USER MOD reduce.3.24.130724 H: found=0, std=0, add=832, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 840 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: C 39 TYR OH : rot 107:sc= -0.0282 USER MOD Set 1.2: C 50 HIS : no HD1:sc= -0.68 K(o=-0.71,f=-2.2) USER MOD Set 2.1: B 26 GLN :FLIP amide:sc= -0.958 F(o=-6.1!,f=-1.6) USER MOD Set 2.2: B 55 GLN :FLIP amide:sc= -0.636 F(o=-2.4,f=-1.6) USER MOD Set 3.1: B 21 ASN : amide:sc= -3.46! C(o=-3.7!,f=-6.8!) USER MOD Set 3.2: B 52 ASN : amide:sc= -0.241 X(o=-3.7,f=-3.2) USER MOD Set 4.1: A 21 ASN : amide:sc= -0.626 K(o=-0.93,f=-2.2) USER MOD Set 4.2: A 52 ASN :FLIP amide:sc= -0.308 F(o=-2.4,f=-0.93) USER MOD Set 5.1: A 35 HIS : no HD1:sc= -0.054 K(o=-0.11,f=-1.1) USER MOD Set 5.2: B 23 ASN : amide:sc= -0.056 K(o=-0.11,f=-1.1) USER MOD Single : A 18 TYR OH : rot 180:sc= -3.71! USER MOD Single : A 23 ASN : amide:sc= -0.413 K(o=-0.41,f=-2.9!) USER MOD Single : A 26 GLN :FLIP amide:sc= -1.06 F(o=-2.6!,f=-1.1) USER MOD Single : A 32 HIS : no HD1:sc= -0.0146 X(o=-0.015,f=0) USER MOD Single : A 33 SER OG : rot 74:sc= 0.00421 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc= -3.3! C(o=-3.3!,f=-3.5!) USER MOD Single : A 41 SER OG : rot -112:sc= 1.07 USER MOD Single : A 43 ASN :FLIP amide:sc= -0.295 F(o=-2.8!,f=-0.29) USER MOD Single : A 49 LYS NZ :NH3+ -165:sc= -0.0704 (180deg=-0.418) USER MOD Single : A 50 LYS NZ :NH3+ -179:sc= 1.25 (180deg=1.23) USER MOD Single : A 55 GLN : amide:sc= -0.317 K(o=-0.32,f=-1.1) USER MOD Single : A 58 LYS NZ :NH3+ 163:sc= -0.0988 (180deg=-0.439) USER MOD Single : B 18 TYR OH : rot 180:sc= -0.0363 USER MOD Single : B 32 HIS : no HD1:sc= -0.177 X(o=-0.18,f=0) USER MOD Single : B 33 SER OG : rot 74:sc= 0.173 USER MOD Single : B 35 HIS : no HD1:sc= 0 X(o=0,f=-0.019) USER MOD Single : B 39 SER OG : rot 180:sc= 0 USER MOD Single : B 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 41 SER OG : rot -151:sc= 0.904 USER MOD Single : B 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 49 LYS NZ :NH3+ 157:sc= -0.27 (180deg=-0.648) USER MOD Single : B 50 LYS NZ :NH3+ -174:sc= 1.11 (180deg=1.04) USER MOD Single : B 58 LYS NZ :NH3+ 164:sc= -0.0716 (180deg=-0.347) USER MOD Single : C 42 SER OG : rot 180:sc= -0.0573 USER MOD Single : C 43 LYS NZ :NH3+ -167:sc= -0.0306 (180deg=-0.263) USER MOD Single : C 44 THR OG1 : rot 180:sc= -0.0187 USER MOD Single : C 45 LYS NZ :NH3+ 164:sc= 1.22 (180deg=1.19) USER MOD Single : C 54 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 13 -10.373 -2.681 -14.226 1.00 2.62 N ATOM 2 CA ASP A 13 -9.998 -4.034 -13.753 1.00 1.91 C ATOM 3 C ASP A 13 -8.678 -3.977 -13.002 1.00 1.47 C ATOM 4 O ASP A 13 -7.618 -3.821 -13.610 1.00 2.03 O ATOM 5 CB ASP A 13 -9.883 -5.000 -14.935 1.00 2.11 C ATOM 6 CG ASP A 13 -9.594 -6.422 -14.496 1.00 2.62 C ATOM 7 OD1 ASP A 13 -8.407 -6.773 -14.336 1.00 3.14 O ATOM 8 OD2 ASP A 13 -10.559 -7.198 -14.308 1.00 3.19 O ATOM 0 HA ASP A 13 -10.776 -4.394 -13.080 1.00 1.91 H new ATOM 0 HB2 ASP A 13 -10.811 -4.981 -15.507 1.00 2.11 H new ATOM 0 HB3 ASP A 13 -9.090 -4.661 -15.602 1.00 2.11 H new ATOM 15 N GLY A 14 -8.744 -4.104 -11.680 1.00 0.76 N ATOM 16 CA GLY A 14 -7.552 -3.991 -10.862 1.00 0.80 C ATOM 17 C GLY A 14 -6.921 -2.621 -10.984 1.00 0.66 C ATOM 18 O GLY A 14 -5.741 -2.493 -11.307 1.00 0.96 O ATOM 0 H GLY A 14 -9.604 -4.283 -11.161 1.00 0.76 H new ATOM 0 HA2 GLY A 14 -7.806 -4.184 -9.820 1.00 0.80 H new ATOM 0 HA3 GLY A 14 -6.831 -4.752 -11.161 1.00 0.80 H new ATOM 22 N GLU A 15 -7.712 -1.593 -10.718 1.00 0.31 N ATOM 23 CA GLU A 15 -7.286 -0.223 -10.959 1.00 0.18 C ATOM 24 C GLU A 15 -6.709 0.394 -9.695 1.00 0.13 C ATOM 25 O GLU A 15 -7.106 0.051 -8.584 1.00 0.17 O ATOM 26 CB GLU A 15 -8.453 0.599 -11.494 1.00 0.24 C ATOM 27 CG GLU A 15 -9.418 1.085 -10.438 1.00 0.30 C ATOM 28 CD GLU A 15 -10.641 1.741 -11.038 1.00 0.58 C ATOM 29 OE1 GLU A 15 -10.536 2.884 -11.521 1.00 0.94 O ATOM 30 OE2 GLU A 15 -11.717 1.110 -11.033 1.00 1.58 O ATOM 0 H GLU A 15 -8.653 -1.682 -10.335 1.00 0.31 H new ATOM 0 HA GLU A 15 -6.496 -0.227 -11.710 1.00 0.18 H new ATOM 0 HB2 GLU A 15 -8.057 1.462 -12.030 1.00 0.24 H new ATOM 0 HB3 GLU A 15 -9.001 -0.002 -12.219 1.00 0.24 H new ATOM 0 HG2 GLU A 15 -9.727 0.244 -9.817 1.00 0.30 H new ATOM 0 HG3 GLU A 15 -8.911 1.795 -9.785 1.00 0.30 H new ATOM 37 N ILE A 16 -5.769 1.305 -9.875 1.00 0.12 N ATOM 38 CA ILE A 16 -5.005 1.826 -8.760 1.00 0.11 C ATOM 39 C ILE A 16 -5.527 3.168 -8.286 1.00 0.10 C ATOM 40 O ILE A 16 -5.988 3.992 -9.073 1.00 0.14 O ATOM 41 CB ILE A 16 -3.521 2.007 -9.119 1.00 0.12 C ATOM 42 CG1 ILE A 16 -2.981 0.765 -9.821 1.00 0.13 C ATOM 43 CG2 ILE A 16 -2.714 2.294 -7.861 1.00 0.11 C ATOM 44 CD1 ILE A 16 -2.454 -0.268 -8.874 1.00 0.12 C ATOM 0 H ILE A 16 -5.518 1.698 -10.782 1.00 0.12 H new ATOM 0 HA ILE A 16 -5.112 1.087 -7.966 1.00 0.11 H new ATOM 0 HB ILE A 16 -3.429 2.852 -9.801 1.00 0.12 H new ATOM 0 HG12 ILE A 16 -3.774 0.324 -10.425 1.00 0.13 H new ATOM 0 HG13 ILE A 16 -2.186 1.060 -10.506 1.00 0.13 H new ATOM 0 HG21 ILE A 16 -1.664 2.421 -8.124 1.00 0.11 H new ATOM 0 HG22 ILE A 16 -3.084 3.206 -7.392 1.00 0.11 H new ATOM 0 HG23 ILE A 16 -2.816 1.461 -7.165 1.00 0.11 H new ATOM 0 HD11 ILE A 16 -2.086 -1.125 -9.438 1.00 0.12 H new ATOM 0 HD12 ILE A 16 -1.640 0.158 -8.288 1.00 0.12 H new ATOM 0 HD13 ILE A 16 -3.253 -0.590 -8.206 1.00 0.12 H new ATOM 56 N PHE A 17 -5.431 3.363 -6.990 1.00 0.09 N ATOM 57 CA PHE A 17 -5.749 4.621 -6.351 1.00 0.09 C ATOM 58 C PHE A 17 -4.692 4.922 -5.302 1.00 0.07 C ATOM 59 O PHE A 17 -4.615 4.236 -4.293 1.00 0.07 O ATOM 60 CB PHE A 17 -7.131 4.538 -5.706 1.00 0.09 C ATOM 61 CG PHE A 17 -8.245 4.461 -6.708 1.00 0.12 C ATOM 62 CD1 PHE A 17 -8.695 5.605 -7.349 1.00 1.11 C ATOM 63 CD2 PHE A 17 -8.838 3.247 -7.011 1.00 1.24 C ATOM 64 CE1 PHE A 17 -9.720 5.536 -8.273 1.00 1.09 C ATOM 65 CE2 PHE A 17 -9.863 3.176 -7.933 1.00 1.28 C ATOM 66 CZ PHE A 17 -10.305 4.321 -8.565 1.00 0.22 C ATOM 0 H PHE A 17 -5.125 2.640 -6.339 1.00 0.09 H new ATOM 0 HA PHE A 17 -5.761 5.421 -7.091 1.00 0.09 H new ATOM 0 HB2 PHE A 17 -7.171 3.662 -5.059 1.00 0.09 H new ATOM 0 HB3 PHE A 17 -7.282 5.411 -5.071 1.00 0.09 H new ATOM 0 HD1 PHE A 17 -8.240 6.558 -7.124 1.00 1.11 H new ATOM 0 HD2 PHE A 17 -8.495 2.347 -6.521 1.00 1.24 H new ATOM 0 HE1 PHE A 17 -10.063 6.433 -8.767 1.00 1.09 H new ATOM 0 HE2 PHE A 17 -10.319 2.224 -8.160 1.00 1.28 H new ATOM 0 HZ PHE A 17 -11.107 4.266 -9.286 1.00 0.22 H new ATOM 76 N TYR A 18 -3.846 5.906 -5.557 1.00 0.07 N ATOM 77 CA TYR A 18 -2.773 6.225 -4.625 1.00 0.06 C ATOM 78 C TYR A 18 -3.270 7.134 -3.514 1.00 0.07 C ATOM 79 O TYR A 18 -4.091 8.022 -3.745 1.00 0.09 O ATOM 80 CB TYR A 18 -1.598 6.885 -5.337 1.00 0.06 C ATOM 81 CG TYR A 18 -1.099 6.105 -6.525 1.00 0.06 C ATOM 82 CD1 TYR A 18 -0.269 5.000 -6.368 1.00 1.15 C ATOM 83 CD2 TYR A 18 -1.459 6.481 -7.806 1.00 1.19 C ATOM 84 CE1 TYR A 18 0.186 4.293 -7.465 1.00 1.16 C ATOM 85 CE2 TYR A 18 -1.012 5.789 -8.904 1.00 1.20 C ATOM 86 CZ TYR A 18 -0.192 4.698 -8.735 1.00 0.09 C ATOM 87 OH TYR A 18 0.252 4.020 -9.841 1.00 0.10 O ATOM 0 H TYR A 18 -3.878 6.493 -6.391 1.00 0.07 H new ATOM 0 HA TYR A 18 -2.434 5.285 -4.190 1.00 0.06 H new ATOM 0 HB2 TYR A 18 -1.896 7.881 -5.665 1.00 0.06 H new ATOM 0 HB3 TYR A 18 -0.780 7.014 -4.628 1.00 0.06 H new ATOM 0 HD1 TYR A 18 0.024 4.690 -5.376 1.00 1.15 H new ATOM 0 HD2 TYR A 18 -2.104 7.336 -7.945 1.00 1.19 H new ATOM 0 HE1 TYR A 18 0.829 3.435 -7.334 1.00 1.16 H new ATOM 0 HE2 TYR A 18 -1.303 6.100 -9.896 1.00 1.20 H new ATOM 0 HH TYR A 18 -0.111 4.439 -10.649 1.00 0.10 H new ATOM 97 N LEU A 19 -2.767 6.911 -2.309 1.00 0.07 N ATOM 98 CA LEU A 19 -3.111 7.748 -1.174 1.00 0.08 C ATOM 99 C LEU A 19 -1.838 8.290 -0.545 1.00 0.11 C ATOM 100 O LEU A 19 -1.475 7.905 0.564 1.00 0.12 O ATOM 101 CB LEU A 19 -3.887 6.975 -0.102 1.00 0.07 C ATOM 102 CG LEU A 19 -5.199 6.288 -0.515 1.00 0.07 C ATOM 103 CD1 LEU A 19 -6.107 7.233 -1.281 1.00 0.08 C ATOM 104 CD2 LEU A 19 -4.944 5.022 -1.307 1.00 0.08 C ATOM 0 H LEU A 19 -2.117 6.155 -2.094 1.00 0.07 H new ATOM 0 HA LEU A 19 -3.744 8.555 -1.543 1.00 0.08 H new ATOM 0 HB2 LEU A 19 -3.224 6.211 0.305 1.00 0.07 H new ATOM 0 HB3 LEU A 19 -4.113 7.666 0.710 1.00 0.07 H new ATOM 0 HG LEU A 19 -5.712 6.005 0.404 1.00 0.07 H new ATOM 0 HD11 LEU A 19 -7.024 6.713 -1.556 1.00 0.08 H new ATOM 0 HD12 LEU A 19 -6.350 8.091 -0.655 1.00 0.08 H new ATOM 0 HD13 LEU A 19 -5.599 7.575 -2.183 1.00 0.08 H new ATOM 0 HD21 LEU A 19 -5.896 4.566 -1.580 1.00 0.08 H new ATOM 0 HD22 LEU A 19 -4.385 5.265 -2.211 1.00 0.08 H new ATOM 0 HD23 LEU A 19 -4.368 4.323 -0.701 1.00 0.08 H new ATOM 116 N PRO A 20 -1.154 9.215 -1.224 1.00 0.13 N ATOM 117 CA PRO A 20 0.119 9.751 -0.745 1.00 0.16 C ATOM 118 C PRO A 20 -0.082 10.795 0.333 1.00 0.22 C ATOM 119 O PRO A 20 0.864 11.442 0.780 1.00 0.28 O ATOM 120 CB PRO A 20 0.701 10.397 -1.990 1.00 0.16 C ATOM 121 CG PRO A 20 -0.492 10.855 -2.757 1.00 0.16 C ATOM 122 CD PRO A 20 -1.565 9.834 -2.497 1.00 0.13 C ATOM 0 HA PRO A 20 0.754 8.985 -0.299 1.00 0.16 H new ATOM 0 HB2 PRO A 20 1.356 11.231 -1.737 1.00 0.16 H new ATOM 0 HB3 PRO A 20 1.296 9.688 -2.565 1.00 0.16 H new ATOM 0 HG2 PRO A 20 -0.809 11.846 -2.432 1.00 0.16 H new ATOM 0 HG3 PRO A 20 -0.269 10.925 -3.822 1.00 0.16 H new ATOM 0 HD2 PRO A 20 -2.549 10.297 -2.418 1.00 0.13 H new ATOM 0 HD3 PRO A 20 -1.622 9.099 -3.300 1.00 0.13 H new ATOM 130 N ASN A 21 -1.326 10.953 0.748 1.00 0.22 N ATOM 131 CA ASN A 21 -1.676 11.981 1.705 1.00 0.27 C ATOM 132 C ASN A 21 -1.804 11.372 3.074 1.00 0.25 C ATOM 133 O ASN A 21 -1.599 12.025 4.090 1.00 0.31 O ATOM 134 CB ASN A 21 -2.996 12.636 1.312 1.00 0.30 C ATOM 135 CG ASN A 21 -2.881 13.455 0.044 1.00 0.54 C ATOM 136 OD1 ASN A 21 -1.807 13.935 -0.313 1.00 1.15 O ATOM 137 ND2 ASN A 21 -3.994 13.643 -0.633 1.00 0.35 N ATOM 0 H ASN A 21 -2.110 10.380 0.435 1.00 0.22 H new ATOM 0 HA ASN A 21 -0.893 12.739 1.714 1.00 0.27 H new ATOM 0 HB2 ASN A 21 -3.754 11.865 1.175 1.00 0.30 H new ATOM 0 HB3 ASN A 21 -3.336 13.277 2.125 1.00 0.30 H new ATOM 0 HD21 ASN A 21 -3.984 14.203 -1.485 1.00 0.35 H new ATOM 0 HD22 ASN A 21 -4.866 13.228 -0.305 1.00 0.35 H new ATOM 144 N LEU A 22 -2.102 10.095 3.072 1.00 0.18 N ATOM 145 CA LEU A 22 -2.459 9.385 4.281 1.00 0.17 C ATOM 146 C LEU A 22 -1.201 8.902 4.985 1.00 0.20 C ATOM 147 O LEU A 22 -0.199 8.598 4.337 1.00 0.35 O ATOM 148 CB LEU A 22 -3.373 8.214 3.902 1.00 0.14 C ATOM 149 CG LEU A 22 -4.531 8.613 2.988 1.00 0.11 C ATOM 150 CD1 LEU A 22 -5.524 7.480 2.790 1.00 0.09 C ATOM 151 CD2 LEU A 22 -5.221 9.845 3.533 1.00 0.11 C ATOM 0 H LEU A 22 -2.104 9.516 2.232 1.00 0.18 H new ATOM 0 HA LEU A 22 -2.990 10.042 4.970 1.00 0.17 H new ATOM 0 HB2 LEU A 22 -2.779 7.446 3.407 1.00 0.14 H new ATOM 0 HB3 LEU A 22 -3.776 7.769 4.812 1.00 0.14 H new ATOM 0 HG LEU A 22 -4.114 8.841 2.007 1.00 0.11 H new ATOM 0 HD11 LEU A 22 -6.328 7.812 2.133 1.00 0.09 H new ATOM 0 HD12 LEU A 22 -5.017 6.626 2.340 1.00 0.09 H new ATOM 0 HD13 LEU A 22 -5.940 7.188 3.754 1.00 0.09 H new ATOM 0 HD21 LEU A 22 -6.045 10.122 2.875 1.00 0.11 H new ATOM 0 HD22 LEU A 22 -5.608 9.634 4.530 1.00 0.11 H new ATOM 0 HD23 LEU A 22 -4.508 10.668 3.587 1.00 0.11 H new ATOM 163 N ASN A 23 -1.237 8.883 6.309 1.00 0.17 N ATOM 164 CA ASN A 23 -0.117 8.373 7.084 1.00 0.20 C ATOM 165 C ASN A 23 0.039 6.880 6.904 1.00 0.24 C ATOM 166 O ASN A 23 -0.890 6.204 6.462 1.00 0.34 O ATOM 167 CB ASN A 23 -0.290 8.636 8.568 1.00 0.33 C ATOM 168 CG ASN A 23 0.593 9.741 9.060 1.00 0.66 C ATOM 169 OD1 ASN A 23 1.617 10.066 8.458 1.00 1.47 O ATOM 170 ND2 ASN A 23 0.222 10.302 10.174 1.00 0.99 N ATOM 0 H ASN A 23 -2.025 9.213 6.866 1.00 0.17 H new ATOM 0 HA ASN A 23 0.765 8.897 6.715 1.00 0.20 H new ATOM 0 HB2 ASN A 23 -1.331 8.889 8.770 1.00 0.33 H new ATOM 0 HB3 ASN A 23 -0.070 7.724 9.124 1.00 0.33 H new ATOM 0 HD21 ASN A 23 0.788 11.045 10.584 1.00 0.99 H new ATOM 0 HD22 ASN A 23 -0.635 9.999 10.637 1.00 0.99 H new ATOM 177 N PRO A 24 1.204 6.347 7.274 1.00 0.22 N ATOM 178 CA PRO A 24 1.417 4.906 7.379 1.00 0.23 C ATOM 179 C PRO A 24 0.331 4.253 8.226 1.00 0.23 C ATOM 180 O PRO A 24 -0.156 3.171 7.904 1.00 0.23 O ATOM 181 CB PRO A 24 2.770 4.810 8.084 1.00 0.25 C ATOM 182 CG PRO A 24 3.476 6.050 7.684 1.00 0.24 C ATOM 183 CD PRO A 24 2.417 7.110 7.600 1.00 0.22 C ATOM 0 HA PRO A 24 1.390 4.400 6.414 1.00 0.23 H new ATOM 0 HB2 PRO A 24 2.652 4.750 9.166 1.00 0.25 H new ATOM 0 HB3 PRO A 24 3.319 3.921 7.773 1.00 0.25 H new ATOM 0 HG2 PRO A 24 4.241 6.318 8.413 1.00 0.24 H new ATOM 0 HG3 PRO A 24 3.979 5.922 6.726 1.00 0.24 H new ATOM 0 HD2 PRO A 24 2.312 7.650 8.541 1.00 0.22 H new ATOM 0 HD3 PRO A 24 2.647 7.849 6.832 1.00 0.22 H new ATOM 191 N ASP A 25 -0.065 4.946 9.298 1.00 0.22 N ATOM 192 CA ASP A 25 -1.125 4.459 10.178 1.00 0.23 C ATOM 193 C ASP A 25 -2.404 4.242 9.387 1.00 0.24 C ATOM 194 O ASP A 25 -3.029 3.188 9.465 1.00 0.27 O ATOM 195 CB ASP A 25 -1.396 5.461 11.303 1.00 0.28 C ATOM 196 CG ASP A 25 -0.207 5.655 12.216 1.00 0.97 C ATOM 197 OD1 ASP A 25 -0.093 4.913 13.212 1.00 1.67 O ATOM 198 OD2 ASP A 25 0.615 6.559 11.944 1.00 1.66 O ATOM 0 H ASP A 25 0.333 5.843 9.575 1.00 0.22 H new ATOM 0 HA ASP A 25 -0.797 3.514 10.612 1.00 0.23 H new ATOM 0 HB2 ASP A 25 -1.675 6.421 10.868 1.00 0.28 H new ATOM 0 HB3 ASP A 25 -2.247 5.118 11.891 1.00 0.28 H new ATOM 203 N GLN A 26 -2.764 5.252 8.611 1.00 0.23 N ATOM 204 CA GLN A 26 -3.972 5.219 7.797 1.00 0.25 C ATOM 205 C GLN A 26 -3.856 4.161 6.711 1.00 0.25 C ATOM 206 O GLN A 26 -4.736 3.317 6.554 1.00 0.26 O ATOM 207 CB GLN A 26 -4.179 6.575 7.144 1.00 0.26 C ATOM 208 CG GLN A 26 -3.949 7.740 8.083 1.00 0.29 C ATOM 209 CD GLN A 26 -5.072 7.936 9.084 1.00 0.31 C ATOM 210 OE1 GLN A 26 -6.035 8.773 8.736 1.00 0.59 O flip ATOM 211 NE2 GLN A 26 -5.063 7.353 10.168 1.00 0.21 N flip ATOM 0 H GLN A 26 -2.229 6.117 8.527 1.00 0.23 H new ATOM 0 HA GLN A 26 -4.818 4.978 8.441 1.00 0.25 H new ATOM 0 HB2 GLN A 26 -3.504 6.666 6.293 1.00 0.26 H new ATOM 0 HB3 GLN A 26 -5.195 6.629 6.753 1.00 0.26 H new ATOM 0 HG2 GLN A 26 -3.015 7.584 8.622 1.00 0.29 H new ATOM 0 HG3 GLN A 26 -3.831 8.652 7.497 1.00 0.29 H new ATOM 0 HE21 GLN A 26 -4.301 6.715 10.398 1.00 0.21 H new ATOM 0 HE22 GLN A 26 -5.818 7.508 10.837 1.00 0.21 H new ATOM 220 N LEU A 27 -2.759 4.229 5.961 1.00 0.24 N ATOM 221 CA LEU A 27 -2.478 3.258 4.902 1.00 0.25 C ATOM 222 C LEU A 27 -2.548 1.823 5.433 1.00 0.23 C ATOM 223 O LEU A 27 -3.118 0.945 4.789 1.00 0.25 O ATOM 224 CB LEU A 27 -1.100 3.526 4.261 1.00 0.28 C ATOM 225 CG LEU A 27 -1.109 4.286 2.930 1.00 0.15 C ATOM 226 CD1 LEU A 27 -2.451 4.180 2.228 1.00 0.17 C ATOM 227 CD2 LEU A 27 -0.719 5.734 3.128 1.00 0.23 C ATOM 0 H LEU A 27 -2.045 4.950 6.067 1.00 0.24 H new ATOM 0 HA LEU A 27 -3.245 3.375 4.136 1.00 0.25 H new ATOM 0 HB2 LEU A 27 -0.495 4.088 4.972 1.00 0.28 H new ATOM 0 HB3 LEU A 27 -0.602 2.569 4.106 1.00 0.28 H new ATOM 0 HG LEU A 27 -0.365 3.816 2.286 1.00 0.15 H new ATOM 0 HD11 LEU A 27 -2.415 4.732 1.289 1.00 0.17 H new ATOM 0 HD12 LEU A 27 -2.674 3.133 2.025 1.00 0.17 H new ATOM 0 HD13 LEU A 27 -3.229 4.599 2.866 1.00 0.17 H new ATOM 0 HD21 LEU A 27 -0.734 6.249 2.168 1.00 0.23 H new ATOM 0 HD22 LEU A 27 -1.425 6.212 3.807 1.00 0.23 H new ATOM 0 HD23 LEU A 27 0.284 5.786 3.552 1.00 0.23 H new ATOM 239 N CYS A 28 -1.987 1.599 6.614 1.00 0.21 N ATOM 240 CA CYS A 28 -2.030 0.286 7.250 1.00 0.22 C ATOM 241 C CYS A 28 -3.459 -0.083 7.631 1.00 0.21 C ATOM 242 O CYS A 28 -3.927 -1.190 7.353 1.00 0.22 O ATOM 243 CB CYS A 28 -1.146 0.274 8.501 1.00 0.26 C ATOM 244 SG CYS A 28 -0.965 -1.364 9.280 1.00 0.32 S ATOM 0 H CYS A 28 -1.495 2.311 7.154 1.00 0.21 H new ATOM 0 HA CYS A 28 -1.656 -0.448 6.537 1.00 0.22 H new ATOM 0 HB2 CYS A 28 -0.157 0.648 8.236 1.00 0.26 H new ATOM 0 HB3 CYS A 28 -1.563 0.966 9.232 1.00 0.26 H new ATOM 249 N ALA A 29 -4.153 0.866 8.251 1.00 0.21 N ATOM 250 CA ALA A 29 -5.498 0.635 8.755 1.00 0.22 C ATOM 251 C ALA A 29 -6.481 0.328 7.634 1.00 0.17 C ATOM 252 O ALA A 29 -7.440 -0.417 7.841 1.00 0.18 O ATOM 253 CB ALA A 29 -5.977 1.836 9.551 1.00 0.24 C ATOM 0 H ALA A 29 -3.801 1.809 8.416 1.00 0.21 H new ATOM 0 HA ALA A 29 -5.455 -0.238 9.407 1.00 0.22 H new ATOM 0 HB1 ALA A 29 -6.985 1.648 9.922 1.00 0.24 H new ATOM 0 HB2 ALA A 29 -5.306 2.005 10.393 1.00 0.24 H new ATOM 0 HB3 ALA A 29 -5.984 2.718 8.910 1.00 0.24 H new ATOM 259 N PHE A 30 -6.248 0.900 6.453 1.00 0.13 N ATOM 260 CA PHE A 30 -7.142 0.682 5.325 1.00 0.10 C ATOM 261 C PHE A 30 -7.271 -0.811 5.030 1.00 0.09 C ATOM 262 O PHE A 30 -8.360 -1.364 5.147 1.00 0.09 O ATOM 263 CB PHE A 30 -6.636 1.470 4.089 1.00 0.10 C ATOM 264 CG PHE A 30 -7.136 0.991 2.736 1.00 0.07 C ATOM 265 CD1 PHE A 30 -8.347 0.328 2.596 1.00 1.18 C ATOM 266 CD2 PHE A 30 -6.367 1.192 1.596 1.00 1.16 C ATOM 267 CE1 PHE A 30 -8.773 -0.125 1.362 1.00 1.18 C ATOM 268 CE2 PHE A 30 -6.799 0.745 0.365 1.00 1.15 C ATOM 269 CZ PHE A 30 -7.998 0.087 0.249 1.00 0.06 C ATOM 0 H PHE A 30 -5.455 1.511 6.257 1.00 0.13 H new ATOM 0 HA PHE A 30 -8.136 1.053 5.575 1.00 0.10 H new ATOM 0 HB2 PHE A 30 -6.921 2.515 4.209 1.00 0.10 H new ATOM 0 HB3 PHE A 30 -5.547 1.435 4.083 1.00 0.10 H new ATOM 0 HD1 PHE A 30 -8.966 0.163 3.465 1.00 1.18 H new ATOM 0 HD2 PHE A 30 -5.420 1.704 1.675 1.00 1.16 H new ATOM 0 HE1 PHE A 30 -9.715 -0.646 1.273 1.00 1.18 H new ATOM 0 HE2 PHE A 30 -6.191 0.913 -0.512 1.00 1.15 H new ATOM 0 HZ PHE A 30 -8.331 -0.263 -0.717 1.00 0.06 H new ATOM 279 N PHE A 31 -6.161 -1.484 4.759 1.00 0.10 N ATOM 280 CA PHE A 31 -6.225 -2.892 4.383 1.00 0.10 C ATOM 281 C PHE A 31 -6.479 -3.756 5.606 1.00 0.11 C ATOM 282 O PHE A 31 -6.902 -4.899 5.488 1.00 0.12 O ATOM 283 CB PHE A 31 -4.955 -3.364 3.678 1.00 0.11 C ATOM 284 CG PHE A 31 -4.505 -2.483 2.547 1.00 0.11 C ATOM 285 CD1 PHE A 31 -3.720 -1.367 2.787 1.00 0.94 C ATOM 286 CD2 PHE A 31 -4.864 -2.775 1.244 1.00 0.98 C ATOM 287 CE1 PHE A 31 -3.303 -0.560 1.746 1.00 0.94 C ATOM 288 CE2 PHE A 31 -4.448 -1.974 0.198 1.00 0.98 C ATOM 289 CZ PHE A 31 -3.668 -0.864 0.449 1.00 0.12 C ATOM 0 H PHE A 31 -5.221 -1.088 4.791 1.00 0.10 H new ATOM 0 HA PHE A 31 -7.052 -2.994 3.681 1.00 0.10 H new ATOM 0 HB2 PHE A 31 -4.151 -3.431 4.411 1.00 0.11 H new ATOM 0 HB3 PHE A 31 -5.121 -4.370 3.294 1.00 0.11 H new ATOM 0 HD1 PHE A 31 -3.431 -1.125 3.799 1.00 0.94 H new ATOM 0 HD2 PHE A 31 -5.478 -3.640 1.041 1.00 0.98 H new ATOM 0 HE1 PHE A 31 -2.692 0.308 1.946 1.00 0.94 H new ATOM 0 HE2 PHE A 31 -4.733 -2.216 -0.815 1.00 0.98 H new ATOM 0 HZ PHE A 31 -3.344 -0.234 -0.366 1.00 0.12 H new ATOM 299 N HIS A 32 -6.200 -3.204 6.778 1.00 0.11 N ATOM 300 CA HIS A 32 -6.408 -3.920 8.036 1.00 0.12 C ATOM 301 C HIS A 32 -7.881 -4.293 8.175 1.00 0.12 C ATOM 302 O HIS A 32 -8.223 -5.376 8.644 1.00 0.15 O ATOM 303 CB HIS A 32 -5.956 -3.050 9.219 1.00 0.15 C ATOM 304 CG HIS A 32 -5.995 -3.740 10.553 1.00 0.23 C ATOM 305 ND1 HIS A 32 -4.875 -4.267 11.162 1.00 1.09 N ATOM 306 CD2 HIS A 32 -7.023 -3.967 11.406 1.00 1.05 C ATOM 307 CE1 HIS A 32 -5.215 -4.785 12.327 1.00 0.81 C ATOM 308 NE2 HIS A 32 -6.510 -4.617 12.499 1.00 0.65 N ATOM 0 H HIS A 32 -5.828 -2.261 6.888 1.00 0.11 H new ATOM 0 HA HIS A 32 -5.813 -4.833 8.035 1.00 0.12 H new ATOM 0 HB2 HIS A 32 -4.939 -2.706 9.032 1.00 0.15 H new ATOM 0 HB3 HIS A 32 -6.589 -2.164 9.264 1.00 0.15 H new ATOM 0 HD2 HIS A 32 -8.055 -3.688 11.253 1.00 1.05 H new ATOM 0 HE1 HIS A 32 -4.544 -5.266 13.023 1.00 0.81 H new ATOM 0 HE2 HIS A 32 -7.044 -4.921 13.313 1.00 0.65 H new ATOM 317 N SER A 33 -8.739 -3.380 7.757 1.00 0.11 N ATOM 318 CA SER A 33 -10.173 -3.607 7.757 1.00 0.13 C ATOM 319 C SER A 33 -10.538 -4.507 6.590 1.00 0.12 C ATOM 320 O SER A 33 -11.326 -5.446 6.711 1.00 0.14 O ATOM 321 CB SER A 33 -10.914 -2.270 7.642 1.00 0.15 C ATOM 322 OG SER A 33 -10.525 -1.385 8.679 1.00 0.22 O ATOM 0 H SER A 33 -8.462 -2.462 7.409 1.00 0.11 H new ATOM 0 HA SER A 33 -10.465 -4.089 8.690 1.00 0.13 H new ATOM 0 HB2 SER A 33 -10.705 -1.816 6.673 1.00 0.15 H new ATOM 0 HB3 SER A 33 -11.990 -2.441 7.688 1.00 0.15 H new ATOM 0 HG SER A 33 -9.625 -1.043 8.496 1.00 0.22 H new ATOM 328 N VAL A 34 -9.916 -4.198 5.467 1.00 0.10 N ATOM 329 CA VAL A 34 -10.175 -4.855 4.199 1.00 0.11 C ATOM 330 C VAL A 34 -9.863 -6.335 4.240 1.00 0.13 C ATOM 331 O VAL A 34 -10.695 -7.161 3.905 1.00 0.15 O ATOM 332 CB VAL A 34 -9.317 -4.245 3.083 1.00 0.10 C ATOM 333 CG1 VAL A 34 -9.633 -4.891 1.770 1.00 0.13 C ATOM 334 CG2 VAL A 34 -9.513 -2.762 2.975 1.00 0.08 C ATOM 0 H VAL A 34 -9.204 -3.470 5.410 1.00 0.10 H new ATOM 0 HA VAL A 34 -11.238 -4.711 4.004 1.00 0.11 H new ATOM 0 HB VAL A 34 -8.274 -4.430 3.340 1.00 0.10 H new ATOM 0 HG11 VAL A 34 -9.016 -4.447 0.988 1.00 0.13 H new ATOM 0 HG12 VAL A 34 -9.428 -5.960 1.832 1.00 0.13 H new ATOM 0 HG13 VAL A 34 -10.686 -4.737 1.533 1.00 0.13 H new ATOM 0 HG21 VAL A 34 -8.887 -2.370 2.173 1.00 0.08 H new ATOM 0 HG22 VAL A 34 -10.559 -2.548 2.757 1.00 0.08 H new ATOM 0 HG23 VAL A 34 -9.235 -2.289 3.917 1.00 0.08 H new ATOM 344 N HIS A 35 -8.652 -6.661 4.632 1.00 0.14 N ATOM 345 CA HIS A 35 -8.171 -8.032 4.522 1.00 0.17 C ATOM 346 C HIS A 35 -8.933 -8.953 5.463 1.00 0.18 C ATOM 347 O HIS A 35 -9.093 -10.142 5.186 1.00 0.21 O ATOM 348 CB HIS A 35 -6.662 -8.109 4.763 1.00 0.20 C ATOM 349 CG HIS A 35 -6.059 -9.428 4.378 1.00 0.36 C ATOM 350 ND1 HIS A 35 -5.579 -9.693 3.115 1.00 1.40 N ATOM 351 CD2 HIS A 35 -5.869 -10.560 5.093 1.00 0.85 C ATOM 352 CE1 HIS A 35 -5.121 -10.929 3.071 1.00 1.25 C ATOM 353 NE2 HIS A 35 -5.284 -11.479 4.257 1.00 0.55 N ATOM 0 H HIS A 35 -7.980 -6.004 5.029 1.00 0.14 H new ATOM 0 HA HIS A 35 -8.357 -8.373 3.504 1.00 0.17 H new ATOM 0 HB2 HIS A 35 -6.171 -7.316 4.199 1.00 0.20 H new ATOM 0 HB3 HIS A 35 -6.461 -7.921 5.818 1.00 0.20 H new ATOM 0 HD2 HIS A 35 -6.129 -10.713 6.130 1.00 0.85 H new ATOM 0 HE1 HIS A 35 -4.685 -11.410 2.208 1.00 1.25 H new ATOM 0 HE2 HIS A 35 -5.019 -12.430 4.512 1.00 0.55 H new ATOM 362 N ASP A 36 -9.397 -8.399 6.571 1.00 0.17 N ATOM 363 CA ASP A 36 -10.233 -9.146 7.505 1.00 0.18 C ATOM 364 C ASP A 36 -11.539 -9.575 6.850 1.00 0.19 C ATOM 365 O ASP A 36 -12.144 -10.574 7.244 1.00 0.21 O ATOM 366 CB ASP A 36 -10.522 -8.325 8.761 1.00 0.20 C ATOM 367 CG ASP A 36 -9.534 -8.600 9.873 1.00 0.65 C ATOM 368 OD1 ASP A 36 -8.379 -8.142 9.780 1.00 1.51 O ATOM 369 OD2 ASP A 36 -9.913 -9.269 10.855 1.00 1.26 O ATOM 0 H ASP A 36 -9.211 -7.435 6.848 1.00 0.17 H new ATOM 0 HA ASP A 36 -9.681 -10.040 7.794 1.00 0.18 H new ATOM 0 HB2 ASP A 36 -10.497 -7.264 8.511 1.00 0.20 H new ATOM 0 HB3 ASP A 36 -11.530 -8.546 9.112 1.00 0.20 H new ATOM 374 N ASP A 37 -11.954 -8.826 5.837 1.00 0.19 N ATOM 375 CA ASP A 37 -13.237 -9.051 5.177 1.00 0.24 C ATOM 376 C ASP A 37 -13.314 -8.203 3.918 1.00 0.23 C ATOM 377 O ASP A 37 -13.750 -7.057 3.955 1.00 0.25 O ATOM 378 CB ASP A 37 -14.403 -8.699 6.102 1.00 0.31 C ATOM 379 CG ASP A 37 -15.697 -9.356 5.665 1.00 0.53 C ATOM 380 OD1 ASP A 37 -15.965 -10.489 6.117 1.00 1.28 O ATOM 381 OD2 ASP A 37 -16.450 -8.759 4.873 1.00 1.18 O ATOM 0 H ASP A 37 -11.416 -8.050 5.450 1.00 0.19 H new ATOM 0 HA ASP A 37 -13.311 -10.108 4.921 1.00 0.24 H new ATOM 0 HB2 ASP A 37 -14.165 -9.010 7.119 1.00 0.31 H new ATOM 0 HB3 ASP A 37 -14.535 -7.617 6.122 1.00 0.31 H new ATOM 386 N PRO A 38 -12.866 -8.747 2.784 1.00 0.23 N ATOM 387 CA PRO A 38 -12.727 -7.989 1.531 1.00 0.25 C ATOM 388 C PRO A 38 -14.058 -7.505 0.951 1.00 0.29 C ATOM 389 O PRO A 38 -14.084 -6.867 -0.100 1.00 0.34 O ATOM 390 CB PRO A 38 -12.049 -8.988 0.585 1.00 0.28 C ATOM 391 CG PRO A 38 -11.455 -10.012 1.489 1.00 0.28 C ATOM 392 CD PRO A 38 -12.425 -10.138 2.620 1.00 0.26 C ATOM 0 HA PRO A 38 -12.162 -7.070 1.687 1.00 0.25 H new ATOM 0 HB2 PRO A 38 -12.768 -9.434 -0.103 1.00 0.28 H new ATOM 0 HB3 PRO A 38 -11.285 -8.504 -0.023 1.00 0.28 H new ATOM 0 HG2 PRO A 38 -11.323 -10.964 0.974 1.00 0.28 H new ATOM 0 HG3 PRO A 38 -10.472 -9.702 1.844 1.00 0.28 H new ATOM 0 HD2 PRO A 38 -13.253 -10.805 2.378 1.00 0.26 H new ATOM 0 HD3 PRO A 38 -11.954 -10.528 3.522 1.00 0.26 H new ATOM 400 N SER A 39 -15.151 -7.779 1.645 1.00 0.28 N ATOM 401 CA SER A 39 -16.470 -7.350 1.206 1.00 0.33 C ATOM 402 C SER A 39 -16.677 -5.848 1.439 1.00 0.36 C ATOM 403 O SER A 39 -17.639 -5.262 0.944 1.00 0.59 O ATOM 404 CB SER A 39 -17.542 -8.159 1.931 1.00 0.34 C ATOM 405 OG SER A 39 -17.357 -9.549 1.708 1.00 1.19 O ATOM 0 H SER A 39 -15.150 -8.301 2.521 1.00 0.28 H new ATOM 0 HA SER A 39 -16.550 -7.528 0.134 1.00 0.33 H new ATOM 0 HB2 SER A 39 -17.503 -7.949 3.000 1.00 0.34 H new ATOM 0 HB3 SER A 39 -18.530 -7.858 1.583 1.00 0.34 H new ATOM 0 HG SER A 39 -18.052 -10.052 2.182 1.00 1.19 H new ATOM 411 N GLN A 40 -15.774 -5.225 2.194 1.00 0.22 N ATOM 412 CA GLN A 40 -15.851 -3.786 2.448 1.00 0.21 C ATOM 413 C GLN A 40 -14.717 -3.034 1.760 1.00 0.16 C ATOM 414 O GLN A 40 -14.660 -1.815 1.800 1.00 0.16 O ATOM 415 CB GLN A 40 -15.804 -3.504 3.942 1.00 0.23 C ATOM 416 CG GLN A 40 -14.802 -4.369 4.684 1.00 0.21 C ATOM 417 CD GLN A 40 -15.468 -5.303 5.670 1.00 0.67 C ATOM 418 OE1 GLN A 40 -14.904 -5.624 6.712 1.00 1.09 O ATOM 419 NE2 GLN A 40 -16.663 -5.757 5.340 1.00 0.97 N ATOM 0 H GLN A 40 -14.983 -5.691 2.639 1.00 0.22 H new ATOM 0 HA GLN A 40 -16.799 -3.437 2.039 1.00 0.21 H new ATOM 0 HB2 GLN A 40 -15.554 -2.455 4.099 1.00 0.23 H new ATOM 0 HB3 GLN A 40 -16.795 -3.663 4.366 1.00 0.23 H new ATOM 0 HG2 GLN A 40 -14.227 -4.953 3.965 1.00 0.21 H new ATOM 0 HG3 GLN A 40 -14.095 -3.730 5.213 1.00 0.21 H new ATOM 0 HE21 GLN A 40 -17.096 -5.464 4.464 1.00 0.97 H new ATOM 0 HE22 GLN A 40 -17.154 -6.400 5.961 1.00 0.97 H new ATOM 428 N SER A 41 -13.827 -3.793 1.154 1.00 0.15 N ATOM 429 CA SER A 41 -12.678 -3.290 0.417 1.00 0.13 C ATOM 430 C SER A 41 -13.000 -2.055 -0.427 1.00 0.11 C ATOM 431 O SER A 41 -12.323 -1.044 -0.306 1.00 0.11 O ATOM 432 CB SER A 41 -12.142 -4.409 -0.474 1.00 0.18 C ATOM 433 OG SER A 41 -13.100 -4.813 -1.441 1.00 0.82 O ATOM 0 H SER A 41 -13.882 -4.811 1.159 1.00 0.15 H new ATOM 0 HA SER A 41 -11.928 -2.977 1.143 1.00 0.13 H new ATOM 0 HB2 SER A 41 -11.236 -4.071 -0.978 1.00 0.18 H new ATOM 0 HB3 SER A 41 -11.864 -5.264 0.142 1.00 0.18 H new ATOM 0 HG SER A 41 -13.404 -5.723 -1.240 1.00 0.82 H new ATOM 439 N ALA A 42 -14.032 -2.135 -1.264 1.00 0.13 N ATOM 440 CA ALA A 42 -14.409 -1.017 -2.129 1.00 0.13 C ATOM 441 C ALA A 42 -14.775 0.211 -1.304 1.00 0.12 C ATOM 442 O ALA A 42 -14.426 1.337 -1.650 1.00 0.12 O ATOM 443 CB ALA A 42 -15.572 -1.407 -3.025 1.00 0.18 C ATOM 0 H ALA A 42 -14.622 -2.961 -1.362 1.00 0.13 H new ATOM 0 HA ALA A 42 -13.550 -0.770 -2.752 1.00 0.13 H new ATOM 0 HB1 ALA A 42 -15.839 -0.564 -3.662 1.00 0.18 H new ATOM 0 HB2 ALA A 42 -15.284 -2.254 -3.647 1.00 0.18 H new ATOM 0 HB3 ALA A 42 -16.428 -1.683 -2.410 1.00 0.18 H new ATOM 449 N ASN A 43 -15.461 -0.035 -0.200 1.00 0.12 N ATOM 450 CA ASN A 43 -15.866 1.019 0.729 1.00 0.13 C ATOM 451 C ASN A 43 -14.648 1.598 1.405 1.00 0.10 C ATOM 452 O ASN A 43 -14.517 2.802 1.585 1.00 0.11 O ATOM 453 CB ASN A 43 -16.766 0.449 1.822 1.00 0.16 C ATOM 454 CG ASN A 43 -18.000 -0.231 1.286 1.00 0.18 C ATOM 455 OD1 ASN A 43 -17.909 -1.534 1.118 1.00 0.20 O flip ATOM 456 ND2 ASN A 43 -19.027 0.400 1.042 1.00 0.20 N flip ATOM 0 H ASN A 43 -15.755 -0.970 0.082 1.00 0.12 H new ATOM 0 HA ASN A 43 -16.398 1.782 0.161 1.00 0.13 H new ATOM 0 HB2 ASN A 43 -16.196 -0.265 2.417 1.00 0.16 H new ATOM 0 HB3 ASN A 43 -17.066 1.254 2.492 1.00 0.16 H new ATOM 0 HD21 ASN A 43 -19.052 1.409 1.187 1.00 0.20 H new ATOM 0 HD22 ASN A 43 -19.854 -0.086 0.694 1.00 0.20 H new ATOM 463 N LEU A 44 -13.760 0.702 1.769 1.00 0.09 N ATOM 464 CA LEU A 44 -12.600 1.033 2.556 1.00 0.08 C ATOM 465 C LEU A 44 -11.644 1.852 1.723 1.00 0.07 C ATOM 466 O LEU A 44 -11.098 2.866 2.151 1.00 0.08 O ATOM 467 CB LEU A 44 -11.938 -0.257 3.021 1.00 0.08 C ATOM 468 CG LEU A 44 -12.237 -0.675 4.455 1.00 0.10 C ATOM 469 CD1 LEU A 44 -13.470 0.022 5.004 1.00 0.12 C ATOM 470 CD2 LEU A 44 -12.424 -2.169 4.494 1.00 0.12 C ATOM 0 H LEU A 44 -13.825 -0.286 1.524 1.00 0.09 H new ATOM 0 HA LEU A 44 -12.889 1.620 3.428 1.00 0.08 H new ATOM 0 HB2 LEU A 44 -12.248 -1.063 2.355 1.00 0.08 H new ATOM 0 HB3 LEU A 44 -10.859 -0.150 2.911 1.00 0.08 H new ATOM 0 HG LEU A 44 -11.397 -0.381 5.084 1.00 0.10 H new ATOM 0 HD11 LEU A 44 -13.647 -0.305 6.029 1.00 0.12 H new ATOM 0 HD12 LEU A 44 -13.315 1.101 4.989 1.00 0.12 H new ATOM 0 HD13 LEU A 44 -14.334 -0.229 4.389 1.00 0.12 H new ATOM 0 HD21 LEU A 44 -12.639 -2.482 5.516 1.00 0.12 H new ATOM 0 HD22 LEU A 44 -13.255 -2.449 3.846 1.00 0.12 H new ATOM 0 HD23 LEU A 44 -11.514 -2.659 4.148 1.00 0.12 H new ATOM 482 N LEU A 45 -11.474 1.366 0.520 1.00 0.07 N ATOM 483 CA LEU A 45 -10.710 2.012 -0.517 1.00 0.07 C ATOM 484 C LEU A 45 -11.304 3.400 -0.767 1.00 0.07 C ATOM 485 O LEU A 45 -10.588 4.388 -0.872 1.00 0.08 O ATOM 486 CB LEU A 45 -10.839 1.099 -1.729 1.00 0.07 C ATOM 487 CG LEU A 45 -9.972 1.353 -2.963 1.00 0.08 C ATOM 488 CD1 LEU A 45 -10.851 1.232 -4.177 1.00 0.08 C ATOM 489 CD2 LEU A 45 -9.235 2.688 -2.932 1.00 0.08 C ATOM 0 H LEU A 45 -11.878 0.477 0.225 1.00 0.07 H new ATOM 0 HA LEU A 45 -9.660 2.159 -0.266 1.00 0.07 H new ATOM 0 HB2 LEU A 45 -10.638 0.082 -1.393 1.00 0.07 H new ATOM 0 HB3 LEU A 45 -11.880 1.129 -2.050 1.00 0.07 H new ATOM 0 HG LEU A 45 -9.178 0.606 -2.987 1.00 0.08 H new ATOM 0 HD11 LEU A 45 -10.258 1.409 -5.074 1.00 0.08 H new ATOM 0 HD12 LEU A 45 -11.280 0.231 -4.217 1.00 0.08 H new ATOM 0 HD13 LEU A 45 -11.652 1.969 -4.121 1.00 0.08 H new ATOM 0 HD21 LEU A 45 -8.641 2.797 -3.840 1.00 0.08 H new ATOM 0 HD22 LEU A 45 -9.958 3.501 -2.871 1.00 0.08 H new ATOM 0 HD23 LEU A 45 -8.578 2.721 -2.063 1.00 0.08 H new ATOM 501 N ALA A 46 -12.624 3.457 -0.843 1.00 0.08 N ATOM 502 CA ALA A 46 -13.348 4.712 -0.966 1.00 0.09 C ATOM 503 C ALA A 46 -12.999 5.687 0.150 1.00 0.09 C ATOM 504 O ALA A 46 -12.681 6.830 -0.116 1.00 0.11 O ATOM 505 CB ALA A 46 -14.825 4.429 -0.948 1.00 0.10 C ATOM 0 H ALA A 46 -13.225 2.633 -0.821 1.00 0.08 H new ATOM 0 HA ALA A 46 -13.059 5.178 -1.908 1.00 0.09 H new ATOM 0 HB1 ALA A 46 -15.376 5.365 -1.040 1.00 0.10 H new ATOM 0 HB2 ALA A 46 -15.080 3.774 -1.781 1.00 0.10 H new ATOM 0 HB3 ALA A 46 -15.091 3.942 -0.010 1.00 0.10 H new ATOM 511 N GLU A 47 -13.057 5.224 1.393 1.00 0.09 N ATOM 512 CA GLU A 47 -12.745 6.036 2.549 1.00 0.10 C ATOM 513 C GLU A 47 -11.275 6.392 2.554 1.00 0.09 C ATOM 514 O GLU A 47 -10.882 7.386 3.137 1.00 0.09 O ATOM 515 CB GLU A 47 -13.137 5.315 3.835 1.00 0.11 C ATOM 516 CG GLU A 47 -14.581 4.851 3.829 1.00 0.16 C ATOM 517 CD GLU A 47 -15.191 4.822 5.210 1.00 0.31 C ATOM 518 OE1 GLU A 47 -15.695 5.873 5.658 1.00 1.19 O ATOM 519 OE2 GLU A 47 -15.193 3.750 5.847 1.00 1.13 O ATOM 0 H GLU A 47 -13.324 4.267 1.622 1.00 0.09 H new ATOM 0 HA GLU A 47 -13.322 6.959 2.494 1.00 0.10 H new ATOM 0 HB2 GLU A 47 -12.484 4.454 3.978 1.00 0.11 H new ATOM 0 HB3 GLU A 47 -12.977 5.981 4.683 1.00 0.11 H new ATOM 0 HG2 GLU A 47 -15.168 5.512 3.191 1.00 0.16 H new ATOM 0 HG3 GLU A 47 -14.636 3.854 3.391 1.00 0.16 H new ATOM 526 N ALA A 48 -10.471 5.553 1.924 1.00 0.08 N ATOM 527 CA ALA A 48 -9.072 5.860 1.684 1.00 0.08 C ATOM 528 C ALA A 48 -8.956 7.008 0.681 1.00 0.08 C ATOM 529 O ALA A 48 -8.194 7.952 0.885 1.00 0.08 O ATOM 530 CB ALA A 48 -8.356 4.623 1.170 1.00 0.08 C ATOM 0 H ALA A 48 -10.767 4.645 1.566 1.00 0.08 H new ATOM 0 HA ALA A 48 -8.603 6.170 2.618 1.00 0.08 H new ATOM 0 HB1 ALA A 48 -7.307 4.858 0.991 1.00 0.08 H new ATOM 0 HB2 ALA A 48 -8.429 3.827 1.911 1.00 0.08 H new ATOM 0 HB3 ALA A 48 -8.818 4.296 0.239 1.00 0.08 H new ATOM 536 N LYS A 49 -9.757 6.931 -0.378 1.00 0.08 N ATOM 537 CA LYS A 49 -9.787 7.949 -1.431 1.00 0.09 C ATOM 538 C LYS A 49 -10.324 9.236 -0.842 1.00 0.10 C ATOM 539 O LYS A 49 -9.806 10.332 -1.048 1.00 0.13 O ATOM 540 CB LYS A 49 -10.721 7.496 -2.556 1.00 0.09 C ATOM 541 CG LYS A 49 -10.256 6.282 -3.329 1.00 0.09 C ATOM 542 CD LYS A 49 -11.455 5.449 -3.747 1.00 0.09 C ATOM 543 CE LYS A 49 -11.197 4.688 -5.022 1.00 0.10 C ATOM 544 NZ LYS A 49 -12.429 4.042 -5.546 1.00 0.71 N ATOM 0 H LYS A 49 -10.406 6.160 -0.533 1.00 0.08 H new ATOM 0 HA LYS A 49 -8.783 8.099 -1.828 1.00 0.09 H new ATOM 0 HB2 LYS A 49 -11.701 7.282 -2.129 1.00 0.09 H new ATOM 0 HB3 LYS A 49 -10.851 8.323 -3.254 1.00 0.09 H new ATOM 0 HG2 LYS A 49 -9.693 6.593 -4.209 1.00 0.09 H new ATOM 0 HG3 LYS A 49 -9.582 5.684 -2.715 1.00 0.09 H new ATOM 0 HD2 LYS A 49 -11.705 4.748 -2.951 1.00 0.09 H new ATOM 0 HD3 LYS A 49 -12.319 6.100 -3.882 1.00 0.09 H new ATOM 0 HE2 LYS A 49 -10.796 5.367 -5.774 1.00 0.10 H new ATOM 0 HE3 LYS A 49 -10.437 3.927 -4.842 1.00 0.10 H new ATOM 0 HZ1 LYS A 49 -12.172 3.333 -6.262 1.00 0.71 H new ATOM 0 HZ2 LYS A 49 -12.936 3.577 -4.766 1.00 0.71 H new ATOM 0 HZ3 LYS A 49 -13.043 4.763 -5.977 1.00 0.71 H new ATOM 558 N LYS A 50 -11.382 9.037 -0.101 1.00 0.11 N ATOM 559 CA LYS A 50 -12.084 10.058 0.628 1.00 0.12 C ATOM 560 C LYS A 50 -11.193 10.677 1.692 1.00 0.12 C ATOM 561 O LYS A 50 -11.232 11.873 1.915 1.00 0.15 O ATOM 562 CB LYS A 50 -13.312 9.389 1.227 1.00 0.14 C ATOM 563 CG LYS A 50 -13.762 9.970 2.546 1.00 0.17 C ATOM 564 CD LYS A 50 -14.858 9.124 3.174 1.00 0.27 C ATOM 565 CE LYS A 50 -14.933 9.332 4.673 1.00 1.06 C ATOM 566 NZ LYS A 50 -15.994 8.495 5.297 1.00 1.19 N ATOM 0 H LYS A 50 -11.797 8.113 0.016 1.00 0.11 H new ATOM 0 HA LYS A 50 -12.380 10.881 -0.022 1.00 0.12 H new ATOM 0 HB2 LYS A 50 -14.133 9.461 0.514 1.00 0.14 H new ATOM 0 HB3 LYS A 50 -13.101 8.328 1.365 1.00 0.14 H new ATOM 0 HG2 LYS A 50 -12.913 10.034 3.227 1.00 0.17 H new ATOM 0 HG3 LYS A 50 -14.126 10.986 2.394 1.00 0.17 H new ATOM 0 HD2 LYS A 50 -15.817 9.377 2.723 1.00 0.27 H new ATOM 0 HD3 LYS A 50 -14.673 8.071 2.961 1.00 0.27 H new ATOM 0 HE2 LYS A 50 -13.969 9.091 5.122 1.00 1.06 H new ATOM 0 HE3 LYS A 50 -15.129 10.383 4.884 1.00 1.06 H new ATOM 0 HZ1 LYS A 50 -16.024 8.679 6.320 1.00 1.19 H new ATOM 0 HZ2 LYS A 50 -16.915 8.731 4.875 1.00 1.19 H new ATOM 0 HZ3 LYS A 50 -15.785 7.490 5.132 1.00 1.19 H new ATOM 580 N LEU A 51 -10.397 9.848 2.342 1.00 0.11 N ATOM 581 CA LEU A 51 -9.423 10.308 3.326 1.00 0.12 C ATOM 582 C LEU A 51 -8.349 11.131 2.669 1.00 0.12 C ATOM 583 O LEU A 51 -8.009 12.224 3.116 1.00 0.13 O ATOM 584 CB LEU A 51 -8.768 9.121 3.984 1.00 0.11 C ATOM 585 CG LEU A 51 -8.011 9.421 5.260 1.00 0.12 C ATOM 586 CD1 LEU A 51 -8.894 10.184 6.226 1.00 0.15 C ATOM 587 CD2 LEU A 51 -7.512 8.118 5.851 1.00 0.12 C ATOM 0 H LEU A 51 -10.404 8.837 2.206 1.00 0.11 H new ATOM 0 HA LEU A 51 -9.949 10.915 4.063 1.00 0.12 H new ATOM 0 HB2 LEU A 51 -9.536 8.379 4.203 1.00 0.11 H new ATOM 0 HB3 LEU A 51 -8.080 8.666 3.272 1.00 0.11 H new ATOM 0 HG LEU A 51 -7.150 10.055 5.049 1.00 0.12 H new ATOM 0 HD11 LEU A 51 -8.338 10.394 7.140 1.00 0.15 H new ATOM 0 HD12 LEU A 51 -9.208 11.122 5.769 1.00 0.15 H new ATOM 0 HD13 LEU A 51 -9.773 9.586 6.466 1.00 0.15 H new ATOM 0 HD21 LEU A 51 -6.965 8.322 6.771 1.00 0.12 H new ATOM 0 HD22 LEU A 51 -8.360 7.469 6.069 1.00 0.12 H new ATOM 0 HD23 LEU A 51 -6.852 7.624 5.138 1.00 0.12 H new ATOM 599 N ASN A 52 -7.813 10.564 1.610 1.00 0.11 N ATOM 600 CA ASN A 52 -6.831 11.227 0.762 1.00 0.11 C ATOM 601 C ASN A 52 -7.322 12.611 0.402 1.00 0.13 C ATOM 602 O ASN A 52 -6.564 13.563 0.376 1.00 0.15 O ATOM 603 CB ASN A 52 -6.623 10.385 -0.498 1.00 0.12 C ATOM 604 CG ASN A 52 -6.131 11.164 -1.698 1.00 0.16 C ATOM 605 OD1 ASN A 52 -4.830 11.227 -1.858 1.00 0.20 O flip ATOM 606 ND2 ASN A 52 -6.918 11.696 -2.477 1.00 0.19 N flip ATOM 0 H ASN A 52 -8.046 9.619 1.305 1.00 0.11 H new ATOM 0 HA ASN A 52 -5.882 11.326 1.290 1.00 0.11 H new ATOM 0 HB2 ASN A 52 -5.908 9.593 -0.277 1.00 0.12 H new ATOM 0 HB3 ASN A 52 -7.565 9.901 -0.756 1.00 0.12 H new ATOM 0 HD21 ASN A 52 -7.923 11.623 -2.316 1.00 0.19 H new ATOM 0 HD22 ASN A 52 -6.567 12.211 -3.285 1.00 0.19 H new ATOM 613 N ASP A 53 -8.609 12.682 0.169 1.00 0.14 N ATOM 614 CA ASP A 53 -9.294 13.913 -0.191 1.00 0.17 C ATOM 615 C ASP A 53 -9.556 14.764 1.042 1.00 0.19 C ATOM 616 O ASP A 53 -9.409 15.988 1.022 1.00 0.22 O ATOM 617 CB ASP A 53 -10.611 13.578 -0.901 1.00 0.17 C ATOM 618 CG ASP A 53 -11.411 14.811 -1.261 1.00 0.71 C ATOM 619 OD1 ASP A 53 -11.132 15.419 -2.314 1.00 1.53 O ATOM 620 OD2 ASP A 53 -12.327 15.178 -0.490 1.00 1.34 O ATOM 0 H ASP A 53 -9.228 11.873 0.224 1.00 0.14 H new ATOM 0 HA ASP A 53 -8.659 14.486 -0.866 1.00 0.17 H new ATOM 0 HB2 ASP A 53 -10.396 13.012 -1.807 1.00 0.17 H new ATOM 0 HB3 ASP A 53 -11.212 12.935 -0.258 1.00 0.17 H new ATOM 625 N ALA A 54 -9.911 14.086 2.120 1.00 0.18 N ATOM 626 CA ALA A 54 -10.379 14.721 3.333 1.00 0.21 C ATOM 627 C ALA A 54 -9.296 15.556 3.950 1.00 0.24 C ATOM 628 O ALA A 54 -9.535 16.669 4.417 1.00 0.28 O ATOM 629 CB ALA A 54 -10.818 13.663 4.328 1.00 0.20 C ATOM 0 H ALA A 54 -9.881 13.068 2.175 1.00 0.18 H new ATOM 0 HA ALA A 54 -11.220 15.366 3.079 1.00 0.21 H new ATOM 0 HB1 ALA A 54 -11.170 14.145 5.240 1.00 0.20 H new ATOM 0 HB2 ALA A 54 -11.625 13.070 3.897 1.00 0.20 H new ATOM 0 HB3 ALA A 54 -9.975 13.013 4.563 1.00 0.20 H new ATOM 635 N GLN A 55 -8.102 15.007 3.955 1.00 0.22 N ATOM 636 CA GLN A 55 -7.000 15.682 4.615 1.00 0.25 C ATOM 637 C GLN A 55 -5.991 16.259 3.630 1.00 0.25 C ATOM 638 O GLN A 55 -5.318 17.231 3.965 1.00 0.28 O ATOM 639 CB GLN A 55 -6.302 14.702 5.542 1.00 0.25 C ATOM 640 CG GLN A 55 -5.922 13.416 4.846 1.00 0.20 C ATOM 641 CD GLN A 55 -4.851 12.659 5.592 1.00 0.19 C ATOM 642 OE1 GLN A 55 -3.668 12.927 5.430 1.00 0.22 O ATOM 643 NE2 GLN A 55 -5.255 11.689 6.386 1.00 0.17 N ATOM 0 H GLN A 55 -7.868 14.114 3.520 1.00 0.22 H new ATOM 0 HA GLN A 55 -7.415 16.519 5.177 1.00 0.25 H new ATOM 0 HB2 GLN A 55 -5.406 15.169 5.950 1.00 0.25 H new ATOM 0 HB3 GLN A 55 -6.955 14.476 6.385 1.00 0.25 H new ATOM 0 HG2 GLN A 55 -6.805 12.786 4.743 1.00 0.20 H new ATOM 0 HG3 GLN A 55 -5.571 13.640 3.839 1.00 0.20 H new ATOM 0 HE21 GLN A 55 -6.251 11.499 6.493 1.00 0.17 H new ATOM 0 HE22 GLN A 55 -4.571 11.128 6.894 1.00 0.17 H new ATOM 652 N ALA A 56 -5.934 15.665 2.425 1.00 0.24 N ATOM 653 CA ALA A 56 -5.003 16.037 1.337 1.00 0.25 C ATOM 654 C ALA A 56 -4.090 17.227 1.634 1.00 0.31 C ATOM 655 O ALA A 56 -4.344 18.344 1.186 1.00 0.35 O ATOM 656 CB ALA A 56 -5.782 16.291 0.061 1.00 0.26 C ATOM 0 H ALA A 56 -6.549 14.892 2.171 1.00 0.24 H new ATOM 0 HA ALA A 56 -4.333 15.184 1.229 1.00 0.25 H new ATOM 0 HB1 ALA A 56 -5.093 16.565 -0.738 1.00 0.26 H new ATOM 0 HB2 ALA A 56 -6.324 15.388 -0.221 1.00 0.26 H new ATOM 0 HB3 ALA A 56 -6.491 17.103 0.223 1.00 0.26 H new ATOM 662 N PRO A 57 -3.024 16.999 2.410 1.00 0.35 N ATOM 663 CA PRO A 57 -1.972 17.995 2.634 1.00 0.42 C ATOM 664 C PRO A 57 -1.141 18.226 1.374 1.00 0.58 C ATOM 665 O PRO A 57 -0.169 17.512 1.121 1.00 0.80 O ATOM 666 CB PRO A 57 -1.108 17.353 3.726 1.00 0.47 C ATOM 667 CG PRO A 57 -1.346 15.888 3.575 1.00 0.46 C ATOM 668 CD PRO A 57 -2.783 15.765 3.168 1.00 0.39 C ATOM 0 HA PRO A 57 -2.374 18.971 2.908 1.00 0.42 H new ATOM 0 HB2 PRO A 57 -0.054 17.600 3.595 1.00 0.47 H new ATOM 0 HB3 PRO A 57 -1.397 17.702 4.717 1.00 0.47 H new ATOM 0 HG2 PRO A 57 -0.685 15.457 2.823 1.00 0.46 H new ATOM 0 HG3 PRO A 57 -1.154 15.359 4.509 1.00 0.46 H new ATOM 0 HD2 PRO A 57 -2.954 14.878 2.558 1.00 0.39 H new ATOM 0 HD3 PRO A 57 -3.441 15.689 4.033 1.00 0.39 H new ATOM 676 N LYS A 58 -1.528 19.216 0.586 1.00 0.81 N ATOM 677 CA LYS A 58 -0.807 19.551 -0.633 1.00 1.03 C ATOM 678 C LYS A 58 -1.210 20.934 -1.130 1.00 1.48 C ATOM 679 O LYS A 58 -0.505 21.909 -0.795 1.00 1.97 O ATOM 680 CB LYS A 58 -1.033 18.488 -1.723 1.00 1.60 C ATOM 681 CG LYS A 58 -2.485 18.079 -1.918 1.00 2.34 C ATOM 682 CD LYS A 58 -2.644 17.158 -3.117 1.00 3.15 C ATOM 683 CE LYS A 58 -4.101 16.789 -3.353 1.00 3.80 C ATOM 684 NZ LYS A 58 -4.965 17.991 -3.497 1.00 4.55 N ATOM 685 OXT LYS A 58 -2.234 21.050 -1.832 1.00 2.24 O ATOM 0 H LYS A 58 -2.341 19.804 0.769 1.00 0.81 H new ATOM 0 HA LYS A 58 0.258 19.567 -0.402 1.00 1.03 H new ATOM 0 HB2 LYS A 58 -0.646 18.868 -2.668 1.00 1.60 H new ATOM 0 HB3 LYS A 58 -0.450 17.601 -1.474 1.00 1.60 H new ATOM 0 HG2 LYS A 58 -2.847 17.577 -1.021 1.00 2.34 H new ATOM 0 HG3 LYS A 58 -3.100 18.968 -2.056 1.00 2.34 H new ATOM 0 HD2 LYS A 58 -2.243 17.645 -4.006 1.00 3.15 H new ATOM 0 HD3 LYS A 58 -2.060 16.251 -2.960 1.00 3.15 H new ATOM 0 HE2 LYS A 58 -4.179 16.177 -4.252 1.00 3.80 H new ATOM 0 HE3 LYS A 58 -4.460 16.182 -2.522 1.00 3.80 H new ATOM 0 HZ1 LYS A 58 -5.869 17.719 -3.934 1.00 4.55 H new ATOM 0 HZ2 LYS A 58 -5.144 18.404 -2.560 1.00 4.55 H new ATOM 0 HZ3 LYS A 58 -4.487 18.692 -4.099 1.00 4.55 H new TER 699 LYS A 58 ATOM 700 N ASP B 13 10.183 8.138 -13.858 1.00 1.37 N ATOM 701 CA ASP B 13 9.780 7.677 -12.509 1.00 0.51 C ATOM 702 C ASP B 13 8.435 6.955 -12.591 1.00 0.38 C ATOM 703 O ASP B 13 7.957 6.666 -13.689 1.00 0.51 O ATOM 704 CB ASP B 13 9.708 8.868 -11.545 1.00 1.11 C ATOM 705 CG ASP B 13 8.555 9.798 -11.838 1.00 1.60 C ATOM 706 OD1 ASP B 13 8.691 10.652 -12.733 1.00 2.32 O ATOM 707 OD2 ASP B 13 7.510 9.681 -11.168 1.00 2.19 O ATOM 0 HA ASP B 13 10.524 6.978 -12.127 1.00 0.51 H new ATOM 0 HB2 ASP B 13 9.617 8.497 -10.524 1.00 1.11 H new ATOM 0 HB3 ASP B 13 10.642 9.428 -11.599 1.00 1.11 H new ATOM 714 N GLY B 14 7.824 6.665 -11.443 1.00 0.21 N ATOM 715 CA GLY B 14 6.566 5.929 -11.434 1.00 0.21 C ATOM 716 C GLY B 14 6.695 4.484 -11.897 1.00 0.19 C ATOM 717 O GLY B 14 6.113 4.103 -12.913 1.00 0.28 O ATOM 0 H GLY B 14 8.175 6.925 -10.521 1.00 0.21 H new ATOM 0 HA2 GLY B 14 6.156 5.942 -10.424 1.00 0.21 H new ATOM 0 HA3 GLY B 14 5.850 6.444 -12.075 1.00 0.21 H new ATOM 721 N GLU B 15 7.456 3.673 -11.161 1.00 0.15 N ATOM 722 CA GLU B 15 7.550 2.245 -11.453 1.00 0.15 C ATOM 723 C GLU B 15 6.707 1.470 -10.452 1.00 0.14 C ATOM 724 O GLU B 15 7.087 1.333 -9.293 1.00 0.22 O ATOM 725 CB GLU B 15 9.000 1.768 -11.371 1.00 0.18 C ATOM 726 CG GLU B 15 10.007 2.815 -11.801 1.00 0.86 C ATOM 727 CD GLU B 15 11.439 2.360 -11.630 1.00 1.08 C ATOM 728 OE1 GLU B 15 11.768 1.241 -12.074 1.00 1.45 O ATOM 729 OE2 GLU B 15 12.245 3.128 -11.067 1.00 1.76 O ATOM 0 H GLU B 15 8.013 3.980 -10.363 1.00 0.15 H new ATOM 0 HA GLU B 15 7.184 2.072 -12.465 1.00 0.15 H new ATOM 0 HB2 GLU B 15 9.217 1.466 -10.346 1.00 0.18 H new ATOM 0 HB3 GLU B 15 9.119 0.883 -11.996 1.00 0.18 H new ATOM 0 HG2 GLU B 15 9.835 3.070 -12.847 1.00 0.86 H new ATOM 0 HG3 GLU B 15 9.848 3.724 -11.221 1.00 0.86 H new ATOM 736 N ILE B 16 5.569 0.967 -10.885 1.00 0.12 N ATOM 737 CA ILE B 16 4.650 0.304 -9.977 1.00 0.11 C ATOM 738 C ILE B 16 5.208 -1.024 -9.466 1.00 0.12 C ATOM 739 O ILE B 16 5.883 -1.758 -10.192 1.00 0.16 O ATOM 740 CB ILE B 16 3.280 0.063 -10.637 1.00 0.11 C ATOM 741 CG1 ILE B 16 2.431 1.339 -10.580 1.00 0.11 C ATOM 742 CG2 ILE B 16 2.569 -1.083 -9.938 1.00 0.12 C ATOM 743 CD1 ILE B 16 1.706 1.524 -9.267 1.00 0.11 C ATOM 0 H ILE B 16 5.257 1.003 -11.856 1.00 0.12 H new ATOM 0 HA ILE B 16 4.522 0.975 -9.128 1.00 0.11 H new ATOM 0 HB ILE B 16 3.429 -0.202 -11.684 1.00 0.11 H new ATOM 0 HG12 ILE B 16 3.074 2.202 -10.755 1.00 0.11 H new ATOM 0 HG13 ILE B 16 1.701 1.316 -11.389 1.00 0.11 H new ATOM 0 HG21 ILE B 16 1.600 -1.251 -10.408 1.00 0.12 H new ATOM 0 HG22 ILE B 16 3.172 -1.988 -10.017 1.00 0.12 H new ATOM 0 HG23 ILE B 16 2.424 -0.834 -8.887 1.00 0.12 H new ATOM 0 HD11 ILE B 16 1.126 2.446 -9.298 1.00 0.11 H new ATOM 0 HD12 ILE B 16 1.037 0.680 -9.099 1.00 0.11 H new ATOM 0 HD13 ILE B 16 2.432 1.579 -8.455 1.00 0.11 H new ATOM 755 N PHE B 17 4.919 -1.308 -8.205 1.00 0.11 N ATOM 756 CA PHE B 17 5.282 -2.567 -7.586 1.00 0.11 C ATOM 757 C PHE B 17 4.144 -3.059 -6.698 1.00 0.11 C ATOM 758 O PHE B 17 3.571 -2.289 -5.928 1.00 0.11 O ATOM 759 CB PHE B 17 6.587 -2.396 -6.808 1.00 0.12 C ATOM 760 CG PHE B 17 6.636 -1.179 -5.921 1.00 0.11 C ATOM 761 CD1 PHE B 17 6.109 -1.205 -4.632 1.00 1.09 C ATOM 762 CD2 PHE B 17 7.235 -0.012 -6.376 1.00 1.11 C ATOM 763 CE1 PHE B 17 6.182 -0.088 -3.819 1.00 1.10 C ATOM 764 CE2 PHE B 17 7.310 1.106 -5.570 1.00 1.11 C ATOM 765 CZ PHE B 17 6.785 1.071 -4.288 1.00 0.10 C ATOM 0 H PHE B 17 4.425 -0.668 -7.583 1.00 0.11 H new ATOM 0 HA PHE B 17 5.447 -3.325 -8.351 1.00 0.11 H new ATOM 0 HB2 PHE B 17 6.747 -3.283 -6.195 1.00 0.12 H new ATOM 0 HB3 PHE B 17 7.413 -2.345 -7.517 1.00 0.12 H new ATOM 0 HD1 PHE B 17 5.639 -2.105 -4.264 1.00 1.09 H new ATOM 0 HD2 PHE B 17 7.648 0.021 -7.374 1.00 1.11 H new ATOM 0 HE1 PHE B 17 5.770 -0.118 -2.821 1.00 1.10 H new ATOM 0 HE2 PHE B 17 7.777 2.007 -5.938 1.00 1.11 H new ATOM 0 HZ PHE B 17 6.845 1.944 -3.655 1.00 0.10 H new ATOM 775 N TYR B 18 3.797 -4.334 -6.828 1.00 0.11 N ATOM 776 CA TYR B 18 2.646 -4.884 -6.132 1.00 0.10 C ATOM 777 C TYR B 18 3.064 -5.714 -4.935 1.00 0.09 C ATOM 778 O TYR B 18 4.042 -6.466 -4.988 1.00 0.09 O ATOM 779 CB TYR B 18 1.801 -5.734 -7.079 1.00 0.12 C ATOM 780 CG TYR B 18 1.091 -4.924 -8.134 1.00 0.09 C ATOM 781 CD1 TYR B 18 -0.043 -4.197 -7.812 1.00 1.17 C ATOM 782 CD2 TYR B 18 1.551 -4.882 -9.441 1.00 1.17 C ATOM 783 CE1 TYR B 18 -0.708 -3.450 -8.760 1.00 1.15 C ATOM 784 CE2 TYR B 18 0.893 -4.137 -10.402 1.00 1.20 C ATOM 785 CZ TYR B 18 -0.237 -3.422 -10.057 1.00 0.12 C ATOM 786 OH TYR B 18 -0.894 -2.675 -11.008 1.00 0.18 O ATOM 0 H TYR B 18 4.298 -5.005 -7.410 1.00 0.11 H new ATOM 0 HA TYR B 18 2.050 -4.044 -5.774 1.00 0.10 H new ATOM 0 HB2 TYR B 18 2.442 -6.470 -7.565 1.00 0.12 H new ATOM 0 HB3 TYR B 18 1.063 -6.288 -6.499 1.00 0.12 H new ATOM 0 HD1 TYR B 18 -0.413 -4.216 -6.798 1.00 1.17 H new ATOM 0 HD2 TYR B 18 2.436 -5.439 -9.712 1.00 1.17 H new ATOM 0 HE1 TYR B 18 -1.591 -2.890 -8.490 1.00 1.15 H new ATOM 0 HE2 TYR B 18 1.261 -4.114 -11.417 1.00 1.20 H new ATOM 0 HH TYR B 18 -0.433 -2.762 -11.868 1.00 0.18 H new ATOM 796 N LEU B 19 2.309 -5.567 -3.857 1.00 0.13 N ATOM 797 CA LEU B 19 2.570 -6.280 -2.614 1.00 0.13 C ATOM 798 C LEU B 19 1.326 -7.078 -2.191 1.00 0.21 C ATOM 799 O LEU B 19 0.779 -6.860 -1.110 1.00 0.25 O ATOM 800 CB LEU B 19 2.951 -5.285 -1.496 1.00 0.12 C ATOM 801 CG LEU B 19 4.232 -4.440 -1.717 1.00 0.10 C ATOM 802 CD1 LEU B 19 5.432 -5.346 -1.909 1.00 0.08 C ATOM 803 CD2 LEU B 19 4.089 -3.469 -2.875 1.00 0.11 C ATOM 0 H LEU B 19 1.498 -4.950 -3.818 1.00 0.13 H new ATOM 0 HA LEU B 19 3.400 -6.968 -2.777 1.00 0.13 H new ATOM 0 HB2 LEU B 19 2.114 -4.602 -1.350 1.00 0.12 H new ATOM 0 HB3 LEU B 19 3.070 -5.846 -0.569 1.00 0.12 H new ATOM 0 HG LEU B 19 4.386 -3.837 -0.822 1.00 0.10 H new ATOM 0 HD11 LEU B 19 6.325 -4.740 -2.063 1.00 0.08 H new ATOM 0 HD12 LEU B 19 5.564 -5.968 -1.023 1.00 0.08 H new ATOM 0 HD13 LEU B 19 5.271 -5.983 -2.779 1.00 0.08 H new ATOM 0 HD21 LEU B 19 5.012 -2.901 -2.989 1.00 0.11 H new ATOM 0 HD22 LEU B 19 3.888 -4.023 -3.792 1.00 0.11 H new ATOM 0 HD23 LEU B 19 3.264 -2.785 -2.676 1.00 0.11 H new ATOM 815 N PRO B 20 0.867 -8.027 -3.033 1.00 0.23 N ATOM 816 CA PRO B 20 -0.386 -8.770 -2.799 1.00 0.29 C ATOM 817 C PRO B 20 -0.289 -9.794 -1.683 1.00 0.29 C ATOM 818 O PRO B 20 -1.263 -10.059 -0.983 1.00 0.33 O ATOM 819 CB PRO B 20 -0.613 -9.473 -4.137 1.00 0.33 C ATOM 820 CG PRO B 20 0.764 -9.695 -4.646 1.00 0.29 C ATOM 821 CD PRO B 20 1.506 -8.443 -4.297 1.00 0.23 C ATOM 0 HA PRO B 20 -1.191 -8.106 -2.485 1.00 0.29 H new ATOM 0 HB2 PRO B 20 -1.151 -10.412 -4.011 1.00 0.33 H new ATOM 0 HB3 PRO B 20 -1.200 -8.858 -4.820 1.00 0.33 H new ATOM 0 HG2 PRO B 20 1.221 -10.569 -4.182 1.00 0.29 H new ATOM 0 HG3 PRO B 20 0.765 -9.869 -5.722 1.00 0.29 H new ATOM 0 HD2 PRO B 20 2.573 -8.627 -4.170 1.00 0.23 H new ATOM 0 HD3 PRO B 20 1.404 -7.683 -5.071 1.00 0.23 H new ATOM 829 N ASN B 21 0.885 -10.367 -1.518 1.00 0.27 N ATOM 830 CA ASN B 21 1.069 -11.415 -0.535 1.00 0.28 C ATOM 831 C ASN B 21 1.363 -10.818 0.830 1.00 0.24 C ATOM 832 O ASN B 21 1.230 -11.482 1.857 1.00 0.28 O ATOM 833 CB ASN B 21 2.171 -12.373 -0.995 1.00 0.31 C ATOM 834 CG ASN B 21 3.246 -12.613 0.039 1.00 0.32 C ATOM 835 OD1 ASN B 21 3.097 -13.435 0.939 1.00 0.41 O ATOM 836 ND2 ASN B 21 4.354 -11.917 -0.114 1.00 0.30 N ATOM 0 H ASN B 21 1.722 -10.127 -2.049 1.00 0.27 H new ATOM 0 HA ASN B 21 0.148 -11.990 -0.441 1.00 0.28 H new ATOM 0 HB2 ASN B 21 1.719 -13.328 -1.264 1.00 0.31 H new ATOM 0 HB3 ASN B 21 2.632 -11.973 -1.898 1.00 0.31 H new ATOM 0 HD21 ASN B 21 5.133 -12.051 0.531 1.00 0.30 H new ATOM 0 HD22 ASN B 21 4.433 -11.245 -0.877 1.00 0.30 H new ATOM 843 N LEU B 22 1.739 -9.553 0.846 1.00 0.19 N ATOM 844 CA LEU B 22 1.956 -8.876 2.099 1.00 0.16 C ATOM 845 C LEU B 22 0.655 -8.452 2.713 1.00 0.20 C ATOM 846 O LEU B 22 -0.218 -7.886 2.056 1.00 0.26 O ATOM 847 CB LEU B 22 2.879 -7.685 1.940 1.00 0.14 C ATOM 848 CG LEU B 22 4.284 -8.077 1.522 1.00 0.13 C ATOM 849 CD1 LEU B 22 5.262 -6.951 1.753 1.00 0.12 C ATOM 850 CD2 LEU B 22 4.701 -9.312 2.283 1.00 0.14 C ATOM 0 H LEU B 22 1.897 -8.984 0.014 1.00 0.19 H new ATOM 0 HA LEU B 22 2.441 -9.586 2.769 1.00 0.16 H new ATOM 0 HB2 LEU B 22 2.461 -7.005 1.198 1.00 0.14 H new ATOM 0 HB3 LEU B 22 2.925 -7.139 2.882 1.00 0.14 H new ATOM 0 HG LEU B 22 4.286 -8.290 0.453 1.00 0.13 H new ATOM 0 HD11 LEU B 22 6.259 -7.265 1.443 1.00 0.12 H new ATOM 0 HD12 LEU B 22 4.959 -6.081 1.171 1.00 0.12 H new ATOM 0 HD13 LEU B 22 5.276 -6.693 2.812 1.00 0.12 H new ATOM 0 HD21 LEU B 22 5.710 -9.599 1.987 1.00 0.14 H new ATOM 0 HD22 LEU B 22 4.682 -9.104 3.353 1.00 0.14 H new ATOM 0 HD23 LEU B 22 4.012 -10.127 2.060 1.00 0.14 H new ATOM 862 N ASN B 23 0.545 -8.737 3.983 1.00 0.21 N ATOM 863 CA ASN B 23 -0.650 -8.424 4.729 1.00 0.26 C ATOM 864 C ASN B 23 -0.499 -7.050 5.340 1.00 0.20 C ATOM 865 O ASN B 23 0.618 -6.535 5.383 1.00 0.15 O ATOM 866 CB ASN B 23 -0.890 -9.501 5.790 1.00 0.35 C ATOM 867 CG ASN B 23 -1.365 -10.800 5.172 1.00 0.56 C ATOM 868 OD1 ASN B 23 -2.563 -11.055 5.091 1.00 1.19 O ATOM 869 ND2 ASN B 23 -0.433 -11.621 4.708 1.00 0.55 N ATOM 0 H ASN B 23 1.276 -9.191 4.530 1.00 0.21 H new ATOM 0 HA ASN B 23 -1.521 -8.411 4.074 1.00 0.26 H new ATOM 0 HB2 ASN B 23 0.032 -9.677 6.345 1.00 0.35 H new ATOM 0 HB3 ASN B 23 -1.631 -9.147 6.507 1.00 0.35 H new ATOM 0 HD21 ASN B 23 -0.702 -12.500 4.265 1.00 0.55 H new ATOM 0 HD22 ASN B 23 0.553 -11.374 4.794 1.00 0.55 H new ATOM 876 N PRO B 24 -1.602 -6.414 5.773 1.00 0.25 N ATOM 877 CA PRO B 24 -1.560 -5.085 6.386 1.00 0.22 C ATOM 878 C PRO B 24 -0.390 -4.926 7.349 1.00 0.18 C ATOM 879 O PRO B 24 0.330 -3.934 7.306 1.00 0.19 O ATOM 880 CB PRO B 24 -2.883 -5.016 7.141 1.00 0.27 C ATOM 881 CG PRO B 24 -3.816 -5.867 6.347 1.00 0.33 C ATOM 882 CD PRO B 24 -2.981 -6.932 5.685 1.00 0.37 C ATOM 0 HA PRO B 24 -1.426 -4.295 5.647 1.00 0.22 H new ATOM 0 HB2 PRO B 24 -2.777 -5.388 8.160 1.00 0.27 H new ATOM 0 HB3 PRO B 24 -3.246 -3.991 7.212 1.00 0.27 H new ATOM 0 HG2 PRO B 24 -4.573 -6.315 6.991 1.00 0.33 H new ATOM 0 HG3 PRO B 24 -4.343 -5.271 5.602 1.00 0.33 H new ATOM 0 HD2 PRO B 24 -3.080 -7.890 6.195 1.00 0.37 H new ATOM 0 HD3 PRO B 24 -3.283 -7.089 4.649 1.00 0.37 H new ATOM 890 N ASP B 25 -0.168 -5.952 8.162 1.00 0.20 N ATOM 891 CA ASP B 25 0.860 -5.910 9.199 1.00 0.24 C ATOM 892 C ASP B 25 2.258 -6.017 8.592 1.00 0.23 C ATOM 893 O ASP B 25 3.218 -5.455 9.114 1.00 0.28 O ATOM 894 CB ASP B 25 0.638 -7.034 10.214 1.00 0.34 C ATOM 895 CG ASP B 25 1.627 -6.994 11.363 1.00 0.98 C ATOM 896 OD1 ASP B 25 1.375 -6.267 12.349 1.00 1.49 O ATOM 897 OD2 ASP B 25 2.649 -7.702 11.296 1.00 1.76 O ATOM 0 H ASP B 25 -0.688 -6.828 8.124 1.00 0.20 H new ATOM 0 HA ASP B 25 0.784 -4.950 9.710 1.00 0.24 H new ATOM 0 HB2 ASP B 25 -0.375 -6.964 10.610 1.00 0.34 H new ATOM 0 HB3 ASP B 25 0.716 -7.996 9.707 1.00 0.34 H new ATOM 902 N GLN B 26 2.360 -6.717 7.469 1.00 0.19 N ATOM 903 CA GLN B 26 3.623 -6.900 6.783 1.00 0.20 C ATOM 904 C GLN B 26 4.043 -5.578 6.159 1.00 0.20 C ATOM 905 O GLN B 26 5.168 -5.107 6.323 1.00 0.24 O ATOM 906 CB GLN B 26 3.441 -7.981 5.713 1.00 0.25 C ATOM 907 CG GLN B 26 2.844 -9.274 6.262 1.00 0.31 C ATOM 908 CD GLN B 26 3.678 -9.895 7.368 1.00 0.29 C ATOM 909 OE1 GLN B 26 4.980 -9.729 7.278 1.00 0.48 O flip ATOM 910 NE2 GLN B 26 3.155 -10.532 8.277 1.00 0.28 N flip ATOM 0 H GLN B 26 1.569 -7.171 7.013 1.00 0.19 H new ATOM 0 HA GLN B 26 4.402 -7.216 7.476 1.00 0.20 H new ATOM 0 HB2 GLN B 26 2.795 -7.597 4.923 1.00 0.25 H new ATOM 0 HB3 GLN B 26 4.407 -8.199 5.257 1.00 0.25 H new ATOM 0 HG2 GLN B 26 1.842 -9.072 6.641 1.00 0.31 H new ATOM 0 HG3 GLN B 26 2.738 -9.992 5.449 1.00 0.31 H new ATOM 0 HE21 GLN B 26 2.141 -10.636 8.309 1.00 0.28 H new ATOM 0 HE22 GLN B 26 3.734 -10.957 9.001 1.00 0.28 H new ATOM 919 N LEU B 27 3.094 -4.993 5.462 1.00 0.16 N ATOM 920 CA LEU B 27 3.233 -3.674 4.860 1.00 0.17 C ATOM 921 C LEU B 27 3.489 -2.588 5.913 1.00 0.19 C ATOM 922 O LEU B 27 4.103 -1.567 5.608 1.00 0.21 O ATOM 923 CB LEU B 27 1.955 -3.345 4.088 1.00 0.16 C ATOM 924 CG LEU B 27 1.556 -4.378 3.032 1.00 0.14 C ATOM 925 CD1 LEU B 27 0.061 -4.310 2.767 1.00 0.15 C ATOM 926 CD2 LEU B 27 2.329 -4.150 1.741 1.00 0.13 C ATOM 0 H LEU B 27 2.185 -5.424 5.291 1.00 0.16 H new ATOM 0 HA LEU B 27 4.093 -3.694 4.191 1.00 0.17 H new ATOM 0 HB2 LEU B 27 1.136 -3.239 4.799 1.00 0.16 H new ATOM 0 HB3 LEU B 27 2.081 -2.378 3.600 1.00 0.16 H new ATOM 0 HG LEU B 27 1.801 -5.370 3.411 1.00 0.14 H new ATOM 0 HD11 LEU B 27 -0.209 -5.050 2.014 1.00 0.15 H new ATOM 0 HD12 LEU B 27 -0.482 -4.516 3.689 1.00 0.15 H new ATOM 0 HD13 LEU B 27 -0.200 -3.315 2.407 1.00 0.15 H new ATOM 0 HD21 LEU B 27 2.031 -4.894 1.002 1.00 0.13 H new ATOM 0 HD22 LEU B 27 2.112 -3.153 1.359 1.00 0.13 H new ATOM 0 HD23 LEU B 27 3.398 -4.240 1.936 1.00 0.13 H new ATOM 938 N CYS B 28 3.017 -2.818 7.146 1.00 0.20 N ATOM 939 CA CYS B 28 3.153 -1.839 8.233 1.00 0.23 C ATOM 940 C CYS B 28 4.587 -1.344 8.386 1.00 0.23 C ATOM 941 O CYS B 28 4.824 -0.150 8.549 1.00 0.28 O ATOM 942 CB CYS B 28 2.665 -2.415 9.567 1.00 0.25 C ATOM 943 SG CYS B 28 0.851 -2.458 9.755 1.00 0.27 S ATOM 0 H CYS B 28 2.536 -3.676 7.416 1.00 0.20 H new ATOM 0 HA CYS B 28 2.526 -0.990 7.960 1.00 0.23 H new ATOM 0 HB2 CYS B 28 3.053 -3.428 9.674 1.00 0.25 H new ATOM 0 HB3 CYS B 28 3.088 -1.824 10.380 1.00 0.25 H new ATOM 948 N ALA B 29 5.539 -2.258 8.312 1.00 0.22 N ATOM 949 CA ALA B 29 6.939 -1.905 8.478 1.00 0.24 C ATOM 950 C ALA B 29 7.441 -1.072 7.310 1.00 0.21 C ATOM 951 O ALA B 29 8.192 -0.114 7.494 1.00 0.25 O ATOM 952 CB ALA B 29 7.779 -3.155 8.600 1.00 0.26 C ATOM 0 H ALA B 29 5.369 -3.249 8.138 1.00 0.22 H new ATOM 0 HA ALA B 29 7.027 -1.312 9.389 1.00 0.24 H new ATOM 0 HB1 ALA B 29 8.826 -2.879 8.724 1.00 0.26 H new ATOM 0 HB2 ALA B 29 7.451 -3.731 9.465 1.00 0.26 H new ATOM 0 HB3 ALA B 29 7.667 -3.758 7.699 1.00 0.26 H new ATOM 958 N PHE B 30 7.022 -1.449 6.110 1.00 0.18 N ATOM 959 CA PHE B 30 7.519 -0.827 4.895 1.00 0.17 C ATOM 960 C PHE B 30 7.272 0.679 4.865 1.00 0.21 C ATOM 961 O PHE B 30 8.221 1.453 4.816 1.00 0.22 O ATOM 962 CB PHE B 30 6.847 -1.477 3.687 1.00 0.18 C ATOM 963 CG PHE B 30 7.255 -0.871 2.381 1.00 0.16 C ATOM 964 CD1 PHE B 30 8.587 -0.632 2.114 1.00 1.13 C ATOM 965 CD2 PHE B 30 6.312 -0.555 1.416 1.00 1.07 C ATOM 966 CE1 PHE B 30 8.976 -0.090 0.915 1.00 1.13 C ATOM 967 CE2 PHE B 30 6.702 -0.007 0.209 1.00 1.07 C ATOM 968 CZ PHE B 30 8.042 0.222 -0.039 1.00 0.13 C ATOM 0 H PHE B 30 6.335 -2.187 5.954 1.00 0.18 H new ATOM 0 HA PHE B 30 8.598 -0.979 4.865 1.00 0.17 H new ATOM 0 HB2 PHE B 30 7.087 -2.540 3.676 1.00 0.18 H new ATOM 0 HB3 PHE B 30 5.765 -1.395 3.795 1.00 0.18 H new ATOM 0 HD1 PHE B 30 9.332 -0.874 2.857 1.00 1.13 H new ATOM 0 HD2 PHE B 30 5.265 -0.738 1.609 1.00 1.07 H new ATOM 0 HE1 PHE B 30 10.023 0.092 0.722 1.00 1.13 H new ATOM 0 HE2 PHE B 30 5.962 0.241 -0.538 1.00 1.07 H new ATOM 0 HZ PHE B 30 8.353 0.646 -0.982 1.00 0.13 H new ATOM 978 N PHE B 31 6.017 1.103 4.972 1.00 0.26 N ATOM 979 CA PHE B 31 5.708 2.519 4.944 1.00 0.35 C ATOM 980 C PHE B 31 6.087 3.198 6.249 1.00 0.37 C ATOM 981 O PHE B 31 6.165 4.421 6.314 1.00 0.46 O ATOM 982 CB PHE B 31 4.245 2.793 4.574 1.00 0.65 C ATOM 983 CG PHE B 31 3.226 1.870 5.175 1.00 0.23 C ATOM 984 CD1 PHE B 31 3.086 1.754 6.544 1.00 1.16 C ATOM 985 CD2 PHE B 31 2.386 1.137 4.355 1.00 1.13 C ATOM 986 CE1 PHE B 31 2.128 0.924 7.085 1.00 1.05 C ATOM 987 CE2 PHE B 31 1.424 0.307 4.890 1.00 1.45 C ATOM 988 CZ PHE B 31 1.294 0.200 6.256 1.00 0.80 C ATOM 0 H PHE B 31 5.209 0.490 5.078 1.00 0.26 H new ATOM 0 HA PHE B 31 6.318 2.955 4.153 1.00 0.35 H new ATOM 0 HB2 PHE B 31 4.001 3.813 4.872 1.00 0.65 H new ATOM 0 HB3 PHE B 31 4.152 2.747 3.489 1.00 0.65 H new ATOM 0 HD1 PHE B 31 3.734 2.320 7.197 1.00 1.16 H new ATOM 0 HD2 PHE B 31 2.485 1.216 3.282 1.00 1.13 H new ATOM 0 HE1 PHE B 31 2.030 0.840 8.157 1.00 1.05 H new ATOM 0 HE2 PHE B 31 0.774 -0.258 4.239 1.00 1.45 H new ATOM 0 HZ PHE B 31 0.541 -0.449 6.679 1.00 0.80 H new ATOM 998 N HIS B 32 6.346 2.411 7.282 1.00 0.36 N ATOM 999 CA HIS B 32 6.842 2.967 8.532 1.00 0.43 C ATOM 1000 C HIS B 32 8.282 3.431 8.345 1.00 0.40 C ATOM 1001 O HIS B 32 8.636 4.539 8.730 1.00 0.47 O ATOM 1002 CB HIS B 32 6.762 1.938 9.667 1.00 0.47 C ATOM 1003 CG HIS B 32 7.088 2.502 11.020 1.00 0.71 C ATOM 1004 ND1 HIS B 32 6.137 2.705 11.992 1.00 1.37 N ATOM 1005 CD2 HIS B 32 8.265 2.909 11.559 1.00 1.43 C ATOM 1006 CE1 HIS B 32 6.709 3.214 13.066 1.00 1.77 C ATOM 1007 NE2 HIS B 32 8.001 3.348 12.832 1.00 1.70 N ATOM 0 H HIS B 32 6.223 1.398 7.281 1.00 0.36 H new ATOM 0 HA HIS B 32 6.216 3.816 8.806 1.00 0.43 H new ATOM 0 HB2 HIS B 32 5.757 1.516 9.692 1.00 0.47 H new ATOM 0 HB3 HIS B 32 7.447 1.118 9.451 1.00 0.47 H new ATOM 0 HD2 HIS B 32 9.231 2.891 11.076 1.00 1.43 H new ATOM 0 HE1 HIS B 32 6.204 3.477 13.984 1.00 1.77 H new ATOM 0 HE2 HIS B 32 8.689 3.717 13.488 1.00 1.70 H new ATOM 1016 N SER B 33 9.091 2.591 7.718 1.00 0.33 N ATOM 1017 CA SER B 33 10.482 2.928 7.433 1.00 0.33 C ATOM 1018 C SER B 33 10.561 3.991 6.342 1.00 0.28 C ATOM 1019 O SER B 33 11.446 4.834 6.333 1.00 0.30 O ATOM 1020 CB SER B 33 11.248 1.676 7.007 1.00 0.33 C ATOM 1021 OG SER B 33 11.169 0.669 8.001 1.00 0.77 O ATOM 0 H SER B 33 8.809 1.666 7.394 1.00 0.33 H new ATOM 0 HA SER B 33 10.936 3.329 8.339 1.00 0.33 H new ATOM 0 HB2 SER B 33 10.842 1.298 6.069 1.00 0.33 H new ATOM 0 HB3 SER B 33 12.292 1.929 6.823 1.00 0.33 H new ATOM 0 HG SER B 33 10.274 0.271 7.993 1.00 0.77 H new ATOM 1027 N VAL B 34 9.625 3.906 5.423 1.00 0.22 N ATOM 1028 CA VAL B 34 9.554 4.766 4.256 1.00 0.20 C ATOM 1029 C VAL B 34 9.081 6.173 4.632 1.00 0.26 C ATOM 1030 O VAL B 34 9.585 7.159 4.105 1.00 0.27 O ATOM 1031 CB VAL B 34 8.609 4.133 3.202 1.00 0.19 C ATOM 1032 CG1 VAL B 34 8.167 5.109 2.142 1.00 0.18 C ATOM 1033 CG2 VAL B 34 9.269 2.946 2.533 1.00 0.20 C ATOM 0 H VAL B 34 8.871 3.220 5.465 1.00 0.22 H new ATOM 0 HA VAL B 34 10.553 4.860 3.831 1.00 0.20 H new ATOM 0 HB VAL B 34 7.723 3.813 3.750 1.00 0.19 H new ATOM 0 HG11 VAL B 34 7.508 4.605 1.435 1.00 0.18 H new ATOM 0 HG12 VAL B 34 7.633 5.936 2.609 1.00 0.18 H new ATOM 0 HG13 VAL B 34 9.040 5.493 1.614 1.00 0.18 H new ATOM 0 HG21 VAL B 34 8.588 2.518 1.798 1.00 0.20 H new ATOM 0 HG22 VAL B 34 10.183 3.270 2.036 1.00 0.20 H new ATOM 0 HG23 VAL B 34 9.512 2.194 3.284 1.00 0.20 H new ATOM 1043 N HIS B 35 8.113 6.264 5.540 1.00 0.32 N ATOM 1044 CA HIS B 35 7.660 7.563 6.027 1.00 0.41 C ATOM 1045 C HIS B 35 8.684 8.139 6.986 1.00 0.45 C ATOM 1046 O HIS B 35 9.005 9.326 6.930 1.00 0.51 O ATOM 1047 CB HIS B 35 6.309 7.437 6.728 1.00 0.48 C ATOM 1048 CG HIS B 35 5.777 8.728 7.279 1.00 0.66 C ATOM 1049 ND1 HIS B 35 5.694 8.992 8.629 1.00 1.60 N ATOM 1050 CD2 HIS B 35 5.279 9.821 6.655 1.00 0.88 C ATOM 1051 CE1 HIS B 35 5.171 10.191 8.811 1.00 1.50 C ATOM 1052 NE2 HIS B 35 4.909 10.715 7.629 1.00 0.80 N ATOM 0 H HIS B 35 7.632 5.463 5.949 1.00 0.32 H new ATOM 0 HA HIS B 35 7.546 8.231 5.173 1.00 0.41 H new ATOM 0 HB2 HIS B 35 5.584 7.030 6.024 1.00 0.48 H new ATOM 0 HB3 HIS B 35 6.401 6.718 7.542 1.00 0.48 H new ATOM 0 HD2 HIS B 35 5.189 9.963 5.588 1.00 0.88 H new ATOM 0 HE1 HIS B 35 4.989 10.662 9.765 1.00 1.50 H new ATOM 0 HE2 HIS B 35 4.499 11.634 7.465 1.00 0.80 H new ATOM 1061 N ASP B 36 9.183 7.290 7.874 1.00 0.44 N ATOM 1062 CA ASP B 36 10.222 7.692 8.807 1.00 0.50 C ATOM 1063 C ASP B 36 11.484 8.086 8.064 1.00 0.47 C ATOM 1064 O ASP B 36 12.132 9.071 8.420 1.00 0.52 O ATOM 1065 CB ASP B 36 10.533 6.582 9.812 1.00 0.55 C ATOM 1066 CG ASP B 36 9.748 6.724 11.101 1.00 0.79 C ATOM 1067 OD1 ASP B 36 8.514 6.537 11.079 1.00 1.59 O ATOM 1068 OD2 ASP B 36 10.365 7.035 12.143 1.00 1.29 O ATOM 0 H ASP B 36 8.884 6.319 7.967 1.00 0.44 H new ATOM 0 HA ASP B 36 9.850 8.555 9.359 1.00 0.50 H new ATOM 0 HB2 ASP B 36 10.310 5.615 9.360 1.00 0.55 H new ATOM 0 HB3 ASP B 36 11.599 6.590 10.038 1.00 0.55 H new ATOM 1073 N ASP B 37 11.834 7.338 7.022 1.00 0.39 N ATOM 1074 CA ASP B 37 13.019 7.685 6.242 1.00 0.40 C ATOM 1075 C ASP B 37 12.773 7.511 4.750 1.00 0.32 C ATOM 1076 O ASP B 37 13.104 6.482 4.161 1.00 0.29 O ATOM 1077 CB ASP B 37 14.222 6.852 6.682 1.00 0.48 C ATOM 1078 CG ASP B 37 15.535 7.533 6.363 1.00 1.00 C ATOM 1079 OD1 ASP B 37 15.769 7.873 5.185 1.00 1.58 O ATOM 1080 OD2 ASP B 37 16.335 7.756 7.301 1.00 1.55 O ATOM 0 H ASP B 37 11.331 6.510 6.704 1.00 0.39 H new ATOM 0 HA ASP B 37 13.237 8.737 6.427 1.00 0.40 H new ATOM 0 HB2 ASP B 37 14.161 6.667 7.755 1.00 0.48 H new ATOM 0 HB3 ASP B 37 14.189 5.880 6.189 1.00 0.48 H new ATOM 1085 N PRO B 38 12.184 8.535 4.118 1.00 0.34 N ATOM 1086 CA PRO B 38 11.917 8.552 2.671 1.00 0.31 C ATOM 1087 C PRO B 38 13.190 8.500 1.823 1.00 0.30 C ATOM 1088 O PRO B 38 13.128 8.279 0.611 1.00 0.36 O ATOM 1089 CB PRO B 38 11.204 9.892 2.460 1.00 0.42 C ATOM 1090 CG PRO B 38 11.600 10.716 3.636 1.00 0.49 C ATOM 1091 CD PRO B 38 11.690 9.759 4.774 1.00 0.46 C ATOM 0 HA PRO B 38 11.340 7.680 2.364 1.00 0.31 H new ATOM 0 HB2 PRO B 38 11.511 10.362 1.525 1.00 0.42 H new ATOM 0 HB3 PRO B 38 10.123 9.763 2.412 1.00 0.42 H new ATOM 0 HG2 PRO B 38 12.554 11.214 3.464 1.00 0.49 H new ATOM 0 HG3 PRO B 38 10.865 11.496 3.835 1.00 0.49 H new ATOM 0 HD2 PRO B 38 12.373 10.110 5.547 1.00 0.46 H new ATOM 0 HD3 PRO B 38 10.722 9.602 5.251 1.00 0.46 H new ATOM 1099 N SER B 39 14.339 8.694 2.462 1.00 0.29 N ATOM 1100 CA SER B 39 15.615 8.740 1.758 1.00 0.31 C ATOM 1101 C SER B 39 15.997 7.367 1.215 1.00 0.26 C ATOM 1102 O SER B 39 16.829 7.251 0.315 1.00 0.31 O ATOM 1103 CB SER B 39 16.713 9.275 2.684 1.00 0.39 C ATOM 1104 OG SER B 39 17.920 9.503 1.979 1.00 1.45 O ATOM 0 H SER B 39 14.412 8.822 3.471 1.00 0.29 H new ATOM 0 HA SER B 39 15.509 9.416 0.910 1.00 0.31 H new ATOM 0 HB2 SER B 39 16.380 10.204 3.147 1.00 0.39 H new ATOM 0 HB3 SER B 39 16.890 8.563 3.490 1.00 0.39 H new ATOM 0 HG SER B 39 18.600 9.845 2.596 1.00 1.45 H new ATOM 1110 N GLN B 40 15.365 6.329 1.741 1.00 0.21 N ATOM 1111 CA GLN B 40 15.695 4.970 1.345 1.00 0.19 C ATOM 1112 C GLN B 40 14.510 4.206 0.824 1.00 0.15 C ATOM 1113 O GLN B 40 14.521 2.987 0.849 1.00 0.14 O ATOM 1114 CB GLN B 40 16.250 4.192 2.509 1.00 0.22 C ATOM 1115 CG GLN B 40 15.818 4.707 3.858 1.00 0.25 C ATOM 1116 CD GLN B 40 16.928 4.613 4.863 1.00 0.32 C ATOM 1117 OE1 GLN B 40 17.075 3.624 5.583 1.00 0.37 O ATOM 1118 NE2 GLN B 40 17.732 5.650 4.883 1.00 0.35 N ATOM 0 H GLN B 40 14.625 6.401 2.439 1.00 0.21 H new ATOM 0 HA GLN B 40 16.432 5.072 0.549 1.00 0.19 H new ATOM 0 HB2 GLN B 40 15.943 3.150 2.415 1.00 0.22 H new ATOM 0 HB3 GLN B 40 17.339 4.209 2.457 1.00 0.22 H new ATOM 0 HG2 GLN B 40 15.495 5.744 3.767 1.00 0.25 H new ATOM 0 HG3 GLN B 40 14.959 4.136 4.209 1.00 0.25 H new ATOM 0 HE21 GLN B 40 17.560 6.441 4.263 1.00 0.35 H new ATOM 0 HE22 GLN B 40 18.529 5.665 5.519 1.00 0.35 H new ATOM 1127 N SER B 41 13.492 4.909 0.396 1.00 0.15 N ATOM 1128 CA SER B 41 12.282 4.285 -0.146 1.00 0.14 C ATOM 1129 C SER B 41 12.599 3.141 -1.126 1.00 0.11 C ATOM 1130 O SER B 41 11.819 2.209 -1.252 1.00 0.10 O ATOM 1131 CB SER B 41 11.396 5.332 -0.821 1.00 0.16 C ATOM 1132 OG SER B 41 12.104 6.002 -1.854 1.00 0.75 O ATOM 0 H SER B 41 13.465 5.929 0.408 1.00 0.15 H new ATOM 0 HA SER B 41 11.745 3.848 0.696 1.00 0.14 H new ATOM 0 HB2 SER B 41 10.509 4.852 -1.234 1.00 0.16 H new ATOM 0 HB3 SER B 41 11.052 6.055 -0.082 1.00 0.16 H new ATOM 0 HG SER B 41 11.748 6.909 -1.960 1.00 0.75 H new ATOM 1138 N ALA B 42 13.741 3.212 -1.814 1.00 0.09 N ATOM 1139 CA ALA B 42 14.161 2.134 -2.708 1.00 0.08 C ATOM 1140 C ALA B 42 14.755 0.949 -1.946 1.00 0.10 C ATOM 1141 O ALA B 42 14.452 -0.205 -2.246 1.00 0.10 O ATOM 1142 CB ALA B 42 15.149 2.635 -3.733 1.00 0.09 C ATOM 0 H ALA B 42 14.387 4.000 -1.769 1.00 0.09 H new ATOM 0 HA ALA B 42 13.264 1.785 -3.219 1.00 0.08 H new ATOM 0 HB1 ALA B 42 15.445 1.813 -4.385 1.00 0.09 H new ATOM 0 HB2 ALA B 42 14.688 3.423 -4.329 1.00 0.09 H new ATOM 0 HB3 ALA B 42 16.029 3.031 -3.227 1.00 0.09 H new ATOM 1148 N ASN B 43 15.610 1.227 -0.968 1.00 0.12 N ATOM 1149 CA ASN B 43 16.165 0.166 -0.126 1.00 0.14 C ATOM 1150 C ASN B 43 15.054 -0.419 0.724 1.00 0.14 C ATOM 1151 O ASN B 43 15.018 -1.613 1.005 1.00 0.15 O ATOM 1152 CB ASN B 43 17.294 0.694 0.769 1.00 0.18 C ATOM 1153 CG ASN B 43 18.576 0.949 0.013 1.00 0.27 C ATOM 1154 OD1 ASN B 43 19.398 0.050 -0.165 1.00 0.37 O ATOM 1155 ND2 ASN B 43 18.767 2.182 -0.417 1.00 0.33 N ATOM 0 H ASN B 43 15.933 2.167 -0.738 1.00 0.12 H new ATOM 0 HA ASN B 43 16.590 -0.606 -0.768 1.00 0.14 H new ATOM 0 HB2 ASN B 43 16.970 1.619 1.246 1.00 0.18 H new ATOM 0 HB3 ASN B 43 17.485 -0.025 1.565 1.00 0.18 H new ATOM 0 HD21 ASN B 43 19.622 2.420 -0.919 1.00 0.33 H new ATOM 0 HD22 ASN B 43 18.059 2.897 -0.248 1.00 0.33 H new ATOM 1162 N LEU B 44 14.157 0.458 1.127 1.00 0.13 N ATOM 1163 CA LEU B 44 12.918 0.079 1.788 1.00 0.13 C ATOM 1164 C LEU B 44 12.047 -0.737 0.841 1.00 0.11 C ATOM 1165 O LEU B 44 11.446 -1.732 1.243 1.00 0.11 O ATOM 1166 CB LEU B 44 12.160 1.325 2.244 1.00 0.14 C ATOM 1167 CG LEU B 44 12.602 1.949 3.577 1.00 0.17 C ATOM 1168 CD1 LEU B 44 13.954 1.441 4.034 1.00 0.19 C ATOM 1169 CD2 LEU B 44 12.663 3.444 3.436 1.00 0.17 C ATOM 0 H LEU B 44 14.266 1.465 1.005 1.00 0.13 H new ATOM 0 HA LEU B 44 13.160 -0.527 2.661 1.00 0.13 H new ATOM 0 HB2 LEU B 44 12.251 2.083 1.466 1.00 0.14 H new ATOM 0 HB3 LEU B 44 11.103 1.072 2.320 1.00 0.14 H new ATOM 0 HG LEU B 44 11.867 1.660 4.328 1.00 0.17 H new ATOM 0 HD11 LEU B 44 14.219 1.913 4.980 1.00 0.19 H new ATOM 0 HD12 LEU B 44 13.910 0.360 4.167 1.00 0.19 H new ATOM 0 HD13 LEU B 44 14.707 1.684 3.284 1.00 0.19 H new ATOM 0 HD21 LEU B 44 12.977 3.886 4.382 1.00 0.17 H new ATOM 0 HD22 LEU B 44 13.379 3.707 2.657 1.00 0.17 H new ATOM 0 HD23 LEU B 44 11.678 3.825 3.167 1.00 0.17 H new ATOM 1181 N LEU B 45 11.997 -0.307 -0.427 1.00 0.10 N ATOM 1182 CA LEU B 45 11.243 -1.007 -1.469 1.00 0.09 C ATOM 1183 C LEU B 45 11.676 -2.448 -1.479 1.00 0.08 C ATOM 1184 O LEU B 45 10.862 -3.368 -1.419 1.00 0.08 O ATOM 1185 CB LEU B 45 11.527 -0.398 -2.856 1.00 0.09 C ATOM 1186 CG LEU B 45 10.308 -0.226 -3.767 1.00 0.11 C ATOM 1187 CD1 LEU B 45 10.684 -0.397 -5.239 1.00 0.13 C ATOM 1188 CD2 LEU B 45 9.213 -1.198 -3.373 1.00 0.10 C ATOM 0 H LEU B 45 12.476 0.531 -0.755 1.00 0.10 H new ATOM 0 HA LEU B 45 10.177 -0.916 -1.258 1.00 0.09 H new ATOM 0 HB2 LEU B 45 11.994 0.577 -2.716 1.00 0.09 H new ATOM 0 HB3 LEU B 45 12.254 -1.029 -3.368 1.00 0.09 H new ATOM 0 HG LEU B 45 9.933 0.789 -3.640 1.00 0.11 H new ATOM 0 HD11 LEU B 45 9.796 -0.269 -5.859 1.00 0.13 H new ATOM 0 HD12 LEU B 45 11.429 0.350 -5.513 1.00 0.13 H new ATOM 0 HD13 LEU B 45 11.095 -1.394 -5.396 1.00 0.13 H new ATOM 0 HD21 LEU B 45 8.353 -1.063 -4.030 1.00 0.10 H new ATOM 0 HD22 LEU B 45 9.583 -2.219 -3.464 1.00 0.10 H new ATOM 0 HD23 LEU B 45 8.914 -1.011 -2.342 1.00 0.10 H new ATOM 1200 N ALA B 46 12.978 -2.611 -1.516 1.00 0.09 N ATOM 1201 CA ALA B 46 13.616 -3.896 -1.487 1.00 0.11 C ATOM 1202 C ALA B 46 13.095 -4.741 -0.348 1.00 0.11 C ATOM 1203 O ALA B 46 12.874 -5.915 -0.529 1.00 0.13 O ATOM 1204 CB ALA B 46 15.102 -3.693 -1.333 1.00 0.13 C ATOM 0 H ALA B 46 13.634 -1.832 -1.568 1.00 0.09 H new ATOM 0 HA ALA B 46 13.398 -4.420 -2.417 1.00 0.11 H new ATOM 0 HB1 ALA B 46 15.601 -4.662 -1.309 1.00 0.13 H new ATOM 0 HB2 ALA B 46 15.479 -3.111 -2.174 1.00 0.13 H new ATOM 0 HB3 ALA B 46 15.302 -3.159 -0.404 1.00 0.13 H new ATOM 1210 N GLU B 47 12.877 -4.128 0.805 1.00 0.11 N ATOM 1211 CA GLU B 47 12.501 -4.859 2.007 1.00 0.12 C ATOM 1212 C GLU B 47 11.053 -5.324 1.952 1.00 0.10 C ATOM 1213 O GLU B 47 10.721 -6.391 2.452 1.00 0.11 O ATOM 1214 CB GLU B 47 12.714 -3.990 3.239 1.00 0.16 C ATOM 1215 CG GLU B 47 14.137 -3.503 3.362 1.00 0.20 C ATOM 1216 CD GLU B 47 15.033 -4.442 4.134 1.00 0.71 C ATOM 1217 OE1 GLU B 47 14.767 -4.687 5.328 1.00 1.20 O ATOM 1218 OE2 GLU B 47 16.029 -4.919 3.555 1.00 1.43 O ATOM 0 H GLU B 47 12.954 -3.119 0.935 1.00 0.11 H new ATOM 0 HA GLU B 47 13.138 -5.742 2.067 1.00 0.12 H new ATOM 0 HB2 GLU B 47 12.042 -3.133 3.196 1.00 0.16 H new ATOM 0 HB3 GLU B 47 12.449 -4.558 4.131 1.00 0.16 H new ATOM 0 HG2 GLU B 47 14.550 -3.359 2.364 1.00 0.20 H new ATOM 0 HG3 GLU B 47 14.138 -2.529 3.851 1.00 0.20 H new ATOM 1225 N ALA B 48 10.196 -4.516 1.354 1.00 0.07 N ATOM 1226 CA ALA B 48 8.785 -4.876 1.217 1.00 0.07 C ATOM 1227 C ALA B 48 8.656 -5.958 0.187 1.00 0.08 C ATOM 1228 O ALA B 48 7.893 -6.901 0.334 1.00 0.09 O ATOM 1229 CB ALA B 48 7.930 -3.693 0.820 1.00 0.09 C ATOM 0 H ALA B 48 10.444 -3.610 0.956 1.00 0.07 H new ATOM 0 HA ALA B 48 8.430 -5.224 2.187 1.00 0.07 H new ATOM 0 HB1 ALA B 48 6.891 -4.009 0.730 1.00 0.09 H new ATOM 0 HB2 ALA B 48 8.009 -2.916 1.580 1.00 0.09 H new ATOM 0 HB3 ALA B 48 8.274 -3.301 -0.137 1.00 0.09 H new ATOM 1235 N LYS B 49 9.429 -5.804 -0.860 1.00 0.09 N ATOM 1236 CA LYS B 49 9.453 -6.753 -1.935 1.00 0.12 C ATOM 1237 C LYS B 49 10.207 -8.002 -1.479 1.00 0.15 C ATOM 1238 O LYS B 49 9.947 -9.104 -1.942 1.00 0.19 O ATOM 1239 CB LYS B 49 10.085 -6.075 -3.144 1.00 0.11 C ATOM 1240 CG LYS B 49 9.358 -4.797 -3.532 1.00 0.11 C ATOM 1241 CD LYS B 49 9.940 -4.141 -4.771 1.00 0.12 C ATOM 1242 CE LYS B 49 11.421 -3.847 -4.629 1.00 0.11 C ATOM 1243 NZ LYS B 49 12.087 -3.665 -5.946 1.00 0.20 N ATOM 0 H LYS B 49 10.060 -5.013 -0.987 1.00 0.09 H new ATOM 0 HA LYS B 49 8.453 -7.078 -2.220 1.00 0.12 H new ATOM 0 HB2 LYS B 49 11.128 -5.846 -2.926 1.00 0.11 H new ATOM 0 HB3 LYS B 49 10.080 -6.764 -3.988 1.00 0.11 H new ATOM 0 HG2 LYS B 49 8.306 -5.022 -3.706 1.00 0.11 H new ATOM 0 HG3 LYS B 49 9.400 -4.094 -2.700 1.00 0.11 H new ATOM 0 HD2 LYS B 49 9.783 -4.792 -5.631 1.00 0.12 H new ATOM 0 HD3 LYS B 49 9.406 -3.212 -4.972 1.00 0.12 H new ATOM 0 HE2 LYS B 49 11.555 -2.947 -4.029 1.00 0.11 H new ATOM 0 HE3 LYS B 49 11.902 -4.664 -4.091 1.00 0.11 H new ATOM 0 HZ1 LYS B 49 12.954 -3.103 -5.822 1.00 0.20 H new ATOM 0 HZ2 LYS B 49 12.331 -4.595 -6.343 1.00 0.20 H new ATOM 0 HZ3 LYS B 49 11.443 -3.169 -6.595 1.00 0.20 H new ATOM 1257 N LYS B 50 11.134 -7.793 -0.551 1.00 0.15 N ATOM 1258 CA LYS B 50 11.833 -8.860 0.170 1.00 0.18 C ATOM 1259 C LYS B 50 10.889 -9.596 1.102 1.00 0.20 C ATOM 1260 O LYS B 50 10.958 -10.804 1.245 1.00 0.26 O ATOM 1261 CB LYS B 50 12.946 -8.210 0.986 1.00 0.19 C ATOM 1262 CG LYS B 50 13.314 -8.938 2.267 1.00 0.24 C ATOM 1263 CD LYS B 50 14.346 -8.155 3.073 1.00 0.33 C ATOM 1264 CE LYS B 50 15.627 -7.936 2.286 1.00 1.07 C ATOM 1265 NZ LYS B 50 16.721 -7.406 3.138 1.00 1.88 N ATOM 0 H LYS B 50 11.430 -6.858 -0.270 1.00 0.15 H new ATOM 0 HA LYS B 50 12.233 -9.583 -0.541 1.00 0.18 H new ATOM 0 HB2 LYS B 50 13.836 -8.133 0.361 1.00 0.19 H new ATOM 0 HB3 LYS B 50 12.645 -7.193 1.238 1.00 0.19 H new ATOM 0 HG2 LYS B 50 12.419 -9.092 2.870 1.00 0.24 H new ATOM 0 HG3 LYS B 50 13.710 -9.925 2.026 1.00 0.24 H new ATOM 0 HD2 LYS B 50 13.927 -7.191 3.361 1.00 0.33 H new ATOM 0 HD3 LYS B 50 14.572 -8.692 3.994 1.00 0.33 H new ATOM 0 HE2 LYS B 50 15.942 -8.878 1.837 1.00 1.07 H new ATOM 0 HE3 LYS B 50 15.436 -7.241 1.468 1.00 1.07 H new ATOM 0 HZ1 LYS B 50 17.543 -7.176 2.544 1.00 1.88 H new ATOM 0 HZ2 LYS B 50 16.396 -6.548 3.627 1.00 1.88 H new ATOM 0 HZ3 LYS B 50 16.992 -8.123 3.841 1.00 1.88 H new ATOM 1279 N LEU B 51 10.036 -8.843 1.760 1.00 0.17 N ATOM 1280 CA LEU B 51 9.034 -9.402 2.638 1.00 0.17 C ATOM 1281 C LEU B 51 8.000 -10.112 1.811 1.00 0.18 C ATOM 1282 O LEU B 51 7.476 -11.165 2.185 1.00 0.20 O ATOM 1283 CB LEU B 51 8.370 -8.305 3.453 1.00 0.14 C ATOM 1284 CG LEU B 51 7.295 -8.806 4.398 1.00 0.12 C ATOM 1285 CD1 LEU B 51 7.831 -9.978 5.198 1.00 0.14 C ATOM 1286 CD2 LEU B 51 6.797 -7.676 5.287 1.00 0.13 C ATOM 0 H LEU B 51 10.018 -7.825 1.701 1.00 0.17 H new ATOM 0 HA LEU B 51 9.510 -10.103 3.323 1.00 0.17 H new ATOM 0 HB2 LEU B 51 9.133 -7.783 4.030 1.00 0.14 H new ATOM 0 HB3 LEU B 51 7.930 -7.576 2.772 1.00 0.14 H new ATOM 0 HG LEU B 51 6.436 -9.157 3.827 1.00 0.12 H new ATOM 0 HD11 LEU B 51 7.059 -10.338 5.877 1.00 0.14 H new ATOM 0 HD12 LEU B 51 8.120 -10.780 4.519 1.00 0.14 H new ATOM 0 HD13 LEU B 51 8.700 -9.659 5.773 1.00 0.14 H new ATOM 0 HD21 LEU B 51 6.026 -8.054 5.958 1.00 0.13 H new ATOM 0 HD22 LEU B 51 7.627 -7.281 5.873 1.00 0.13 H new ATOM 0 HD23 LEU B 51 6.381 -6.882 4.667 1.00 0.13 H new ATOM 1298 N ASN B 52 7.684 -9.496 0.697 1.00 0.18 N ATOM 1299 CA ASN B 52 6.915 -10.148 -0.328 1.00 0.26 C ATOM 1300 C ASN B 52 7.611 -11.449 -0.664 1.00 0.37 C ATOM 1301 O ASN B 52 7.025 -12.503 -0.570 1.00 0.63 O ATOM 1302 CB ASN B 52 6.792 -9.249 -1.559 1.00 0.40 C ATOM 1303 CG ASN B 52 5.957 -9.859 -2.653 1.00 0.79 C ATOM 1304 OD1 ASN B 52 6.469 -10.538 -3.540 1.00 1.86 O ATOM 1305 ND2 ASN B 52 4.662 -9.623 -2.600 1.00 0.29 N ATOM 0 H ASN B 52 7.952 -8.536 0.479 1.00 0.18 H new ATOM 0 HA ASN B 52 5.902 -10.349 0.020 1.00 0.26 H new ATOM 0 HB2 ASN B 52 6.353 -8.296 -1.263 1.00 0.40 H new ATOM 0 HB3 ASN B 52 7.788 -9.035 -1.946 1.00 0.40 H new ATOM 0 HD21 ASN B 52 4.044 -10.010 -3.313 1.00 0.29 H new ATOM 0 HD22 ASN B 52 4.278 -9.054 -1.846 1.00 0.29 H new ATOM 1312 N ASP B 53 8.903 -11.357 -0.910 1.00 0.31 N ATOM 1313 CA ASP B 53 9.725 -12.511 -1.272 1.00 0.37 C ATOM 1314 C ASP B 53 9.752 -13.519 -0.146 1.00 0.38 C ATOM 1315 O ASP B 53 9.906 -14.717 -0.370 1.00 0.47 O ATOM 1316 CB ASP B 53 11.163 -12.080 -1.570 1.00 0.38 C ATOM 1317 CG ASP B 53 11.353 -11.544 -2.975 1.00 0.93 C ATOM 1318 OD1 ASP B 53 10.479 -11.782 -3.838 1.00 1.71 O ATOM 1319 OD2 ASP B 53 12.389 -10.894 -3.231 1.00 1.59 O ATOM 0 H ASP B 53 9.421 -10.479 -0.866 1.00 0.31 H new ATOM 0 HA ASP B 53 9.284 -12.961 -2.161 1.00 0.37 H new ATOM 0 HB2 ASP B 53 11.460 -11.314 -0.854 1.00 0.38 H new ATOM 0 HB3 ASP B 53 11.828 -12.931 -1.421 1.00 0.38 H new ATOM 1324 N ALA B 54 9.600 -13.020 1.067 1.00 0.30 N ATOM 1325 CA ALA B 54 9.739 -13.839 2.245 1.00 0.30 C ATOM 1326 C ALA B 54 8.568 -14.789 2.391 1.00 0.27 C ATOM 1327 O ALA B 54 8.724 -15.949 2.768 1.00 0.32 O ATOM 1328 CB ALA B 54 9.834 -12.954 3.473 1.00 0.27 C ATOM 0 H ALA B 54 9.378 -12.043 1.257 1.00 0.30 H new ATOM 0 HA ALA B 54 10.649 -14.431 2.145 1.00 0.30 H new ATOM 0 HB1 ALA B 54 9.939 -13.576 4.362 1.00 0.27 H new ATOM 0 HB2 ALA B 54 10.701 -12.299 3.383 1.00 0.27 H new ATOM 0 HB3 ALA B 54 8.930 -12.350 3.557 1.00 0.27 H new ATOM 1334 N GLN B 55 7.390 -14.279 2.083 1.00 0.23 N ATOM 1335 CA GLN B 55 6.162 -14.995 2.362 1.00 0.23 C ATOM 1336 C GLN B 55 5.447 -15.412 1.079 1.00 0.27 C ATOM 1337 O GLN B 55 4.562 -16.271 1.103 1.00 0.34 O ATOM 1338 CB GLN B 55 5.256 -14.108 3.199 1.00 0.21 C ATOM 1339 CG GLN B 55 5.948 -13.525 4.406 1.00 0.18 C ATOM 1340 CD GLN B 55 5.069 -12.533 5.109 1.00 0.20 C ATOM 1341 OE1 GLN B 55 5.035 -11.338 4.574 1.00 0.27 O flip ATOM 1342 NE2 GLN B 55 4.380 -12.852 6.074 1.00 0.19 N flip ATOM 0 H GLN B 55 7.259 -13.370 1.639 1.00 0.23 H new ATOM 0 HA GLN B 55 6.408 -15.906 2.908 1.00 0.23 H new ATOM 0 HB2 GLN B 55 4.878 -13.296 2.578 1.00 0.21 H new ATOM 0 HB3 GLN B 55 4.393 -14.687 3.527 1.00 0.21 H new ATOM 0 HG2 GLN B 55 6.220 -14.325 5.094 1.00 0.18 H new ATOM 0 HG3 GLN B 55 6.874 -13.040 4.098 1.00 0.18 H new ATOM 0 HE21 GLN B 55 4.442 -13.796 6.455 1.00 0.19 H new ATOM 0 HE22 GLN B 55 3.746 -12.173 6.494 1.00 0.19 H new ATOM 1351 N ALA B 56 5.826 -14.788 -0.038 1.00 0.27 N ATOM 1352 CA ALA B 56 5.200 -15.042 -1.332 1.00 0.32 C ATOM 1353 C ALA B 56 5.197 -16.528 -1.711 1.00 0.38 C ATOM 1354 O ALA B 56 4.144 -17.079 -2.043 1.00 0.41 O ATOM 1355 CB ALA B 56 5.897 -14.232 -2.404 1.00 0.39 C ATOM 0 H ALA B 56 6.574 -14.095 -0.069 1.00 0.27 H new ATOM 0 HA ALA B 56 4.157 -14.737 -1.251 1.00 0.32 H new ATOM 0 HB1 ALA B 56 5.427 -14.424 -3.369 1.00 0.39 H new ATOM 0 HB2 ALA B 56 5.818 -13.171 -2.167 1.00 0.39 H new ATOM 0 HB3 ALA B 56 6.948 -14.517 -2.449 1.00 0.39 H new ATOM 1361 N PRO B 57 6.364 -17.210 -1.679 1.00 0.48 N ATOM 1362 CA PRO B 57 6.455 -18.607 -2.060 1.00 0.59 C ATOM 1363 C PRO B 57 6.055 -19.529 -0.914 1.00 0.69 C ATOM 1364 O PRO B 57 6.340 -19.248 0.252 1.00 0.78 O ATOM 1365 CB PRO B 57 7.938 -18.795 -2.428 1.00 0.71 C ATOM 1366 CG PRO B 57 8.627 -17.505 -2.101 1.00 0.70 C ATOM 1367 CD PRO B 57 7.678 -16.705 -1.257 1.00 0.54 C ATOM 0 HA PRO B 57 5.781 -18.856 -2.879 1.00 0.59 H new ATOM 0 HB2 PRO B 57 8.375 -19.621 -1.866 1.00 0.71 H new ATOM 0 HB3 PRO B 57 8.047 -19.035 -3.486 1.00 0.71 H new ATOM 0 HG2 PRO B 57 9.558 -17.690 -1.565 1.00 0.70 H new ATOM 0 HG3 PRO B 57 8.885 -16.963 -3.011 1.00 0.70 H new ATOM 0 HD2 PRO B 57 7.850 -16.865 -0.193 1.00 0.54 H new ATOM 0 HD3 PRO B 57 7.778 -15.635 -1.439 1.00 0.54 H new ATOM 1375 N LYS B 58 5.393 -20.624 -1.251 1.00 0.90 N ATOM 1376 CA LYS B 58 4.897 -21.554 -0.247 1.00 1.10 C ATOM 1377 C LYS B 58 5.974 -22.567 0.113 1.00 1.70 C ATOM 1378 O LYS B 58 6.737 -22.313 1.064 1.00 2.13 O ATOM 1379 CB LYS B 58 3.635 -22.274 -0.745 1.00 1.40 C ATOM 1380 CG LYS B 58 2.385 -21.402 -0.810 1.00 1.73 C ATOM 1381 CD LYS B 58 2.501 -20.304 -1.857 1.00 2.38 C ATOM 1382 CE LYS B 58 1.268 -19.416 -1.875 1.00 2.95 C ATOM 1383 NZ LYS B 58 1.028 -18.763 -0.561 1.00 3.49 N ATOM 1384 OXT LYS B 58 6.072 -23.604 -0.578 1.00 2.35 O ATOM 0 H LYS B 58 5.186 -20.892 -2.213 1.00 0.90 H new ATOM 0 HA LYS B 58 4.637 -20.985 0.646 1.00 1.10 H new ATOM 0 HB2 LYS B 58 3.832 -22.677 -1.738 1.00 1.40 H new ATOM 0 HB3 LYS B 58 3.436 -23.122 -0.090 1.00 1.40 H new ATOM 0 HG2 LYS B 58 1.520 -22.026 -1.036 1.00 1.73 H new ATOM 0 HG3 LYS B 58 2.207 -20.952 0.167 1.00 1.73 H new ATOM 0 HD2 LYS B 58 3.384 -19.698 -1.653 1.00 2.38 H new ATOM 0 HD3 LYS B 58 2.642 -20.752 -2.841 1.00 2.38 H new ATOM 0 HE2 LYS B 58 1.384 -18.651 -2.643 1.00 2.95 H new ATOM 0 HE3 LYS B 58 0.397 -20.012 -2.147 1.00 2.95 H new ATOM 0 HZ1 LYS B 58 0.360 -17.975 -0.682 1.00 3.49 H new ATOM 0 HZ2 LYS B 58 0.628 -19.456 0.103 1.00 3.49 H new ATOM 0 HZ3 LYS B 58 1.927 -18.401 -0.184 1.00 3.49 H new TER 1398 LYS B 58 ATOM 1399 N GLU C 35 -12.417 -9.433 -6.051 1.00 1.19 N ATOM 1400 CA GLU C 35 -11.580 -9.939 -4.943 1.00 1.03 C ATOM 1401 C GLU C 35 -11.527 -8.912 -3.816 1.00 0.71 C ATOM 1402 O GLU C 35 -12.077 -9.129 -2.738 1.00 1.01 O ATOM 1403 CB GLU C 35 -10.165 -10.254 -5.445 1.00 1.88 C ATOM 1404 CG GLU C 35 -9.205 -10.708 -4.354 1.00 2.46 C ATOM 1405 CD GLU C 35 -9.586 -12.042 -3.746 1.00 2.78 C ATOM 1406 OE1 GLU C 35 -10.582 -12.101 -2.994 1.00 3.05 O ATOM 1407 OE2 GLU C 35 -8.877 -13.037 -4.001 1.00 3.32 O ATOM 0 HA GLU C 35 -12.023 -10.858 -4.559 1.00 1.03 H new ATOM 0 HB2 GLU C 35 -10.226 -11.031 -6.207 1.00 1.88 H new ATOM 0 HB3 GLU C 35 -9.756 -9.366 -5.927 1.00 1.88 H new ATOM 0 HG2 GLU C 35 -8.200 -10.778 -4.769 1.00 2.46 H new ATOM 0 HG3 GLU C 35 -9.174 -9.953 -3.568 1.00 2.46 H new ATOM 1416 N GLY C 36 -10.891 -7.779 -4.080 1.00 0.40 N ATOM 1417 CA GLY C 36 -10.747 -6.761 -3.063 1.00 0.20 C ATOM 1418 C GLY C 36 -9.799 -5.665 -3.485 1.00 0.15 C ATOM 1419 O GLY C 36 -9.836 -5.217 -4.624 1.00 0.22 O ATOM 0 H GLY C 36 -10.473 -7.548 -4.981 1.00 0.40 H new ATOM 0 HA2 GLY C 36 -11.723 -6.330 -2.842 1.00 0.20 H new ATOM 0 HA3 GLY C 36 -10.385 -7.218 -2.142 1.00 0.20 H new ATOM 1423 N VAL C 37 -8.951 -5.225 -2.573 1.00 0.11 N ATOM 1424 CA VAL C 37 -7.977 -4.188 -2.878 1.00 0.09 C ATOM 1425 C VAL C 37 -6.565 -4.737 -2.678 1.00 0.10 C ATOM 1426 O VAL C 37 -6.330 -5.565 -1.797 1.00 0.16 O ATOM 1427 CB VAL C 37 -8.185 -2.940 -1.990 1.00 0.09 C ATOM 1428 CG1 VAL C 37 -9.621 -2.456 -2.068 1.00 0.08 C ATOM 1429 CG2 VAL C 37 -7.792 -3.223 -0.552 1.00 0.10 C ATOM 0 H VAL C 37 -8.916 -5.569 -1.613 1.00 0.11 H new ATOM 0 HA VAL C 37 -8.113 -3.888 -3.917 1.00 0.09 H new ATOM 0 HB VAL C 37 -7.537 -2.149 -2.367 1.00 0.09 H new ATOM 0 HG11 VAL C 37 -9.744 -1.577 -1.435 1.00 0.08 H new ATOM 0 HG12 VAL C 37 -9.862 -2.197 -3.099 1.00 0.08 H new ATOM 0 HG13 VAL C 37 -10.290 -3.246 -1.726 1.00 0.08 H new ATOM 0 HG21 VAL C 37 -7.948 -2.328 0.051 1.00 0.10 H new ATOM 0 HG22 VAL C 37 -8.404 -4.036 -0.161 1.00 0.10 H new ATOM 0 HG23 VAL C 37 -6.741 -3.509 -0.512 1.00 0.10 H new ATOM 1439 N LEU C 38 -5.646 -4.308 -3.516 1.00 0.10 N ATOM 1440 CA LEU C 38 -4.259 -4.739 -3.430 1.00 0.11 C ATOM 1441 C LEU C 38 -3.351 -3.568 -3.060 1.00 0.12 C ATOM 1442 O LEU C 38 -3.488 -2.477 -3.607 1.00 0.20 O ATOM 1443 CB LEU C 38 -3.849 -5.369 -4.775 1.00 0.13 C ATOM 1444 CG LEU C 38 -2.350 -5.417 -5.094 1.00 0.11 C ATOM 1445 CD1 LEU C 38 -1.585 -6.059 -3.971 1.00 0.78 C ATOM 1446 CD2 LEU C 38 -2.094 -6.190 -6.375 1.00 0.74 C ATOM 0 H LEU C 38 -5.834 -3.653 -4.275 1.00 0.10 H new ATOM 0 HA LEU C 38 -4.153 -5.485 -2.643 1.00 0.11 H new ATOM 0 HB2 LEU C 38 -4.234 -6.388 -4.803 1.00 0.13 H new ATOM 0 HB3 LEU C 38 -4.347 -4.818 -5.573 1.00 0.13 H new ATOM 0 HG LEU C 38 -2.009 -4.389 -5.220 1.00 0.11 H new ATOM 0 HD11 LEU C 38 -0.524 -6.082 -4.220 1.00 0.78 H new ATOM 0 HD12 LEU C 38 -1.731 -5.484 -3.056 1.00 0.78 H new ATOM 0 HD13 LEU C 38 -1.945 -7.077 -3.821 1.00 0.78 H new ATOM 0 HD21 LEU C 38 -1.024 -6.210 -6.580 1.00 0.74 H new ATOM 0 HD22 LEU C 38 -2.461 -7.210 -6.264 1.00 0.74 H new ATOM 0 HD23 LEU C 38 -2.613 -5.706 -7.202 1.00 0.74 H new ATOM 1458 N TYR C 39 -2.434 -3.795 -2.120 1.00 0.10 N ATOM 1459 CA TYR C 39 -1.459 -2.788 -1.765 1.00 0.10 C ATOM 1460 C TYR C 39 -0.436 -2.696 -2.869 1.00 0.12 C ATOM 1461 O TYR C 39 0.311 -3.641 -3.133 1.00 0.15 O ATOM 1462 CB TYR C 39 -0.761 -3.107 -0.443 1.00 0.14 C ATOM 1463 CG TYR C 39 0.229 -2.037 -0.007 1.00 0.15 C ATOM 1464 CD1 TYR C 39 1.486 -1.935 -0.597 1.00 1.12 C ATOM 1465 CD2 TYR C 39 -0.092 -1.133 0.995 1.00 1.09 C ATOM 1466 CE1 TYR C 39 2.388 -0.969 -0.201 1.00 1.12 C ATOM 1467 CE2 TYR C 39 0.807 -0.164 1.397 1.00 1.09 C ATOM 1468 CZ TYR C 39 2.044 -0.087 0.796 1.00 0.16 C ATOM 1469 OH TYR C 39 2.944 0.871 1.199 1.00 0.17 O ATOM 0 H TYR C 39 -2.353 -4.667 -1.597 1.00 0.10 H new ATOM 0 HA TYR C 39 -1.978 -1.838 -1.638 1.00 0.10 H new ATOM 0 HB2 TYR C 39 -1.514 -3.233 0.335 1.00 0.14 H new ATOM 0 HB3 TYR C 39 -0.238 -4.058 -0.538 1.00 0.14 H new ATOM 0 HD1 TYR C 39 1.760 -2.626 -1.380 1.00 1.12 H new ATOM 0 HD2 TYR C 39 -1.061 -1.188 1.469 1.00 1.09 H new ATOM 0 HE1 TYR C 39 3.358 -0.906 -0.671 1.00 1.12 H new ATOM 0 HE2 TYR C 39 0.541 0.531 2.180 1.00 1.09 H new ATOM 0 HH TYR C 39 2.656 1.749 0.871 1.00 0.17 H new ATOM 1479 N VAL C 40 -0.420 -1.569 -3.517 1.00 0.10 N ATOM 1480 CA VAL C 40 0.536 -1.319 -4.560 1.00 0.11 C ATOM 1481 C VAL C 40 1.308 -0.046 -4.271 1.00 0.10 C ATOM 1482 O VAL C 40 0.822 0.853 -3.593 1.00 0.10 O ATOM 1483 CB VAL C 40 -0.163 -1.205 -5.925 1.00 0.12 C ATOM 1484 CG1 VAL C 40 -1.107 -0.035 -5.933 1.00 0.11 C ATOM 1485 CG2 VAL C 40 0.842 -1.067 -7.048 1.00 0.13 C ATOM 0 H VAL C 40 -1.065 -0.799 -3.340 1.00 0.10 H new ATOM 0 HA VAL C 40 1.230 -2.159 -4.593 1.00 0.11 H new ATOM 0 HB VAL C 40 -0.729 -2.122 -6.087 1.00 0.12 H new ATOM 0 HG11 VAL C 40 -1.594 0.033 -6.906 1.00 0.11 H new ATOM 0 HG12 VAL C 40 -1.861 -0.171 -5.158 1.00 0.11 H new ATOM 0 HG13 VAL C 40 -0.551 0.883 -5.741 1.00 0.11 H new ATOM 0 HG21 VAL C 40 0.316 -0.989 -7.999 1.00 0.13 H new ATOM 0 HG22 VAL C 40 1.443 -0.171 -6.891 1.00 0.13 H new ATOM 0 HG23 VAL C 40 1.492 -1.942 -7.064 1.00 0.13 H new ATOM 1495 N GLY C 41 2.513 0.005 -4.764 1.00 0.10 N ATOM 1496 CA GLY C 41 3.300 1.194 -4.672 1.00 0.09 C ATOM 1497 C GLY C 41 3.797 1.606 -6.029 1.00 0.09 C ATOM 1498 O GLY C 41 3.706 0.839 -6.983 1.00 0.09 O ATOM 0 H GLY C 41 2.972 -0.773 -5.237 1.00 0.10 H new ATOM 0 HA2 GLY C 41 2.705 1.997 -4.237 1.00 0.09 H new ATOM 0 HA3 GLY C 41 4.145 1.026 -4.005 1.00 0.09 H new ATOM 1502 N SER C 42 4.338 2.796 -6.118 1.00 0.11 N ATOM 1503 CA SER C 42 4.869 3.286 -7.370 1.00 0.12 C ATOM 1504 C SER C 42 6.190 3.974 -7.105 1.00 0.15 C ATOM 1505 O SER C 42 6.282 4.908 -6.304 1.00 0.17 O ATOM 1506 CB SER C 42 3.879 4.215 -8.085 1.00 0.12 C ATOM 1507 OG SER C 42 4.353 4.586 -9.370 1.00 0.15 O ATOM 0 H SER C 42 4.423 3.446 -5.337 1.00 0.11 H new ATOM 0 HA SER C 42 5.032 2.443 -8.042 1.00 0.12 H new ATOM 0 HB2 SER C 42 2.914 3.717 -8.181 1.00 0.12 H new ATOM 0 HB3 SER C 42 3.717 5.109 -7.483 1.00 0.12 H new ATOM 0 HG SER C 42 3.700 5.176 -9.802 1.00 0.15 H new ATOM 1513 N LYS C 43 7.208 3.461 -7.749 1.00 0.16 N ATOM 1514 CA LYS C 43 8.570 3.888 -7.549 1.00 0.19 C ATOM 1515 C LYS C 43 8.838 5.181 -8.299 1.00 0.19 C ATOM 1516 O LYS C 43 8.981 5.178 -9.516 1.00 0.19 O ATOM 1517 CB LYS C 43 9.476 2.797 -8.072 1.00 0.20 C ATOM 1518 CG LYS C 43 10.919 2.991 -7.729 1.00 0.23 C ATOM 1519 CD LYS C 43 11.159 2.766 -6.260 1.00 0.28 C ATOM 1520 CE LYS C 43 12.561 3.138 -5.862 1.00 0.34 C ATOM 1521 NZ LYS C 43 13.583 2.550 -6.773 1.00 0.89 N ATOM 0 H LYS C 43 7.111 2.719 -8.442 1.00 0.16 H new ATOM 0 HA LYS C 43 8.753 4.068 -6.490 1.00 0.19 H new ATOM 0 HB2 LYS C 43 9.143 1.839 -7.672 1.00 0.20 H new ATOM 0 HB3 LYS C 43 9.374 2.742 -9.156 1.00 0.20 H new ATOM 0 HG2 LYS C 43 11.531 2.302 -8.311 1.00 0.23 H new ATOM 0 HG3 LYS C 43 11.229 4.000 -8.001 1.00 0.23 H new ATOM 0 HD2 LYS C 43 10.448 3.355 -5.681 1.00 0.28 H new ATOM 0 HD3 LYS C 43 10.978 1.719 -6.018 1.00 0.28 H new ATOM 0 HE2 LYS C 43 12.660 4.223 -5.861 1.00 0.34 H new ATOM 0 HE3 LYS C 43 12.749 2.800 -4.843 1.00 0.34 H new ATOM 0 HZ1 LYS C 43 14.526 2.644 -6.344 1.00 0.89 H new ATOM 0 HZ2 LYS C 43 13.372 1.544 -6.928 1.00 0.89 H new ATOM 0 HZ3 LYS C 43 13.566 3.052 -7.684 1.00 0.89 H new ATOM 1535 N THR C 44 8.946 6.273 -7.578 1.00 0.23 N ATOM 1536 CA THR C 44 8.954 7.585 -8.209 1.00 0.26 C ATOM 1537 C THR C 44 10.108 8.468 -7.714 1.00 0.34 C ATOM 1538 O THR C 44 11.143 7.967 -7.277 1.00 0.37 O ATOM 1539 CB THR C 44 7.628 8.329 -7.966 1.00 0.30 C ATOM 1540 OG1 THR C 44 7.543 8.737 -6.593 1.00 0.39 O ATOM 1541 CG2 THR C 44 6.421 7.472 -8.308 1.00 0.26 C ATOM 0 H THR C 44 9.029 6.286 -6.561 1.00 0.23 H new ATOM 0 HA THR C 44 9.088 7.402 -9.275 1.00 0.26 H new ATOM 0 HB THR C 44 7.619 9.200 -8.621 1.00 0.30 H new ATOM 0 HG1 THR C 44 6.698 9.211 -6.444 1.00 0.39 H new ATOM 0 HG21 THR C 44 5.508 8.038 -8.121 1.00 0.26 H new ATOM 0 HG22 THR C 44 6.463 7.188 -9.359 1.00 0.26 H new ATOM 0 HG23 THR C 44 6.425 6.575 -7.689 1.00 0.26 H new ATOM 1549 N LYS C 45 9.916 9.791 -7.795 1.00 0.40 N ATOM 1550 CA LYS C 45 10.921 10.757 -7.352 1.00 0.49 C ATOM 1551 C LYS C 45 11.115 10.732 -5.831 1.00 0.50 C ATOM 1552 O LYS C 45 12.228 10.913 -5.345 1.00 0.57 O ATOM 1553 CB LYS C 45 10.585 12.174 -7.856 1.00 0.59 C ATOM 1554 CG LYS C 45 9.095 12.516 -7.924 1.00 1.53 C ATOM 1555 CD LYS C 45 8.502 12.843 -6.563 1.00 2.10 C ATOM 1556 CE LYS C 45 7.044 13.261 -6.684 1.00 2.43 C ATOM 1557 NZ LYS C 45 6.464 13.667 -5.375 1.00 3.18 N ATOM 0 H LYS C 45 9.066 10.216 -8.167 1.00 0.40 H new ATOM 0 HA LYS C 45 11.872 10.460 -7.794 1.00 0.49 H new ATOM 0 HB2 LYS C 45 11.076 12.898 -7.205 1.00 0.59 H new ATOM 0 HB3 LYS C 45 11.013 12.297 -8.851 1.00 0.59 H new ATOM 0 HG2 LYS C 45 8.952 13.366 -8.591 1.00 1.53 H new ATOM 0 HG3 LYS C 45 8.554 11.676 -8.359 1.00 1.53 H new ATOM 0 HD2 LYS C 45 8.581 11.973 -5.911 1.00 2.10 H new ATOM 0 HD3 LYS C 45 9.075 13.644 -6.097 1.00 2.10 H new ATOM 0 HE2 LYS C 45 6.963 14.089 -7.388 1.00 2.43 H new ATOM 0 HE3 LYS C 45 6.464 12.435 -7.096 1.00 2.43 H new ATOM 0 HZ1 LYS C 45 5.580 14.191 -5.535 1.00 3.18 H new ATOM 0 HZ2 LYS C 45 6.266 12.820 -4.805 1.00 3.18 H new ATOM 0 HZ3 LYS C 45 7.140 14.274 -4.869 1.00 3.18 H new ATOM 1571 N GLU C 46 10.039 10.506 -5.082 1.00 0.47 N ATOM 1572 CA GLU C 46 10.164 10.247 -3.649 1.00 0.51 C ATOM 1573 C GLU C 46 10.579 8.799 -3.488 1.00 0.48 C ATOM 1574 O GLU C 46 11.274 8.413 -2.550 1.00 0.55 O ATOM 1575 CB GLU C 46 8.844 10.513 -2.923 1.00 0.51 C ATOM 1576 CG GLU C 46 8.443 11.978 -2.913 1.00 0.63 C ATOM 1577 CD GLU C 46 7.049 12.193 -2.368 1.00 0.73 C ATOM 1578 OE1 GLU C 46 6.089 12.139 -3.166 1.00 0.72 O ATOM 1579 OE2 GLU C 46 6.904 12.414 -1.150 1.00 0.88 O ATOM 0 H GLU C 46 9.083 10.497 -5.436 1.00 0.47 H new ATOM 0 HA GLU C 46 10.906 10.913 -3.209 1.00 0.51 H new ATOM 0 HB2 GLU C 46 8.054 9.931 -3.398 1.00 0.51 H new ATOM 0 HB3 GLU C 46 8.926 10.160 -1.895 1.00 0.51 H new ATOM 0 HG2 GLU C 46 9.156 12.542 -2.312 1.00 0.63 H new ATOM 0 HG3 GLU C 46 8.498 12.373 -3.927 1.00 0.63 H new ATOM 1586 N GLY C 47 10.103 8.017 -4.435 1.00 0.38 N ATOM 1587 CA GLY C 47 10.582 6.682 -4.662 1.00 0.40 C ATOM 1588 C GLY C 47 9.590 5.624 -4.273 1.00 0.31 C ATOM 1589 O GLY C 47 9.624 4.542 -4.817 1.00 0.38 O ATOM 0 H GLY C 47 9.361 8.302 -5.075 1.00 0.38 H new ATOM 0 HA2 GLY C 47 10.832 6.567 -5.717 1.00 0.40 H new ATOM 0 HA3 GLY C 47 11.503 6.532 -4.098 1.00 0.40 H new ATOM 1593 N VAL C 48 8.644 5.947 -3.413 1.00 0.21 N ATOM 1594 CA VAL C 48 7.601 4.994 -3.058 1.00 0.15 C ATOM 1595 C VAL C 48 6.329 5.719 -2.638 1.00 0.10 C ATOM 1596 O VAL C 48 6.348 6.539 -1.720 1.00 0.12 O ATOM 1597 CB VAL C 48 8.069 4.003 -1.948 1.00 0.15 C ATOM 1598 CG1 VAL C 48 6.908 3.268 -1.315 1.00 0.15 C ATOM 1599 CG2 VAL C 48 9.051 2.988 -2.504 1.00 0.20 C ATOM 0 H VAL C 48 8.572 6.852 -2.949 1.00 0.21 H new ATOM 0 HA VAL C 48 7.385 4.402 -3.947 1.00 0.15 H new ATOM 0 HB VAL C 48 8.557 4.606 -1.182 1.00 0.15 H new ATOM 0 HG11 VAL C 48 7.282 2.589 -0.548 1.00 0.15 H new ATOM 0 HG12 VAL C 48 6.226 3.987 -0.862 1.00 0.15 H new ATOM 0 HG13 VAL C 48 6.379 2.697 -2.078 1.00 0.15 H new ATOM 0 HG21 VAL C 48 9.361 2.309 -1.710 1.00 0.20 H new ATOM 0 HG22 VAL C 48 8.574 2.419 -3.302 1.00 0.20 H new ATOM 0 HG23 VAL C 48 9.924 3.506 -2.901 1.00 0.20 H new ATOM 1609 N VAL C 49 5.239 5.438 -3.335 1.00 0.09 N ATOM 1610 CA VAL C 49 3.929 5.925 -2.934 1.00 0.07 C ATOM 1611 C VAL C 49 3.026 4.747 -2.628 1.00 0.08 C ATOM 1612 O VAL C 49 3.129 3.701 -3.263 1.00 0.12 O ATOM 1613 CB VAL C 49 3.265 6.818 -4.007 1.00 0.07 C ATOM 1614 CG1 VAL C 49 3.027 6.044 -5.302 1.00 0.07 C ATOM 1615 CG2 VAL C 49 1.960 7.398 -3.470 1.00 0.09 C ATOM 0 H VAL C 49 5.236 4.873 -4.184 1.00 0.09 H new ATOM 0 HA VAL C 49 4.073 6.542 -2.047 1.00 0.07 H new ATOM 0 HB VAL C 49 3.943 7.639 -4.238 1.00 0.07 H new ATOM 0 HG11 VAL C 49 2.559 6.699 -6.037 1.00 0.07 H new ATOM 0 HG12 VAL C 49 3.979 5.684 -5.691 1.00 0.07 H new ATOM 0 HG13 VAL C 49 2.372 5.195 -5.104 1.00 0.07 H new ATOM 0 HG21 VAL C 49 1.500 8.026 -4.233 1.00 0.09 H new ATOM 0 HG22 VAL C 49 1.281 6.586 -3.210 1.00 0.09 H new ATOM 0 HG23 VAL C 49 2.166 7.997 -2.583 1.00 0.09 H new ATOM 1625 N HIS C 50 2.161 4.918 -1.655 1.00 0.08 N ATOM 1626 CA HIS C 50 1.272 3.857 -1.224 1.00 0.09 C ATOM 1627 C HIS C 50 -0.067 4.012 -1.919 1.00 0.07 C ATOM 1628 O HIS C 50 -0.778 4.999 -1.709 1.00 0.09 O ATOM 1629 CB HIS C 50 1.078 3.919 0.293 1.00 0.13 C ATOM 1630 CG HIS C 50 2.266 4.461 1.020 1.00 0.17 C ATOM 1631 ND1 HIS C 50 3.460 3.786 1.072 1.00 0.23 N ATOM 1632 CD2 HIS C 50 2.394 5.642 1.655 1.00 0.20 C ATOM 1633 CE1 HIS C 50 4.288 4.573 1.735 1.00 0.28 C ATOM 1634 NE2 HIS C 50 3.685 5.710 2.109 1.00 0.26 N ATOM 0 H HIS C 50 2.052 5.792 -1.140 1.00 0.08 H new ATOM 0 HA HIS C 50 1.709 2.893 -1.484 1.00 0.09 H new ATOM 0 HB2 HIS C 50 0.210 4.540 0.516 1.00 0.13 H new ATOM 0 HB3 HIS C 50 0.858 2.918 0.665 1.00 0.13 H new ATOM 0 HD2 HIS C 50 1.627 6.391 1.782 1.00 0.20 H new ATOM 0 HE1 HIS C 50 5.319 4.331 1.948 1.00 0.28 H new ATOM 0 HE2 HIS C 50 4.106 6.478 2.631 1.00 0.26 H new ATOM 1642 N GLY C 51 -0.392 3.063 -2.767 1.00 0.06 N ATOM 1643 CA GLY C 51 -1.653 3.097 -3.453 1.00 0.05 C ATOM 1644 C GLY C 51 -2.388 1.791 -3.326 1.00 0.06 C ATOM 1645 O GLY C 51 -1.942 0.885 -2.620 1.00 0.07 O ATOM 0 H GLY C 51 0.200 2.264 -2.994 1.00 0.06 H new ATOM 0 HA2 GLY C 51 -2.267 3.901 -3.048 1.00 0.05 H new ATOM 0 HA3 GLY C 51 -1.489 3.322 -4.507 1.00 0.05 H new ATOM 1649 N VAL C 52 -3.505 1.679 -4.013 1.00 0.07 N ATOM 1650 CA VAL C 52 -4.311 0.484 -3.925 1.00 0.08 C ATOM 1651 C VAL C 52 -4.862 0.101 -5.277 1.00 0.09 C ATOM 1652 O VAL C 52 -5.405 0.927 -5.999 1.00 0.09 O ATOM 1653 CB VAL C 52 -5.456 0.613 -2.870 1.00 0.08 C ATOM 1654 CG1 VAL C 52 -5.726 2.063 -2.485 1.00 0.08 C ATOM 1655 CG2 VAL C 52 -6.747 -0.018 -3.358 1.00 0.08 C ATOM 0 H VAL C 52 -3.873 2.398 -4.635 1.00 0.07 H new ATOM 0 HA VAL C 52 -3.654 -0.315 -3.582 1.00 0.08 H new ATOM 0 HB VAL C 52 -5.107 0.076 -1.988 1.00 0.08 H new ATOM 0 HG11 VAL C 52 -6.530 2.101 -1.750 1.00 0.08 H new ATOM 0 HG12 VAL C 52 -4.823 2.500 -2.059 1.00 0.08 H new ATOM 0 HG13 VAL C 52 -6.018 2.626 -3.371 1.00 0.08 H new ATOM 0 HG21 VAL C 52 -7.517 0.093 -2.595 1.00 0.08 H new ATOM 0 HG22 VAL C 52 -7.070 0.476 -4.274 1.00 0.08 H new ATOM 0 HG23 VAL C 52 -6.582 -1.077 -3.555 1.00 0.08 H new ATOM 1665 N ALA C 53 -4.707 -1.164 -5.606 1.00 0.10 N ATOM 1666 CA ALA C 53 -5.218 -1.695 -6.842 1.00 0.10 C ATOM 1667 C ALA C 53 -6.462 -2.492 -6.540 1.00 0.09 C ATOM 1668 O ALA C 53 -6.390 -3.574 -5.964 1.00 0.12 O ATOM 1669 CB ALA C 53 -4.178 -2.576 -7.510 1.00 0.11 C ATOM 0 H ALA C 53 -4.224 -1.848 -5.023 1.00 0.10 H new ATOM 0 HA ALA C 53 -5.455 -0.879 -7.525 1.00 0.10 H new ATOM 0 HB1 ALA C 53 -4.580 -2.970 -8.443 1.00 0.11 H new ATOM 0 HB2 ALA C 53 -3.284 -1.989 -7.719 1.00 0.11 H new ATOM 0 HB3 ALA C 53 -3.922 -3.403 -6.848 1.00 0.11 H new ATOM 1675 N THR C 54 -7.599 -1.961 -6.906 1.00 0.09 N ATOM 1676 CA THR C 54 -8.843 -2.615 -6.558 1.00 0.12 C ATOM 1677 C THR C 54 -9.188 -3.661 -7.604 1.00 0.19 C ATOM 1678 O THR C 54 -9.480 -3.351 -8.759 1.00 0.45 O ATOM 1679 CB THR C 54 -9.994 -1.609 -6.355 1.00 0.14 C ATOM 1680 OG1 THR C 54 -11.252 -2.288 -6.242 1.00 0.23 O ATOM 1681 CG2 THR C 54 -10.042 -0.604 -7.482 1.00 0.14 C ATOM 0 H THR C 54 -7.695 -1.094 -7.435 1.00 0.09 H new ATOM 0 HA THR C 54 -8.705 -3.115 -5.599 1.00 0.12 H new ATOM 0 HB THR C 54 -9.805 -1.073 -5.425 1.00 0.14 H new ATOM 0 HG1 THR C 54 -11.968 -1.631 -6.112 1.00 0.23 H new ATOM 0 HG21 THR C 54 -10.863 0.093 -7.313 1.00 0.14 H new ATOM 0 HG22 THR C 54 -9.101 -0.055 -7.520 1.00 0.14 H new ATOM 0 HG23 THR C 54 -10.196 -1.124 -8.427 1.00 0.14 H new ATOM 1689 N VAL C 55 -9.156 -4.903 -7.166 1.00 0.23 N ATOM 1690 CA VAL C 55 -9.243 -6.039 -8.051 1.00 0.29 C ATOM 1691 C VAL C 55 -10.594 -6.726 -7.939 1.00 0.36 C ATOM 1692 O VAL C 55 -11.044 -7.094 -6.849 1.00 0.35 O ATOM 1693 CB VAL C 55 -8.102 -7.041 -7.764 1.00 0.29 C ATOM 1694 CG1 VAL C 55 -7.964 -7.293 -6.265 1.00 0.23 C ATOM 1695 CG2 VAL C 55 -8.325 -8.345 -8.517 1.00 0.39 C ATOM 0 H VAL C 55 -9.068 -5.151 -6.180 1.00 0.23 H new ATOM 0 HA VAL C 55 -9.137 -5.673 -9.072 1.00 0.29 H new ATOM 0 HB VAL C 55 -7.169 -6.603 -8.118 1.00 0.29 H new ATOM 0 HG11 VAL C 55 -7.155 -8.001 -6.088 1.00 0.23 H new ATOM 0 HG12 VAL C 55 -7.742 -6.354 -5.757 1.00 0.23 H new ATOM 0 HG13 VAL C 55 -8.897 -7.703 -5.878 1.00 0.23 H new ATOM 0 HG21 VAL C 55 -7.509 -9.035 -8.300 1.00 0.39 H new ATOM 0 HG22 VAL C 55 -9.270 -8.789 -8.203 1.00 0.39 H new ATOM 0 HG23 VAL C 55 -8.356 -8.146 -9.588 1.00 0.39 H new ATOM 1705 N ALA C 56 -11.231 -6.893 -9.078 1.00 0.49 N ATOM 1706 CA ALA C 56 -12.521 -7.537 -9.151 1.00 0.64 C ATOM 1707 C ALA C 56 -12.342 -9.001 -9.532 1.00 0.75 C ATOM 1708 O ALA C 56 -12.191 -9.838 -8.619 1.00 1.43 O ATOM 1709 CB ALA C 56 -13.385 -6.809 -10.164 1.00 0.86 C ATOM 1710 OXT ALA C 56 -12.316 -9.302 -10.743 1.00 1.16 O ATOM 0 H ALA C 56 -10.867 -6.585 -9.980 1.00 0.49 H new ATOM 0 HA ALA C 56 -13.015 -7.498 -8.180 1.00 0.64 H new ATOM 0 HB1 ALA C 56 -14.361 -7.291 -10.223 1.00 0.86 H new ATOM 0 HB2 ALA C 56 -13.511 -5.771 -9.856 1.00 0.86 H new ATOM 0 HB3 ALA C 56 -12.904 -6.841 -11.142 1.00 0.86 H new TER 1716 ALA C 56