00 2.72 C ATOM 23 O THR A 2 -21.071 3.436 -5.695 1.00 2.84 O ATOM 24 CB THR A 2 -20.167 5.853 -3.120 1.00 3.22 C ATOM 25 OG1 THR A 2 -20.260 5.308 -1.807 1.00 3.49 O ATOM 26 CG2 THR A 2 -20.761 7.268 -3.029 1.00 4.02 C ATOM 0 H THR A 2 -20.368 3.183 -2.842 1.00 2.92 H new ATOM 0 HA THR A 2 -22.080 5.399 -4.001 1.00 2.99 H new ATOM 0 HB THR A 2 -19.187 5.929 -3.591 1.00 3.22 H new ATOM 0 HG1 THR A 2 -20.034 5.999 -1.149 1.00 3.49 H new ATOM 0 HG21 THR A 2 -20.054 7.928 -2.525 1.00 4.02 H new ATOM 0 HG22 THR A 2 -20.957 7.645 -4.033 1.00 4.02 H new ATOM 0 HG23 THR A 2 -21.693 7.236 -2.465 1.00 4.02 H new ATOM 34 N LYS A 3 -19.902 5.311 -5.847 1.00 2.63 N ATOM 35 CA LYS A 3 -19.478 4.998 -7.234 1.00 2.60 C ATOM 36 C LYS A 3 -18.448 3.876 -7.362 1.00 2.17 C ATOM 37 O LYS A 3 -18.738 2.795 -7.832 1.00 2.07 O ATOM 38 CB LYS A 3 -18.873 6.251 -7.901 1.00 3.03 C ATOM 39 CG LYS A 3 -19.591 7.536 -7.434 1.00 3.61 C ATOM 40 CD LYS A 3 -19.085 8.756 -8.243 1.00 3.98 C ATOM 41 CE LYS A 3 -17.550 8.942 -8.092 1.00 4.65 C ATOM 42 NZ LYS A 3 -17.145 9.071 -6.667 1.00 4.95 N ATOM 0 H LYS A 3 -19.536 6.182 -5.462 1.00 2.63 H new ATOM 0 HA LYS A 3 -20.391 4.660 -7.724 1.00 2.60 H new ATOM 0 HB2 LYS A 3 -17.812 6.317 -7.661 1.00 3.03 H new ATOM 0 HB3 LYS A 3 -18.950 6.162 -8.985 1.00 3.03 H new ATOM 0 HG2 LYS A 3 -20.668 7.427 -7.562 1.00 3.61 H new ATOM 0 HG3 LYS A 3 -19.411 7.696 -6.371 1.00 3.61 H new ATOM 0 HD2 LYS A 3 -19.335 8.625 -9.296 1.00 3.98 H new ATOM 0 HD3 LYS A 3 -19.597 9.657 -7.904 1.00 3.98 H new ATOM 0 HE2 LYS A 3 -17.035 8.092 -8.540 1.00 4.65 H new ATOM 0 HE3 LYS A 3 -17.236 9.830 -8.641 1.00 4.65 H new ATOM 0 HZ1 LYS A 3 -16.710 10.003 -6.513 1.00 4.95 H new ATOM 0 HZ2 LYS A 3 -17.983 8.975 -6.058 1.00 4.95 H new ATOM 0 HZ3 LYS A 3 -16.459 8.326 -6.432 1.00 4.95 H new ATOM 56 N GLN A 4 -17.251 4.157 -6.934 1.00 2.02 N ATOM 57 CA GLN A 4 -16.182 3.141 -7.087 1.00 1.74 C ATOM 58 C GLN A 4 -16.110 2.104 -5.975 1.00 1.34 C ATOM 59 O GLN A 4 -15.061 1.913 -5.399 1.00 1.25 O ATOM 60 CB GLN A 4 -14.809 3.876 -7.214 1.00 1.87 C ATOM 61 CG GLN A 4 -14.396 4.715 -5.992 1.00 2.66 C ATOM 62 CD GLN A 4 -15.255 5.962 -5.801 1.00 3.34 C ATOM 63 OE1 GLN A 4 -15.718 6.561 -6.752 1.00 3.63 O ATOM 64 NE2 GLN A 4 -15.487 6.386 -4.591 1.00 4.09 N ATOM 0 H GLN A 4 -16.971 5.033 -6.492 1.00 2.02 H new ATOM 0 HA GLN A 4 -16.427 2.575 -7.985 1.00 1.74 H new ATOM 0 HB2 GLN A 4 -14.034 3.133 -7.402 1.00 1.87 H new ATOM 0 HB3 GLN A 4 -14.844 4.528 -8.087 1.00 1.87 H new ATOM 0 HG2 GLN A 4 -14.460 4.097 -5.097 1.00 2.66 H new ATOM 0 HG3 GLN A 4 -13.353 5.013 -6.100 1.00 2.66 H new ATOM 0 HE21 GLN A 4 -15.099 5.885 -3.792 1.00 4.09 H new ATOM 0 HE22 GLN A 4 -16.056 7.219 -4.443 1.00 4.09 H new ATOM 73 N GLU A 5 -17.205 1.456 -5.697 1.00 1.21 N ATOM 74 CA GLU A 5 -17.175 0.430 -4.624 1.00 0.96 C ATOM 75 C GLU A 5 -16.203 -0.669 -5.034 1.00 0.95 C ATOM 76 O GLU A 5 -15.098 -0.771 -4.540 1.00 0.82 O ATOM 77 CB GLU A 5 -18.584 -0.157 -4.449 1.00 1.13 C ATOM 78 CG GLU A 5 -19.582 0.934 -4.069 1.00 1.56 C ATOM 79 CD GLU A 5 -19.639 1.010 -2.551 1.00 1.97 C ATOM 80 OE1 GLU A 5 -20.271 0.138 -1.985 1.00 2.53 O ATOM 81 OE2 GLU A 5 -19.059 1.935 -2.019 1.00 2.36 O ATOM 0 H GLU A 5 -18.105 1.590 -6.158 1.00 1.21 H new ATOM 0 HA GLU A 5 -16.854 0.873 -3.681 1.00 0.96 H new ATOM 0 HB2 GLU A 5 -18.900 -0.639 -5.374 1.00 1.13 H new ATOM 0 HB3 GLU A 5 -18.569 -0.927 -3.678 1.00 1.13 H new ATOM 0 HG2 GLU A 5 -19.276 1.893 -4.487 1.00 1.56 H new ATOM 0 HG3 GLU A 5 -20.567 0.708 -4.477 1.00 1.56 H new ATOM 88 N LYS A 6 -16.638 -1.473 -5.959 1.00 1.22 N ATOM 89 CA LYS A 6 -15.757 -2.590 -6.381 1.00 1.36 C ATOM 90 C LYS A 6 -14.475 -2.106 -7.022 1.00 1.20 C ATOM 91 O LYS A 6 -13.506 -2.829 -7.061 1.00 1.18 O ATOM 92 CB LYS A 6 -16.435 -3.494 -7.410 1.00 1.75 C ATOM 93 CG LYS A 6 -16.677 -2.704 -8.718 1.00 2.49 C ATOM 94 CD LYS A 6 -16.717 -3.668 -9.905 1.00 2.98 C ATOM 95 CE LYS A 6 -15.947 -2.978 -11.048 1.00 3.67 C ATOM 96 NZ LYS A 6 -14.558 -2.636 -10.608 1.00 3.78 N ATOM 0 H LYS A 6 -17.540 -1.409 -6.430 1.00 1.22 H new ATOM 0 HA LYS A 6 -15.542 -3.134 -5.462 1.00 1.36 H new ATOM 0 HB2 LYS A 6 -15.811 -4.365 -7.610 1.00 1.75 H new ATOM 0 HB3 LYS A 6 -17.382 -3.863 -7.016 1.00 1.75 H new ATOM 0 HG2 LYS A 6 -17.616 -2.153 -8.653 1.00 2.49 H new ATOM 0 HG3 LYS A 6 -15.885 -1.969 -8.861 1.00 2.49 H new ATOM 0 HD2 LYS A 6 -16.257 -4.622 -9.647 1.00 2.98 H new ATOM 0 HD3 LYS A 6 -17.745 -3.879 -10.200 1.00 2.98 H new ATOM 0 HE2 LYS A 6 -15.909 -3.634 -11.918 1.00 3.67 H new ATOM 0 HE3 LYS A 6 -16.472 -2.073 -11.354 1.00 3.67 H new ATOM 0 HZ1 LYS A 6 -13.912 -2.693 -11.421 1.00 3.78 H new ATOM 0 HZ2 LYS A 6 -14.544 -1.670 -10.222 1.00 3.78 H new ATOM 0 HZ3 LYS A 6 -14.251 -3.307 -9.875 1.00 3.78 H new ATOM 110 N THR A 7 -14.467 -0.912 -7.528 1.00 1.23 N ATOM 111 CA THR A 7 -13.220 -0.487 -8.182 1.00 1.25 C ATOM 112 C THR A 7 -12.205 -0.087 -7.119 1.00 0.98 C ATOM 113 O THR A 7 -11.031 -0.357 -7.253 1.00 0.93 O ATOM 114 CB THR A 7 -13.603 0.646 -9.114 1.00 1.53 C ATOM 115 OG1 THR A 7 -14.791 0.135 -9.714 1.00 1.77 O ATOM 116 CG2 THR A 7 -12.602 0.750 -10.278 1.00 1.82 C ATOM 0 H THR A 7 -15.235 -0.241 -7.518 1.00 1.23 H new ATOM 0 HA THR A 7 -12.744 -1.278 -8.761 1.00 1.25 H new ATOM 0 HB THR A 7 -13.667 1.603 -8.596 1.00 1.53 H new ATOM 0 HG1 THR A 7 -15.145 0.791 -10.350 1.00 1.77 H new ATOM 0 HG21 THR A 7 -12.893 1.569 -10.936 1.00 1.82 H new ATOM 0 HG22 THR A 7 -11.604 0.939 -9.884 1.00 1.82 H new ATOM 0 HG23 THR A 7 -12.599 -0.184 -10.840 1.00 1.82 H new ATOM 124 N ALA A 8 -12.655 0.543 -6.077 1.00 0.87 N ATOM 125 CA ALA A 8 -11.654 0.919 -5.051 1.00 0.79 C ATOM 126 C ALA A 8 -11.209 -0.390 -4.451 1.00 0.62 C ATOM 127 O ALA A 8 -10.070 -0.562 -4.073 1.00 0.70 O ATOM 128 CB ALA A 8 -12.287 1.769 -3.974 1.00 0.81 C ATOM 0 H ALA A 8 -13.624 0.804 -5.894 1.00 0.87 H new ATOM 0 HA ALA A 8 -10.834 1.494 -5.481 1.00 0.79 H new ATOM 0 HB1 ALA A 8 -11.535 2.034 -3.231 1.00 0.81 H new ATOM 0 HB2 ALA A 8 -12.693 2.677 -4.419 1.00 0.81 H new ATOM 0 HB3 ALA A 8 -13.090 1.210 -3.494 1.00 0.81 H new ATOM 134 N LEU A 9 -12.156 -1.278 -4.392 1.00 0.59 N ATOM 135 CA LEU A 9 -11.884 -2.617 -3.823 1.00 0.73 C ATOM 136 C LEU A 9 -10.758 -3.285 -4.606 1.00 0.60 C ATOM 137 O LEU A 9 -9.686 -3.529 -4.089 1.00 0.61 O ATOM 138 CB LEU A 9 -13.161 -3.461 -3.916 1.00 1.09 C ATOM 139 CG LEU A 9 -13.063 -4.705 -3.032 1.00 1.65 C ATOM 140 CD1 LEU A 9 -13.192 -4.303 -1.558 1.00 1.96 C ATOM 141 CD2 LEU A 9 -14.187 -5.681 -3.401 1.00 2.37 C ATOM 0 H LEU A 9 -13.112 -1.131 -4.716 1.00 0.59 H new ATOM 0 HA LEU A 9 -11.581 -2.526 -2.780 1.00 0.73 H new ATOM 0 HB2 LEU A 9 -14.020 -2.862 -3.613 1.00 1.09 H new ATOM 0 HB3 LEU A 9 -13.330 -3.759 -4.951 1.00 1.09 H new ATOM 0 HG LEU A 9 -12.098 -5.186 -3.188 1.00 1.65 H new ATOM 0 HD11 LEU A 9 -13.122 -5.192 -0.931 1.00 1.96 H new ATOM 0 HD12 LEU A 9 -12.391 -3.611 -1.298 1.00 1.96 H new ATOM 0 HD13 LEU A 9 -14.155 -3.820 -1.396 1.00 1.96 H new ATOM 0 HD21 LEU A 9 -14.119 -6.569 -2.772 1.00 2.37 H new ATOM 0 HD22 LEU A 9 -15.152 -5.199 -3.246 1.00 2.37 H new ATOM 0 HD23 LEU A 9 -14.089 -5.970 -4.448 1.00 2.37 H new ATOM 153 N ASN A 10 -11.011 -3.572 -5.851 1.00 0.60 N ATOM 154 CA ASN A 10 -9.953 -4.249 -6.640 1.00 0.63 C ATOM 155 C ASN A 10 -8.700 -3.406 -6.762 1.00 0.57 C ATOM 156 O ASN A 10 -7.643 -3.948 -7.025 1.00 0.57 O ATOM 157 CB ASN A 10 -10.479 -4.607 -8.067 1.00 0.76 C ATOM 158 CG ASN A 10 -11.116 -3.434 -8.829 1.00 1.34 C ATOM 159 OD1 ASN A 10 -12.213 -3.548 -9.349 1.00 1.67 O ATOM 160 ND2 ASN A 10 -10.497 -2.294 -8.941 1.00 2.15 N ATOM 0 H ASN A 10 -11.881 -3.373 -6.344 1.00 0.60 H new ATOM 0 HA ASN A 10 -9.694 -5.161 -6.102 1.00 0.63 H new ATOM 0 HB2 ASN A 10 -9.651 -4.999 -8.657 1.00 0.76 H new ATOM 0 HB3 ASN A 10 -11.214 -5.407 -7.978 1.00 0.76 H new ATOM 0 HD21 ASN A 10 -10.931 -1.526 -9.453 1.00 2.15 H new ATOM 0 HD22 ASN A 10 -9.578 -2.169 -8.517 1.00 2.15 H new ATOM 167 N MET A 11 -8.805 -2.119 -6.577 1.00 0.60 N ATOM 168 CA MET A 11 -7.558 -1.315 -6.685 1.00 0.65 C ATOM 169 C MET A 11 -6.850 -1.342 -5.348 1.00 0.62 C ATOM 170 O MET A 11 -5.662 -1.111 -5.271 1.00 0.68 O ATOM 171 CB MET A 11 -7.860 0.139 -7.044 1.00 0.77 C ATOM 172 CG MET A 11 -8.233 0.208 -8.529 1.00 1.18 C ATOM 173 SD MET A 11 -7.149 -0.666 -9.686 1.00 1.98 S ATOM 174 CE MET A 11 -5.733 0.460 -9.630 1.00 2.42 C ATOM 0 H MET A 11 -9.661 -1.607 -6.365 1.00 0.60 H new ATOM 0 HA MET A 11 -6.938 -1.744 -7.472 1.00 0.65 H new ATOM 0 HB2 MET A 11 -8.677 0.518 -6.431 1.00 0.77 H new ATOM 0 HB3 MET A 11 -6.992 0.767 -6.842 1.00 0.77 H new ATOM 0 HG2 MET A 11 -9.242 -0.188 -8.644 1.00 1.18 H new ATOM 0 HG3 MET A 11 -8.267 1.257 -8.822 1.00 1.18 H new ATOM 0 HE1 MET A 11 -4.947 0.089 -10.288 1.00 2.42 H new ATOM 0 HE2 MET A 11 -6.043 1.452 -9.959 1.00 2.42 H new ATOM 0 HE3 MET A 11 -5.355 0.519 -8.609 1.00 2.42 H new ATOM 184 N ALA A 12 -7.577 -1.620 -4.308 1.00 0.58 N ATOM 185 CA ALA A 12 -6.894 -1.675 -2.992 1.00 0.62 C ATOM 186 C ALA A 12 -6.005 -2.884 -3.131 1.00 0.56 C ATOM 187 O ALA A 12 -4.840 -2.896 -2.791 1.00 0.57 O ATOM 188 CB ALA A 12 -7.887 -1.917 -1.869 1.00 0.67 C ATOM 0 H ALA A 12 -8.580 -1.806 -4.307 1.00 0.58 H new ATOM 0 HA ALA A 12 -6.369 -0.750 -2.752 1.00 0.62 H new ATOM 0 HB1 ALA A 12 -7.358 -1.952 -0.917 1.00 0.67 H new ATOM 0 HB2 ALA A 12 -8.617 -1.108 -1.848 1.00 0.67 H new ATOM 0 HB3 ALA A 12 -8.400 -2.864 -2.035 1.00 0.67 H new ATOM 194 N ARG A 13 -6.642 -3.887 -3.658 1.00 0.53 N ATOM 195 CA ARG A 13 -5.957 -5.175 -3.892 1.00 0.50 C ATOM 196 C ARG A 13 -4.776 -4.922 -4.829 1.00 0.49 C ATOM 197 O ARG A 13 -3.802 -5.647 -4.810 1.00 0.51 O ATOM 198 CB ARG A 13 -6.972 -6.123 -4.514 1.00 0.51 C ATOM 199 CG ARG A 13 -6.376 -7.503 -4.785 1.00 0.61 C ATOM 200 CD ARG A 13 -6.883 -7.949 -6.157 1.00 1.07 C ATOM 201 NE ARG A 13 -6.480 -6.916 -7.154 1.00 1.86 N ATOM 202 CZ ARG A 13 -5.446 -7.176 -7.917 1.00 2.52 C ATOM 203 NH1 ARG A 13 -4.247 -7.057 -7.387 1.00 3.08 N ATOM 204 NH2 ARG A 13 -5.666 -7.546 -9.161 1.00 3.15 N ATOM 0 H ARG A 13 -7.622 -3.865 -3.939 1.00 0.53 H new ATOM 0 HA ARG A 13 -5.575 -5.617 -2.972 1.00 0.50 H new ATOM 0 HB2 ARG A 13 -7.830 -6.223 -3.849 1.00 0.51 H new ATOM 0 HB3 ARG A 13 -7.341 -5.698 -5.447 1.00 0.51 H new ATOM 0 HG2 ARG A 13 -5.287 -7.462 -4.771 1.00 0.61 H new ATOM 0 HG3 ARG A 13 -6.678 -8.211 -4.014 1.00 0.61 H new ATOM 0 HD2 ARG A 13 -6.463 -8.919 -6.422 1.00 1.07 H new ATOM 0 HD3 ARG A 13 -7.967 -8.064 -6.144 1.00 1.07 H new ATOM 0 HE ARG A 13 -6.991 -6.037 -7.239 1.00 1.86 H new ATOM 0 HH11 ARG A 13 -4.146 -6.771 -6.413 1.00 3.08 H new ATOM 0 HH12 ARG A 13 -3.419 -7.251 -7.950 1.00 3.08 H new ATOM 0 HH21 ARG A 13 -6.622 -7.624 -9.508 1.00 3.15 H new ATOM 0 HH22 ARG A 13 -4.881 -7.755 -9.777 1.00 3.15 H new ATOM 218 N PHE A 14 -4.868 -3.909 -5.640 1.00 0.52 N ATOM 219 CA PHE A 14 -3.718 -3.653 -6.547 1.00 0.54 C ATOM 220 C PHE A 14 -2.535 -3.266 -5.689 1.00 0.57 C ATOM 221 O PHE A 14 -1.459 -3.809 -5.836 1.00 0.59 O ATOM 222 CB PHE A 14 -4.004 -2.498 -7.509 1.00 0.62 C ATOM 223 CG PHE A 14 -2.715 -2.173 -8.267 1.00 1.17 C ATOM 224 CD1 PHE A 14 -2.144 -3.088 -9.129 1.00 1.81 C ATOM 225 CD2 PHE A 14 -2.108 -0.944 -8.090 1.00 2.02 C ATOM 226 CE1 PHE A 14 -0.981 -2.778 -9.804 1.00 2.50 C ATOM 227 CE2 PHE A 14 -0.946 -0.633 -8.764 1.00 2.69 C ATOM 228 CZ PHE A 14 -0.383 -1.550 -9.623 1.00 2.71 C ATOM 0 H PHE A 14 -5.658 -3.268 -5.715 1.00 0.52 H new ATOM 0 HA PHE A 14 -3.528 -4.551 -7.135 1.00 0.54 H new ATOM 0 HB2 PHE A 14 -4.796 -2.772 -8.206 1.00 0.62 H new ATOM 0 HB3 PHE A 14 -4.352 -1.623 -6.959 1.00 0.62 H new ATOM 0 HD1 PHE A 14 -2.610 -4.051 -9.276 1.00 1.81 H new ATOM 0 HD2 PHE A 14 -2.547 -0.221 -7.418 1.00 2.02 H new ATOM 0 HE1 PHE A 14 -0.539 -3.499 -10.475 1.00 2.50 H new ATOM 0 HE2 PHE A 14 -0.478 0.329 -8.618 1.00 2.69 H new ATOM 0 HZ PHE A 14 0.526 -1.307 -10.154 1.00 2.71 H new ATOM 238 N ILE A 15 -2.769 -2.339 -4.807 1.00 0.58 N ATOM 239 CA ILE A 15 -1.658 -1.894 -3.937 1.00 0.63 C ATOM 240 C ILE A 15 -1.126 -3.106 -3.190 1.00 0.59 C ATOM 241 O ILE A 15 0.064 -3.249 -2.991 1.00 0.62 O ATOM 242 CB ILE A 15 -2.186 -0.837 -2.952 1.00 0.69 C ATOM 243 CG1 ILE A 15 -2.794 0.320 -3.780 1.00 0.79 C ATOM 244 CG2 ILE A 15 -0.996 -0.312 -2.139 1.00 0.82 C ATOM 245 CD1 ILE A 15 -3.322 1.425 -2.853 1.00 0.93 C ATOM 0 H ILE A 15 -3.666 -1.879 -4.654 1.00 0.58 H new ATOM 0 HA ILE A 15 -0.854 -1.450 -4.524 1.00 0.63 H new ATOM 0 HB ILE A 15 -2.939 -1.255 -2.283 1.00 0.69 H new ATOM 0 HG12 ILE A 15 -2.040 0.730 -4.451 1.00 0.79 H new ATOM 0 HG13 ILE A 15 -3.604 -0.058 -4.404 1.00 0.79 H new ATOM 0 HG21 ILE A 15 -1.343 0.441 -1.431 1.00 0.82 H new ATOM 0 HG22 ILE A 15 -0.535 -1.136 -1.595 1.00 0.82 H new ATOM 0 HG23 ILE A 15 -0.264 0.133 -2.812 1.00 0.82 H new ATOM 0 HD11 ILE A 15 -3.746 2.231 -3.452 1.00 0.93 H new ATOM 0 HD12 ILE A 15 -4.092 1.015 -2.200 1.00 0.93 H new ATOM 0 HD13 ILE A 15 -2.503 1.815 -2.248 1.00 0.93 H new ATOM 257 N ARG A 16 -2.026 -3.958 -2.792 1.00 0.58 N ATOM 258 CA ARG A 16 -1.577 -5.166 -2.059 1.00 0.58 C ATOM 259 C ARG A 16 -0.567 -5.890 -2.943 1.00 0.55 C ATOM 260 O ARG A 16 0.467 -6.336 -2.486 1.00 0.56 O ATOM 261 CB ARG A 16 -2.798 -6.065 -1.776 1.00 0.60 C ATOM 262 CG ARG A 16 -2.343 -7.341 -1.088 1.00 0.82 C ATOM 263 CD ARG A 16 -3.559 -8.220 -0.772 1.00 1.04 C ATOM 264 NE ARG A 16 -3.100 -9.408 0.000 1.00 1.57 N ATOM 265 CZ ARG A 16 -3.615 -9.588 1.194 1.00 2.08 C ATOM 266 NH1 ARG A 16 -4.806 -10.134 1.283 1.00 2.68 N ATOM 267 NH2 ARG A 16 -2.917 -9.205 2.240 1.00 2.60 N ATOM 0 H ARG A 16 -3.032 -3.873 -2.939 1.00 0.58 H new ATOM 0 HA ARG A 16 -1.115 -4.906 -1.107 1.00 0.58 H new ATOM 0 HB2 ARG A 16 -3.514 -5.536 -1.147 1.00 0.60 H new ATOM 0 HB3 ARG A 16 -3.309 -6.305 -2.708 1.00 0.60 H new ATOM 0 HG2 ARG A 16 -1.647 -7.883 -1.729 1.00 0.82 H new ATOM 0 HG3 ARG A 16 -1.808 -7.099 -0.169 1.00 0.82 H new ATOM 0 HD2 ARG A 16 -4.294 -7.656 -0.197 1.00 1.04 H new ATOM 0 HD3 ARG A 16 -4.048 -8.534 -1.694 1.00 1.04 H new ATOM 0 HE ARG A 16 -2.412 -10.056 -0.384 1.00 1.57 H new ATOM 0 HH11 ARG A 16 -5.307 -10.406 0.437 1.00 2.68 H new ATOM 0 HH12 ARG A 16 -5.230 -10.286 2.198 1.00 2.68 H new ATOM 0 HH21 ARG A 16 -1.999 -8.780 2.112 1.00 2.60 H new ATOM 0 HH22 ARG A 16 -3.294 -9.333 3.179 1.00 2.60 H new ATOM 281 N SER A 17 -0.892 -5.982 -4.198 1.00 0.57 N ATOM 282 CA SER A 17 0.026 -6.689 -5.120 1.00 0.60 C ATOM 283 C SER A 17 1.365 -5.958 -5.215 1.00 0.56 C ATOM 284 O SER A 17 2.409 -6.575 -5.186 1.00 0.55 O ATOM 285 CB SER A 17 -0.628 -6.756 -6.491 1.00 0.68 C ATOM 286 OG SER A 17 -1.943 -7.220 -6.210 1.00 0.72 O ATOM 0 H SER A 17 -1.741 -5.604 -4.619 1.00 0.57 H new ATOM 0 HA SER A 17 0.218 -7.694 -4.744 1.00 0.60 H new ATOM 0 HB2 SER A 17 -0.642 -5.780 -6.977 1.00 0.68 H new ATOM 0 HB3 SER A 17 -0.096 -7.436 -7.156 1.00 0.68 H new ATOM 0 HG SER A 17 -2.045 -8.136 -6.544 1.00 0.72 H new ATOM 292 N GLN A 18 1.314 -4.663 -5.325 1.00 0.57 N ATOM 293 CA GLN A 18 2.593 -3.922 -5.440 1.00 0.57 C ATOM 294 C GLN A 18 3.480 -4.257 -4.258 1.00 0.51 C ATOM 295 O GLN A 18 4.641 -4.575 -4.413 1.00 0.51 O ATOM 296 CB GLN A 18 2.336 -2.427 -5.443 1.00 0.65 C ATOM 297 CG GLN A 18 1.410 -2.070 -6.591 1.00 0.91 C ATOM 298 CD GLN A 18 1.270 -0.556 -6.545 1.00 1.11 C ATOM 299 OE1 GLN A 18 0.341 -0.029 -5.965 1.00 1.80 O ATOM 300 NE2 GLN A 18 2.171 0.175 -7.140 1.00 1.05 N ATOM 0 H GLN A 18 0.465 -4.098 -5.340 1.00 0.57 H new ATOM 0 HA GLN A 18 3.080 -4.210 -6.372 1.00 0.57 H new ATOM 0 HB2 GLN A 18 1.891 -2.123 -4.496 1.00 0.65 H new ATOM 0 HB3 GLN A 18 3.277 -1.887 -5.541 1.00 0.65 H new ATOM 0 HG2 GLN A 18 1.824 -2.397 -7.545 1.00 0.91 H new ATOM 0 HG3 GLN A 18 0.441 -2.557 -6.480 1.00 0.91 H new ATOM 0 HE21 GLN A 18 2.949 -0.270 -7.626 1.00 1.05 H new ATOM 0 HE22 GLN A 18 2.097 1.192 -7.120 1.00 1.05 H new ATOM 309 N THR A 19 2.891 -4.177 -3.105 1.00 0.48 N ATOM 310 CA THR A 19 3.654 -4.467 -1.880 1.00 0.44 C ATOM 311 C THR A 19 4.267 -5.866 -1.927 1.00 0.43 C ATOM 312 O THR A 19 5.357 -6.078 -1.436 1.00 0.46 O ATOM 313 CB THR A 19 2.682 -4.310 -0.737 1.00 0.46 C ATOM 314 OG1 THR A 19 2.076 -3.056 -1.026 1.00 0.56 O ATOM 315 CG2 THR A 19 3.446 -4.095 0.569 1.00 0.48 C ATOM 0 H THR A 19 1.913 -3.923 -2.963 1.00 0.48 H new ATOM 0 HA THR A 19 4.497 -3.786 -1.763 1.00 0.44 H new ATOM 0 HB THR A 19 2.013 -5.165 -0.638 1.00 0.46 H new ATOM 0 HG1 THR A 19 1.412 -2.847 -0.336 1.00 0.56 H new ATOM 0 HG21 THR A 19 2.738 -3.982 1.390 1.00 0.48 H new ATOM 0 HG22 THR A 19 4.089 -4.954 0.760 1.00 0.48 H new ATOM 0 HG23 THR A 19 4.056 -3.195 0.490 1.00 0.48 H new ATOM 323 N LEU A 20 3.561 -6.787 -2.517 1.00 0.45 N ATOM 324 CA LEU A 20 4.121 -8.160 -2.574 1.00 0.51 C ATOM 325 C LEU A 20 5.428 -8.068 -3.342 1.00 0.53 C ATOM 326 O LEU A 20 6.442 -8.612 -2.953 1.00 0.57 O ATOM 327 CB LEU A 20 3.147 -9.080 -3.311 1.00 0.57 C ATOM 328 CG LEU A 20 3.674 -10.527 -3.357 1.00 0.69 C ATOM 329 CD1 LEU A 20 3.799 -11.109 -1.934 1.00 1.31 C ATOM 330 CD2 LEU A 20 2.683 -11.375 -4.168 1.00 1.25 C ATOM 0 H LEU A 20 2.647 -6.655 -2.950 1.00 0.45 H new ATOM 0 HA LEU A 20 4.283 -8.564 -1.575 1.00 0.51 H new ATOM 0 HB2 LEU A 20 2.177 -9.059 -2.815 1.00 0.57 H new ATOM 0 HB3 LEU A 20 2.994 -8.714 -4.326 1.00 0.57 H new ATOM 0 HG LEU A 20 4.661 -10.538 -3.819 1.00 0.69 H new ATOM 0 HD11 LEU A 20 4.173 -12.131 -1.991 1.00 1.31 H new ATOM 0 HD12 LEU A 20 4.492 -10.501 -1.352 1.00 1.31 H new ATOM 0 HD13 LEU A 20 2.821 -11.106 -1.453 1.00 1.31 H new ATOM 0 HD21 LEU A 20 3.037 -12.405 -4.213 1.00 1.25 H new ATOM 0 HD22 LEU A 20 1.704 -11.349 -3.689 1.00 1.25 H new ATOM 0 HD23 LEU A 20 2.603 -10.974 -5.178 1.00 1.25 H new ATOM 342 N THR A 21 5.353 -7.365 -4.429 1.00 0.59 N ATOM 343 CA THR A 21 6.558 -7.210 -5.264 1.00 0.70 C ATOM 344 C THR A 21 7.655 -6.562 -4.417 1.00 0.63 C ATOM 345 O THR A 21 8.819 -6.892 -4.540 1.00 0.69 O ATOM 346 CB THR A 21 6.171 -6.342 -6.441 1.00 0.85 C ATOM 347 OG1 THR A 21 4.817 -6.719 -6.668 1.00 0.87 O ATOM 348 CG2 THR A 21 6.907 -6.802 -7.711 1.00 1.02 C ATOM 0 H THR A 21 4.515 -6.895 -4.771 1.00 0.59 H new ATOM 0 HA THR A 21 6.939 -8.164 -5.630 1.00 0.70 H new ATOM 0 HB THR A 21 6.372 -5.288 -6.249 1.00 0.85 H new ATOM 0 HG1 THR A 21 4.457 -6.208 -7.423 1.00 0.87 H new ATOM 0 HG21 THR A 21 6.618 -6.168 -8.549 1.00 1.02 H new ATOM 0 HG22 THR A 21 7.983 -6.729 -7.555 1.00 1.02 H new ATOM 0 HG23 THR A 21 6.642 -7.836 -7.931 1.00 1.02 H new ATOM 356 N LEU A 22 7.272 -5.649 -3.569 1.00 0.54 N ATOM 357 CA LEU A 22 8.326 -5.004 -2.749 1.00 0.52 C ATOM 358 C LEU A 22 9.006 -6.058 -1.910 1.00 0.45 C ATOM 359 O LEU A 22 10.214 -6.068 -1.838 1.00 0.49 O ATOM 360 CB LEU A 22 7.755 -3.959 -1.787 1.00 0.59 C ATOM 361 CG LEU A 22 7.065 -2.804 -2.538 1.00 0.89 C ATOM 362 CD1 LEU A 22 6.568 -1.794 -1.493 1.00 1.71 C ATOM 363 CD2 LEU A 22 8.055 -2.090 -3.479 1.00 1.25 C ATOM 0 H LEU A 22 6.315 -5.333 -3.413 1.00 0.54 H new ATOM 0 HA LEU A 22 9.015 -4.513 -3.436 1.00 0.52 H new ATOM 0 HB2 LEU A 22 7.039 -4.435 -1.117 1.00 0.59 H new ATOM 0 HB3 LEU A 22 8.557 -3.560 -1.166 1.00 0.59 H new ATOM 0 HG LEU A 22 6.244 -3.202 -3.135 1.00 0.89 H new ATOM 0 HD11 LEU A 22 6.074 -0.963 -1.996 1.00 1.71 H new ATOM 0 HD12 LEU A 22 5.862 -2.283 -0.821 1.00 1.71 H new ATOM 0 HD13 LEU A 22 7.415 -1.418 -0.919 1.00 1.71 H new ATOM 0 HD21 LEU A 22 7.544 -1.279 -3.997 1.00 1.25 H new ATOM 0 HD22 LEU A 22 8.882 -1.684 -2.897 1.00 1.25 H new ATOM 0 HD23 LEU A 22 8.440 -2.801 -4.209 1.00 1.25 H new ATOM 375 N LEU A 23 8.226 -6.913 -1.309 1.00 0.43 N ATOM 376 CA LEU A 23 8.831 -7.969 -0.451 1.00 0.44 C ATOM 377 C LEU A 23 9.939 -8.651 -1.230 1.00 0.48 C ATOM 378 O LEU A 23 11.018 -8.881 -0.724 1.00 0.52 O ATOM 379 CB LEU A 23 7.790 -9.026 -0.074 1.00 0.53 C ATOM 380 CG LEU A 23 8.398 -10.025 0.939 1.00 0.73 C ATOM 381 CD1 LEU A 23 8.525 -9.359 2.322 1.00 1.08 C ATOM 382 CD2 LEU A 23 7.512 -11.278 1.024 1.00 1.05 C ATOM 0 H LEU A 23 7.208 -6.927 -1.373 1.00 0.43 H new ATOM 0 HA LEU A 23 9.214 -7.505 0.458 1.00 0.44 H new ATOM 0 HB2 LEU A 23 6.911 -8.546 0.358 1.00 0.53 H new ATOM 0 HB3 LEU A 23 7.458 -9.556 -0.966 1.00 0.53 H new ATOM 0 HG LEU A 23 9.393 -10.320 0.604 1.00 0.73 H new ATOM 0 HD11 LEU A 23 8.954 -10.069 3.030 1.00 1.08 H new ATOM 0 HD12 LEU A 23 9.172 -8.485 2.247 1.00 1.08 H new ATOM 0 HD13 LEU A 23 7.539 -9.051 2.670 1.00 1.08 H new ATOM 0 HD21 LEU A 23 7.942 -11.980 1.738 1.00 1.05 H new ATOM 0 HD22 LEU A 23 6.512 -10.995 1.351 1.00 1.05 H new ATOM 0 HD23 LEU A 23 7.453 -11.749 0.043 1.00 1.05 H new ATOM 394 N GLU A 24 9.632 -8.957 -2.456 1.00 0.57 N ATOM 395 CA GLU A 24 10.642 -9.640 -3.297 1.00 0.71 C ATOM 396 C GLU A 24 11.890 -8.769 -3.378 1.00 0.67 C ATOM 397 O GLU A 24 12.999 -9.248 -3.280 1.00 0.69 O ATOM 398 CB GLU A 24 10.089 -9.839 -4.698 1.00 0.90 C ATOM 399 CG GLU A 24 11.053 -10.687 -5.531 1.00 1.37 C ATOM 400 CD GLU A 24 10.997 -10.195 -6.971 1.00 1.52 C ATOM 401 OE1 GLU A 24 9.954 -9.690 -7.341 1.00 1.83 O ATOM 402 OE2 GLU A 24 12.018 -10.343 -7.616 1.00 1.84 O ATOM 0 H GLU A 24 8.737 -8.766 -2.906 1.00 0.57 H new ATOM 0 HA GLU A 24 10.886 -10.608 -2.859 1.00 0.71 H new ATOM 0 HB2 GLU A 24 9.115 -10.327 -4.647 1.00 0.90 H new ATOM 0 HB3 GLU A 24 9.936 -8.872 -5.177 1.00 0.90 H new ATOM 0 HG2 GLU A 24 12.067 -10.604 -5.140 1.00 1.37 H new ATOM 0 HG3 GLU A 24 10.776 -11.740 -5.478 1.00 1.37 H new ATOM 409 N LYS A 25 11.710 -7.497 -3.561 1.00 0.67 N ATOM 410 CA LYS A 25 12.928 -6.654 -3.663 1.00 0.72 C ATOM 411 C LYS A 25 13.676 -6.656 -2.347 1.00 0.68 C ATOM 412 O LYS A 25 14.890 -6.645 -2.319 1.00 0.75 O ATOM 413 CB LYS A 25 12.548 -5.228 -4.015 1.00 0.81 C ATOM 414 CG LYS A 25 11.646 -5.177 -5.276 1.00 0.95 C ATOM 415 CD LYS A 25 12.306 -5.756 -6.554 1.00 1.36 C ATOM 416 CE LYS A 25 11.949 -7.255 -6.757 1.00 1.57 C ATOM 417 NZ LYS A 25 13.037 -8.174 -6.321 1.00 1.86 N ATOM 0 H LYS A 25 10.813 -7.018 -3.642 1.00 0.67 H new ATOM 0 HA LYS A 25 13.567 -7.065 -4.445 1.00 0.72 H new ATOM 0 HB2 LYS A 25 12.026 -4.771 -3.174 1.00 0.81 H new ATOM 0 HB3 LYS A 25 13.450 -4.641 -4.187 1.00 0.81 H new ATOM 0 HG2 LYS A 25 10.727 -5.727 -5.074 1.00 0.95 H new ATOM 0 HG3 LYS A 25 11.362 -4.142 -5.464 1.00 0.95 H new ATOM 0 HD2 LYS A 25 11.981 -5.184 -7.423 1.00 1.36 H new ATOM 0 HD3 LYS A 25 13.388 -5.646 -6.487 1.00 1.36 H new ATOM 0 HE2 LYS A 25 11.041 -7.486 -6.200 1.00 1.57 H new ATOM 0 HE3 LYS A 25 11.731 -7.432 -7.810 1.00 1.57 H new ATOM 0 HZ1 LYS A 25 13.166 -8.922 -7.032 1.00 1.86 H new ATOM 0 HZ2 LYS A 25 13.923 -7.639 -6.217 1.00 1.86 H new ATOM 0 HZ3 LYS A 25 12.783 -8.604 -5.409 1.00 1.86 H new ATOM 431 N LEU A 26 12.947 -6.672 -1.275 1.00 0.65 N ATOM 432 CA LEU A 26 13.647 -6.678 0.028 1.00 0.67 C ATOM 433 C LEU A 26 14.294 -8.025 0.197 1.00 0.65 C ATOM 434 O LEU A 26 15.232 -8.168 0.952 1.00 0.73 O ATOM 435 CB LEU A 26 12.679 -6.481 1.170 1.00 0.68 C ATOM 436 CG LEU A 26 12.351 -4.993 1.364 1.00 0.80 C ATOM 437 CD1 LEU A 26 11.627 -4.367 0.166 1.00 1.21 C ATOM 438 CD2 LEU A 26 11.431 -4.939 2.559 1.00 1.22 C ATOM 0 H LEU A 26 11.928 -6.681 -1.242 1.00 0.65 H new ATOM 0 HA LEU A 26 14.376 -5.867 0.041 1.00 0.67 H new ATOM 0 HB2 LEU A 26 11.762 -7.037 0.974 1.00 0.68 H new ATOM 0 HB3 LEU A 26 13.107 -6.885 2.088 1.00 0.68 H new ATOM 0 HG LEU A 26 13.278 -4.433 1.488 1.00 0.80 H new ATOM 0 HD11 LEU A 26 11.426 -3.315 0.371 1.00 1.21 H new ATOM 0 HD12 LEU A 26 12.254 -4.450 -0.722 1.00 1.21 H new ATOM 0 HD13 LEU A 26 10.686 -4.890 -0.004 1.00 1.21 H new ATOM 0 HD21 LEU A 26 11.154 -3.904 2.758 1.00 1.22 H new ATOM 0 HD22 LEU A 26 10.533 -5.522 2.354 1.00 1.22 H new ATOM 0 HD23 LEU A 26 11.941 -5.352 3.429 1.00 1.22 H new ATOM 450 N ASN A 27 13.774 -8.986 -0.508 1.00 0.60 N ATOM 451 CA ASN A 27 14.368 -10.337 -0.377 1.00 0.66 C ATOM 452 C ASN A 27 15.777 -10.238 -0.903 1.00 0.68 C ATOM 453 O ASN A 27 16.673 -10.882 -0.402 1.00 0.79 O ATOM 454 CB ASN A 27 13.615 -11.355 -1.213 1.00 0.76 C ATOM 455 CG ASN A 27 14.192 -12.729 -0.881 1.00 1.02 C ATOM 456 OD1 ASN A 27 14.797 -13.382 -1.707 1.00 1.70 O ATOM 457 ND2 ASN A 27 14.024 -13.204 0.324 1.00 1.70 N ATOM 0 H ASN A 27 12.987 -8.899 -1.151 1.00 0.60 H new ATOM 0 HA ASN A 27 14.328 -10.660 0.663 1.00 0.66 H new ATOM 0 HB2 ASN A 27 12.548 -11.322 -0.991 1.00 0.76 H new ATOM 0 HB3 ASN A 27 13.726 -11.138 -2.275 1.00 0.76 H new ATOM 0 HD21 ASN A 27 14.400 -14.120 0.568 1.00 1.70 H new ATOM 0 HD22 ASN A 27 13.516 -12.659 1.021 1.00 1.70 H new ATOM 464 N GLU A 28 15.934 -9.422 -1.908 1.00 0.70 N ATOM 465 CA GLU A 28 17.291 -9.267 -2.484 1.00 0.83 C ATOM 466 C GLU A 28 18.212 -8.739 -1.392 1.00 0.86 C ATOM 467 O GLU A 28 19.253 -9.300 -1.121 1.00 0.97 O ATOM 468 CB GLU A 28 17.273 -8.260 -3.637 1.00 1.00 C ATOM 469 CG GLU A 28 16.254 -8.666 -4.695 1.00 1.12 C ATOM 470 CD GLU A 28 16.312 -7.593 -5.766 1.00 1.86 C ATOM 471 OE1 GLU A 28 15.619 -6.612 -5.586 1.00 2.24 O ATOM 472 OE2 GLU A 28 17.049 -7.783 -6.711 1.00 2.61 O ATOM 0 H GLU A 28 15.197 -8.868 -2.345 1.00 0.70 H new ATOM 0 HA GLU A 28 17.636 -10.230 -2.861 1.00 0.83 H new ATOM 0 HB2 GLU A 28 17.032 -7.268 -3.255 1.00 1.00 H new ATOM 0 HB3 GLU A 28 18.264 -8.197 -4.086 1.00 1.00 H new ATOM 0 HG2 GLU A 28 16.492 -9.645 -5.111 1.00 1.12 H new ATOM 0 HG3 GLU A 28 15.254 -8.736 -4.267 1.00 1.12 H new ATOM 479 N LEU A 29 17.800 -7.657 -0.797 1.00 0.84 N ATOM 480 CA LEU A 29 18.638 -7.051 0.273 1.00 0.98 C ATOM 481 C LEU A 29 18.301 -7.597 1.649 1.00 1.03 C ATOM 482 O LEU A 29 18.527 -6.905 2.623 1.00 1.19 O ATOM 483 CB LEU A 29 18.449 -5.524 0.279 1.00 1.02 C ATOM 484 CG LEU A 29 19.282 -4.870 -0.845 1.00 1.07 C ATOM 485 CD1 LEU A 29 18.816 -5.291 -2.248 1.00 1.79 C ATOM 486 CD2 LEU A 29 19.169 -3.352 -0.714 1.00 1.43 C ATOM 0 H LEU A 29 16.928 -7.169 -1.002 1.00 0.84 H new ATOM 0 HA LEU A 29 19.674 -7.308 0.055 1.00 0.98 H new ATOM 0 HB2 LEU A 29 17.395 -5.282 0.146 1.00 1.02 H new ATOM 0 HB3 LEU A 29 18.750 -5.118 1.245 1.00 1.02 H new ATOM 0 HG LEU A 29 20.314 -5.203 -0.733 1.00 1.07 H new ATOM 0 HD11 LEU A 29 19.436 -4.802 -2.999 1.00 1.79 H new ATOM 0 HD12 LEU A 29 18.905 -6.372 -2.352 1.00 1.79 H new ATOM 0 HD13 LEU A 29 17.776 -4.998 -2.389 1.00 1.79 H new ATOM 0 HD21 LEU A 29 19.752 -2.874 -1.501 1.00 1.43 H new ATOM 0 HD22 LEU A 29 18.124 -3.056 -0.806 1.00 1.43 H new ATOM 0 HD23 LEU A 29 19.550 -3.041 0.259 1.00 1.43 H new ATOM 498 N ASP A 30 17.778 -8.796 1.675 1.00 0.98 N ATOM 499 CA ASP A 30 17.385 -9.497 2.941 1.00 1.11 C ATOM 500 C ASP A 30 16.874 -8.543 4.004 1.00 1.16 C ATOM 501 O ASP A 30 17.050 -8.785 5.178 1.00 1.63 O ATOM 502 CB ASP A 30 18.584 -10.277 3.553 1.00 1.35 C ATOM 503 CG ASP A 30 19.685 -9.344 4.070 1.00 1.82 C ATOM 504 OD1 ASP A 30 20.429 -8.845 3.245 1.00 2.23 O ATOM 505 OD2 ASP A 30 19.746 -9.157 5.274 1.00 2.45 O ATOM 0 H ASP A 30 17.599 -9.343 0.833 1.00 0.98 H new ATOM 0 HA ASP A 30 16.586 -10.180 2.654 1.00 1.11 H new ATOM 0 HB2 ASP A 30 18.227 -10.902 4.371 1.00 1.35 H new ATOM 0 HB3 ASP A 30 19.002 -10.945 2.800 1.00 1.35 H new ATOM 510 N ALA A 31 16.247 -7.484 3.580 1.00 0.84 N ATOM 511 CA ALA A 31 15.739 -6.498 4.573 1.00 0.87 C ATOM 512 C ALA A 31 14.602 -7.115 5.356 1.00 0.76 C ATOM 513 O ALA A 31 13.455 -6.943 5.000 1.00 0.75 O ATOM 514 CB ALA A 31 15.231 -5.249 3.868 1.00 0.89 C ATOM 0 H ALA A 31 16.065 -7.259 2.602 1.00 0.84 H new ATOM 0 HA ALA A 31 16.554 -6.225 5.243 1.00 0.87 H new ATOM 0 HB1 ALA A 31 14.863 -4.538 4.608 1.00 0.89 H new ATOM 0 HB2 ALA A 31 16.044 -4.795 3.301 1.00 0.89 H new ATOM 0 HB3 ALA A 31 14.422 -5.518 3.189 1.00 0.89 H new ATOM 520 N ASP A 32 14.967 -7.810 6.393 1.00 0.85 N ATOM 521 CA ASP A 32 13.969 -8.490 7.259 1.00 0.87 C ATOM 522 C ASP A 32 13.040 -7.492 7.891 1.00 0.79 C ATOM 523 O ASP A 32 11.838 -7.606 7.811 1.00 0.74 O ATOM 524 CB ASP A 32 14.648 -9.238 8.378 1.00 1.11 C ATOM 525 CG ASP A 32 13.542 -9.676 9.331 1.00 2.05 C ATOM 526 OD1 ASP A 32 12.746 -10.486 8.886 1.00 2.57 O ATOM 527 OD2 ASP A 32 13.561 -9.175 10.441 1.00 2.83 O ATOM 0 H ASP A 32 15.937 -7.938 6.683 1.00 0.85 H new ATOM 0 HA ASP A 32 13.415 -9.178 6.621 1.00 0.87 H new ATOM 0 HB2 ASP A 32 15.195 -10.099 7.994 1.00 1.11 H new ATOM 0 HB3 ASP A 32 15.372 -8.602 8.888 1.00 1.11 H new ATOM 532 N GLU A 33 13.643 -6.529 8.514 1.00 0.86 N ATOM 533 CA GLU A 33 12.840 -5.480 9.186 1.00 0.90 C ATOM 534 C GLU A 33 11.786 -4.944 8.243 1.00 0.78 C ATOM 535 O GLU A 33 10.602 -4.967 8.507 1.00 0.79 O ATOM 536 CB GLU A 33 13.725 -4.291 9.620 1.00 1.07 C ATOM 537 CG GLU A 33 15.233 -4.560 9.418 1.00 1.58 C ATOM 538 CD GLU A 33 15.582 -4.636 7.929 1.00 1.74 C ATOM 539 OE1 GLU A 33 15.140 -3.772 7.192 1.00 2.15 O ATOM 540 OE2 GLU A 33 16.286 -5.574 7.606 1.00 2.11 O ATOM 0 H GLU A 33 14.655 -6.421 8.588 1.00 0.86 H new ATOM 0 HA GLU A 33 12.380 -5.938 10.062 1.00 0.90 H new ATOM 0 HB2 GLU A 33 13.440 -3.406 9.052 1.00 1.07 H new ATOM 0 HB3 GLU A 33 13.538 -4.070 10.671 1.00 1.07 H new ATOM 0 HG2 GLU A 33 15.814 -3.768 9.891 1.00 1.58 H new ATOM 0 HG3 GLU A 33 15.508 -5.494 9.908 1.00 1.58 H new ATOM 547 N GLN A 34 12.251 -4.463 7.135 1.00 0.71 N ATOM 548 CA GLN A 34 11.281 -3.901 6.179 1.00 0.67 C ATOM 549 C GLN A 34 10.490 -5.008 5.531 1.00 0.57 C ATOM 550 O GLN A 34 9.475 -4.742 4.923 1.00 0.53 O ATOM 551 CB GLN A 34 12.040 -3.112 5.145 1.00 0.72 C ATOM 552 CG GLN A 34 12.714 -1.966 5.853 1.00 0.88 C ATOM 553 CD GLN A 34 13.668 -1.354 4.845 1.00 1.49 C ATOM 554 OE1 GLN A 34 13.249 -0.691 3.919 1.00 2.26 O ATOM 555 NE2 GLN A 34 14.945 -1.557 4.990 1.00 1.80 N ATOM 0 H GLN A 34 13.232 -4.435 6.856 1.00 0.71 H new ATOM 0 HA GLN A 34 10.578 -3.248 6.695 1.00 0.67 H new ATOM 0 HB2 GLN A 34 12.777 -3.742 4.648 1.00 0.72 H new ATOM 0 HB3 GLN A 34 11.365 -2.742 4.374 1.00 0.72 H new ATOM 0 HG2 GLN A 34 11.982 -1.233 6.193 1.00 0.88 H new ATOM 0 HG3 GLN A 34 13.250 -2.314 6.736 1.00 0.88 H new ATOM 0 HE21 GLN A 34 15.287 -2.116 5.772 1.00 1.80 H new ATOM 0 HE22 GLN A 34 15.604 -1.157 4.322 1.00 1.80 H new ATOM 564 N ALA A 35 10.952 -6.219 5.652 1.00 0.58 N ATOM 565 CA ALA A 35 10.169 -7.312 5.029 1.00 0.56 C ATOM 566 C ALA A 35 8.916 -7.367 5.856 1.00 0.56 C ATOM 567 O ALA A 35 7.837 -7.488 5.317 1.00 0.54 O ATOM 568 CB ALA A 35 10.869 -8.671 5.129 1.00 0.65 C ATOM 0 H ALA A 35 11.807 -6.492 6.137 1.00 0.58 H new ATOM 0 HA ALA A 35 10.014 -7.121 3.967 1.00 0.56 H new ATOM 0 HB1 ALA A 35 10.251 -9.434 4.657 1.00 0.65 H new ATOM 0 HB2 ALA A 35 11.834 -8.621 4.624 1.00 0.65 H new ATOM 0 HB3 ALA A 35 11.021 -8.925 6.178 1.00 0.65 H new ATOM 574 N ASP A 36 9.086 -7.273 7.147 1.00 0.62 N ATOM 575 CA ASP A 36 7.873 -7.317 8.002 1.00 0.67 C ATOM 576 C ASP A 36 6.981 -6.195 7.585 1.00 0.60 C ATOM 577 O ASP A 36 5.825 -6.385 7.280 1.00 0.62 O ATOM 578 CB ASP A 36 8.154 -7.078 9.463 1.00 0.79 C ATOM 579 CG ASP A 36 6.789 -6.739 10.065 1.00 1.21 C ATOM 580 OD1 ASP A 36 5.986 -7.653 10.120 1.00 1.65 O ATOM 581 OD2 ASP A 36 6.620 -5.588 10.430 1.00 1.67 O ATOM 0 H ASP A 36 9.978 -7.171 7.630 1.00 0.62 H new ATOM 0 HA ASP A 36 7.443 -8.311 7.881 1.00 0.67 H new ATOM 0 HB2 ASP A 36 8.587 -7.961 9.933 1.00 0.79 H new ATOM 0 HB3 ASP A 36 8.863 -6.262 9.603 1.00 0.79 H new ATOM 586 N ILE A 37 7.558 -5.033 7.582 1.00 0.55 N ATOM 587 CA ILE A 37 6.749 -3.859 7.193 1.00 0.52 C ATOM 588 C ILE A 37 6.080 -4.123 5.850 1.00 0.47 C ATOM 589 O ILE A 37 4.972 -3.684 5.628 1.00 0.50 O ATOM 590 CB ILE A 37 7.663 -2.621 7.103 1.00 0.53 C ATOM 591 CG1 ILE A 37 8.347 -2.447 8.478 1.00 0.68 C ATOM 592 CG2 ILE A 37 6.806 -1.376 6.797 1.00 0.57 C ATOM 593 CD1 ILE A 37 9.259 -1.211 8.477 1.00 1.12 C ATOM 0 H ILE A 37 8.531 -4.848 7.826 1.00 0.55 H new ATOM 0 HA ILE A 37 5.976 -3.678 7.939 1.00 0.52 H new ATOM 0 HB ILE A 37 8.406 -2.744 6.315 1.00 0.53 H new ATOM 0 HG12 ILE A 37 7.590 -2.346 9.256 1.00 0.68 H new ATOM 0 HG13 ILE A 37 8.931 -3.336 8.714 1.00 0.68 H new ATOM 0 HG21 ILE A 37 7.449 -0.498 6.733 1.00 0.57 H new ATOM 0 HG22 ILE A 37 6.287 -1.516 5.849 1.00 0.57 H new ATOM 0 HG23 ILE A 37 6.075 -1.233 7.593 1.00 0.57 H new ATOM 0 HD11 ILE A 37 9.731 -1.106 9.454 1.00 1.12 H new ATOM 0 HD12 ILE A 37 10.028 -1.327 7.713 1.00 1.12 H new ATOM 0 HD13 ILE A 37 8.666 -0.322 8.263 1.00 1.12 H new ATOM 605 N CYS A 38 6.734 -4.827 4.974 1.00 0.45 N ATOM 606 CA CYS A 38 6.084 -5.068 3.662 1.00 0.47 C ATOM 607 C CYS A 38 4.912 -6.008 3.802 1.00 0.50 C ATOM 608 O CYS A 38 3.919 -5.812 3.139 1.00 0.57 O ATOM 609 CB CYS A 38 7.060 -5.684 2.665 1.00 0.48 C ATOM 610 SG CYS A 38 8.296 -4.581 1.939 1.00 0.70 S ATOM 0 H CYS A 38 7.660 -5.234 5.102 1.00 0.45 H new ATOM 0 HA CYS A 38 5.746 -4.097 3.299 1.00 0.47 H new ATOM 0 HB2 CYS A 38 7.584 -6.499 3.164 1.00 0.48 H new ATOM 0 HB3 CYS A 38 6.482 -6.126 1.854 1.00 0.48 H new ATOM 0 HG CYS A 38 8.602 -4.997 0.746 1.00 0.70 H new ATOM 616 N GLU A 39 5.026 -6.995 4.638 1.00 0.54 N ATOM 617 CA GLU A 39 3.881 -7.926 4.774 1.00 0.62 C ATOM 618 C GLU A 39 2.767 -7.219 5.509 1.00 0.58 C ATOM 619 O GLU A 39 1.620 -7.244 5.113 1.00 0.57 O ATOM 620 CB GLU A 39 4.341 -9.154 5.547 1.00 0.75 C ATOM 621 CG GLU A 39 5.478 -9.815 4.763 1.00 1.35 C ATOM 622 CD GLU A 39 4.918 -10.240 3.409 1.00 2.07 C ATOM 623 OE1 GLU A 39 4.373 -11.329 3.386 1.00 2.39 O ATOM 624 OE2 GLU A 39 5.062 -9.454 2.485 1.00 2.82 O ATOM 0 H GLU A 39 5.840 -7.195 5.219 1.00 0.54 H new ATOM 0 HA GLU A 39 3.516 -8.240 3.796 1.00 0.62 H new ATOM 0 HB2 GLU A 39 4.681 -8.871 6.543 1.00 0.75 H new ATOM 0 HB3 GLU A 39 3.514 -9.852 5.679 1.00 0.75 H new ATOM 0 HG2 GLU A 39 6.308 -9.120 4.633 1.00 1.35 H new ATOM 0 HG3 GLU A 39 5.866 -10.678 5.305 1.00 1.35 H new ATOM 631 N SER A 40 3.124 -6.593 6.580 1.00 0.63 N ATOM 632 CA SER A 40 2.104 -5.873 7.349 1.00 0.64 C ATOM 633 C SER A 40 1.474 -4.818 6.443 1.00 0.58 C ATOM 634 O SER A 40 0.297 -4.548 6.535 1.00 0.63 O ATOM 635 CB SER A 40 2.825 -5.279 8.546 1.00 0.72 C ATOM 636 OG SER A 40 3.468 -6.432 9.075 1.00 0.77 O ATOM 0 H SER A 40 4.073 -6.550 6.952 1.00 0.63 H new ATOM 0 HA SER A 40 1.291 -6.507 7.703 1.00 0.64 H new ATOM 0 HB2 SER A 40 3.537 -4.506 8.257 1.00 0.72 H new ATOM 0 HB3 SER A 40 2.136 -4.827 9.260 1.00 0.72 H new ATOM 0 HG SER A 40 3.983 -6.183 9.871 1.00 0.77 H new ATOM 642 N LEU A 41 2.265 -4.249 5.580 1.00 0.54 N ATOM 643 CA LEU A 41 1.728 -3.196 4.673 1.00 0.53 C ATOM 644 C LEU A 41 0.835 -3.859 3.637 1.00 0.50 C ATOM 645 O LEU A 41 -0.229 -3.382 3.306 1.00 0.55 O ATOM 646 CB LEU A 41 2.897 -2.493 3.974 1.00 0.56 C ATOM 647 CG LEU A 41 2.433 -1.300 3.121 1.00 0.63 C ATOM 648 CD1 LEU A 41 1.968 -0.170 4.048 1.00 1.05 C ATOM 649 CD2 LEU A 41 3.631 -0.784 2.311 1.00 1.22 C ATOM 0 H LEU A 41 3.255 -4.465 5.462 1.00 0.54 H new ATOM 0 HA LEU A 41 1.154 -2.463 5.240 1.00 0.53 H new ATOM 0 HB2 LEU A 41 3.610 -2.147 4.722 1.00 0.56 H new ATOM 0 HB3 LEU A 41 3.422 -3.208 3.340 1.00 0.56 H new ATOM 0 HG LEU A 41 1.621 -1.610 2.463 1.00 0.63 H new ATOM 0 HD11 LEU A 41 1.638 0.679 3.449 1.00 1.05 H new ATOM 0 HD12 LEU A 41 1.141 -0.522 4.665 1.00 1.05 H new ATOM 0 HD13 LEU A 41 2.794 0.138 4.689 1.00 1.05 H new ATOM 0 HD21 LEU A 41 3.319 0.063 1.700 1.00 1.22 H new ATOM 0 HD22 LEU A 41 4.422 -0.469 2.992 1.00 1.22 H new ATOM 0 HD23 LEU A 41 4.004 -1.579 1.666 1.00 1.22 H new ATOM 661 N HIS A 42 1.337 -4.959 3.167 1.00 0.50 N ATOM 662 CA HIS A 42 0.646 -5.769 2.127 1.00 0.53 C ATOM 663 C HIS A 42 -0.765 -6.036 2.586 1.00 0.55 C ATOM 664 O HIS A 42 -1.727 -5.809 1.880 1.00 0.63 O ATOM 665 CB HIS A 42 1.424 -7.082 1.954 1.00 0.54 C ATOM 666 CG HIS A 42 0.805 -8.069 0.960 1.00 0.60 C ATOM 667 ND1 HIS A 42 0.865 -8.013 -0.331 1.00 0.61 N ATOM 668 CD2 HIS A 42 0.077 -9.219 1.220 1.00 1.21 C ATOM 669 CE1 HIS A 42 0.238 -9.028 -0.835 1.00 0.64 C ATOM 670 NE2 HIS A 42 -0.268 -9.803 0.091 1.00 1.13 N ATOM 0 H HIS A 42 2.230 -5.346 3.470 1.00 0.50 H new ATOM 0 HA HIS A 42 0.609 -5.246 1.172 1.00 0.53 H new ATOM 0 HB2 HIS A 42 2.437 -6.847 1.628 1.00 0.54 H new ATOM 0 HB3 HIS A 42 1.506 -7.570 2.925 1.00 0.54 H new ATOM 0 HD1 HIS A 42 1.333 -7.283 -0.868 1.00 0.61 H new ATOM 0 HD2 HIS A 42 -0.172 -9.584 2.206 1.00 1.21 H new ATOM 0 HE1 HIS A 42 0.144 -9.213 -1.895 1.00 0.64 H new ATOM 678 N ASP A 43 -0.844 -6.517 3.786 1.00 0.56 N ATOM 679 CA ASP A 43 -2.187 -6.839 4.331 1.00 0.64 C ATOM 680 C ASP A 43 -2.900 -5.612 4.864 1.00 0.60 C ATOM 681 O ASP A 43 -4.111 -5.581 4.938 1.00 0.62 O ATOM 682 CB ASP A 43 -2.057 -7.840 5.454 1.00 0.80 C ATOM 683 CG ASP A 43 -3.468 -8.270 5.805 1.00 1.22 C ATOM 684 OD1 ASP A 43 -4.033 -8.969 4.982 1.00 1.86 O ATOM 685 OD2 ASP A 43 -3.907 -7.875 6.868 1.00 1.51 O ATOM 0 H ASP A 43 -0.055 -6.700 4.406 1.00 0.56 H new ATOM 0 HA ASP A 43 -2.774 -7.249 3.509 1.00 0.64 H new ATOM 0 HB2 ASP A 43 -1.455 -8.695 5.145 1.00 0.80 H new ATOM 0 HB3 ASP A 43 -1.560 -7.395 6.316 1.00 0.80 H new ATOM 690 N HIS A 44 -2.151 -4.613 5.228 1.00 0.60 N ATOM 691 CA HIS A 44 -2.823 -3.393 5.756 1.00 0.63 C ATOM 692 C HIS A 44 -3.614 -2.838 4.589 1.00 0.60 C ATOM 693 O HIS A 44 -4.698 -2.313 4.732 1.00 0.68 O ATOM 694 CB HIS A 44 -1.786 -2.358 6.209 1.00 0.65 C ATOM 695 CG HIS A 44 -2.446 -1.243 7.022 1.00 1.02 C ATOM 696 ND1 HIS A 44 -3.084 -1.415 8.135 1.00 1.67 N ATOM 697 CD2 HIS A 44 -2.513 0.122 6.800 1.00 1.54 C ATOM 698 CE1 HIS A 44 -3.509 -0.273 8.574 1.00 2.24 C ATOM 699 NE2 HIS A 44 -3.177 0.710 7.775 1.00 2.16 N ATOM 0 H HIS A 44 -1.132 -4.583 5.186 1.00 0.60 H new ATOM 0 HA HIS A 44 -3.451 -3.624 6.617 1.00 0.63 H new ATOM 0 HB2 HIS A 44 -1.018 -2.846 6.810 1.00 0.65 H new ATOM 0 HB3 HIS A 44 -1.287 -1.932 5.338 1.00 0.65 H new ATOM 0 HD1 HIS A 44 -3.230 -2.313 8.596 1.00 1.67 H new ATOM 0 HD2 HIS A 44 -2.083 0.632 5.950 1.00 1.54 H new ATOM 0 HE1 HIS A 44 -4.069 -0.147 9.489 1.00 2.24 H new ATOM 707 N ALA A 45 -3.037 -2.977 3.430 1.00 0.57 N ATOM 708 CA ALA A 45 -3.736 -2.467 2.227 1.00 0.62 C ATOM 709 C ALA A 45 -4.896 -3.402 1.994 1.00 0.59 C ATOM 710 O ALA A 45 -5.945 -3.005 1.532 1.00 0.61 O ATOM 711 CB ALA A 45 -2.826 -2.509 1.004 1.00 0.70 C ATOM 0 H ALA A 45 -2.129 -3.413 3.267 1.00 0.57 H new ATOM 0 HA ALA A 45 -4.048 -1.433 2.378 1.00 0.62 H new ATOM 0 HB1 ALA A 45 -3.365 -2.129 0.136 1.00 0.70 H new ATOM 0 HB2 ALA A 45 -1.946 -1.891 1.184 1.00 0.70 H new ATOM 0 HB3 ALA A 45 -2.515 -3.537 0.817 1.00 0.70 H new ATOM 717 N ASP A 46 -4.667 -4.636 2.328 1.00 0.60 N ATOM 718 CA ASP A 46 -5.748 -5.628 2.117 1.00 0.65 C ATOM 719 C ASP A 46 -6.895 -5.359 3.060 1.00 0.65 C ATOM 720 O ASP A 46 -7.977 -5.863 2.856 1.00 0.65 O ATOM 721 CB ASP A 46 -5.244 -7.023 2.373 1.00 0.76 C ATOM 722 CG ASP A 46 -6.327 -8.004 1.936 1.00 0.88 C ATOM 723 OD1 ASP A 46 -6.629 -7.984 0.756 1.00 1.04 O ATOM 724 OD2 ASP A 46 -6.788 -8.730 2.798 1.00 1.45 O ATOM 0 H ASP A 46 -3.800 -4.995 2.728 1.00 0.60 H new ATOM 0 HA ASP A 46 -6.083 -5.541 1.084 1.00 0.65 H new ATOM 0 HB2 ASP A 46 -4.322 -7.202 1.820 1.00 0.76 H new ATOM 0 HB3 ASP A 46 -5.013 -7.157 3.430 1.00 0.76 H new ATOM 729 N GLU A 47 -6.684 -4.590 4.089 1.00 0.71 N ATOM 730 CA GLU A 47 -7.859 -4.329 4.959 1.00 0.81 C ATOM 731 C GLU A 47 -8.837 -3.552 4.111 1.00 0.75 C ATOM 732 O GLU A 47 -10.037 -3.686 4.236 1.00 0.81 O ATOM 733 CB GLU A 47 -7.498 -3.466 6.167 1.00 0.97 C ATOM 734 CG GLU A 47 -7.068 -4.316 7.357 1.00 1.17 C ATOM 735 CD GLU A 47 -8.298 -5.031 7.938 1.00 1.52 C ATOM 736 OE1 GLU A 47 -9.361 -4.911 7.348 1.00 1.97 O ATOM 737 OE2 GLU A 47 -8.109 -5.672 8.954 1.00 2.02 O ATOM 0 H GLU A 47 -5.802 -4.153 4.356 1.00 0.71 H new ATOM 0 HA GLU A 47 -8.256 -5.273 5.332 1.00 0.81 H new ATOM 0 HB2 GLU A 47 -6.693 -2.782 5.898 1.00 0.97 H new ATOM 0 HB3 GLU A 47 -8.356 -2.855 6.447 1.00 0.97 H new ATOM 0 HG2 GLU A 47 -6.321 -5.046 7.046 1.00 1.17 H new ATOM 0 HG3 GLU A 47 -6.604 -3.689 8.118 1.00 1.17 H new ATOM 744 N LEU A 48 -8.265 -2.758 3.248 1.00 0.72 N ATOM 745 CA LEU A 48 -9.085 -1.917 2.338 1.00 0.77 C ATOM 746 C LEU A 48 -9.704 -2.810 1.266 1.00 0.68 C ATOM 747 O LEU A 48 -10.243 -2.331 0.288 1.00 0.93 O ATOM 748 CB LEU A 48 -8.204 -0.872 1.666 1.00 0.85 C ATOM 749 CG LEU A 48 -7.318 -0.149 2.705 1.00 0.87 C ATOM 750 CD1 LEU A 48 -6.407 0.836 1.963 1.00 1.52 C ATOM 751 CD2 LEU A 48 -8.192 0.630 3.698 1.00 1.40 C ATOM 0 H LEU A 48 -7.256 -2.657 3.135 1.00 0.72 H new ATOM 0 HA LEU A 48 -9.866 -1.416 2.910 1.00 0.77 H new ATOM 0 HB2 LEU A 48 -7.575 -1.349 0.915 1.00 0.85 H new ATOM 0 HB3 LEU A 48 -8.827 -0.145 1.145 1.00 0.85 H new ATOM 0 HG LEU A 48 -6.728 -0.883 3.253 1.00 0.87 H new ATOM 0 HD11 LEU A 48 -5.773 1.357 2.681 1.00 1.52 H new ATOM 0 HD12 LEU A 48 -5.782 0.291 1.255 1.00 1.52 H new ATOM 0 HD13 LEU A 48 -7.017 1.561 1.425 1.00 1.52 H new ATOM 0 HD21 LEU A 48 -7.555 1.135 4.425 1.00 1.40 H new ATOM 0 HD22 LEU A 48 -8.784 1.369 3.159 1.00 1.40 H new ATOM 0 HD23 LEU A 48 -8.858 -0.060 4.216 1.00 1.40 H new ATOM 763 N TYR A 49 -9.606 -4.089 1.473 1.00 0.59 N ATOM 764 CA TYR A 49 -10.173 -5.070 0.523 1.00 0.54 C ATOM 765 C TYR A 49 -11.172 -5.835 1.375 1.00 0.59 C ATOM 766 O TYR A 49 -12.237 -6.215 0.935 1.00 0.82 O ATOM 767 CB TYR A 49 -9.064 -5.994 0.030 1.00 0.61 C ATOM 768 CG TYR A 49 -9.547 -6.857 -1.129 1.00 0.64 C ATOM 769 CD1 TYR A 49 -9.884 -6.278 -2.329 1.00 1.33 C ATOM 770 CD2 TYR A 49 -9.643 -8.225 -0.990 1.00 1.29 C ATOM 771 CE1 TYR A 49 -10.313 -7.052 -3.385 1.00 1.40 C ATOM 772 CE2 TYR A 49 -10.070 -9.004 -2.043 1.00 1.32 C ATOM 773 CZ TYR A 49 -10.409 -8.421 -3.250 1.00 0.85 C ATOM 774 OH TYR A 49 -10.837 -9.185 -4.317 1.00 0.99 O ATOM 0 H TYR A 49 -9.144 -4.503 2.283 1.00 0.59 H new ATOM 0 HA TYR A 49 -10.628 -4.622 -0.361 1.00 0.54 H new ATOM 0 HB2 TYR A 49 -8.206 -5.401 -0.286 1.00 0.61 H new ATOM 0 HB3 TYR A 49 -8.727 -6.632 0.847 1.00 0.61 H new ATOM 0 HD1 TYR A 49 -9.812 -5.207 -2.445 1.00 1.33 H new ATOM 0 HD2 TYR A 49 -9.382 -8.689 -0.050 1.00 1.29 H new ATOM 0 HE1 TYR A 49 -10.575 -6.585 -4.323 1.00 1.40 H new ATOM 0 HE2 TYR A 49 -10.140 -10.075 -1.925 1.00 1.32 H new ATOM 0 HH TYR A 49 -10.848 -10.130 -4.059 1.00 0.99 H new ATOM 784 N ARG A 50 -10.790 -6.040 2.602 1.00 0.71 N ATOM 785 CA ARG A 50 -11.674 -6.793 3.524 1.00 0.95 C ATOM 786 C ARG A 50 -12.853 -5.972 4.005 1.00 1.15 C ATOM 787 O ARG A 50 -13.949 -6.114 3.501 1.00 1.19 O ATOM 788 CB ARG A 50 -10.865 -7.253 4.739 1.00 1.20 C ATOM 789 CG ARG A 50 -9.789 -8.239 4.271 1.00 1.44 C ATOM 790 CD ARG A 50 -9.004 -8.730 5.497 1.00 1.54 C ATOM 791 NE ARG A 50 -8.457 -7.562 6.239 1.00 1.70 N ATOM 792 CZ ARG A 50 -7.153 -7.490 6.368 1.00 1.79 C ATOM 793 NH1 ARG A 50 -6.435 -7.438 5.274 1.00 2.21 N ATOM 794 NH2 ARG A 50 -6.630 -7.475 7.573 1.00 2.29 N ATOM 0 H ARG A 50 -9.908 -5.720 3.003 1.00 0.71 H new ATOM 0 HA ARG A 50 -12.068 -7.644 2.968 1.00 0.95 H new ATOM 0 HB2 ARG A 50 -10.404 -6.397 5.232 1.00 1.20 H new ATOM 0 HB3 ARG A 50 -11.519 -7.727 5.470 1.00 1.20 H new ATOM 0 HG2 ARG A 50 -10.248 -9.082 3.754 1.00 1.44 H new ATOM 0 HG3 ARG A 50 -9.118 -7.756 3.561 1.00 1.44 H new ATOM 0 HD2 ARG A 50 -9.654 -9.315 6.147 1.00 1.54 H new ATOM 0 HD3 ARG A 50 -8.193 -9.387 5.183 1.00 1.54 H new ATOM 0 HE ARG A 50 -9.070 -6.847 6.631 1.00 1.70 H new ATOM 0 HH11 ARG A 50 -6.892 -7.454 4.362 1.00 2.21 H new ATOM 0 HH12 ARG A 50 -5.418 -7.381 5.333 1.00 2.21 H new ATOM 0 HH21 ARG A 50 -7.236 -7.519 8.392 1.00 2.29 H new ATOM 0 HH22 ARG A 50 -5.618 -7.419 7.689 1.00 2.29 H new ATOM 808 N SER A 51 -12.609 -5.134 4.969 1.00 1.40 N ATOM 809 CA SER A 51 -13.710 -4.314 5.519 1.00 1.77 C ATOM 810 C SER A 51 -14.397 -3.503 4.414 1.00 1.70 C ATOM 811 O SER A 51 -15.525 -3.071 4.558 1.00 1.91 O ATOM 812 CB SER A 51 -13.069 -3.457 6.589 1.00 2.04 C ATOM 813 OG SER A 51 -12.385 -4.448 7.349 1.00 2.11 O ATOM 0 H SER A 51 -11.695 -4.984 5.397 1.00 1.40 H new ATOM 0 HA SER A 51 -14.511 -4.916 5.948 1.00 1.77 H new ATOM 0 HB2 SER A 51 -12.389 -2.714 6.172 1.00 2.04 H new ATOM 0 HB3 SER A 51 -13.806 -2.917 7.183 1.00 2.04 H new ATOM 0 HG SER A 51 -11.418 -4.350 7.220 1.00 2.11 H new ATOM 819 N CYS A 52 -13.710 -3.302 3.327 1.00 1.50 N ATOM 820 CA CYS A 52 -14.364 -2.555 2.226 1.00 1.60 C ATOM 821 C CYS A 52 -15.377 -3.491 1.603 1.00 1.30 C ATOM 822 O CYS A 52 -16.511 -3.117 1.387 1.00 1.42 O ATOM 823 CB CYS A 52 -13.351 -2.152 1.160 1.00 1.71 C ATOM 824 SG CYS A 52 -12.244 -0.761 1.496 1.00 2.41 S ATOM 0 H CYS A 52 -12.753 -3.612 3.157 1.00 1.50 H new ATOM 0 HA CYS A 52 -14.825 -1.647 2.615 1.00 1.60 H new ATOM 0 HB2 CYS A 52 -12.732 -3.023 0.946 1.00 1.71 H new ATOM 0 HB3 CYS A 52 -13.903 -1.922 0.249 1.00 1.71 H new ATOM 0 HG CYS A 52 -11.127 -0.930 0.853 1.00 2.41 H new ATOM 830 N LEU A 53 -14.958 -4.694 1.327 1.00 1.00 N ATOM 831 CA LEU A 53 -15.924 -5.632 0.702 1.00 0.95 C ATOM 832 C LEU A 53 -17.063 -5.853 1.667 1.00 1.09 C ATOM 833 O LEU A 53 -18.184 -6.050 1.251 1.00 1.19 O ATOM 834 CB LEU A 53 -15.236 -6.971 0.403 1.00 0.98 C ATOM 835 CG LEU A 53 -16.250 -8.010 -0.138 1.00 1.21 C ATOM 836 CD1 LEU A 53 -16.944 -7.503 -1.421 1.00 1.56 C ATOM 837 CD2 LEU A 53 -15.491 -9.305 -0.463 1.00 1.58 C ATOM 0 H LEU A 53 -14.021 -5.058 1.500 1.00 1.00 H new ATOM 0 HA LEU A 53 -16.296 -5.214 -0.233 1.00 0.95 H new ATOM 0 HB2 LEU A 53 -14.441 -6.820 -0.327 1.00 0.98 H new ATOM 0 HB3 LEU A 53 -14.768 -7.353 1.310 1.00 0.98 H new ATOM 0 HG LEU A 53 -17.015 -8.180 0.620 1.00 1.21 H new ATOM 0 HD11 LEU A 53 -17.649 -8.255 -1.775 1.00 1.56 H new ATOM 0 HD12 LEU A 53 -17.479 -6.578 -1.204 1.00 1.56 H new ATOM 0 HD13 LEU A 53 -16.195 -7.317 -2.191 1.00 1.56 H new ATOM 0 HD21 LEU A 53 -16.189 -10.050 -0.846 1.00 1.58 H new ATOM 0 HD22 LEU A 53 -14.729 -9.101 -1.215 1.00 1.58 H new ATOM 0 HD23 LEU A 53 -15.015 -9.685 0.441 1.00 1.58 H new ATOM 849 N ALA A 54 -16.760 -5.810 2.933 1.00 1.32 N ATOM 850 CA ALA A 54 -17.837 -6.037 3.933 1.00 1.66 C ATOM 851 C ALA A 54 -19.000 -5.092 3.693 1.00 1.77 C ATOM 852 O ALA A 54 -20.101 -5.377 4.112 1.00 2.00 O ATOM 853 CB ALA A 54 -17.313 -5.801 5.347 1.00 1.85 C ATOM 0 H ALA A 54 -15.831 -5.631 3.314 1.00 1.32 H new ATOM 0 HA ALA A 54 -18.171 -7.069 3.827 1.00 1.66 H new ATOM 0 HB1 ALA A 54 -18.115 -5.972 6.065 1.00 1.85 H new ATOM 0 HB2 ALA A 54 -16.492 -6.488 5.550 1.00 1.85 H new ATOM 0 HB3 ALA A 54 -16.958 -4.774 5.437 1.00 1.85 H new ATOM 859 N ARG A 55 -18.741 -3.992 3.042 1.00 1.75 N ATOM 860 CA ARG A 55 -19.857 -3.047 2.773 1.00 1.93 C ATOM 861 C ARG A 55 -20.139 -2.942 1.290 1.00 1.58 C ATOM 862 O ARG A 55 -21.163 -2.421 0.901 1.00 1.71 O ATOM 863 CB ARG A 55 -19.505 -1.666 3.302 1.00 2.36 C ATOM 864 CG ARG A 55 -19.322 -1.816 4.804 1.00 2.73 C ATOM 865 CD ARG A 55 -19.422 -0.435 5.455 1.00 3.04 C ATOM 866 NE ARG A 55 -18.341 0.435 4.931 1.00 2.92 N ATOM 867 CZ ARG A 55 -17.318 0.632 5.724 1.00 3.13 C ATOM 868 NH1 ARG A 55 -16.347 -0.260 5.701 1.00 3.65 N ATOM 869 NH2 ARG A 55 -17.334 1.702 6.489 1.00 3.41 N ATOM 0 H ARG A 55 -17.825 -3.711 2.692 1.00 1.75 H new ATOM 0 HA ARG A 55 -20.745 -3.429 3.276 1.00 1.93 H new ATOM 0 HB2 ARG A 55 -18.594 -1.292 2.835 1.00 2.36 H new ATOM 0 HB3 ARG A 55 -20.296 -0.950 3.077 1.00 2.36 H new ATOM 0 HG2 ARG A 55 -20.083 -2.481 5.212 1.00 2.73 H new ATOM 0 HG3 ARG A 55 -18.354 -2.267 5.023 1.00 2.73 H new ATOM 0 HD2 ARG A 55 -20.395 0.009 5.245 1.00 3.04 H new ATOM 0 HD3 ARG A 55 -19.339 -0.524 6.538 1.00 3.04 H new ATOM 0 HE ARG A 55 -18.392 0.857 4.004 1.00 2.92 H new ATOM 0 HH11 ARG A 55 -16.410 -1.067 5.080 1.00 3.65 H new ATOM 0 HH12 ARG A 55 -15.533 -0.143 6.304 1.00 3.65 H new ATOM 0 HH21 ARG A 55 -18.126 2.344 6.451 1.00 3.41 H new ATOM 0 HH22 ARG A 55 -16.555 1.889 7.120 1.00 3.41 H new ATOM 883 N PHE A 56 -19.235 -3.429 0.490 1.00 1.42 N ATOM 884 CA PHE A 56 -19.482 -3.339 -0.970 1.00 1.63 C ATOM 885 C PHE A 56 -20.131 -4.641 -1.399 1.00 2.45 C ATOM 886 O PHE A 56 -20.537 -4.797 -2.532 1.00 3.11 O ATOM 887 CB PHE A 56 -18.175 -3.168 -1.727 1.00 1.48 C ATOM 888 CG PHE A 56 -17.393 -1.926 -1.264 1.00 1.19 C ATOM 889 CD1 PHE A 56 -17.919 -0.965 -0.412 1.00 1.63 C ATOM 890 CD2 PHE A 56 -16.104 -1.766 -1.725 1.00 1.30 C ATOM 891 CE1 PHE A 56 -17.162 0.124 -0.038 1.00 1.51 C ATOM 892 CE2 PHE A 56 -15.347 -0.678 -1.351 1.00 1.24 C ATOM 893 CZ PHE A 56 -15.876 0.270 -0.505 1.00 0.99 C ATOM 0 H PHE A 56 -18.361 -3.873 0.773 1.00 1.42 H new ATOM 0 HA PHE A 56 -20.119 -2.481 -1.186 1.00 1.63 H new ATOM 0 HB2 PHE A 56 -17.558 -4.056 -1.589 1.00 1.48 H new ATOM 0 HB3 PHE A 56 -18.383 -3.087 -2.794 1.00 1.48 H new ATOM 0 HD1 PHE A 56 -18.927 -1.071 -0.040 1.00 1.63 H new ATOM 0 HD2 PHE A 56 -15.681 -2.505 -2.390 1.00 1.30 H new ATOM 0 HE1 PHE A 56 -17.580 0.867 0.625 1.00 1.51 H new ATOM 0 HE2 PHE A 56 -14.338 -0.569 -1.721 1.00 1.24 H new ATOM 0 HZ PHE A 56 -15.285 1.124 -0.209 1.00 0.99 H new ATOM 903 N GLY A 57 -20.213 -5.566 -0.490 1.00 2.70 N ATOM 904 CA GLY A 57 -20.843 -6.856 -0.850 1.00 3.77 C ATOM 905 C GLY A 57 -20.944 -7.717 0.402 1.00 4.43 C ATOM 906 O GLY A 57 -19.944 -8.187 0.908 1.00 4.85 O ATOM 0 H GLY A 57 -19.877 -5.486 0.470 1.00 2.70 H new ATOM 0 HA2 GLY A 57 -21.833 -6.688 -1.274 1.00 3.77 H new ATOM 0 HA3 GLY A 57 -20.253 -7.365 -1.612 1.00 3.77 H new ATOM 910 N ASP A 58 -22.150 -7.893 0.869 1.00 4.82 N ATOM 911 CA ASP A 58 -22.355 -8.726 2.085 1.00 5.78 C ATOM 912 C ASP A 58 -21.885 -10.118 1.748 1.00 6.31 C ATOM 913 O ASP A 58 -21.978 -10.534 0.610 1.00 6.58 O ATOM 914 CB ASP A 58 -23.824 -8.824 2.462 1.00 6.24 C ATOM 915 CG ASP A 58 -24.396 -7.422 2.615 1.00 6.76 C ATOM 916 OD1 ASP A 58 -24.710 -6.864 1.577 1.00 6.88 O ATOM 917 OD2 ASP A 58 -24.485 -6.995 3.752 1.00 7.19 O ATOM 0 H ASP A 58 -22.998 -7.498 0.462 1.00 4.82 H new ATOM 0 HA ASP A 58 -21.812 -8.277 2.917 1.00 5.78 H new ATOM 0 HB2 ASP A 58 -24.373 -9.372 1.696 1.00 6.24 H new ATOM 0 HB3 ASP A 58 -23.937 -9.379 3.393 1.00 6.24 H new ATOM 922 N ASP A 59 -21.398 -10.811 2.735 1.00 6.74 N ATOM 923 CA ASP A 59 -20.923 -12.194 2.466 1.00 7.58 C ATOM 924 C ASP A 59 -22.171 -13.045 2.434 1.00 8.01 C ATOM 925 O ASP A 59 -22.254 -14.025 1.722 1.00 8.18 O ATOM 926 CB ASP A 59 -20.027 -12.710 3.585 1.00 8.09 C ATOM 927 CG ASP A 59 -20.883 -12.943 4.825 1.00 8.40 C ATOM 928 OD1 ASP A 59 -21.397 -11.963 5.335 1.00 8.62 O ATOM 929 OD2 ASP A 59 -20.980 -14.097 5.193 1.00 8.56 O ATOM 0 H ASP A 59 -21.309 -10.489 3.699 1.00 6.74 H new ATOM 0 HA ASP A 59 -20.347 -12.223 1.541 1.00 7.58 H new ATOM 0 HB2 ASP A 59 -19.539 -13.637 3.282 1.00 8.09 H new ATOM 0 HB3 ASP A 59 -19.238 -11.990 3.800 1.00 8.09 H new ATOM 934 N GLY A 60 -23.122 -12.641 3.222 1.00 8.32 N ATOM 935 CA GLY A 60 -24.397 -13.384 3.286 1.00 8.93 C ATOM 936 C GLY A 60 -24.808 -13.399 4.744 1.00 9.28 C ATOM 937 O GLY A 60 -25.883 -12.948 5.091 1.00 9.74 O ATOM 0 H GLY A 60 -23.067 -11.822 3.827 1.00 8.32 H new ATOM 0 HA2 GLY A 60 -25.159 -12.903 2.672 1.00 8.93 H new ATOM 0 HA3 GLY A 60 -24.275 -14.398 2.906 1.00 8.93 H new ATOM 941 N GLU A 61 -23.939 -13.910 5.567 1.00 9.25 N ATOM 942 CA GLU A 61 -24.250 -13.976 7.014 1.00 9.85 C ATOM 943 C GLU A 61 -22.957 -14.258 7.755 1.00 10.44 C ATOM 944 O GLU A 61 -22.599 -13.574 8.693 1.00 10.96 O ATOM 945 CB GLU A 61 -25.285 -15.098 7.259 1.00 9.95 C ATOM 946 CG GLU A 61 -24.951 -16.373 6.471 1.00 9.52 C ATOM 947 CD GLU A 61 -26.101 -17.338 6.710 1.00 9.36 C ATOM 948 OE1 GLU A 61 -26.228 -17.731 7.857 1.00 9.60 O ATOM 949 OE2 GLU A 61 -26.781 -17.619 5.739 1.00 9.14 O ATOM 0 H GLU A 61 -23.029 -14.284 5.298 1.00 9.25 H new ATOM 0 HA GLU A 61 -24.675 -13.038 7.371 1.00 9.85 H new ATOM 0 HB2 GLU A 61 -25.323 -15.330 8.323 1.00 9.95 H new ATOM 0 HB3 GLU A 61 -26.276 -14.745 6.974 1.00 9.95 H new ATOM 0 HG2 GLU A 61 -24.841 -16.155 5.409 1.00 9.52 H new ATOM 0 HG3 GLU A 61 -24.007 -16.802 6.808 1.00 9.52 H new ATOM 956 N ASN A 62 -22.303 -15.278 7.288 1.00 10.52 N ATOM 957 CA ASN A 62 -21.010 -15.727 7.859 1.00 11.24 C ATOM 958 C ASN A 62 -20.717 -16.998 7.109 1.00 11.48 C ATOM 959 O ASN A 62 -20.970 -18.078 7.608 1.00 11.62 O ATOM 960 CB ASN A 62 -21.098 -16.083 9.345 1.00 11.72 C ATOM 961 CG ASN A 62 -19.691 -16.424 9.881 1.00 12.30 C ATOM 962 OD1 ASN A 62 -18.752 -16.929 9.120 1.00 12.60 O flip ATOM 963 ND2 ASN A 62 -19.428 -16.223 11.051 1.00 12.60 N flip ATOM 0 H ASN A 62 -22.626 -15.841 6.501 1.00 10.52 H new ATOM 0 HA ASN A 62 -20.262 -14.939 7.770 1.00 11.24 H new ATOM 0 HB2 ASN A 62 -21.519 -15.248 9.905 1.00 11.72 H new ATOM 0 HB3 ASN A 62 -21.768 -16.931 9.487 1.00 11.72 H new ATOM 0 HD21 ASN A 62 -20.135 -15.831 11.673 1.00 12.60 H new ATOM 0 HD22 ASN A 62 -18.500 -16.447 11.411 1.00 12.60 H new ATOM 970 N LEU A 63 -20.197 -16.844 5.930 1.00 11.67 N ATOM 971 CA LEU A 63 -19.855 -18.042 5.128 1.00 12.09 C ATOM 972 C LEU A 63 -18.399 -18.306 5.453 1.00 12.33 C ATOM 973 O LEU A 63 -17.912 -17.522 6.251 1.00 12.50 O ATOM 974 CB LEU A 63 -20.009 -17.757 3.627 1.00 12.49 C ATOM 975 CG LEU A 63 -21.500 -17.797 3.191 1.00 12.64 C ATOM 976 CD1 LEU A 63 -22.338 -16.695 3.861 1.00 12.78 C ATOM 977 CD2 LEU A 63 -21.570 -17.611 1.668 1.00 12.96 C ATOM 978 OXT LEU A 63 -17.868 -19.250 4.899 1.00 12.46 O ATOM 0 H LEU A 63 -19.995 -15.947 5.489 1.00 11.67 H new ATOM 0 HA LEU A 63 -20.504 -18.887 5.357 1.00 12.09 H new ATOM 0 HB2 LEU A 63 -19.587 -16.779 3.396 1.00 12.49 H new ATOM 0 HB3 LEU A 63 -19.442 -18.492 3.056 1.00 12.49 H new ATOM 0 HG LEU A 63 -21.911 -18.759 3.498 1.00 12.64 H new ATOM 0 HD11 LEU A 63 -23.372 -16.767 3.522 1.00 12.78 H new ATOM 0 HD12 LEU A 63 -22.301 -16.817 4.943 1.00 12.78 H new ATOM 0 HD13 LEU A 63 -21.936 -15.718 3.593 1.00 12.78 H new ATOM 0 HD21 LEU A 63 -22.611 -17.637 1.346 1.00 12.96 H new ATOM 0 HD22 LEU A 63 -21.130 -16.651 1.398 1.00 12.96 H new ATOM 0 HD23 LEU A 63 -21.019 -18.413 1.178 1.00 12.96 H new TER 990 LEU A 63 ATOM 991 N MET B 1 22.617 -2.472 -6.025 1.00 3.37 N ATOM 992 CA MET B 1 23.153 -1.140 -6.357 1.00 3.57 C ATOM 993 C MET B 1 22.449 -0.771 -7.647 1.00 3.47 C ATOM 994 O MET B 1 22.648 -1.435 -8.644 1.00 4.06 O ATOM 995 CB MET B 1 24.663 -1.191 -6.613 1.00 3.97 C ATOM 996 CG MET B 1 25.215 0.230 -6.761 1.00 4.33 C ATOM 997 SD MET B 1 26.949 0.373 -7.263 1.00 4.83 S ATOM 998 CE MET B 1 27.724 -0.259 -5.754 1.00 5.37 C ATOM 0 H1 MET B 1 22.582 -2.584 -4.992 1.00 3.37 H new ATOM 0 H2 MET B 1 21.658 -2.568 -6.417 1.00 3.37 H new ATOM 0 H3 MET B 1 23.232 -3.205 -6.432 1.00 3.37 H new ATOM 0 HA MET B 1 22.992 -0.430 -5.545 1.00 3.57 H new ATOM 0 HB2 MET B 1 25.163 -1.701 -5.790 1.00 3.97 H new ATOM 0 HB3 MET B 1 24.868 -1.766 -7.516 1.00 3.97 H new ATOM 0 HG2 MET B 1 24.603 0.760 -7.491 1.00 4.33 H new ATOM 0 HG3 MET B 1 25.092 0.745 -5.808 1.00 4.33 H new ATOM 0 HE1 MET B 1 28.807 -0.166 -5.835 1.00 5.37 H new ATOM 0 HE2 MET B 1 27.374 0.316 -4.897 1.00 5.37 H new ATOM 0 HE3 MET B 1 27.459 -1.308 -5.620 1.00 5.37 H new ATOM 1010 N THR B 2 21.650 0.251 -7.585 1.00 2.92 N ATOM 1011 CA THR B 2 20.925 0.730 -8.785 1.00 2.99 C ATOM 1012 C THR B 2 20.144 -0.326 -9.563 1.00 2.72 C ATOM 1013 O THR B 2 19.709 -0.075 -10.668 1.00 2.84 O ATOM 1014 CB THR B 2 21.979 1.407 -9.654 1.00 3.22 C ATOM 1015 OG1 THR B 2 22.894 1.926 -8.690 1.00 3.49 O ATOM 1016 CG2 THR B 2 21.428 2.654 -10.365 1.00 4.02 C ATOM 0 H THR B 2 21.466 0.785 -6.735 1.00 2.92 H new ATOM 0 HA THR B 2 20.132 1.407 -8.465 1.00 2.99 H new ATOM 0 HB THR B 2 22.367 0.712 -10.399 1.00 3.22 H new ATOM 0 HG1 THR B 2 22.421 2.534 -8.084 1.00 3.49 H new ATOM 0 HG21 THR B 2 22.214 3.103 -10.972 1.00 4.02 H new ATOM 0 HG22 THR B 2 20.593 2.369 -11.005 1.00 4.02 H new ATOM 0 HG23 THR B 2 21.086 3.375 -9.622 1.00 4.02 H new ATOM 1024 N LYS B 3 19.977 -1.480 -8.994 1.00 2.63 N ATOM 1025 CA LYS B 3 19.198 -2.489 -9.732 1.00 2.60 C ATOM 1026 C LYS B 3 17.791 -2.210 -9.252 1.00 2.17 C ATOM 1027 O LYS B 3 17.260 -1.134 -9.432 1.00 2.07 O ATOM 1028 CB LYS B 3 19.642 -3.957 -9.374 1.00 3.03 C ATOM 1029 CG LYS B 3 19.714 -4.273 -7.861 1.00 3.61 C ATOM 1030 CD LYS B 3 19.591 -5.798 -7.669 1.00 3.98 C ATOM 1031 CE LYS B 3 19.514 -6.125 -6.160 1.00 4.65 C ATOM 1032 NZ LYS B 3 18.371 -5.417 -5.513 1.00 4.95 N ATOM 0 H LYS B 3 20.334 -1.759 -8.080 1.00 2.63 H new ATOM 0 HA LYS B 3 19.321 -2.424 -10.813 1.00 2.60 H new ATOM 0 HB2 LYS B 3 18.947 -4.654 -9.842 1.00 3.03 H new ATOM 0 HB3 LYS B 3 20.622 -4.141 -9.814 1.00 3.03 H new ATOM 0 HG2 LYS B 3 20.655 -3.914 -7.444 1.00 3.61 H new ATOM 0 HG3 LYS B 3 18.913 -3.759 -7.329 1.00 3.61 H new ATOM 0 HD2 LYS B 3 18.701 -6.168 -8.178 1.00 3.98 H new ATOM 0 HD3 LYS B 3 20.447 -6.302 -8.118 1.00 3.98 H new ATOM 0 HE2 LYS B 3 19.403 -7.201 -6.023 1.00 4.65 H new ATOM 0 HE3 LYS B 3 20.446 -5.836 -5.674 1.00 4.65 H new ATOM 0 HZ1 LYS B 3 18.009 -5.990 -4.724 1.00 4.95 H new ATOM 0 HZ2 LYS B 3 18.692 -4.496 -5.152 1.00 4.95 H new ATOM 0 HZ3 LYS B 3 17.614 -5.270 -6.211 1.00 4.95 H new ATOM 1046 N GLN B 4 17.195 -3.175 -8.630 1.00 2.02 N ATOM 1047 CA GLN B 4 15.825 -2.939 -8.149 1.00 1.74 C ATOM 1048 C GLN B 4 15.830 -2.210 -6.812 1.00 1.34 C ATOM 1049 O GLN B 4 14.775 -2.073 -6.228 1.00 1.25 O ATOM 1050 CB GLN B 4 15.114 -4.263 -7.983 1.00 1.87 C ATOM 1051 CG GLN B 4 15.217 -5.058 -9.277 1.00 2.66 C ATOM 1052 CD GLN B 4 14.348 -6.304 -9.118 1.00 3.34 C ATOM 1053 OE1 GLN B 4 13.191 -6.298 -9.486 1.00 3.63 O ATOM 1054 NE2 GLN B 4 14.848 -7.380 -8.579 1.00 4.09 N ATOM 0 H GLN B 4 17.588 -4.096 -8.438 1.00 2.02 H new ATOM 0 HA GLN B 4 15.309 -2.320 -8.883 1.00 1.74 H new ATOM 0 HB2 GLN B 4 15.557 -4.826 -7.161 1.00 1.87 H new ATOM 0 HB3 GLN B 4 14.067 -4.097 -7.728 1.00 1.87 H new ATOM 0 HG2 GLN B 4 14.879 -4.460 -10.123 1.00 2.66 H new ATOM 0 HG3 GLN B 4 16.252 -5.335 -9.476 1.00 2.66 H new ATOM 0 HE21 GLN B 4 15.819 -7.391 -8.268 1.00 4.09 H new ATOM 0 HE22 GLN B 4 14.268 -8.212 -8.468 1.00 4.09 H new ATOM 1063 N GLU B 5 16.956 -1.755 -6.324 1.00 1.21 N ATOM 1064 CA GLU B 5 16.856 -1.055 -5.014 1.00 0.96 C ATOM 1065 C GLU B 5 16.132 0.251 -5.249 1.00 0.95 C ATOM 1066 O GLU B 5 15.057 0.475 -4.736 1.00 0.82 O ATOM 1067 CB GLU B 5 18.215 -0.676 -4.406 1.00 1.13 C ATOM 1068 CG GLU B 5 19.036 -1.895 -3.998 1.00 1.56 C ATOM 1069 CD GLU B 5 19.836 -2.435 -5.159 1.00 1.97 C ATOM 1070 OE1 GLU B 5 19.897 -1.775 -6.177 1.00 2.36 O ATOM 1071 OE2 GLU B 5 20.375 -3.508 -4.981 1.00 2.53 O ATOM 0 H GLU B 5 17.882 -1.830 -6.744 1.00 1.21 H new ATOM 0 HA GLU B 5 16.351 -1.739 -4.331 1.00 0.96 H new ATOM 0 HB2 GLU B 5 18.780 -0.087 -5.128 1.00 1.13 H new ATOM 0 HB3 GLU B 5 18.055 -0.042 -3.534 1.00 1.13 H new ATOM 0 HG2 GLU B 5 19.709 -1.626 -3.184 1.00 1.56 H new ATOM 0 HG3 GLU B 5 18.372 -2.672 -3.619 1.00 1.56 H new ATOM 1078 N LYS B 6 16.760 1.074 -6.037 1.00 1.22 N ATOM 1079 CA LYS B 6 16.175 2.405 -6.336 1.00 1.36 C ATOM 1080 C LYS B 6 14.795 2.216 -6.941 1.00 1.20 C ATOM 1081 O LYS B 6 13.949 3.080 -6.844 1.00 1.18 O ATOM 1082 CB LYS B 6 17.076 3.138 -7.330 1.00 1.75 C ATOM 1083 CG LYS B 6 17.115 4.638 -6.997 1.00 2.49 C ATOM 1084 CD LYS B 6 18.153 5.296 -7.925 1.00 2.98 C ATOM 1085 CE LYS B 6 18.581 6.661 -7.358 1.00 3.67 C ATOM 1086 NZ LYS B 6 19.020 6.537 -5.945 1.00 3.78 N ATOM 0 H LYS B 6 17.655 0.881 -6.487 1.00 1.22 H new ATOM 0 HA LYS B 6 16.094 2.991 -5.420 1.00 1.36 H new ATOM 0 HB2 LYS B 6 18.083 2.723 -7.295 1.00 1.75 H new ATOM 0 HB3 LYS B 6 16.706 2.992 -8.345 1.00 1.75 H new ATOM 0 HG2 LYS B 6 16.133 5.088 -7.142 1.00 2.49 H new ATOM 0 HG3 LYS B 6 17.385 4.791 -5.952 1.00 2.49 H new ATOM 0 HD2 LYS B 6 19.023 4.647 -8.028 1.00 2.98 H new ATOM 0 HD3 LYS B 6 17.731 5.424 -8.922 1.00 2.98 H new ATOM 0 HE2 LYS B 6 19.392 7.070 -7.960 1.00 3.67 H new ATOM 0 HE3 LYS B 6 17.750 7.363 -7.424 1.00 3.67 H new ATOM 0 HZ1 LYS B 6 19.648 7.331 -5.706 1.00 3.78 H new ATOM 0 HZ2 LYS B 6 18.189 6.553 -5.320 1.00 3.78 H new ATOM 0 HZ3 LYS B 6 19.531 5.640 -5.818 1.00 3.78 H new ATOM 1100 N THR B 7 14.587 1.094 -7.557 1.00 1.23 N ATOM 1101 CA THR B 7 13.265 0.866 -8.172 1.00 1.25 C ATOM 1102 C THR B 7 12.233 0.475 -7.110 1.00 0.98 C ATOM 1103 O THR B 7 11.079 0.838 -7.205 1.00 0.93 O ATOM 1104 CB THR B 7 13.467 -0.220 -9.203 1.00 1.53 C ATOM 1105 OG1 THR B 7 14.707 0.177 -9.777 1.00 1.77 O ATOM 1106 CG2 THR B 7 12.455 -0.084 -10.349 1.00 1.82 C ATOM 0 H THR B 7 15.264 0.338 -7.659 1.00 1.23 H new ATOM 0 HA THR B 7 12.874 1.768 -8.643 1.00 1.25 H new ATOM 0 HB THR B 7 13.395 -1.219 -8.773 1.00 1.53 H new ATOM 0 HG1 THR B 7 15.417 -0.424 -9.469 1.00 1.77 H new ATOM 0 HG21 THR B 7 12.622 -0.877 -11.078 1.00 1.82 H new ATOM 0 HG22 THR B 7 11.443 -0.163 -9.952 1.00 1.82 H new ATOM 0 HG23 THR B 7 12.581 0.885 -10.832 1.00 1.82 H new ATOM 1114 N ALA B 8 12.656 -0.252 -6.116 1.00 0.87 N ATOM 1115 CA ALA B 8 11.680 -0.666 -5.069 1.00 0.79 C ATOM 1116 C ALA B 8 11.359 0.579 -4.281 1.00 0.62 C ATOM 1117 O ALA B 8 10.243 0.833 -3.880 1.00 0.70 O ATOM 1118 CB ALA B 8 12.303 -1.688 -4.136 1.00 0.81 C ATOM 0 H ALA B 8 13.615 -0.573 -5.982 1.00 0.87 H new ATOM 0 HA ALA B 8 10.794 -1.113 -5.521 1.00 0.79 H new ATOM 0 HB1 ALA B 8 11.576 -1.979 -3.378 1.00 0.81 H new ATOM 0 HB2 ALA B 8 12.603 -2.567 -4.707 1.00 0.81 H new ATOM 0 HB3 ALA B 8 13.178 -1.253 -3.652 1.00 0.81 H new ATOM 1124 N LEU B 9 12.414 1.308 -4.099 1.00 0.59 N ATOM 1125 CA LEU B 9 12.377 2.585 -3.355 1.00 0.73 C ATOM 1126 C LEU B 9 11.339 3.431 -4.073 1.00 0.60 C ATOM 1127 O LEU B 9 10.406 3.947 -3.488 1.00 0.61 O ATOM 1128 CB LEU B 9 13.805 3.145 -3.438 1.00 1.09 C ATOM 1129 CG LEU B 9 14.097 4.383 -2.582 1.00 1.65 C ATOM 1130 CD1 LEU B 9 15.604 4.650 -2.727 1.00 1.96 C ATOM 1131 CD2 LEU B 9 13.354 5.614 -3.108 1.00 2.37 C ATOM 0 H LEU B 9 13.338 1.059 -4.451 1.00 0.59 H new ATOM 0 HA LEU B 9 12.100 2.526 -2.303 1.00 0.73 H new ATOM 0 HB2 LEU B 9 14.500 2.357 -3.148 1.00 1.09 H new ATOM 0 HB3 LEU B 9 14.017 3.390 -4.479 1.00 1.09 H new ATOM 0 HG LEU B 9 13.783 4.207 -1.553 1.00 1.65 H new ATOM 0 HD11 LEU B 9 15.877 5.525 -2.137 1.00 1.96 H new ATOM 0 HD12 LEU B 9 16.163 3.784 -2.372 1.00 1.96 H new ATOM 0 HD13 LEU B 9 15.842 4.830 -3.775 1.00 1.96 H new ATOM 0 HD21 LEU B 9 13.583 6.474 -2.478 1.00 2.37 H new ATOM 0 HD22 LEU B 9 13.669 5.819 -4.131 1.00 2.37 H new ATOM 0 HD23 LEU B 9 12.280 5.426 -3.089 1.00 2.37 H new ATOM 1143 N ASN B 10 11.547 3.534 -5.351 1.00 0.60 N ATOM 1144 CA ASN B 10 10.626 4.347 -6.181 1.00 0.63 C ATOM 1145 C ASN B 10 9.206 3.854 -6.014 1.00 0.57 C ATOM 1146 O ASN B 10 8.304 4.627 -5.769 1.00 0.57 O ATOM 1147 CB ASN B 10 10.993 4.232 -7.645 1.00 0.76 C ATOM 1148 CG ASN B 10 10.163 5.272 -8.390 1.00 1.34 C ATOM 1149 OD1 ASN B 10 8.995 5.083 -8.667 1.00 1.67 O ATOM 1150 ND2 ASN B 10 10.739 6.392 -8.732 1.00 2.15 N ATOM 0 H ASN B 10 12.314 3.091 -5.856 1.00 0.60 H new ATOM 0 HA ASN B 10 10.708 5.384 -5.857 1.00 0.63 H new ATOM 0 HB2 ASN B 10 12.058 4.410 -7.792 1.00 0.76 H new ATOM 0 HB3 ASN B 10 10.783 3.230 -8.019 1.00 0.76 H new ATOM 0 HD21 ASN B 10 10.209 7.107 -9.231 1.00 2.15 H new ATOM 0 HD22 ASN B 10 11.719 6.553 -8.501 1.00 2.15 H new ATOM 1157 N MET B 11 9.047 2.571 -6.150 1.00 0.60 N ATOM 1158 CA MET B 11 7.688 1.992 -6.018 1.00 0.65 C ATOM 1159 C MET B 11 7.059 2.361 -4.695 1.00 0.62 C ATOM 1160 O MET B 11 5.882 2.641 -4.643 1.00 0.68 O ATOM 1161 CB MET B 11 7.750 0.474 -6.110 1.00 0.77 C ATOM 1162 CG MET B 11 7.904 0.055 -7.568 1.00 1.18 C ATOM 1163 SD MET B 11 6.506 0.425 -8.658 1.00 1.98 S ATOM 1164 CE MET B 11 5.341 -0.777 -7.967 1.00 2.42 C ATOM 0 H MET B 11 9.793 1.903 -6.345 1.00 0.60 H new ATOM 0 HA MET B 11 7.084 2.397 -6.830 1.00 0.65 H new ATOM 0 HB2 MET B 11 8.588 0.098 -5.523 1.00 0.77 H new ATOM 0 HB3 MET B 11 6.844 0.037 -5.689 1.00 0.77 H new ATOM 0 HG2 MET B 11 8.792 0.541 -7.972 1.00 1.18 H new ATOM 0 HG3 MET B 11 8.087 -1.019 -7.598 1.00 1.18 H new ATOM 0 HE1 MET B 11 4.542 -0.963 -8.684 1.00 2.42 H new ATOM 0 HE2 MET B 11 5.863 -1.710 -7.756 1.00 2.42 H new ATOM 0 HE3 MET B 11 4.916 -0.382 -7.044 1.00 2.42 H new ATOM 1174 N ALA B 12 7.828 2.362 -3.648 1.00 0.58 N ATOM 1175 CA ALA B 12 7.213 2.707 -2.341 1.00 0.62 C ATOM 1176 C ALA B 12 6.721 4.137 -2.420 1.00 0.56 C ATOM 1177 O ALA B 12 5.689 4.491 -1.883 1.00 0.57 O ATOM 1178 CB ALA B 12 8.243 2.598 -1.221 1.00 0.67 C ATOM 0 H ALA B 12 8.825 2.146 -3.636 1.00 0.58 H new ATOM 0 HA ALA B 12 6.394 2.020 -2.129 1.00 0.62 H new ATOM 0 HB1 ALA B 12 7.775 2.854 -0.270 1.00 0.67 H new ATOM 0 HB2 ALA B 12 8.624 1.578 -1.175 1.00 0.67 H new ATOM 0 HB3 ALA B 12 9.067 3.284 -1.417 1.00 0.67 H new ATOM 1184 N ARG B 13 7.482 4.944 -3.097 1.00 0.53 N ATOM 1185 CA ARG B 13 7.053 6.359 -3.199 1.00 0.50 C ATOM 1186 C ARG B 13 5.791 6.458 -4.031 1.00 0.49 C ATOM 1187 O ARG B 13 4.897 7.218 -3.714 1.00 0.51 O ATOM 1188 CB ARG B 13 8.167 7.192 -3.853 1.00 0.51 C ATOM 1189 CG ARG B 13 7.820 8.695 -3.966 1.00 0.61 C ATOM 1190 CD ARG B 13 7.887 9.405 -2.593 1.00 1.07 C ATOM 1191 NE ARG B 13 6.855 8.865 -1.665 1.00 1.86 N ATOM 1192 CZ ARG B 13 7.212 8.646 -0.419 1.00 2.52 C ATOM 1193 NH1 ARG B 13 7.671 9.659 0.281 1.00 3.15 N ATOM 1194 NH2 ARG B 13 7.101 7.432 0.076 1.00 3.08 N ATOM 0 H ARG B 13 8.352 4.698 -3.569 1.00 0.53 H new ATOM 0 HA ARG B 13 6.853 6.743 -2.199 1.00 0.50 H new ATOM 0 HB2 ARG B 13 9.083 7.080 -3.273 1.00 0.51 H new ATOM 0 HB3 ARG B 13 8.370 6.797 -4.848 1.00 0.51 H new ATOM 0 HG2 ARG B 13 8.511 9.176 -4.658 1.00 0.61 H new ATOM 0 HG3 ARG B 13 6.820 8.807 -4.385 1.00 0.61 H new ATOM 0 HD2 ARG B 13 8.878 9.272 -2.158 1.00 1.07 H new ATOM 0 HD3 ARG B 13 7.738 10.477 -2.725 1.00 1.07 H new ATOM 0 HE ARG B 13 5.906 8.672 -1.985 1.00 1.86 H new ATOM 0 HH11 ARG B 13 7.742 10.583 -0.145 1.00 3.15 H new ATOM 0 HH12 ARG B 13 7.956 9.521 1.251 1.00 3.15 H new ATOM 0 HH21 ARG B 13 6.742 6.675 -0.506 1.00 3.08 H new ATOM 0 HH22 ARG B 13 7.374 7.248 1.041 1.00 3.08 H new ATOM 1208 N PHE B 14 5.748 5.685 -5.072 1.00 0.52 N ATOM 1209 CA PHE B 14 4.560 5.747 -5.953 1.00 0.54 C ATOM 1210 C PHE B 14 3.336 5.257 -5.204 1.00 0.57 C ATOM 1211 O PHE B 14 2.291 5.873 -5.255 1.00 0.59 O ATOM 1212 CB PHE B 14 4.807 4.874 -7.179 1.00 0.62 C ATOM 1213 CG PHE B 14 3.634 5.022 -8.150 1.00 1.17 C ATOM 1214 CD1 PHE B 14 3.217 6.270 -8.578 1.00 2.02 C ATOM 1215 CD2 PHE B 14 2.977 3.900 -8.614 1.00 1.81 C ATOM 1216 CE1 PHE B 14 2.159 6.391 -9.453 1.00 2.69 C ATOM 1217 CE2 PHE B 14 1.920 4.021 -9.490 1.00 2.50 C ATOM 1218 CZ PHE B 14 1.509 5.266 -9.911 1.00 2.71 C ATOM 0 H PHE B 14 6.472 5.022 -5.348 1.00 0.52 H new ATOM 0 HA PHE B 14 4.387 6.777 -6.266 1.00 0.54 H new ATOM 0 HB2 PHE B 14 5.737 5.167 -7.667 1.00 0.62 H new ATOM 0 HB3 PHE B 14 4.918 3.831 -6.881 1.00 0.62 H new ATOM 0 HD1 PHE B 14 3.724 7.155 -8.224 1.00 2.02 H new ATOM 0 HD2 PHE B 14 3.294 2.920 -8.288 1.00 1.81 H new ATOM 0 HE1 PHE B 14 1.839 7.369 -9.780 1.00 2.69 H new ATOM 0 HE2 PHE B 14 1.413 3.137 -9.847 1.00 2.50 H new ATOM 0 HZ PHE B 14 0.681 5.360 -10.597 1.00 2.71 H new ATOM 1228 N ILE B 15 3.499 4.160 -4.524 1.00 0.58 N ATOM 1229 CA ILE B 15 2.366 3.590 -3.763 1.00 0.63 C ATOM 1230 C ILE B 15 1.798 4.647 -2.845 1.00 0.59 C ATOM 1231 O ILE B 15 0.595 4.788 -2.769 1.00 0.62 O ATOM 1232 CB ILE B 15 2.865 2.390 -2.949 1.00 0.69 C ATOM 1233 CG1 ILE B 15 3.150 1.234 -3.928 1.00 0.79 C ATOM 1234 CG2 ILE B 15 1.791 1.974 -1.927 1.00 0.82 C ATOM 1235 CD1 ILE B 15 3.810 0.080 -3.174 1.00 0.93 C ATOM 0 H ILE B 15 4.371 3.635 -4.464 1.00 0.58 H new ATOM 0 HA ILE B 15 1.583 3.259 -4.446 1.00 0.63 H new ATOM 0 HB ILE B 15 3.773 2.648 -2.405 1.00 0.69 H new ATOM 0 HG12 ILE B 15 2.222 0.897 -4.390 1.00 0.79 H new ATOM 0 HG13 ILE B 15 3.801 1.576 -4.733 1.00 0.79 H new ATOM 0 HG21 ILE B 15 2.149 1.121 -1.350 1.00 0.82 H new ATOM 0 HG22 ILE B 15 1.587 2.807 -1.254 1.00 0.82 H new ATOM 0 HG23 ILE B 15 0.876 1.699 -2.452 1.00 0.82 H new ATOM 0 HD11 ILE B 15 4.012 -0.738 -3.865 1.00 0.93 H new ATOM 0 HD12 ILE B 15 4.746 0.422 -2.733 1.00 0.93 H new ATOM 0 HD13 ILE B 15 3.143 -0.268 -2.385 1.00 0.93 H new ATOM 1247 N ARG B 16 2.666 5.354 -2.175 1.00 0.58 N ATOM 1248 CA ARG B 16 2.162 6.405 -1.254 1.00 0.58 C ATOM 1249 C ARG B 16 1.164 7.258 -2.018 1.00 0.55 C ATOM 1250 O ARG B 16 0.045 7.459 -1.589 1.00 0.56 O ATOM 1251 CB ARG B 16 3.322 7.296 -0.767 1.00 0.60 C ATOM 1252 CG ARG B 16 2.750 8.375 0.159 1.00 0.82 C ATOM 1253 CD ARG B 16 3.868 9.280 0.695 1.00 1.04 C ATOM 1254 NE ARG B 16 3.304 10.220 1.711 1.00 1.57 N ATOM 1255 CZ ARG B 16 2.967 9.764 2.900 1.00 2.08 C ATOM 1256 NH1 ARG B 16 1.759 9.272 3.053 1.00 2.68 N ATOM 1257 NH2 ARG B 16 3.845 9.818 3.878 1.00 2.60 N ATOM 0 H ARG B 16 3.680 5.252 -2.224 1.00 0.58 H new ATOM 0 HA ARG B 16 1.694 5.940 -0.386 1.00 0.58 H new ATOM 0 HB2 ARG B 16 4.064 6.697 -0.238 1.00 0.60 H new ATOM 0 HB3 ARG B 16 3.829 7.755 -1.616 1.00 0.60 H new ATOM 0 HG2 ARG B 16 2.018 8.975 -0.382 1.00 0.82 H new ATOM 0 HG3 ARG B 16 2.225 7.906 0.991 1.00 0.82 H new ATOM 0 HD2 ARG B 16 4.657 8.675 1.142 1.00 1.04 H new ATOM 0 HD3 ARG B 16 4.320 9.840 -0.123 1.00 1.04 H new ATOM 0 HE ARG B 16 3.181 11.207 1.485 1.00 1.57 H new ATOM 0 HH11 ARG B 16 1.113 9.251 2.264 1.00 2.68 H new ATOM 0 HH12 ARG B 16 1.467 8.911 3.961 1.00 2.68 H new ATOM 0 HH21 ARG B 16 4.772 10.209 3.710 1.00 2.60 H new ATOM 0 HH22 ARG B 16 3.599 9.469 4.804 1.00 2.60 H new ATOM 1271 N SER B 17 1.619 7.729 -3.138 1.00 0.57 N ATOM 1272 CA SER B 17 0.762 8.593 -3.978 1.00 0.60 C ATOM 1273 C SER B 17 -0.571 7.905 -4.271 1.00 0.56 C ATOM 1274 O SER B 17 -1.626 8.482 -4.098 1.00 0.55 O ATOM 1275 CB SER B 17 1.532 8.867 -5.248 1.00 0.68 C ATOM 1276 OG SER B 17 2.852 9.040 -4.745 1.00 0.72 O ATOM 0 H SER B 17 2.553 7.551 -3.508 1.00 0.57 H new ATOM 0 HA SER B 17 0.524 9.527 -3.469 1.00 0.60 H new ATOM 0 HB2 SER B 17 1.467 8.039 -5.954 1.00 0.68 H new ATOM 0 HB3 SER B 17 1.170 9.756 -5.764 1.00 0.68 H new ATOM 0 HG SER B 17 3.463 9.226 -5.488 1.00 0.72 H new ATOM 1282 N GLN B 18 -0.492 6.681 -4.703 1.00 0.57 N ATOM 1283 CA GLN B 18 -1.748 5.963 -5.026 1.00 0.57 C ATOM 1284 C GLN B 18 -2.653 5.908 -3.818 1.00 0.51 C ATOM 1285 O GLN B 18 -3.850 6.055 -3.936 1.00 0.51 O ATOM 1286 CB GLN B 18 -1.477 4.531 -5.431 1.00 0.65 C ATOM 1287 CG GLN B 18 -0.593 4.467 -6.659 1.00 0.91 C ATOM 1288 CD GLN B 18 -0.290 2.987 -6.863 1.00 1.11 C ATOM 1289 OE1 GLN B 18 0.830 2.612 -7.136 1.00 1.80 O ATOM 1290 NE2 GLN B 18 -1.252 2.112 -6.736 1.00 1.05 N ATOM 0 H GLN B 18 0.371 6.156 -4.844 1.00 0.57 H new ATOM 0 HA GLN B 18 -2.215 6.508 -5.846 1.00 0.57 H new ATOM 0 HB2 GLN B 18 -0.998 4.002 -4.607 1.00 0.65 H new ATOM 0 HB3 GLN B 18 -2.420 4.022 -5.632 1.00 0.65 H new ATOM 0 HG2 GLN B 18 -1.097 4.888 -7.529 1.00 0.91 H new ATOM 0 HG3 GLN B 18 0.323 5.039 -6.514 1.00 0.91 H new ATOM 0 HE21 GLN B 18 -2.196 2.422 -6.506 1.00 1.05 H new ATOM 0 HE22 GLN B 18 -1.059 1.119 -6.866 1.00 1.05 H new ATOM 1299 N THR B 19 -2.066 5.703 -2.681 1.00 0.48 N ATOM 1300 CA THR B 19 -2.911 5.597 -1.481 1.00 0.44 C ATOM 1301 C THR B 19 -3.696 6.885 -1.294 1.00 0.43 C ATOM 1302 O THR B 19 -4.824 6.854 -0.846 1.00 0.46 O ATOM 1303 CB THR B 19 -2.006 5.332 -0.298 1.00 0.46 C ATOM 1304 OG1 THR B 19 -1.145 4.268 -0.690 1.00 0.56 O ATOM 1305 CG2 THR B 19 -2.838 4.768 0.850 1.00 0.48 C ATOM 0 H THR B 19 -1.061 5.607 -2.535 1.00 0.48 H new ATOM 0 HA THR B 19 -3.629 4.783 -1.579 1.00 0.44 H new ATOM 0 HB THR B 19 -1.485 6.243 -0.003 1.00 0.46 H new ATOM 0 HG1 THR B 19 -0.472 4.606 -1.317 1.00 0.56 H new ATOM 0 HG21 THR B 19 -2.192 4.574 1.707 1.00 0.48 H new ATOM 0 HG22 THR B 19 -3.607 5.488 1.130 1.00 0.48 H new ATOM 0 HG23 THR B 19 -3.310 3.838 0.534 1.00 0.48 H new ATOM 1313 N LEU B 20 -3.091 7.984 -1.638 1.00 0.45 N ATOM 1314 CA LEU B 20 -3.836 9.253 -1.468 1.00 0.51 C ATOM 1315 C LEU B 20 -5.048 9.162 -2.374 1.00 0.53 C ATOM 1316 O LEU B 20 -6.152 9.494 -1.993 1.00 0.57 O ATOM 1317 CB LEU B 20 -2.965 10.438 -1.896 1.00 0.57 C ATOM 1318 CG LEU B 20 -3.741 11.769 -1.763 1.00 0.69 C ATOM 1319 CD1 LEU B 20 -4.158 12.016 -0.299 1.00 1.31 C ATOM 1320 CD2 LEU B 20 -2.833 12.917 -2.227 1.00 1.25 C ATOM 0 H LEU B 20 -2.147 8.058 -2.016 1.00 0.45 H new ATOM 0 HA LEU B 20 -4.122 9.403 -0.427 1.00 0.51 H new ATOM 0 HB2 LEU B 20 -2.065 10.474 -1.282 1.00 0.57 H new ATOM 0 HB3 LEU B 20 -2.641 10.303 -2.928 1.00 0.57 H new ATOM 0 HG LEU B 20 -4.640 11.717 -2.376 1.00 0.69 H new ATOM 0 HD11 LEU B 20 -4.702 12.958 -0.230 1.00 1.31 H new ATOM 0 HD12 LEU B 20 -4.798 11.201 0.039 1.00 1.31 H new ATOM 0 HD13 LEU B 20 -3.269 12.064 0.329 1.00 1.31 H new ATOM 0 HD21 LEU B 20 -3.368 13.863 -2.139 1.00 1.25 H new ATOM 0 HD22 LEU B 20 -1.938 12.947 -1.606 1.00 1.25 H new ATOM 0 HD23 LEU B 20 -2.548 12.758 -3.267 1.00 1.25 H new ATOM 1332 N THR B 21 -4.805 8.701 -3.562 1.00 0.59 N ATOM 1333 CA THR B 21 -5.920 8.603 -4.523 1.00 0.70 C ATOM 1334 C THR B 21 -6.998 7.651 -4.002 1.00 0.63 C ATOM 1335 O THR B 21 -8.177 7.885 -4.191 1.00 0.69 O ATOM 1336 CB THR B 21 -5.316 8.118 -5.833 1.00 0.85 C ATOM 1337 OG1 THR B 21 -4.102 8.855 -5.941 1.00 0.87 O ATOM 1338 CG2 THR B 21 -6.150 8.583 -7.037 1.00 1.02 C ATOM 0 H THR B 21 -3.895 8.392 -3.903 1.00 0.59 H new ATOM 0 HA THR B 21 -6.413 9.565 -4.667 1.00 0.70 H new ATOM 0 HB THR B 21 -5.233 7.031 -5.834 1.00 0.85 H new ATOM 0 HG1 THR B 21 -3.638 8.602 -6.767 1.00 0.87 H new ATOM 0 HG21 THR B 21 -5.693 8.221 -7.958 1.00 1.02 H new ATOM 0 HG22 THR B 21 -7.162 8.186 -6.954 1.00 1.02 H new ATOM 0 HG23 THR B 21 -6.188 9.672 -7.055 1.00 1.02 H new ATOM 1346 N LEU B 22 -6.581 6.598 -3.358 1.00 0.54 N ATOM 1347 CA LEU B 22 -7.595 5.644 -2.844 1.00 0.52 C ATOM 1348 C LEU B 22 -8.323 6.267 -1.675 1.00 0.45 C ATOM 1349 O LEU B 22 -9.490 6.004 -1.479 1.00 0.49 O ATOM 1350 CB LEU B 22 -6.943 4.340 -2.348 1.00 0.59 C ATOM 1351 CG LEU B 22 -6.759 3.274 -3.467 1.00 0.89 C ATOM 1352 CD1 LEU B 22 -8.125 2.787 -3.992 1.00 1.71 C ATOM 1353 CD2 LEU B 22 -5.928 3.818 -4.638 1.00 1.25 C ATOM 0 H LEU B 22 -5.607 6.362 -3.170 1.00 0.54 H new ATOM 0 HA LEU B 22 -8.278 5.416 -3.663 1.00 0.52 H new ATOM 0 HB2 LEU B 22 -5.970 4.572 -1.914 1.00 0.59 H new ATOM 0 HB3 LEU B 22 -7.555 3.917 -1.551 1.00 0.59 H new ATOM 0 HG LEU B 22 -6.223 2.436 -3.022 1.00 0.89 H new ATOM 0 HD11 LEU B 22 -7.970 2.043 -4.773 1.00 1.71 H new ATOM 0 HD12 LEU B 22 -8.692 2.342 -3.174 1.00 1.71 H new ATOM 0 HD13 LEU B 22 -8.680 3.632 -4.400 1.00 1.71 H new ATOM 0 HD21 LEU B 22 -5.822 3.045 -5.399 1.00 1.25 H new ATOM 0 HD22 LEU B 22 -6.430 4.684 -5.069 1.00 1.25 H new ATOM 0 HD23 LEU B 22 -4.942 4.112 -4.279 1.00 1.25 H new ATOM 1365 N LEU B 23 -7.618 7.074 -0.937 1.00 0.43 N ATOM 1366 CA LEU B 23 -8.250 7.700 0.250 1.00 0.44 C ATOM 1367 C LEU B 23 -9.510 8.419 -0.162 1.00 0.48 C ATOM 1368 O LEU B 23 -10.559 8.184 0.406 1.00 0.52 O ATOM 1369 CB LEU B 23 -7.287 8.704 0.887 1.00 0.53 C ATOM 1370 CG LEU B 23 -7.926 9.362 2.129 1.00 0.73 C ATOM 1371 CD1 LEU B 23 -8.316 8.297 3.168 1.00 1.08 C ATOM 1372 CD2 LEU B 23 -6.911 10.330 2.753 1.00 1.05 C ATOM 0 H LEU B 23 -6.643 7.324 -1.102 1.00 0.43 H new ATOM 0 HA LEU B 23 -8.491 6.919 0.971 1.00 0.44 H new ATOM 0 HB2 LEU B 23 -6.364 8.199 1.171 1.00 0.53 H new ATOM 0 HB3 LEU B 23 -7.020 9.471 0.160 1.00 0.53 H new ATOM 0 HG LEU B 23 -8.826 9.897 1.825 1.00 0.73 H new ATOM 0 HD11 LEU B 23 -8.764 8.782 4.035 1.00 1.08 H new ATOM 0 HD12 LEU B 23 -9.034 7.605 2.728 1.00 1.08 H new ATOM 0 HD13 LEU B 23 -7.427 7.749 3.478 1.00 1.08 H new ATOM 0 HD21 LEU B 23 -7.351 10.802 3.632 1.00 1.05 H new ATOM 0 HD22 LEU B 23 -6.016 9.780 3.046 1.00 1.05 H new ATOM 0 HD23 LEU B 23 -6.644 11.096 2.025 1.00 1.05 H new ATOM 1384 N GLU B 24 -9.350 9.269 -1.137 1.00 0.57 N ATOM 1385 CA GLU B 24 -10.508 10.058 -1.637 1.00 0.71 C ATOM 1386 C GLU B 24 -11.708 9.141 -1.763 1.00 0.67 C ATOM 1387 O GLU B 24 -12.759 9.336 -1.190 1.00 0.69 O ATOM 1388 CB GLU B 24 -10.288 10.606 -3.037 1.00 0.90 C ATOM 1389 CG GLU B 24 -8.921 11.204 -3.297 1.00 1.37 C ATOM 1390 CD GLU B 24 -8.927 11.415 -4.806 1.00 1.52 C ATOM 1391 OE1 GLU B 24 -9.928 11.920 -5.277 1.00 1.83 O ATOM 1392 OE2 GLU B 24 -7.956 11.050 -5.436 1.00 1.84 O ATOM 0 H GLU B 24 -8.465 9.451 -1.610 1.00 0.57 H new ATOM 0 HA GLU B 24 -10.647 10.877 -0.931 1.00 0.71 H new ATOM 0 HB2 GLU B 24 -10.455 9.802 -3.753 1.00 0.90 H new ATOM 0 HB3 GLU B 24 -11.042 11.369 -3.232 1.00 0.90 H new ATOM 0 HG2 GLU B 24 -8.780 12.141 -2.758 1.00 1.37 H new ATOM 0 HG3 GLU B 24 -8.120 10.533 -2.985 1.00 1.37 H new ATOM 1399 N LYS B 25 -11.466 8.132 -2.540 1.00 0.67 N ATOM 1400 CA LYS B 25 -12.539 7.168 -2.828 1.00 0.72 C ATOM 1401 C LYS B 25 -13.098 6.550 -1.574 1.00 0.68 C ATOM 1402 O LYS B 25 -14.294 6.557 -1.404 1.00 0.75 O ATOM 1403 CB LYS B 25 -11.980 6.090 -3.750 1.00 0.81 C ATOM 1404 CG LYS B 25 -11.204 6.772 -4.914 1.00 0.95 C ATOM 1405 CD LYS B 25 -12.025 7.921 -5.553 1.00 1.36 C ATOM 1406 CE LYS B 25 -11.186 8.621 -6.645 1.00 1.57 C ATOM 1407 NZ LYS B 25 -9.882 9.119 -6.122 1.00 1.86 N ATOM 0 H LYS B 25 -10.570 7.937 -2.986 1.00 0.67 H new ATOM 0 HA LYS B 25 -13.363 7.694 -3.310 1.00 0.72 H new ATOM 0 HB2 LYS B 25 -11.318 5.426 -3.195 1.00 0.81 H new ATOM 0 HB3 LYS B 25 -12.789 5.476 -4.146 1.00 0.81 H new ATOM 0 HG2 LYS B 25 -10.258 7.164 -4.540 1.00 0.95 H new ATOM 0 HG3 LYS B 25 -10.963 6.030 -5.675 1.00 0.95 H new ATOM 0 HD2 LYS B 25 -12.944 7.526 -5.985 1.00 1.36 H new ATOM 0 HD3 LYS B 25 -12.316 8.641 -4.788 1.00 1.36 H new ATOM 0 HE2 LYS B 25 -11.005 7.924 -7.464 1.00 1.57 H new ATOM 0 HE3 LYS B 25 -11.753 9.456 -7.057 1.00 1.57 H new ATOM 0 HZ1 LYS B 25 -9.807 10.142 -6.294 1.00 1.86 H new ATOM 0 HZ2 LYS B 25 -9.824 8.934 -5.100 1.00 1.86 H new ATOM 0 HZ3 LYS B 25 -9.103 8.629 -6.607 1.00 1.86 H new ATOM 1421 N LEU B 26 -12.268 6.037 -0.720 1.00 0.65 N ATOM 1422 CA LEU B 26 -12.823 5.403 0.505 1.00 0.67 C ATOM 1423 C LEU B 26 -13.699 6.388 1.254 1.00 0.65 C ATOM 1424 O LEU B 26 -14.634 6.005 1.926 1.00 0.73 O ATOM 1425 CB LEU B 26 -11.677 4.954 1.401 1.00 0.68 C ATOM 1426 CG LEU B 26 -10.831 3.900 0.648 1.00 0.80 C ATOM 1427 CD1 LEU B 26 -9.564 3.640 1.450 1.00 1.21 C ATOM 1428 CD2 LEU B 26 -11.603 2.571 0.517 1.00 1.22 C ATOM 0 H LEU B 26 -11.252 6.026 -0.809 1.00 0.65 H new ATOM 0 HA LEU B 26 -13.427 4.542 0.220 1.00 0.67 H new ATOM 0 HB2 LEU B 26 -11.057 5.808 1.676 1.00 0.68 H new ATOM 0 HB3 LEU B 26 -12.067 4.532 2.327 1.00 0.68 H new ATOM 0 HG LEU B 26 -10.601 4.277 -0.349 1.00 0.80 H new ATOM 0 HD11 LEU B 26 -8.953 2.899 0.935 1.00 1.21 H new ATOM 0 HD12 LEU B 26 -9.001 4.568 1.551 1.00 1.21 H new ATOM 0 HD13 LEU B 26 -9.830 3.267 2.439 1.00 1.21 H new ATOM 0 HD21 LEU B 26 -10.989 1.845 -0.016 1.00 1.22 H new ATOM 0 HD22 LEU B 26 -11.839 2.188 1.510 1.00 1.22 H new ATOM 0 HD23 LEU B 26 -12.527 2.740 -0.036 1.00 1.22 H new ATOM 1440 N ASN B 27 -13.384 7.641 1.126 1.00 0.60 N ATOM 1441 CA ASN B 27 -14.215 8.634 1.846 1.00 0.66 C ATOM 1442 C ASN B 27 -15.589 8.614 1.211 1.00 0.68 C ATOM 1443 O ASN B 27 -16.591 8.692 1.892 1.00 0.79 O ATOM 1444 CB ASN B 27 -13.625 10.041 1.707 1.00 0.76 C ATOM 1445 CG ASN B 27 -12.176 10.071 2.213 1.00 1.02 C ATOM 1446 OD1 ASN B 27 -11.684 9.049 2.864 1.00 1.70 O flip ATOM 1447 ND2 ASN B 27 -11.467 11.039 2.017 1.00 1.70 N flip ATOM 0 H ASN B 27 -12.612 8.013 0.572 1.00 0.60 H new ATOM 0 HA ASN B 27 -14.256 8.384 2.906 1.00 0.66 H new ATOM 0 HB2 ASN B 27 -13.658 10.354 0.663 1.00 0.76 H new ATOM 0 HB3 ASN B 27 -14.228 10.752 2.272 1.00 0.76 H new ATOM 0 HD21 ASN B 27 -11.833 11.845 1.511 1.00 1.70 H new ATOM 0 HD22 ASN B 27 -10.506 11.045 2.358 1.00 1.70 H new ATOM 1454 N GLU B 28 -15.608 8.507 -0.084 1.00 0.70 N ATOM 1455 CA GLU B 28 -16.919 8.489 -0.782 1.00 0.83 C ATOM 1456 C GLU B 28 -17.641 7.166 -0.576 1.00 0.86 C ATOM 1457 O GLU B 28 -18.852 7.125 -0.524 1.00 0.97 O ATOM 1458 CB GLU B 28 -16.750 8.645 -2.278 1.00 1.00 C ATOM 1459 CG GLU B 28 -15.859 9.814 -2.636 1.00 1.12 C ATOM 1460 CD GLU B 28 -15.901 9.887 -4.153 1.00 1.86 C ATOM 1461 OE1 GLU B 28 -15.169 9.136 -4.776 1.00 2.61 O ATOM 1462 OE2 GLU B 28 -16.683 10.693 -4.625 1.00 2.24 O ATOM 0 H GLU B 28 -14.786 8.432 -0.683 1.00 0.70 H new ATOM 0 HA GLU B 28 -17.489 9.317 -0.362 1.00 0.83 H new ATOM 0 HB2 GLU B 28 -16.328 7.729 -2.691 1.00 1.00 H new ATOM 0 HB3 GLU B 28 -17.728 8.782 -2.740 1.00 1.00 H new ATOM 0 HG2 GLU B 28 -16.220 10.739 -2.186 1.00 1.12 H new ATOM 0 HG3 GLU B 28 -14.842 9.660 -2.276 1.00 1.12 H new ATOM 1469 N LEU B 29 -16.880 6.119 -0.463 1.00 0.84 N ATOM 1470 CA LEU B 29 -17.488 4.768 -0.328 1.00 0.98 C ATOM 1471 C LEU B 29 -18.034 4.444 1.039 1.00 1.03 C ATOM 1472 O LEU B 29 -18.196 3.278 1.345 1.00 1.19 O ATOM 1473 CB LEU B 29 -16.453 3.725 -0.692 1.00 1.02 C ATOM 1474 CG LEU B 29 -15.898 4.036 -2.096 1.00 1.07 C ATOM 1475 CD1 LEU B 29 -14.705 3.123 -2.329 1.00 1.79 C ATOM 1476 CD2 LEU B 29 -16.935 3.766 -3.184 1.00 1.43 C ATOM 0 H LEU B 29 -15.860 6.139 -0.458 1.00 0.84 H new ATOM 0 HA LEU B 29 -18.344 4.763 -1.003 1.00 0.98 H new ATOM 0 HB2 LEU B 29 -15.646 3.725 0.040 1.00 1.02 H new ATOM 0 HB3 LEU B 29 -16.899 2.731 -0.675 1.00 1.02 H new ATOM 0 HG LEU B 29 -15.624 5.090 -2.145 1.00 1.07 H new ATOM 0 HD11 LEU B 29 -14.286 3.317 -3.316 1.00 1.79 H new ATOM 0 HD12 LEU B 29 -13.947 3.314 -1.569 1.00 1.79 H new ATOM 0 HD13 LEU B 29 -15.025 2.083 -2.268 1.00 1.79 H new ATOM 0 HD21 LEU B 29 -16.507 3.997 -4.160 1.00 1.43 H new ATOM 0 HD22 LEU B 29 -17.228 2.716 -3.155 1.00 1.43 H new ATOM 0 HD23 LEU B 29 -17.811 4.392 -3.015 1.00 1.43 H new ATOM 1488 N ASP B 30 -18.298 5.453 1.824 1.00 0.98 N ATOM 1489 CA ASP B 30 -18.849 5.200 3.186 1.00 1.11 C ATOM 1490 C ASP B 30 -17.894 4.235 3.848 1.00 1.16 C ATOM 1491 O ASP B 30 -18.296 3.397 4.630 1.00 1.63 O ATOM 1492 CB ASP B 30 -20.222 4.529 3.126 1.00 1.35 C ATOM 1493 CG ASP B 30 -21.120 5.282 2.149 1.00 1.82 C ATOM 1494 OD1 ASP B 30 -21.697 6.256 2.594 1.00 2.45 O ATOM 1495 OD2 ASP B 30 -21.180 4.836 1.013 1.00 2.23 O ATOM 0 H ASP B 30 -18.157 6.434 1.584 1.00 0.98 H new ATOM 0 HA ASP B 30 -18.957 6.144 3.721 1.00 1.11 H new ATOM 0 HB2 ASP B 30 -20.117 3.491 2.812 1.00 1.35 H new ATOM 0 HB3 ASP B 30 -20.676 4.518 4.117 1.00 1.35 H new ATOM 1500 N ALA B 31 -16.646 4.377 3.506 1.00 0.84 N ATOM 1501 CA ALA B 31 -15.615 3.471 4.066 1.00 0.87 C ATOM 1502 C ALA B 31 -14.743 4.296 4.989 1.00 0.76 C ATOM 1503 O ALA B 31 -13.588 4.551 4.710 1.00 0.75 O ATOM 1504 CB ALA B 31 -14.808 2.899 2.913 1.00 0.89 C ATOM 0 H ALA B 31 -16.297 5.085 2.860 1.00 0.84 H new ATOM 0 HA ALA B 31 -16.052 2.644 4.625 1.00 0.87 H new ATOM 0 HB1 ALA B 31 -14.042 2.228 3.302 1.00 0.89 H new ATOM 0 HB2 ALA B 31 -15.469 2.346 2.245 1.00 0.89 H new ATOM 0 HB3 ALA B 31 -14.333 3.711 2.363 1.00 0.89 H new ATOM 1510 N ASP B 32 -15.359 4.682 6.068 1.00 0.85 N ATOM 1511 CA ASP B 32 -14.678 5.517 7.095 1.00 0.87 C ATOM 1512 C ASP B 32 -13.456 4.829 7.673 1.00 0.79 C ATOM 1513 O ASP B 32 -12.366 5.356 7.591 1.00 0.74 O ATOM 1514 CB ASP B 32 -15.653 5.836 8.241 1.00 1.11 C ATOM 1515 CG ASP B 32 -16.165 4.544 8.882 1.00 2.05 C ATOM 1516 OD1 ASP B 32 -16.825 3.797 8.174 1.00 2.83 O ATOM 1517 OD2 ASP B 32 -15.862 4.371 10.048 1.00 2.57 O ATOM 0 H ASP B 32 -16.328 4.449 6.287 1.00 0.85 H new ATOM 0 HA ASP B 32 -14.354 6.433 6.600 1.00 0.87 H new ATOM 0 HB2 ASP B 32 -15.154 6.449 8.992 1.00 1.11 H new ATOM 0 HB3 ASP B 32 -16.492 6.418 7.861 1.00 1.11 H new ATOM 1522 N GLU B 33 -13.626 3.679 8.248 1.00 0.86 N ATOM 1523 CA GLU B 33 -12.443 2.999 8.820 1.00 0.90 C ATOM 1524 C GLU B 33 -11.465 2.643 7.716 1.00 0.78 C ATOM 1525 O GLU B 33 -10.285 2.502 7.956 1.00 0.79 O ATOM 1526 CB GLU B 33 -12.874 1.714 9.571 1.00 1.07 C ATOM 1527 CG GLU B 33 -14.252 1.190 9.136 1.00 1.58 C ATOM 1528 CD GLU B 33 -14.222 0.830 7.665 1.00 1.74 C ATOM 1529 OE1 GLU B 33 -13.781 -0.267 7.378 1.00 2.15 O ATOM 1530 OE2 GLU B 33 -14.643 1.658 6.880 1.00 2.11 O ATOM 0 H GLU B 33 -14.515 3.188 8.346 1.00 0.86 H new ATOM 0 HA GLU B 33 -11.958 3.675 9.524 1.00 0.90 H new ATOM 0 HB2 GLU B 33 -12.128 0.937 9.405 1.00 1.07 H new ATOM 0 HB3 GLU B 33 -12.891 1.916 10.642 1.00 1.07 H new ATOM 0 HG2 GLU B 33 -14.523 0.316 9.728 1.00 1.58 H new ATOM 0 HG3 GLU B 33 -15.014 1.948 9.319 1.00 1.58 H new ATOM 1537 N GLN B 34 -11.943 2.497 6.517 1.00 0.71 N ATOM 1538 CA GLN B 34 -10.968 2.162 5.453 1.00 0.67 C ATOM 1539 C GLN B 34 -10.210 3.435 5.176 1.00 0.57 C ATOM 1540 O GLN B 34 -9.076 3.382 4.755 1.00 0.53 O ATOM 1541 CB GLN B 34 -11.657 1.736 4.170 1.00 0.72 C ATOM 1542 CG GLN B 34 -12.627 0.583 4.423 1.00 0.88 C ATOM 1543 CD GLN B 34 -11.860 -0.639 4.913 1.00 1.49 C ATOM 1544 OE1 GLN B 34 -11.333 -0.650 6.106 1.00 2.26 O flip ATOM 1545 NE2 GLN B 34 -11.740 -1.610 4.195 1.00 1.80 N flip ATOM 0 H GLN B 34 -12.919 2.590 6.236 1.00 0.71 H new ATOM 0 HA GLN B 34 -10.332 1.338 5.778 1.00 0.67 H new ATOM 0 HB2 GLN B 34 -12.196 2.582 3.745 1.00 0.72 H new ATOM 0 HB3 GLN B 34 -10.910 1.433 3.436 1.00 0.72 H new ATOM 0 HG2 GLN B 34 -13.371 0.877 5.163 1.00 0.88 H new ATOM 0 HG3 GLN B 34 -13.166 0.342 3.507 1.00 0.88 H new ATOM 0 HE21 GLN B 34 -12.150 -1.607 3.261 1.00 1.80 H new ATOM 0 HE22 GLN B 34 -11.229 -2.429 4.526 1.00 1.80 H new ATOM 1554 N ALA B 35 -10.849 4.547 5.412 1.00 0.58 N ATOM 1555 CA ALA B 35 -10.128 5.817 5.156 1.00 0.56 C ATOM 1556 C ALA B 35 -8.966 5.792 6.117 1.00 0.56 C ATOM 1557 O ALA B 35 -7.837 5.859 5.690 1.00 0.54 O ATOM 1558 CB ALA B 35 -10.994 7.040 5.467 1.00 0.65 C ATOM 0 H ALA B 35 -11.805 4.630 5.759 1.00 0.58 H new ATOM 0 HA ALA B 35 -9.837 5.894 4.108 1.00 0.56 H new ATOM 0 HB1 ALA B 35 -10.426 7.948 5.265 1.00 0.65 H new ATOM 0 HB2 ALA B 35 -11.886 7.023 4.841 1.00 0.65 H new ATOM 0 HB3 ALA B 35 -11.287 7.021 6.517 1.00 0.65 H new ATOM 1564 N ASP B 36 -9.286 5.688 7.378 1.00 0.62 N ATOM 1565 CA ASP B 36 -8.213 5.647 8.419 1.00 0.67 C ATOM 1566 C ASP B 36 -7.112 4.687 8.037 1.00 0.60 C ATOM 1567 O ASP B 36 -5.959 5.040 7.910 1.00 0.62 O ATOM 1568 CB ASP B 36 -8.761 5.173 9.752 1.00 0.79 C ATOM 1569 CG ASP B 36 -7.576 4.626 10.553 1.00 1.21 C ATOM 1570 OD1 ASP B 36 -6.716 5.419 10.894 1.00 1.67 O ATOM 1571 OD2 ASP B 36 -7.604 3.427 10.777 1.00 1.65 O ATOM 0 H ASP B 36 -10.240 5.630 7.734 1.00 0.62 H new ATOM 0 HA ASP B 36 -7.827 6.663 8.497 1.00 0.67 H new ATOM 0 HB2 ASP B 36 -9.241 5.993 10.285 1.00 0.79 H new ATOM 0 HB3 ASP B 36 -9.517 4.402 9.606 1.00 0.79 H new ATOM 1576 N ILE B 37 -7.516 3.469 7.864 1.00 0.55 N ATOM 1577 CA ILE B 37 -6.542 2.420 7.495 1.00 0.52 C ATOM 1578 C ILE B 37 -5.784 2.835 6.235 1.00 0.47 C ATOM 1579 O ILE B 37 -4.636 2.482 6.053 1.00 0.50 O ATOM 1580 CB ILE B 37 -7.349 1.126 7.301 1.00 0.53 C ATOM 1581 CG1 ILE B 37 -7.895 0.728 8.694 1.00 0.68 C ATOM 1582 CG2 ILE B 37 -6.471 -0.001 6.751 1.00 0.57 C ATOM 1583 CD1 ILE B 37 -8.772 -0.524 8.593 1.00 1.12 C ATOM 0 H ILE B 37 -8.481 3.154 7.962 1.00 0.55 H new ATOM 0 HA ILE B 37 -5.786 2.267 8.265 1.00 0.52 H new ATOM 0 HB ILE B 37 -8.152 1.289 6.583 1.00 0.53 H new ATOM 0 HG12 ILE B 37 -7.065 0.543 9.376 1.00 0.68 H new ATOM 0 HG13 ILE B 37 -8.474 1.551 9.112 1.00 0.68 H new ATOM 0 HG21 ILE B 37 -7.072 -0.902 6.625 1.00 0.57 H new ATOM 0 HG22 ILE B 37 -6.058 0.297 5.787 1.00 0.57 H new ATOM 0 HG23 ILE B 37 -5.658 -0.202 7.448 1.00 0.57 H new ATOM 0 HD11 ILE B 37 -9.146 -0.787 9.582 1.00 1.12 H new ATOM 0 HD12 ILE B 37 -9.613 -0.327 7.928 1.00 1.12 H new ATOM 0 HD13 ILE B 37 -8.182 -1.350 8.196 1.00 1.12 H new ATOM 1595 N CYS B 38 -6.426 3.578 5.384 1.00 0.45 N ATOM 1596 CA CYS B 38 -5.737 3.990 4.136 1.00 0.47 C ATOM 1597 C CYS B 38 -4.824 5.168 4.403 1.00 0.50 C ATOM 1598 O CYS B 38 -3.849 5.344 3.706 1.00 0.57 O ATOM 1599 CB CYS B 38 -6.759 4.390 3.079 1.00 0.48 C ATOM 1600 SG CYS B 38 -6.145 4.886 1.449 1.00 0.70 S ATOM 0 H CYS B 38 -7.383 3.914 5.495 1.00 0.45 H new ATOM 0 HA CYS B 38 -5.148 3.146 3.778 1.00 0.47 H new ATOM 0 HB2 CYS B 38 -7.440 3.551 2.938 1.00 0.48 H new ATOM 0 HB3 CYS B 38 -7.348 5.215 3.479 1.00 0.48 H new ATOM 0 HG CYS B 38 -7.026 4.582 0.543 1.00 0.70 H new ATOM 1606 N GLU B 39 -5.138 5.956 5.386 1.00 0.54 N ATOM 1607 CA GLU B 39 -4.263 7.117 5.673 1.00 0.62 C ATOM 1608 C GLU B 39 -3.023 6.513 6.295 1.00 0.58 C ATOM 1609 O GLU B 39 -1.904 6.889 6.013 1.00 0.57 O ATOM 1610 CB GLU B 39 -4.997 8.041 6.639 1.00 0.75 C ATOM 1611 CG GLU B 39 -6.202 8.586 5.884 1.00 1.35 C ATOM 1612 CD GLU B 39 -7.165 9.221 6.872 1.00 2.07 C ATOM 1613 OE1 GLU B 39 -6.688 10.061 7.616 1.00 2.39 O ATOM 1614 OE2 GLU B 39 -8.317 8.825 6.818 1.00 2.82 O ATOM 0 H GLU B 39 -5.950 5.850 5.995 1.00 0.54 H new ATOM 0 HA GLU B 39 -4.003 7.711 4.797 1.00 0.62 H new ATOM 0 HB2 GLU B 39 -5.311 7.499 7.531 1.00 0.75 H new ATOM 0 HB3 GLU B 39 -4.347 8.851 6.970 1.00 0.75 H new ATOM 0 HG2 GLU B 39 -5.882 9.322 5.146 1.00 1.35 H new ATOM 0 HG3 GLU B 39 -6.698 7.783 5.339 1.00 1.35 H new ATOM 1621 N SER B 40 -3.269 5.569 7.143 1.00 0.63 N ATOM 1622 CA SER B 40 -2.143 4.892 7.797 1.00 0.64 C ATOM 1623 C SER B 40 -1.359 4.206 6.683 1.00 0.58 C ATOM 1624 O SER B 40 -0.150 4.240 6.656 1.00 0.63 O ATOM 1625 CB SER B 40 -2.746 3.918 8.790 1.00 0.72 C ATOM 1626 OG SER B 40 -3.559 4.789 9.567 1.00 0.77 O ATOM 0 H SER B 40 -4.198 5.241 7.408 1.00 0.63 H new ATOM 0 HA SER B 40 -1.464 5.550 8.340 1.00 0.64 H new ATOM 0 HB2 SER B 40 -3.329 3.138 8.300 1.00 0.72 H new ATOM 0 HB3 SER B 40 -1.986 3.418 9.391 1.00 0.72 H new ATOM 0 HG SER B 40 -4.461 4.823 9.184 1.00 0.77 H new ATOM 1632 N LEU B 41 -2.068 3.601 5.773 1.00 0.54 N ATOM 1633 CA LEU B 41 -1.377 2.897 4.657 1.00 0.53 C ATOM 1634 C LEU B 41 -0.545 3.905 3.883 1.00 0.50 C ATOM 1635 O LEU B 41 0.561 3.633 3.461 1.00 0.55 O ATOM 1636 CB LEU B 41 -2.408 2.284 3.701 1.00 0.56 C ATOM 1637 CG LEU B 41 -1.725 1.345 2.683 1.00 0.63 C ATOM 1638 CD1 LEU B 41 -1.337 0.035 3.378 1.00 1.05 C ATOM 1639 CD2 LEU B 41 -2.699 1.030 1.540 1.00 1.22 C ATOM 0 H LEU B 41 -3.087 3.563 5.752 1.00 0.54 H new ATOM 0 HA LEU B 41 -0.747 2.108 5.068 1.00 0.53 H new ATOM 0 HB2 LEU B 41 -3.153 1.729 4.271 1.00 0.56 H new ATOM 0 HB3 LEU B 41 -2.937 3.077 3.172 1.00 0.56 H new ATOM 0 HG LEU B 41 -0.835 1.833 2.286 1.00 0.63 H new ATOM 0 HD11 LEU B 41 -0.855 -0.629 2.660 1.00 1.05 H new ATOM 0 HD12 LEU B 41 -0.648 0.247 4.196 1.00 1.05 H new ATOM 0 HD13 LEU B 41 -2.232 -0.446 3.773 1.00 1.05 H new ATOM 0 HD21 LEU B 41 -2.216 0.367 0.822 1.00 1.22 H new ATOM 0 HD22 LEU B 41 -3.587 0.543 1.943 1.00 1.22 H new ATOM 0 HD23 LEU B 41 -2.987 1.956 1.042 1.00 1.22 H new ATOM 1651 N HIS B 42 -1.133 5.051 3.730 1.00 0.50 N ATOM 1652 CA HIS B 42 -0.496 6.153 2.965 1.00 0.53 C ATOM 1653 C HIS B 42 0.897 6.415 3.490 1.00 0.55 C ATOM 1654 O HIS B 42 1.854 6.413 2.743 1.00 0.63 O ATOM 1655 CB HIS B 42 -1.371 7.407 3.107 1.00 0.54 C ATOM 1656 CG HIS B 42 -1.004 8.524 2.131 1.00 0.60 C ATOM 1657 ND1 HIS B 42 -0.417 8.407 0.982 1.00 0.61 N ATOM 1658 CD2 HIS B 42 -1.225 9.886 2.265 1.00 1.21 C ATOM 1659 CE1 HIS B 42 -0.286 9.581 0.449 1.00 0.64 C ATOM 1660 NE2 HIS B 42 -0.771 10.528 1.210 1.00 1.13 N ATOM 0 H HIS B 42 -2.051 5.277 4.112 1.00 0.50 H new ATOM 0 HA HIS B 42 -0.411 5.880 1.913 1.00 0.53 H new ATOM 0 HB2 HIS B 42 -2.414 7.131 2.954 1.00 0.54 H new ATOM 0 HB3 HIS B 42 -1.287 7.785 4.126 1.00 0.54 H new ATOM 0 HD2 HIS B 42 -1.702 10.353 3.114 1.00 1.21 H new ATOM 0 HE1 HIS B 42 0.171 9.757 -0.513 1.00 0.64 H new ATOM 0 HE2 HIS B 42 -0.792 11.531 1.028 1.00 1.13 H new ATOM 1668 N ASP B 43 0.999 6.637 4.767 1.00 0.56 N ATOM 1669 CA ASP B 43 2.358 6.921 5.300 1.00 0.64 C ATOM 1670 C ASP B 43 3.157 5.661 5.527 1.00 0.60 C ATOM 1671 O ASP B 43 4.362 5.680 5.426 1.00 0.62 O ATOM 1672 CB ASP B 43 2.282 7.648 6.623 1.00 0.80 C ATOM 1673 CG ASP B 43 3.722 7.840 7.088 1.00 1.22 C ATOM 1674 OD1 ASP B 43 4.433 8.554 6.401 1.00 1.86 O ATOM 1675 OD2 ASP B 43 4.033 7.258 8.108 1.00 1.51 O ATOM 0 H ASP B 43 0.235 6.636 5.443 1.00 0.56 H new ATOM 0 HA ASP B 43 2.849 7.537 4.546 1.00 0.64 H new ATOM 0 HB2 ASP B 43 1.778 8.608 6.511 1.00 0.80 H new ATOM 0 HB3 ASP B 43 1.712 7.072 7.351 1.00 0.80 H new ATOM 1680 N HIS B 44 2.508 4.579 5.824 1.00 0.60 N ATOM 1681 CA HIS B 44 3.302 3.342 6.052 1.00 0.63 C ATOM 1682 C HIS B 44 3.946 2.937 4.746 1.00 0.60 C ATOM 1683 O HIS B 44 4.973 2.288 4.717 1.00 0.68 O ATOM 1684 CB HIS B 44 2.403 2.220 6.533 1.00 0.65 C ATOM 1685 CG HIS B 44 1.810 2.631 7.879 1.00 1.02 C ATOM 1686 ND1 HIS B 44 2.133 3.695 8.545 1.00 1.67 N ATOM 1687 CD2 HIS B 44 0.847 2.014 8.661 1.00 1.54 C ATOM 1688 CE1 HIS B 44 1.442 3.744 9.639 1.00 2.24 C ATOM 1689 NE2 HIS B 44 0.631 2.722 9.752 1.00 2.16 N ATOM 0 H HIS B 44 1.496 4.492 5.918 1.00 0.60 H new ATOM 0 HA HIS B 44 4.061 3.533 6.810 1.00 0.63 H new ATOM 0 HB2 HIS B 44 1.610 2.031 5.809 1.00 0.65 H new ATOM 0 HB3 HIS B 44 2.970 1.295 6.634 1.00 0.65 H new ATOM 0 HD2 HIS B 44 0.347 1.089 8.413 1.00 1.54 H new ATOM 0 HE1 HIS B 44 1.525 4.534 10.371 1.00 2.24 H new ATOM 0 HE2 HIS B 44 -0.020 2.520 10.511 1.00 2.16 H new ATOM 1697 N ALA B 45 3.329 3.326 3.671 1.00 0.57 N ATOM 1698 CA ALA B 45 3.933 2.970 2.365 1.00 0.62 C ATOM 1699 C ALA B 45 5.184 3.814 2.320 1.00 0.59 C ATOM 1700 O ALA B 45 6.211 3.432 1.796 1.00 0.61 O ATOM 1701 CB ALA B 45 3.012 3.365 1.214 1.00 0.70 C ATOM 0 H ALA B 45 2.460 3.859 3.637 1.00 0.57 H new ATOM 0 HA ALA B 45 4.117 1.900 2.267 1.00 0.62 H new ATOM 0 HB1 ALA B 45 3.477 3.094 0.266 1.00 0.70 H new ATOM 0 HB2 ALA B 45 2.060 2.843 1.314 1.00 0.70 H new ATOM 0 HB3 ALA B 45 2.840 4.441 1.239 1.00 0.70 H new ATOM 1707 N ASP B 46 5.044 4.970 2.898 1.00 0.60 N ATOM 1708 CA ASP B 46 6.195 5.899 2.922 1.00 0.65 C ATOM 1709 C ASP B 46 7.145 5.396 4.000 1.00 0.65 C ATOM 1710 O ASP B 46 8.308 5.725 3.998 1.00 0.65 O ATOM 1711 CB ASP B 46 5.695 7.311 3.245 1.00 0.76 C ATOM 1712 CG ASP B 46 6.746 8.378 2.905 1.00 0.88 C ATOM 1713 OD1 ASP B 46 7.907 8.044 2.793 1.00 1.04 O ATOM 1714 OD2 ASP B 46 6.345 9.514 2.759 1.00 1.45 O ATOM 0 H ASP B 46 4.193 5.306 3.349 1.00 0.60 H new ATOM 0 HA ASP B 46 6.707 5.938 1.960 1.00 0.65 H new ATOM 0 HB2 ASP B 46 4.781 7.510 2.686 1.00 0.76 H new ATOM 0 HB3 ASP B 46 5.442 7.374 4.303 1.00 0.76 H new ATOM 1719 N GLU B 47 6.676 4.610 4.920 1.00 0.71 N ATOM 1720 CA GLU B 47 7.644 4.127 5.933 1.00 0.81 C ATOM 1721 C GLU B 47 8.555 3.157 5.232 1.00 0.75 C ATOM 1722 O GLU B 47 9.734 3.094 5.505 1.00 0.81 O ATOM 1723 CB GLU B 47 6.950 3.383 7.084 1.00 0.97 C ATOM 1724 CG GLU B 47 6.304 4.364 8.061 1.00 1.17 C ATOM 1725 CD GLU B 47 7.394 4.968 8.957 1.00 1.52 C ATOM 1726 OE1 GLU B 47 8.557 4.845 8.612 1.00 1.97 O ATOM 1727 OE2 GLU B 47 7.002 5.538 9.959 1.00 2.02 O ATOM 0 H GLU B 47 5.711 4.292 5.015 1.00 0.71 H new ATOM 0 HA GLU B 47 8.174 4.980 6.358 1.00 0.81 H new ATOM 0 HB2 GLU B 47 6.191 2.712 6.682 1.00 0.97 H new ATOM 0 HB3 GLU B 47 7.676 2.764 7.611 1.00 0.97 H new ATOM 0 HG2 GLU B 47 5.786 5.152 7.515 1.00 1.17 H new ATOM 0 HG3 GLU B 47 5.557 3.853 8.669 1.00 1.17 H new ATOM 1734 N LEU B 48 7.987 2.412 4.332 1.00 0.72 N ATOM 1735 CA LEU B 48 8.842 1.437 3.615 1.00 0.77 C ATOM 1736 C LEU B 48 9.822 2.307 2.840 1.00 0.68 C ATOM 1737 O LEU B 48 11.005 2.051 2.799 1.00 0.93 O ATOM 1738 CB LEU B 48 7.976 0.604 2.657 1.00 0.85 C ATOM 1739 CG LEU B 48 8.589 -0.798 2.371 1.00 0.87 C ATOM 1740 CD1 LEU B 48 10.038 -0.708 1.862 1.00 1.52 C ATOM 1741 CD2 LEU B 48 8.544 -1.665 3.647 1.00 1.40 C ATOM 0 H LEU B 48 7.002 2.432 4.068 1.00 0.72 H new ATOM 0 HA LEU B 48 9.349 0.735 4.277 1.00 0.77 H new ATOM 0 HB2 LEU B 48 6.981 0.482 3.084 1.00 0.85 H new ATOM 0 HB3 LEU B 48 7.856 1.144 1.718 1.00 0.85 H new ATOM 0 HG LEU B 48 7.989 -1.257 1.585 1.00 0.87 H new ATOM 0 HD11 LEU B 48 10.422 -1.711 1.677 1.00 1.52 H new ATOM 0 HD12 LEU B 48 10.063 -0.133 0.936 1.00 1.52 H new ATOM 0 HD13 LEU B 48 10.657 -0.216 2.612 1.00 1.52 H new ATOM 0 HD21 LEU B 48 8.975 -2.644 3.437 1.00 1.40 H new ATOM 0 HD22 LEU B 48 9.116 -1.179 4.438 1.00 1.40 H new ATOM 0 HD23 LEU B 48 7.510 -1.785 3.969 1.00 1.40 H new ATOM 1753 N TYR B 49 9.283 3.332 2.247 1.00 0.59 N ATOM 1754 CA TYR B 49 10.130 4.259 1.449 1.00 0.54 C ATOM 1755 C TYR B 49 11.289 4.793 2.285 1.00 0.59 C ATOM 1756 O TYR B 49 12.416 4.817 1.839 1.00 0.82 O ATOM 1757 CB TYR B 49 9.239 5.398 0.969 1.00 0.61 C ATOM 1758 CG TYR B 49 10.009 6.479 0.218 1.00 0.64 C ATOM 1759 CD1 TYR B 49 10.281 6.351 -1.124 1.00 1.33 C ATOM 1760 CD2 TYR B 49 10.426 7.613 0.882 1.00 1.29 C ATOM 1761 CE1 TYR B 49 10.959 7.345 -1.793 1.00 1.40 C ATOM 1762 CE2 TYR B 49 11.102 8.606 0.214 1.00 1.32 C ATOM 1763 CZ TYR B 49 11.374 8.478 -1.130 1.00 0.85 C ATOM 1764 OH TYR B 49 12.048 9.475 -1.804 1.00 0.99 O ATOM 0 H TYR B 49 8.291 3.569 2.280 1.00 0.59 H new ATOM 0 HA TYR B 49 10.566 3.735 0.599 1.00 0.54 H new ATOM 0 HB2 TYR B 49 8.462 4.995 0.320 1.00 0.61 H new ATOM 0 HB3 TYR B 49 8.737 5.846 1.827 1.00 0.61 H new ATOM 0 HD1 TYR B 49 9.961 5.467 -1.655 1.00 1.33 H new ATOM 0 HD2 TYR B 49 10.220 7.722 1.936 1.00 1.29 H new ATOM 0 HE1 TYR B 49 11.167 7.235 -2.847 1.00 1.40 H new ATOM 0 HE2 TYR B 49 11.421 9.490 0.745 1.00 1.32 H new ATOM 0 HH TYR B 49 12.264 10.201 -1.183 1.00 0.99 H new ATOM 1774 N ARG B 50 10.993 5.208 3.481 1.00 0.71 N ATOM 1775 CA ARG B 50 12.061 5.763 4.351 1.00 0.95 C ATOM 1776 C ARG B 50 13.048 4.679 4.736 1.00 1.15 C ATOM 1777 O ARG B 50 14.237 4.797 4.519 1.00 1.19 O ATOM 1778 CB ARG B 50 11.431 6.352 5.616 1.00 1.20 C ATOM 1779 CG ARG B 50 10.642 7.612 5.237 1.00 1.44 C ATOM 1780 CD ARG B 50 9.972 8.194 6.498 1.00 1.54 C ATOM 1781 NE ARG B 50 8.971 7.227 7.027 1.00 1.70 N ATOM 1782 CZ ARG B 50 7.701 7.547 6.920 1.00 1.79 C ATOM 1783 NH1 ARG B 50 7.257 7.874 5.732 1.00 2.29 N ATOM 1784 NH2 ARG B 50 6.930 7.535 7.981 1.00 2.21 N ATOM 0 H ARG B 50 10.060 5.187 3.893 1.00 0.71 H new ATOM 0 HA ARG B 50 12.592 6.542 3.804 1.00 0.95 H new ATOM 0 HB2 ARG B 50 10.772 5.621 6.084 1.00 1.20 H new ATOM 0 HB3 ARG B 50 12.205 6.596 6.344 1.00 1.20 H new ATOM 0 HG2 ARG B 50 11.308 8.351 4.791 1.00 1.44 H new ATOM 0 HG3 ARG B 50 9.887 7.371 4.489 1.00 1.44 H new ATOM 0 HD2 ARG B 50 10.725 8.404 7.257 1.00 1.54 H new ATOM 0 HD3 ARG B 50 9.487 9.140 6.260 1.00 1.54 H new ATOM 0 HE ARG B 50 9.260 6.348 7.457 1.00 1.70 H new ATOM 0 HH11 ARG B 50 7.891 7.874 4.933 1.00 2.29 H new ATOM 0 HH12 ARG B 50 6.277 8.129 5.606 1.00 2.29 H new ATOM 0 HH21 ARG B 50 7.316 7.277 8.889 1.00 2.21 H new ATOM 0 HH22 ARG B 50 5.944 7.783 7.898 1.00 2.21 H new ATOM 1798 N SER B 51 12.514 3.646 5.309 1.00 1.40 N ATOM 1799 CA SER B 51 13.364 2.519 5.744 1.00 1.77 C ATOM 1800 C SER B 51 14.174 1.980 4.570 1.00 1.70 C ATOM 1801 O SER B 51 15.225 1.399 4.755 1.00 1.91 O ATOM 1802 CB SER B 51 12.442 1.471 6.307 1.00 2.04 C ATOM 1803 OG SER B 51 11.706 2.217 7.268 1.00 2.11 O ATOM 0 H SER B 51 11.517 3.535 5.495 1.00 1.40 H new ATOM 0 HA SER B 51 14.083 2.833 6.500 1.00 1.77 H new ATOM 0 HB2 SER B 51 11.796 1.041 5.542 1.00 2.04 H new ATOM 0 HB3 SER B 51 12.990 0.646 6.762 1.00 2.04 H new ATOM 0 HG SER B 51 10.851 2.498 6.879 1.00 2.11 H new ATOM 1809 N CYS B 52 13.674 2.179 3.387 1.00 1.50 N ATOM 1810 CA CYS B 52 14.437 1.671 2.226 1.00 1.60 C ATOM 1811 C CYS B 52 15.697 2.498 2.193 1.00 1.30 C ATOM 1812 O CYS B 52 16.784 1.975 2.071 1.00 1.42 O ATOM 1813 CB CYS B 52 13.646 1.878 0.936 1.00 1.71 C ATOM 1814 SG CYS B 52 14.410 1.319 -0.606 1.00 2.41 S ATOM 0 H CYS B 52 12.797 2.657 3.179 1.00 1.50 H new ATOM 0 HA CYS B 52 14.643 0.604 2.311 1.00 1.60 H new ATOM 0 HB2 CYS B 52 12.689 1.368 1.042 1.00 1.71 H new ATOM 0 HB3 CYS B 52 13.431 2.942 0.839 1.00 1.71 H new ATOM 0 HG CYS B 52 15.086 0.231 -0.386 1.00 2.41 H new ATOM 1820 N LEU B 53 15.529 3.781 2.310 1.00 1.00 N ATOM 1821 CA LEU B 53 16.733 4.647 2.277 1.00 0.95 C ATOM 1822 C LEU B 53 17.665 4.201 3.382 1.00 1.09 C ATOM 1823 O LEU B 53 18.866 4.195 3.224 1.00 1.19 O ATOM 1824 CB LEU B 53 16.396 6.109 2.548 1.00 0.98 C ATOM 1825 CG LEU B 53 15.231 6.585 1.671 1.00 1.21 C ATOM 1826 CD1 LEU B 53 15.007 8.083 1.910 1.00 1.56 C ATOM 1827 CD2 LEU B 53 15.540 6.336 0.193 1.00 1.58 C ATOM 0 H LEU B 53 14.635 4.258 2.424 1.00 1.00 H new ATOM 0 HA LEU B 53 17.177 4.561 1.285 1.00 0.95 H new ATOM 0 HB2 LEU B 53 16.138 6.236 3.599 1.00 0.98 H new ATOM 0 HB3 LEU B 53 17.273 6.728 2.358 1.00 0.98 H new ATOM 0 HG LEU B 53 14.331 6.029 1.934 1.00 1.21 H new ATOM 0 HD11 LEU B 53 14.180 8.431 1.290 1.00 1.56 H new ATOM 0 HD12 LEU B 53 14.770 8.252 2.960 1.00 1.56 H new ATOM 0 HD13 LEU B 53 15.912 8.632 1.649 1.00 1.56 H new ATOM 0 HD21 LEU B 53 14.704 6.679 -0.416 1.00 1.58 H new ATOM 0 HD22 LEU B 53 16.441 6.882 -0.087 1.00 1.58 H new ATOM 0 HD23 LEU B 53 15.695 5.270 0.028 1.00 1.58 H new ATOM 1839 N ALA B 54 17.069 3.837 4.479 1.00 1.32 N ATOM 1840 CA ALA B 54 17.894 3.418 5.639 1.00 1.66 C ATOM 1841 C ALA B 54 18.721 2.165 5.422 1.00 1.77 C ATOM 1842 O ALA B 54 19.929 2.219 5.511 1.00 2.00 O ATOM 1843 CB ALA B 54 17.003 3.177 6.857 1.00 1.85 C ATOM 0 H ALA B 54 16.059 3.811 4.622 1.00 1.32 H new ATOM 0 HA ALA B 54 18.592 4.242 5.789 1.00 1.66 H new ATOM 0 HB1 ALA B 54 17.618 2.870 7.703 1.00 1.85 H new ATOM 0 HB2 ALA B 54 16.474 4.096 7.108 1.00 1.85 H new ATOM 0 HB3 ALA B 54 16.281 2.393 6.630 1.00 1.85 H new ATOM 1849 N ARG B 55 18.092 1.059 5.142 1.00 1.75 N ATOM 1850 CA ARG B 55 18.926 -0.162 4.988 1.00 1.93 C ATOM 1851 C ARG B 55 19.470 -0.305 3.586 1.00 1.58 C ATOM 1852 O ARG B 55 20.564 -0.800 3.406 1.00 1.71 O ATOM 1853 CB ARG B 55 18.102 -1.414 5.320 1.00 2.36 C ATOM 1854 CG ARG B 55 19.083 -2.578 5.512 1.00 2.73 C ATOM 1855 CD ARG B 55 18.329 -3.815 6.012 1.00 3.04 C ATOM 1856 NE ARG B 55 19.327 -4.841 6.415 1.00 2.92 N ATOM 1857 CZ ARG B 55 19.246 -6.046 5.901 1.00 3.13 C ATOM 1858 NH1 ARG B 55 18.496 -6.934 6.512 1.00 3.65 N ATOM 1859 NH2 ARG B 55 19.918 -6.302 4.800 1.00 3.41 N ATOM 0 H ARG B 55 17.086 0.947 5.018 1.00 1.75 H new ATOM 0 HA ARG B 55 19.763 -0.061 5.678 1.00 1.93 H new ATOM 0 HB2 ARG B 55 17.513 -1.256 6.224 1.00 2.36 H new ATOM 0 HB3 ARG B 55 17.399 -1.634 4.516 1.00 2.36 H new ATOM 0 HG2 ARG B 55 19.584 -2.802 4.570 1.00 2.73 H new ATOM 0 HG3 ARG B 55 19.857 -2.299 6.227 1.00 2.73 H new ATOM 0 HD2 ARG B 55 17.691 -3.555 6.856 1.00 3.04 H new ATOM 0 HD3 ARG B 55 17.679 -4.205 5.229 1.00 3.04 H new ATOM 0 HE ARG B 55 20.064 -4.612 7.082 1.00 2.92 H new ATOM 0 HH11 ARG B 55 17.995 -6.679 7.363 1.00 3.65 H new ATOM 0 HH12 ARG B 55 18.414 -7.878 6.135 1.00 3.65 H new ATOM 0 HH21 ARG B 55 20.484 -5.573 4.367 1.00 3.41 H new ATOM 0 HH22 ARG B 55 19.873 -7.230 4.379 1.00 3.41 H new ATOM 1873 N PHE B 56 18.721 0.113 2.612 1.00 1.42 N ATOM 1874 CA PHE B 56 19.265 -0.049 1.241 1.00 1.63 C ATOM 1875 C PHE B 56 20.326 1.004 1.044 1.00 2.45 C ATOM 1876 O PHE B 56 21.195 0.839 0.212 1.00 3.11 O ATOM 1877 CB PHE B 56 18.220 0.181 0.142 1.00 1.48 C ATOM 1878 CG PHE B 56 17.083 -0.852 0.115 1.00 1.19 C ATOM 1879 CD1 PHE B 56 16.727 -1.643 1.198 1.00 1.30 C ATOM 1880 CD2 PHE B 56 16.384 -0.995 -1.068 1.00 1.63 C ATOM 1881 CE1 PHE B 56 15.694 -2.550 1.088 1.00 1.24 C ATOM 1882 CE2 PHE B 56 15.352 -1.901 -1.176 1.00 1.51 C ATOM 1883 CZ PHE B 56 15.007 -2.681 -0.097 1.00 0.99 C ATOM 0 H PHE B 56 17.799 0.540 2.694 1.00 1.42 H new ATOM 0 HA PHE B 56 19.633 -1.072 1.159 1.00 1.63 H new ATOM 0 HB2 PHE B 56 17.789 1.174 0.271 1.00 1.48 H new ATOM 0 HB3 PHE B 56 18.722 0.175 -0.826 1.00 1.48 H new ATOM 0 HD1 PHE B 56 17.261 -1.548 2.132 1.00 1.30 H new ATOM 0 HD2 PHE B 56 16.650 -0.388 -1.920 1.00 1.63 H new ATOM 0 HE1 PHE B 56 15.423 -3.161 1.936 1.00 1.24 H new ATOM 0 HE2 PHE B 56 14.814 -1.999 -2.107 1.00 1.51 H new ATOM 0 HZ PHE B 56 14.200 -3.394 -0.180 1.00 0.99 H new ATOM 1893 N GLY B 57 20.239 2.056 1.808 1.00 2.70 N ATOM 1894 CA GLY B 57 21.253 3.114 1.613 1.00 3.77 C ATOM 1895 C GLY B 57 20.869 3.599 0.234 1.00 4.43 C ATOM 1896 O GLY B 57 21.652 3.533 -0.689 1.00 4.85 O ATOM 0 H GLY B 57 19.538 2.222 2.530 1.00 2.70 H new ATOM 0 HA2 GLY B 57 21.184 3.900 2.365 1.00 3.77 H new ATOM 0 HA3 GLY B 57 22.271 2.727 1.649 1.00 3.77 H new ATOM 1900 N ASP B 58 19.649 4.067 0.155 1.00 4.82 N ATOM 1901 CA ASP B 58 19.114 4.553 -1.149 1.00 5.78 C ATOM 1902 C ASP B 58 19.291 3.356 -2.063 1.00 6.31 C ATOM 1903 O ASP B 58 18.574 2.386 -1.926 1.00 6.58 O ATOM 1904 CB ASP B 58 19.934 5.763 -1.641 1.00 6.24 C ATOM 1905 CG ASP B 58 19.475 6.188 -3.032 1.00 6.76 C ATOM 1906 OD1 ASP B 58 18.375 5.830 -3.417 1.00 6.88 O ATOM 1907 OD2 ASP B 58 20.274 6.869 -3.647 1.00 7.19 O ATOM 0 H ASP B 58 19.001 4.133 0.940 1.00 4.82 H new ATOM 0 HA ASP B 58 18.079 4.893 -1.101 1.00 5.78 H new ATOM 0 HB2 ASP B 58 19.821 6.594 -0.945 1.00 6.24 H new ATOM 0 HB3 ASP B 58 20.993 5.507 -1.663 1.00 6.24 H new ATOM 1912 N ASP B 59 20.222 3.431 -2.964 1.00 6.74 N ATOM 1913 CA ASP B 59 20.474 2.282 -3.875 1.00 7.58 C ATOM 1914 C ASP B 59 21.965 2.322 -4.119 1.00 8.01 C ATOM 1915 O ASP B 59 22.473 1.694 -5.029 1.00 8.18 O ATOM 1916 CB ASP B 59 19.784 2.457 -5.207 1.00 8.09 C ATOM 1917 CG ASP B 59 20.518 3.542 -5.973 1.00 8.40 C ATOM 1918 OD1 ASP B 59 20.768 4.584 -5.402 1.00 8.56 O ATOM 1919 OD2 ASP B 59 20.803 3.266 -7.118 1.00 8.62 O ATOM 0 H ASP B 59 20.824 4.241 -3.112 1.00 6.74 H new ATOM 0 HA ASP B 59 20.108 1.353 -3.437 1.00 7.58 H new ATOM 0 HB2 ASP B 59 19.793 1.522 -5.767 1.00 8.09 H new ATOM 0 HB3 ASP B 59 18.739 2.732 -5.062 1.00 8.09 H new ATOM 1924 N GLY B 60 22.620 3.070 -3.286 1.00 8.32 N ATOM 1925 CA GLY B 60 24.084 3.232 -3.405 1.00 8.93 C ATOM 1926 C GLY B 60 24.258 4.718 -3.644 1.00 9.28 C ATOM 1927 O GLY B 60 25.068 5.128 -4.453 1.00 9.74 O ATOM 0 H GLY B 60 22.194 3.584 -2.515 1.00 8.32 H new ATOM 0 HA2 GLY B 60 24.598 2.908 -2.500 1.00 8.93 H new ATOM 0 HA3 GLY B 60 24.487 2.643 -4.229 1.00 8.93 H new ATOM 1931 N GLU B 61 23.468 5.461 -2.916 1.00 9.25 N ATOM 1932 CA GLU B 61 23.488 6.943 -3.007 1.00 9.85 C ATOM 1933 C GLU B 61 23.551 7.396 -4.462 1.00 10.44 C ATOM 1934 O GLU B 61 24.219 8.361 -4.783 1.00 10.96 O ATOM 1935 CB GLU B 61 24.710 7.489 -2.247 1.00 9.95 C ATOM 1936 CG GLU B 61 24.663 7.083 -0.756 1.00 9.52 C ATOM 1937 CD GLU B 61 24.901 5.582 -0.609 1.00 9.36 C ATOM 1938 OE1 GLU B 61 25.938 5.147 -1.080 1.00 9.60 O ATOM 1939 OE2 GLU B 61 24.028 4.957 -0.034 1.00 9.14 O ATOM 0 H GLU B 61 22.794 5.089 -2.246 1.00 9.25 H new ATOM 0 HA GLU B 61 22.571 7.329 -2.562 1.00 9.85 H new ATOM 0 HB2 GLU B 61 25.625 7.110 -2.702 1.00 9.95 H new ATOM 0 HB3 GLU B 61 24.739 8.575 -2.331 1.00 9.95 H new ATOM 0 HG2 GLU B 61 25.419 7.635 -0.198 1.00 9.52 H new ATOM 0 HG3 GLU B 61 23.695 7.348 -0.330 1.00 9.52 H new ATOM 1946 N ASN B 62 22.862 6.699 -5.321 1.00 10.52 N ATOM 1947 CA ASN B 62 22.914 7.115 -6.747 1.00 11.24 C ATOM 1948 C ASN B 62 21.847 8.154 -6.935 1.00 11.48 C ATOM 1949 O ASN B 62 21.111 8.454 -6.017 1.00 11.62 O ATOM 1950 CB ASN B 62 22.607 5.964 -7.696 1.00 11.72 C ATOM 1951 CG ASN B 62 23.679 4.888 -7.534 1.00 12.30 C ATOM 1952 OD1 ASN B 62 23.539 3.966 -6.621 1.00 12.60 O flip ATOM 1953 ND2 ASN B 62 24.664 4.883 -8.247 1.00 12.60 N flip ATOM 0 H ASN B 62 22.284 5.886 -5.108 1.00 10.52 H new ATOM 0 HA ASN B 62 23.917 7.479 -6.970 1.00 11.24 H new ATOM 0 HB2 ASN B 62 21.622 5.550 -7.480 1.00 11.72 H new ATOM 0 HB3 ASN B 62 22.584 6.321 -8.726 1.00 11.72 H new ATOM 0 HD21 ASN B 62 24.779 5.601 -8.962 1.00 12.60 H new ATOM 0 HD22 ASN B 62 25.375 4.161 -8.130 1.00 12.60 H new ATOM 1960 N LEU B 63 21.785 8.674 -8.125 1.00 11.67 N ATOM 1961 CA LEU B 63 20.770 9.706 -8.428 1.00 12.09 C ATOM 1962 C LEU B 63 19.792 8.950 -9.291 1.00 12.33 C ATOM 1963 O LEU B 63 20.315 8.089 -9.978 1.00 12.50 O ATOM 1964 CB LEU B 63 21.366 10.863 -9.238 1.00 12.49 C ATOM 1965 CG LEU B 63 22.527 11.601 -8.502 1.00 12.64 C ATOM 1966 CD1 LEU B 63 22.133 11.933 -7.049 1.00 12.78 C ATOM 1967 CD2 LEU B 63 23.849 10.802 -8.529 1.00 12.96 C ATOM 1968 OXT LEU B 63 18.619 9.255 -9.216 1.00 12.46 O ATOM 0 H LEU B 63 22.398 8.426 -8.902 1.00 11.67 H new ATOM 0 HA LEU B 63 20.343 10.152 -7.530 1.00 12.09 H new ATOM 0 HB2 LEU B 63 21.735 10.479 -10.189 1.00 12.49 H new ATOM 0 HB3 LEU B 63 20.578 11.580 -9.468 1.00 12.49 H new ATOM 0 HG LEU B 63 22.700 12.530 -9.045 1.00 12.64 H new ATOM 0 HD11 LEU B 63 22.958 12.447 -6.557 1.00 12.78 H new ATOM 0 HD12 LEU B 63 21.253 12.576 -7.049 1.00 12.78 H new ATOM 0 HD13 LEU B 63 21.909 11.011 -6.513 1.00 12.78 H new ATOM 0 HD21 LEU B 63 24.623 11.361 -8.003 1.00 12.96 H new ATOM 0 HD22 LEU B 63 23.702 9.839 -8.041 1.00 12.96 H new ATOM 0 HD23 LEU B 63 24.156 10.642 -9.562 1.00 12.96 H new TER 1980 LEU B 63