USER MOD reduce.3.24.130724 H: found=0, std=0, add=775, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 777 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 92:sc= -0.207 USER MOD Set 1.2: C 50 HIS : no HD1:sc= -2.11 K(o=-2.3,f=-2.8) USER MOD Set 2.1: B 39 SER OG : rot 180:sc= 0.149 USER MOD Set 2.2: B 40 GLN : amide:sc= 0.046 X(o=0.2,f=0.14) USER MOD Set 3.1: B 26 GLN : amide:sc= -0.438 K(o=-0.22,f=-2.2) USER MOD Set 3.2: B 55 GLN :FLIP amide:sc= 0.218 F(o=-4.3,f=-0.22) USER MOD Set 4.1: A 21 ASN : amide:sc= -1.57! K(o=-1.7!,f=-2.3) USER MOD Set 4.2: A 52 ASN :FLIP amide:sc= -0.174 F(o=-2.6,f=-1.7) USER MOD Set 5.1: A 35 HIS :FLIP no HD1:sc= 0.245 F(o=-0.046,f=0.52) USER MOD Set 5.2: B 23 ASN :FLIP amide:sc= 0.273 F(o=-0.003,f=0.52) USER MOD Single : A 18 TYR OH : rot 180:sc= -3.65! USER MOD Single : A 23 ASN : amide:sc= -3.19! C(o=-3.2!,f=-14!) USER MOD Single : A 26 GLN :FLIP amide:sc= -0.666 F(o=-6!,f=-0.67) USER MOD Single : A 32 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc= -4.11! C(o=-4.1!,f=-4.4!) USER MOD Single : A 41 SER OG : rot 113:sc= -1.85! USER MOD Single : A 43 ASN :FLIP amide:sc= -0.0224 F(o=-1.6!,f=-0.022) USER MOD Single : A 49 LYS NZ :NH3+ -110:sc= 1.26 (180deg=-0.497) USER MOD Single : A 50 LYS NZ :NH3+ 176:sc= 1.3 (180deg=1.18) USER MOD Single : A 55 GLN : amide:sc= -0.678 X(o=-0.68,f=-1.1) USER MOD Single : B 18 TYR OH : rot 180:sc=-0.00764 USER MOD Single : B 21 ASN : amide:sc= -2.49 K(o=-2.5,f=-5!) USER MOD Single : B 32 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 33 SER OG : rot 73:sc= 0.354 USER MOD Single : B 35 HIS : no HD1:sc= -0.175 X(o=-0.18,f=-0.38) USER MOD Single : B 41 SER OG : rot 133:sc= 0.401 USER MOD Single : B 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 49 LYS NZ :NH3+ 140:sc= -1.21 (180deg=-2.65!) USER MOD Single : B 50 LYS NZ :NH3+ -170:sc= -0.0428 (180deg=-0.249) USER MOD Single : B 52 ASN : amide:sc= -0.118 X(o=-0.12,f=0) USER MOD Single : C 42 SER OG : rot -149:sc= -0.372 USER MOD Single : C 43 LYS NZ :NH3+ 168:sc= -0.064 (180deg=-0.291) USER MOD Single : C 44 THR OG1 : rot 180:sc= 0.0883 USER MOD Single : C 45 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.000531) USER MOD Single : C 54 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 22 N GLU A 15 -7.786 -1.582 -10.800 1.00 0.31 N ATOM 23 CA GLU A 15 -7.350 -0.211 -11.023 1.00 0.18 C ATOM 24 C GLU A 15 -6.746 0.380 -9.760 1.00 0.13 C ATOM 25 O GLU A 15 -7.088 -0.026 -8.653 1.00 0.17 O ATOM 26 CB GLU A 15 -8.534 0.610 -11.507 1.00 0.24 C ATOM 27 CG GLU A 15 -9.515 0.962 -10.420 1.00 0.30 C ATOM 28 CD GLU A 15 -10.812 1.516 -10.963 1.00 0.58 C ATOM 29 OE1 GLU A 15 -10.786 2.580 -11.611 1.00 0.94 O ATOM 30 OE2 GLU A 15 -11.864 0.883 -10.741 1.00 1.58 O ATOM 0 HA GLU A 15 -6.571 -0.197 -11.785 1.00 0.18 H new ATOM 0 HB2 GLU A 15 -8.165 1.529 -11.962 1.00 0.24 H new ATOM 0 HB3 GLU A 15 -9.054 0.055 -12.287 1.00 0.24 H new ATOM 0 HG2 GLU A 15 -9.725 0.074 -9.824 1.00 0.30 H new ATOM 0 HG3 GLU A 15 -9.063 1.695 -9.752 1.00 0.30 H new ATOM 37 N ILE A 16 -5.859 1.342 -9.929 1.00 0.12 N ATOM 38 CA ILE A 16 -5.058 1.835 -8.823 1.00 0.11 C ATOM 39 C ILE A 16 -5.543 3.184 -8.321 1.00 0.10 C ATOM 40 O ILE A 16 -6.033 4.013 -9.086 1.00 0.14 O ATOM 41 CB ILE A 16 -3.580 1.997 -9.214 1.00 0.12 C ATOM 42 CG1 ILE A 16 -3.063 0.755 -9.933 1.00 0.13 C ATOM 43 CG2 ILE A 16 -2.742 2.272 -7.974 1.00 0.11 C ATOM 44 CD1 ILE A 16 -2.513 -0.283 -8.999 1.00 0.12 C ATOM 0 H ILE A 16 -5.674 1.799 -10.822 1.00 0.12 H new ATOM 0 HA ILE A 16 -5.161 1.086 -8.038 1.00 0.11 H new ATOM 0 HB ILE A 16 -3.498 2.842 -9.898 1.00 0.12 H new ATOM 0 HG12 ILE A 16 -3.873 0.317 -10.516 1.00 0.13 H new ATOM 0 HG13 ILE A 16 -2.285 1.049 -10.638 1.00 0.13 H new ATOM 0 HG21 ILE A 16 -1.696 2.386 -8.259 1.00 0.11 H new ATOM 0 HG22 ILE A 16 -3.089 3.188 -7.496 1.00 0.11 H new ATOM 0 HG23 ILE A 16 -2.840 1.440 -7.277 1.00 0.11 H new ATOM 0 HD11 ILE A 16 -2.162 -1.140 -9.574 1.00 0.12 H new ATOM 0 HD12 ILE A 16 -1.682 0.140 -8.434 1.00 0.12 H new ATOM 0 HD13 ILE A 16 -3.295 -0.603 -8.310 1.00 0.12 H new ATOM 56 N PHE A 17 -5.374 3.385 -7.029 1.00 0.09 N ATOM 57 CA PHE A 17 -5.690 4.635 -6.371 1.00 0.09 C ATOM 58 C PHE A 17 -4.642 4.925 -5.306 1.00 0.07 C ATOM 59 O PHE A 17 -4.565 4.219 -4.313 1.00 0.07 O ATOM 60 CB PHE A 17 -7.077 4.540 -5.742 1.00 0.09 C ATOM 61 CG PHE A 17 -8.163 4.386 -6.763 1.00 0.12 C ATOM 62 CD1 PHE A 17 -8.504 5.443 -7.588 1.00 1.11 C ATOM 63 CD2 PHE A 17 -8.830 3.184 -6.908 1.00 1.24 C ATOM 64 CE1 PHE A 17 -9.493 5.307 -8.541 1.00 1.09 C ATOM 65 CE2 PHE A 17 -9.823 3.040 -7.856 1.00 1.28 C ATOM 66 CZ PHE A 17 -10.155 4.103 -8.674 1.00 0.22 C ATOM 0 H PHE A 17 -5.007 2.672 -6.398 1.00 0.09 H new ATOM 0 HA PHE A 17 -5.688 5.448 -7.097 1.00 0.09 H new ATOM 0 HB2 PHE A 17 -7.104 3.692 -5.057 1.00 0.09 H new ATOM 0 HB3 PHE A 17 -7.265 5.435 -5.149 1.00 0.09 H new ATOM 0 HD1 PHE A 17 -7.989 6.387 -7.485 1.00 1.11 H new ATOM 0 HD2 PHE A 17 -8.572 2.349 -6.273 1.00 1.24 H new ATOM 0 HE1 PHE A 17 -9.748 6.139 -9.180 1.00 1.09 H new ATOM 0 HE2 PHE A 17 -10.340 2.097 -7.958 1.00 1.28 H new ATOM 0 HZ PHE A 17 -10.931 3.992 -9.416 1.00 0.22 H new ATOM 76 N TYR A 18 -3.813 5.932 -5.526 1.00 0.07 N ATOM 77 CA TYR A 18 -2.740 6.241 -4.587 1.00 0.06 C ATOM 78 C TYR A 18 -3.226 7.148 -3.466 1.00 0.07 C ATOM 79 O TYR A 18 -4.028 8.057 -3.691 1.00 0.09 O ATOM 80 CB TYR A 18 -1.561 6.892 -5.303 1.00 0.06 C ATOM 81 CG TYR A 18 -1.081 6.105 -6.496 1.00 0.06 C ATOM 82 CD1 TYR A 18 -0.270 4.982 -6.346 1.00 1.19 C ATOM 83 CD2 TYR A 18 -1.447 6.484 -7.776 1.00 1.15 C ATOM 84 CE1 TYR A 18 0.162 4.263 -7.447 1.00 1.20 C ATOM 85 CE2 TYR A 18 -1.025 5.776 -8.876 1.00 1.16 C ATOM 86 CZ TYR A 18 -0.224 4.670 -8.712 1.00 0.09 C ATOM 87 OH TYR A 18 0.193 3.976 -9.818 1.00 0.10 O ATOM 0 H TYR A 18 -3.859 6.547 -6.339 1.00 0.07 H new ATOM 0 HA TYR A 18 -2.412 5.298 -4.149 1.00 0.06 H new ATOM 0 HB2 TYR A 18 -1.849 7.892 -5.628 1.00 0.06 H new ATOM 0 HB3 TYR A 18 -0.737 7.010 -4.599 1.00 0.06 H new ATOM 0 HD1 TYR A 18 0.026 4.668 -5.356 1.00 1.19 H new ATOM 0 HD2 TYR A 18 -2.075 7.352 -7.913 1.00 1.15 H new ATOM 0 HE1 TYR A 18 0.792 3.395 -7.320 1.00 1.20 H new ATOM 0 HE2 TYR A 18 -1.322 6.087 -9.867 1.00 1.16 H new ATOM 0 HH TYR A 18 -0.171 4.397 -10.625 1.00 0.10 H new ATOM 97 N LEU A 19 -2.731 6.897 -2.259 1.00 0.07 N ATOM 98 CA LEU A 19 -3.060 7.716 -1.103 1.00 0.08 C ATOM 99 C LEU A 19 -1.773 8.207 -0.453 1.00 0.11 C ATOM 100 O LEU A 19 -1.432 7.787 0.649 1.00 0.12 O ATOM 101 CB LEU A 19 -3.850 6.930 -0.045 1.00 0.07 C ATOM 102 CG LEU A 19 -5.145 6.227 -0.484 1.00 0.07 C ATOM 103 CD1 LEU A 19 -6.064 7.173 -1.232 1.00 0.08 C ATOM 104 CD2 LEU A 19 -4.860 4.980 -1.301 1.00 0.08 C ATOM 0 H LEU A 19 -2.095 6.125 -2.057 1.00 0.07 H new ATOM 0 HA LEU A 19 -3.674 8.545 -1.456 1.00 0.08 H new ATOM 0 HB2 LEU A 19 -3.186 6.174 0.374 1.00 0.07 H new ATOM 0 HB3 LEU A 19 -4.101 7.617 0.763 1.00 0.07 H new ATOM 0 HG LEU A 19 -5.660 5.911 0.423 1.00 0.07 H new ATOM 0 HD11 LEU A 19 -6.969 6.643 -1.527 1.00 0.08 H new ATOM 0 HD12 LEU A 19 -6.328 8.010 -0.586 1.00 0.08 H new ATOM 0 HD13 LEU A 19 -5.556 7.547 -2.121 1.00 0.08 H new ATOM 0 HD21 LEU A 19 -5.801 4.513 -1.592 1.00 0.08 H new ATOM 0 HD22 LEU A 19 -4.298 5.251 -2.195 1.00 0.08 H new ATOM 0 HD23 LEU A 19 -4.276 4.279 -0.704 1.00 0.08 H new ATOM 116 N PRO A 20 -1.049 9.128 -1.102 1.00 0.13 N ATOM 117 CA PRO A 20 0.254 9.586 -0.610 1.00 0.16 C ATOM 118 C PRO A 20 0.131 10.559 0.550 1.00 0.22 C ATOM 119 O PRO A 20 1.125 11.107 1.031 1.00 0.28 O ATOM 120 CB PRO A 20 0.836 10.304 -1.817 1.00 0.16 C ATOM 121 CG PRO A 20 -0.357 10.839 -2.532 1.00 0.16 C ATOM 122 CD PRO A 20 -1.433 9.804 -2.357 1.00 0.13 C ATOM 0 HA PRO A 20 0.859 8.761 -0.233 1.00 0.16 H new ATOM 0 HB2 PRO A 20 1.513 11.104 -1.517 1.00 0.16 H new ATOM 0 HB3 PRO A 20 1.407 9.623 -2.448 1.00 0.16 H new ATOM 0 HG2 PRO A 20 -0.665 11.798 -2.116 1.00 0.16 H new ATOM 0 HG3 PRO A 20 -0.140 11.004 -3.587 1.00 0.16 H new ATOM 0 HD2 PRO A 20 -2.421 10.259 -2.284 1.00 0.13 H new ATOM 0 HD3 PRO A 20 -1.463 9.109 -3.196 1.00 0.13 H new ATOM 130 N ASN A 21 -1.089 10.760 1.004 1.00 0.22 N ATOM 131 CA ASN A 21 -1.354 11.767 2.013 1.00 0.27 C ATOM 132 C ASN A 21 -1.480 11.113 3.364 1.00 0.25 C ATOM 133 O ASN A 21 -1.117 11.679 4.392 1.00 0.31 O ATOM 134 CB ASN A 21 -2.641 12.525 1.685 1.00 0.30 C ATOM 135 CG ASN A 21 -2.545 13.312 0.392 1.00 0.54 C ATOM 136 OD1 ASN A 21 -1.462 13.712 -0.032 1.00 1.15 O ATOM 137 ND2 ASN A 21 -3.683 13.560 -0.235 1.00 0.35 N ATOM 0 H ASN A 21 -1.911 10.242 0.692 1.00 0.22 H new ATOM 0 HA ASN A 21 -0.525 12.474 2.028 1.00 0.27 H new ATOM 0 HB2 ASN A 21 -3.466 11.817 1.614 1.00 0.30 H new ATOM 0 HB3 ASN A 21 -2.875 13.206 2.503 1.00 0.30 H new ATOM 0 HD21 ASN A 21 -3.681 14.100 -1.101 1.00 0.35 H new ATOM 0 HD22 ASN A 21 -4.562 13.212 0.147 1.00 0.35 H new ATOM 144 N LEU A 22 -1.950 9.887 3.330 1.00 0.18 N ATOM 145 CA LEU A 22 -2.321 9.168 4.529 1.00 0.17 C ATOM 146 C LEU A 22 -1.066 8.626 5.200 1.00 0.20 C ATOM 147 O LEU A 22 -0.298 7.894 4.581 1.00 0.35 O ATOM 148 CB LEU A 22 -3.289 8.040 4.143 1.00 0.14 C ATOM 149 CG LEU A 22 -4.393 8.480 3.171 1.00 0.11 C ATOM 150 CD1 LEU A 22 -5.415 7.380 2.921 1.00 0.09 C ATOM 151 CD2 LEU A 22 -5.075 9.727 3.687 1.00 0.11 C ATOM 0 H LEU A 22 -2.086 9.358 2.468 1.00 0.18 H new ATOM 0 HA LEU A 22 -2.821 9.827 5.239 1.00 0.17 H new ATOM 0 HB2 LEU A 22 -2.722 7.226 3.691 1.00 0.14 H new ATOM 0 HB3 LEU A 22 -3.750 7.644 5.048 1.00 0.14 H new ATOM 0 HG LEU A 22 -3.917 8.698 2.215 1.00 0.11 H new ATOM 0 HD11 LEU A 22 -6.175 7.740 2.227 1.00 0.09 H new ATOM 0 HD12 LEU A 22 -4.916 6.510 2.493 1.00 0.09 H new ATOM 0 HD13 LEU A 22 -5.887 7.101 3.863 1.00 0.09 H new ATOM 0 HD21 LEU A 22 -5.856 10.030 2.989 1.00 0.11 H new ATOM 0 HD22 LEU A 22 -5.518 9.523 4.662 1.00 0.11 H new ATOM 0 HD23 LEU A 22 -4.343 10.529 3.782 1.00 0.11 H new ATOM 163 N ASN A 23 -0.831 9.024 6.446 1.00 0.17 N ATOM 164 CA ASN A 23 0.346 8.562 7.168 1.00 0.20 C ATOM 165 C ASN A 23 0.273 7.058 7.387 1.00 0.24 C ATOM 166 O ASN A 23 -0.799 6.471 7.227 1.00 0.34 O ATOM 167 CB ASN A 23 0.533 9.322 8.484 1.00 0.33 C ATOM 168 CG ASN A 23 -0.508 9.040 9.538 1.00 0.66 C ATOM 169 OD1 ASN A 23 -0.999 7.927 9.705 1.00 1.47 O ATOM 170 ND2 ASN A 23 -0.843 10.079 10.252 1.00 0.99 N ATOM 0 H ASN A 23 -1.433 9.658 6.971 1.00 0.17 H new ATOM 0 HA ASN A 23 1.226 8.771 6.560 1.00 0.20 H new ATOM 0 HB2 ASN A 23 1.515 9.078 8.890 1.00 0.33 H new ATOM 0 HB3 ASN A 23 0.533 10.391 8.272 1.00 0.33 H new ATOM 0 HD21 ASN A 23 -1.543 9.988 10.989 1.00 0.99 H new ATOM 0 HD22 ASN A 23 -0.405 10.983 10.074 1.00 0.99 H new ATOM 177 N PRO A 24 1.399 6.408 7.715 1.00 0.22 N ATOM 178 CA PRO A 24 1.460 4.952 7.885 1.00 0.23 C ATOM 179 C PRO A 24 0.292 4.388 8.695 1.00 0.23 C ATOM 180 O PRO A 24 -0.251 3.337 8.361 1.00 0.23 O ATOM 181 CB PRO A 24 2.774 4.761 8.638 1.00 0.25 C ATOM 182 CG PRO A 24 3.636 5.853 8.122 1.00 0.24 C ATOM 183 CD PRO A 24 2.719 7.032 7.938 1.00 0.22 C ATOM 0 HA PRO A 24 1.402 4.428 6.931 1.00 0.23 H new ATOM 0 HB2 PRO A 24 2.633 4.838 9.716 1.00 0.25 H new ATOM 0 HB3 PRO A 24 3.209 3.781 8.442 1.00 0.25 H new ATOM 0 HG2 PRO A 24 4.438 6.085 8.823 1.00 0.24 H new ATOM 0 HG3 PRO A 24 4.107 5.571 7.180 1.00 0.24 H new ATOM 0 HD2 PRO A 24 2.715 7.678 8.816 1.00 0.22 H new ATOM 0 HD3 PRO A 24 3.021 7.647 7.090 1.00 0.22 H new ATOM 191 N ASP A 25 -0.113 5.105 9.734 1.00 0.22 N ATOM 192 CA ASP A 25 -1.186 4.635 10.608 1.00 0.23 C ATOM 193 C ASP A 25 -2.519 4.635 9.867 1.00 0.24 C ATOM 194 O ASP A 25 -3.264 3.653 9.902 1.00 0.27 O ATOM 195 CB ASP A 25 -1.287 5.502 11.865 1.00 0.28 C ATOM 196 CG ASP A 25 -2.409 5.057 12.783 1.00 0.97 C ATOM 197 OD1 ASP A 25 -2.175 4.173 13.635 1.00 1.67 O ATOM 198 OD2 ASP A 25 -3.530 5.587 12.658 1.00 1.66 O ATOM 0 H ASP A 25 0.281 6.009 9.994 1.00 0.22 H new ATOM 0 HA ASP A 25 -0.949 3.615 10.910 1.00 0.23 H new ATOM 0 HB2 ASP A 25 -0.342 5.465 12.406 1.00 0.28 H new ATOM 0 HB3 ASP A 25 -1.448 6.540 11.575 1.00 0.28 H new ATOM 203 N GLN A 26 -2.798 5.737 9.183 1.00 0.23 N ATOM 204 CA GLN A 26 -4.006 5.867 8.373 1.00 0.25 C ATOM 205 C GLN A 26 -3.985 4.838 7.249 1.00 0.25 C ATOM 206 O GLN A 26 -4.954 4.116 7.021 1.00 0.26 O ATOM 207 CB GLN A 26 -4.073 7.262 7.752 1.00 0.26 C ATOM 208 CG GLN A 26 -3.764 8.393 8.717 1.00 0.29 C ATOM 209 CD GLN A 26 -4.947 8.834 9.559 1.00 0.31 C ATOM 210 OE1 GLN A 26 -6.140 8.768 8.993 1.00 0.59 O flip ATOM 211 NE2 GLN A 26 -4.784 9.264 10.699 1.00 0.21 N flip ATOM 0 H GLN A 26 -2.199 6.562 9.173 1.00 0.23 H new ATOM 0 HA GLN A 26 -4.873 5.706 9.014 1.00 0.25 H new ATOM 0 HB2 GLN A 26 -3.372 7.310 6.919 1.00 0.26 H new ATOM 0 HB3 GLN A 26 -5.070 7.415 7.339 1.00 0.26 H new ATOM 0 HG2 GLN A 26 -2.957 8.080 9.380 1.00 0.29 H new ATOM 0 HG3 GLN A 26 -3.397 9.249 8.150 1.00 0.29 H new ATOM 0 HE21 GLN A 26 -3.848 9.299 11.102 1.00 0.21 H new ATOM 0 HE22 GLN A 26 -5.585 9.585 11.242 1.00 0.21 H new ATOM 220 N LEU A 27 -2.859 4.799 6.551 1.00 0.24 N ATOM 221 CA LEU A 27 -2.656 3.898 5.422 1.00 0.25 C ATOM 222 C LEU A 27 -2.810 2.432 5.839 1.00 0.23 C ATOM 223 O LEU A 27 -3.411 1.634 5.120 1.00 0.25 O ATOM 224 CB LEU A 27 -1.262 4.160 4.832 1.00 0.28 C ATOM 225 CG LEU A 27 -1.143 4.141 3.312 1.00 0.15 C ATOM 226 CD1 LEU A 27 -2.488 3.945 2.626 1.00 0.17 C ATOM 227 CD2 LEU A 27 -0.505 5.436 2.877 1.00 0.23 C ATOM 0 H LEU A 27 -2.055 5.394 6.752 1.00 0.24 H new ATOM 0 HA LEU A 27 -3.418 4.091 4.667 1.00 0.25 H new ATOM 0 HB2 LEU A 27 -0.920 5.132 5.187 1.00 0.28 H new ATOM 0 HB3 LEU A 27 -0.577 3.414 5.236 1.00 0.28 H new ATOM 0 HG LEU A 27 -0.527 3.291 3.017 1.00 0.15 H new ATOM 0 HD11 LEU A 27 -2.348 3.939 1.545 1.00 0.17 H new ATOM 0 HD12 LEU A 27 -2.922 2.996 2.941 1.00 0.17 H new ATOM 0 HD13 LEU A 27 -3.158 4.759 2.900 1.00 0.17 H new ATOM 0 HD21 LEU A 27 -0.408 5.447 1.791 1.00 0.23 H new ATOM 0 HD22 LEU A 27 -1.127 6.273 3.195 1.00 0.23 H new ATOM 0 HD23 LEU A 27 0.482 5.525 3.330 1.00 0.23 H new ATOM 239 N CYS A 28 -2.282 2.091 7.009 1.00 0.21 N ATOM 240 CA CYS A 28 -2.395 0.735 7.539 1.00 0.22 C ATOM 241 C CYS A 28 -3.847 0.398 7.853 1.00 0.21 C ATOM 242 O CYS A 28 -4.294 -0.734 7.650 1.00 0.22 O ATOM 243 CB CYS A 28 -1.545 0.586 8.805 1.00 0.26 C ATOM 244 SG CYS A 28 -1.561 -1.089 9.528 1.00 0.32 S ATOM 0 H CYS A 28 -1.770 2.736 7.611 1.00 0.21 H new ATOM 0 HA CYS A 28 -2.031 0.043 6.780 1.00 0.22 H new ATOM 0 HB2 CYS A 28 -0.516 0.858 8.571 1.00 0.26 H new ATOM 0 HB3 CYS A 28 -1.900 1.295 9.553 1.00 0.26 H new ATOM 249 N ALA A 29 -4.584 1.398 8.322 1.00 0.21 N ATOM 250 CA ALA A 29 -5.966 1.210 8.738 1.00 0.22 C ATOM 251 C ALA A 29 -6.841 0.739 7.584 1.00 0.17 C ATOM 252 O ALA A 29 -7.784 -0.027 7.790 1.00 0.18 O ATOM 253 CB ALA A 29 -6.520 2.499 9.326 1.00 0.24 C ATOM 0 H ALA A 29 -4.243 2.354 8.424 1.00 0.21 H new ATOM 0 HA ALA A 29 -5.979 0.433 9.503 1.00 0.22 H new ATOM 0 HB1 ALA A 29 -7.554 2.344 9.633 1.00 0.24 H new ATOM 0 HB2 ALA A 29 -5.924 2.790 10.191 1.00 0.24 H new ATOM 0 HB3 ALA A 29 -6.479 3.288 8.576 1.00 0.24 H new ATOM 259 N PHE A 30 -6.517 1.182 6.369 1.00 0.13 N ATOM 260 CA PHE A 30 -7.336 0.856 5.211 1.00 0.10 C ATOM 261 C PHE A 30 -7.381 -0.654 4.976 1.00 0.09 C ATOM 262 O PHE A 30 -8.450 -1.252 5.060 1.00 0.09 O ATOM 263 CB PHE A 30 -6.801 1.610 3.969 1.00 0.10 C ATOM 264 CG PHE A 30 -7.229 1.060 2.621 1.00 0.07 C ATOM 265 CD1 PHE A 30 -8.406 0.345 2.468 1.00 1.16 C ATOM 266 CD2 PHE A 30 -6.430 1.251 1.503 1.00 1.18 C ATOM 267 CE1 PHE A 30 -8.773 -0.169 1.241 1.00 1.15 C ATOM 268 CE2 PHE A 30 -6.799 0.740 0.276 1.00 1.18 C ATOM 269 CZ PHE A 30 -7.968 0.030 0.147 1.00 0.06 C ATOM 0 H PHE A 30 -5.702 1.761 6.166 1.00 0.13 H new ATOM 0 HA PHE A 30 -8.360 1.178 5.398 1.00 0.10 H new ATOM 0 HB2 PHE A 30 -7.122 2.650 4.034 1.00 0.10 H new ATOM 0 HB3 PHE A 30 -5.712 1.610 4.010 1.00 0.10 H new ATOM 0 HD1 PHE A 30 -9.047 0.187 3.323 1.00 1.16 H new ATOM 0 HD2 PHE A 30 -5.508 1.806 1.594 1.00 1.18 H new ATOM 0 HE1 PHE A 30 -9.692 -0.727 1.142 1.00 1.15 H new ATOM 0 HE2 PHE A 30 -6.167 0.898 -0.585 1.00 1.18 H new ATOM 0 HZ PHE A 30 -8.253 -0.371 -0.814 1.00 0.06 H new ATOM 279 N PHE A 31 -6.231 -1.286 4.778 1.00 0.10 N ATOM 280 CA PHE A 31 -6.220 -2.704 4.422 1.00 0.10 C ATOM 281 C PHE A 31 -6.499 -3.567 5.640 1.00 0.11 C ATOM 282 O PHE A 31 -6.855 -4.732 5.513 1.00 0.12 O ATOM 283 CB PHE A 31 -4.904 -3.140 3.786 1.00 0.11 C ATOM 284 CG PHE A 31 -4.425 -2.266 2.658 1.00 0.11 C ATOM 285 CD1 PHE A 31 -3.637 -1.153 2.905 1.00 0.98 C ATOM 286 CD2 PHE A 31 -4.748 -2.574 1.346 1.00 0.94 C ATOM 287 CE1 PHE A 31 -3.184 -0.362 1.864 1.00 0.98 C ATOM 288 CE2 PHE A 31 -4.300 -1.786 0.303 1.00 0.94 C ATOM 289 CZ PHE A 31 -3.517 -0.680 0.561 1.00 0.12 C ATOM 0 H PHE A 31 -5.311 -0.853 4.855 1.00 0.10 H new ATOM 0 HA PHE A 31 -7.010 -2.840 3.683 1.00 0.10 H new ATOM 0 HB2 PHE A 31 -4.135 -3.166 4.558 1.00 0.11 H new ATOM 0 HB3 PHE A 31 -5.017 -4.159 3.414 1.00 0.11 H new ATOM 0 HD1 PHE A 31 -3.374 -0.900 3.921 1.00 0.98 H new ATOM 0 HD2 PHE A 31 -5.357 -3.441 1.136 1.00 0.94 H new ATOM 0 HE1 PHE A 31 -2.571 0.503 2.070 1.00 0.98 H new ATOM 0 HE2 PHE A 31 -4.563 -2.036 -0.714 1.00 0.94 H new ATOM 0 HZ PHE A 31 -3.165 -0.064 -0.253 1.00 0.12 H new ATOM 299 N HIS A 32 -6.313 -2.995 6.819 1.00 0.11 N ATOM 300 CA HIS A 32 -6.521 -3.721 8.069 1.00 0.12 C ATOM 301 C HIS A 32 -7.963 -4.216 8.147 1.00 0.12 C ATOM 302 O HIS A 32 -8.231 -5.336 8.578 1.00 0.15 O ATOM 303 CB HIS A 32 -6.207 -2.813 9.265 1.00 0.15 C ATOM 304 CG HIS A 32 -6.250 -3.510 10.591 1.00 0.23 C ATOM 305 ND1 HIS A 32 -7.260 -3.323 11.512 1.00 1.09 N ATOM 306 CD2 HIS A 32 -5.387 -4.385 11.158 1.00 1.05 C ATOM 307 CE1 HIS A 32 -7.015 -4.052 12.585 1.00 0.81 C ATOM 308 NE2 HIS A 32 -5.884 -4.705 12.394 1.00 0.65 N ATOM 0 H HIS A 32 -6.017 -2.026 6.940 1.00 0.11 H new ATOM 0 HA HIS A 32 -5.850 -4.580 8.097 1.00 0.12 H new ATOM 0 HB2 HIS A 32 -5.217 -2.378 9.127 1.00 0.15 H new ATOM 0 HB3 HIS A 32 -6.919 -1.988 9.277 1.00 0.15 H new ATOM 0 HD2 HIS A 32 -4.475 -4.761 10.718 1.00 1.05 H new ATOM 0 HE1 HIS A 32 -7.634 -4.105 13.468 1.00 0.81 H new ATOM 0 HE2 HIS A 32 -5.450 -5.345 13.059 1.00 0.65 H new ATOM 317 N SER A 33 -8.875 -3.361 7.719 1.00 0.11 N ATOM 318 CA SER A 33 -10.289 -3.688 7.671 1.00 0.13 C ATOM 319 C SER A 33 -10.560 -4.596 6.484 1.00 0.12 C ATOM 320 O SER A 33 -11.301 -5.574 6.566 1.00 0.14 O ATOM 321 CB SER A 33 -11.105 -2.401 7.548 1.00 0.15 C ATOM 322 OG SER A 33 -10.779 -1.496 8.590 1.00 0.22 O ATOM 0 H SER A 33 -8.656 -2.419 7.395 1.00 0.11 H new ATOM 0 HA SER A 33 -10.578 -4.206 8.586 1.00 0.13 H new ATOM 0 HB2 SER A 33 -10.913 -1.934 6.582 1.00 0.15 H new ATOM 0 HB3 SER A 33 -12.169 -2.635 7.583 1.00 0.15 H new ATOM 0 HG SER A 33 -11.311 -0.679 8.492 1.00 0.22 H new ATOM 328 N VAL A 34 -9.926 -4.236 5.382 1.00 0.10 N ATOM 329 CA VAL A 34 -10.079 -4.922 4.110 1.00 0.11 C ATOM 330 C VAL A 34 -9.675 -6.379 4.189 1.00 0.13 C ATOM 331 O VAL A 34 -10.427 -7.262 3.813 1.00 0.15 O ATOM 332 CB VAL A 34 -9.209 -4.266 3.030 1.00 0.10 C ATOM 333 CG1 VAL A 34 -9.412 -4.939 1.713 1.00 0.13 C ATOM 334 CG2 VAL A 34 -9.504 -2.805 2.893 1.00 0.08 C ATOM 0 H VAL A 34 -9.281 -3.447 5.345 1.00 0.10 H new ATOM 0 HA VAL A 34 -11.137 -4.851 3.858 1.00 0.11 H new ATOM 0 HB VAL A 34 -8.170 -4.379 3.341 1.00 0.10 H new ATOM 0 HG11 VAL A 34 -8.787 -4.460 0.959 1.00 0.13 H new ATOM 0 HG12 VAL A 34 -9.139 -5.991 1.796 1.00 0.13 H new ATOM 0 HG13 VAL A 34 -10.459 -4.858 1.421 1.00 0.13 H new ATOM 0 HG21 VAL A 34 -8.868 -2.376 2.119 1.00 0.08 H new ATOM 0 HG22 VAL A 34 -10.550 -2.669 2.619 1.00 0.08 H new ATOM 0 HG23 VAL A 34 -9.309 -2.304 3.841 1.00 0.08 H new ATOM 344 N HIS A 35 -8.475 -6.618 4.662 1.00 0.14 N ATOM 345 CA HIS A 35 -7.909 -7.958 4.637 1.00 0.17 C ATOM 346 C HIS A 35 -8.666 -8.891 5.571 1.00 0.18 C ATOM 347 O HIS A 35 -8.728 -10.098 5.340 1.00 0.21 O ATOM 348 CB HIS A 35 -6.421 -7.918 4.970 1.00 0.20 C ATOM 349 CG HIS A 35 -5.744 -9.253 4.897 1.00 0.36 C ATOM 350 ND1 HIS A 35 -5.290 -9.959 3.834 1.00 1.40 N flip ATOM 351 CD2 HIS A 35 -5.460 -10.015 6.009 1.00 0.85 C flip ATOM 352 CE1 HIS A 35 -4.746 -11.120 4.322 1.00 1.25 C flip ATOM 353 NE2 HIS A 35 -4.859 -11.129 5.635 1.00 0.55 N flip ATOM 0 H HIS A 35 -7.867 -5.907 5.070 1.00 0.14 H new ATOM 0 HA HIS A 35 -8.015 -8.355 3.628 1.00 0.17 H new ATOM 0 HB2 HIS A 35 -5.924 -7.232 4.284 1.00 0.20 H new ATOM 0 HB3 HIS A 35 -6.295 -7.512 5.974 1.00 0.20 H new ATOM 0 HD2 HIS A 35 -5.693 -9.743 7.028 1.00 0.85 H new ATOM 0 HE1 HIS A 35 -4.297 -11.901 3.726 1.00 1.25 H new ATOM 0 HE2 HIS A 35 -4.537 -11.871 6.257 1.00 0.55 H new ATOM 362 N ASP A 36 -9.229 -8.327 6.626 1.00 0.17 N ATOM 363 CA ASP A 36 -10.071 -9.089 7.539 1.00 0.18 C ATOM 364 C ASP A 36 -11.318 -9.596 6.824 1.00 0.19 C ATOM 365 O ASP A 36 -11.895 -10.619 7.198 1.00 0.21 O ATOM 366 CB ASP A 36 -10.472 -8.239 8.747 1.00 0.20 C ATOM 367 CG ASP A 36 -11.416 -8.972 9.681 1.00 0.65 C ATOM 368 OD1 ASP A 36 -10.953 -9.875 10.411 1.00 1.26 O ATOM 369 OD2 ASP A 36 -12.625 -8.653 9.686 1.00 1.51 O ATOM 0 H ASP A 36 -9.120 -7.344 6.874 1.00 0.17 H new ATOM 0 HA ASP A 36 -9.495 -9.945 7.891 1.00 0.18 H new ATOM 0 HB2 ASP A 36 -9.577 -7.947 9.296 1.00 0.20 H new ATOM 0 HB3 ASP A 36 -10.948 -7.321 8.401 1.00 0.20 H new ATOM 374 N ASP A 37 -11.712 -8.888 5.778 1.00 0.19 N ATOM 375 CA ASP A 37 -12.962 -9.169 5.085 1.00 0.24 C ATOM 376 C ASP A 37 -13.013 -8.386 3.781 1.00 0.23 C ATOM 377 O ASP A 37 -13.495 -7.255 3.738 1.00 0.25 O ATOM 378 CB ASP A 37 -14.155 -8.793 5.959 1.00 0.31 C ATOM 379 CG ASP A 37 -15.409 -9.545 5.576 1.00 0.53 C ATOM 380 OD1 ASP A 37 -15.946 -9.316 4.472 1.00 1.28 O ATOM 381 OD2 ASP A 37 -15.864 -10.384 6.383 1.00 1.18 O ATOM 0 H ASP A 37 -11.181 -8.109 5.387 1.00 0.19 H new ATOM 0 HA ASP A 37 -13.010 -10.237 4.870 1.00 0.24 H new ATOM 0 HB2 ASP A 37 -13.916 -8.998 7.003 1.00 0.31 H new ATOM 0 HB3 ASP A 37 -14.338 -7.722 5.878 1.00 0.31 H new ATOM 386 N PRO A 38 -12.496 -8.974 2.700 1.00 0.23 N ATOM 387 CA PRO A 38 -12.343 -8.301 1.398 1.00 0.25 C ATOM 388 C PRO A 38 -13.672 -7.917 0.734 1.00 0.29 C ATOM 389 O PRO A 38 -13.690 -7.434 -0.399 1.00 0.34 O ATOM 390 CB PRO A 38 -11.583 -9.330 0.550 1.00 0.28 C ATOM 391 CG PRO A 38 -10.977 -10.261 1.543 1.00 0.28 C ATOM 392 CD PRO A 38 -11.974 -10.347 2.654 1.00 0.26 C ATOM 0 HA PRO A 38 -11.827 -7.347 1.509 1.00 0.25 H new ATOM 0 HB2 PRO A 38 -12.253 -9.856 -0.129 1.00 0.28 H new ATOM 0 HB3 PRO A 38 -10.819 -8.852 -0.063 1.00 0.28 H new ATOM 0 HG2 PRO A 38 -10.791 -11.241 1.103 1.00 0.28 H new ATOM 0 HG3 PRO A 38 -10.018 -9.886 1.901 1.00 0.28 H new ATOM 0 HD2 PRO A 38 -12.758 -11.075 2.444 1.00 0.26 H new ATOM 0 HD3 PRO A 38 -11.511 -10.640 3.596 1.00 0.26 H new ATOM 400 N SER A 39 -14.778 -8.137 1.425 1.00 0.28 N ATOM 401 CA SER A 39 -16.088 -7.783 0.901 1.00 0.33 C ATOM 402 C SER A 39 -16.322 -6.266 0.969 1.00 0.36 C ATOM 403 O SER A 39 -17.163 -5.734 0.246 1.00 0.59 O ATOM 404 CB SER A 39 -17.174 -8.524 1.686 1.00 0.34 C ATOM 405 OG SER A 39 -18.453 -8.387 1.086 1.00 1.19 O ATOM 0 H SER A 39 -14.795 -8.560 2.353 1.00 0.28 H new ATOM 0 HA SER A 39 -16.133 -8.080 -0.147 1.00 0.33 H new ATOM 0 HB2 SER A 39 -16.916 -9.581 1.752 1.00 0.34 H new ATOM 0 HB3 SER A 39 -17.209 -8.141 2.706 1.00 0.34 H new ATOM 0 HG SER A 39 -19.117 -8.875 1.616 1.00 1.19 H new ATOM 411 N GLN A 40 -15.569 -5.572 1.826 1.00 0.22 N ATOM 412 CA GLN A 40 -15.777 -4.135 2.048 1.00 0.21 C ATOM 413 C GLN A 40 -14.637 -3.286 1.499 1.00 0.16 C ATOM 414 O GLN A 40 -14.685 -2.065 1.561 1.00 0.16 O ATOM 415 CB GLN A 40 -15.921 -3.847 3.531 1.00 0.23 C ATOM 416 CG GLN A 40 -14.886 -4.564 4.381 1.00 0.21 C ATOM 417 CD GLN A 40 -15.503 -5.633 5.258 1.00 0.67 C ATOM 418 OE1 GLN A 40 -15.039 -5.888 6.366 1.00 1.09 O ATOM 419 NE2 GLN A 40 -16.550 -6.271 4.763 1.00 0.97 N ATOM 0 H GLN A 40 -14.812 -5.978 2.376 1.00 0.22 H new ATOM 0 HA GLN A 40 -16.689 -3.870 1.514 1.00 0.21 H new ATOM 0 HB2 GLN A 40 -15.837 -2.773 3.696 1.00 0.23 H new ATOM 0 HB3 GLN A 40 -16.918 -4.143 3.857 1.00 0.23 H new ATOM 0 HG2 GLN A 40 -14.137 -5.018 3.732 1.00 0.21 H new ATOM 0 HG3 GLN A 40 -14.367 -3.838 5.007 1.00 0.21 H new ATOM 0 HE21 GLN A 40 -16.904 -6.028 3.838 1.00 0.97 H new ATOM 0 HE22 GLN A 40 -17.003 -7.006 5.306 1.00 0.97 H new ATOM 428 N SER A 41 -13.615 -3.949 1.012 1.00 0.15 N ATOM 429 CA SER A 41 -12.440 -3.322 0.418 1.00 0.13 C ATOM 430 C SER A 41 -12.775 -2.111 -0.455 1.00 0.11 C ATOM 431 O SER A 41 -12.145 -1.075 -0.310 1.00 0.11 O ATOM 432 CB SER A 41 -11.699 -4.361 -0.406 1.00 0.18 C ATOM 433 OG SER A 41 -11.858 -5.647 0.151 1.00 0.82 O ATOM 0 H SER A 41 -13.569 -4.968 1.014 1.00 0.15 H new ATOM 0 HA SER A 41 -11.820 -2.950 1.233 1.00 0.13 H new ATOM 0 HB2 SER A 41 -12.073 -4.354 -1.430 1.00 0.18 H new ATOM 0 HB3 SER A 41 -10.640 -4.108 -0.452 1.00 0.18 H new ATOM 0 HG SER A 41 -12.394 -6.202 -0.454 1.00 0.82 H new ATOM 439 N ALA A 42 -13.760 -2.230 -1.343 1.00 0.13 N ATOM 440 CA ALA A 42 -14.127 -1.116 -2.222 1.00 0.13 C ATOM 441 C ALA A 42 -14.613 0.081 -1.411 1.00 0.12 C ATOM 442 O ALA A 42 -14.317 1.234 -1.734 1.00 0.12 O ATOM 443 CB ALA A 42 -15.199 -1.546 -3.207 1.00 0.18 C ATOM 0 H ALA A 42 -14.315 -3.076 -1.474 1.00 0.13 H new ATOM 0 HA ALA A 42 -13.237 -0.819 -2.777 1.00 0.13 H new ATOM 0 HB1 ALA A 42 -15.459 -0.706 -3.851 1.00 0.18 H new ATOM 0 HB2 ALA A 42 -14.824 -2.369 -3.816 1.00 0.18 H new ATOM 0 HB3 ALA A 42 -16.084 -1.872 -2.662 1.00 0.18 H new ATOM 449 N ASN A 43 -15.347 -0.217 -0.351 1.00 0.12 N ATOM 450 CA ASN A 43 -15.839 0.794 0.587 1.00 0.13 C ATOM 451 C ASN A 43 -14.678 1.404 1.330 1.00 0.10 C ATOM 452 O ASN A 43 -14.632 2.602 1.599 1.00 0.11 O ATOM 453 CB ASN A 43 -16.751 0.162 1.638 1.00 0.16 C ATOM 454 CG ASN A 43 -17.983 -0.484 1.058 1.00 0.18 C ATOM 455 OD1 ASN A 43 -17.895 -1.771 0.794 1.00 0.20 O flip ATOM 456 ND2 ASN A 43 -19.012 0.161 0.868 1.00 0.20 N flip ATOM 0 H ASN A 43 -15.622 -1.169 -0.111 1.00 0.12 H new ATOM 0 HA ASN A 43 -16.384 1.541 0.010 1.00 0.13 H new ATOM 0 HB2 ASN A 43 -16.186 -0.586 2.194 1.00 0.16 H new ATOM 0 HB3 ASN A 43 -17.054 0.928 2.352 1.00 0.16 H new ATOM 0 HD21 ASN A 43 -19.037 1.157 1.086 1.00 0.20 H new ATOM 0 HD22 ASN A 43 -19.841 -0.300 0.492 1.00 0.20 H new ATOM 463 N LEU A 44 -13.759 0.536 1.680 1.00 0.09 N ATOM 464 CA LEU A 44 -12.636 0.891 2.506 1.00 0.08 C ATOM 465 C LEU A 44 -11.682 1.763 1.722 1.00 0.07 C ATOM 466 O LEU A 44 -11.190 2.786 2.190 1.00 0.08 O ATOM 467 CB LEU A 44 -11.946 -0.380 2.981 1.00 0.08 C ATOM 468 CG LEU A 44 -12.352 -0.877 4.364 1.00 0.10 C ATOM 469 CD1 LEU A 44 -13.640 -0.226 4.843 1.00 0.12 C ATOM 470 CD2 LEU A 44 -12.510 -2.373 4.315 1.00 0.12 C ATOM 0 H LEU A 44 -13.772 -0.444 1.396 1.00 0.09 H new ATOM 0 HA LEU A 44 -12.974 1.454 3.376 1.00 0.08 H new ATOM 0 HB2 LEU A 44 -12.145 -1.171 2.258 1.00 0.08 H new ATOM 0 HB3 LEU A 44 -10.869 -0.209 2.978 1.00 0.08 H new ATOM 0 HG LEU A 44 -11.572 -0.604 5.075 1.00 0.10 H new ATOM 0 HD11 LEU A 44 -13.894 -0.607 5.832 1.00 0.12 H new ATOM 0 HD12 LEU A 44 -13.504 0.854 4.894 1.00 0.12 H new ATOM 0 HD13 LEU A 44 -14.446 -0.458 4.146 1.00 0.12 H new ATOM 0 HD21 LEU A 44 -12.800 -2.741 5.299 1.00 0.12 H new ATOM 0 HD22 LEU A 44 -13.280 -2.634 3.588 1.00 0.12 H new ATOM 0 HD23 LEU A 44 -11.565 -2.829 4.022 1.00 0.12 H new ATOM 482 N LEU A 45 -11.450 1.307 0.513 1.00 0.07 N ATOM 483 CA LEU A 45 -10.684 2.006 -0.493 1.00 0.07 C ATOM 484 C LEU A 45 -11.290 3.395 -0.685 1.00 0.07 C ATOM 485 O LEU A 45 -10.585 4.391 -0.740 1.00 0.08 O ATOM 486 CB LEU A 45 -10.801 1.149 -1.749 1.00 0.07 C ATOM 487 CG LEU A 45 -9.928 1.460 -2.967 1.00 0.08 C ATOM 488 CD1 LEU A 45 -10.794 1.371 -4.190 1.00 0.08 C ATOM 489 CD2 LEU A 45 -9.197 2.790 -2.881 1.00 0.08 C ATOM 0 H LEU A 45 -11.803 0.406 0.191 1.00 0.07 H new ATOM 0 HA LEU A 45 -9.636 2.148 -0.229 1.00 0.07 H new ATOM 0 HB2 LEU A 45 -10.599 0.118 -1.459 1.00 0.07 H new ATOM 0 HB3 LEU A 45 -11.840 1.190 -2.075 1.00 0.07 H new ATOM 0 HG LEU A 45 -9.126 0.723 -3.012 1.00 0.08 H new ATOM 0 HD11 LEU A 45 -10.197 1.589 -5.075 1.00 0.08 H new ATOM 0 HD12 LEU A 45 -11.209 0.366 -4.270 1.00 0.08 H new ATOM 0 HD13 LEU A 45 -11.606 2.094 -4.114 1.00 0.08 H new ATOM 0 HD21 LEU A 45 -8.601 2.936 -3.782 1.00 0.08 H new ATOM 0 HD22 LEU A 45 -9.922 3.599 -2.791 1.00 0.08 H new ATOM 0 HD23 LEU A 45 -8.543 2.790 -2.009 1.00 0.08 H new ATOM 501 N ALA A 46 -12.613 3.437 -0.761 1.00 0.08 N ATOM 502 CA ALA A 46 -13.356 4.685 -0.836 1.00 0.09 C ATOM 503 C ALA A 46 -12.981 5.645 0.286 1.00 0.09 C ATOM 504 O ALA A 46 -12.670 6.794 0.031 1.00 0.11 O ATOM 505 CB ALA A 46 -14.829 4.381 -0.776 1.00 0.10 C ATOM 0 H ALA A 46 -13.202 2.604 -0.772 1.00 0.08 H new ATOM 0 HA ALA A 46 -13.104 5.174 -1.777 1.00 0.09 H new ATOM 0 HB1 ALA A 46 -15.395 5.311 -0.832 1.00 0.10 H new ATOM 0 HB2 ALA A 46 -15.102 3.739 -1.613 1.00 0.10 H new ATOM 0 HB3 ALA A 46 -15.058 3.872 0.161 1.00 0.10 H new ATOM 511 N GLU A 47 -13.011 5.160 1.523 1.00 0.09 N ATOM 512 CA GLU A 47 -12.662 5.953 2.683 1.00 0.10 C ATOM 513 C GLU A 47 -11.196 6.317 2.646 1.00 0.09 C ATOM 514 O GLU A 47 -10.798 7.324 3.199 1.00 0.09 O ATOM 515 CB GLU A 47 -12.987 5.197 3.967 1.00 0.11 C ATOM 516 CG GLU A 47 -14.450 4.803 4.073 1.00 0.16 C ATOM 517 CD GLU A 47 -14.979 4.955 5.482 1.00 0.31 C ATOM 518 OE1 GLU A 47 -15.383 6.080 5.852 1.00 1.13 O ATOM 519 OE2 GLU A 47 -14.983 3.961 6.235 1.00 1.19 O ATOM 0 H GLU A 47 -13.280 4.201 1.744 1.00 0.09 H new ATOM 0 HA GLU A 47 -13.251 6.870 2.664 1.00 0.10 H new ATOM 0 HB2 GLU A 47 -12.371 4.300 4.019 1.00 0.11 H new ATOM 0 HB3 GLU A 47 -12.721 5.816 4.823 1.00 0.11 H new ATOM 0 HG2 GLU A 47 -15.041 5.419 3.396 1.00 0.16 H new ATOM 0 HG3 GLU A 47 -14.571 3.769 3.750 1.00 0.16 H new ATOM 526 N ALA A 48 -10.400 5.484 1.996 1.00 0.08 N ATOM 527 CA ALA A 48 -8.999 5.791 1.761 1.00 0.08 C ATOM 528 C ALA A 48 -8.881 6.952 0.776 1.00 0.08 C ATOM 529 O ALA A 48 -8.099 7.878 0.978 1.00 0.08 O ATOM 530 CB ALA A 48 -8.279 4.560 1.234 1.00 0.08 C ATOM 0 H ALA A 48 -10.702 4.585 1.620 1.00 0.08 H new ATOM 0 HA ALA A 48 -8.531 6.086 2.700 1.00 0.08 H new ATOM 0 HB1 ALA A 48 -7.230 4.799 1.061 1.00 0.08 H new ATOM 0 HB2 ALA A 48 -8.352 3.755 1.965 1.00 0.08 H new ATOM 0 HB3 ALA A 48 -8.738 4.243 0.298 1.00 0.08 H new ATOM 536 N LYS A 49 -9.711 6.903 -0.262 1.00 0.08 N ATOM 537 CA LYS A 49 -9.748 7.925 -1.306 1.00 0.09 C ATOM 538 C LYS A 49 -10.295 9.202 -0.707 1.00 0.10 C ATOM 539 O LYS A 49 -9.787 10.302 -0.909 1.00 0.13 O ATOM 540 CB LYS A 49 -10.679 7.456 -2.428 1.00 0.09 C ATOM 541 CG LYS A 49 -10.209 6.249 -3.178 1.00 0.09 C ATOM 542 CD LYS A 49 -11.404 5.445 -3.556 1.00 0.09 C ATOM 543 CE LYS A 49 -11.249 4.835 -4.893 1.00 0.10 C ATOM 544 NZ LYS A 49 -11.055 5.868 -5.944 1.00 0.71 N ATOM 0 H LYS A 49 -10.382 6.148 -0.404 1.00 0.08 H new ATOM 0 HA LYS A 49 -8.748 8.096 -1.706 1.00 0.09 H new ATOM 0 HB2 LYS A 49 -11.658 7.241 -2.001 1.00 0.09 H new ATOM 0 HB3 LYS A 49 -10.813 8.275 -3.135 1.00 0.09 H new ATOM 0 HG2 LYS A 49 -9.653 6.546 -4.067 1.00 0.09 H new ATOM 0 HG3 LYS A 49 -9.532 5.658 -2.562 1.00 0.09 H new ATOM 0 HD2 LYS A 49 -11.566 4.662 -2.815 1.00 0.09 H new ATOM 0 HD3 LYS A 49 -12.289 6.081 -3.546 1.00 0.09 H new ATOM 0 HE2 LYS A 49 -10.397 4.156 -4.887 1.00 0.10 H new ATOM 0 HE3 LYS A 49 -12.131 4.238 -5.126 1.00 0.10 H new ATOM 0 HZ1 LYS A 49 -11.901 5.912 -6.548 1.00 0.71 H new ATOM 0 HZ2 LYS A 49 -10.900 6.794 -5.496 1.00 0.71 H new ATOM 0 HZ3 LYS A 49 -10.228 5.622 -6.524 1.00 0.71 H new ATOM 558 N LYS A 50 -11.343 8.992 0.047 1.00 0.11 N ATOM 559 CA LYS A 50 -12.028 10.008 0.796 1.00 0.12 C ATOM 560 C LYS A 50 -11.109 10.625 1.833 1.00 0.12 C ATOM 561 O LYS A 50 -11.132 11.825 2.048 1.00 0.15 O ATOM 562 CB LYS A 50 -13.238 9.349 1.439 1.00 0.14 C ATOM 563 CG LYS A 50 -13.603 9.926 2.788 1.00 0.17 C ATOM 564 CD LYS A 50 -14.680 9.109 3.483 1.00 0.27 C ATOM 565 CE LYS A 50 -14.666 9.347 4.981 1.00 1.06 C ATOM 566 NZ LYS A 50 -15.833 8.719 5.656 1.00 1.19 N ATOM 0 H LYS A 50 -11.759 8.067 0.159 1.00 0.11 H new ATOM 0 HA LYS A 50 -12.347 10.823 0.146 1.00 0.12 H new ATOM 0 HB2 LYS A 50 -14.092 9.447 0.769 1.00 0.14 H new ATOM 0 HB3 LYS A 50 -13.042 8.283 1.551 1.00 0.14 H new ATOM 0 HG2 LYS A 50 -12.714 9.966 3.418 1.00 0.17 H new ATOM 0 HG3 LYS A 50 -13.950 10.951 2.662 1.00 0.17 H new ATOM 0 HD2 LYS A 50 -15.658 9.372 3.079 1.00 0.27 H new ATOM 0 HD3 LYS A 50 -14.525 8.050 3.279 1.00 0.27 H new ATOM 0 HE2 LYS A 50 -13.744 8.946 5.403 1.00 1.06 H new ATOM 0 HE3 LYS A 50 -14.667 10.419 5.178 1.00 1.06 H new ATOM 0 HZ1 LYS A 50 -15.750 8.847 6.685 1.00 1.19 H new ATOM 0 HZ2 LYS A 50 -16.710 9.167 5.321 1.00 1.19 H new ATOM 0 HZ3 LYS A 50 -15.857 7.703 5.435 1.00 1.19 H new ATOM 580 N LEU A 51 -10.308 9.790 2.464 1.00 0.11 N ATOM 581 CA LEU A 51 -9.330 10.234 3.447 1.00 0.12 C ATOM 582 C LEU A 51 -8.252 11.048 2.790 1.00 0.12 C ATOM 583 O LEU A 51 -7.905 12.138 3.235 1.00 0.13 O ATOM 584 CB LEU A 51 -8.685 9.037 4.094 1.00 0.11 C ATOM 585 CG LEU A 51 -7.905 9.325 5.355 1.00 0.12 C ATOM 586 CD1 LEU A 51 -8.757 10.112 6.330 1.00 0.15 C ATOM 587 CD2 LEU A 51 -7.431 8.015 5.949 1.00 0.12 C ATOM 0 H LEU A 51 -10.314 8.781 2.312 1.00 0.11 H new ATOM 0 HA LEU A 51 -9.846 10.841 4.190 1.00 0.12 H new ATOM 0 HB2 LEU A 51 -9.461 8.308 4.326 1.00 0.11 H new ATOM 0 HB3 LEU A 51 -8.015 8.571 3.371 1.00 0.11 H new ATOM 0 HG LEU A 51 -7.032 9.936 5.126 1.00 0.12 H new ATOM 0 HD11 LEU A 51 -8.183 10.313 7.235 1.00 0.15 H new ATOM 0 HD12 LEU A 51 -9.056 11.055 5.873 1.00 0.15 H new ATOM 0 HD13 LEU A 51 -9.646 9.535 6.585 1.00 0.15 H new ATOM 0 HD21 LEU A 51 -6.866 8.212 6.860 1.00 0.12 H new ATOM 0 HD22 LEU A 51 -8.292 7.389 6.184 1.00 0.12 H new ATOM 0 HD23 LEU A 51 -6.793 7.500 5.231 1.00 0.12 H new ATOM 599 N ASN A 52 -7.719 10.474 1.737 1.00 0.11 N ATOM 600 CA ASN A 52 -6.728 11.130 0.901 1.00 0.11 C ATOM 601 C ASN A 52 -7.211 12.513 0.528 1.00 0.13 C ATOM 602 O ASN A 52 -6.441 13.455 0.480 1.00 0.15 O ATOM 603 CB ASN A 52 -6.495 10.288 -0.353 1.00 0.12 C ATOM 604 CG ASN A 52 -5.949 11.066 -1.528 1.00 0.16 C ATOM 605 OD1 ASN A 52 -4.642 11.145 -1.619 1.00 0.20 O flip ATOM 606 ND2 ASN A 52 -6.700 11.593 -2.348 1.00 0.19 N flip ATOM 0 H ASN A 52 -7.959 9.532 1.430 1.00 0.11 H new ATOM 0 HA ASN A 52 -5.789 11.227 1.445 1.00 0.11 H new ATOM 0 HB2 ASN A 52 -5.803 9.481 -0.112 1.00 0.12 H new ATOM 0 HB3 ASN A 52 -7.437 9.823 -0.645 1.00 0.12 H new ATOM 0 HD21 ASN A 52 -7.711 11.508 -2.242 1.00 0.19 H new ATOM 0 HD22 ASN A 52 -6.312 12.114 -3.134 1.00 0.19 H new ATOM 613 N ASP A 53 -8.501 12.594 0.292 1.00 0.14 N ATOM 614 CA ASP A 53 -9.175 13.828 -0.075 1.00 0.17 C ATOM 615 C ASP A 53 -9.428 14.691 1.149 1.00 0.19 C ATOM 616 O ASP A 53 -9.316 15.916 1.106 1.00 0.22 O ATOM 617 CB ASP A 53 -10.500 13.506 -0.773 1.00 0.17 C ATOM 618 CG ASP A 53 -11.294 14.746 -1.114 1.00 0.71 C ATOM 619 OD1 ASP A 53 -10.862 15.511 -2.002 1.00 1.34 O ATOM 620 OD2 ASP A 53 -12.365 14.953 -0.510 1.00 1.53 O ATOM 0 H ASP A 53 -9.127 11.791 0.350 1.00 0.14 H new ATOM 0 HA ASP A 53 -8.532 14.384 -0.757 1.00 0.17 H new ATOM 0 HB2 ASP A 53 -10.299 12.946 -1.686 1.00 0.17 H new ATOM 0 HB3 ASP A 53 -11.098 12.862 -0.129 1.00 0.17 H new ATOM 625 N ALA A 54 -9.753 14.021 2.243 1.00 0.18 N ATOM 626 CA ALA A 54 -10.175 14.668 3.466 1.00 0.21 C ATOM 627 C ALA A 54 -9.055 15.486 4.051 1.00 0.24 C ATOM 628 O ALA A 54 -9.260 16.605 4.523 1.00 0.28 O ATOM 629 CB ALA A 54 -10.612 13.621 4.473 1.00 0.20 C ATOM 0 H ALA A 54 -9.730 13.003 2.303 1.00 0.18 H new ATOM 0 HA ALA A 54 -11.009 15.331 3.235 1.00 0.21 H new ATOM 0 HB1 ALA A 54 -10.929 14.111 5.393 1.00 0.20 H new ATOM 0 HB2 ALA A 54 -11.443 13.046 4.063 1.00 0.20 H new ATOM 0 HB3 ALA A 54 -9.779 12.952 4.687 1.00 0.20 H new ATOM 635 N GLN A 55 -7.869 14.915 4.027 1.00 0.22 N ATOM 636 CA GLN A 55 -6.728 15.582 4.640 1.00 0.25 C ATOM 637 C GLN A 55 -5.774 16.175 3.609 1.00 0.25 C ATOM 638 O GLN A 55 -5.069 17.127 3.931 1.00 0.28 O ATOM 639 CB GLN A 55 -5.977 14.601 5.526 1.00 0.25 C ATOM 640 CG GLN A 55 -5.697 13.281 4.840 1.00 0.20 C ATOM 641 CD GLN A 55 -4.620 12.488 5.540 1.00 0.19 C ATOM 642 OE1 GLN A 55 -3.439 12.655 5.264 1.00 0.22 O ATOM 643 NE2 GLN A 55 -5.024 11.600 6.432 1.00 0.17 N ATOM 0 H GLN A 55 -7.666 14.011 3.601 1.00 0.22 H new ATOM 0 HA GLN A 55 -7.117 16.408 5.235 1.00 0.25 H new ATOM 0 HB2 GLN A 55 -5.034 15.050 5.838 1.00 0.25 H new ATOM 0 HB3 GLN A 55 -6.557 14.419 6.430 1.00 0.25 H new ATOM 0 HG2 GLN A 55 -6.613 12.692 4.804 1.00 0.20 H new ATOM 0 HG3 GLN A 55 -5.396 13.467 3.809 1.00 0.20 H new ATOM 0 HE21 GLN A 55 -6.019 11.494 6.631 1.00 0.17 H new ATOM 0 HE22 GLN A 55 -4.341 11.021 6.921 1.00 0.17 H new ATOM 652 N ALA A 56 -5.791 15.610 2.389 1.00 0.24 N ATOM 653 CA ALA A 56 -4.941 16.018 1.250 1.00 0.25 C ATOM 654 C ALA A 56 -4.099 17.268 1.489 1.00 0.31 C ATOM 655 O ALA A 56 -4.488 18.383 1.130 1.00 0.35 O ATOM 656 CB ALA A 56 -5.781 16.180 0.000 1.00 0.26 C ATOM 0 H ALA A 56 -6.413 14.835 2.159 1.00 0.24 H new ATOM 0 HA ALA A 56 -4.222 15.209 1.123 1.00 0.25 H new ATOM 0 HB1 ALA A 56 -5.143 16.481 -0.831 1.00 0.26 H new ATOM 0 HB2 ALA A 56 -6.265 15.233 -0.238 1.00 0.26 H new ATOM 0 HB3 ALA A 56 -6.541 16.943 0.169 1.00 0.26 H new ATOM 714 N GLY B 14 8.033 6.356 -11.431 1.00 0.21 N ATOM 715 CA GLY B 14 6.772 5.649 -11.562 1.00 0.21 C ATOM 716 C GLY B 14 6.907 4.196 -12.009 1.00 0.19 C ATOM 717 O GLY B 14 6.322 3.808 -13.019 1.00 0.28 O ATOM 0 HA2 GLY B 14 6.254 5.675 -10.603 1.00 0.21 H new ATOM 0 HA3 GLY B 14 6.145 6.180 -12.278 1.00 0.21 H new ATOM 721 N GLU B 15 7.672 3.384 -11.278 1.00 0.15 N ATOM 722 CA GLU B 15 7.716 1.949 -11.551 1.00 0.15 C ATOM 723 C GLU B 15 6.826 1.231 -10.550 1.00 0.14 C ATOM 724 O GLU B 15 7.203 1.070 -9.394 1.00 0.22 O ATOM 725 CB GLU B 15 9.135 1.384 -11.432 1.00 0.18 C ATOM 726 CG GLU B 15 10.237 2.333 -11.864 1.00 0.86 C ATOM 727 CD GLU B 15 11.612 1.733 -11.661 1.00 1.08 C ATOM 728 OE1 GLU B 15 12.067 0.966 -12.530 1.00 1.45 O ATOM 729 OE2 GLU B 15 12.236 2.013 -10.618 1.00 1.76 O ATOM 0 H GLU B 15 8.261 3.690 -10.504 1.00 0.15 H new ATOM 0 HA GLU B 15 7.372 1.793 -12.574 1.00 0.15 H new ATOM 0 HB2 GLU B 15 9.310 1.095 -10.396 1.00 0.18 H new ATOM 0 HB3 GLU B 15 9.201 0.476 -12.032 1.00 0.18 H new ATOM 0 HG2 GLU B 15 10.104 2.589 -12.915 1.00 0.86 H new ATOM 0 HG3 GLU B 15 10.159 3.261 -11.298 1.00 0.86 H new ATOM 736 N ILE B 16 5.661 0.793 -10.979 1.00 0.12 N ATOM 737 CA ILE B 16 4.715 0.187 -10.060 1.00 0.11 C ATOM 738 C ILE B 16 5.220 -1.154 -9.534 1.00 0.12 C ATOM 739 O ILE B 16 5.844 -1.936 -10.256 1.00 0.16 O ATOM 740 CB ILE B 16 3.329 -0.009 -10.706 1.00 0.11 C ATOM 741 CG1 ILE B 16 2.526 1.299 -10.669 1.00 0.11 C ATOM 742 CG2 ILE B 16 2.579 -1.113 -9.981 1.00 0.12 C ATOM 743 CD1 ILE B 16 1.811 1.536 -9.357 1.00 0.11 C ATOM 0 H ILE B 16 5.346 0.843 -11.948 1.00 0.12 H new ATOM 0 HA ILE B 16 4.616 0.881 -9.225 1.00 0.11 H new ATOM 0 HB ILE B 16 3.463 -0.295 -11.749 1.00 0.11 H new ATOM 0 HG12 ILE B 16 3.199 2.134 -10.862 1.00 0.11 H new ATOM 0 HG13 ILE B 16 1.793 1.288 -11.476 1.00 0.11 H new ATOM 0 HG21 ILE B 16 1.600 -1.249 -10.440 1.00 0.12 H new ATOM 0 HG22 ILE B 16 3.144 -2.042 -10.049 1.00 0.12 H new ATOM 0 HG23 ILE B 16 2.454 -0.840 -8.933 1.00 0.12 H new ATOM 0 HD11 ILE B 16 1.265 2.478 -9.405 1.00 0.11 H new ATOM 0 HD12 ILE B 16 1.112 0.721 -9.171 1.00 0.11 H new ATOM 0 HD13 ILE B 16 2.540 1.580 -8.548 1.00 0.11 H new ATOM 755 N PHE B 17 4.944 -1.397 -8.263 1.00 0.11 N ATOM 756 CA PHE B 17 5.281 -2.647 -7.621 1.00 0.11 C ATOM 757 C PHE B 17 4.120 -3.109 -6.749 1.00 0.11 C ATOM 758 O PHE B 17 3.550 -2.324 -5.994 1.00 0.11 O ATOM 759 CB PHE B 17 6.574 -2.483 -6.820 1.00 0.12 C ATOM 760 CG PHE B 17 6.634 -1.246 -5.967 1.00 0.11 C ATOM 761 CD1 PHE B 17 6.045 -1.208 -4.712 1.00 1.09 C ATOM 762 CD2 PHE B 17 7.307 -0.124 -6.423 1.00 1.11 C ATOM 763 CE1 PHE B 17 6.126 -0.072 -3.926 1.00 1.10 C ATOM 764 CE2 PHE B 17 7.396 1.016 -5.648 1.00 1.11 C ATOM 765 CZ PHE B 17 6.806 1.046 -4.396 1.00 0.10 C ATOM 0 H PHE B 17 4.479 -0.728 -7.650 1.00 0.11 H new ATOM 0 HA PHE B 17 5.454 -3.418 -8.372 1.00 0.11 H new ATOM 0 HB2 PHE B 17 6.701 -3.356 -6.179 1.00 0.12 H new ATOM 0 HB3 PHE B 17 7.415 -2.471 -7.513 1.00 0.12 H new ATOM 0 HD1 PHE B 17 5.517 -2.075 -4.344 1.00 1.09 H new ATOM 0 HD2 PHE B 17 7.769 -0.141 -7.399 1.00 1.11 H new ATOM 0 HE1 PHE B 17 5.663 -0.054 -2.951 1.00 1.10 H new ATOM 0 HE2 PHE B 17 7.925 1.882 -6.018 1.00 1.11 H new ATOM 0 HZ PHE B 17 6.874 1.935 -3.786 1.00 0.10 H new ATOM 775 N TYR B 18 3.749 -4.373 -6.881 1.00 0.11 N ATOM 776 CA TYR B 18 2.594 -4.902 -6.181 1.00 0.10 C ATOM 777 C TYR B 18 3.014 -5.722 -4.976 1.00 0.09 C ATOM 778 O TYR B 18 3.987 -6.477 -5.028 1.00 0.09 O ATOM 779 CB TYR B 18 1.742 -5.754 -7.116 1.00 0.12 C ATOM 780 CG TYR B 18 1.035 -4.954 -8.185 1.00 0.09 C ATOM 781 CD1 TYR B 18 -0.097 -4.215 -7.878 1.00 1.17 C ATOM 782 CD2 TYR B 18 1.490 -4.943 -9.493 1.00 1.17 C ATOM 783 CE1 TYR B 18 -0.759 -3.484 -8.840 1.00 1.20 C ATOM 784 CE2 TYR B 18 0.833 -4.215 -10.469 1.00 1.15 C ATOM 785 CZ TYR B 18 -0.292 -3.487 -10.136 1.00 0.12 C ATOM 786 OH TYR B 18 -0.950 -2.767 -11.105 1.00 0.18 O ATOM 0 H TYR B 18 4.234 -5.051 -7.469 1.00 0.11 H new ATOM 0 HA TYR B 18 2.001 -4.056 -5.834 1.00 0.10 H new ATOM 0 HB2 TYR B 18 2.376 -6.501 -7.593 1.00 0.12 H new ATOM 0 HB3 TYR B 18 1.000 -6.294 -6.528 1.00 0.12 H new ATOM 0 HD1 TYR B 18 -0.468 -4.212 -6.864 1.00 1.17 H new ATOM 0 HD2 TYR B 18 2.370 -5.511 -9.755 1.00 1.17 H new ATOM 0 HE1 TYR B 18 -1.638 -2.913 -8.580 1.00 1.20 H new ATOM 0 HE2 TYR B 18 1.198 -4.216 -11.485 1.00 1.15 H new ATOM 0 HH TYR B 18 -0.489 -2.876 -11.963 1.00 0.18 H new ATOM 796 N LEU B 19 2.273 -5.557 -3.892 1.00 0.13 N ATOM 797 CA LEU B 19 2.543 -6.266 -2.649 1.00 0.13 C ATOM 798 C LEU B 19 1.298 -7.050 -2.202 1.00 0.21 C ATOM 799 O LEU B 19 0.779 -6.825 -1.111 1.00 0.25 O ATOM 800 CB LEU B 19 2.946 -5.268 -1.541 1.00 0.12 C ATOM 801 CG LEU B 19 4.228 -4.428 -1.781 1.00 0.10 C ATOM 802 CD1 LEU B 19 5.425 -5.342 -1.982 1.00 0.08 C ATOM 803 CD2 LEU B 19 4.076 -3.466 -2.942 1.00 0.11 C ATOM 0 H LEU B 19 1.470 -4.930 -3.848 1.00 0.13 H new ATOM 0 HA LEU B 19 3.364 -6.962 -2.822 1.00 0.13 H new ATOM 0 HB2 LEU B 19 2.115 -4.580 -1.386 1.00 0.12 H new ATOM 0 HB3 LEU B 19 3.075 -5.826 -0.614 1.00 0.12 H new ATOM 0 HG LEU B 19 4.394 -3.820 -0.892 1.00 0.10 H new ATOM 0 HD11 LEU B 19 6.318 -4.740 -2.149 1.00 0.08 H new ATOM 0 HD12 LEU B 19 5.564 -5.959 -1.095 1.00 0.08 H new ATOM 0 HD13 LEU B 19 5.252 -5.983 -2.846 1.00 0.08 H new ATOM 0 HD21 LEU B 19 4.999 -2.901 -3.070 1.00 0.11 H new ATOM 0 HD22 LEU B 19 3.864 -4.026 -3.853 1.00 0.11 H new ATOM 0 HD23 LEU B 19 3.255 -2.778 -2.739 1.00 0.11 H new ATOM 815 N PRO B 20 0.813 -7.998 -3.031 1.00 0.23 N ATOM 816 CA PRO B 20 -0.451 -8.717 -2.777 1.00 0.29 C ATOM 817 C PRO B 20 -0.361 -9.725 -1.647 1.00 0.29 C ATOM 818 O PRO B 20 -1.295 -9.885 -0.862 1.00 0.33 O ATOM 819 CB PRO B 20 -0.698 -9.444 -4.101 1.00 0.33 C ATOM 820 CG PRO B 20 0.669 -9.679 -4.635 1.00 0.29 C ATOM 821 CD PRO B 20 1.437 -8.440 -4.294 1.00 0.23 C ATOM 0 HA PRO B 20 -1.242 -8.033 -2.471 1.00 0.29 H new ATOM 0 HB2 PRO B 20 -1.235 -10.380 -3.949 1.00 0.33 H new ATOM 0 HB3 PRO B 20 -1.296 -8.840 -4.784 1.00 0.33 H new ATOM 0 HG2 PRO B 20 1.123 -10.561 -4.183 1.00 0.29 H new ATOM 0 HG3 PRO B 20 0.649 -9.847 -5.712 1.00 0.29 H new ATOM 0 HD2 PRO B 20 2.500 -8.646 -4.168 1.00 0.23 H new ATOM 0 HD3 PRO B 20 1.349 -7.683 -5.074 1.00 0.23 H new ATOM 829 N ASN B 21 0.767 -10.395 -1.570 1.00 0.27 N ATOM 830 CA ASN B 21 0.945 -11.474 -0.622 1.00 0.28 C ATOM 831 C ASN B 21 1.258 -10.933 0.768 1.00 0.24 C ATOM 832 O ASN B 21 1.147 -11.639 1.769 1.00 0.28 O ATOM 833 CB ASN B 21 2.035 -12.419 -1.142 1.00 0.31 C ATOM 834 CG ASN B 21 3.075 -12.788 -0.111 1.00 0.32 C ATOM 835 OD1 ASN B 21 2.880 -13.686 0.705 1.00 0.41 O ATOM 836 ND2 ASN B 21 4.208 -12.119 -0.181 1.00 0.30 N ATOM 0 H ASN B 21 1.581 -10.210 -2.157 1.00 0.27 H new ATOM 0 HA ASN B 21 0.018 -12.040 -0.526 1.00 0.28 H new ATOM 0 HB2 ASN B 21 1.565 -13.331 -1.510 1.00 0.31 H new ATOM 0 HB3 ASN B 21 2.532 -11.951 -1.992 1.00 0.31 H new ATOM 0 HD21 ASN B 21 4.970 -12.339 0.460 1.00 0.30 H new ATOM 0 HD22 ASN B 21 4.323 -11.381 -0.876 1.00 0.30 H new ATOM 843 N LEU B 22 1.636 -9.668 0.832 1.00 0.19 N ATOM 844 CA LEU B 22 1.908 -9.033 2.096 1.00 0.16 C ATOM 845 C LEU B 22 0.638 -8.683 2.839 1.00 0.20 C ATOM 846 O LEU B 22 -0.271 -8.057 2.298 1.00 0.26 O ATOM 847 CB LEU B 22 2.780 -7.806 1.881 1.00 0.14 C ATOM 848 CG LEU B 22 4.176 -8.160 1.393 1.00 0.13 C ATOM 849 CD1 LEU B 22 5.138 -7.010 1.540 1.00 0.12 C ATOM 850 CD2 LEU B 22 4.674 -9.354 2.161 1.00 0.14 C ATOM 0 H LEU B 22 1.760 -9.065 0.018 1.00 0.19 H new ATOM 0 HA LEU B 22 2.448 -9.743 2.723 1.00 0.16 H new ATOM 0 HB2 LEU B 22 2.302 -7.147 1.156 1.00 0.14 H new ATOM 0 HB3 LEU B 22 2.856 -7.250 2.816 1.00 0.14 H new ATOM 0 HG LEU B 22 4.117 -8.392 0.330 1.00 0.13 H new ATOM 0 HD11 LEU B 22 6.122 -7.310 1.179 1.00 0.12 H new ATOM 0 HD12 LEU B 22 4.781 -6.160 0.958 1.00 0.12 H new ATOM 0 HD13 LEU B 22 5.208 -6.726 2.590 1.00 0.12 H new ATOM 0 HD21 LEU B 22 5.675 -9.616 1.818 1.00 0.14 H new ATOM 0 HD22 LEU B 22 4.706 -9.115 3.224 1.00 0.14 H new ATOM 0 HD23 LEU B 22 4.003 -10.197 1.998 1.00 0.14 H new ATOM 862 N ASN B 23 0.594 -9.116 4.088 1.00 0.21 N ATOM 863 CA ASN B 23 -0.512 -8.803 4.977 1.00 0.26 C ATOM 864 C ASN B 23 -0.419 -7.339 5.388 1.00 0.20 C ATOM 865 O ASN B 23 0.635 -6.727 5.204 1.00 0.15 O ATOM 866 CB ASN B 23 -0.465 -9.715 6.206 1.00 0.35 C ATOM 867 CG ASN B 23 -0.722 -11.163 5.849 1.00 0.56 C ATOM 868 OD1 ASN B 23 0.331 -11.893 5.515 1.00 1.19 O flip ATOM 869 ND2 ASN B 23 -1.859 -11.627 5.879 1.00 0.55 N flip ATOM 0 H ASN B 23 1.321 -9.692 4.513 1.00 0.21 H new ATOM 0 HA ASN B 23 -1.460 -8.970 4.465 1.00 0.26 H new ATOM 0 HB2 ASN B 23 0.510 -9.628 6.685 1.00 0.35 H new ATOM 0 HB3 ASN B 23 -1.208 -9.383 6.932 1.00 0.35 H new ATOM 0 HD21 ASN B 23 -2.646 -11.033 6.141 1.00 0.55 H new ATOM 0 HD22 ASN B 23 -2.017 -12.606 5.642 1.00 0.55 H new ATOM 876 N PRO B 24 -1.497 -6.741 5.919 1.00 0.25 N ATOM 877 CA PRO B 24 -1.474 -5.343 6.355 1.00 0.22 C ATOM 878 C PRO B 24 -0.244 -5.027 7.198 1.00 0.18 C ATOM 879 O PRO B 24 0.424 -4.020 6.981 1.00 0.19 O ATOM 880 CB PRO B 24 -2.747 -5.216 7.190 1.00 0.27 C ATOM 881 CG PRO B 24 -3.679 -6.213 6.597 1.00 0.33 C ATOM 882 CD PRO B 24 -2.822 -7.358 6.125 1.00 0.37 C ATOM 0 HA PRO B 24 -1.430 -4.648 5.516 1.00 0.22 H new ATOM 0 HB2 PRO B 24 -2.555 -5.428 8.242 1.00 0.27 H new ATOM 0 HB3 PRO B 24 -3.158 -4.208 7.138 1.00 0.27 H new ATOM 0 HG2 PRO B 24 -4.409 -6.550 7.333 1.00 0.33 H new ATOM 0 HG3 PRO B 24 -4.239 -5.778 5.769 1.00 0.33 H new ATOM 0 HD2 PRO B 24 -2.781 -8.158 6.864 1.00 0.37 H new ATOM 0 HD3 PRO B 24 -3.208 -7.794 5.204 1.00 0.37 H new ATOM 890 N ASP B 25 0.090 -5.941 8.103 1.00 0.20 N ATOM 891 CA ASP B 25 1.170 -5.723 9.068 1.00 0.24 C ATOM 892 C ASP B 25 2.533 -5.644 8.382 1.00 0.23 C ATOM 893 O ASP B 25 3.407 -4.887 8.808 1.00 0.28 O ATOM 894 CB ASP B 25 1.178 -6.832 10.122 1.00 0.34 C ATOM 895 CG ASP B 25 2.258 -6.635 11.168 1.00 0.98 C ATOM 896 OD1 ASP B 25 2.059 -5.819 12.094 1.00 1.76 O ATOM 897 OD2 ASP B 25 3.302 -7.313 11.082 1.00 1.49 O ATOM 0 H ASP B 25 -0.373 -6.846 8.191 1.00 0.20 H new ATOM 0 HA ASP B 25 0.984 -4.766 9.556 1.00 0.24 H new ATOM 0 HB2 ASP B 25 0.205 -6.869 10.612 1.00 0.34 H new ATOM 0 HB3 ASP B 25 1.324 -7.794 9.631 1.00 0.34 H new ATOM 902 N GLN B 26 2.708 -6.422 7.319 1.00 0.19 N ATOM 903 CA GLN B 26 3.947 -6.415 6.553 1.00 0.20 C ATOM 904 C GLN B 26 4.207 -5.023 6.015 1.00 0.20 C ATOM 905 O GLN B 26 5.256 -4.413 6.218 1.00 0.24 O ATOM 906 CB GLN B 26 3.783 -7.325 5.341 1.00 0.25 C ATOM 907 CG GLN B 26 2.975 -8.576 5.575 1.00 0.31 C ATOM 908 CD GLN B 26 3.334 -9.317 6.826 1.00 0.29 C ATOM 909 OE1 GLN B 26 2.688 -9.166 7.858 1.00 0.48 O ATOM 910 NE2 GLN B 26 4.394 -10.072 6.760 1.00 0.28 N ATOM 0 H GLN B 26 2.002 -7.069 6.968 1.00 0.19 H new ATOM 0 HA GLN B 26 4.761 -6.743 7.199 1.00 0.20 H new ATOM 0 HB2 GLN B 26 3.313 -6.754 4.540 1.00 0.25 H new ATOM 0 HB3 GLN B 26 4.773 -7.613 4.988 1.00 0.25 H new ATOM 0 HG2 GLN B 26 1.919 -8.310 5.615 1.00 0.31 H new ATOM 0 HG3 GLN B 26 3.104 -9.243 4.722 1.00 0.31 H new ATOM 0 HE21 GLN B 26 4.899 -10.167 5.879 1.00 0.28 H new ATOM 0 HE22 GLN B 26 4.719 -10.568 7.590 1.00 0.28 H new ATOM 919 N LEU B 27 3.192 -4.562 5.333 1.00 0.16 N ATOM 920 CA LEU B 27 3.142 -3.240 4.733 1.00 0.17 C ATOM 921 C LEU B 27 3.206 -2.142 5.794 1.00 0.19 C ATOM 922 O LEU B 27 3.781 -1.081 5.553 1.00 0.21 O ATOM 923 CB LEU B 27 1.849 -3.120 3.927 1.00 0.16 C ATOM 924 CG LEU B 27 1.570 -4.299 2.985 1.00 0.14 C ATOM 925 CD1 LEU B 27 0.081 -4.397 2.689 1.00 0.15 C ATOM 926 CD2 LEU B 27 2.359 -4.160 1.691 1.00 0.13 C ATOM 0 H LEU B 27 2.346 -5.108 5.170 1.00 0.16 H new ATOM 0 HA LEU B 27 4.007 -3.113 4.082 1.00 0.17 H new ATOM 0 HB2 LEU B 27 1.013 -3.020 4.619 1.00 0.16 H new ATOM 0 HB3 LEU B 27 1.887 -2.203 3.339 1.00 0.16 H new ATOM 0 HG LEU B 27 1.891 -5.215 3.481 1.00 0.14 H new ATOM 0 HD11 LEU B 27 -0.102 -5.238 2.020 1.00 0.15 H new ATOM 0 HD12 LEU B 27 -0.466 -4.548 3.620 1.00 0.15 H new ATOM 0 HD13 LEU B 27 -0.257 -3.475 2.215 1.00 0.15 H new ATOM 0 HD21 LEU B 27 2.144 -5.008 1.041 1.00 0.13 H new ATOM 0 HD22 LEU B 27 2.074 -3.236 1.188 1.00 0.13 H new ATOM 0 HD23 LEU B 27 3.425 -4.137 1.916 1.00 0.13 H new ATOM 938 N CYS B 28 2.617 -2.406 6.965 1.00 0.20 N ATOM 939 CA CYS B 28 2.629 -1.453 8.078 1.00 0.23 C ATOM 940 C CYS B 28 4.037 -0.964 8.367 1.00 0.23 C ATOM 941 O CYS B 28 4.252 0.218 8.614 1.00 0.28 O ATOM 942 CB CYS B 28 2.030 -2.066 9.348 1.00 0.25 C ATOM 943 SG CYS B 28 0.221 -2.278 9.313 1.00 0.27 S ATOM 0 H CYS B 28 2.124 -3.276 7.166 1.00 0.20 H new ATOM 0 HA CYS B 28 2.014 -0.605 7.776 1.00 0.23 H new ATOM 0 HB2 CYS B 28 2.493 -3.038 9.519 1.00 0.25 H new ATOM 0 HB3 CYS B 28 2.292 -1.435 10.198 1.00 0.25 H new ATOM 948 N ALA B 29 4.995 -1.875 8.315 1.00 0.22 N ATOM 949 CA ALA B 29 6.381 -1.524 8.551 1.00 0.24 C ATOM 950 C ALA B 29 6.960 -0.773 7.365 1.00 0.21 C ATOM 951 O ALA B 29 7.675 0.212 7.534 1.00 0.25 O ATOM 952 CB ALA B 29 7.198 -2.767 8.816 1.00 0.26 C ATOM 0 H ALA B 29 4.836 -2.862 8.111 1.00 0.22 H new ATOM 0 HA ALA B 29 6.420 -0.875 9.426 1.00 0.24 H new ATOM 0 HB1 ALA B 29 8.237 -2.489 8.992 1.00 0.26 H new ATOM 0 HB2 ALA B 29 6.806 -3.280 9.695 1.00 0.26 H new ATOM 0 HB3 ALA B 29 7.141 -3.431 7.953 1.00 0.26 H new ATOM 958 N PHE B 30 6.640 -1.242 6.165 1.00 0.18 N ATOM 959 CA PHE B 30 7.203 -0.679 4.952 1.00 0.17 C ATOM 960 C PHE B 30 6.925 0.819 4.825 1.00 0.21 C ATOM 961 O PHE B 30 7.861 1.608 4.782 1.00 0.22 O ATOM 962 CB PHE B 30 6.635 -1.420 3.743 1.00 0.18 C ATOM 963 CG PHE B 30 7.082 -0.856 2.429 1.00 0.16 C ATOM 964 CD1 PHE B 30 8.425 -0.654 2.173 1.00 1.07 C ATOM 965 CD2 PHE B 30 6.159 -0.530 1.447 1.00 1.13 C ATOM 966 CE1 PHE B 30 8.840 -0.140 0.970 1.00 1.07 C ATOM 967 CE2 PHE B 30 6.576 -0.015 0.237 1.00 1.13 C ATOM 968 CZ PHE B 30 7.923 0.178 0.002 1.00 0.13 C ATOM 0 H PHE B 30 5.991 -2.013 6.010 1.00 0.18 H new ATOM 0 HA PHE B 30 8.285 -0.802 4.996 1.00 0.17 H new ATOM 0 HB2 PHE B 30 6.930 -2.468 3.798 1.00 0.18 H new ATOM 0 HB3 PHE B 30 5.546 -1.392 3.789 1.00 0.18 H new ATOM 0 HD1 PHE B 30 9.156 -0.903 2.928 1.00 1.07 H new ATOM 0 HD2 PHE B 30 5.105 -0.680 1.631 1.00 1.13 H new ATOM 0 HE1 PHE B 30 9.893 0.014 0.785 1.00 1.07 H new ATOM 0 HE2 PHE B 30 5.852 0.236 -0.524 1.00 1.13 H new ATOM 0 HZ PHE B 30 8.254 0.579 -0.944 1.00 0.13 H new ATOM 978 N PHE B 31 5.660 1.224 4.846 1.00 0.26 N ATOM 979 CA PHE B 31 5.337 2.636 4.720 1.00 0.35 C ATOM 980 C PHE B 31 5.657 3.400 5.997 1.00 0.37 C ATOM 981 O PHE B 31 5.737 4.624 5.988 1.00 0.46 O ATOM 982 CB PHE B 31 3.885 2.874 4.276 1.00 0.65 C ATOM 983 CG PHE B 31 2.830 2.055 4.961 1.00 0.23 C ATOM 984 CD1 PHE B 31 2.643 2.129 6.325 1.00 1.13 C ATOM 985 CD2 PHE B 31 1.998 1.236 4.218 1.00 1.16 C ATOM 986 CE1 PHE B 31 1.646 1.400 6.939 1.00 1.45 C ATOM 987 CE2 PHE B 31 1.002 0.500 4.826 1.00 1.05 C ATOM 988 CZ PHE B 31 0.826 0.582 6.189 1.00 0.80 C ATOM 0 H PHE B 31 4.856 0.605 4.947 1.00 0.26 H new ATOM 0 HA PHE B 31 5.975 3.027 3.927 1.00 0.35 H new ATOM 0 HB2 PHE B 31 3.651 3.928 4.428 1.00 0.65 H new ATOM 0 HB3 PHE B 31 3.821 2.685 3.204 1.00 0.65 H new ATOM 0 HD1 PHE B 31 3.284 2.764 6.919 1.00 1.13 H new ATOM 0 HD2 PHE B 31 2.130 1.172 3.148 1.00 1.16 H new ATOM 0 HE1 PHE B 31 1.507 1.469 8.008 1.00 1.45 H new ATOM 0 HE2 PHE B 31 0.362 -0.138 4.235 1.00 1.05 H new ATOM 0 HZ PHE B 31 0.048 0.008 6.670 1.00 0.80 H new ATOM 998 N HIS B 32 5.867 2.680 7.090 1.00 0.36 N ATOM 999 CA HIS B 32 6.263 3.316 8.338 1.00 0.43 C ATOM 1000 C HIS B 32 7.727 3.737 8.261 1.00 0.40 C ATOM 1001 O HIS B 32 8.077 4.855 8.621 1.00 0.47 O ATOM 1002 CB HIS B 32 6.038 2.373 9.524 1.00 0.47 C ATOM 1003 CG HIS B 32 6.185 3.042 10.855 1.00 0.71 C ATOM 1004 ND1 HIS B 32 7.207 2.763 11.733 1.00 1.37 N ATOM 1005 CD2 HIS B 32 5.420 3.981 11.460 1.00 1.43 C ATOM 1006 CE1 HIS B 32 7.064 3.499 12.818 1.00 1.77 C ATOM 1007 NE2 HIS B 32 5.988 4.246 12.678 1.00 1.70 N ATOM 0 H HIS B 32 5.771 1.666 7.138 1.00 0.36 H new ATOM 0 HA HIS B 32 5.646 4.202 8.490 1.00 0.43 H new ATOM 0 HB2 HIS B 32 5.039 1.942 9.451 1.00 0.47 H new ATOM 0 HB3 HIS B 32 6.747 1.547 9.461 1.00 0.47 H new ATOM 0 HD2 HIS B 32 4.528 4.437 11.057 1.00 1.43 H new ATOM 0 HE1 HIS B 32 7.719 3.491 13.677 1.00 1.77 H new ATOM 0 HE2 HIS B 32 5.635 4.913 13.365 1.00 1.70 H new ATOM 1016 N SER B 33 8.564 2.841 7.757 1.00 0.33 N ATOM 1017 CA SER B 33 9.979 3.126 7.557 1.00 0.33 C ATOM 1018 C SER B 33 10.170 4.100 6.398 1.00 0.28 C ATOM 1019 O SER B 33 11.080 4.915 6.399 1.00 0.30 O ATOM 1020 CB SER B 33 10.741 1.826 7.288 1.00 0.33 C ATOM 1021 OG SER B 33 10.511 0.877 8.320 1.00 0.77 O ATOM 0 H SER B 33 8.284 1.901 7.476 1.00 0.33 H new ATOM 0 HA SER B 33 10.374 3.587 8.462 1.00 0.33 H new ATOM 0 HB2 SER B 33 10.429 1.409 6.330 1.00 0.33 H new ATOM 0 HB3 SER B 33 11.808 2.035 7.213 1.00 0.33 H new ATOM 0 HG SER B 33 9.600 0.523 8.242 1.00 0.77 H new ATOM 1027 N VAL B 34 9.305 3.971 5.412 1.00 0.22 N ATOM 1028 CA VAL B 34 9.324 4.775 4.201 1.00 0.20 C ATOM 1029 C VAL B 34 8.863 6.209 4.470 1.00 0.26 C ATOM 1030 O VAL B 34 9.429 7.155 3.938 1.00 0.27 O ATOM 1031 CB VAL B 34 8.421 4.112 3.128 1.00 0.19 C ATOM 1032 CG1 VAL B 34 7.995 5.072 2.046 1.00 0.18 C ATOM 1033 CG2 VAL B 34 9.118 2.928 2.496 1.00 0.20 C ATOM 0 H VAL B 34 8.549 3.287 5.429 1.00 0.22 H new ATOM 0 HA VAL B 34 10.351 4.825 3.838 1.00 0.20 H new ATOM 0 HB VAL B 34 7.524 3.780 3.651 1.00 0.19 H new ATOM 0 HG11 VAL B 34 7.366 4.551 1.325 1.00 0.18 H new ATOM 0 HG12 VAL B 34 7.434 5.895 2.490 1.00 0.18 H new ATOM 0 HG13 VAL B 34 8.877 5.465 1.541 1.00 0.18 H new ATOM 0 HG21 VAL B 34 8.466 2.479 1.747 1.00 0.20 H new ATOM 0 HG22 VAL B 34 10.041 3.260 2.021 1.00 0.20 H new ATOM 0 HG23 VAL B 34 9.350 2.190 3.264 1.00 0.20 H new ATOM 1043 N HIS B 35 7.835 6.372 5.294 1.00 0.32 N ATOM 1044 CA HIS B 35 7.366 7.707 5.637 1.00 0.41 C ATOM 1045 C HIS B 35 8.319 8.340 6.642 1.00 0.45 C ATOM 1046 O HIS B 35 8.525 9.554 6.640 1.00 0.51 O ATOM 1047 CB HIS B 35 5.946 7.658 6.205 1.00 0.48 C ATOM 1048 CG HIS B 35 5.241 8.982 6.203 1.00 0.66 C ATOM 1049 ND1 HIS B 35 4.243 9.296 5.305 1.00 1.60 N ATOM 1050 CD2 HIS B 35 5.378 10.067 7.003 1.00 0.88 C ATOM 1051 CE1 HIS B 35 3.800 10.514 5.549 1.00 1.50 C ATOM 1052 NE2 HIS B 35 4.471 11.004 6.576 1.00 0.80 N ATOM 0 H HIS B 35 7.318 5.609 5.731 1.00 0.32 H new ATOM 0 HA HIS B 35 7.343 8.314 4.732 1.00 0.41 H new ATOM 0 HB2 HIS B 35 5.359 6.945 5.626 1.00 0.48 H new ATOM 0 HB3 HIS B 35 5.988 7.282 7.227 1.00 0.48 H new ATOM 0 HD2 HIS B 35 6.072 10.174 7.824 1.00 0.88 H new ATOM 0 HE1 HIS B 35 3.021 11.024 5.002 1.00 1.50 H new ATOM 0 HE2 HIS B 35 4.337 11.929 6.985 1.00 0.80 H new ATOM 1061 N ASP B 36 8.895 7.507 7.498 1.00 0.44 N ATOM 1062 CA ASP B 36 9.886 7.969 8.458 1.00 0.50 C ATOM 1063 C ASP B 36 11.199 8.267 7.749 1.00 0.47 C ATOM 1064 O ASP B 36 11.875 9.246 8.068 1.00 0.52 O ATOM 1065 CB ASP B 36 10.099 6.934 9.564 1.00 0.55 C ATOM 1066 CG ASP B 36 11.056 7.411 10.640 1.00 0.79 C ATOM 1067 OD1 ASP B 36 10.747 8.410 11.321 1.00 1.29 O ATOM 1068 OD2 ASP B 36 12.111 6.770 10.833 1.00 1.59 O ATOM 0 H ASP B 36 8.693 6.508 7.547 1.00 0.44 H new ATOM 0 HA ASP B 36 9.518 8.885 8.920 1.00 0.50 H new ATOM 0 HB2 ASP B 36 9.138 6.693 10.019 1.00 0.55 H new ATOM 0 HB3 ASP B 36 10.483 6.013 9.125 1.00 0.55 H new ATOM 1073 N ASP B 37 11.556 7.428 6.776 1.00 0.39 N ATOM 1074 CA ASP B 37 12.755 7.677 5.964 1.00 0.40 C ATOM 1075 C ASP B 37 12.443 7.624 4.476 1.00 0.32 C ATOM 1076 O ASP B 37 12.699 6.618 3.812 1.00 0.29 O ATOM 1077 CB ASP B 37 13.873 6.677 6.272 1.00 0.48 C ATOM 1078 CG ASP B 37 14.631 6.984 7.543 1.00 1.00 C ATOM 1079 OD1 ASP B 37 15.239 8.070 7.640 1.00 1.58 O ATOM 1080 OD2 ASP B 37 14.636 6.133 8.453 1.00 1.55 O ATOM 0 H ASP B 37 11.043 6.581 6.531 1.00 0.39 H new ATOM 0 HA ASP B 37 13.095 8.679 6.226 1.00 0.40 H new ATOM 0 HB2 ASP B 37 13.444 5.678 6.348 1.00 0.48 H new ATOM 0 HB3 ASP B 37 14.573 6.660 5.437 1.00 0.48 H new ATOM 1085 N PRO B 38 11.905 8.722 3.930 1.00 0.34 N ATOM 1086 CA PRO B 38 11.636 8.857 2.488 1.00 0.31 C ATOM 1087 C PRO B 38 12.914 8.809 1.648 1.00 0.30 C ATOM 1088 O PRO B 38 12.866 8.725 0.418 1.00 0.36 O ATOM 1089 CB PRO B 38 10.990 10.242 2.382 1.00 0.42 C ATOM 1090 CG PRO B 38 11.434 10.959 3.610 1.00 0.49 C ATOM 1091 CD PRO B 38 11.481 9.918 4.676 1.00 0.46 C ATOM 0 HA PRO B 38 11.015 8.044 2.112 1.00 0.31 H new ATOM 0 HB2 PRO B 38 11.313 10.762 1.480 1.00 0.42 H new ATOM 0 HB3 PRO B 38 9.903 10.170 2.336 1.00 0.42 H new ATOM 0 HG2 PRO B 38 12.412 11.419 3.466 1.00 0.49 H new ATOM 0 HG3 PRO B 38 10.741 11.759 3.871 1.00 0.49 H new ATOM 0 HD2 PRO B 38 12.187 10.176 5.465 1.00 0.46 H new ATOM 0 HD3 PRO B 38 10.510 9.778 5.150 1.00 0.46 H new ATOM 1099 N SER B 39 14.049 8.861 2.329 1.00 0.29 N ATOM 1100 CA SER B 39 15.353 8.863 1.689 1.00 0.31 C ATOM 1101 C SER B 39 15.715 7.486 1.147 1.00 0.26 C ATOM 1102 O SER B 39 16.568 7.357 0.269 1.00 0.31 O ATOM 1103 CB SER B 39 16.401 9.314 2.704 1.00 0.39 C ATOM 1104 OG SER B 39 16.259 8.591 3.916 1.00 1.45 O ATOM 0 H SER B 39 14.090 8.903 3.347 1.00 0.29 H new ATOM 0 HA SER B 39 15.323 9.551 0.844 1.00 0.31 H new ATOM 0 HB2 SER B 39 17.400 9.161 2.297 1.00 0.39 H new ATOM 0 HB3 SER B 39 16.295 10.382 2.896 1.00 0.39 H new ATOM 0 HG SER B 39 16.938 8.889 4.556 1.00 1.45 H new ATOM 1110 N GLN B 40 15.066 6.457 1.667 1.00 0.21 N ATOM 1111 CA GLN B 40 15.435 5.090 1.331 1.00 0.19 C ATOM 1112 C GLN B 40 14.281 4.277 0.813 1.00 0.15 C ATOM 1113 O GLN B 40 14.328 3.057 0.872 1.00 0.14 O ATOM 1114 CB GLN B 40 15.987 4.373 2.535 1.00 0.22 C ATOM 1115 CG GLN B 40 15.537 4.955 3.850 1.00 0.25 C ATOM 1116 CD GLN B 40 16.612 4.885 4.895 1.00 0.32 C ATOM 1117 OE1 GLN B 40 16.719 3.922 5.655 1.00 0.37 O ATOM 1118 NE2 GLN B 40 17.429 5.908 4.908 1.00 0.35 N ATOM 0 H GLN B 40 14.286 6.540 2.319 1.00 0.21 H new ATOM 0 HA GLN B 40 16.185 5.179 0.545 1.00 0.19 H new ATOM 0 HB2 GLN B 40 15.688 3.326 2.491 1.00 0.22 H new ATOM 0 HB3 GLN B 40 17.076 4.396 2.492 1.00 0.22 H new ATOM 0 HG2 GLN B 40 15.241 5.994 3.704 1.00 0.25 H new ATOM 0 HG3 GLN B 40 14.655 4.419 4.201 1.00 0.25 H new ATOM 0 HE21 GLN B 40 17.292 6.679 4.254 1.00 0.35 H new ATOM 0 HE22 GLN B 40 18.203 5.934 5.572 1.00 0.35 H new ATOM 1127 N SER B 41 13.259 4.940 0.339 1.00 0.15 N ATOM 1128 CA SER B 41 12.074 4.268 -0.195 1.00 0.14 C ATOM 1129 C SER B 41 12.441 3.123 -1.150 1.00 0.11 C ATOM 1130 O SER B 41 11.693 2.169 -1.274 1.00 0.10 O ATOM 1131 CB SER B 41 11.165 5.268 -0.903 1.00 0.16 C ATOM 1132 OG SER B 41 11.058 6.468 -0.157 1.00 0.75 O ATOM 0 H SER B 41 13.212 5.958 0.306 1.00 0.15 H new ATOM 0 HA SER B 41 11.542 3.835 0.652 1.00 0.14 H new ATOM 0 HB2 SER B 41 11.560 5.486 -1.895 1.00 0.16 H new ATOM 0 HB3 SER B 41 10.176 4.832 -1.042 1.00 0.16 H new ATOM 0 HG SER B 41 11.190 7.236 -0.752 1.00 0.75 H new ATOM 1138 N ALA B 42 13.590 3.215 -1.820 1.00 0.09 N ATOM 1139 CA ALA B 42 14.048 2.140 -2.697 1.00 0.08 C ATOM 1140 C ALA B 42 14.635 0.967 -1.911 1.00 0.10 C ATOM 1141 O ALA B 42 14.339 -0.191 -2.200 1.00 0.10 O ATOM 1142 CB ALA B 42 15.064 2.647 -3.690 1.00 0.09 C ATOM 0 H ALA B 42 14.217 4.018 -1.772 1.00 0.09 H new ATOM 0 HA ALA B 42 13.171 1.781 -3.235 1.00 0.08 H new ATOM 0 HB1 ALA B 42 15.388 1.826 -4.330 1.00 0.09 H new ATOM 0 HB2 ALA B 42 14.615 3.429 -4.302 1.00 0.09 H new ATOM 0 HB3 ALA B 42 15.924 3.052 -3.156 1.00 0.09 H new ATOM 1148 N ASN B 43 15.477 1.263 -0.925 1.00 0.12 N ATOM 1149 CA ASN B 43 16.042 0.212 -0.076 1.00 0.14 C ATOM 1150 C ASN B 43 14.937 -0.381 0.776 1.00 0.14 C ATOM 1151 O ASN B 43 14.911 -1.576 1.062 1.00 0.15 O ATOM 1152 CB ASN B 43 17.168 0.750 0.813 1.00 0.18 C ATOM 1153 CG ASN B 43 18.430 1.047 0.043 1.00 0.27 C ATOM 1154 OD1 ASN B 43 19.257 0.164 -0.190 1.00 0.37 O ATOM 1155 ND2 ASN B 43 18.598 2.298 -0.343 1.00 0.33 N ATOM 0 H ASN B 43 15.782 2.209 -0.694 1.00 0.12 H new ATOM 0 HA ASN B 43 16.474 -0.558 -0.715 1.00 0.14 H new ATOM 0 HB2 ASN B 43 16.829 1.659 1.310 1.00 0.18 H new ATOM 0 HB3 ASN B 43 17.387 0.022 1.594 1.00 0.18 H new ATOM 0 HD21 ASN B 43 19.438 2.565 -0.856 1.00 0.33 H new ATOM 0 HD22 ASN B 43 17.887 2.998 -0.129 1.00 0.33 H new ATOM 1162 N LEU B 44 14.031 0.490 1.178 1.00 0.13 N ATOM 1163 CA LEU B 44 12.801 0.097 1.846 1.00 0.13 C ATOM 1164 C LEU B 44 11.938 -0.736 0.905 1.00 0.11 C ATOM 1165 O LEU B 44 11.360 -1.744 1.311 1.00 0.11 O ATOM 1166 CB LEU B 44 12.029 1.334 2.296 1.00 0.14 C ATOM 1167 CG LEU B 44 12.467 1.971 3.623 1.00 0.17 C ATOM 1168 CD1 LEU B 44 13.856 1.534 4.046 1.00 0.19 C ATOM 1169 CD2 LEU B 44 12.452 3.465 3.479 1.00 0.17 C ATOM 0 H LEU B 44 14.127 1.497 1.050 1.00 0.13 H new ATOM 0 HA LEU B 44 13.054 -0.501 2.721 1.00 0.13 H new ATOM 0 HB2 LEU B 44 12.108 2.088 1.513 1.00 0.14 H new ATOM 0 HB3 LEU B 44 10.975 1.067 2.377 1.00 0.14 H new ATOM 0 HG LEU B 44 11.767 1.641 4.391 1.00 0.17 H new ATOM 0 HD11 LEU B 44 14.117 2.013 4.990 1.00 0.19 H new ATOM 0 HD12 LEU B 44 13.874 0.451 4.171 1.00 0.19 H new ATOM 0 HD13 LEU B 44 14.577 1.823 3.281 1.00 0.19 H new ATOM 0 HD21 LEU B 44 12.762 3.924 4.418 1.00 0.17 H new ATOM 0 HD22 LEU B 44 13.139 3.761 2.686 1.00 0.17 H new ATOM 0 HD23 LEU B 44 11.444 3.796 3.228 1.00 0.17 H new ATOM 1181 N LEU B 45 11.874 -0.306 -0.360 1.00 0.10 N ATOM 1182 CA LEU B 45 11.130 -1.012 -1.400 1.00 0.09 C ATOM 1183 C LEU B 45 11.581 -2.445 -1.429 1.00 0.08 C ATOM 1184 O LEU B 45 10.779 -3.378 -1.387 1.00 0.08 O ATOM 1185 CB LEU B 45 11.400 -0.390 -2.778 1.00 0.09 C ATOM 1186 CG LEU B 45 10.167 -0.196 -3.658 1.00 0.11 C ATOM 1187 CD1 LEU B 45 10.522 -0.312 -5.133 1.00 0.13 C ATOM 1188 CD2 LEU B 45 9.088 -1.195 -3.283 1.00 0.10 C ATOM 0 H LEU B 45 12.338 0.541 -0.688 1.00 0.10 H new ATOM 0 HA LEU B 45 10.065 -0.941 -1.179 1.00 0.09 H new ATOM 0 HB2 LEU B 45 11.879 0.578 -2.634 1.00 0.09 H new ATOM 0 HB3 LEU B 45 12.111 -1.022 -3.311 1.00 0.09 H new ATOM 0 HG LEU B 45 9.782 0.810 -3.488 1.00 0.11 H new ATOM 0 HD11 LEU B 45 9.625 -0.170 -5.735 1.00 0.13 H new ATOM 0 HD12 LEU B 45 11.257 0.450 -5.391 1.00 0.13 H new ATOM 0 HD13 LEU B 45 10.939 -1.300 -5.330 1.00 0.13 H new ATOM 0 HD21 LEU B 45 8.216 -1.044 -3.919 1.00 0.10 H new ATOM 0 HD22 LEU B 45 9.466 -2.208 -3.420 1.00 0.10 H new ATOM 0 HD23 LEU B 45 8.806 -1.051 -2.240 1.00 0.10 H new ATOM 1200 N ALA B 46 12.886 -2.586 -1.469 1.00 0.09 N ATOM 1201 CA ALA B 46 13.545 -3.861 -1.473 1.00 0.11 C ATOM 1202 C ALA B 46 13.034 -4.737 -0.359 1.00 0.11 C ATOM 1203 O ALA B 46 12.839 -5.911 -0.561 1.00 0.13 O ATOM 1204 CB ALA B 46 15.030 -3.638 -1.310 1.00 0.13 C ATOM 0 H ALA B 46 13.529 -1.795 -1.500 1.00 0.09 H new ATOM 0 HA ALA B 46 13.340 -4.366 -2.417 1.00 0.11 H new ATOM 0 HB1 ALA B 46 15.545 -4.599 -1.311 1.00 0.13 H new ATOM 0 HB2 ALA B 46 15.399 -3.028 -2.134 1.00 0.13 H new ATOM 0 HB3 ALA B 46 15.220 -3.126 -0.367 1.00 0.13 H new ATOM 1210 N GLU B 47 12.794 -4.149 0.801 1.00 0.11 N ATOM 1211 CA GLU B 47 12.417 -4.910 1.982 1.00 0.12 C ATOM 1212 C GLU B 47 10.979 -5.393 1.907 1.00 0.10 C ATOM 1213 O GLU B 47 10.663 -6.488 2.356 1.00 0.11 O ATOM 1214 CB GLU B 47 12.610 -4.067 3.231 1.00 0.16 C ATOM 1215 CG GLU B 47 14.042 -3.641 3.419 1.00 0.20 C ATOM 1216 CD GLU B 47 14.863 -4.643 4.198 1.00 0.71 C ATOM 1217 OE1 GLU B 47 14.495 -4.955 5.347 1.00 1.20 O ATOM 1218 OE2 GLU B 47 15.897 -5.105 3.672 1.00 1.43 O ATOM 0 H GLU B 47 12.854 -3.142 0.951 1.00 0.11 H new ATOM 0 HA GLU B 47 13.063 -5.786 2.027 1.00 0.12 H new ATOM 0 HB2 GLU B 47 11.975 -3.183 3.171 1.00 0.16 H new ATOM 0 HB3 GLU B 47 12.285 -4.634 4.103 1.00 0.16 H new ATOM 0 HG2 GLU B 47 14.500 -3.487 2.442 1.00 0.20 H new ATOM 0 HG3 GLU B 47 14.064 -2.682 3.936 1.00 0.20 H new ATOM 1225 N ALA B 48 10.108 -4.569 1.360 1.00 0.07 N ATOM 1226 CA ALA B 48 8.703 -4.950 1.219 1.00 0.07 C ATOM 1227 C ALA B 48 8.580 -5.979 0.132 1.00 0.08 C ATOM 1228 O ALA B 48 7.819 -6.931 0.234 1.00 0.09 O ATOM 1229 CB ALA B 48 7.806 -3.766 0.924 1.00 0.09 C ATOM 0 H ALA B 48 10.337 -3.640 1.007 1.00 0.07 H new ATOM 0 HA ALA B 48 8.371 -5.364 2.171 1.00 0.07 H new ATOM 0 HB1 ALA B 48 6.775 -4.106 0.829 1.00 0.09 H new ATOM 0 HB2 ALA B 48 7.877 -3.044 1.738 1.00 0.09 H new ATOM 0 HB3 ALA B 48 8.120 -3.295 -0.007 1.00 0.09 H new ATOM 1235 N LYS B 49 9.359 -5.782 -0.908 1.00 0.09 N ATOM 1236 CA LYS B 49 9.397 -6.701 -2.013 1.00 0.12 C ATOM 1237 C LYS B 49 10.146 -7.966 -1.590 1.00 0.15 C ATOM 1238 O LYS B 49 9.873 -9.057 -2.072 1.00 0.19 O ATOM 1239 CB LYS B 49 10.045 -5.993 -3.197 1.00 0.11 C ATOM 1240 CG LYS B 49 9.273 -4.760 -3.630 1.00 0.11 C ATOM 1241 CD LYS B 49 9.913 -4.044 -4.806 1.00 0.12 C ATOM 1242 CE LYS B 49 11.363 -3.699 -4.551 1.00 0.11 C ATOM 1243 NZ LYS B 49 12.067 -3.276 -5.790 1.00 0.20 N ATOM 0 H LYS B 49 9.981 -4.980 -1.007 1.00 0.09 H new ATOM 0 HA LYS B 49 8.397 -7.013 -2.315 1.00 0.12 H new ATOM 0 HB2 LYS B 49 11.063 -5.706 -2.932 1.00 0.11 H new ATOM 0 HB3 LYS B 49 10.117 -6.686 -4.035 1.00 0.11 H new ATOM 0 HG2 LYS B 49 8.257 -5.049 -3.897 1.00 0.11 H new ATOM 0 HG3 LYS B 49 9.198 -4.071 -2.789 1.00 0.11 H new ATOM 0 HD2 LYS B 49 9.843 -4.673 -5.693 1.00 0.12 H new ATOM 0 HD3 LYS B 49 9.357 -3.131 -5.018 1.00 0.12 H new ATOM 0 HE2 LYS B 49 11.420 -2.900 -3.812 1.00 0.11 H new ATOM 0 HE3 LYS B 49 11.871 -4.564 -4.124 1.00 0.11 H new ATOM 0 HZ1 LYS B 49 12.702 -2.481 -5.574 1.00 0.20 H new ATOM 0 HZ2 LYS B 49 12.623 -4.072 -6.162 1.00 0.20 H new ATOM 0 HZ3 LYS B 49 11.369 -2.979 -6.501 1.00 0.20 H new ATOM 1257 N LYS B 50 11.074 -7.784 -0.658 1.00 0.15 N ATOM 1258 CA LYS B 50 11.768 -8.871 0.032 1.00 0.18 C ATOM 1259 C LYS B 50 10.812 -9.650 0.910 1.00 0.20 C ATOM 1260 O LYS B 50 10.874 -10.864 0.987 1.00 0.26 O ATOM 1261 CB LYS B 50 12.856 -8.243 0.900 1.00 0.19 C ATOM 1262 CG LYS B 50 13.200 -9.020 2.158 1.00 0.24 C ATOM 1263 CD LYS B 50 14.195 -8.262 3.031 1.00 0.33 C ATOM 1264 CE LYS B 50 15.513 -8.018 2.311 1.00 1.07 C ATOM 1265 NZ LYS B 50 16.109 -9.279 1.787 1.00 1.88 N ATOM 0 H LYS B 50 11.373 -6.858 -0.353 1.00 0.15 H new ATOM 0 HA LYS B 50 12.192 -9.561 -0.698 1.00 0.18 H new ATOM 0 HB2 LYS B 50 13.760 -8.133 0.301 1.00 0.19 H new ATOM 0 HB3 LYS B 50 12.538 -7.240 1.186 1.00 0.19 H new ATOM 0 HG2 LYS B 50 12.291 -9.214 2.726 1.00 0.24 H new ATOM 0 HG3 LYS B 50 13.619 -9.989 1.885 1.00 0.24 H new ATOM 0 HD2 LYS B 50 13.762 -7.307 3.329 1.00 0.33 H new ATOM 0 HD3 LYS B 50 14.380 -8.827 3.945 1.00 0.33 H new ATOM 0 HE2 LYS B 50 15.352 -7.324 1.486 1.00 1.07 H new ATOM 0 HE3 LYS B 50 16.216 -7.542 2.995 1.00 1.07 H new ATOM 0 HZ1 LYS B 50 17.078 -9.094 1.457 1.00 1.88 H new ATOM 0 HZ2 LYS B 50 16.131 -9.993 2.543 1.00 1.88 H new ATOM 0 HZ3 LYS B 50 15.534 -9.632 0.995 1.00 1.88 H new ATOM 1279 N LEU B 51 9.950 -8.927 1.590 1.00 0.17 N ATOM 1280 CA LEU B 51 8.958 -9.521 2.456 1.00 0.17 C ATOM 1281 C LEU B 51 7.905 -10.194 1.618 1.00 0.18 C ATOM 1282 O LEU B 51 7.387 -11.261 1.957 1.00 0.20 O ATOM 1283 CB LEU B 51 8.322 -8.457 3.333 1.00 0.14 C ATOM 1284 CG LEU B 51 7.253 -8.982 4.275 1.00 0.12 C ATOM 1285 CD1 LEU B 51 7.757 -10.219 4.994 1.00 0.14 C ATOM 1286 CD2 LEU B 51 6.830 -7.899 5.250 1.00 0.13 C ATOM 0 H LEU B 51 9.918 -7.908 1.557 1.00 0.17 H new ATOM 0 HA LEU B 51 9.438 -10.259 3.099 1.00 0.17 H new ATOM 0 HB2 LEU B 51 9.102 -7.973 3.921 1.00 0.14 H new ATOM 0 HB3 LEU B 51 7.883 -7.691 2.694 1.00 0.14 H new ATOM 0 HG LEU B 51 6.373 -9.266 3.698 1.00 0.12 H new ATOM 0 HD11 LEU B 51 6.984 -10.589 5.668 1.00 0.14 H new ATOM 0 HD12 LEU B 51 8.001 -10.990 4.264 1.00 0.14 H new ATOM 0 HD13 LEU B 51 8.649 -9.968 5.568 1.00 0.14 H new ATOM 0 HD21 LEU B 51 6.063 -8.291 5.919 1.00 0.13 H new ATOM 0 HD22 LEU B 51 7.692 -7.579 5.835 1.00 0.13 H new ATOM 0 HD23 LEU B 51 6.430 -7.048 4.698 1.00 0.13 H new ATOM 1298 N ASN B 52 7.569 -9.534 0.535 1.00 0.18 N ATOM 1299 CA ASN B 52 6.775 -10.142 -0.503 1.00 0.26 C ATOM 1300 C ASN B 52 7.446 -11.439 -0.897 1.00 0.37 C ATOM 1301 O ASN B 52 6.849 -12.491 -0.828 1.00 0.63 O ATOM 1302 CB ASN B 52 6.654 -9.196 -1.699 1.00 0.40 C ATOM 1303 CG ASN B 52 5.885 -9.786 -2.853 1.00 0.79 C ATOM 1304 OD1 ASN B 52 6.461 -10.407 -3.743 1.00 1.86 O ATOM 1305 ND2 ASN B 52 4.581 -9.595 -2.854 1.00 0.29 N ATOM 0 H ASN B 52 7.837 -8.567 0.350 1.00 0.18 H new ATOM 0 HA ASN B 52 5.765 -10.344 -0.147 1.00 0.26 H new ATOM 0 HB2 ASN B 52 6.164 -8.277 -1.378 1.00 0.40 H new ATOM 0 HB3 ASN B 52 7.653 -8.923 -2.039 1.00 0.40 H new ATOM 0 HD21 ASN B 52 4.011 -9.969 -3.613 1.00 0.29 H new ATOM 0 HD22 ASN B 52 4.141 -9.073 -2.096 1.00 0.29 H new ATOM 1312 N ASP B 53 8.731 -11.350 -1.169 1.00 0.31 N ATOM 1313 CA ASP B 53 9.536 -12.501 -1.579 1.00 0.37 C ATOM 1314 C ASP B 53 9.607 -13.526 -0.478 1.00 0.38 C ATOM 1315 O ASP B 53 9.776 -14.718 -0.726 1.00 0.47 O ATOM 1316 CB ASP B 53 10.961 -12.067 -1.899 1.00 0.38 C ATOM 1317 CG ASP B 53 11.159 -11.697 -3.351 1.00 0.93 C ATOM 1318 OD1 ASP B 53 10.675 -12.444 -4.231 1.00 1.71 O ATOM 1319 OD2 ASP B 53 11.820 -10.674 -3.625 1.00 1.59 O ATOM 0 H ASP B 53 9.257 -10.478 -1.114 1.00 0.31 H new ATOM 0 HA ASP B 53 9.060 -12.931 -2.461 1.00 0.37 H new ATOM 0 HB2 ASP B 53 11.223 -11.213 -1.274 1.00 0.38 H new ATOM 0 HB3 ASP B 53 11.647 -12.874 -1.640 1.00 0.38 H new ATOM 1324 N ALA B 54 9.498 -13.045 0.742 1.00 0.30 N ATOM 1325 CA ALA B 54 9.701 -13.874 1.896 1.00 0.30 C ATOM 1326 C ALA B 54 8.556 -14.846 2.067 1.00 0.27 C ATOM 1327 O ALA B 54 8.748 -16.016 2.397 1.00 0.32 O ATOM 1328 CB ALA B 54 9.823 -13.011 3.134 1.00 0.27 C ATOM 0 H ALA B 54 9.268 -12.074 0.954 1.00 0.30 H new ATOM 0 HA ALA B 54 10.621 -14.441 1.753 1.00 0.30 H new ATOM 0 HB1 ALA B 54 9.977 -13.646 4.006 1.00 0.27 H new ATOM 0 HB2 ALA B 54 10.670 -12.334 3.024 1.00 0.27 H new ATOM 0 HB3 ALA B 54 8.910 -12.431 3.264 1.00 0.27 H new ATOM 1334 N GLN B 55 7.360 -14.340 1.831 1.00 0.23 N ATOM 1335 CA GLN B 55 6.151 -15.087 2.103 1.00 0.23 C ATOM 1336 C GLN B 55 5.490 -15.574 0.821 1.00 0.27 C ATOM 1337 O GLN B 55 4.757 -16.564 0.833 1.00 0.34 O ATOM 1338 CB GLN B 55 5.170 -14.212 2.850 1.00 0.21 C ATOM 1339 CG GLN B 55 5.709 -13.634 4.129 1.00 0.18 C ATOM 1340 CD GLN B 55 4.677 -12.754 4.773 1.00 0.20 C ATOM 1341 OE1 GLN B 55 4.588 -11.534 4.294 1.00 0.27 O flip ATOM 1342 NE2 GLN B 55 3.927 -13.176 5.648 1.00 0.19 N flip ATOM 0 H GLN B 55 7.202 -13.408 1.449 1.00 0.23 H new ATOM 0 HA GLN B 55 6.428 -15.954 2.703 1.00 0.23 H new ATOM 0 HB2 GLN B 55 4.859 -13.396 2.198 1.00 0.21 H new ATOM 0 HB3 GLN B 55 4.278 -14.796 3.076 1.00 0.21 H new ATOM 0 HG2 GLN B 55 5.989 -14.437 4.810 1.00 0.18 H new ATOM 0 HG3 GLN B 55 6.612 -13.059 3.925 1.00 0.18 H new ATOM 0 HE21 GLN B 55 4.031 -14.131 5.992 1.00 0.19 H new ATOM 0 HE22 GLN B 55 3.200 -12.572 6.031 1.00 0.19 H new ATOM 1351 N ALA B 56 5.746 -14.858 -0.278 1.00 0.27 N ATOM 1352 CA ALA B 56 5.076 -15.105 -1.550 1.00 0.32 C ATOM 1353 C ALA B 56 5.109 -16.582 -1.956 1.00 0.38 C ATOM 1354 O ALA B 56 4.059 -17.174 -2.209 1.00 0.41 O ATOM 1355 CB ALA B 56 5.684 -14.232 -2.633 1.00 0.39 C ATOM 0 H ALA B 56 6.422 -14.094 -0.307 1.00 0.27 H new ATOM 0 HA ALA B 56 4.026 -14.843 -1.423 1.00 0.32 H new ATOM 0 HB1 ALA B 56 5.179 -14.422 -3.580 1.00 0.39 H new ATOM 0 HB2 ALA B 56 5.566 -13.183 -2.363 1.00 0.39 H new ATOM 0 HB3 ALA B 56 6.744 -14.464 -2.735 1.00 0.39 H new ATOM 1416 N GLY C 36 -11.243 -7.547 -4.136 1.00 0.40 N ATOM 1417 CA GLY C 36 -10.515 -6.931 -3.051 1.00 0.20 C ATOM 1418 C GLY C 36 -9.663 -5.774 -3.512 1.00 0.15 C ATOM 1419 O GLY C 36 -9.741 -5.359 -4.664 1.00 0.22 O ATOM 0 HA2 GLY C 36 -11.220 -6.581 -2.297 1.00 0.20 H new ATOM 0 HA3 GLY C 36 -9.881 -7.678 -2.573 1.00 0.20 H new ATOM 1423 N VAL C 37 -8.863 -5.245 -2.607 1.00 0.11 N ATOM 1424 CA VAL C 37 -7.923 -4.190 -2.941 1.00 0.09 C ATOM 1425 C VAL C 37 -6.506 -4.724 -2.764 1.00 0.10 C ATOM 1426 O VAL C 37 -6.241 -5.524 -1.864 1.00 0.16 O ATOM 1427 CB VAL C 37 -8.119 -2.937 -2.055 1.00 0.09 C ATOM 1428 CG1 VAL C 37 -9.558 -2.469 -2.087 1.00 0.08 C ATOM 1429 CG2 VAL C 37 -7.675 -3.201 -0.626 1.00 0.10 C ATOM 0 H VAL C 37 -8.845 -5.530 -1.628 1.00 0.11 H new ATOM 0 HA VAL C 37 -8.098 -3.890 -3.974 1.00 0.09 H new ATOM 0 HB VAL C 37 -7.493 -2.143 -2.463 1.00 0.09 H new ATOM 0 HG11 VAL C 37 -9.668 -1.587 -1.456 1.00 0.08 H new ATOM 0 HG12 VAL C 37 -9.837 -2.220 -3.111 1.00 0.08 H new ATOM 0 HG13 VAL C 37 -10.207 -3.263 -1.717 1.00 0.08 H new ATOM 0 HG21 VAL C 37 -7.824 -2.303 -0.027 1.00 0.10 H new ATOM 0 HG22 VAL C 37 -8.262 -4.018 -0.208 1.00 0.10 H new ATOM 0 HG23 VAL C 37 -6.619 -3.472 -0.617 1.00 0.10 H new ATOM 1439 N LEU C 38 -5.619 -4.322 -3.641 1.00 0.10 N ATOM 1440 CA LEU C 38 -4.232 -4.740 -3.567 1.00 0.11 C ATOM 1441 C LEU C 38 -3.332 -3.566 -3.195 1.00 0.12 C ATOM 1442 O LEU C 38 -3.463 -2.478 -3.748 1.00 0.20 O ATOM 1443 CB LEU C 38 -3.830 -5.363 -4.914 1.00 0.13 C ATOM 1444 CG LEU C 38 -2.333 -5.436 -5.226 1.00 0.11 C ATOM 1445 CD1 LEU C 38 -1.582 -6.064 -4.085 1.00 0.78 C ATOM 1446 CD2 LEU C 38 -2.089 -6.237 -6.490 1.00 0.74 C ATOM 0 H LEU C 38 -5.831 -3.701 -4.422 1.00 0.10 H new ATOM 0 HA LEU C 38 -4.112 -5.488 -2.784 1.00 0.11 H new ATOM 0 HB2 LEU C 38 -4.234 -6.375 -4.954 1.00 0.13 H new ATOM 0 HB3 LEU C 38 -4.314 -4.795 -5.708 1.00 0.13 H new ATOM 0 HG LEU C 38 -1.973 -4.418 -5.372 1.00 0.11 H new ATOM 0 HD11 LEU C 38 -0.520 -6.106 -4.328 1.00 0.78 H new ATOM 0 HD12 LEU C 38 -1.725 -5.468 -3.184 1.00 0.78 H new ATOM 0 HD13 LEU C 38 -1.956 -7.074 -3.915 1.00 0.78 H new ATOM 0 HD21 LEU C 38 -1.019 -6.277 -6.694 1.00 0.74 H new ATOM 0 HD22 LEU C 38 -2.472 -7.249 -6.359 1.00 0.74 H new ATOM 0 HD23 LEU C 38 -2.601 -5.761 -7.327 1.00 0.74 H new ATOM 1458 N TYR C 39 -2.426 -3.792 -2.244 1.00 0.10 N ATOM 1459 CA TYR C 39 -1.453 -2.789 -1.877 1.00 0.10 C ATOM 1460 C TYR C 39 -0.435 -2.685 -2.983 1.00 0.12 C ATOM 1461 O TYR C 39 0.311 -3.627 -3.255 1.00 0.15 O ATOM 1462 CB TYR C 39 -0.749 -3.135 -0.564 1.00 0.14 C ATOM 1463 CG TYR C 39 0.231 -2.070 -0.106 1.00 0.15 C ATOM 1464 CD1 TYR C 39 1.492 -1.956 -0.682 1.00 1.09 C ATOM 1465 CD2 TYR C 39 -0.101 -1.184 0.909 1.00 1.12 C ATOM 1466 CE1 TYR C 39 2.389 -0.996 -0.262 1.00 1.09 C ATOM 1467 CE2 TYR C 39 0.790 -0.219 1.333 1.00 1.12 C ATOM 1468 CZ TYR C 39 2.033 -0.129 0.745 1.00 0.16 C ATOM 1469 OH TYR C 39 2.927 0.822 1.174 1.00 0.17 O ATOM 0 H TYR C 39 -2.354 -4.664 -1.720 1.00 0.10 H new ATOM 0 HA TYR C 39 -1.969 -1.840 -1.733 1.00 0.10 H new ATOM 0 HB2 TYR C 39 -1.499 -3.286 0.213 1.00 0.14 H new ATOM 0 HB3 TYR C 39 -0.218 -4.080 -0.683 1.00 0.14 H new ATOM 0 HD1 TYR C 39 1.775 -2.633 -1.474 1.00 1.09 H new ATOM 0 HD2 TYR C 39 -1.073 -1.251 1.375 1.00 1.12 H new ATOM 0 HE1 TYR C 39 3.364 -0.925 -0.721 1.00 1.09 H new ATOM 0 HE2 TYR C 39 0.514 0.463 2.123 1.00 1.12 H new ATOM 0 HH TYR C 39 2.789 1.651 0.670 1.00 0.17 H new ATOM 1479 N VAL C 40 -0.423 -1.556 -3.626 1.00 0.10 N ATOM 1480 CA VAL C 40 0.524 -1.314 -4.679 1.00 0.11 C ATOM 1481 C VAL C 40 1.311 -0.045 -4.406 1.00 0.10 C ATOM 1482 O VAL C 40 0.841 0.860 -3.724 1.00 0.10 O ATOM 1483 CB VAL C 40 -0.182 -1.208 -6.040 1.00 0.12 C ATOM 1484 CG1 VAL C 40 -1.112 -0.025 -6.067 1.00 0.11 C ATOM 1485 CG2 VAL C 40 0.819 -1.100 -7.169 1.00 0.13 C ATOM 0 H VAL C 40 -1.061 -0.782 -3.440 1.00 0.10 H new ATOM 0 HA VAL C 40 1.212 -2.159 -4.710 1.00 0.11 H new ATOM 0 HB VAL C 40 -0.764 -2.119 -6.180 1.00 0.12 H new ATOM 0 HG11 VAL C 40 -1.601 0.031 -7.039 1.00 0.11 H new ATOM 0 HG12 VAL C 40 -1.866 -0.137 -5.288 1.00 0.11 H new ATOM 0 HG13 VAL C 40 -0.544 0.889 -5.894 1.00 0.11 H new ATOM 0 HG21 VAL C 40 0.290 -1.027 -8.119 1.00 0.13 H new ATOM 0 HG22 VAL C 40 1.434 -0.211 -7.026 1.00 0.13 H new ATOM 0 HG23 VAL C 40 1.456 -1.984 -7.176 1.00 0.13 H new ATOM 1495 N GLY C 41 2.511 -0.004 -4.921 1.00 0.10 N ATOM 1496 CA GLY C 41 3.313 1.177 -4.832 1.00 0.09 C ATOM 1497 C GLY C 41 3.864 1.548 -6.178 1.00 0.09 C ATOM 1498 O GLY C 41 3.770 0.767 -7.120 1.00 0.09 O ATOM 0 H GLY C 41 2.953 -0.783 -5.409 1.00 0.10 H new ATOM 0 HA2 GLY C 41 2.715 1.999 -4.439 1.00 0.09 H new ATOM 0 HA3 GLY C 41 4.132 1.015 -4.131 1.00 0.09 H new ATOM 1502 N SER C 42 4.457 2.713 -6.273 1.00 0.11 N ATOM 1503 CA SER C 42 5.028 3.160 -7.524 1.00 0.12 C ATOM 1504 C SER C 42 6.381 3.785 -7.260 1.00 0.15 C ATOM 1505 O SER C 42 6.508 4.715 -6.461 1.00 0.17 O ATOM 1506 CB SER C 42 4.097 4.138 -8.245 1.00 0.12 C ATOM 1507 OG SER C 42 4.556 4.406 -9.558 1.00 0.15 O ATOM 0 H SER C 42 4.558 3.370 -5.500 1.00 0.11 H new ATOM 0 HA SER C 42 5.154 2.300 -8.182 1.00 0.12 H new ATOM 0 HB2 SER C 42 3.090 3.723 -8.286 1.00 0.12 H new ATOM 0 HB3 SER C 42 4.035 5.069 -7.681 1.00 0.12 H new ATOM 0 HG SER C 42 4.302 5.317 -9.814 1.00 0.15 H new ATOM 1513 N LYS C 43 7.387 3.230 -7.904 1.00 0.16 N ATOM 1514 CA LYS C 43 8.755 3.641 -7.701 1.00 0.19 C ATOM 1515 C LYS C 43 9.060 4.908 -8.463 1.00 0.19 C ATOM 1516 O LYS C 43 9.247 4.883 -9.670 1.00 0.19 O ATOM 1517 CB LYS C 43 9.695 2.551 -8.162 1.00 0.20 C ATOM 1518 CG LYS C 43 11.128 2.846 -7.821 1.00 0.23 C ATOM 1519 CD LYS C 43 11.292 2.981 -6.334 1.00 0.28 C ATOM 1520 CE LYS C 43 12.717 3.220 -5.929 1.00 0.34 C ATOM 1521 NZ LYS C 43 13.366 4.296 -6.729 1.00 0.89 N ATOM 0 H LYS C 43 7.275 2.479 -8.585 1.00 0.16 H new ATOM 0 HA LYS C 43 8.894 3.828 -6.636 1.00 0.19 H new ATOM 0 HB2 LYS C 43 9.403 1.606 -7.704 1.00 0.20 H new ATOM 0 HB3 LYS C 43 9.600 2.426 -9.241 1.00 0.20 H new ATOM 0 HG2 LYS C 43 11.770 2.047 -8.194 1.00 0.23 H new ATOM 0 HG3 LYS C 43 11.445 3.765 -8.314 1.00 0.23 H new ATOM 0 HD2 LYS C 43 10.674 3.805 -5.978 1.00 0.28 H new ATOM 0 HD3 LYS C 43 10.927 2.076 -5.848 1.00 0.28 H new ATOM 0 HE2 LYS C 43 12.751 3.487 -4.873 1.00 0.34 H new ATOM 0 HE3 LYS C 43 13.283 2.296 -6.043 1.00 0.34 H new ATOM 0 HZ1 LYS C 43 14.268 4.563 -6.285 1.00 0.89 H new ATOM 0 HZ2 LYS C 43 13.544 3.952 -7.694 1.00 0.89 H new ATOM 0 HZ3 LYS C 43 12.740 5.126 -6.767 1.00 0.89 H new ATOM 1535 N THR C 44 9.168 5.991 -7.742 1.00 0.23 N ATOM 1536 CA THR C 44 9.238 7.308 -8.344 1.00 0.26 C ATOM 1537 C THR C 44 10.451 8.087 -7.835 1.00 0.34 C ATOM 1538 O THR C 44 11.437 7.492 -7.397 1.00 0.37 O ATOM 1539 CB THR C 44 7.959 8.103 -8.031 1.00 0.30 C ATOM 1540 OG1 THR C 44 7.897 8.390 -6.626 1.00 0.39 O ATOM 1541 CG2 THR C 44 6.709 7.338 -8.439 1.00 0.26 C ATOM 0 H THR C 44 9.210 5.993 -6.723 1.00 0.23 H new ATOM 0 HA THR C 44 9.336 7.174 -9.421 1.00 0.26 H new ATOM 0 HB THR C 44 7.997 9.029 -8.604 1.00 0.30 H new ATOM 0 HG1 THR C 44 7.082 8.898 -6.432 1.00 0.39 H new ATOM 0 HG21 THR C 44 5.826 7.931 -8.202 1.00 0.26 H new ATOM 0 HG22 THR C 44 6.737 7.140 -9.511 1.00 0.26 H new ATOM 0 HG23 THR C 44 6.667 6.393 -7.897 1.00 0.26 H new ATOM 1549 N LYS C 45 10.378 9.417 -7.910 1.00 0.40 N ATOM 1550 CA LYS C 45 11.430 10.284 -7.389 1.00 0.49 C ATOM 1551 C LYS C 45 11.580 10.120 -5.874 1.00 0.50 C ATOM 1552 O LYS C 45 12.697 10.024 -5.368 1.00 0.57 O ATOM 1553 CB LYS C 45 11.159 11.749 -7.755 1.00 0.59 C ATOM 1554 CG LYS C 45 9.752 12.231 -7.426 1.00 1.53 C ATOM 1555 CD LYS C 45 9.597 13.725 -7.671 1.00 2.10 C ATOM 1556 CE LYS C 45 9.805 14.098 -9.133 1.00 2.43 C ATOM 1557 NZ LYS C 45 8.676 13.652 -9.993 1.00 3.18 N ATOM 0 H LYS C 45 9.595 9.917 -8.330 1.00 0.40 H new ATOM 0 HA LYS C 45 12.370 9.986 -7.852 1.00 0.49 H new ATOM 0 HB2 LYS C 45 11.877 12.380 -7.232 1.00 0.59 H new ATOM 0 HB3 LYS C 45 11.335 11.883 -8.822 1.00 0.59 H new ATOM 0 HG2 LYS C 45 9.029 11.686 -8.033 1.00 1.53 H new ATOM 0 HG3 LYS C 45 9.525 12.008 -6.383 1.00 1.53 H new ATOM 0 HD2 LYS C 45 8.602 14.041 -7.356 1.00 2.10 H new ATOM 0 HD3 LYS C 45 10.314 14.268 -7.055 1.00 2.10 H new ATOM 0 HE2 LYS C 45 9.919 15.179 -9.218 1.00 2.43 H new ATOM 0 HE3 LYS C 45 10.732 13.650 -9.492 1.00 2.43 H new ATOM 0 HZ1 LYS C 45 8.853 13.942 -10.976 1.00 3.18 H new ATOM 0 HZ2 LYS C 45 8.593 12.616 -9.947 1.00 3.18 H new ATOM 0 HZ3 LYS C 45 7.792 14.085 -9.658 1.00 3.18 H new ATOM 1571 N GLU C 46 10.457 10.083 -5.155 1.00 0.47 N ATOM 1572 CA GLU C 46 10.489 9.744 -3.735 1.00 0.51 C ATOM 1573 C GLU C 46 10.797 8.263 -3.608 1.00 0.48 C ATOM 1574 O GLU C 46 11.515 7.824 -2.708 1.00 0.55 O ATOM 1575 CB GLU C 46 9.152 10.061 -3.060 1.00 0.51 C ATOM 1576 CG GLU C 46 8.804 11.539 -3.044 1.00 0.63 C ATOM 1577 CD GLU C 46 7.430 11.800 -2.461 1.00 0.73 C ATOM 1578 OE1 GLU C 46 6.424 11.606 -3.174 1.00 0.72 O ATOM 1579 OE2 GLU C 46 7.350 12.199 -1.279 1.00 0.88 O ATOM 0 H GLU C 46 9.528 10.281 -5.527 1.00 0.47 H new ATOM 0 HA GLU C 46 11.256 10.338 -3.239 1.00 0.51 H new ATOM 0 HB2 GLU C 46 8.359 9.517 -3.574 1.00 0.51 H new ATOM 0 HB3 GLU C 46 9.178 9.693 -2.034 1.00 0.51 H new ATOM 0 HG2 GLU C 46 9.551 12.080 -2.463 1.00 0.63 H new ATOM 0 HG3 GLU C 46 8.845 11.931 -4.060 1.00 0.63 H new ATOM 1586 N GLY C 47 10.233 7.515 -4.539 1.00 0.38 N ATOM 1587 CA GLY C 47 10.559 6.126 -4.723 1.00 0.40 C ATOM 1588 C GLY C 47 9.461 5.194 -4.278 1.00 0.31 C ATOM 1589 O GLY C 47 9.389 4.071 -4.739 1.00 0.38 O ATOM 0 H GLY C 47 9.530 7.864 -5.191 1.00 0.38 H new ATOM 0 HA2 GLY C 47 10.774 5.947 -5.776 1.00 0.40 H new ATOM 0 HA3 GLY C 47 11.469 5.896 -4.168 1.00 0.40 H new ATOM 1593 N VAL C 48 8.554 5.659 -3.448 1.00 0.21 N ATOM 1594 CA VAL C 48 7.445 4.814 -3.032 1.00 0.15 C ATOM 1595 C VAL C 48 6.218 5.649 -2.712 1.00 0.10 C ATOM 1596 O VAL C 48 6.269 6.565 -1.890 1.00 0.12 O ATOM 1597 CB VAL C 48 7.811 3.909 -1.818 1.00 0.15 C ATOM 1598 CG1 VAL C 48 6.601 3.190 -1.268 1.00 0.15 C ATOM 1599 CG2 VAL C 48 8.850 2.877 -2.200 1.00 0.20 C ATOM 0 H VAL C 48 8.556 6.599 -3.051 1.00 0.21 H new ATOM 0 HA VAL C 48 7.219 4.158 -3.873 1.00 0.15 H new ATOM 0 HB VAL C 48 8.212 4.572 -1.051 1.00 0.15 H new ATOM 0 HG11 VAL C 48 6.899 2.570 -0.423 1.00 0.15 H new ATOM 0 HG12 VAL C 48 5.862 3.921 -0.939 1.00 0.15 H new ATOM 0 HG13 VAL C 48 6.168 2.560 -2.045 1.00 0.15 H new ATOM 0 HG21 VAL C 48 9.086 2.260 -1.333 1.00 0.20 H new ATOM 0 HG22 VAL C 48 8.460 2.246 -2.999 1.00 0.20 H new ATOM 0 HG23 VAL C 48 9.754 3.380 -2.544 1.00 0.20 H new ATOM 1609 N VAL C 49 5.135 5.357 -3.403 1.00 0.09 N ATOM 1610 CA VAL C 49 3.837 5.870 -3.027 1.00 0.07 C ATOM 1611 C VAL C 49 2.908 4.704 -2.764 1.00 0.08 C ATOM 1612 O VAL C 49 2.924 3.716 -3.491 1.00 0.12 O ATOM 1613 CB VAL C 49 3.217 6.799 -4.092 1.00 0.07 C ATOM 1614 CG1 VAL C 49 3.047 6.074 -5.424 1.00 0.07 C ATOM 1615 CG2 VAL C 49 1.885 7.341 -3.587 1.00 0.09 C ATOM 0 H VAL C 49 5.130 4.763 -4.232 1.00 0.09 H new ATOM 0 HA VAL C 49 3.973 6.474 -2.130 1.00 0.07 H new ATOM 0 HB VAL C 49 3.894 7.636 -4.264 1.00 0.07 H new ATOM 0 HG11 VAL C 49 2.608 6.753 -6.155 1.00 0.07 H new ATOM 0 HG12 VAL C 49 4.020 5.736 -5.781 1.00 0.07 H new ATOM 0 HG13 VAL C 49 2.391 5.214 -5.289 1.00 0.07 H new ATOM 0 HG21 VAL C 49 1.450 7.997 -4.341 1.00 0.09 H new ATOM 0 HG22 VAL C 49 1.205 6.512 -3.391 1.00 0.09 H new ATOM 0 HG23 VAL C 49 2.046 7.903 -2.667 1.00 0.09 H new ATOM 1625 N HIS C 50 2.122 4.813 -1.719 1.00 0.08 N ATOM 1626 CA HIS C 50 1.259 3.727 -1.306 1.00 0.09 C ATOM 1627 C HIS C 50 -0.108 3.904 -1.930 1.00 0.07 C ATOM 1628 O HIS C 50 -0.843 4.840 -1.601 1.00 0.09 O ATOM 1629 CB HIS C 50 1.147 3.692 0.218 1.00 0.13 C ATOM 1630 CG HIS C 50 2.329 4.305 0.903 1.00 0.17 C ATOM 1631 ND1 HIS C 50 3.558 3.697 0.908 1.00 0.23 N ATOM 1632 CD2 HIS C 50 2.421 5.499 1.527 1.00 0.20 C ATOM 1633 CE1 HIS C 50 4.370 4.533 1.528 1.00 0.28 C ATOM 1634 NE2 HIS C 50 3.726 5.641 1.923 1.00 0.26 N ATOM 0 H HIS C 50 2.061 5.647 -1.135 1.00 0.08 H new ATOM 0 HA HIS C 50 1.685 2.781 -1.641 1.00 0.09 H new ATOM 0 HB2 HIS C 50 0.243 4.219 0.523 1.00 0.13 H new ATOM 0 HB3 HIS C 50 1.039 2.658 0.546 1.00 0.13 H new ATOM 0 HD2 HIS C 50 1.620 6.206 1.684 1.00 0.20 H new ATOM 0 HE1 HIS C 50 5.421 4.348 1.696 1.00 0.28 H new ATOM 0 HE2 HIS C 50 4.129 6.435 2.421 1.00 0.26 H new ATOM 1642 N GLY C 51 -0.426 3.032 -2.858 1.00 0.06 N ATOM 1643 CA GLY C 51 -1.704 3.083 -3.506 1.00 0.05 C ATOM 1644 C GLY C 51 -2.424 1.769 -3.407 1.00 0.06 C ATOM 1645 O GLY C 51 -1.969 0.850 -2.721 1.00 0.07 O ATOM 0 H GLY C 51 0.186 2.281 -3.177 1.00 0.06 H new ATOM 0 HA2 GLY C 51 -2.311 3.867 -3.054 1.00 0.05 H new ATOM 0 HA3 GLY C 51 -1.571 3.348 -4.555 1.00 0.05 H new ATOM 1649 N VAL C 52 -3.538 1.663 -4.097 1.00 0.07 N ATOM 1650 CA VAL C 52 -4.348 0.473 -4.010 1.00 0.08 C ATOM 1651 C VAL C 52 -4.909 0.096 -5.355 1.00 0.09 C ATOM 1652 O VAL C 52 -5.450 0.926 -6.074 1.00 0.09 O ATOM 1653 CB VAL C 52 -5.487 0.607 -2.951 1.00 0.08 C ATOM 1654 CG1 VAL C 52 -5.747 2.058 -2.568 1.00 0.08 C ATOM 1655 CG2 VAL C 52 -6.784 -0.012 -3.432 1.00 0.08 C ATOM 0 H VAL C 52 -3.901 2.384 -4.721 1.00 0.07 H new ATOM 0 HA VAL C 52 -3.691 -0.330 -3.675 1.00 0.08 H new ATOM 0 HB VAL C 52 -5.136 0.066 -2.072 1.00 0.08 H new ATOM 0 HG11 VAL C 52 -6.547 2.101 -1.829 1.00 0.08 H new ATOM 0 HG12 VAL C 52 -4.840 2.491 -2.147 1.00 0.08 H new ATOM 0 HG13 VAL C 52 -6.040 2.621 -3.454 1.00 0.08 H new ATOM 0 HG21 VAL C 52 -7.549 0.104 -2.664 1.00 0.08 H new ATOM 0 HG22 VAL C 52 -7.108 0.486 -4.346 1.00 0.08 H new ATOM 0 HG23 VAL C 52 -6.629 -1.072 -3.633 1.00 0.08 H new ATOM 1665 N ALA C 53 -4.766 -1.169 -5.683 1.00 0.10 N ATOM 1666 CA ALA C 53 -5.289 -1.692 -6.910 1.00 0.10 C ATOM 1667 C ALA C 53 -6.531 -2.494 -6.607 1.00 0.09 C ATOM 1668 O ALA C 53 -6.453 -3.584 -6.048 1.00 0.12 O ATOM 1669 CB ALA C 53 -4.252 -2.564 -7.595 1.00 0.11 C ATOM 0 H ALA C 53 -4.284 -1.856 -5.104 1.00 0.10 H new ATOM 0 HA ALA C 53 -5.539 -0.871 -7.582 1.00 0.10 H new ATOM 0 HB1 ALA C 53 -4.663 -2.955 -8.526 1.00 0.11 H new ATOM 0 HB2 ALA C 53 -3.363 -1.971 -7.811 1.00 0.11 H new ATOM 0 HB3 ALA C 53 -3.984 -3.393 -6.940 1.00 0.11 H new ATOM 1675 N THR C 54 -7.674 -1.963 -6.961 1.00 0.09 N ATOM 1676 CA THR C 54 -8.920 -2.625 -6.614 1.00 0.12 C ATOM 1677 C THR C 54 -9.272 -3.658 -7.672 1.00 0.19 C ATOM 1678 O THR C 54 -9.551 -3.328 -8.823 1.00 0.45 O ATOM 1679 CB THR C 54 -10.072 -1.623 -6.388 1.00 0.14 C ATOM 1680 OG1 THR C 54 -11.338 -2.297 -6.349 1.00 0.23 O ATOM 1681 CG2 THR C 54 -10.082 -0.558 -7.459 1.00 0.14 C ATOM 0 H THR C 54 -7.775 -1.091 -7.480 1.00 0.09 H new ATOM 0 HA THR C 54 -8.775 -3.138 -5.663 1.00 0.12 H new ATOM 0 HB THR C 54 -9.906 -1.141 -5.424 1.00 0.14 H new ATOM 0 HG1 THR C 54 -12.053 -1.642 -6.203 1.00 0.23 H new ATOM 0 HG21 THR C 54 -10.903 0.135 -7.276 1.00 0.14 H new ATOM 0 HG22 THR C 54 -9.138 -0.014 -7.440 1.00 0.14 H new ATOM 0 HG23 THR C 54 -10.212 -1.025 -8.435 1.00 0.14 H new ATOM 1689 N VAL C 55 -9.256 -4.909 -7.255 1.00 0.23 N ATOM 1690 CA VAL C 55 -9.313 -6.037 -8.161 1.00 0.29 C ATOM 1691 C VAL C 55 -10.647 -6.769 -8.063 1.00 0.36 C ATOM 1692 O VAL C 55 -11.126 -7.075 -6.969 1.00 0.35 O ATOM 1693 CB VAL C 55 -8.149 -7.013 -7.860 1.00 0.29 C ATOM 1694 CG1 VAL C 55 -8.059 -7.307 -6.363 1.00 0.23 C ATOM 1695 CG2 VAL C 55 -8.293 -8.303 -8.655 1.00 0.39 C ATOM 0 H VAL C 55 -9.203 -5.172 -6.271 1.00 0.23 H new ATOM 0 HA VAL C 55 -9.217 -5.656 -9.178 1.00 0.29 H new ATOM 0 HB VAL C 55 -7.222 -6.531 -8.170 1.00 0.29 H new ATOM 0 HG11 VAL C 55 -7.234 -7.995 -6.176 1.00 0.23 H new ATOM 0 HG12 VAL C 55 -7.887 -6.378 -5.819 1.00 0.23 H new ATOM 0 HG13 VAL C 55 -8.992 -7.758 -6.024 1.00 0.23 H new ATOM 0 HG21 VAL C 55 -7.461 -8.968 -8.423 1.00 0.39 H new ATOM 0 HG22 VAL C 55 -9.232 -8.790 -8.391 1.00 0.39 H new ATOM 0 HG23 VAL C 55 -8.289 -8.076 -9.721 1.00 0.39 H new ATOM 1705 N ALA C 56 -11.241 -7.045 -9.212 1.00 0.49 N ATOM 1706 CA ALA C 56 -12.485 -7.780 -9.273 1.00 0.64 C ATOM 1707 C ALA C 56 -12.216 -9.232 -9.639 1.00 0.75 C ATOM 1708 O ALA C 56 -11.959 -9.505 -10.828 1.00 1.43 O ATOM 1709 CB ALA C 56 -13.399 -7.138 -10.291 1.00 0.86 C ATOM 1710 OXT ALA C 56 -12.256 -10.093 -8.738 1.00 1.16 O ATOM 0 H ALA C 56 -10.874 -6.766 -10.122 1.00 0.49 H new ATOM 0 HA ALA C 56 -12.969 -7.756 -8.297 1.00 0.64 H new ATOM 0 HB1 ALA C 56 -14.337 -7.691 -10.338 1.00 0.86 H new ATOM 0 HB2 ALA C 56 -13.600 -6.107 -10.000 1.00 0.86 H new ATOM 0 HB3 ALA C 56 -12.920 -7.152 -11.270 1.00 0.86 H new