USER MOD reduce.3.24.130724 H: found=0, std=0, add=633, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 633 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 99 ASN : amide:sc= -0.648 K(o=-0.8,f=-1.6!) USER MOD Set 1.2: A 100 GLN : amide:sc= -0.156 X(o=-0.8,f=-0.65) USER MOD Set 2.1: A 48 ASN : amide:sc= -3.39 K(o=-3.8,f=-5.6!) USER MOD Set 2.2: A 97 ASN : amide:sc= -0.43 K(o=-3.8,f=-2.9) USER MOD Set 3.1: A 45 TYR OH : rot -15:sc= -0.0292 USER MOD Set 3.2: A 47 GLN : amide:sc= -2.32 X(o=-2.4,f=-2.2!) USER MOD Set 4.1: A 35 ASN : amide:sc= -1.08! C(o=-1.2!,f=-1.3!) USER MOD Set 4.2: A 37 GLN : amide:sc= -0.166 X(o=-1.2,f=-1.1) USER MOD Set 5.1: A 9 GLN : amide:sc= -0.343 K(o=-0.16,f=0.96) USER MOD Set 5.2: A 28 SER OG : rot -123:sc= 0.187! USER MOD Set 6.1: A 15 ASN : amide:sc= -1.75! K(o=-19!,f=-12) USER MOD Set 6.2: A 16 ASN : amide:sc= -9.61! C(o=-19!,f=-12!) USER MOD Set 6.3: A 20 THR OG1 : rot -170:sc= -1.89! USER MOD Set 6.4: A 34 GLN : amide:sc= -5.54! C(o=-19!,f=-12!) USER MOD Set 7.1: A 18 SER OG : rot 172:sc= 0.918 USER MOD Set 7.2: A 53 SER OG : rot 120:sc= 1 USER MOD Set 7.3: A 57 ASN : amide:sc= -5.39! C(o=-3.5!,f=-6.1!) USER MOD Single : A 1 ALA N :NH3+ 137:sc= 1.07 (180deg=-0.634) USER MOD Single : A 2 MET CE :methyl -155:sc= -0.0652 (180deg=-1.64) USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 ASN : amide:sc= -0.0212 K(o=-0.021,f=-0.86) USER MOD Single : A 19 SER OG : rot -43:sc= 0.224 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot -20:sc= 0.675 USER MOD Single : A 30 GLN : amide:sc= -0.0626 X(o=-0.063,f=0) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -1.9! C(o=-1.9!,f=-4.3!) USER MOD Single : A 51 ASN : amide:sc= -0.514 X(o=-0.51,f=-0.067) USER MOD Single : A 55 THR OG1 : rot 78:sc= 1.22 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= -3! C(o=-3!,f=-1.2!) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= -2.39! K(o=-2.4!,f=-1.4) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 TYR OH : rot -68:sc= 0.591 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 ASN : amide:sc=-0.00945 X(o=-0.0094,f=-0.13) USER MOD Single : A 83 ASN : amide:sc= -4.4 K(o=-4.4,f=-5.9!) USER MOD Single : A 88 LYS NZ :NH3+ 145:sc= -0.398 (180deg=-1.59!) USER MOD Single : A 89 ASN : amide:sc= -5.57 K(o=-5.6,f=-1.4) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 GLN : amide:sc= -0.77 X(o=-0.77,f=-0.38) USER MOD Single : A 94 GLN : amide:sc= -0.231 X(o=-0.23,f=0) USER MOD Single : A 96 GLN : amide:sc= -0.692 X(o=-0.69,f=-0.26) USER MOD Single : A 98 ASN : amide:sc= -0.0281 X(o=-0.028,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 4.877 4.489 -7.543 1.00 2.89 N ATOM 2 CA ALA A 1 4.963 5.366 -6.347 1.00 2.76 C ATOM 3 C ALA A 1 4.030 6.566 -6.481 1.00 2.65 C ATOM 4 O ALA A 1 4.399 7.692 -6.149 1.00 3.35 O ATOM 5 CB ALA A 1 6.396 5.833 -6.138 1.00 3.46 C ATOM 0 H1 ALA A 1 5.833 4.191 -7.825 1.00 2.89 H new ATOM 0 H2 ALA A 1 4.305 3.650 -7.318 1.00 2.89 H new ATOM 0 H3 ALA A 1 4.432 5.011 -8.325 1.00 2.89 H new ATOM 0 HA ALA A 1 4.650 4.787 -5.478 1.00 2.76 H new ATOM 0 HB1 ALA A 1 6.445 6.475 -5.258 1.00 3.46 H new ATOM 0 HB2 ALA A 1 7.043 4.968 -5.992 1.00 3.46 H new ATOM 0 HB3 ALA A 1 6.728 6.391 -7.013 1.00 3.46 H new ATOM 13 N MET A 2 2.817 6.316 -6.966 1.00 2.06 N ATOM 14 CA MET A 2 1.831 7.380 -7.137 1.00 2.16 C ATOM 15 C MET A 2 0.460 6.813 -7.496 1.00 2.20 C ATOM 16 O MET A 2 0.122 6.678 -8.672 1.00 2.47 O ATOM 17 CB MET A 2 2.290 8.356 -8.222 1.00 2.54 C ATOM 18 CG MET A 2 1.882 9.796 -7.956 1.00 2.78 C ATOM 19 SD MET A 2 3.171 10.977 -8.397 1.00 2.87 S ATOM 20 CE MET A 2 4.412 10.600 -7.161 1.00 2.82 C ATOM 0 H MET A 2 2.494 5.390 -7.247 1.00 2.06 H new ATOM 0 HA MET A 2 1.743 7.910 -6.188 1.00 2.16 H new ATOM 0 HB2 MET A 2 3.375 8.305 -8.310 1.00 2.54 H new ATOM 0 HB3 MET A 2 1.877 8.041 -9.181 1.00 2.54 H new ATOM 0 HG2 MET A 2 0.978 10.023 -8.521 1.00 2.78 H new ATOM 0 HG3 MET A 2 1.636 9.911 -6.900 1.00 2.78 H new ATOM 0 HE1 MET A 2 5.041 11.475 -6.998 1.00 2.82 H new ATOM 0 HE2 MET A 2 3.923 10.326 -6.226 1.00 2.82 H new ATOM 0 HE3 MET A 2 5.028 9.770 -7.506 1.00 2.82 H new ATOM 30 N ALA A 3 -0.328 6.491 -6.476 1.00 2.01 N ATOM 31 CA ALA A 3 -1.667 5.948 -6.680 1.00 2.21 C ATOM 32 C ALA A 3 -2.539 6.155 -5.446 1.00 2.05 C ATOM 33 O ALA A 3 -3.426 5.350 -5.159 1.00 2.27 O ATOM 34 CB ALA A 3 -1.589 4.468 -7.024 1.00 2.47 C ATOM 0 H ALA A 3 -0.062 6.597 -5.497 1.00 2.01 H new ATOM 0 HA ALA A 3 -2.124 6.483 -7.512 1.00 2.21 H new ATOM 0 HB1 ALA A 3 -2.595 4.076 -7.174 1.00 2.47 H new ATOM 0 HB2 ALA A 3 -1.009 4.337 -7.937 1.00 2.47 H new ATOM 0 HB3 ALA A 3 -1.107 3.930 -6.208 1.00 2.47 H new ATOM 40 N CYS A 4 -2.283 7.235 -4.717 1.00 1.78 N ATOM 41 CA CYS A 4 -3.048 7.541 -3.512 1.00 1.70 C ATOM 42 C CYS A 4 -4.413 8.119 -3.865 1.00 1.92 C ATOM 43 O CYS A 4 -4.551 8.865 -4.833 1.00 2.19 O ATOM 44 CB CYS A 4 -2.282 8.523 -2.619 1.00 1.59 C ATOM 45 SG CYS A 4 -1.569 9.947 -3.504 1.00 1.95 S ATOM 0 H CYS A 4 -1.553 7.913 -4.938 1.00 1.78 H new ATOM 0 HA CYS A 4 -3.195 6.609 -2.966 1.00 1.70 H new ATOM 0 HB2 CYS A 4 -2.955 8.892 -1.845 1.00 1.59 H new ATOM 0 HB3 CYS A 4 -1.479 7.986 -2.114 1.00 1.59 H new ATOM 50 N TRP A 5 -5.419 7.772 -3.071 1.00 1.89 N ATOM 51 CA TRP A 5 -6.773 8.261 -3.298 1.00 2.17 C ATOM 52 C TRP A 5 -6.911 9.720 -2.861 1.00 2.15 C ATOM 53 O TRP A 5 -7.890 10.386 -3.196 1.00 2.42 O ATOM 54 CB TRP A 5 -7.784 7.391 -2.547 1.00 2.29 C ATOM 55 CG TRP A 5 -7.432 7.182 -1.106 1.00 2.07 C ATOM 56 CD1 TRP A 5 -6.911 6.056 -0.546 1.00 1.96 C ATOM 57 CD2 TRP A 5 -7.577 8.126 -0.046 1.00 1.98 C ATOM 58 NE1 TRP A 5 -6.720 6.242 0.803 1.00 1.82 N ATOM 59 CE2 TRP A 5 -7.123 7.509 1.134 1.00 1.82 C ATOM 60 CE3 TRP A 5 -8.046 9.434 0.016 1.00 2.08 C ATOM 61 CZ2 TRP A 5 -7.127 8.163 2.364 1.00 1.76 C ATOM 62 CZ3 TRP A 5 -8.052 10.085 1.234 1.00 2.01 C ATOM 63 CH2 TRP A 5 -7.594 9.449 2.395 1.00 1.85 C ATOM 0 H TRP A 5 -5.323 7.154 -2.265 1.00 1.89 H new ATOM 0 HA TRP A 5 -6.978 8.203 -4.367 1.00 2.17 H new ATOM 0 HB2 TRP A 5 -8.769 7.854 -2.610 1.00 2.29 H new ATOM 0 HB3 TRP A 5 -7.856 6.422 -3.040 1.00 2.29 H new ATOM 0 HD1 TRP A 5 -6.681 5.148 -1.083 1.00 1.96 H new ATOM 0 HE1 TRP A 5 -6.341 5.551 1.450 1.00 1.82 H new ATOM 0 HE3 TRP A 5 -8.400 9.933 -0.874 1.00 2.08 H new ATOM 0 HZ2 TRP A 5 -6.775 7.673 3.260 1.00 1.76 H new ATOM 0 HZ3 TRP A 5 -8.415 11.100 1.292 1.00 2.01 H new ATOM 0 HH2 TRP A 5 -7.610 9.984 3.333 1.00 1.85 H new ATOM 74 N ALA A 6 -5.924 10.211 -2.113 1.00 1.89 N ATOM 75 CA ALA A 6 -5.939 11.589 -1.636 1.00 1.94 C ATOM 76 C ALA A 6 -5.566 12.564 -2.749 1.00 2.07 C ATOM 77 O ALA A 6 -5.981 13.724 -2.737 1.00 2.19 O ATOM 78 CB ALA A 6 -4.991 11.748 -0.457 1.00 1.77 C ATOM 0 H ALA A 6 -5.106 9.674 -1.826 1.00 1.89 H new ATOM 0 HA ALA A 6 -6.953 11.822 -1.311 1.00 1.94 H new ATOM 0 HB1 ALA A 6 -5.012 12.781 -0.110 1.00 1.77 H new ATOM 0 HB2 ALA A 6 -5.303 11.088 0.352 1.00 1.77 H new ATOM 0 HB3 ALA A 6 -3.978 11.489 -0.767 1.00 1.77 H new ATOM 84 N GLN A 7 -4.779 12.090 -3.711 1.00 2.08 N ATOM 85 CA GLN A 7 -4.353 12.926 -4.828 1.00 2.26 C ATOM 86 C GLN A 7 -5.511 13.197 -5.783 1.00 2.56 C ATOM 87 O GLN A 7 -5.507 14.191 -6.509 1.00 2.71 O ATOM 88 CB GLN A 7 -3.194 12.268 -5.582 1.00 2.24 C ATOM 89 CG GLN A 7 -3.569 10.959 -6.258 1.00 2.33 C ATOM 90 CD GLN A 7 -3.394 11.007 -7.763 1.00 2.54 C ATOM 91 OE1 GLN A 7 -4.327 11.328 -8.499 1.00 2.79 O ATOM 92 NE2 GLN A 7 -2.192 10.686 -8.230 1.00 2.50 N ATOM 0 H GLN A 7 -4.424 11.134 -3.739 1.00 2.08 H new ATOM 0 HA GLN A 7 -4.013 13.878 -4.421 1.00 2.26 H new ATOM 0 HB2 GLN A 7 -2.822 12.962 -6.336 1.00 2.24 H new ATOM 0 HB3 GLN A 7 -2.376 12.085 -4.885 1.00 2.24 H new ATOM 0 HG2 GLN A 7 -2.956 10.155 -5.850 1.00 2.33 H new ATOM 0 HG3 GLN A 7 -4.606 10.718 -6.024 1.00 2.33 H new ATOM 0 HE21 GLN A 7 -1.447 10.426 -7.584 1.00 2.50 H new ATOM 0 HE22 GLN A 7 -2.015 10.700 -9.234 1.00 2.50 H new ATOM 101 N SER A 8 -6.505 12.313 -5.774 1.00 2.70 N ATOM 102 CA SER A 8 -7.670 12.467 -6.637 1.00 3.03 C ATOM 103 C SER A 8 -8.322 13.833 -6.432 1.00 3.09 C ATOM 104 O SER A 8 -8.991 14.353 -7.325 1.00 3.35 O ATOM 105 CB SER A 8 -8.687 11.358 -6.361 1.00 3.21 C ATOM 106 OG SER A 8 -9.393 11.008 -7.538 1.00 3.78 O ATOM 0 H SER A 8 -6.526 11.484 -5.179 1.00 2.70 H new ATOM 0 HA SER A 8 -7.336 12.394 -7.672 1.00 3.03 H new ATOM 0 HB2 SER A 8 -8.175 10.481 -5.966 1.00 3.21 H new ATOM 0 HB3 SER A 8 -9.390 11.687 -5.596 1.00 3.21 H new ATOM 0 HG SER A 8 -10.035 10.296 -7.335 1.00 3.78 H new ATOM 112 N GLN A 9 -8.118 14.409 -5.250 1.00 2.90 N ATOM 113 CA GLN A 9 -8.682 15.714 -4.928 1.00 3.01 C ATOM 114 C GLN A 9 -7.644 16.816 -5.114 1.00 2.93 C ATOM 115 O GLN A 9 -7.985 17.956 -5.428 1.00 3.14 O ATOM 116 CB GLN A 9 -9.204 15.727 -3.489 1.00 2.97 C ATOM 117 CG GLN A 9 -9.991 14.481 -3.116 1.00 3.24 C ATOM 118 CD GLN A 9 -10.528 14.534 -1.699 1.00 3.44 C ATOM 119 OE1 GLN A 9 -11.160 15.512 -1.298 1.00 4.27 O ATOM 120 NE2 GLN A 9 -10.278 13.480 -0.932 1.00 3.06 N ATOM 0 H GLN A 9 -7.566 13.992 -4.500 1.00 2.90 H new ATOM 0 HA GLN A 9 -9.511 15.902 -5.610 1.00 3.01 H new ATOM 0 HB2 GLN A 9 -8.361 15.832 -2.806 1.00 2.97 H new ATOM 0 HB3 GLN A 9 -9.838 16.603 -3.349 1.00 2.97 H new ATOM 0 HG2 GLN A 9 -10.822 14.359 -3.811 1.00 3.24 H new ATOM 0 HG3 GLN A 9 -9.352 13.605 -3.226 1.00 3.24 H new ATOM 0 HE21 GLN A 9 -9.750 12.691 -1.306 1.00 3.06 H new ATOM 0 HE22 GLN A 9 -10.614 13.459 0.031 1.00 3.06 H new ATOM 129 N GLY A 10 -6.374 16.470 -4.918 1.00 2.70 N ATOM 130 CA GLY A 10 -5.309 17.445 -5.070 1.00 2.70 C ATOM 131 C GLY A 10 -4.149 17.201 -4.123 1.00 2.48 C ATOM 132 O GLY A 10 -3.032 17.657 -4.371 1.00 2.53 O ATOM 0 H GLY A 10 -6.065 15.534 -4.657 1.00 2.70 H new ATOM 0 HA2 GLY A 10 -4.945 17.421 -6.097 1.00 2.70 H new ATOM 0 HA3 GLY A 10 -5.710 18.444 -4.897 1.00 2.70 H new ATOM 136 N TYR A 11 -4.409 16.481 -3.035 1.00 2.29 N ATOM 137 CA TYR A 11 -3.374 16.181 -2.052 1.00 2.13 C ATOM 138 C TYR A 11 -2.297 15.284 -2.654 1.00 1.92 C ATOM 139 O TYR A 11 -2.284 15.038 -3.860 1.00 2.04 O ATOM 140 CB TYR A 11 -3.994 15.508 -0.824 1.00 2.13 C ATOM 141 CG TYR A 11 -4.539 16.484 0.195 1.00 2.18 C ATOM 142 CD1 TYR A 11 -3.685 17.268 0.963 1.00 2.07 C ATOM 143 CD2 TYR A 11 -5.907 16.620 0.390 1.00 2.95 C ATOM 144 CE1 TYR A 11 -4.182 18.159 1.895 1.00 2.54 C ATOM 145 CE2 TYR A 11 -6.411 17.509 1.320 1.00 3.29 C ATOM 146 CZ TYR A 11 -5.545 18.275 2.070 1.00 3.00 C ATOM 147 OH TYR A 11 -6.042 19.161 2.998 1.00 3.60 O ATOM 0 H TYR A 11 -5.327 16.095 -2.813 1.00 2.29 H new ATOM 0 HA TYR A 11 -2.908 17.118 -1.748 1.00 2.13 H new ATOM 0 HB2 TYR A 11 -4.799 14.849 -1.150 1.00 2.13 H new ATOM 0 HB3 TYR A 11 -3.242 14.880 -0.346 1.00 2.13 H new ATOM 0 HD1 TYR A 11 -2.617 17.179 0.829 1.00 2.07 H new ATOM 0 HD2 TYR A 11 -6.589 16.021 -0.195 1.00 2.95 H new ATOM 0 HE1 TYR A 11 -3.506 18.762 2.484 1.00 2.54 H new ATOM 0 HE2 TYR A 11 -7.478 17.603 1.458 1.00 3.29 H new ATOM 0 HH TYR A 11 -7.021 19.122 2.996 1.00 3.60 H new ATOM 157 N ASN A 12 -1.394 14.797 -1.809 1.00 1.84 N ATOM 158 CA ASN A 12 -0.316 13.925 -2.262 1.00 1.68 C ATOM 159 C ASN A 12 -0.269 12.651 -1.425 1.00 1.29 C ATOM 160 O ASN A 12 -0.884 12.574 -0.362 1.00 1.05 O ATOM 161 CB ASN A 12 1.027 14.652 -2.182 1.00 1.95 C ATOM 162 CG ASN A 12 1.057 15.908 -3.031 1.00 2.06 C ATOM 163 OD1 ASN A 12 0.333 16.020 -4.020 1.00 2.38 O ATOM 164 ND2 ASN A 12 1.898 16.862 -2.647 1.00 2.28 N ATOM 0 H ASN A 12 -1.387 14.991 -0.808 1.00 1.84 H new ATOM 0 HA ASN A 12 -0.510 13.654 -3.300 1.00 1.68 H new ATOM 0 HB2 ASN A 12 1.234 14.913 -1.144 1.00 1.95 H new ATOM 0 HB3 ASN A 12 1.821 13.979 -2.506 1.00 1.95 H new ATOM 0 HD21 ASN A 12 1.962 17.730 -3.179 1.00 2.28 H new ATOM 0 HD22 ASN A 12 2.480 16.727 -1.820 1.00 2.28 H new ATOM 171 N CYS A 13 0.462 11.653 -1.910 1.00 1.39 N ATOM 172 CA CYS A 13 0.585 10.385 -1.201 1.00 1.13 C ATOM 173 C CYS A 13 1.545 10.518 -0.023 1.00 0.94 C ATOM 174 O CYS A 13 2.636 11.072 -0.159 1.00 1.17 O ATOM 175 CB CYS A 13 1.067 9.289 -2.152 1.00 1.40 C ATOM 176 SG CYS A 13 0.357 9.394 -3.829 1.00 1.97 S ATOM 0 H CYS A 13 0.977 11.698 -2.789 1.00 1.39 H new ATOM 0 HA CYS A 13 -0.398 10.111 -0.817 1.00 1.13 H new ATOM 0 HB2 CYS A 13 2.153 9.338 -2.225 1.00 1.40 H new ATOM 0 HB3 CYS A 13 0.820 8.317 -1.725 1.00 1.40 H new ATOM 181 N CYS A 14 1.129 10.014 1.135 1.00 0.66 N ATOM 182 CA CYS A 14 1.951 10.087 2.337 1.00 0.66 C ATOM 183 C CYS A 14 2.892 8.892 2.438 1.00 0.76 C ATOM 184 O CYS A 14 2.526 7.850 2.979 1.00 0.66 O ATOM 185 CB CYS A 14 1.065 10.155 3.585 1.00 0.57 C ATOM 186 SG CYS A 14 1.373 11.602 4.652 1.00 1.09 S ATOM 0 H CYS A 14 0.229 9.552 1.266 1.00 0.66 H new ATOM 0 HA CYS A 14 2.553 10.993 2.272 1.00 0.66 H new ATOM 0 HB2 CYS A 14 0.020 10.165 3.274 1.00 0.57 H new ATOM 0 HB3 CYS A 14 1.215 9.248 4.171 1.00 0.57 H new ATOM 191 N ASN A 15 4.109 9.060 1.922 1.00 1.14 N ATOM 192 CA ASN A 15 5.127 8.010 1.957 1.00 1.38 C ATOM 193 C ASN A 15 5.085 7.251 3.286 1.00 1.45 C ATOM 194 O ASN A 15 4.721 7.813 4.316 1.00 1.67 O ATOM 195 CB ASN A 15 6.507 8.639 1.733 1.00 1.80 C ATOM 196 CG ASN A 15 7.653 7.685 2.003 1.00 2.66 C ATOM 197 OD1 ASN A 15 7.655 6.546 1.538 1.00 3.47 O ATOM 198 ND2 ASN A 15 8.636 8.155 2.762 1.00 2.79 N ATOM 0 H ASN A 15 4.416 9.922 1.471 1.00 1.14 H new ATOM 0 HA ASN A 15 4.926 7.291 1.163 1.00 1.38 H new ATOM 0 HB2 ASN A 15 6.574 8.994 0.705 1.00 1.80 H new ATOM 0 HB3 ASN A 15 6.610 9.511 2.379 1.00 1.80 H new ATOM 0 HD21 ASN A 15 9.438 7.564 2.982 1.00 2.79 H new ATOM 0 HD22 ASN A 15 8.590 9.107 3.125 1.00 2.79 H new ATOM 205 N ASN A 16 5.436 5.968 3.248 1.00 1.52 N ATOM 206 CA ASN A 16 5.419 5.121 4.443 1.00 1.71 C ATOM 207 C ASN A 16 4.136 5.327 5.252 1.00 1.58 C ATOM 208 O ASN A 16 4.182 5.582 6.456 1.00 1.70 O ATOM 209 CB ASN A 16 6.650 5.374 5.323 1.00 2.05 C ATOM 210 CG ASN A 16 6.615 6.707 6.045 1.00 2.98 C ATOM 211 OD1 ASN A 16 6.185 6.793 7.195 1.00 3.78 O ATOM 212 ND2 ASN A 16 7.078 7.754 5.376 1.00 3.13 N ATOM 0 H ASN A 16 5.737 5.488 2.400 1.00 1.52 H new ATOM 0 HA ASN A 16 5.448 4.085 4.105 1.00 1.71 H new ATOM 0 HB2 ASN A 16 6.731 4.574 6.058 1.00 2.05 H new ATOM 0 HB3 ASN A 16 7.545 5.329 4.703 1.00 2.05 H new ATOM 0 HD21 ASN A 16 7.087 8.675 5.813 1.00 3.13 H new ATOM 0 HD22 ASN A 16 7.425 7.638 4.424 1.00 3.13 H new ATOM 219 N PRO A 17 2.969 5.210 4.598 1.00 1.39 N ATOM 220 CA PRO A 17 1.672 5.378 5.263 1.00 1.34 C ATOM 221 C PRO A 17 1.415 4.296 6.308 1.00 1.67 C ATOM 222 O PRO A 17 0.513 4.422 7.137 1.00 1.76 O ATOM 223 CB PRO A 17 0.661 5.269 4.118 1.00 1.20 C ATOM 224 CG PRO A 17 1.372 4.518 3.045 1.00 1.29 C ATOM 225 CD PRO A 17 2.821 4.895 3.166 1.00 1.32 C ATOM 0 HA PRO A 17 1.614 6.321 5.807 1.00 1.34 H new ATOM 0 HB2 PRO A 17 -0.240 4.745 4.436 1.00 1.20 H new ATOM 0 HB3 PRO A 17 0.351 6.254 3.771 1.00 1.20 H new ATOM 0 HG2 PRO A 17 1.237 3.443 3.166 1.00 1.29 H new ATOM 0 HG3 PRO A 17 0.982 4.779 2.061 1.00 1.29 H new ATOM 0 HD2 PRO A 17 3.476 4.078 2.864 1.00 1.32 H new ATOM 0 HD3 PRO A 17 3.068 5.751 2.538 1.00 1.32 H new ATOM 233 N SER A 18 2.215 3.234 6.265 1.00 1.90 N ATOM 234 CA SER A 18 2.078 2.129 7.208 1.00 2.24 C ATOM 235 C SER A 18 2.501 2.543 8.617 1.00 2.44 C ATOM 236 O SER A 18 2.267 1.813 9.581 1.00 2.75 O ATOM 237 CB SER A 18 2.914 0.935 6.747 1.00 2.43 C ATOM 238 OG SER A 18 2.625 0.597 5.401 1.00 2.49 O ATOM 0 H SER A 18 2.966 3.116 5.585 1.00 1.90 H new ATOM 0 HA SER A 18 1.026 1.846 7.238 1.00 2.24 H new ATOM 0 HB2 SER A 18 3.974 1.169 6.846 1.00 2.43 H new ATOM 0 HB3 SER A 18 2.715 0.078 7.391 1.00 2.43 H new ATOM 0 HG SER A 18 3.260 -0.082 5.091 1.00 2.49 H new ATOM 244 N SER A 19 3.122 3.715 8.736 1.00 2.30 N ATOM 245 CA SER A 19 3.570 4.212 10.032 1.00 2.53 C ATOM 246 C SER A 19 3.238 5.693 10.196 1.00 2.40 C ATOM 247 O SER A 19 3.646 6.325 11.171 1.00 2.81 O ATOM 248 CB SER A 19 5.076 3.996 10.191 1.00 2.75 C ATOM 249 OG SER A 19 5.467 4.108 11.548 1.00 3.16 O ATOM 0 H SER A 19 3.325 4.335 7.952 1.00 2.30 H new ATOM 0 HA SER A 19 3.044 3.654 10.806 1.00 2.53 H new ATOM 0 HB2 SER A 19 5.347 3.011 9.811 1.00 2.75 H new ATOM 0 HB3 SER A 19 5.617 4.729 9.592 1.00 2.75 H new ATOM 0 HG SER A 19 5.010 4.872 11.958 1.00 3.16 H new ATOM 255 N THR A 20 2.496 6.242 9.238 1.00 1.91 N ATOM 256 CA THR A 20 2.111 7.636 9.269 1.00 1.75 C ATOM 257 C THR A 20 1.093 7.898 10.376 1.00 1.78 C ATOM 258 O THR A 20 0.241 7.058 10.663 1.00 1.75 O ATOM 259 CB THR A 20 1.526 8.019 7.911 1.00 1.49 C ATOM 260 OG1 THR A 20 2.545 8.124 6.935 1.00 1.51 O ATOM 261 CG2 THR A 20 0.775 9.321 7.932 1.00 1.25 C ATOM 0 H THR A 20 2.150 5.730 8.426 1.00 1.91 H new ATOM 0 HA THR A 20 2.991 8.244 9.477 1.00 1.75 H new ATOM 0 HB THR A 20 0.827 7.220 7.664 1.00 1.49 H new ATOM 0 HG1 THR A 20 2.176 8.521 6.118 1.00 1.51 H new ATOM 0 HG21 THR A 20 0.386 9.533 6.936 1.00 1.25 H new ATOM 0 HG22 THR A 20 -0.053 9.252 8.638 1.00 1.25 H new ATOM 0 HG23 THR A 20 1.446 10.123 8.238 1.00 1.25 H new ATOM 269 N LYS A 21 1.181 9.077 10.983 1.00 1.89 N ATOM 270 CA LYS A 21 0.260 9.458 12.046 1.00 1.94 C ATOM 271 C LYS A 21 -0.957 10.168 11.464 1.00 1.80 C ATOM 272 O LYS A 21 -0.841 11.259 10.905 1.00 1.75 O ATOM 273 CB LYS A 21 0.960 10.364 13.061 1.00 2.11 C ATOM 274 CG LYS A 21 0.146 10.606 14.322 1.00 2.20 C ATOM 275 CD LYS A 21 -0.638 11.905 14.238 1.00 2.74 C ATOM 276 CE LYS A 21 -1.271 12.263 15.573 1.00 3.16 C ATOM 277 NZ LYS A 21 -0.502 13.319 16.287 1.00 3.64 N ATOM 0 H LYS A 21 1.880 9.784 10.757 1.00 1.89 H new ATOM 0 HA LYS A 21 -0.071 8.553 12.555 1.00 1.94 H new ATOM 0 HB2 LYS A 21 1.916 9.918 13.335 1.00 2.11 H new ATOM 0 HB3 LYS A 21 1.179 11.322 12.590 1.00 2.11 H new ATOM 0 HG2 LYS A 21 -0.541 9.774 14.478 1.00 2.20 H new ATOM 0 HG3 LYS A 21 0.811 10.636 15.185 1.00 2.20 H new ATOM 0 HD2 LYS A 21 0.024 12.711 13.921 1.00 2.74 H new ATOM 0 HD3 LYS A 21 -1.415 11.813 13.479 1.00 2.74 H new ATOM 0 HE2 LYS A 21 -2.293 12.606 15.410 1.00 3.16 H new ATOM 0 HE3 LYS A 21 -1.330 11.372 16.198 1.00 3.16 H new ATOM 0 HZ1 LYS A 21 -0.966 13.534 17.192 1.00 3.64 H new ATOM 0 HZ2 LYS A 21 0.466 12.983 16.466 1.00 3.64 H new ATOM 0 HZ3 LYS A 21 -0.468 14.179 15.703 1.00 3.64 H new ATOM 291 N VAL A 22 -2.123 9.547 11.598 1.00 1.78 N ATOM 292 CA VAL A 22 -3.349 10.114 11.091 1.00 1.72 C ATOM 293 C VAL A 22 -4.010 10.970 12.156 1.00 1.85 C ATOM 294 O VAL A 22 -4.754 10.472 13.001 1.00 1.97 O ATOM 295 CB VAL A 22 -4.320 9.002 10.641 1.00 1.72 C ATOM 296 CG1 VAL A 22 -5.671 9.576 10.248 1.00 1.81 C ATOM 297 CG2 VAL A 22 -3.719 8.209 9.493 1.00 1.73 C ATOM 0 H VAL A 22 -2.236 8.644 12.059 1.00 1.78 H new ATOM 0 HA VAL A 22 -3.106 10.736 10.229 1.00 1.72 H new ATOM 0 HB VAL A 22 -4.478 8.330 11.484 1.00 1.72 H new ATOM 0 HG11 VAL A 22 -6.333 8.768 9.936 1.00 1.81 H new ATOM 0 HG12 VAL A 22 -6.108 10.094 11.101 1.00 1.81 H new ATOM 0 HG13 VAL A 22 -5.542 10.278 9.424 1.00 1.81 H new ATOM 0 HG21 VAL A 22 -4.415 7.428 9.186 1.00 1.73 H new ATOM 0 HG22 VAL A 22 -3.527 8.875 8.652 1.00 1.73 H new ATOM 0 HG23 VAL A 22 -2.783 7.754 9.816 1.00 1.73 H new ATOM 307 N GLU A 23 -3.748 12.263 12.095 1.00 1.87 N ATOM 308 CA GLU A 23 -4.331 13.201 13.038 1.00 2.02 C ATOM 309 C GLU A 23 -5.672 13.689 12.514 1.00 1.99 C ATOM 310 O GLU A 23 -6.352 14.487 13.159 1.00 2.12 O ATOM 311 CB GLU A 23 -3.394 14.393 13.265 1.00 2.08 C ATOM 312 CG GLU A 23 -2.662 14.849 12.011 1.00 1.93 C ATOM 313 CD GLU A 23 -1.976 16.190 12.191 1.00 1.95 C ATOM 314 OE1 GLU A 23 -1.745 16.586 13.352 1.00 2.19 O ATOM 315 OE2 GLU A 23 -1.671 16.842 11.171 1.00 2.26 O ATOM 0 H GLU A 23 -3.134 12.689 11.401 1.00 1.87 H new ATOM 0 HA GLU A 23 -4.478 12.691 13.990 1.00 2.02 H new ATOM 0 HB2 GLU A 23 -3.973 15.228 13.660 1.00 2.08 H new ATOM 0 HB3 GLU A 23 -2.660 14.126 14.026 1.00 2.08 H new ATOM 0 HG2 GLU A 23 -1.920 14.100 11.735 1.00 1.93 H new ATOM 0 HG3 GLU A 23 -3.370 14.915 11.185 1.00 1.93 H new ATOM 322 N TYR A 24 -6.045 13.205 11.331 1.00 1.86 N ATOM 323 CA TYR A 24 -7.310 13.603 10.718 1.00 1.93 C ATOM 324 C TYR A 24 -8.034 12.418 10.090 1.00 1.95 C ATOM 325 O TYR A 24 -7.410 11.453 9.656 1.00 1.85 O ATOM 326 CB TYR A 24 -7.073 14.682 9.661 1.00 1.87 C ATOM 327 CG TYR A 24 -8.307 15.498 9.347 1.00 2.04 C ATOM 328 CD1 TYR A 24 -8.448 16.792 9.832 1.00 2.68 C ATOM 329 CD2 TYR A 24 -9.331 14.973 8.568 1.00 1.99 C ATOM 330 CE1 TYR A 24 -9.576 17.540 9.550 1.00 2.83 C ATOM 331 CE2 TYR A 24 -10.462 15.716 8.281 1.00 2.29 C ATOM 332 CZ TYR A 24 -10.579 16.998 8.774 1.00 2.51 C ATOM 333 OH TYR A 24 -11.702 17.741 8.491 1.00 2.78 O ATOM 0 H TYR A 24 -5.496 12.543 10.783 1.00 1.86 H new ATOM 0 HA TYR A 24 -7.943 14.002 11.511 1.00 1.93 H new ATOM 0 HB2 TYR A 24 -6.283 15.350 10.005 1.00 1.87 H new ATOM 0 HB3 TYR A 24 -6.716 14.211 8.745 1.00 1.87 H new ATOM 0 HD1 TYR A 24 -7.664 17.220 10.439 1.00 2.68 H new ATOM 0 HD2 TYR A 24 -9.242 13.969 8.180 1.00 1.99 H new ATOM 0 HE1 TYR A 24 -9.671 18.544 9.936 1.00 2.83 H new ATOM 0 HE2 TYR A 24 -11.249 15.294 7.674 1.00 2.29 H new ATOM 0 HH TYR A 24 -12.311 17.214 7.933 1.00 2.78 H new ATOM 343 N THR A 25 -9.357 12.512 10.023 1.00 2.15 N ATOM 344 CA THR A 25 -10.169 11.460 9.427 1.00 2.27 C ATOM 345 C THR A 25 -11.547 11.988 9.050 1.00 2.55 C ATOM 346 O THR A 25 -12.322 12.406 9.911 1.00 2.78 O ATOM 347 CB THR A 25 -10.312 10.274 10.379 1.00 2.36 C ATOM 348 OG1 THR A 25 -9.041 9.795 10.780 1.00 2.22 O ATOM 349 CG2 THR A 25 -11.071 9.116 9.767 1.00 2.50 C ATOM 0 H THR A 25 -9.890 13.307 10.375 1.00 2.15 H new ATOM 0 HA THR A 25 -9.661 11.123 8.523 1.00 2.27 H new ATOM 0 HB THR A 25 -10.874 10.649 11.234 1.00 2.36 H new ATOM 0 HG1 THR A 25 -8.361 10.099 10.143 1.00 2.22 H new ATOM 0 HG21 THR A 25 -11.140 8.304 10.490 1.00 2.50 H new ATOM 0 HG22 THR A 25 -12.074 9.443 9.491 1.00 2.50 H new ATOM 0 HG23 THR A 25 -10.546 8.766 8.878 1.00 2.50 H new ATOM 357 N ASP A 26 -11.845 11.966 7.758 1.00 2.61 N ATOM 358 CA ASP A 26 -13.129 12.440 7.259 1.00 2.94 C ATOM 359 C ASP A 26 -13.839 11.337 6.481 1.00 3.10 C ATOM 360 O ASP A 26 -13.511 10.159 6.622 1.00 3.01 O ATOM 361 CB ASP A 26 -12.925 13.672 6.371 1.00 2.96 C ATOM 362 CG ASP A 26 -13.741 14.862 6.838 1.00 3.17 C ATOM 363 OD1 ASP A 26 -14.082 15.715 5.992 1.00 3.71 O ATOM 364 OD2 ASP A 26 -14.038 14.940 8.048 1.00 3.39 O ATOM 0 H ASP A 26 -11.213 11.624 7.034 1.00 2.61 H new ATOM 0 HA ASP A 26 -13.753 12.718 8.108 1.00 2.94 H new ATOM 0 HB2 ASP A 26 -11.868 13.940 6.363 1.00 2.96 H new ATOM 0 HB3 ASP A 26 -13.199 13.427 5.345 1.00 2.96 H new ATOM 369 N ALA A 27 -14.807 11.722 5.655 1.00 3.36 N ATOM 370 CA ALA A 27 -15.549 10.755 4.854 1.00 3.55 C ATOM 371 C ALA A 27 -14.763 10.342 3.612 1.00 3.41 C ATOM 372 O ALA A 27 -15.249 9.563 2.792 1.00 3.58 O ATOM 373 CB ALA A 27 -16.905 11.323 4.462 1.00 3.90 C ATOM 0 H ALA A 27 -15.095 12.692 5.523 1.00 3.36 H new ATOM 0 HA ALA A 27 -15.703 9.863 5.462 1.00 3.55 H new ATOM 0 HB1 ALA A 27 -17.447 10.590 3.865 1.00 3.90 H new ATOM 0 HB2 ALA A 27 -17.477 11.553 5.361 1.00 3.90 H new ATOM 0 HB3 ALA A 27 -16.764 12.233 3.879 1.00 3.90 H new ATOM 379 N SER A 28 -13.541 10.854 3.483 1.00 3.10 N ATOM 380 CA SER A 28 -12.690 10.522 2.350 1.00 2.96 C ATOM 381 C SER A 28 -11.698 9.433 2.740 1.00 2.67 C ATOM 382 O SER A 28 -11.219 8.678 1.894 1.00 2.65 O ATOM 383 CB SER A 28 -11.942 11.763 1.862 1.00 2.90 C ATOM 384 OG SER A 28 -10.846 11.407 1.036 1.00 3.60 O ATOM 0 H SER A 28 -13.121 11.500 4.151 1.00 3.10 H new ATOM 0 HA SER A 28 -13.319 10.154 1.540 1.00 2.96 H new ATOM 0 HB2 SER A 28 -12.624 12.408 1.308 1.00 2.90 H new ATOM 0 HB3 SER A 28 -11.585 12.336 2.718 1.00 2.90 H new ATOM 0 HG SER A 28 -10.021 11.786 1.406 1.00 3.60 H new ATOM 390 N GLY A 29 -11.400 9.356 4.035 1.00 2.57 N ATOM 391 CA GLY A 29 -10.476 8.357 4.528 1.00 2.33 C ATOM 392 C GLY A 29 -9.637 8.864 5.685 1.00 2.13 C ATOM 393 O GLY A 29 -10.171 9.367 6.674 1.00 2.37 O ATOM 0 H GLY A 29 -11.785 9.972 4.751 1.00 2.57 H new ATOM 0 HA2 GLY A 29 -11.034 7.476 4.846 1.00 2.33 H new ATOM 0 HA3 GLY A 29 -9.819 8.043 3.717 1.00 2.33 H new ATOM 397 N GLN A 30 -8.320 8.729 5.563 1.00 1.73 N ATOM 398 CA GLN A 30 -7.406 9.173 6.608 1.00 1.58 C ATOM 399 C GLN A 30 -6.363 10.139 6.053 1.00 1.33 C ATOM 400 O GLN A 30 -5.947 10.023 4.901 1.00 1.22 O ATOM 401 CB GLN A 30 -6.711 7.969 7.244 1.00 1.53 C ATOM 402 CG GLN A 30 -7.651 7.066 8.025 1.00 2.06 C ATOM 403 CD GLN A 30 -6.972 5.802 8.515 1.00 1.92 C ATOM 404 OE1 GLN A 30 -6.936 5.527 9.714 1.00 2.24 O ATOM 405 NE2 GLN A 30 -6.427 5.024 7.586 1.00 1.83 N ATOM 0 H GLN A 30 -7.863 8.316 4.750 1.00 1.73 H new ATOM 0 HA GLN A 30 -7.989 9.697 7.366 1.00 1.58 H new ATOM 0 HB2 GLN A 30 -6.226 7.385 6.462 1.00 1.53 H new ATOM 0 HB3 GLN A 30 -5.925 8.324 7.910 1.00 1.53 H new ATOM 0 HG2 GLN A 30 -8.050 7.614 8.879 1.00 2.06 H new ATOM 0 HG3 GLN A 30 -8.499 6.798 7.394 1.00 2.06 H new ATOM 0 HE21 GLN A 30 -6.480 5.290 6.603 1.00 1.83 H new ATOM 0 HE22 GLN A 30 -5.956 4.161 7.856 1.00 1.83 H new ATOM 414 N TRP A 31 -5.943 11.090 6.883 1.00 1.30 N ATOM 415 CA TRP A 31 -4.945 12.073 6.476 1.00 1.15 C ATOM 416 C TRP A 31 -3.902 12.276 7.570 1.00 1.12 C ATOM 417 O TRP A 31 -4.188 12.104 8.756 1.00 1.27 O ATOM 418 CB TRP A 31 -5.610 13.410 6.140 1.00 1.33 C ATOM 419 CG TRP A 31 -6.869 13.269 5.339 1.00 1.55 C ATOM 420 CD1 TRP A 31 -8.107 12.937 5.808 1.00 1.74 C ATOM 421 CD2 TRP A 31 -7.011 13.459 3.927 1.00 1.70 C ATOM 422 NE1 TRP A 31 -9.011 12.909 4.773 1.00 1.98 N ATOM 423 CE2 TRP A 31 -8.362 13.227 3.608 1.00 1.96 C ATOM 424 CE3 TRP A 31 -6.127 13.804 2.900 1.00 1.72 C ATOM 425 CZ2 TRP A 31 -8.848 13.328 2.307 1.00 2.19 C ATOM 426 CZ3 TRP A 31 -6.611 13.905 1.610 1.00 1.96 C ATOM 427 CH2 TRP A 31 -7.961 13.668 1.323 1.00 2.18 C ATOM 0 H TRP A 31 -6.278 11.200 7.840 1.00 1.30 H new ATOM 0 HA TRP A 31 -4.446 11.691 5.585 1.00 1.15 H new ATOM 0 HB2 TRP A 31 -5.836 13.937 7.067 1.00 1.33 H new ATOM 0 HB3 TRP A 31 -4.904 14.028 5.586 1.00 1.33 H new ATOM 0 HD1 TRP A 31 -8.342 12.727 6.841 1.00 1.74 H new ATOM 0 HE1 TRP A 31 -10.003 12.688 4.858 1.00 1.98 H new ATOM 0 HE3 TRP A 31 -5.084 13.988 3.112 1.00 1.72 H new ATOM 0 HZ2 TRP A 31 -9.888 13.144 2.083 1.00 2.19 H new ATOM 0 HZ3 TRP A 31 -5.937 14.171 0.809 1.00 1.96 H new ATOM 0 HH2 TRP A 31 -8.309 13.755 0.304 1.00 2.18 H new ATOM 438 N GLY A 32 -2.692 12.644 7.163 1.00 1.09 N ATOM 439 CA GLY A 32 -1.620 12.866 8.116 1.00 1.27 C ATOM 440 C GLY A 32 -0.483 13.676 7.525 1.00 1.35 C ATOM 441 O GLY A 32 -0.257 13.648 6.315 1.00 1.24 O ATOM 0 H GLY A 32 -2.434 12.793 6.187 1.00 1.09 H new ATOM 0 HA2 GLY A 32 -2.015 13.383 8.990 1.00 1.27 H new ATOM 0 HA3 GLY A 32 -1.238 11.905 8.460 1.00 1.27 H new ATOM 445 N VAL A 33 0.233 14.402 8.377 1.00 1.69 N ATOM 446 CA VAL A 33 1.350 15.223 7.926 1.00 1.88 C ATOM 447 C VAL A 33 2.677 14.493 8.092 1.00 2.02 C ATOM 448 O VAL A 33 3.112 14.222 9.212 1.00 2.24 O ATOM 449 CB VAL A 33 1.419 16.558 8.694 1.00 2.16 C ATOM 450 CG1 VAL A 33 2.572 17.414 8.184 1.00 2.36 C ATOM 451 CG2 VAL A 33 0.101 17.308 8.582 1.00 2.12 C ATOM 0 H VAL A 33 0.060 14.438 9.382 1.00 1.69 H new ATOM 0 HA VAL A 33 1.178 15.426 6.869 1.00 1.88 H new ATOM 0 HB VAL A 33 1.599 16.339 9.746 1.00 2.16 H new ATOM 0 HG11 VAL A 33 2.603 18.351 8.739 1.00 2.36 H new ATOM 0 HG12 VAL A 33 3.511 16.879 8.323 1.00 2.36 H new ATOM 0 HG13 VAL A 33 2.428 17.625 7.124 1.00 2.36 H new ATOM 0 HG21 VAL A 33 0.169 18.248 9.130 1.00 2.12 H new ATOM 0 HG22 VAL A 33 -0.112 17.515 7.533 1.00 2.12 H new ATOM 0 HG23 VAL A 33 -0.700 16.700 9.002 1.00 2.12 H new ATOM 461 N GLN A 34 3.325 14.193 6.973 1.00 1.95 N ATOM 462 CA GLN A 34 4.612 13.513 7.000 1.00 2.14 C ATOM 463 C GLN A 34 5.670 14.340 6.293 1.00 2.28 C ATOM 464 O GLN A 34 5.477 14.767 5.155 1.00 2.24 O ATOM 465 CB GLN A 34 4.527 12.140 6.337 1.00 2.08 C ATOM 466 CG GLN A 34 5.606 11.184 6.811 1.00 2.31 C ATOM 467 CD GLN A 34 5.042 9.902 7.385 1.00 2.20 C ATOM 468 OE1 GLN A 34 4.737 9.817 8.574 1.00 2.74 O ATOM 469 NE2 GLN A 34 4.903 8.897 6.535 1.00 1.76 N ATOM 0 H GLN A 34 2.980 14.410 6.038 1.00 1.95 H new ATOM 0 HA GLN A 34 4.888 13.384 8.047 1.00 2.14 H new ATOM 0 HB2 GLN A 34 3.549 11.704 6.540 1.00 2.08 H new ATOM 0 HB3 GLN A 34 4.604 12.259 5.256 1.00 2.08 H new ATOM 0 HG2 GLN A 34 6.265 10.944 5.976 1.00 2.31 H new ATOM 0 HG3 GLN A 34 6.216 11.678 7.567 1.00 2.31 H new ATOM 0 HE21 GLN A 34 5.170 9.015 5.558 1.00 1.76 H new ATOM 0 HE22 GLN A 34 4.529 8.004 6.857 1.00 1.76 H new ATOM 478 N ASN A 35 6.793 14.555 6.964 1.00 2.48 N ATOM 479 CA ASN A 35 7.879 15.320 6.378 1.00 2.65 C ATOM 480 C ASN A 35 7.415 16.736 6.027 1.00 2.67 C ATOM 481 O ASN A 35 7.899 17.349 5.077 1.00 2.75 O ATOM 482 CB ASN A 35 8.396 14.580 5.138 1.00 2.60 C ATOM 483 CG ASN A 35 9.428 15.363 4.354 1.00 3.02 C ATOM 484 OD1 ASN A 35 10.297 16.021 4.925 1.00 3.66 O ATOM 485 ND2 ASN A 35 9.331 15.292 3.033 1.00 3.10 N ATOM 0 H ASN A 35 6.973 14.212 7.908 1.00 2.48 H new ATOM 0 HA ASN A 35 8.691 15.416 7.099 1.00 2.65 H new ATOM 0 HB2 ASN A 35 8.831 13.629 5.447 1.00 2.60 H new ATOM 0 HB3 ASN A 35 7.554 14.349 4.485 1.00 2.60 H new ATOM 0 HD21 ASN A 35 9.995 15.796 2.445 1.00 3.10 H new ATOM 0 HD22 ASN A 35 8.593 14.733 2.605 1.00 3.10 H new ATOM 492 N GLY A 36 6.473 17.250 6.813 1.00 2.65 N ATOM 493 CA GLY A 36 5.958 18.587 6.583 1.00 2.72 C ATOM 494 C GLY A 36 5.162 18.698 5.297 1.00 2.52 C ATOM 495 O GLY A 36 5.357 19.632 4.520 1.00 2.65 O ATOM 0 H GLY A 36 6.057 16.763 7.607 1.00 2.65 H new ATOM 0 HA2 GLY A 36 5.326 18.877 7.422 1.00 2.72 H new ATOM 0 HA3 GLY A 36 6.789 19.291 6.552 1.00 2.72 H new ATOM 499 N GLN A 37 4.263 17.745 5.072 1.00 2.27 N ATOM 500 CA GLN A 37 3.437 17.745 3.870 1.00 2.12 C ATOM 501 C GLN A 37 2.164 16.929 4.079 1.00 1.84 C ATOM 502 O GLN A 37 2.220 15.767 4.482 1.00 1.69 O ATOM 503 CB GLN A 37 4.224 17.181 2.685 1.00 2.15 C ATOM 504 CG GLN A 37 5.532 17.908 2.420 1.00 2.26 C ATOM 505 CD GLN A 37 6.193 17.466 1.129 1.00 2.45 C ATOM 506 OE1 GLN A 37 7.361 17.076 1.118 1.00 2.87 O ATOM 507 NE2 GLN A 37 5.447 17.525 0.032 1.00 2.58 N ATOM 0 H GLN A 37 4.088 16.964 5.705 1.00 2.27 H new ATOM 0 HA GLN A 37 3.155 18.776 3.657 1.00 2.12 H new ATOM 0 HB2 GLN A 37 4.435 16.127 2.868 1.00 2.15 H new ATOM 0 HB3 GLN A 37 3.603 17.231 1.791 1.00 2.15 H new ATOM 0 HG2 GLN A 37 5.345 18.981 2.379 1.00 2.26 H new ATOM 0 HG3 GLN A 37 6.215 17.734 3.252 1.00 2.26 H new ATOM 0 HE21 GLN A 37 4.483 17.855 0.088 1.00 2.58 H new ATOM 0 HE22 GLN A 37 5.838 17.241 -0.866 1.00 2.58 H new ATOM 516 N TRP A 38 1.019 17.542 3.795 1.00 1.83 N ATOM 517 CA TRP A 38 -0.266 16.866 3.946 1.00 1.63 C ATOM 518 C TRP A 38 -0.380 15.711 2.958 1.00 1.38 C ATOM 519 O TRP A 38 0.098 15.801 1.827 1.00 1.49 O ATOM 520 CB TRP A 38 -1.417 17.849 3.726 1.00 1.83 C ATOM 521 CG TRP A 38 -1.859 18.545 4.977 1.00 1.68 C ATOM 522 CD1 TRP A 38 -1.962 19.892 5.167 1.00 1.85 C ATOM 523 CD2 TRP A 38 -2.261 17.933 6.208 1.00 1.67 C ATOM 524 NE1 TRP A 38 -2.401 20.157 6.442 1.00 2.02 N ATOM 525 CE2 TRP A 38 -2.592 18.970 7.101 1.00 1.83 C ATOM 526 CE3 TRP A 38 -2.374 16.608 6.644 1.00 1.77 C ATOM 527 CZ2 TRP A 38 -3.027 18.725 8.401 1.00 1.99 C ATOM 528 CZ3 TRP A 38 -2.806 16.367 7.936 1.00 1.84 C ATOM 529 CH2 TRP A 38 -3.128 17.420 8.800 1.00 1.90 C ATOM 0 H TRP A 38 0.954 18.503 3.460 1.00 1.83 H new ATOM 0 HA TRP A 38 -0.326 16.472 4.960 1.00 1.63 H new ATOM 0 HB2 TRP A 38 -1.111 18.596 2.994 1.00 1.83 H new ATOM 0 HB3 TRP A 38 -2.265 17.313 3.299 1.00 1.83 H new ATOM 0 HD1 TRP A 38 -1.732 20.641 4.424 1.00 1.85 H new ATOM 0 HE1 TRP A 38 -2.559 21.085 6.834 1.00 2.02 H new ATOM 0 HE3 TRP A 38 -2.129 15.789 5.984 1.00 1.77 H new ATOM 0 HZ2 TRP A 38 -3.276 19.536 9.070 1.00 1.99 H new ATOM 0 HZ3 TRP A 38 -2.896 15.349 8.284 1.00 1.84 H new ATOM 0 HH2 TRP A 38 -3.463 17.198 9.802 1.00 1.90 H new ATOM 540 N CYS A 39 -1.015 14.627 3.388 1.00 1.21 N ATOM 541 CA CYS A 39 -1.186 13.459 2.531 1.00 0.99 C ATOM 542 C CYS A 39 -2.046 12.399 3.210 1.00 0.82 C ATOM 543 O CYS A 39 -2.041 12.270 4.434 1.00 0.88 O ATOM 544 CB CYS A 39 0.174 12.862 2.152 1.00 0.92 C ATOM 545 SG CYS A 39 1.506 13.164 3.362 1.00 1.07 S ATOM 0 H CYS A 39 -1.418 14.532 4.320 1.00 1.21 H new ATOM 0 HA CYS A 39 -1.694 13.787 1.624 1.00 0.99 H new ATOM 0 HB2 CYS A 39 0.059 11.786 2.021 1.00 0.92 H new ATOM 0 HB3 CYS A 39 0.478 13.270 1.188 1.00 0.92 H new ATOM 550 N GLY A 40 -2.783 11.642 2.403 1.00 0.78 N ATOM 551 CA GLY A 40 -3.639 10.599 2.938 1.00 0.80 C ATOM 552 C GLY A 40 -2.875 9.326 3.244 1.00 0.66 C ATOM 553 O GLY A 40 -1.831 9.063 2.648 1.00 0.61 O ATOM 0 H GLY A 40 -2.803 11.733 1.387 1.00 0.78 H new ATOM 0 HA2 GLY A 40 -4.120 10.958 3.848 1.00 0.80 H new ATOM 0 HA3 GLY A 40 -4.432 10.381 2.223 1.00 0.80 H new ATOM 557 N ILE A 41 -3.396 8.534 4.175 1.00 0.94 N ATOM 558 CA ILE A 41 -2.754 7.283 4.555 1.00 1.02 C ATOM 559 C ILE A 41 -3.232 6.137 3.670 1.00 1.20 C ATOM 560 O ILE A 41 -4.284 5.544 3.911 1.00 1.51 O ATOM 561 CB ILE A 41 -3.010 6.952 6.045 1.00 1.30 C ATOM 562 CG1 ILE A 41 -1.990 7.679 6.917 1.00 1.69 C ATOM 563 CG2 ILE A 41 -2.952 5.451 6.304 1.00 1.20 C ATOM 564 CD1 ILE A 41 -2.196 9.175 6.956 1.00 1.08 C ATOM 0 H ILE A 41 -4.259 8.736 4.679 1.00 0.94 H new ATOM 0 HA ILE A 41 -1.680 7.407 4.413 1.00 1.02 H new ATOM 0 HB ILE A 41 -4.014 7.291 6.300 1.00 1.30 H new ATOM 0 HG12 ILE A 41 -2.044 7.285 7.932 1.00 1.69 H new ATOM 0 HG13 ILE A 41 -0.988 7.467 6.545 1.00 1.69 H new ATOM 0 HG21 ILE A 41 -3.136 5.257 7.361 1.00 1.20 H new ATOM 0 HG22 ILE A 41 -3.711 4.949 5.705 1.00 1.20 H new ATOM 0 HG23 ILE A 41 -1.967 5.073 6.032 1.00 1.20 H new ATOM 0 HD11 ILE A 41 -1.438 9.630 7.593 1.00 1.08 H new ATOM 0 HD12 ILE A 41 -2.113 9.580 5.947 1.00 1.08 H new ATOM 0 HD13 ILE A 41 -3.186 9.396 7.356 1.00 1.08 H new ATOM 576 N ASP A 42 -2.446 5.832 2.645 1.00 1.07 N ATOM 577 CA ASP A 42 -2.775 4.759 1.718 1.00 1.32 C ATOM 578 C ASP A 42 -1.691 3.688 1.737 1.00 1.36 C ATOM 579 O ASP A 42 -0.721 3.762 0.983 1.00 1.24 O ATOM 580 CB ASP A 42 -2.939 5.314 0.300 1.00 1.33 C ATOM 581 CG ASP A 42 -3.928 6.462 0.233 1.00 1.99 C ATOM 582 OD1 ASP A 42 -4.308 6.984 1.302 1.00 2.64 O ATOM 583 OD2 ASP A 42 -4.318 6.842 -0.891 1.00 2.55 O ATOM 0 H ASP A 42 -1.573 6.316 2.435 1.00 1.07 H new ATOM 0 HA ASP A 42 -3.717 4.309 2.032 1.00 1.32 H new ATOM 0 HB2 ASP A 42 -1.970 5.652 -0.068 1.00 1.33 H new ATOM 0 HB3 ASP A 42 -3.271 4.515 -0.363 1.00 1.33 H new ATOM 588 N TYR A 43 -1.857 2.692 2.603 1.00 1.60 N ATOM 589 CA TYR A 43 -0.884 1.606 2.715 1.00 1.71 C ATOM 590 C TYR A 43 -0.518 1.064 1.335 1.00 1.83 C ATOM 591 O TYR A 43 0.598 0.593 1.115 1.00 1.98 O ATOM 592 CB TYR A 43 -1.434 0.491 3.606 1.00 2.04 C ATOM 593 CG TYR A 43 -2.012 0.994 4.913 1.00 2.11 C ATOM 594 CD1 TYR A 43 -3.037 0.306 5.551 1.00 2.54 C ATOM 595 CD2 TYR A 43 -1.533 2.157 5.508 1.00 1.86 C ATOM 596 CE1 TYR A 43 -3.567 0.762 6.744 1.00 2.65 C ATOM 597 CE2 TYR A 43 -2.058 2.618 6.700 1.00 1.96 C ATOM 598 CZ TYR A 43 -3.075 1.918 7.314 1.00 2.32 C ATOM 599 OH TYR A 43 -3.601 2.373 8.501 1.00 2.47 O ATOM 0 H TYR A 43 -2.653 2.613 3.236 1.00 1.60 H new ATOM 0 HA TYR A 43 0.023 2.000 3.174 1.00 1.71 H new ATOM 0 HB2 TYR A 43 -2.206 -0.052 3.061 1.00 2.04 H new ATOM 0 HB3 TYR A 43 -0.636 -0.220 3.820 1.00 2.04 H new ATOM 0 HD1 TYR A 43 -3.426 -0.599 5.108 1.00 2.54 H new ATOM 0 HD2 TYR A 43 -0.737 2.709 5.030 1.00 1.86 H new ATOM 0 HE1 TYR A 43 -4.363 0.215 7.228 1.00 2.65 H new ATOM 0 HE2 TYR A 43 -1.674 3.522 7.149 1.00 1.96 H new ATOM 0 HH TYR A 43 -3.143 3.198 8.767 1.00 2.47 H new ATOM 609 N SER A 44 -1.460 1.163 0.404 1.00 1.89 N ATOM 610 CA SER A 44 -1.245 0.717 -0.966 1.00 2.07 C ATOM 611 C SER A 44 -1.392 1.901 -1.913 1.00 2.00 C ATOM 612 O SER A 44 -2.119 1.835 -2.905 1.00 2.22 O ATOM 613 CB SER A 44 -2.242 -0.381 -1.340 1.00 2.42 C ATOM 614 OG SER A 44 -1.788 -1.652 -0.910 1.00 2.38 O ATOM 0 H SER A 44 -2.387 1.552 0.576 1.00 1.89 H new ATOM 0 HA SER A 44 -0.239 0.306 -1.049 1.00 2.07 H new ATOM 0 HB2 SER A 44 -3.211 -0.166 -0.889 1.00 2.42 H new ATOM 0 HB3 SER A 44 -2.389 -0.390 -2.420 1.00 2.42 H new ATOM 0 HG SER A 44 -2.444 -2.336 -1.160 1.00 2.38 H new ATOM 620 N TYR A 45 -0.711 2.994 -1.582 1.00 1.75 N ATOM 621 CA TYR A 45 -0.778 4.211 -2.380 1.00 1.77 C ATOM 622 C TYR A 45 -0.143 4.031 -3.760 1.00 1.91 C ATOM 623 O TYR A 45 -0.261 4.906 -4.612 1.00 2.37 O ATOM 624 CB TYR A 45 -0.139 5.379 -1.614 1.00 1.59 C ATOM 625 CG TYR A 45 1.275 5.725 -2.022 1.00 1.40 C ATOM 626 CD1 TYR A 45 2.359 5.321 -1.255 1.00 1.75 C ATOM 627 CD2 TYR A 45 1.520 6.473 -3.163 1.00 1.52 C ATOM 628 CE1 TYR A 45 3.650 5.654 -1.616 1.00 1.62 C ATOM 629 CE2 TYR A 45 2.807 6.808 -3.534 1.00 1.61 C ATOM 630 CZ TYR A 45 3.869 6.397 -2.756 1.00 1.33 C ATOM 631 OH TYR A 45 5.154 6.730 -3.120 1.00 1.45 O ATOM 0 H TYR A 45 -0.105 3.060 -0.764 1.00 1.75 H new ATOM 0 HA TYR A 45 -1.829 4.442 -2.553 1.00 1.77 H new ATOM 0 HB2 TYR A 45 -0.764 6.263 -1.745 1.00 1.59 H new ATOM 0 HB3 TYR A 45 -0.144 5.140 -0.551 1.00 1.59 H new ATOM 0 HD1 TYR A 45 2.190 4.737 -0.362 1.00 1.75 H new ATOM 0 HD2 TYR A 45 0.690 6.799 -3.772 1.00 1.52 H new ATOM 0 HE1 TYR A 45 4.483 5.334 -1.008 1.00 1.62 H new ATOM 0 HE2 TYR A 45 2.981 7.388 -4.428 1.00 1.61 H new ATOM 0 HH TYR A 45 5.758 6.581 -2.363 1.00 1.45 H new ATOM 641 N GLY A 46 0.513 2.897 -3.988 1.00 1.85 N ATOM 642 CA GLY A 46 1.123 2.651 -5.283 1.00 1.99 C ATOM 643 C GLY A 46 2.626 2.485 -5.211 1.00 1.73 C ATOM 644 O GLY A 46 3.359 3.073 -6.005 1.00 1.91 O ATOM 0 H GLY A 46 0.633 2.149 -3.305 1.00 1.85 H new ATOM 0 HA2 GLY A 46 0.685 1.753 -5.719 1.00 1.99 H new ATOM 0 HA3 GLY A 46 0.887 3.478 -5.952 1.00 1.99 H new ATOM 648 N GLN A 47 3.088 1.679 -4.265 1.00 1.55 N ATOM 649 CA GLN A 47 4.515 1.438 -4.105 1.00 1.48 C ATOM 650 C GLN A 47 4.921 0.131 -4.778 1.00 1.46 C ATOM 651 O GLN A 47 4.192 -0.860 -4.729 1.00 1.52 O ATOM 652 CB GLN A 47 4.883 1.422 -2.623 1.00 1.40 C ATOM 653 CG GLN A 47 4.666 2.764 -1.943 1.00 1.27 C ATOM 654 CD GLN A 47 5.877 3.223 -1.153 1.00 1.84 C ATOM 655 OE1 GLN A 47 6.186 2.676 -0.094 1.00 2.41 O ATOM 656 NE2 GLN A 47 6.570 4.233 -1.666 1.00 2.21 N ATOM 0 H GLN A 47 2.497 1.182 -3.598 1.00 1.55 H new ATOM 0 HA GLN A 47 5.061 2.248 -4.589 1.00 1.48 H new ATOM 0 HB2 GLN A 47 4.288 0.663 -2.115 1.00 1.40 H new ATOM 0 HB3 GLN A 47 5.928 1.132 -2.517 1.00 1.40 H new ATOM 0 HG2 GLN A 47 4.424 3.513 -2.696 1.00 1.27 H new ATOM 0 HG3 GLN A 47 3.807 2.694 -1.275 1.00 1.27 H new ATOM 0 HE21 GLN A 47 6.278 4.657 -2.547 1.00 2.21 H new ATOM 0 HE22 GLN A 47 7.394 4.585 -1.179 1.00 2.21 H new ATOM 665 N ASN A 48 6.084 0.145 -5.420 1.00 1.52 N ATOM 666 CA ASN A 48 6.593 -1.027 -6.126 1.00 1.61 C ATOM 667 C ASN A 48 6.688 -2.247 -5.213 1.00 1.39 C ATOM 668 O ASN A 48 6.408 -2.171 -4.016 1.00 1.36 O ATOM 669 CB ASN A 48 7.967 -0.724 -6.725 1.00 1.86 C ATOM 670 CG ASN A 48 7.996 0.596 -7.472 1.00 2.22 C ATOM 671 OD1 ASN A 48 6.952 1.164 -7.792 1.00 2.72 O ATOM 672 ND2 ASN A 48 9.196 1.090 -7.753 1.00 2.64 N ATOM 0 H ASN A 48 6.696 0.960 -5.466 1.00 1.52 H new ATOM 0 HA ASN A 48 5.886 -1.260 -6.923 1.00 1.61 H new ATOM 0 HB2 ASN A 48 8.711 -0.704 -5.928 1.00 1.86 H new ATOM 0 HB3 ASN A 48 8.249 -1.529 -7.404 1.00 1.86 H new ATOM 0 HD21 ASN A 48 9.279 1.975 -8.254 1.00 2.64 H new ATOM 0 HD22 ASN A 48 10.035 0.585 -7.468 1.00 2.64 H new ATOM 679 N GLN A 49 7.091 -3.370 -5.802 1.00 1.32 N ATOM 680 CA GLN A 49 7.242 -4.628 -5.077 1.00 1.20 C ATOM 681 C GLN A 49 8.673 -4.752 -4.524 1.00 1.23 C ATOM 682 O GLN A 49 9.260 -5.830 -4.488 1.00 1.29 O ATOM 683 CB GLN A 49 6.867 -5.794 -6.022 1.00 1.21 C ATOM 684 CG GLN A 49 7.524 -7.135 -5.724 1.00 1.89 C ATOM 685 CD GLN A 49 8.772 -7.371 -6.553 1.00 2.89 C ATOM 686 OE1 GLN A 49 9.081 -6.602 -7.464 1.00 3.63 O ATOM 687 NE2 GLN A 49 9.497 -8.439 -6.242 1.00 3.35 N ATOM 0 H GLN A 49 7.322 -3.433 -6.794 1.00 1.32 H new ATOM 0 HA GLN A 49 6.572 -4.660 -4.218 1.00 1.20 H new ATOM 0 HB2 GLN A 49 5.786 -5.927 -5.990 1.00 1.21 H new ATOM 0 HB3 GLN A 49 7.123 -5.505 -7.041 1.00 1.21 H new ATOM 0 HG2 GLN A 49 7.781 -7.182 -4.666 1.00 1.89 H new ATOM 0 HG3 GLN A 49 6.809 -7.936 -5.914 1.00 1.89 H new ATOM 0 HE21 GLN A 49 9.204 -9.050 -5.479 1.00 3.35 H new ATOM 0 HE22 GLN A 49 10.347 -8.649 -6.766 1.00 3.35 H new ATOM 696 N GLY A 50 9.235 -3.625 -4.091 1.00 1.41 N ATOM 697 CA GLY A 50 10.584 -3.626 -3.554 1.00 1.57 C ATOM 698 C GLY A 50 10.634 -3.896 -2.061 1.00 1.66 C ATOM 699 O GLY A 50 11.658 -3.661 -1.420 1.00 1.87 O ATOM 0 H GLY A 50 8.780 -2.712 -4.103 1.00 1.41 H new ATOM 0 HA2 GLY A 50 11.174 -4.381 -4.073 1.00 1.57 H new ATOM 0 HA3 GLY A 50 11.050 -2.662 -3.758 1.00 1.57 H new ATOM 703 N ASN A 51 9.533 -4.394 -1.502 1.00 1.58 N ATOM 704 CA ASN A 51 9.472 -4.697 -0.075 1.00 1.72 C ATOM 705 C ASN A 51 9.535 -3.422 0.764 1.00 2.01 C ATOM 706 O ASN A 51 10.225 -3.372 1.783 1.00 2.35 O ATOM 707 CB ASN A 51 10.617 -5.632 0.315 1.00 1.98 C ATOM 708 CG ASN A 51 10.332 -6.398 1.592 1.00 2.20 C ATOM 709 OD1 ASN A 51 10.844 -6.061 2.659 1.00 2.84 O ATOM 710 ND2 ASN A 51 9.510 -7.436 1.488 1.00 2.54 N ATOM 0 H ASN A 51 8.674 -4.595 -2.014 1.00 1.58 H new ATOM 0 HA ASN A 51 8.520 -5.190 0.123 1.00 1.72 H new ATOM 0 HB2 ASN A 51 10.797 -6.338 -0.496 1.00 1.98 H new ATOM 0 HB3 ASN A 51 11.530 -5.050 0.440 1.00 1.98 H new ATOM 0 HD21 ASN A 51 9.281 -7.990 2.313 1.00 2.54 H new ATOM 0 HD22 ASN A 51 9.108 -7.680 0.583 1.00 2.54 H new ATOM 717 N GLU A 52 8.814 -2.394 0.329 1.00 2.01 N ATOM 718 CA GLU A 52 8.793 -1.121 1.040 1.00 2.39 C ATOM 719 C GLU A 52 7.938 -1.205 2.303 1.00 2.34 C ATOM 720 O GLU A 52 8.204 -0.518 3.289 1.00 2.57 O ATOM 721 CB GLU A 52 8.262 -0.014 0.127 1.00 2.60 C ATOM 722 CG GLU A 52 9.179 0.298 -1.046 1.00 2.58 C ATOM 723 CD GLU A 52 9.467 1.780 -1.185 1.00 2.99 C ATOM 724 OE1 GLU A 52 8.582 2.592 -0.840 1.00 3.87 O ATOM 725 OE2 GLU A 52 10.577 2.129 -1.638 1.00 2.94 O ATOM 0 H GLU A 52 8.237 -2.417 -0.512 1.00 2.01 H new ATOM 0 HA GLU A 52 9.816 -0.887 1.335 1.00 2.39 H new ATOM 0 HB2 GLU A 52 7.284 -0.307 -0.255 1.00 2.60 H new ATOM 0 HB3 GLU A 52 8.116 0.892 0.715 1.00 2.60 H new ATOM 0 HG2 GLU A 52 10.118 -0.240 -0.921 1.00 2.58 H new ATOM 0 HG3 GLU A 52 8.723 -0.067 -1.966 1.00 2.58 H new ATOM 732 N SER A 53 6.910 -2.048 2.266 1.00 2.06 N ATOM 733 CA SER A 53 6.018 -2.214 3.410 1.00 2.03 C ATOM 734 C SER A 53 5.249 -3.530 3.328 1.00 1.66 C ATOM 735 O SER A 53 5.534 -4.377 2.483 1.00 1.39 O ATOM 736 CB SER A 53 5.037 -1.043 3.488 1.00 2.29 C ATOM 737 OG SER A 53 4.762 -0.697 4.835 1.00 2.20 O ATOM 0 H SER A 53 6.674 -2.625 1.459 1.00 2.06 H new ATOM 0 HA SER A 53 6.631 -2.234 4.311 1.00 2.03 H new ATOM 0 HB2 SER A 53 5.452 -0.181 2.965 1.00 2.29 H new ATOM 0 HB3 SER A 53 4.109 -1.307 2.980 1.00 2.29 H new ATOM 0 HG SER A 53 5.030 0.232 4.995 1.00 2.20 H new ATOM 743 N CYS A 54 4.270 -3.690 4.216 1.00 1.68 N ATOM 744 CA CYS A 54 3.454 -4.899 4.250 1.00 1.34 C ATOM 745 C CYS A 54 1.981 -4.553 4.460 1.00 1.42 C ATOM 746 O CYS A 54 1.646 -3.430 4.824 1.00 1.77 O ATOM 747 CB CYS A 54 3.938 -5.839 5.365 1.00 1.38 C ATOM 748 SG CYS A 54 3.459 -5.319 7.050 1.00 1.91 S ATOM 0 H CYS A 54 4.023 -2.996 4.922 1.00 1.68 H new ATOM 0 HA CYS A 54 3.557 -5.406 3.290 1.00 1.34 H new ATOM 0 HB2 CYS A 54 3.542 -6.837 5.179 1.00 1.38 H new ATOM 0 HB3 CYS A 54 5.024 -5.913 5.316 1.00 1.38 H new ATOM 753 N THR A 55 1.109 -5.531 4.241 1.00 1.18 N ATOM 754 CA THR A 55 -0.321 -5.345 4.427 1.00 1.39 C ATOM 755 C THR A 55 -0.714 -5.765 5.837 1.00 1.42 C ATOM 756 O THR A 55 0.066 -6.410 6.537 1.00 1.19 O ATOM 757 CB THR A 55 -1.110 -6.158 3.394 1.00 1.33 C ATOM 758 OG1 THR A 55 -0.789 -5.742 2.079 1.00 1.45 O ATOM 759 CG2 THR A 55 -2.613 -6.045 3.558 1.00 1.69 C ATOM 0 H THR A 55 1.373 -6.467 3.932 1.00 1.18 H new ATOM 0 HA THR A 55 -0.559 -4.291 4.287 1.00 1.39 H new ATOM 0 HB THR A 55 -0.821 -7.195 3.563 1.00 1.33 H new ATOM 0 HG1 THR A 55 0.077 -6.119 1.819 1.00 1.45 H new ATOM 0 HG21 THR A 55 -3.108 -6.645 2.795 1.00 1.69 H new ATOM 0 HG22 THR A 55 -2.899 -6.406 4.546 1.00 1.69 H new ATOM 0 HG23 THR A 55 -2.913 -5.003 3.452 1.00 1.69 H new ATOM 767 N GLY A 56 -1.921 -5.409 6.248 1.00 1.79 N ATOM 768 CA GLY A 56 -2.378 -5.776 7.571 1.00 1.87 C ATOM 769 C GLY A 56 -1.784 -4.911 8.656 1.00 2.17 C ATOM 770 O GLY A 56 -1.850 -5.257 9.833 1.00 2.29 O ATOM 0 H GLY A 56 -2.589 -4.875 5.692 1.00 1.79 H new ATOM 0 HA2 GLY A 56 -3.465 -5.702 7.608 1.00 1.87 H new ATOM 0 HA3 GLY A 56 -2.122 -6.818 7.763 1.00 1.87 H new ATOM 774 N ASN A 57 -1.214 -3.775 8.270 1.00 2.35 N ATOM 775 CA ASN A 57 -0.621 -2.862 9.247 1.00 2.72 C ATOM 776 C ASN A 57 -1.701 -2.057 9.969 1.00 3.10 C ATOM 777 O ASN A 57 -1.393 -1.144 10.735 1.00 3.43 O ATOM 778 CB ASN A 57 0.363 -1.893 8.581 1.00 2.82 C ATOM 779 CG ASN A 57 0.942 -2.428 7.291 1.00 3.02 C ATOM 780 OD1 ASN A 57 1.150 -3.631 7.146 1.00 3.67 O ATOM 781 ND2 ASN A 57 1.197 -1.532 6.345 1.00 2.98 N ATOM 0 H ASN A 57 -1.149 -3.465 7.301 1.00 2.35 H new ATOM 0 HA ASN A 57 -0.082 -3.475 9.969 1.00 2.72 H new ATOM 0 HB2 ASN A 57 -0.145 -0.950 8.380 1.00 2.82 H new ATOM 0 HB3 ASN A 57 1.176 -1.676 9.274 1.00 2.82 H new ATOM 0 HD21 ASN A 57 1.583 -1.832 5.450 1.00 2.98 H new ATOM 0 HD22 ASN A 57 1.007 -0.544 6.514 1.00 2.98 H new ATOM 788 N GLY A 58 -2.965 -2.402 9.731 1.00 3.08 N ATOM 789 CA GLY A 58 -4.052 -1.699 10.380 1.00 3.47 C ATOM 790 C GLY A 58 -4.247 -2.151 11.812 1.00 3.73 C ATOM 791 O GLY A 58 -4.725 -1.387 12.650 1.00 4.25 O ATOM 0 H GLY A 58 -3.252 -3.153 9.103 1.00 3.08 H new ATOM 0 HA2 GLY A 58 -3.852 -0.628 10.362 1.00 3.47 H new ATOM 0 HA3 GLY A 58 -4.973 -1.861 9.820 1.00 3.47 H new ATOM 795 N SER A 59 -3.875 -3.397 12.095 1.00 3.40 N ATOM 796 CA SER A 59 -4.015 -3.941 13.439 1.00 3.66 C ATOM 797 C SER A 59 -3.118 -5.160 13.656 1.00 3.33 C ATOM 798 O SER A 59 -2.520 -5.317 14.720 1.00 3.59 O ATOM 799 CB SER A 59 -5.473 -4.315 13.709 1.00 3.82 C ATOM 800 OG SER A 59 -5.597 -5.050 14.915 1.00 3.73 O ATOM 0 H SER A 59 -3.477 -4.044 11.415 1.00 3.40 H new ATOM 0 HA SER A 59 -3.701 -3.167 14.139 1.00 3.66 H new ATOM 0 HB2 SER A 59 -6.079 -3.411 13.767 1.00 3.82 H new ATOM 0 HB3 SER A 59 -5.860 -4.905 12.878 1.00 3.82 H new ATOM 0 HG SER A 59 -6.539 -5.276 15.065 1.00 3.73 H new ATOM 806 N TYR A 60 -3.038 -6.027 12.650 1.00 2.83 N ATOM 807 CA TYR A 60 -2.223 -7.238 12.747 1.00 2.53 C ATOM 808 C TYR A 60 -0.836 -7.028 12.135 1.00 2.41 C ATOM 809 O TYR A 60 -0.521 -5.944 11.647 1.00 2.59 O ATOM 810 CB TYR A 60 -2.924 -8.422 12.062 1.00 2.18 C ATOM 811 CG TYR A 60 -4.353 -8.150 11.646 1.00 2.32 C ATOM 812 CD1 TYR A 60 -4.700 -8.074 10.305 1.00 2.28 C ATOM 813 CD2 TYR A 60 -5.354 -7.974 12.594 1.00 3.04 C ATOM 814 CE1 TYR A 60 -6.003 -7.829 9.917 1.00 2.48 C ATOM 815 CE2 TYR A 60 -6.660 -7.729 12.215 1.00 3.31 C ATOM 816 CZ TYR A 60 -6.979 -7.657 10.875 1.00 2.84 C ATOM 817 OH TYR A 60 -8.278 -7.414 10.493 1.00 3.19 O ATOM 0 H TYR A 60 -3.525 -5.916 11.761 1.00 2.83 H new ATOM 0 HA TYR A 60 -2.099 -7.464 13.806 1.00 2.53 H new ATOM 0 HB2 TYR A 60 -2.350 -8.707 11.180 1.00 2.18 H new ATOM 0 HB3 TYR A 60 -2.912 -9.276 12.739 1.00 2.18 H new ATOM 0 HD1 TYR A 60 -3.938 -8.209 9.551 1.00 2.28 H new ATOM 0 HD2 TYR A 60 -5.107 -8.030 13.644 1.00 3.04 H new ATOM 0 HE1 TYR A 60 -6.256 -7.773 8.868 1.00 2.48 H new ATOM 0 HE2 TYR A 60 -7.427 -7.595 12.964 1.00 3.31 H new ATOM 0 HH TYR A 60 -8.841 -7.318 11.290 1.00 3.19 H new ATOM 827 N PRO A 61 0.018 -8.069 12.162 1.00 2.23 N ATOM 828 CA PRO A 61 1.373 -8.003 11.617 1.00 2.22 C ATOM 829 C PRO A 61 1.430 -8.399 10.145 1.00 1.78 C ATOM 830 O PRO A 61 0.398 -8.599 9.505 1.00 1.46 O ATOM 831 CB PRO A 61 2.102 -9.038 12.465 1.00 2.44 C ATOM 832 CG PRO A 61 1.078 -10.099 12.697 1.00 2.27 C ATOM 833 CD PRO A 61 -0.261 -9.400 12.741 1.00 2.16 C ATOM 0 HA PRO A 61 1.793 -6.998 11.653 1.00 2.22 H new ATOM 0 HB2 PRO A 61 2.977 -9.433 11.948 1.00 2.44 H new ATOM 0 HB3 PRO A 61 2.453 -8.610 13.404 1.00 2.44 H new ATOM 0 HG2 PRO A 61 1.102 -10.842 11.900 1.00 2.27 H new ATOM 0 HG3 PRO A 61 1.271 -10.627 13.631 1.00 2.27 H new ATOM 0 HD2 PRO A 61 -1.013 -9.938 12.163 1.00 2.16 H new ATOM 0 HD3 PRO A 61 -0.638 -9.322 13.761 1.00 2.16 H new ATOM 841 N CYS A 62 2.645 -8.532 9.618 1.00 1.81 N ATOM 842 CA CYS A 62 2.836 -8.929 8.227 1.00 1.43 C ATOM 843 C CYS A 62 2.988 -10.443 8.135 1.00 1.40 C ATOM 844 O CYS A 62 3.515 -11.076 9.050 1.00 1.72 O ATOM 845 CB CYS A 62 4.071 -8.251 7.619 1.00 1.57 C ATOM 846 SG CYS A 62 4.446 -6.595 8.286 1.00 1.74 S ATOM 0 H CYS A 62 3.510 -8.371 10.133 1.00 1.81 H new ATOM 0 HA CYS A 62 1.958 -8.612 7.663 1.00 1.43 H new ATOM 0 HB2 CYS A 62 4.936 -8.895 7.778 1.00 1.57 H new ATOM 0 HB3 CYS A 62 3.929 -8.169 6.541 1.00 1.57 H new ATOM 851 N CYS A 63 2.525 -11.024 7.035 1.00 1.21 N ATOM 852 CA CYS A 63 2.617 -12.466 6.847 1.00 1.50 C ATOM 853 C CYS A 63 4.021 -12.866 6.413 1.00 1.80 C ATOM 854 O CYS A 63 4.708 -13.598 7.121 1.00 2.14 O ATOM 855 CB CYS A 63 1.594 -12.937 5.808 1.00 1.46 C ATOM 856 SG CYS A 63 0.011 -13.552 6.490 1.00 1.56 S ATOM 0 H CYS A 63 2.085 -10.522 6.264 1.00 1.21 H new ATOM 0 HA CYS A 63 2.398 -12.946 7.801 1.00 1.50 H new ATOM 0 HB2 CYS A 63 1.382 -12.110 5.131 1.00 1.46 H new ATOM 0 HB3 CYS A 63 2.046 -13.730 5.211 1.00 1.46 H new ATOM 861 N ASN A 64 4.416 -12.376 5.237 1.00 1.71 N ATOM 862 CA ASN A 64 5.732 -12.645 4.634 1.00 2.01 C ATOM 863 C ASN A 64 5.599 -13.601 3.450 1.00 2.19 C ATOM 864 O ASN A 64 6.553 -13.812 2.701 1.00 2.53 O ATOM 865 CB ASN A 64 6.751 -13.191 5.655 1.00 2.45 C ATOM 866 CG ASN A 64 6.782 -14.711 5.734 1.00 3.01 C ATOM 867 OD1 ASN A 64 6.282 -15.308 6.688 1.00 3.65 O ATOM 868 ND2 ASN A 64 7.380 -15.344 4.731 1.00 3.14 N ATOM 0 H ASN A 64 3.826 -11.772 4.665 1.00 1.71 H new ATOM 0 HA ASN A 64 6.116 -11.689 4.278 1.00 2.01 H new ATOM 0 HB2 ASN A 64 7.745 -12.829 5.392 1.00 2.45 H new ATOM 0 HB3 ASN A 64 6.516 -12.789 6.641 1.00 2.45 H new ATOM 0 HD21 ASN A 64 7.437 -16.362 4.733 1.00 3.14 H new ATOM 0 HD22 ASN A 64 7.782 -14.812 3.959 1.00 3.14 H new ATOM 875 N THR A 65 4.412 -14.174 3.286 1.00 2.06 N ATOM 876 CA THR A 65 4.156 -15.100 2.197 1.00 2.32 C ATOM 877 C THR A 65 3.357 -14.419 1.092 1.00 2.13 C ATOM 878 O THR A 65 2.493 -13.585 1.364 1.00 1.81 O ATOM 879 CB THR A 65 3.400 -16.320 2.724 1.00 2.55 C ATOM 880 OG1 THR A 65 3.359 -17.347 1.749 1.00 2.89 O ATOM 881 CG2 THR A 65 1.974 -16.013 3.133 1.00 2.33 C ATOM 0 H THR A 65 3.612 -14.011 3.897 1.00 2.06 H new ATOM 0 HA THR A 65 5.109 -15.424 1.779 1.00 2.32 H new ATOM 0 HB THR A 65 3.951 -16.640 3.608 1.00 2.55 H new ATOM 0 HG1 THR A 65 2.872 -18.119 2.107 1.00 2.89 H new ATOM 0 HG21 THR A 65 1.496 -16.922 3.497 1.00 2.33 H new ATOM 0 HG22 THR A 65 1.976 -15.263 3.923 1.00 2.33 H new ATOM 0 HG23 THR A 65 1.423 -15.633 2.273 1.00 2.33 H new ATOM 889 N CYS A 66 3.643 -14.778 -0.154 1.00 2.39 N ATOM 890 CA CYS A 66 2.939 -14.194 -1.290 1.00 2.36 C ATOM 891 C CYS A 66 1.748 -15.058 -1.684 1.00 2.68 C ATOM 892 O CYS A 66 1.459 -15.243 -2.866 1.00 2.95 O ATOM 893 CB CYS A 66 3.886 -14.017 -2.480 1.00 2.51 C ATOM 894 SG CYS A 66 5.557 -13.455 -2.019 1.00 3.08 S ATOM 0 H CYS A 66 4.353 -15.467 -0.403 1.00 2.39 H new ATOM 0 HA CYS A 66 2.571 -13.212 -0.994 1.00 2.36 H new ATOM 0 HB2 CYS A 66 3.966 -14.965 -3.012 1.00 2.51 H new ATOM 0 HB3 CYS A 66 3.451 -13.298 -3.174 1.00 2.51 H new ATOM 899 N GLN A 67 1.054 -15.569 -0.675 1.00 2.72 N ATOM 900 CA GLN A 67 -0.119 -16.402 -0.885 1.00 3.05 C ATOM 901 C GLN A 67 -1.315 -15.763 -0.189 1.00 2.87 C ATOM 902 O GLN A 67 -1.569 -16.012 0.987 1.00 2.75 O ATOM 903 CB GLN A 67 0.147 -17.821 -0.354 1.00 3.35 C ATOM 904 CG GLN A 67 -1.094 -18.581 0.102 1.00 3.53 C ATOM 905 CD GLN A 67 -1.099 -18.845 1.597 1.00 3.36 C ATOM 906 OE1 GLN A 67 -1.522 -19.910 2.049 1.00 3.60 O ATOM 907 NE2 GLN A 67 -0.629 -17.874 2.375 1.00 2.97 N ATOM 0 H GLN A 67 1.288 -15.418 0.306 1.00 2.72 H new ATOM 0 HA GLN A 67 -0.338 -16.480 -1.950 1.00 3.05 H new ATOM 0 HB2 GLN A 67 0.642 -18.398 -1.135 1.00 3.35 H new ATOM 0 HB3 GLN A 67 0.842 -17.755 0.483 1.00 3.35 H new ATOM 0 HG2 GLN A 67 -1.984 -18.011 -0.166 1.00 3.53 H new ATOM 0 HG3 GLN A 67 -1.151 -19.530 -0.431 1.00 3.53 H new ATOM 0 HE21 GLN A 67 -0.288 -17.007 1.959 1.00 2.97 H new ATOM 0 HE22 GLN A 67 -0.609 -17.996 3.387 1.00 2.97 H new ATOM 916 N ALA A 68 -2.034 -14.928 -0.923 1.00 2.90 N ATOM 917 CA ALA A 68 -3.188 -14.236 -0.382 1.00 2.83 C ATOM 918 C ALA A 68 -4.448 -15.064 -0.528 1.00 3.22 C ATOM 919 O ALA A 68 -5.171 -14.961 -1.519 1.00 3.49 O ATOM 920 CB ALA A 68 -3.359 -12.891 -1.055 1.00 2.78 C ATOM 0 H ALA A 68 -1.835 -14.714 -1.900 1.00 2.90 H new ATOM 0 HA ALA A 68 -3.014 -14.079 0.683 1.00 2.83 H new ATOM 0 HB1 ALA A 68 -4.229 -12.384 -0.638 1.00 2.78 H new ATOM 0 HB2 ALA A 68 -2.470 -12.284 -0.886 1.00 2.78 H new ATOM 0 HB3 ALA A 68 -3.502 -13.036 -2.126 1.00 2.78 H new ATOM 926 N THR A 69 -4.700 -15.879 0.474 1.00 3.28 N ATOM 927 CA THR A 69 -5.874 -16.737 0.490 1.00 3.65 C ATOM 928 C THR A 69 -7.153 -15.905 0.471 1.00 3.74 C ATOM 929 O THR A 69 -8.213 -16.398 0.086 1.00 4.13 O ATOM 930 CB THR A 69 -5.853 -17.651 1.721 1.00 3.58 C ATOM 931 OG1 THR A 69 -7.169 -17.993 2.125 1.00 3.76 O ATOM 932 CG2 THR A 69 -5.152 -17.032 2.910 1.00 3.07 C ATOM 0 H THR A 69 -4.104 -15.968 1.297 1.00 3.28 H new ATOM 0 HA THR A 69 -5.854 -17.357 -0.406 1.00 3.65 H new ATOM 0 HB THR A 69 -5.299 -18.537 1.410 1.00 3.58 H new ATOM 0 HG1 THR A 69 -7.129 -18.577 2.911 1.00 3.76 H new ATOM 0 HG21 THR A 69 -5.172 -17.729 3.748 1.00 3.07 H new ATOM 0 HG22 THR A 69 -4.118 -16.810 2.647 1.00 3.07 H new ATOM 0 HG23 THR A 69 -5.661 -16.110 3.193 1.00 3.07 H new ATOM 940 N TYR A 70 -7.056 -14.643 0.889 1.00 3.41 N ATOM 941 CA TYR A 70 -8.221 -13.772 0.910 1.00 3.57 C ATOM 942 C TYR A 70 -7.821 -12.303 0.811 1.00 3.36 C ATOM 943 O TYR A 70 -6.835 -11.877 1.405 1.00 2.93 O ATOM 944 CB TYR A 70 -9.045 -14.034 2.181 1.00 3.51 C ATOM 945 CG TYR A 70 -8.747 -13.107 3.346 1.00 3.10 C ATOM 946 CD1 TYR A 70 -9.094 -11.761 3.300 1.00 3.64 C ATOM 947 CD2 TYR A 70 -8.136 -13.586 4.498 1.00 2.56 C ATOM 948 CE1 TYR A 70 -8.839 -10.922 4.367 1.00 3.34 C ATOM 949 CE2 TYR A 70 -7.876 -12.751 5.569 1.00 2.31 C ATOM 950 CZ TYR A 70 -8.230 -11.421 5.498 1.00 2.50 C ATOM 951 OH TYR A 70 -7.976 -10.588 6.563 1.00 2.30 O ATOM 0 H TYR A 70 -6.192 -14.209 1.213 1.00 3.41 H new ATOM 0 HA TYR A 70 -8.835 -13.998 0.038 1.00 3.57 H new ATOM 0 HB2 TYR A 70 -10.103 -13.951 1.933 1.00 3.51 H new ATOM 0 HB3 TYR A 70 -8.873 -15.061 2.501 1.00 3.51 H new ATOM 0 HD1 TYR A 70 -9.571 -11.365 2.415 1.00 3.64 H new ATOM 0 HD2 TYR A 70 -7.859 -14.628 4.558 1.00 2.56 H new ATOM 0 HE1 TYR A 70 -9.116 -9.879 4.315 1.00 3.34 H new ATOM 0 HE2 TYR A 70 -7.398 -13.139 6.456 1.00 2.31 H new ATOM 0 HH TYR A 70 -7.292 -9.934 6.310 1.00 2.30 H new ATOM 961 N THR A 71 -8.609 -11.534 0.067 1.00 3.70 N ATOM 962 CA THR A 71 -8.354 -10.109 -0.100 1.00 3.63 C ATOM 963 C THR A 71 -9.516 -9.299 0.459 1.00 3.88 C ATOM 964 O THR A 71 -10.679 -9.667 0.293 1.00 4.28 O ATOM 965 CB THR A 71 -8.142 -9.767 -1.576 1.00 3.87 C ATOM 966 OG1 THR A 71 -7.013 -10.450 -2.092 1.00 3.68 O ATOM 967 CG2 THR A 71 -7.934 -8.286 -1.819 1.00 3.91 C ATOM 0 H THR A 71 -9.431 -11.875 -0.431 1.00 3.70 H new ATOM 0 HA THR A 71 -7.446 -9.857 0.448 1.00 3.63 H new ATOM 0 HB THR A 71 -9.056 -10.079 -2.082 1.00 3.87 H new ATOM 0 HG1 THR A 71 -6.895 -10.220 -3.037 1.00 3.68 H new ATOM 0 HG21 THR A 71 -7.789 -8.109 -2.885 1.00 3.91 H new ATOM 0 HG22 THR A 71 -8.809 -7.734 -1.475 1.00 3.91 H new ATOM 0 HG23 THR A 71 -7.054 -7.948 -1.272 1.00 3.91 H new ATOM 975 N ASP A 72 -9.196 -8.197 1.124 1.00 3.70 N ATOM 976 CA ASP A 72 -10.218 -7.341 1.708 1.00 3.98 C ATOM 977 C ASP A 72 -10.114 -5.920 1.167 1.00 4.18 C ATOM 978 O ASP A 72 -9.430 -5.670 0.175 1.00 4.14 O ATOM 979 CB ASP A 72 -10.099 -7.335 3.234 1.00 3.73 C ATOM 980 CG ASP A 72 -11.428 -7.592 3.918 1.00 3.97 C ATOM 981 OD1 ASP A 72 -11.673 -6.989 4.984 1.00 3.95 O ATOM 982 OD2 ASP A 72 -12.223 -8.396 3.388 1.00 4.40 O ATOM 0 H ASP A 72 -8.239 -7.876 1.272 1.00 3.70 H new ATOM 0 HA ASP A 72 -11.193 -7.741 1.431 1.00 3.98 H new ATOM 0 HB2 ASP A 72 -9.381 -8.095 3.543 1.00 3.73 H new ATOM 0 HB3 ASP A 72 -9.705 -6.373 3.561 1.00 3.73 H new ATOM 987 N GLY A 73 -10.801 -4.994 1.827 1.00 4.42 N ATOM 988 CA GLY A 73 -10.779 -3.608 1.401 1.00 4.67 C ATOM 989 C GLY A 73 -9.464 -2.910 1.703 1.00 4.38 C ATOM 990 O GLY A 73 -9.322 -1.717 1.436 1.00 4.60 O ATOM 0 H GLY A 73 -11.373 -5.179 2.651 1.00 4.42 H new ATOM 0 HA2 GLY A 73 -10.970 -3.561 0.329 1.00 4.67 H new ATOM 0 HA3 GLY A 73 -11.590 -3.070 1.893 1.00 4.67 H new ATOM 994 N ASP A 74 -8.497 -3.642 2.256 1.00 3.91 N ATOM 995 CA ASP A 74 -7.199 -3.057 2.576 1.00 3.65 C ATOM 996 C ASP A 74 -6.079 -3.750 1.803 1.00 3.25 C ATOM 997 O ASP A 74 -4.900 -3.470 2.020 1.00 2.95 O ATOM 998 CB ASP A 74 -6.934 -3.143 4.081 1.00 3.49 C ATOM 999 CG ASP A 74 -6.755 -1.778 4.716 1.00 3.80 C ATOM 1000 OD1 ASP A 74 -7.476 -0.840 4.319 1.00 3.86 O ATOM 1001 OD2 ASP A 74 -5.894 -1.649 5.612 1.00 4.25 O ATOM 0 H ASP A 74 -8.588 -4.631 2.489 1.00 3.91 H new ATOM 0 HA ASP A 74 -7.219 -2.008 2.279 1.00 3.65 H new ATOM 0 HB2 ASP A 74 -7.763 -3.659 4.564 1.00 3.49 H new ATOM 0 HB3 ASP A 74 -6.040 -3.742 4.256 1.00 3.49 H new ATOM 1006 N GLY A 75 -6.452 -4.657 0.904 1.00 3.30 N ATOM 1007 CA GLY A 75 -5.467 -5.372 0.120 1.00 3.00 C ATOM 1008 C GLY A 75 -5.639 -6.871 0.223 1.00 2.86 C ATOM 1009 O GLY A 75 -6.741 -7.360 0.466 1.00 3.06 O ATOM 0 H GLY A 75 -7.421 -4.908 0.706 1.00 3.30 H new ATOM 0 HA2 GLY A 75 -5.546 -5.069 -0.924 1.00 3.00 H new ATOM 0 HA3 GLY A 75 -4.467 -5.098 0.457 1.00 3.00 H new ATOM 1013 N ASP A 76 -4.548 -7.602 0.044 1.00 2.57 N ATOM 1014 CA ASP A 76 -4.587 -9.056 0.124 1.00 2.52 C ATOM 1015 C ASP A 76 -4.320 -9.518 1.551 1.00 2.14 C ATOM 1016 O ASP A 76 -3.851 -8.744 2.386 1.00 1.89 O ATOM 1017 CB ASP A 76 -3.566 -9.681 -0.836 1.00 2.49 C ATOM 1018 CG ASP A 76 -3.138 -8.736 -1.945 1.00 2.64 C ATOM 1019 OD1 ASP A 76 -2.363 -7.799 -1.661 1.00 2.81 O ATOM 1020 OD2 ASP A 76 -3.578 -8.935 -3.097 1.00 3.00 O ATOM 0 H ASP A 76 -3.627 -7.214 -0.157 1.00 2.57 H new ATOM 0 HA ASP A 76 -5.583 -9.386 -0.170 1.00 2.52 H new ATOM 0 HB2 ASP A 76 -2.687 -9.991 -0.271 1.00 2.49 H new ATOM 0 HB3 ASP A 76 -3.994 -10.581 -1.278 1.00 2.49 H new ATOM 1025 N TRP A 77 -4.635 -10.777 1.832 1.00 2.17 N ATOM 1026 CA TRP A 77 -4.440 -11.329 3.166 1.00 1.87 C ATOM 1027 C TRP A 77 -4.133 -12.819 3.114 1.00 1.99 C ATOM 1028 O TRP A 77 -4.544 -13.520 2.189 1.00 2.40 O ATOM 1029 CB TRP A 77 -5.683 -11.084 4.020 1.00 2.01 C ATOM 1030 CG TRP A 77 -6.119 -9.651 4.038 1.00 2.13 C ATOM 1031 CD1 TRP A 77 -6.928 -9.023 3.132 1.00 2.55 C ATOM 1032 CD2 TRP A 77 -5.768 -8.664 5.010 1.00 1.97 C ATOM 1033 NE1 TRP A 77 -7.101 -7.709 3.486 1.00 2.65 N ATOM 1034 CE2 TRP A 77 -6.400 -7.464 4.634 1.00 2.34 C ATOM 1035 CE3 TRP A 77 -4.981 -8.677 6.164 1.00 1.65 C ATOM 1036 CZ2 TRP A 77 -6.270 -6.293 5.369 1.00 2.44 C ATOM 1037 CZ3 TRP A 77 -4.853 -7.512 6.892 1.00 1.80 C ATOM 1038 CH2 TRP A 77 -5.496 -6.333 6.493 1.00 2.20 C ATOM 0 H TRP A 77 -5.026 -11.433 1.155 1.00 2.17 H new ATOM 0 HA TRP A 77 -3.584 -10.825 3.615 1.00 1.87 H new ATOM 0 HB2 TRP A 77 -6.500 -11.700 3.644 1.00 2.01 H new ATOM 0 HB3 TRP A 77 -5.483 -11.408 5.041 1.00 2.01 H new ATOM 0 HD1 TRP A 77 -7.367 -9.493 2.264 1.00 2.55 H new ATOM 0 HE1 TRP A 77 -7.661 -7.026 2.976 1.00 2.65 H new ATOM 0 HE3 TRP A 77 -4.482 -9.581 6.480 1.00 1.65 H new ATOM 0 HZ2 TRP A 77 -6.764 -5.383 5.062 1.00 2.44 H new ATOM 0 HZ3 TRP A 77 -4.246 -7.509 7.785 1.00 1.80 H new ATOM 0 HH2 TRP A 77 -5.377 -5.438 7.086 1.00 2.20 H new ATOM 1049 N ALA A 78 -3.404 -13.292 4.118 1.00 1.73 N ATOM 1050 CA ALA A 78 -3.033 -14.695 4.197 1.00 1.99 C ATOM 1051 C ALA A 78 -2.941 -15.171 5.641 1.00 1.86 C ATOM 1052 O ALA A 78 -2.775 -14.371 6.564 1.00 1.54 O ATOM 1053 CB ALA A 78 -1.708 -14.925 3.490 1.00 2.07 C ATOM 0 H ALA A 78 -3.059 -12.721 4.889 1.00 1.73 H new ATOM 0 HA ALA A 78 -3.814 -15.273 3.703 1.00 1.99 H new ATOM 0 HB1 ALA A 78 -1.439 -15.979 3.555 1.00 2.07 H new ATOM 0 HB2 ALA A 78 -1.800 -14.638 2.443 1.00 2.07 H new ATOM 0 HB3 ALA A 78 -0.933 -14.323 3.965 1.00 2.07 H new ATOM 1059 N PHE A 79 -3.031 -16.483 5.824 1.00 2.19 N ATOM 1060 CA PHE A 79 -2.936 -17.079 7.149 1.00 2.20 C ATOM 1061 C PHE A 79 -1.558 -17.700 7.334 1.00 2.36 C ATOM 1062 O PHE A 79 -1.252 -18.739 6.750 1.00 2.69 O ATOM 1063 CB PHE A 79 -4.022 -18.139 7.340 1.00 2.49 C ATOM 1064 CG PHE A 79 -4.168 -18.599 8.762 1.00 2.50 C ATOM 1065 CD1 PHE A 79 -3.944 -19.923 9.103 1.00 2.79 C ATOM 1066 CD2 PHE A 79 -4.530 -17.706 9.758 1.00 2.75 C ATOM 1067 CE1 PHE A 79 -4.077 -20.348 10.411 1.00 2.82 C ATOM 1068 CE2 PHE A 79 -4.665 -18.125 11.068 1.00 2.86 C ATOM 1069 CZ PHE A 79 -4.438 -19.448 11.395 1.00 2.65 C ATOM 0 H PHE A 79 -3.170 -17.155 5.069 1.00 2.19 H new ATOM 0 HA PHE A 79 -3.082 -16.300 7.897 1.00 2.20 H new ATOM 0 HB2 PHE A 79 -4.975 -17.737 6.997 1.00 2.49 H new ATOM 0 HB3 PHE A 79 -3.794 -18.999 6.710 1.00 2.49 H new ATOM 0 HD1 PHE A 79 -3.662 -20.631 8.338 1.00 2.79 H new ATOM 0 HD2 PHE A 79 -4.709 -16.671 9.508 1.00 2.75 H new ATOM 0 HE1 PHE A 79 -3.899 -21.383 10.664 1.00 2.82 H new ATOM 0 HE2 PHE A 79 -4.948 -17.419 11.835 1.00 2.86 H new ATOM 0 HZ PHE A 79 -4.543 -19.778 12.418 1.00 2.65 H new ATOM 1079 N GLU A 80 -0.723 -17.048 8.134 1.00 2.20 N ATOM 1080 CA GLU A 80 0.630 -17.532 8.373 1.00 2.46 C ATOM 1081 C GLU A 80 0.965 -17.499 9.860 1.00 2.58 C ATOM 1082 O GLU A 80 0.491 -16.634 10.595 1.00 2.39 O ATOM 1083 CB GLU A 80 1.627 -16.683 7.581 1.00 2.28 C ATOM 1084 CG GLU A 80 3.080 -17.038 7.835 1.00 2.72 C ATOM 1085 CD GLU A 80 3.401 -18.476 7.477 1.00 3.48 C ATOM 1086 OE1 GLU A 80 3.241 -19.355 8.350 1.00 4.33 O ATOM 1087 OE2 GLU A 80 3.812 -18.724 6.324 1.00 3.61 O ATOM 0 H GLU A 80 -0.958 -16.186 8.626 1.00 2.20 H new ATOM 0 HA GLU A 80 0.696 -18.567 8.038 1.00 2.46 H new ATOM 0 HB2 GLU A 80 1.418 -16.793 6.517 1.00 2.28 H new ATOM 0 HB3 GLU A 80 1.472 -15.633 7.829 1.00 2.28 H new ATOM 0 HG2 GLU A 80 3.719 -16.372 7.256 1.00 2.72 H new ATOM 0 HG3 GLU A 80 3.313 -16.869 8.886 1.00 2.72 H new ATOM 1094 N ASN A 81 1.781 -18.454 10.298 1.00 2.97 N ATOM 1095 CA ASN A 81 2.174 -18.539 11.699 1.00 3.21 C ATOM 1096 C ASN A 81 0.945 -18.636 12.599 1.00 3.12 C ATOM 1097 O ASN A 81 0.987 -18.255 13.769 1.00 3.21 O ATOM 1098 CB ASN A 81 3.016 -17.323 12.090 1.00 3.20 C ATOM 1099 CG ASN A 81 4.504 -17.610 12.042 1.00 3.32 C ATOM 1100 OD1 ASN A 81 4.986 -18.556 12.667 1.00 3.84 O ATOM 1101 ND2 ASN A 81 5.241 -16.793 11.299 1.00 3.27 N ATOM 0 H ASN A 81 2.182 -19.179 9.703 1.00 2.97 H new ATOM 0 HA ASN A 81 2.773 -19.440 11.831 1.00 3.21 H new ATOM 0 HB2 ASN A 81 2.787 -16.495 11.419 1.00 3.20 H new ATOM 0 HB3 ASN A 81 2.743 -17.004 13.096 1.00 3.20 H new ATOM 0 HD21 ASN A 81 6.248 -16.937 11.229 1.00 3.27 H new ATOM 0 HD22 ASN A 81 4.800 -16.022 10.798 1.00 3.27 H new ATOM 1108 N GLY A 82 -0.150 -19.146 12.042 1.00 3.00 N ATOM 1109 CA GLY A 82 -1.376 -19.282 12.803 1.00 2.95 C ATOM 1110 C GLY A 82 -1.966 -17.942 13.194 1.00 2.65 C ATOM 1111 O GLY A 82 -2.639 -17.829 14.219 1.00 2.71 O ATOM 0 H GLY A 82 -0.208 -19.467 11.076 1.00 3.00 H new ATOM 0 HA2 GLY A 82 -2.105 -19.839 12.215 1.00 2.95 H new ATOM 0 HA3 GLY A 82 -1.179 -19.865 13.702 1.00 2.95 H new ATOM 1115 N ASN A 83 -1.711 -16.922 12.379 1.00 2.39 N ATOM 1116 CA ASN A 83 -2.223 -15.584 12.654 1.00 2.19 C ATOM 1117 C ASN A 83 -2.706 -14.901 11.379 1.00 1.85 C ATOM 1118 O ASN A 83 -2.203 -15.169 10.288 1.00 1.79 O ATOM 1119 CB ASN A 83 -1.140 -14.731 13.316 1.00 2.34 C ATOM 1120 CG ASN A 83 0.138 -14.682 12.501 1.00 2.57 C ATOM 1121 OD1 ASN A 83 0.130 -14.285 11.336 1.00 3.05 O ATOM 1122 ND2 ASN A 83 1.245 -15.086 13.113 1.00 2.73 N ATOM 0 H ASN A 83 -1.155 -16.996 11.527 1.00 2.39 H new ATOM 0 HA ASN A 83 -3.072 -15.685 13.330 1.00 2.19 H new ATOM 0 HB2 ASN A 83 -1.516 -13.718 13.458 1.00 2.34 H new ATOM 0 HB3 ASN A 83 -0.921 -15.131 14.306 1.00 2.34 H new ATOM 0 HD21 ASN A 83 2.136 -15.075 12.616 1.00 2.73 H new ATOM 0 HD22 ASN A 83 1.205 -15.407 14.080 1.00 2.73 H new ATOM 1129 N TRP A 84 -3.680 -14.008 11.529 1.00 1.74 N ATOM 1130 CA TRP A 84 -4.228 -13.274 10.394 1.00 1.57 C ATOM 1131 C TRP A 84 -3.347 -12.075 10.062 1.00 1.39 C ATOM 1132 O TRP A 84 -3.506 -10.995 10.630 1.00 1.50 O ATOM 1133 CB TRP A 84 -5.654 -12.811 10.697 1.00 1.74 C ATOM 1134 CG TRP A 84 -6.685 -13.870 10.455 1.00 1.87 C ATOM 1135 CD1 TRP A 84 -7.671 -14.266 11.312 1.00 2.02 C ATOM 1136 CD2 TRP A 84 -6.831 -14.671 9.277 1.00 1.99 C ATOM 1137 NE1 TRP A 84 -8.421 -15.264 10.740 1.00 2.19 N ATOM 1138 CE2 TRP A 84 -7.925 -15.531 9.490 1.00 2.21 C ATOM 1139 CE3 TRP A 84 -6.143 -14.745 8.062 1.00 2.02 C ATOM 1140 CZ2 TRP A 84 -8.347 -16.451 8.533 1.00 2.48 C ATOM 1141 CZ3 TRP A 84 -6.562 -15.659 7.114 1.00 2.32 C ATOM 1142 CH2 TRP A 84 -7.655 -16.501 7.354 1.00 2.55 C ATOM 0 H TRP A 84 -4.106 -13.775 12.426 1.00 1.74 H new ATOM 0 HA TRP A 84 -4.252 -13.940 9.532 1.00 1.57 H new ATOM 0 HB2 TRP A 84 -5.711 -12.489 11.737 1.00 1.74 H new ATOM 0 HB3 TRP A 84 -5.885 -11.942 10.081 1.00 1.74 H new ATOM 0 HD1 TRP A 84 -7.837 -13.854 12.297 1.00 2.02 H new ATOM 0 HE1 TRP A 84 -9.217 -15.731 11.174 1.00 2.19 H new ATOM 0 HE3 TRP A 84 -5.299 -14.099 7.868 1.00 2.02 H new ATOM 0 HZ2 TRP A 84 -9.190 -17.101 8.715 1.00 2.48 H new ATOM 0 HZ3 TRP A 84 -6.038 -15.725 6.172 1.00 2.32 H new ATOM 0 HH2 TRP A 84 -7.958 -17.204 6.592 1.00 2.55 H new ATOM 1153 N CYS A 85 -2.413 -12.281 9.142 1.00 1.22 N ATOM 1154 CA CYS A 85 -1.493 -11.229 8.730 1.00 1.07 C ATOM 1155 C CYS A 85 -1.750 -10.816 7.286 1.00 0.96 C ATOM 1156 O CYS A 85 -2.373 -11.552 6.521 1.00 1.12 O ATOM 1157 CB CYS A 85 -0.046 -11.697 8.891 1.00 1.10 C ATOM 1158 SG CYS A 85 0.217 -13.459 8.510 1.00 1.76 S ATOM 0 H CYS A 85 -2.273 -13.172 8.665 1.00 1.22 H new ATOM 0 HA CYS A 85 -1.660 -10.363 9.370 1.00 1.07 H new ATOM 0 HB2 CYS A 85 0.592 -11.097 8.242 1.00 1.10 H new ATOM 0 HB3 CYS A 85 0.273 -11.507 9.916 1.00 1.10 H new ATOM 1163 N GLY A 86 -1.268 -9.634 6.918 1.00 0.88 N ATOM 1164 CA GLY A 86 -1.459 -9.146 5.565 1.00 0.88 C ATOM 1165 C GLY A 86 -0.306 -9.512 4.651 1.00 0.62 C ATOM 1166 O GLY A 86 0.800 -9.788 5.116 1.00 0.70 O ATOM 0 H GLY A 86 -0.749 -9.006 7.532 1.00 0.88 H new ATOM 0 HA2 GLY A 86 -2.384 -9.557 5.161 1.00 0.88 H new ATOM 0 HA3 GLY A 86 -1.573 -8.062 5.585 1.00 0.88 H new ATOM 1170 N ILE A 87 -0.564 -9.517 3.347 1.00 0.82 N ATOM 1171 CA ILE A 87 0.460 -9.854 2.365 1.00 0.78 C ATOM 1172 C ILE A 87 1.412 -8.681 2.141 1.00 0.56 C ATOM 1173 O ILE A 87 0.991 -7.525 2.088 1.00 0.88 O ATOM 1174 CB ILE A 87 -0.183 -10.300 1.021 1.00 1.28 C ATOM 1175 CG1 ILE A 87 0.023 -11.802 0.786 1.00 1.60 C ATOM 1176 CG2 ILE A 87 0.373 -9.512 -0.160 1.00 1.38 C ATOM 1177 CD1 ILE A 87 -0.186 -12.663 2.011 1.00 1.57 C ATOM 0 H ILE A 87 -1.474 -9.291 2.946 1.00 0.82 H new ATOM 0 HA ILE A 87 1.037 -10.690 2.761 1.00 0.78 H new ATOM 0 HB ILE A 87 -1.251 -10.095 1.095 1.00 1.28 H new ATOM 0 HG12 ILE A 87 -0.662 -12.132 0.005 1.00 1.60 H new ATOM 0 HG13 ILE A 87 1.034 -11.963 0.413 1.00 1.60 H new ATOM 0 HG21 ILE A 87 -0.101 -9.853 -1.080 1.00 1.38 H new ATOM 0 HG22 ILE A 87 0.168 -8.451 -0.018 1.00 1.38 H new ATOM 0 HG23 ILE A 87 1.450 -9.668 -0.227 1.00 1.38 H new ATOM 0 HD11 ILE A 87 -0.020 -13.709 1.753 1.00 1.57 H new ATOM 0 HD12 ILE A 87 0.517 -12.365 2.789 1.00 1.57 H new ATOM 0 HD13 ILE A 87 -1.206 -12.537 2.375 1.00 1.57 H new ATOM 1189 N LYS A 88 2.698 -8.992 2.011 1.00 0.36 N ATOM 1190 CA LYS A 88 3.717 -7.972 1.793 1.00 0.34 C ATOM 1191 C LYS A 88 3.536 -7.307 0.434 1.00 0.47 C ATOM 1192 O LYS A 88 3.229 -7.972 -0.556 1.00 0.64 O ATOM 1193 CB LYS A 88 5.116 -8.588 1.882 1.00 0.58 C ATOM 1194 CG LYS A 88 5.313 -9.495 3.085 1.00 0.88 C ATOM 1195 CD LYS A 88 5.137 -8.737 4.390 1.00 1.16 C ATOM 1196 CE LYS A 88 6.178 -9.147 5.420 1.00 1.67 C ATOM 1197 NZ LYS A 88 7.555 -9.132 4.855 1.00 2.25 N ATOM 0 H LYS A 88 3.059 -9.945 2.053 1.00 0.36 H new ATOM 0 HA LYS A 88 3.608 -7.216 2.571 1.00 0.34 H new ATOM 0 HB2 LYS A 88 5.310 -9.158 0.974 1.00 0.58 H new ATOM 0 HB3 LYS A 88 5.854 -7.786 1.919 1.00 0.58 H new ATOM 0 HG2 LYS A 88 4.599 -10.318 3.042 1.00 0.88 H new ATOM 0 HG3 LYS A 88 6.310 -9.935 3.051 1.00 0.88 H new ATOM 0 HD2 LYS A 88 5.212 -7.666 4.202 1.00 1.16 H new ATOM 0 HD3 LYS A 88 4.139 -8.922 4.787 1.00 1.16 H new ATOM 0 HE2 LYS A 88 6.129 -8.472 6.274 1.00 1.67 H new ATOM 0 HE3 LYS A 88 5.948 -10.146 5.790 1.00 1.67 H new ATOM 0 HZ1 LYS A 88 8.228 -8.828 5.588 1.00 2.25 H new ATOM 0 HZ2 LYS A 88 7.807 -10.087 4.529 1.00 2.25 H new ATOM 0 HZ3 LYS A 88 7.594 -8.471 4.053 1.00 2.25 H new ATOM 1211 N ASN A 89 3.736 -5.994 0.388 1.00 0.70 N ATOM 1212 CA ASN A 89 3.602 -5.249 -0.858 1.00 0.92 C ATOM 1213 C ASN A 89 4.547 -5.809 -1.923 1.00 0.90 C ATOM 1214 O ASN A 89 4.324 -5.637 -3.120 1.00 1.10 O ATOM 1215 CB ASN A 89 3.866 -3.755 -0.622 1.00 1.26 C ATOM 1216 CG ASN A 89 5.338 -3.395 -0.686 1.00 1.74 C ATOM 1217 OD1 ASN A 89 5.724 -2.424 -1.336 1.00 2.47 O ATOM 1218 ND2 ASN A 89 6.167 -4.178 -0.010 1.00 2.09 N ATOM 0 H ASN A 89 3.990 -5.426 1.196 1.00 0.70 H new ATOM 0 HA ASN A 89 2.580 -5.360 -1.220 1.00 0.92 H new ATOM 0 HB2 ASN A 89 3.323 -3.174 -1.367 1.00 1.26 H new ATOM 0 HB3 ASN A 89 3.471 -3.472 0.353 1.00 1.26 H new ATOM 0 HD21 ASN A 89 7.169 -3.986 -0.016 1.00 2.09 H new ATOM 0 HD22 ASN A 89 5.803 -4.973 0.516 1.00 2.09 H new ATOM 1225 N SER A 90 5.598 -6.492 -1.478 1.00 0.81 N ATOM 1226 CA SER A 90 6.563 -7.089 -2.392 1.00 0.97 C ATOM 1227 C SER A 90 6.006 -8.379 -2.991 1.00 1.08 C ATOM 1228 O SER A 90 6.495 -8.871 -4.006 1.00 1.22 O ATOM 1229 CB SER A 90 7.877 -7.377 -1.663 1.00 1.23 C ATOM 1230 OG SER A 90 8.701 -8.247 -2.420 1.00 1.32 O ATOM 0 H SER A 90 5.802 -6.645 -0.490 1.00 0.81 H new ATOM 0 HA SER A 90 6.754 -6.382 -3.199 1.00 0.97 H new ATOM 0 HB2 SER A 90 8.405 -6.442 -1.476 1.00 1.23 H new ATOM 0 HB3 SER A 90 7.667 -7.824 -0.691 1.00 1.23 H new ATOM 0 HG SER A 90 9.535 -8.414 -1.933 1.00 1.32 H new ATOM 1236 N CYS A 91 4.975 -8.921 -2.354 1.00 1.20 N ATOM 1237 CA CYS A 91 4.342 -10.146 -2.820 1.00 1.53 C ATOM 1238 C CYS A 91 3.174 -9.836 -3.751 1.00 1.60 C ATOM 1239 O CYS A 91 2.124 -10.474 -3.681 1.00 1.86 O ATOM 1240 CB CYS A 91 3.864 -10.976 -1.629 1.00 1.77 C ATOM 1241 SG CYS A 91 5.196 -11.887 -0.783 1.00 2.82 S ATOM 0 H CYS A 91 4.559 -8.528 -1.510 1.00 1.20 H new ATOM 0 HA CYS A 91 5.079 -10.721 -3.380 1.00 1.53 H new ATOM 0 HB2 CYS A 91 3.376 -10.317 -0.912 1.00 1.77 H new ATOM 0 HB3 CYS A 91 3.112 -11.687 -1.972 1.00 1.77 H new ATOM 1246 N LYS A 92 3.365 -8.850 -4.618 1.00 1.49 N ATOM 1247 CA LYS A 92 2.330 -8.448 -5.561 1.00 1.71 C ATOM 1248 C LYS A 92 2.687 -8.884 -6.975 1.00 1.83 C ATOM 1249 O LYS A 92 2.064 -9.784 -7.539 1.00 2.38 O ATOM 1250 CB LYS A 92 2.140 -6.932 -5.521 1.00 1.76 C ATOM 1251 CG LYS A 92 1.784 -6.395 -4.145 1.00 1.64 C ATOM 1252 CD LYS A 92 1.949 -4.885 -4.081 1.00 1.70 C ATOM 1253 CE LYS A 92 0.871 -4.174 -4.879 1.00 1.82 C ATOM 1254 NZ LYS A 92 0.775 -2.731 -4.523 1.00 2.20 N ATOM 0 H LYS A 92 4.229 -8.313 -4.688 1.00 1.49 H new ATOM 0 HA LYS A 92 1.399 -8.935 -5.271 1.00 1.71 H new ATOM 0 HB2 LYS A 92 3.057 -6.451 -5.862 1.00 1.76 H new ATOM 0 HB3 LYS A 92 1.354 -6.655 -6.223 1.00 1.76 H new ATOM 0 HG2 LYS A 92 0.755 -6.661 -3.904 1.00 1.64 H new ATOM 0 HG3 LYS A 92 2.419 -6.864 -3.394 1.00 1.64 H new ATOM 0 HD2 LYS A 92 1.910 -4.557 -3.042 1.00 1.70 H new ATOM 0 HD3 LYS A 92 2.931 -4.608 -4.466 1.00 1.70 H new ATOM 0 HE2 LYS A 92 1.084 -4.272 -5.944 1.00 1.82 H new ATOM 0 HE3 LYS A 92 -0.090 -4.656 -4.701 1.00 1.82 H new ATOM 0 HZ1 LYS A 92 0.027 -2.283 -5.090 1.00 2.20 H new ATOM 0 HZ2 LYS A 92 0.547 -2.637 -3.513 1.00 2.20 H new ATOM 0 HZ3 LYS A 92 1.684 -2.264 -4.717 1.00 2.20 H new ATOM 1268 N GLN A 93 3.695 -8.235 -7.540 1.00 1.66 N ATOM 1269 CA GLN A 93 4.147 -8.544 -8.889 1.00 1.78 C ATOM 1270 C GLN A 93 5.654 -8.349 -9.014 1.00 2.06 C ATOM 1271 O GLN A 93 6.295 -7.790 -8.124 1.00 2.77 O ATOM 1272 CB GLN A 93 3.420 -7.664 -9.907 1.00 2.05 C ATOM 1273 CG GLN A 93 2.009 -8.135 -10.221 1.00 2.53 C ATOM 1274 CD GLN A 93 1.966 -9.573 -10.698 1.00 3.32 C ATOM 1275 OE1 GLN A 93 2.665 -9.948 -11.639 1.00 3.81 O ATOM 1276 NE2 GLN A 93 1.142 -10.388 -10.050 1.00 3.93 N ATOM 0 H GLN A 93 4.217 -7.488 -7.083 1.00 1.66 H new ATOM 0 HA GLN A 93 3.916 -9.589 -9.093 1.00 1.78 H new ATOM 0 HB2 GLN A 93 3.377 -6.643 -9.527 1.00 2.05 H new ATOM 0 HB3 GLN A 93 3.999 -7.637 -10.830 1.00 2.05 H new ATOM 0 HG2 GLN A 93 1.389 -8.033 -9.330 1.00 2.53 H new ATOM 0 HG3 GLN A 93 1.576 -7.490 -10.985 1.00 2.53 H new ATOM 0 HE21 GLN A 93 0.580 -10.035 -9.275 1.00 3.93 H new ATOM 0 HE22 GLN A 93 1.071 -11.367 -10.327 1.00 3.93 H new ATOM 1285 N GLN A 94 6.211 -8.816 -10.123 1.00 2.20 N ATOM 1286 CA GLN A 94 7.645 -8.699 -10.371 1.00 2.98 C ATOM 1287 C GLN A 94 7.972 -7.409 -11.122 1.00 3.01 C ATOM 1288 O GLN A 94 8.867 -6.664 -10.724 1.00 3.25 O ATOM 1289 CB GLN A 94 8.163 -9.908 -11.159 1.00 3.72 C ATOM 1290 CG GLN A 94 7.470 -11.216 -10.808 1.00 3.97 C ATOM 1291 CD GLN A 94 7.769 -12.319 -11.806 1.00 4.24 C ATOM 1292 OE1 GLN A 94 6.883 -13.084 -12.186 1.00 4.73 O ATOM 1293 NE2 GLN A 94 9.023 -12.406 -12.234 1.00 4.33 N ATOM 0 H GLN A 94 5.692 -9.281 -10.868 1.00 2.20 H new ATOM 0 HA GLN A 94 8.144 -8.671 -9.402 1.00 2.98 H new ATOM 0 HB2 GLN A 94 8.037 -9.716 -12.224 1.00 3.72 H new ATOM 0 HB3 GLN A 94 9.233 -10.015 -10.979 1.00 3.72 H new ATOM 0 HG2 GLN A 94 7.785 -11.535 -9.814 1.00 3.97 H new ATOM 0 HG3 GLN A 94 6.393 -11.052 -10.764 1.00 3.97 H new ATOM 0 HE21 GLN A 94 9.725 -11.750 -11.892 1.00 4.33 H new ATOM 0 HE22 GLN A 94 9.284 -13.129 -12.905 1.00 4.33 H new ATOM 1302 N PRO A 95 7.258 -7.128 -12.228 1.00 3.17 N ATOM 1303 CA PRO A 95 7.482 -5.932 -13.038 1.00 3.35 C ATOM 1304 C PRO A 95 6.773 -4.698 -12.482 1.00 2.35 C ATOM 1305 O PRO A 95 6.196 -3.914 -13.235 1.00 2.40 O ATOM 1306 CB PRO A 95 6.893 -6.312 -14.411 1.00 4.05 C ATOM 1307 CG PRO A 95 6.364 -7.708 -14.266 1.00 4.04 C ATOM 1308 CD PRO A 95 6.188 -7.946 -12.796 1.00 3.69 C ATOM 0 HA PRO A 95 8.537 -5.661 -13.067 1.00 3.35 H new ATOM 0 HB2 PRO A 95 6.099 -5.623 -14.699 1.00 4.05 H new ATOM 0 HB3 PRO A 95 7.655 -6.263 -15.189 1.00 4.05 H new ATOM 0 HG2 PRO A 95 5.417 -7.821 -14.793 1.00 4.04 H new ATOM 0 HG3 PRO A 95 7.056 -8.432 -14.696 1.00 4.04 H new ATOM 0 HD2 PRO A 95 5.204 -7.632 -12.446 1.00 3.69 H new ATOM 0 HD3 PRO A 95 6.297 -8.999 -12.537 1.00 3.69 H new ATOM 1316 N GLN A 96 6.824 -4.524 -11.164 1.00 1.78 N ATOM 1317 CA GLN A 96 6.189 -3.377 -10.525 1.00 1.24 C ATOM 1318 C GLN A 96 7.034 -2.123 -10.722 1.00 1.78 C ATOM 1319 O GLN A 96 8.087 -1.970 -10.104 1.00 2.34 O ATOM 1320 CB GLN A 96 5.985 -3.646 -9.033 1.00 1.45 C ATOM 1321 CG GLN A 96 4.980 -4.749 -8.747 1.00 2.56 C ATOM 1322 CD GLN A 96 3.671 -4.219 -8.194 1.00 3.25 C ATOM 1323 OE1 GLN A 96 3.622 -3.688 -7.084 1.00 3.89 O ATOM 1324 NE2 GLN A 96 2.602 -4.360 -8.968 1.00 3.48 N ATOM 0 H GLN A 96 7.296 -5.160 -10.521 1.00 1.78 H new ATOM 0 HA GLN A 96 5.216 -3.218 -10.989 1.00 1.24 H new ATOM 0 HB2 GLN A 96 6.943 -3.913 -8.586 1.00 1.45 H new ATOM 0 HB3 GLN A 96 5.652 -2.728 -8.549 1.00 1.45 H new ATOM 0 HG2 GLN A 96 4.784 -5.303 -9.665 1.00 2.56 H new ATOM 0 HG3 GLN A 96 5.412 -5.453 -8.036 1.00 2.56 H new ATOM 0 HE21 GLN A 96 2.689 -4.806 -9.881 1.00 3.48 H new ATOM 0 HE22 GLN A 96 1.694 -4.022 -8.650 1.00 3.48 H new ATOM 1333 N ASN A 97 6.570 -1.233 -11.594 1.00 2.46 N ATOM 1334 CA ASN A 97 7.288 0.005 -11.881 1.00 3.36 C ATOM 1335 C ASN A 97 8.591 -0.291 -12.618 1.00 3.62 C ATOM 1336 O ASN A 97 9.380 -1.132 -12.188 1.00 4.14 O ATOM 1337 CB ASN A 97 7.579 0.771 -10.588 1.00 4.09 C ATOM 1338 CG ASN A 97 8.051 2.188 -10.849 1.00 4.83 C ATOM 1339 OD1 ASN A 97 7.293 3.027 -11.337 1.00 5.46 O ATOM 1340 ND2 ASN A 97 9.309 2.463 -10.526 1.00 5.05 N ATOM 0 H ASN A 97 5.700 -1.346 -12.114 1.00 2.46 H new ATOM 0 HA ASN A 97 6.657 0.624 -12.519 1.00 3.36 H new ATOM 0 HB2 ASN A 97 6.678 0.798 -9.975 1.00 4.09 H new ATOM 0 HB3 ASN A 97 8.338 0.238 -10.016 1.00 4.09 H new ATOM 0 HD21 ASN A 97 9.682 3.400 -10.680 1.00 5.05 H new ATOM 0 HD22 ASN A 97 9.903 1.737 -10.124 1.00 5.05 H new ATOM 1347 N ASN A 98 8.807 0.402 -13.732 1.00 3.70 N ATOM 1348 CA ASN A 98 10.013 0.211 -14.534 1.00 4.23 C ATOM 1349 C ASN A 98 11.268 0.252 -13.665 1.00 4.55 C ATOM 1350 O ASN A 98 11.242 0.757 -12.543 1.00 4.66 O ATOM 1351 CB ASN A 98 10.098 1.279 -15.627 1.00 4.75 C ATOM 1352 CG ASN A 98 9.770 0.727 -17.001 1.00 5.89 C ATOM 1353 OD1 ASN A 98 8.789 1.128 -17.626 1.00 6.45 O ATOM 1354 ND2 ASN A 98 10.593 -0.200 -17.478 1.00 6.49 N ATOM 0 H ASN A 98 8.163 1.102 -14.101 1.00 3.70 H new ATOM 0 HA ASN A 98 9.953 -0.773 -14.999 1.00 4.23 H new ATOM 0 HB2 ASN A 98 9.411 2.092 -15.391 1.00 4.75 H new ATOM 0 HB3 ASN A 98 11.102 1.704 -15.639 1.00 4.75 H new ATOM 0 HD21 ASN A 98 10.423 -0.609 -18.397 1.00 6.49 H new ATOM 0 HD22 ASN A 98 11.395 -0.503 -16.925 1.00 6.49 H new ATOM 1361 N ASN A 99 12.364 -0.285 -14.192 1.00 5.07 N ATOM 1362 CA ASN A 99 13.629 -0.313 -13.466 1.00 5.73 C ATOM 1363 C ASN A 99 14.055 1.093 -13.055 1.00 6.71 C ATOM 1364 O ASN A 99 14.744 1.787 -13.803 1.00 7.19 O ATOM 1365 CB ASN A 99 14.719 -0.957 -14.326 1.00 5.88 C ATOM 1366 CG ASN A 99 16.034 -1.096 -13.584 1.00 6.47 C ATOM 1367 OD1 ASN A 99 16.879 -0.202 -13.621 1.00 6.46 O ATOM 1368 ND2 ASN A 99 16.214 -2.224 -12.906 1.00 7.23 N ATOM 0 H ASN A 99 12.402 -0.707 -15.120 1.00 5.07 H new ATOM 0 HA ASN A 99 13.487 -0.907 -12.563 1.00 5.73 H new ATOM 0 HB2 ASN A 99 14.385 -1.941 -14.655 1.00 5.88 H new ATOM 0 HB3 ASN A 99 14.873 -0.357 -15.223 1.00 5.88 H new ATOM 0 HD21 ASN A 99 17.080 -2.375 -12.389 1.00 7.23 H new ATOM 0 HD22 ASN A 99 15.486 -2.939 -12.903 1.00 7.23 H new ATOM 1375 N GLN A 100 13.637 1.504 -11.858 1.00 7.27 N ATOM 1376 CA GLN A 100 13.968 2.828 -11.332 1.00 8.41 C ATOM 1377 C GLN A 100 13.809 3.909 -12.399 1.00 8.97 C ATOM 1378 O GLN A 100 14.447 4.974 -12.261 1.00 9.43 O ATOM 1379 CB GLN A 100 15.397 2.842 -10.782 1.00 9.07 C ATOM 1380 CG GLN A 100 16.444 2.388 -11.786 1.00 9.67 C ATOM 1381 CD GLN A 100 17.860 2.591 -11.284 1.00 10.34 C ATOM 1382 OE1 GLN A 100 18.657 1.654 -11.241 1.00 10.94 O ATOM 1383 NE2 GLN A 100 18.181 3.821 -10.900 1.00 10.40 N ATOM 1384 OXT GLN A 100 13.048 3.681 -13.362 1.00 9.13 O ATOM 0 H GLN A 100 13.066 0.936 -11.232 1.00 7.27 H new ATOM 0 HA GLN A 100 13.271 3.046 -10.523 1.00 8.41 H new ATOM 0 HB2 GLN A 100 15.639 3.852 -10.450 1.00 9.07 H new ATOM 0 HB3 GLN A 100 15.445 2.198 -9.904 1.00 9.07 H new ATOM 0 HG2 GLN A 100 16.291 1.333 -12.013 1.00 9.67 H new ATOM 0 HG3 GLN A 100 16.311 2.937 -12.718 1.00 9.67 H new ATOM 0 HE21 GLN A 100 17.489 4.569 -10.952 1.00 10.40 H new ATOM 0 HE22 GLN A 100 19.120 4.018 -10.553 1.00 10.40 H new TER 1393 GLN A 100