USER MOD reduce.3.24.130724 H: found=0, std=0, add=558, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 455 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 6 ASN : amide:sc=-0.00491 K(o=-0.01,f=0.64) USER MOD Set 1.2: A 75 GLN : amide:sc= -0.0052 K(o=-0.01,f=0.64) USER MOD Set 2.1: A 46 LYS NZ :NH3+ -177:sc= -1.14! (180deg=-1.35) USER MOD Set 2.2: A 76 TYR OH : rot 90:sc= 0.0547 USER MOD Set 3.1: A 28 TYR OH : rot -130:sc= -1.03 USER MOD Set 3.2: A 58 HIS : no HD1:sc= -1.57 K(o=-2.6,f=-3.8!) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= -8.56! C(o=-8.6!,f=-12!) USER MOD Single : A 40 HIS : no HE2:sc= -2.45 K(o=-2.5,f=-1.8) USER MOD Single : A 41 TYR OH : rot 180:sc= -1.38 USER MOD Single : A 44 LYS NZ :NH3+ 140:sc= -5.06! (180deg=-6.79!) USER MOD Single : A 45 HIS : no HD1:sc= -1.53 K(o=-1.5,f=-2.1) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 HIS : no HE2:sc= -4.35! C(o=-4.3!,f=-9.7!) USER MOD Single : A 52 SER OG : rot 180:sc= -0.095 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot -51:sc= 1.2 USER MOD Single : A 61 LYS NZ :NH3+ 138:sc= -2.04 (180deg=-4.37!) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot -11:sc= 0.77 USER MOD Single : A 74 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 21 N VAL A 5 0.772 6.840 -10.410 1.00 0.00 N ATOM 22 CA VAL A 5 0.974 6.923 -8.973 1.00 0.00 C ATOM 23 C VAL A 5 -0.116 6.158 -8.223 1.00 0.00 C ATOM 24 O VAL A 5 0.166 5.189 -7.518 1.00 0.00 O ATOM 25 CB VAL A 5 1.010 8.391 -8.489 1.00 0.00 C ATOM 26 CG1 VAL A 5 0.741 8.479 -6.993 1.00 0.00 C ATOM 27 CG2 VAL A 5 2.351 9.027 -8.818 1.00 0.00 C ATOM 0 HA VAL A 5 1.940 6.466 -8.758 1.00 0.00 H new ATOM 0 HB VAL A 5 0.224 8.936 -9.011 1.00 0.00 H new ATOM 0 HG11 VAL A 5 0.772 9.522 -6.678 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -0.243 8.063 -6.775 1.00 0.00 H new ATOM 0 HG13 VAL A 5 1.501 7.914 -6.453 1.00 0.00 H new ATOM 0 HG21 VAL A 5 2.359 10.060 -8.470 1.00 0.00 H new ATOM 0 HG22 VAL A 5 3.148 8.472 -8.324 1.00 0.00 H new ATOM 0 HG23 VAL A 5 2.509 9.006 -9.896 1.00 0.00 H new ATOM 31 N ASN A 6 -1.357 6.610 -8.385 1.00 0.00 N ATOM 32 CA ASN A 6 -2.518 5.992 -7.731 1.00 0.00 C ATOM 33 C ASN A 6 -2.165 5.468 -6.329 1.00 0.00 C ATOM 34 O ASN A 6 -1.278 6.009 -5.669 1.00 0.00 O ATOM 35 CB ASN A 6 -3.089 4.877 -8.615 1.00 0.00 C ATOM 36 CG ASN A 6 -4.547 5.106 -8.963 1.00 0.00 C ATOM 37 OD1 ASN A 6 -4.878 5.997 -9.746 1.00 0.00 O ATOM 38 ND2 ASN A 6 -5.428 4.299 -8.383 1.00 0.00 N ATOM 0 H ASN A 6 -1.591 7.412 -8.970 1.00 0.00 H new ATOM 0 HA ASN A 6 -3.283 6.757 -7.601 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -2.505 4.810 -9.533 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -2.986 3.921 -8.101 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -6.423 4.404 -8.580 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -5.109 3.574 -7.740 1.00 0.00 H new ATOM 43 N GLU A 7 -2.861 4.425 -5.872 1.00 0.00 N ATOM 44 CA GLU A 7 -2.612 3.856 -4.550 1.00 0.00 C ATOM 45 C GLU A 7 -2.326 2.359 -4.640 1.00 0.00 C ATOM 46 O GLU A 7 -2.569 1.731 -5.670 1.00 0.00 O ATOM 47 CB GLU A 7 -3.811 4.106 -3.625 1.00 0.00 C ATOM 48 CG GLU A 7 -5.163 3.996 -4.316 1.00 0.00 C ATOM 49 CD GLU A 7 -6.244 4.792 -3.612 1.00 0.00 C ATOM 50 OE1 GLU A 7 -5.938 5.894 -3.111 1.00 0.00 O ATOM 51 OE2 GLU A 7 -7.396 4.313 -3.562 1.00 0.00 O ATOM 0 H GLU A 7 -3.600 3.959 -6.399 1.00 0.00 H new ATOM 0 HA GLU A 7 -1.733 4.348 -4.134 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -3.776 3.392 -2.802 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -3.718 5.100 -3.188 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -5.071 4.346 -5.344 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -5.460 2.948 -4.361 1.00 0.00 H new ATOM 58 N TRP A 8 -1.809 1.792 -3.551 1.00 0.00 N ATOM 59 CA TRP A 8 -1.491 0.368 -3.506 1.00 0.00 C ATOM 60 C TRP A 8 -2.688 -0.440 -3.012 1.00 0.00 C ATOM 61 O TRP A 8 -3.132 -0.262 -1.884 1.00 0.00 O ATOM 62 CB TRP A 8 -0.289 0.113 -2.590 1.00 0.00 C ATOM 63 CG TRP A 8 -0.095 -1.339 -2.275 1.00 0.00 C ATOM 64 CD1 TRP A 8 0.420 -2.290 -3.102 1.00 0.00 C ATOM 65 CD2 TRP A 8 -0.431 -2.005 -1.054 1.00 0.00 C ATOM 66 NE1 TRP A 8 0.418 -3.512 -2.475 1.00 0.00 N ATOM 67 CE2 TRP A 8 -0.095 -3.363 -1.212 1.00 0.00 C ATOM 68 CE3 TRP A 8 -0.981 -1.585 0.159 1.00 0.00 C ATOM 69 CZ2 TRP A 8 -0.295 -4.304 -0.201 1.00 0.00 C ATOM 70 CZ3 TRP A 8 -1.176 -2.517 1.160 1.00 0.00 C ATOM 71 CH2 TRP A 8 -0.835 -3.862 0.975 1.00 0.00 C ATOM 0 H TRP A 8 -1.602 2.297 -2.690 1.00 0.00 H new ATOM 0 HA TRP A 8 -1.243 0.050 -4.519 1.00 0.00 H new ATOM 0 HB2 TRP A 8 0.612 0.500 -3.065 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -0.423 0.667 -1.661 1.00 0.00 H new ATOM 0 HD1 TRP A 8 0.778 -2.110 -4.105 1.00 0.00 H new ATOM 0 HE1 TRP A 8 0.745 -4.388 -2.883 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -1.249 -0.550 0.312 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -0.033 -5.342 -0.342 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 -1.599 -2.202 2.102 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -1.002 -4.565 1.778 1.00 0.00 H new ATOM 82 N ALA A 9 -3.192 -1.337 -3.855 1.00 0.00 N ATOM 83 CA ALA A 9 -4.328 -2.179 -3.484 1.00 0.00 C ATOM 84 C ALA A 9 -3.900 -3.639 -3.363 1.00 0.00 C ATOM 85 O ALA A 9 -3.234 -4.176 -4.251 1.00 0.00 O ATOM 86 CB ALA A 9 -5.447 -2.044 -4.505 1.00 0.00 C ATOM 0 H ALA A 9 -2.834 -1.500 -4.796 1.00 0.00 H new ATOM 0 HA ALA A 9 -4.697 -1.844 -2.514 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -6.284 -2.678 -4.213 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -5.776 -1.006 -4.549 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -5.084 -2.352 -5.486 1.00 0.00 H new ATOM 92 N ALA A 10 -4.270 -4.276 -2.255 1.00 0.00 N ATOM 93 CA ALA A 10 -3.904 -5.670 -2.030 1.00 0.00 C ATOM 94 C ALA A 10 -4.918 -6.400 -1.152 1.00 0.00 C ATOM 95 O ALA A 10 -5.700 -5.775 -0.438 1.00 0.00 O ATOM 96 CB ALA A 10 -2.527 -5.740 -1.398 1.00 0.00 C ATOM 0 H ALA A 10 -4.818 -3.853 -1.506 1.00 0.00 H new ATOM 0 HA ALA A 10 -3.896 -6.169 -2.999 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -2.256 -6.782 -1.231 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -1.798 -5.277 -2.063 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -2.537 -5.210 -0.445 1.00 0.00 H new ATOM 102 N GLU A 11 -4.867 -7.730 -1.194 1.00 0.00 N ATOM 103 CA GLU A 11 -5.749 -8.570 -0.385 1.00 0.00 C ATOM 104 C GLU A 11 -4.940 -9.247 0.715 1.00 0.00 C ATOM 105 O GLU A 11 -4.029 -10.033 0.436 1.00 0.00 O ATOM 106 CB GLU A 11 -6.435 -9.628 -1.246 1.00 0.00 C ATOM 107 CG GLU A 11 -7.417 -9.048 -2.251 1.00 0.00 C ATOM 108 CD GLU A 11 -8.278 -10.111 -2.905 1.00 0.00 C ATOM 109 OE1 GLU A 11 -8.936 -10.877 -2.170 1.00 0.00 O ATOM 110 OE2 GLU A 11 -8.295 -10.177 -4.153 1.00 0.00 O ATOM 0 H GLU A 11 -4.219 -8.252 -1.784 1.00 0.00 H new ATOM 0 HA GLU A 11 -6.518 -7.938 0.059 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -5.675 -10.199 -1.780 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -6.962 -10.327 -0.597 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -8.059 -8.324 -1.750 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -6.867 -8.507 -3.021 1.00 0.00 H new ATOM 117 N ILE A 12 -5.264 -8.926 1.961 1.00 0.00 N ATOM 118 CA ILE A 12 -4.559 -9.488 3.105 1.00 0.00 C ATOM 119 C ILE A 12 -5.545 -10.087 4.125 1.00 0.00 C ATOM 120 O ILE A 12 -6.396 -9.385 4.667 1.00 0.00 O ATOM 121 CB ILE A 12 -3.648 -8.423 3.780 1.00 0.00 C ATOM 122 CG1 ILE A 12 -3.552 -8.650 5.293 1.00 0.00 C ATOM 123 CG2 ILE A 12 -4.124 -7.009 3.468 1.00 0.00 C ATOM 124 CD1 ILE A 12 -4.618 -7.921 6.092 1.00 0.00 C ATOM 0 H ILE A 12 -6.013 -8.278 2.205 1.00 0.00 H new ATOM 0 HA ILE A 12 -3.923 -10.293 2.738 1.00 0.00 H new ATOM 0 HB ILE A 12 -2.647 -8.537 3.363 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -3.626 -9.718 5.496 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -2.569 -8.328 5.638 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -3.467 -6.288 3.954 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -4.105 -6.848 2.390 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -5.141 -6.878 3.836 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -4.484 -8.131 7.153 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -4.531 -6.848 5.920 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -5.605 -8.260 5.777 1.00 0.00 H new ATOM 128 N PRO A 13 -5.455 -11.408 4.372 1.00 0.00 N ATOM 129 CA PRO A 13 -6.350 -12.122 5.300 1.00 0.00 C ATOM 130 C PRO A 13 -6.188 -11.747 6.779 1.00 0.00 C ATOM 131 O PRO A 13 -7.186 -11.582 7.483 1.00 0.00 O ATOM 132 CB PRO A 13 -5.973 -13.598 5.106 1.00 0.00 C ATOM 133 CG PRO A 13 -5.196 -13.649 3.838 1.00 0.00 C ATOM 134 CD PRO A 13 -4.503 -12.326 3.730 1.00 0.00 C ATOM 0 HA PRO A 13 -7.387 -11.871 5.075 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -5.380 -13.965 5.944 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -6.862 -14.225 5.046 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -4.476 -14.467 3.853 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -5.852 -13.818 2.984 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -3.539 -12.331 4.239 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -4.313 -12.052 2.692 1.00 0.00 H new ATOM 142 N GLY A 14 -4.950 -11.665 7.272 1.00 0.00 N ATOM 143 CA GLY A 14 -4.751 -11.371 8.686 1.00 0.00 C ATOM 144 C GLY A 14 -3.800 -10.224 8.980 1.00 0.00 C ATOM 145 O GLY A 14 -3.745 -9.745 10.113 1.00 0.00 O ATOM 0 H GLY A 14 -4.096 -11.794 6.729 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -5.719 -11.143 9.133 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -4.376 -12.268 9.178 1.00 0.00 H new ATOM 149 N GLY A 15 -3.052 -9.779 7.984 1.00 0.00 N ATOM 150 CA GLY A 15 -2.118 -8.684 8.193 1.00 0.00 C ATOM 151 C GLY A 15 -2.814 -7.351 8.401 1.00 0.00 C ATOM 152 O GLY A 15 -2.306 -6.309 7.994 1.00 0.00 O ATOM 0 H GLY A 15 -3.071 -10.152 7.035 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -1.496 -8.903 9.061 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -1.452 -8.611 7.333 1.00 0.00 H new ATOM 156 N GLN A 16 -3.985 -7.387 9.033 1.00 0.00 N ATOM 157 CA GLN A 16 -4.763 -6.183 9.293 1.00 0.00 C ATOM 158 C GLN A 16 -4.052 -5.271 10.287 1.00 0.00 C ATOM 159 O GLN A 16 -3.656 -4.155 9.945 1.00 0.00 O ATOM 160 CB GLN A 16 -6.142 -6.566 9.831 1.00 0.00 C ATOM 161 CG GLN A 16 -6.961 -7.404 8.863 1.00 0.00 C ATOM 162 CD GLN A 16 -8.322 -7.772 9.418 1.00 0.00 C ATOM 163 OE1 GLN A 16 -8.447 -8.166 10.579 1.00 0.00 O ATOM 164 NE2 GLN A 16 -9.354 -7.646 8.590 1.00 0.00 N ATOM 0 H GLN A 16 -4.417 -8.245 9.376 1.00 0.00 H new ATOM 0 HA GLN A 16 -4.875 -5.639 8.355 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -6.019 -7.118 10.763 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -6.695 -5.657 10.070 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -7.090 -6.854 7.931 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -6.412 -8.315 8.623 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -9.205 -7.316 7.636 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -10.295 -7.879 8.908 1.00 0.00 H new ATOM 171 N GLU A 17 -3.888 -5.750 11.517 1.00 0.00 N ATOM 172 CA GLU A 17 -3.220 -4.972 12.556 1.00 0.00 C ATOM 173 C GLU A 17 -1.863 -4.485 12.065 1.00 0.00 C ATOM 174 O GLU A 17 -1.405 -3.403 12.433 1.00 0.00 O ATOM 175 CB GLU A 17 -3.049 -5.813 13.823 1.00 0.00 C ATOM 176 CG GLU A 17 -4.350 -6.399 14.345 1.00 0.00 C ATOM 177 CD GLU A 17 -4.877 -5.658 15.559 1.00 0.00 C ATOM 178 OE1 GLU A 17 -4.558 -4.461 15.709 1.00 0.00 O ATOM 179 OE2 GLU A 17 -5.609 -6.277 16.360 1.00 0.00 O ATOM 0 H GLU A 17 -4.208 -6.671 11.818 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.839 -4.106 12.790 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -2.351 -6.625 13.619 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -2.601 -5.195 14.601 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -5.099 -6.373 13.554 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -4.195 -7.447 14.602 1.00 0.00 H new ATOM 186 N ALA A 18 -1.232 -5.292 11.221 1.00 0.00 N ATOM 187 CA ALA A 18 0.068 -4.951 10.661 1.00 0.00 C ATOM 188 C ALA A 18 -0.083 -3.986 9.492 1.00 0.00 C ATOM 189 O ALA A 18 0.735 -3.088 9.312 1.00 0.00 O ATOM 190 CB ALA A 18 0.799 -6.210 10.219 1.00 0.00 C ATOM 0 H ALA A 18 -1.602 -6.190 10.909 1.00 0.00 H new ATOM 0 HA ALA A 18 0.656 -4.459 11.435 1.00 0.00 H new ATOM 0 HB1 ALA A 18 1.769 -5.940 9.802 1.00 0.00 H new ATOM 0 HB2 ALA A 18 0.943 -6.867 11.077 1.00 0.00 H new ATOM 0 HB3 ALA A 18 0.210 -6.726 9.461 1.00 0.00 H new ATOM 196 N ALA A 19 -1.145 -4.177 8.709 1.00 0.00 N ATOM 197 CA ALA A 19 -1.423 -3.329 7.554 1.00 0.00 C ATOM 198 C ALA A 19 -1.400 -1.862 7.945 1.00 0.00 C ATOM 199 O ALA A 19 -0.760 -1.036 7.291 1.00 0.00 O ATOM 200 CB ALA A 19 -2.769 -3.701 6.948 1.00 0.00 C ATOM 0 H ALA A 19 -1.830 -4.918 8.857 1.00 0.00 H new ATOM 0 HA ALA A 19 -0.645 -3.490 6.808 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -2.969 -3.064 6.087 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -2.750 -4.744 6.631 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -3.554 -3.562 7.692 1.00 0.00 H new ATOM 206 N SER A 20 -2.092 -1.550 9.028 1.00 0.00 N ATOM 207 CA SER A 20 -2.148 -0.188 9.529 1.00 0.00 C ATOM 208 C SER A 20 -0.786 0.226 10.069 1.00 0.00 C ATOM 209 O SER A 20 -0.418 1.402 10.031 1.00 0.00 O ATOM 210 CB SER A 20 -3.208 -0.065 10.625 1.00 0.00 C ATOM 211 OG SER A 20 -4.446 0.371 10.091 1.00 0.00 O ATOM 0 H SER A 20 -2.624 -2.224 9.578 1.00 0.00 H new ATOM 0 HA SER A 20 -2.420 0.475 8.707 1.00 0.00 H new ATOM 0 HB2 SER A 20 -3.340 -1.028 11.117 1.00 0.00 H new ATOM 0 HB3 SER A 20 -2.869 0.638 11.386 1.00 0.00 H new ATOM 0 HG SER A 20 -5.107 0.440 10.811 1.00 0.00 H new ATOM 217 N ALA A 21 -0.039 -0.753 10.571 1.00 0.00 N ATOM 218 CA ALA A 21 1.281 -0.500 11.121 1.00 0.00 C ATOM 219 C ALA A 21 2.297 -0.224 10.020 1.00 0.00 C ATOM 220 O ALA A 21 3.292 0.466 10.242 1.00 0.00 O ATOM 221 CB ALA A 21 1.738 -1.673 11.972 1.00 0.00 C ATOM 0 H ALA A 21 -0.330 -1.730 10.606 1.00 0.00 H new ATOM 0 HA ALA A 21 1.213 0.388 11.749 1.00 0.00 H new ATOM 0 HB1 ALA A 21 2.729 -1.465 12.376 1.00 0.00 H new ATOM 0 HB2 ALA A 21 1.036 -1.823 12.792 1.00 0.00 H new ATOM 0 HB3 ALA A 21 1.777 -2.574 11.359 1.00 0.00 H new ATOM 227 N ILE A 22 2.044 -0.759 8.830 1.00 0.00 N ATOM 228 CA ILE A 22 2.939 -0.558 7.703 1.00 0.00 C ATOM 229 C ILE A 22 2.958 0.905 7.310 1.00 0.00 C ATOM 230 O ILE A 22 3.996 1.559 7.352 1.00 0.00 O ATOM 231 CB ILE A 22 2.519 -1.381 6.469 1.00 0.00 C ATOM 232 CG1 ILE A 22 1.877 -2.711 6.881 1.00 0.00 C ATOM 233 CG2 ILE A 22 3.722 -1.615 5.575 1.00 0.00 C ATOM 234 CD1 ILE A 22 1.611 -3.654 5.726 1.00 0.00 C ATOM 0 H ILE A 22 1.227 -1.334 8.624 1.00 0.00 H new ATOM 0 HA ILE A 22 3.927 -0.889 8.024 1.00 0.00 H new ATOM 0 HB ILE A 22 1.770 -0.816 5.913 1.00 0.00 H new ATOM 0 HG12 ILE A 22 2.528 -3.209 7.600 1.00 0.00 H new ATOM 0 HG13 ILE A 22 0.936 -2.505 7.392 1.00 0.00 H new ATOM 0 HG21 ILE A 22 3.420 -2.197 4.704 1.00 0.00 H new ATOM 0 HG22 ILE A 22 4.125 -0.656 5.249 1.00 0.00 H new ATOM 0 HG23 ILE A 22 4.486 -2.160 6.129 1.00 0.00 H new ATOM 0 HD11 ILE A 22 1.157 -4.571 6.102 1.00 0.00 H new ATOM 0 HD12 ILE A 22 0.934 -3.178 5.016 1.00 0.00 H new ATOM 0 HD13 ILE A 22 2.550 -3.893 5.227 1.00 0.00 H new ATOM 238 N ALA A 23 1.788 1.408 6.937 1.00 0.00 N ATOM 239 CA ALA A 23 1.638 2.801 6.535 1.00 0.00 C ATOM 240 C ALA A 23 2.330 3.727 7.527 1.00 0.00 C ATOM 241 O ALA A 23 2.898 4.752 7.151 1.00 0.00 O ATOM 242 CB ALA A 23 0.164 3.150 6.419 1.00 0.00 C ATOM 0 H ALA A 23 0.923 0.868 6.905 1.00 0.00 H new ATOM 0 HA ALA A 23 2.110 2.936 5.562 1.00 0.00 H new ATOM 0 HB1 ALA A 23 0.059 4.192 6.118 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -0.304 2.508 5.673 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -0.322 3.000 7.383 1.00 0.00 H new ATOM 248 N GLU A 24 2.275 3.350 8.795 1.00 0.00 N ATOM 249 CA GLU A 24 2.894 4.134 9.852 1.00 0.00 C ATOM 250 C GLU A 24 4.417 4.087 9.751 1.00 0.00 C ATOM 251 O GLU A 24 5.102 5.049 10.101 1.00 0.00 O ATOM 252 CB GLU A 24 2.451 3.618 11.221 1.00 0.00 C ATOM 253 CG GLU A 24 0.975 3.839 11.507 1.00 0.00 C ATOM 254 CD GLU A 24 0.548 3.262 12.842 1.00 0.00 C ATOM 255 OE1 GLU A 24 1.199 2.304 13.310 1.00 0.00 O ATOM 256 OE2 GLU A 24 -0.437 3.767 13.421 1.00 0.00 O ATOM 0 H GLU A 24 1.807 2.503 9.118 1.00 0.00 H new ATOM 0 HA GLU A 24 2.572 5.169 9.735 1.00 0.00 H new ATOM 0 HB2 GLU A 24 2.669 2.552 11.286 1.00 0.00 H new ATOM 0 HB3 GLU A 24 3.040 4.112 11.994 1.00 0.00 H new ATOM 0 HG2 GLU A 24 0.762 4.908 11.492 1.00 0.00 H new ATOM 0 HG3 GLU A 24 0.383 3.385 10.713 1.00 0.00 H new ATOM 263 N GLU A 25 4.939 2.957 9.285 1.00 0.00 N ATOM 264 CA GLU A 25 6.382 2.775 9.155 1.00 0.00 C ATOM 265 C GLU A 25 6.938 3.458 7.903 1.00 0.00 C ATOM 266 O GLU A 25 7.467 4.567 7.976 1.00 0.00 O ATOM 267 CB GLU A 25 6.725 1.284 9.132 1.00 0.00 C ATOM 268 CG GLU A 25 6.833 0.662 10.515 1.00 0.00 C ATOM 269 CD GLU A 25 8.270 0.410 10.931 1.00 0.00 C ATOM 270 OE1 GLU A 25 8.875 -0.556 10.420 1.00 0.00 O ATOM 271 OE2 GLU A 25 8.789 1.179 11.767 1.00 0.00 O ATOM 0 H GLU A 25 4.385 2.153 8.991 1.00 0.00 H new ATOM 0 HA GLU A 25 6.849 3.245 10.021 1.00 0.00 H new ATOM 0 HB2 GLU A 25 5.962 0.753 8.563 1.00 0.00 H new ATOM 0 HB3 GLU A 25 7.669 1.145 8.606 1.00 0.00 H new ATOM 0 HG2 GLU A 25 6.358 1.319 11.243 1.00 0.00 H new ATOM 0 HG3 GLU A 25 6.284 -0.280 10.530 1.00 0.00 H new ATOM 278 N LEU A 26 6.838 2.782 6.759 1.00 0.00 N ATOM 279 CA LEU A 26 7.354 3.313 5.500 1.00 0.00 C ATOM 280 C LEU A 26 6.827 4.719 5.198 1.00 0.00 C ATOM 281 O LEU A 26 7.468 5.484 4.476 1.00 0.00 O ATOM 282 CB LEU A 26 7.053 2.345 4.350 1.00 0.00 C ATOM 283 CG LEU A 26 5.610 2.292 3.833 1.00 0.00 C ATOM 284 CD1 LEU A 26 5.317 0.924 3.255 1.00 0.00 C ATOM 285 CD2 LEU A 26 4.585 2.628 4.910 1.00 0.00 C ATOM 0 H LEU A 26 6.403 1.863 6.679 1.00 0.00 H new ATOM 0 HA LEU A 26 8.435 3.406 5.603 1.00 0.00 H new ATOM 0 HB2 LEU A 26 7.702 2.604 3.513 1.00 0.00 H new ATOM 0 HB3 LEU A 26 7.333 1.342 4.672 1.00 0.00 H new ATOM 0 HG LEU A 26 5.522 3.053 3.057 1.00 0.00 H new ATOM 0 HD11 LEU A 26 4.290 0.895 2.890 1.00 0.00 H new ATOM 0 HD12 LEU A 26 6.001 0.723 2.430 1.00 0.00 H new ATOM 0 HD13 LEU A 26 5.449 0.167 4.028 1.00 0.00 H new ATOM 0 HD21 LEU A 26 3.582 2.575 4.487 1.00 0.00 H new ATOM 0 HD22 LEU A 26 4.671 1.915 5.730 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.768 3.635 5.285 1.00 0.00 H new ATOM 291 N GLY A 27 5.681 5.069 5.770 1.00 0.00 N ATOM 292 CA GLY A 27 5.123 6.398 5.564 1.00 0.00 C ATOM 293 C GLY A 27 4.015 6.460 4.524 1.00 0.00 C ATOM 294 O GLY A 27 4.199 7.035 3.451 1.00 0.00 O ATOM 0 H GLY A 27 5.127 4.460 6.372 1.00 0.00 H new ATOM 0 HA2 GLY A 27 4.735 6.767 6.513 1.00 0.00 H new ATOM 0 HA3 GLY A 27 5.925 7.073 5.264 1.00 0.00 H new ATOM 298 N TYR A 28 2.855 5.896 4.848 1.00 0.00 N ATOM 299 CA TYR A 28 1.706 5.922 3.941 1.00 0.00 C ATOM 300 C TYR A 28 0.397 5.886 4.720 1.00 0.00 C ATOM 301 O TYR A 28 0.395 5.784 5.946 1.00 0.00 O ATOM 302 CB TYR A 28 1.751 4.746 2.960 1.00 0.00 C ATOM 303 CG TYR A 28 2.760 4.912 1.856 1.00 0.00 C ATOM 304 CD1 TYR A 28 4.070 4.537 2.057 1.00 0.00 C ATOM 305 CD2 TYR A 28 2.405 5.430 0.619 1.00 0.00 C ATOM 306 CE1 TYR A 28 5.015 4.664 1.068 1.00 0.00 C ATOM 307 CE2 TYR A 28 3.342 5.568 -0.387 1.00 0.00 C ATOM 308 CZ TYR A 28 4.647 5.181 -0.161 1.00 0.00 C ATOM 309 OH TYR A 28 5.580 5.321 -1.165 1.00 0.00 O ATOM 0 H TYR A 28 2.683 5.415 5.731 1.00 0.00 H new ATOM 0 HA TYR A 28 1.758 6.853 3.377 1.00 0.00 H new ATOM 0 HB2 TYR A 28 1.977 3.834 3.512 1.00 0.00 H new ATOM 0 HB3 TYR A 28 0.763 4.615 2.519 1.00 0.00 H new ATOM 0 HD1 TYR A 28 4.361 4.133 3.015 1.00 0.00 H new ATOM 0 HD2 TYR A 28 1.383 5.729 0.440 1.00 0.00 H new ATOM 0 HE1 TYR A 28 6.036 4.363 1.249 1.00 0.00 H new ATOM 0 HE2 TYR A 28 3.055 5.976 -1.345 1.00 0.00 H new ATOM 0 HH TYR A 28 5.532 6.228 -1.532 1.00 0.00 H new ATOM 319 N ASP A 29 -0.714 5.948 3.995 1.00 0.00 N ATOM 320 CA ASP A 29 -2.035 5.893 4.609 1.00 0.00 C ATOM 321 C ASP A 29 -2.715 4.592 4.215 1.00 0.00 C ATOM 322 O ASP A 29 -3.251 4.471 3.115 1.00 0.00 O ATOM 323 CB ASP A 29 -2.894 7.082 4.177 1.00 0.00 C ATOM 324 CG ASP A 29 -2.215 8.415 4.425 1.00 0.00 C ATOM 325 OD1 ASP A 29 -0.983 8.425 4.637 1.00 0.00 O ATOM 326 OD2 ASP A 29 -2.914 9.449 4.409 1.00 0.00 O ATOM 0 H ASP A 29 -0.726 6.037 2.979 1.00 0.00 H new ATOM 0 HA ASP A 29 -1.919 5.939 5.692 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -3.128 6.990 3.116 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -3.841 7.056 4.716 1.00 0.00 H new ATOM 331 N LEU A 30 -2.665 3.613 5.106 1.00 0.00 N ATOM 332 CA LEU A 30 -3.248 2.307 4.834 1.00 0.00 C ATOM 333 C LEU A 30 -4.715 2.249 5.241 1.00 0.00 C ATOM 334 O LEU A 30 -5.071 2.626 6.355 1.00 0.00 O ATOM 335 CB LEU A 30 -2.457 1.227 5.575 1.00 0.00 C ATOM 336 CG LEU A 30 -3.105 -0.161 5.618 1.00 0.00 C ATOM 337 CD1 LEU A 30 -4.029 -0.287 6.817 1.00 0.00 C ATOM 338 CD2 LEU A 30 -3.842 -0.464 4.319 1.00 0.00 C ATOM 0 H LEU A 30 -2.227 3.698 6.023 1.00 0.00 H new ATOM 0 HA LEU A 30 -3.196 2.132 3.759 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -1.477 1.136 5.107 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -2.292 1.562 6.599 1.00 0.00 H new ATOM 0 HG LEU A 30 -2.312 -0.901 5.726 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -4.478 -1.280 6.828 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.458 -0.137 7.733 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -4.815 0.466 6.752 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -4.292 -1.455 4.378 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -4.623 0.280 4.162 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -3.139 -0.434 3.486 1.00 0.00 H new ATOM 344 N LEU A 31 -5.559 1.755 4.333 1.00 0.00 N ATOM 345 CA LEU A 31 -6.977 1.635 4.601 1.00 0.00 C ATOM 346 C LEU A 31 -7.570 0.407 3.932 1.00 0.00 C ATOM 347 O LEU A 31 -7.914 0.422 2.750 1.00 0.00 O ATOM 348 CB LEU A 31 -7.751 2.879 4.150 1.00 0.00 C ATOM 349 CG LEU A 31 -7.253 4.226 4.689 1.00 0.00 C ATOM 350 CD1 LEU A 31 -7.143 4.198 6.205 1.00 0.00 C ATOM 351 CD2 LEU A 31 -5.922 4.605 4.051 1.00 0.00 C ATOM 0 H LEU A 31 -5.276 1.434 3.407 1.00 0.00 H new ATOM 0 HA LEU A 31 -7.076 1.534 5.682 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -7.730 2.918 3.061 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -8.793 2.758 4.444 1.00 0.00 H new ATOM 0 HG LEU A 31 -7.984 4.989 4.422 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -6.788 5.165 6.562 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -8.122 3.989 6.637 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -6.440 3.420 6.505 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -5.588 5.564 4.448 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.179 3.840 4.277 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -6.045 4.683 2.971 1.00 0.00 H new ATOM 357 N GLY A 32 -7.693 -0.646 4.713 1.00 0.00 N ATOM 358 CA GLY A 32 -8.258 -1.887 4.220 1.00 0.00 C ATOM 359 C GLY A 32 -9.522 -2.289 4.951 1.00 0.00 C ATOM 360 O GLY A 32 -9.468 -3.027 5.936 1.00 0.00 O ATOM 0 H GLY A 32 -7.409 -0.668 5.693 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -8.476 -1.784 3.157 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -7.519 -2.682 4.319 1.00 0.00 H new ATOM 364 N GLN A 33 -10.662 -1.808 4.471 1.00 0.00 N ATOM 365 CA GLN A 33 -11.941 -2.130 5.089 1.00 0.00 C ATOM 366 C GLN A 33 -13.066 -2.116 4.058 1.00 0.00 C ATOM 367 O GLN A 33 -13.694 -1.083 3.823 1.00 0.00 O ATOM 368 CB GLN A 33 -12.242 -1.145 6.219 1.00 0.00 C ATOM 369 CG GLN A 33 -12.317 -1.799 7.589 1.00 0.00 C ATOM 370 CD GLN A 33 -13.113 -0.981 8.586 1.00 0.00 C ATOM 371 OE1 GLN A 33 -13.058 0.249 8.582 1.00 0.00 O ATOM 372 NE2 GLN A 33 -13.858 -1.662 9.449 1.00 0.00 N ATOM 0 H GLN A 33 -10.727 -1.195 3.658 1.00 0.00 H new ATOM 0 HA GLN A 33 -11.877 -3.136 5.504 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -11.471 -0.375 6.234 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -13.188 -0.644 6.012 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -12.770 -2.786 7.491 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -11.307 -1.948 7.972 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -13.873 -2.681 9.416 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -14.415 -1.166 10.145 1.00 0.00 H new ATOM 379 N ILE A 34 -13.323 -3.272 3.453 1.00 0.00 N ATOM 380 CA ILE A 34 -14.381 -3.392 2.452 1.00 0.00 C ATOM 381 C ILE A 34 -15.590 -4.112 3.027 1.00 0.00 C ATOM 382 O ILE A 34 -16.716 -3.618 2.964 1.00 0.00 O ATOM 383 CB ILE A 34 -13.917 -4.120 1.165 1.00 0.00 C ATOM 384 CG1 ILE A 34 -12.494 -4.663 1.312 1.00 0.00 C ATOM 385 CG2 ILE A 34 -14.003 -3.182 -0.031 1.00 0.00 C ATOM 386 CD1 ILE A 34 -12.415 -5.912 2.155 1.00 0.00 C ATOM 0 H ILE A 34 -12.815 -4.137 3.637 1.00 0.00 H new ATOM 0 HA ILE A 34 -14.651 -2.373 2.177 1.00 0.00 H new ATOM 0 HB ILE A 34 -14.583 -4.968 1.002 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -12.090 -4.875 0.322 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -11.863 -3.893 1.756 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -13.674 -3.706 -0.929 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -15.034 -2.851 -0.161 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -13.363 -2.316 0.139 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -11.379 -6.243 2.218 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -12.790 -5.699 3.156 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -13.020 -6.697 1.700 1.00 0.00 H new ATOM 390 N GLY A 35 -15.338 -5.275 3.592 1.00 0.00 N ATOM 391 CA GLY A 35 -16.404 -6.062 4.189 1.00 0.00 C ATOM 392 C GLY A 35 -16.773 -7.279 3.363 1.00 0.00 C ATOM 393 O GLY A 35 -17.007 -8.357 3.910 1.00 0.00 O ATOM 0 H GLY A 35 -14.411 -5.697 3.652 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -16.097 -6.384 5.184 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -17.286 -5.434 4.315 1.00 0.00 H new ATOM 397 N SER A 36 -16.827 -7.109 2.043 1.00 0.00 N ATOM 398 CA SER A 36 -17.172 -8.205 1.138 1.00 0.00 C ATOM 399 C SER A 36 -16.417 -9.479 1.508 1.00 0.00 C ATOM 400 O SER A 36 -17.008 -10.457 1.965 1.00 0.00 O ATOM 401 CB SER A 36 -16.856 -7.815 -0.307 1.00 0.00 C ATOM 402 OG SER A 36 -17.928 -7.090 -0.887 1.00 0.00 O ATOM 0 H SER A 36 -16.636 -6.223 1.576 1.00 0.00 H new ATOM 0 HA SER A 36 -18.240 -8.398 1.233 1.00 0.00 H new ATOM 0 HB2 SER A 36 -15.949 -7.212 -0.334 1.00 0.00 H new ATOM 0 HB3 SER A 36 -16.660 -8.712 -0.894 1.00 0.00 H new ATOM 0 HG SER A 36 -17.700 -6.851 -1.810 1.00 0.00 H new ATOM 408 N LEU A 37 -15.105 -9.449 1.317 1.00 0.00 N ATOM 409 CA LEU A 37 -14.252 -10.586 1.639 1.00 0.00 C ATOM 410 C LEU A 37 -13.406 -10.292 2.870 1.00 0.00 C ATOM 411 O LEU A 37 -12.778 -11.183 3.441 1.00 0.00 O ATOM 412 CB LEU A 37 -13.349 -10.920 0.454 1.00 0.00 C ATOM 413 CG LEU A 37 -12.743 -9.713 -0.268 1.00 0.00 C ATOM 414 CD1 LEU A 37 -13.777 -9.027 -1.149 1.00 0.00 C ATOM 415 CD2 LEU A 37 -12.138 -8.729 0.723 1.00 0.00 C ATOM 0 H LEU A 37 -14.605 -8.644 0.938 1.00 0.00 H new ATOM 0 HA LEU A 37 -14.890 -11.443 1.853 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -12.538 -11.557 0.805 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -13.923 -11.503 -0.266 1.00 0.00 H new ATOM 0 HG LEU A 37 -11.942 -10.078 -0.911 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -13.320 -8.174 -1.650 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -14.144 -9.732 -1.895 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -14.609 -8.684 -0.534 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -11.715 -7.882 0.183 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -12.913 -8.375 1.403 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -11.352 -9.224 1.294 1.00 0.00 H new ATOM 421 N GLU A 38 -13.400 -9.024 3.261 1.00 0.00 N ATOM 422 CA GLU A 38 -12.648 -8.553 4.415 1.00 0.00 C ATOM 423 C GLU A 38 -11.232 -9.110 4.435 1.00 0.00 C ATOM 424 O GLU A 38 -10.987 -10.220 4.908 1.00 0.00 O ATOM 425 CB GLU A 38 -13.382 -8.897 5.703 1.00 0.00 C ATOM 426 CG GLU A 38 -13.782 -10.355 5.810 1.00 0.00 C ATOM 427 CD GLU A 38 -14.367 -10.705 7.163 1.00 0.00 C ATOM 428 OE1 GLU A 38 -15.269 -9.976 7.627 1.00 0.00 O ATOM 429 OE2 GLU A 38 -13.924 -11.708 7.761 1.00 0.00 O ATOM 0 H GLU A 38 -13.921 -8.289 2.782 1.00 0.00 H new ATOM 0 HA GLU A 38 -12.567 -7.469 4.336 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -12.747 -8.641 6.551 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -14.276 -8.278 5.776 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -14.511 -10.585 5.033 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -12.910 -10.981 5.623 1.00 0.00 H new ATOM 436 N ASN A 39 -10.305 -8.312 3.916 1.00 0.00 N ATOM 437 CA ASN A 39 -8.894 -8.682 3.854 1.00 0.00 C ATOM 438 C ASN A 39 -8.107 -7.665 3.033 1.00 0.00 C ATOM 439 O ASN A 39 -6.916 -7.466 3.242 1.00 0.00 O ATOM 440 CB ASN A 39 -8.728 -10.100 3.277 1.00 0.00 C ATOM 441 CG ASN A 39 -8.180 -10.114 1.862 1.00 0.00 C ATOM 442 OD1 ASN A 39 -7.133 -10.704 1.595 1.00 0.00 O ATOM 443 ND2 ASN A 39 -8.887 -9.463 0.950 1.00 0.00 N ATOM 0 H ASN A 39 -10.509 -7.392 3.527 1.00 0.00 H new ATOM 0 HA ASN A 39 -8.495 -8.681 4.868 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -8.061 -10.671 3.923 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -9.694 -10.605 3.290 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -8.569 -9.437 -0.019 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -9.749 -8.988 1.217 1.00 0.00 H new ATOM 448 N HIS A 40 -8.793 -7.036 2.098 1.00 0.00 N ATOM 449 CA HIS A 40 -8.196 -6.035 1.227 1.00 0.00 C ATOM 450 C HIS A 40 -7.668 -4.851 2.029 1.00 0.00 C ATOM 451 O HIS A 40 -8.296 -4.405 2.987 1.00 0.00 O ATOM 452 CB HIS A 40 -9.226 -5.551 0.204 1.00 0.00 C ATOM 453 CG HIS A 40 -8.616 -4.881 -0.989 1.00 0.00 C ATOM 454 ND1 HIS A 40 -8.706 -3.524 -1.218 1.00 0.00 N ATOM 455 CD2 HIS A 40 -7.905 -5.388 -2.025 1.00 0.00 C ATOM 456 CE1 HIS A 40 -8.077 -3.225 -2.341 1.00 0.00 C ATOM 457 NE2 HIS A 40 -7.583 -4.338 -2.849 1.00 0.00 N ATOM 0 H HIS A 40 -9.783 -7.203 1.919 1.00 0.00 H new ATOM 0 HA HIS A 40 -7.356 -6.496 0.707 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -9.820 -6.401 -0.131 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -9.910 -4.856 0.691 1.00 0.00 H new ATOM 0 HD1 HIS A 40 -9.184 -2.855 -0.614 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -7.641 -6.424 -2.175 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -7.983 -2.238 -2.770 1.00 0.00 H new ATOM 466 N TYR A 41 -6.510 -4.348 1.621 1.00 0.00 N ATOM 467 CA TYR A 41 -5.882 -3.214 2.285 1.00 0.00 C ATOM 468 C TYR A 41 -5.135 -2.369 1.261 1.00 0.00 C ATOM 469 O TYR A 41 -4.528 -2.905 0.334 1.00 0.00 O ATOM 470 CB TYR A 41 -4.946 -3.708 3.391 1.00 0.00 C ATOM 471 CG TYR A 41 -5.644 -3.925 4.720 1.00 0.00 C ATOM 472 CD1 TYR A 41 -6.487 -5.013 4.915 1.00 0.00 C ATOM 473 CD2 TYR A 41 -5.468 -3.041 5.776 1.00 0.00 C ATOM 474 CE1 TYR A 41 -7.130 -5.212 6.122 1.00 0.00 C ATOM 475 CE2 TYR A 41 -6.108 -3.233 6.986 1.00 0.00 C ATOM 476 CZ TYR A 41 -6.937 -4.321 7.153 1.00 0.00 C ATOM 477 OH TYR A 41 -7.576 -4.516 8.356 1.00 0.00 O ATOM 0 H TYR A 41 -5.983 -4.711 0.827 1.00 0.00 H new ATOM 0 HA TYR A 41 -6.647 -2.590 2.748 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -4.484 -4.643 3.075 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -4.142 -2.985 3.526 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -6.642 -5.715 4.109 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -4.819 -2.187 5.650 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -7.781 -6.063 6.256 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -5.959 -2.534 7.796 1.00 0.00 H new ATOM 0 HH TYR A 41 -7.331 -3.798 8.977 1.00 0.00 H new ATOM 487 N LEU A 42 -5.213 -1.046 1.397 1.00 0.00 N ATOM 488 CA LEU A 42 -4.567 -0.163 0.431 1.00 0.00 C ATOM 489 C LEU A 42 -3.922 1.061 1.089 1.00 0.00 C ATOM 490 O LEU A 42 -4.451 1.613 2.051 1.00 0.00 O ATOM 491 CB LEU A 42 -5.597 0.251 -0.625 1.00 0.00 C ATOM 492 CG LEU A 42 -6.167 1.665 -0.494 1.00 0.00 C ATOM 493 CD1 LEU A 42 -6.046 2.400 -1.817 1.00 0.00 C ATOM 494 CD2 LEU A 42 -7.612 1.617 -0.028 1.00 0.00 C ATOM 0 H LEU A 42 -5.707 -0.570 2.152 1.00 0.00 H new ATOM 0 HA LEU A 42 -3.751 -0.709 -0.042 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -5.136 0.157 -1.608 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -6.425 -0.457 -0.592 1.00 0.00 H new ATOM 0 HG LEU A 42 -5.592 2.209 0.255 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -6.454 3.405 -1.713 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -4.996 2.463 -2.104 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -6.600 1.861 -2.585 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -8.000 2.632 0.059 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -8.209 1.061 -0.751 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -7.665 1.124 0.942 1.00 0.00 H new ATOM 500 N PHE A 43 -2.774 1.479 0.550 1.00 0.00 N ATOM 501 CA PHE A 43 -2.049 2.639 1.072 1.00 0.00 C ATOM 502 C PHE A 43 -2.306 3.886 0.219 1.00 0.00 C ATOM 503 O PHE A 43 -2.621 3.781 -0.966 1.00 0.00 O ATOM 504 CB PHE A 43 -0.543 2.360 1.101 1.00 0.00 C ATOM 505 CG PHE A 43 -0.114 1.262 2.041 1.00 0.00 C ATOM 506 CD1 PHE A 43 -1.041 0.469 2.702 1.00 0.00 C ATOM 507 CD2 PHE A 43 1.233 1.020 2.252 1.00 0.00 C ATOM 508 CE1 PHE A 43 -0.630 -0.539 3.554 1.00 0.00 C ATOM 509 CE2 PHE A 43 1.648 0.012 3.099 1.00 0.00 C ATOM 510 CZ PHE A 43 0.715 -0.768 3.751 1.00 0.00 C ATOM 0 H PHE A 43 -2.326 1.030 -0.249 1.00 0.00 H new ATOM 0 HA PHE A 43 -2.411 2.821 2.084 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -0.218 2.102 0.093 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -0.024 3.278 1.378 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -2.096 0.641 2.549 1.00 0.00 H new ATOM 0 HD2 PHE A 43 1.969 1.628 1.747 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -1.362 -1.147 4.065 1.00 0.00 H new ATOM 0 HE2 PHE A 43 2.702 -0.166 3.251 1.00 0.00 H new ATOM 0 HZ PHE A 43 1.038 -1.557 4.415 1.00 0.00 H new ATOM 520 N LYS A 44 -2.158 5.065 0.828 1.00 0.00 N ATOM 521 CA LYS A 44 -2.361 6.329 0.117 1.00 0.00 C ATOM 522 C LYS A 44 -1.500 7.444 0.708 1.00 0.00 C ATOM 523 O LYS A 44 -1.896 8.095 1.674 1.00 0.00 O ATOM 524 CB LYS A 44 -3.831 6.751 0.168 1.00 0.00 C ATOM 525 CG LYS A 44 -4.777 5.755 -0.472 1.00 0.00 C ATOM 526 CD LYS A 44 -5.159 4.659 0.507 1.00 0.00 C ATOM 527 CE LYS A 44 -6.646 4.678 0.839 1.00 0.00 C ATOM 528 NZ LYS A 44 -7.490 4.974 -0.352 1.00 0.00 N ATOM 0 H LYS A 44 -1.899 5.170 1.809 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.065 6.166 -0.919 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -4.121 6.897 1.208 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -3.940 7.714 -0.331 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -5.674 6.270 -0.815 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -4.306 5.314 -1.351 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -4.895 3.689 0.086 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -4.582 4.776 1.424 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -6.935 3.713 1.255 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -6.834 5.426 1.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -8.340 4.376 -0.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -7.771 5.975 -0.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -6.949 4.778 -1.218 1.00 0.00 H new ATOM 542 N HIS A 45 -0.329 7.676 0.121 1.00 0.00 N ATOM 543 CA HIS A 45 0.560 8.731 0.602 1.00 0.00 C ATOM 544 C HIS A 45 1.843 8.807 -0.216 1.00 0.00 C ATOM 545 O HIS A 45 2.844 8.175 0.120 1.00 0.00 O ATOM 546 CB HIS A 45 0.896 8.521 2.077 1.00 0.00 C ATOM 547 CG HIS A 45 0.700 9.745 2.915 1.00 0.00 C ATOM 548 ND1 HIS A 45 -0.379 10.592 2.773 1.00 0.00 N ATOM 549 CD2 HIS A 45 1.455 10.268 3.912 1.00 0.00 C ATOM 550 CE1 HIS A 45 -0.280 11.581 3.643 1.00 0.00 C ATOM 551 NE2 HIS A 45 0.823 11.407 4.346 1.00 0.00 N ATOM 0 H HIS A 45 0.025 7.154 -0.681 1.00 0.00 H new ATOM 0 HA HIS A 45 0.030 9.676 0.486 1.00 0.00 H new ATOM 0 HB2 HIS A 45 0.275 7.717 2.472 1.00 0.00 H new ATOM 0 HB3 HIS A 45 1.932 8.194 2.162 1.00 0.00 H new ATOM 0 HD2 HIS A 45 2.381 9.864 4.294 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -0.982 12.393 3.759 1.00 0.00 H new ATOM 0 HE2 HIS A 45 1.153 12.020 5.092 1.00 0.00 H new ATOM 560 N LYS A 46 1.812 9.600 -1.281 1.00 0.00 N ATOM 561 CA LYS A 46 2.980 9.774 -2.134 1.00 0.00 C ATOM 562 C LYS A 46 3.516 11.197 -2.022 1.00 0.00 C ATOM 563 O LYS A 46 3.032 12.108 -2.693 1.00 0.00 O ATOM 564 CB LYS A 46 2.635 9.463 -3.590 1.00 0.00 C ATOM 565 CG LYS A 46 2.302 8.003 -3.842 1.00 0.00 C ATOM 566 CD LYS A 46 3.558 7.151 -3.944 1.00 0.00 C ATOM 567 CE LYS A 46 3.242 5.670 -3.809 1.00 0.00 C ATOM 568 NZ LYS A 46 3.264 4.976 -5.126 1.00 0.00 N ATOM 0 H LYS A 46 0.992 10.131 -1.573 1.00 0.00 H new ATOM 0 HA LYS A 46 3.750 9.079 -1.799 1.00 0.00 H new ATOM 0 HB2 LYS A 46 1.786 10.077 -3.892 1.00 0.00 H new ATOM 0 HB3 LYS A 46 3.476 9.749 -4.222 1.00 0.00 H new ATOM 0 HG2 LYS A 46 1.672 7.628 -3.035 1.00 0.00 H new ATOM 0 HG3 LYS A 46 1.726 7.914 -4.763 1.00 0.00 H new ATOM 0 HD2 LYS A 46 4.046 7.334 -4.902 1.00 0.00 H new ATOM 0 HD3 LYS A 46 4.262 7.446 -3.166 1.00 0.00 H new ATOM 0 HE2 LYS A 46 3.966 5.204 -3.141 1.00 0.00 H new ATOM 0 HE3 LYS A 46 2.261 5.548 -3.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 2.994 3.980 -4.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 2.592 5.437 -5.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 4.221 5.026 -5.529 1.00 0.00 H new ATOM 582 N SER A 47 4.512 11.378 -1.164 1.00 0.00 N ATOM 583 CA SER A 47 5.118 12.686 -0.950 1.00 0.00 C ATOM 584 C SER A 47 5.476 13.361 -2.274 1.00 0.00 C ATOM 585 O SER A 47 4.919 14.402 -2.621 1.00 0.00 O ATOM 586 CB SER A 47 6.366 12.547 -0.078 1.00 0.00 C ATOM 587 OG SER A 47 6.322 13.437 1.024 1.00 0.00 O ATOM 0 H SER A 47 4.919 10.631 -0.602 1.00 0.00 H new ATOM 0 HA SER A 47 4.388 13.315 -0.441 1.00 0.00 H new ATOM 0 HB2 SER A 47 6.449 11.522 0.282 1.00 0.00 H new ATOM 0 HB3 SER A 47 7.255 12.748 -0.676 1.00 0.00 H new ATOM 0 HG SER A 47 7.131 13.327 1.566 1.00 0.00 H new ATOM 593 N HIS A 48 6.414 12.764 -3.001 1.00 0.00 N ATOM 594 CA HIS A 48 6.850 13.317 -4.283 1.00 0.00 C ATOM 595 C HIS A 48 6.041 12.761 -5.463 1.00 0.00 C ATOM 596 O HIS A 48 5.726 13.501 -6.395 1.00 0.00 O ATOM 597 CB HIS A 48 8.354 13.078 -4.519 1.00 0.00 C ATOM 598 CG HIS A 48 8.952 11.981 -3.690 1.00 0.00 C ATOM 599 ND1 HIS A 48 9.120 12.075 -2.325 1.00 0.00 N ATOM 600 CD2 HIS A 48 9.416 10.759 -4.040 1.00 0.00 C ATOM 601 CE1 HIS A 48 9.659 10.958 -1.872 1.00 0.00 C ATOM 602 NE2 HIS A 48 9.849 10.141 -2.892 1.00 0.00 N ATOM 0 H HIS A 48 6.886 11.902 -2.729 1.00 0.00 H new ATOM 0 HA HIS A 48 6.669 14.391 -4.229 1.00 0.00 H new ATOM 0 HB2 HIS A 48 8.510 12.845 -5.572 1.00 0.00 H new ATOM 0 HB3 HIS A 48 8.892 14.004 -4.314 1.00 0.00 H new ATOM 0 HD1 HIS A 48 8.867 12.882 -1.754 1.00 0.00 H new ATOM 0 HD2 HIS A 48 9.441 10.346 -5.038 1.00 0.00 H new ATOM 0 HE1 HIS A 48 9.903 10.748 -0.841 1.00 0.00 H new ATOM 611 N PRO A 49 5.692 11.457 -5.458 1.00 0.00 N ATOM 612 CA PRO A 49 4.926 10.851 -6.551 1.00 0.00 C ATOM 613 C PRO A 49 3.490 11.358 -6.610 1.00 0.00 C ATOM 614 O PRO A 49 2.636 10.931 -5.835 1.00 0.00 O ATOM 615 CB PRO A 49 4.948 9.345 -6.240 1.00 0.00 C ATOM 616 CG PRO A 49 5.958 9.171 -5.156 1.00 0.00 C ATOM 617 CD PRO A 49 6.011 10.474 -4.415 1.00 0.00 C ATOM 0 HA PRO A 49 5.358 11.100 -7.520 1.00 0.00 H new ATOM 0 HB2 PRO A 49 3.966 8.997 -5.920 1.00 0.00 H new ATOM 0 HB3 PRO A 49 5.218 8.767 -7.124 1.00 0.00 H new ATOM 0 HG2 PRO A 49 5.676 8.356 -4.489 1.00 0.00 H new ATOM 0 HG3 PRO A 49 6.934 8.920 -5.571 1.00 0.00 H new ATOM 0 HD2 PRO A 49 5.290 10.504 -3.598 1.00 0.00 H new ATOM 0 HD3 PRO A 49 6.994 10.652 -3.980 1.00 0.00 H new ATOM 625 N ARG A 50 3.225 12.261 -7.545 1.00 0.00 N ATOM 626 CA ARG A 50 1.886 12.812 -7.713 1.00 0.00 C ATOM 627 C ARG A 50 1.138 12.056 -8.806 1.00 0.00 C ATOM 628 O ARG A 50 -0.002 11.635 -8.616 1.00 0.00 O ATOM 629 CB ARG A 50 1.962 14.300 -8.061 1.00 0.00 C ATOM 630 CG ARG A 50 2.254 15.192 -6.865 1.00 0.00 C ATOM 631 CD ARG A 50 1.001 15.899 -6.375 1.00 0.00 C ATOM 632 NE ARG A 50 1.014 16.097 -4.928 1.00 0.00 N ATOM 633 CZ ARG A 50 0.037 16.699 -4.252 1.00 0.00 C ATOM 634 NH1 ARG A 50 -1.031 17.162 -4.889 1.00 0.00 N ATOM 635 NH2 ARG A 50 0.129 16.837 -2.936 1.00 0.00 N ATOM 0 H ARG A 50 3.918 12.627 -8.198 1.00 0.00 H new ATOM 0 HA ARG A 50 1.345 12.700 -6.774 1.00 0.00 H new ATOM 0 HB2 ARG A 50 2.737 14.449 -8.813 1.00 0.00 H new ATOM 0 HB3 ARG A 50 1.018 14.608 -8.511 1.00 0.00 H new ATOM 0 HG2 ARG A 50 2.674 14.593 -6.057 1.00 0.00 H new ATOM 0 HG3 ARG A 50 3.007 15.932 -7.137 1.00 0.00 H new ATOM 0 HD2 ARG A 50 0.912 16.865 -6.872 1.00 0.00 H new ATOM 0 HD3 ARG A 50 0.123 15.315 -6.653 1.00 0.00 H new ATOM 0 HE ARG A 50 1.819 15.754 -4.404 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -1.106 17.058 -5.901 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -1.777 17.622 -4.367 1.00 0.00 H new ATOM 0 HH21 ARG A 50 0.948 16.482 -2.442 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -0.619 17.298 -2.418 1.00 0.00 H new ATOM 649 N ARG A 51 1.802 11.887 -9.945 1.00 0.00 N ATOM 650 CA ARG A 51 1.228 11.179 -11.088 1.00 0.00 C ATOM 651 C ARG A 51 2.163 11.284 -12.290 1.00 0.00 C ATOM 652 O ARG A 51 2.163 12.292 -12.997 1.00 0.00 O ATOM 653 CB ARG A 51 -0.148 11.752 -11.446 1.00 0.00 C ATOM 654 CG ARG A 51 -0.788 11.090 -12.657 1.00 0.00 C ATOM 655 CD ARG A 51 -0.828 12.028 -13.853 1.00 0.00 C ATOM 656 NE ARG A 51 -1.987 12.916 -13.816 1.00 0.00 N ATOM 657 CZ ARG A 51 -2.483 13.534 -14.884 1.00 0.00 C ATOM 658 NH1 ARG A 51 -1.924 13.368 -16.077 1.00 0.00 N ATOM 659 NH2 ARG A 51 -3.542 14.322 -14.762 1.00 0.00 N ATOM 0 H ARG A 51 2.748 12.234 -10.103 1.00 0.00 H new ATOM 0 HA ARG A 51 1.106 10.130 -10.817 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -0.812 11.642 -10.589 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -0.049 12.821 -11.637 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -0.230 10.191 -12.918 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -1.801 10.775 -12.407 1.00 0.00 H new ATOM 0 HD2 ARG A 51 0.084 12.624 -13.876 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -0.850 11.442 -14.772 1.00 0.00 H new ATOM 0 HE ARG A 51 -2.443 13.071 -12.917 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -1.109 12.763 -16.179 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -2.310 13.845 -16.892 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -3.977 14.454 -13.849 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -3.922 14.796 -15.581 1.00 0.00 H new ATOM 673 N SER A 52 2.967 10.246 -12.508 1.00 0.00 N ATOM 674 CA SER A 52 3.920 10.228 -13.618 1.00 0.00 C ATOM 675 C SER A 52 5.135 11.093 -13.300 1.00 0.00 C ATOM 676 O SER A 52 5.610 11.852 -14.144 1.00 0.00 O ATOM 677 CB SER A 52 3.259 10.710 -14.912 1.00 0.00 C ATOM 678 OG SER A 52 1.939 10.208 -15.029 1.00 0.00 O ATOM 0 H SER A 52 2.978 9.405 -11.931 1.00 0.00 H new ATOM 0 HA SER A 52 4.250 9.199 -13.758 1.00 0.00 H new ATOM 0 HB2 SER A 52 3.240 11.800 -14.930 1.00 0.00 H new ATOM 0 HB3 SER A 52 3.851 10.387 -15.768 1.00 0.00 H new ATOM 0 HG SER A 52 1.539 10.532 -15.863 1.00 0.00 H new ATOM 684 N ARG A 53 5.632 10.970 -12.074 1.00 0.00 N ATOM 685 CA ARG A 53 6.792 11.737 -11.637 1.00 0.00 C ATOM 686 C ARG A 53 7.806 10.841 -10.933 1.00 0.00 C ATOM 687 O ARG A 53 9.013 10.974 -11.137 1.00 0.00 O ATOM 688 CB ARG A 53 6.358 12.870 -10.705 1.00 0.00 C ATOM 689 CG ARG A 53 7.098 14.175 -10.949 1.00 0.00 C ATOM 690 CD ARG A 53 7.499 14.844 -9.644 1.00 0.00 C ATOM 691 NE ARG A 53 7.807 16.260 -9.826 1.00 0.00 N ATOM 692 CZ ARG A 53 8.232 17.058 -8.850 1.00 0.00 C ATOM 693 NH1 ARG A 53 8.400 16.584 -7.621 1.00 0.00 N ATOM 694 NH2 ARG A 53 8.491 18.334 -9.102 1.00 0.00 N ATOM 0 H ARG A 53 5.249 10.345 -11.365 1.00 0.00 H new ATOM 0 HA ARG A 53 7.267 12.164 -12.520 1.00 0.00 H new ATOM 0 HB2 ARG A 53 5.288 13.040 -10.827 1.00 0.00 H new ATOM 0 HB3 ARG A 53 6.516 12.560 -9.672 1.00 0.00 H new ATOM 0 HG2 ARG A 53 7.988 13.983 -11.548 1.00 0.00 H new ATOM 0 HG3 ARG A 53 6.465 14.850 -11.525 1.00 0.00 H new ATOM 0 HD2 ARG A 53 6.691 14.739 -8.920 1.00 0.00 H new ATOM 0 HD3 ARG A 53 8.368 14.335 -9.228 1.00 0.00 H new ATOM 0 HE ARG A 53 7.689 16.661 -10.757 1.00 0.00 H new ATOM 0 HH11 ARG A 53 8.203 15.603 -7.421 1.00 0.00 H new ATOM 0 HH12 ARG A 53 8.726 17.201 -6.877 1.00 0.00 H new ATOM 0 HH21 ARG A 53 8.364 18.704 -10.044 1.00 0.00 H new ATOM 0 HH22 ARG A 53 8.817 18.946 -8.354 1.00 0.00 H new ATOM 708 N ARG A 54 7.310 9.930 -10.100 1.00 0.00 N ATOM 709 CA ARG A 54 8.177 9.016 -9.365 1.00 0.00 C ATOM 710 C ARG A 54 7.578 7.613 -9.315 1.00 0.00 C ATOM 711 O ARG A 54 6.584 7.327 -9.984 1.00 0.00 O ATOM 712 CB ARG A 54 8.410 9.534 -7.944 1.00 0.00 C ATOM 713 CG ARG A 54 8.889 10.975 -7.889 1.00 0.00 C ATOM 714 CD ARG A 54 10.378 11.084 -8.179 1.00 0.00 C ATOM 715 NE ARG A 54 11.159 10.107 -7.421 1.00 0.00 N ATOM 716 CZ ARG A 54 11.703 9.010 -7.949 1.00 0.00 C ATOM 717 NH1 ARG A 54 11.565 8.740 -9.242 1.00 0.00 N ATOM 718 NH2 ARG A 54 12.393 8.181 -7.178 1.00 0.00 N ATOM 0 H ARG A 54 6.314 9.806 -9.918 1.00 0.00 H new ATOM 0 HA ARG A 54 9.132 8.963 -9.888 1.00 0.00 H new ATOM 0 HB2 ARG A 54 7.482 9.447 -7.379 1.00 0.00 H new ATOM 0 HB3 ARG A 54 9.145 8.897 -7.451 1.00 0.00 H new ATOM 0 HG2 ARG A 54 8.333 11.571 -8.612 1.00 0.00 H new ATOM 0 HG3 ARG A 54 8.679 11.391 -6.904 1.00 0.00 H new ATOM 0 HD2 ARG A 54 10.551 10.937 -9.245 1.00 0.00 H new ATOM 0 HD3 ARG A 54 10.722 12.089 -7.936 1.00 0.00 H new ATOM 0 HE ARG A 54 11.296 10.276 -6.424 1.00 0.00 H new ATOM 0 HH11 ARG A 54 11.038 9.375 -9.842 1.00 0.00 H new ATOM 0 HH12 ARG A 54 11.986 7.898 -9.635 1.00 0.00 H new ATOM 0 HH21 ARG A 54 12.506 8.383 -6.185 1.00 0.00 H new ATOM 0 HH22 ARG A 54 12.811 7.341 -7.578 1.00 0.00 H new ATOM 732 N SER A 55 8.192 6.741 -8.521 1.00 0.00 N ATOM 733 CA SER A 55 7.725 5.365 -8.384 1.00 0.00 C ATOM 734 C SER A 55 7.815 4.896 -6.936 1.00 0.00 C ATOM 735 O SER A 55 8.082 3.723 -6.670 1.00 0.00 O ATOM 736 CB SER A 55 8.555 4.438 -9.274 1.00 0.00 C ATOM 737 OG SER A 55 7.745 3.433 -9.859 1.00 0.00 O ATOM 0 H SER A 55 9.016 6.963 -7.962 1.00 0.00 H new ATOM 0 HA SER A 55 6.681 5.332 -8.695 1.00 0.00 H new ATOM 0 HB2 SER A 55 9.041 5.020 -10.057 1.00 0.00 H new ATOM 0 HB3 SER A 55 9.346 3.975 -8.684 1.00 0.00 H new ATOM 0 HG SER A 55 8.299 2.855 -10.424 1.00 0.00 H new ATOM 743 N ALA A 56 7.598 5.813 -5.998 1.00 0.00 N ATOM 744 CA ALA A 56 7.665 5.481 -4.580 1.00 0.00 C ATOM 745 C ALA A 56 9.012 4.847 -4.239 1.00 0.00 C ATOM 746 O ALA A 56 9.982 5.011 -4.979 1.00 0.00 O ATOM 747 CB ALA A 56 6.521 4.553 -4.202 1.00 0.00 C ATOM 0 H ALA A 56 7.375 6.789 -6.194 1.00 0.00 H new ATOM 0 HA ALA A 56 7.568 6.400 -4.003 1.00 0.00 H new ATOM 0 HB1 ALA A 56 6.583 4.313 -3.141 1.00 0.00 H new ATOM 0 HB2 ALA A 56 5.570 5.045 -4.408 1.00 0.00 H new ATOM 0 HB3 ALA A 56 6.589 3.635 -4.786 1.00 0.00 H new ATOM 753 N LEU A 57 9.078 4.127 -3.119 1.00 0.00 N ATOM 754 CA LEU A 57 10.324 3.487 -2.709 1.00 0.00 C ATOM 755 C LEU A 57 10.182 2.780 -1.362 1.00 0.00 C ATOM 756 O LEU A 57 10.198 1.551 -1.294 1.00 0.00 O ATOM 757 CB LEU A 57 11.437 4.524 -2.631 1.00 0.00 C ATOM 758 CG LEU A 57 11.010 5.854 -2.017 1.00 0.00 C ATOM 759 CD1 LEU A 57 11.833 6.153 -0.777 1.00 0.00 C ATOM 760 CD2 LEU A 57 11.114 6.973 -3.038 1.00 0.00 C ATOM 0 H LEU A 57 8.292 3.974 -2.487 1.00 0.00 H new ATOM 0 HA LEU A 57 10.572 2.734 -3.457 1.00 0.00 H new ATOM 0 HB2 LEU A 57 12.260 4.114 -2.046 1.00 0.00 H new ATOM 0 HB3 LEU A 57 11.820 4.706 -3.635 1.00 0.00 H new ATOM 0 HG LEU A 57 9.965 5.781 -1.714 1.00 0.00 H new ATOM 0 HD11 LEU A 57 11.516 7.105 -0.351 1.00 0.00 H new ATOM 0 HD12 LEU A 57 11.687 5.360 -0.043 1.00 0.00 H new ATOM 0 HD13 LEU A 57 12.888 6.209 -1.045 1.00 0.00 H new ATOM 0 HD21 LEU A 57 10.805 7.913 -2.580 1.00 0.00 H new ATOM 0 HD22 LEU A 57 12.145 7.058 -3.381 1.00 0.00 H new ATOM 0 HD23 LEU A 57 10.466 6.753 -3.887 1.00 0.00 H new ATOM 766 N HIS A 58 10.040 3.562 -0.289 1.00 0.00 N ATOM 767 CA HIS A 58 9.894 2.999 1.050 1.00 0.00 C ATOM 768 C HIS A 58 8.679 2.082 1.116 1.00 0.00 C ATOM 769 O HIS A 58 8.563 1.256 2.020 1.00 0.00 O ATOM 770 CB HIS A 58 9.790 4.102 2.114 1.00 0.00 C ATOM 771 CG HIS A 58 9.100 5.347 1.649 1.00 0.00 C ATOM 772 ND1 HIS A 58 8.087 5.340 0.717 1.00 0.00 N ATOM 773 CD2 HIS A 58 9.283 6.644 1.993 1.00 0.00 C ATOM 774 CE1 HIS A 58 7.675 6.577 0.505 1.00 0.00 C ATOM 775 NE2 HIS A 58 8.385 7.387 1.269 1.00 0.00 N ATOM 0 H HIS A 58 10.023 4.581 -0.323 1.00 0.00 H new ATOM 0 HA HIS A 58 10.788 2.413 1.262 1.00 0.00 H new ATOM 0 HB2 HIS A 58 9.257 3.707 2.979 1.00 0.00 H new ATOM 0 HB3 HIS A 58 10.794 4.361 2.450 1.00 0.00 H new ATOM 0 HD2 HIS A 58 10.002 7.023 2.705 1.00 0.00 H new ATOM 0 HE1 HIS A 58 6.892 6.875 -0.176 1.00 0.00 H new ATOM 0 HE2 HIS A 58 8.282 8.401 1.314 1.00 0.00 H new ATOM 784 N ILE A 59 7.785 2.210 0.139 1.00 0.00 N ATOM 785 CA ILE A 59 6.605 1.368 0.088 1.00 0.00 C ATOM 786 C ILE A 59 6.935 0.039 -0.594 1.00 0.00 C ATOM 787 O ILE A 59 6.055 -0.779 -0.849 1.00 0.00 O ATOM 788 CB ILE A 59 5.425 2.092 -0.615 1.00 0.00 C ATOM 789 CG1 ILE A 59 4.158 1.997 0.239 1.00 0.00 C ATOM 790 CG2 ILE A 59 5.165 1.559 -2.017 1.00 0.00 C ATOM 791 CD1 ILE A 59 3.489 0.637 0.199 1.00 0.00 C ATOM 0 H ILE A 59 7.859 2.886 -0.621 1.00 0.00 H new ATOM 0 HA ILE A 59 6.287 1.157 1.109 1.00 0.00 H new ATOM 0 HB ILE A 59 5.709 3.139 -0.722 1.00 0.00 H new ATOM 0 HG12 ILE A 59 4.410 2.237 1.272 1.00 0.00 H new ATOM 0 HG13 ILE A 59 3.447 2.751 -0.099 1.00 0.00 H new ATOM 0 HG21 ILE A 59 4.330 2.100 -2.463 1.00 0.00 H new ATOM 0 HG22 ILE A 59 6.056 1.697 -2.630 1.00 0.00 H new ATOM 0 HG23 ILE A 59 4.923 0.498 -1.964 1.00 0.00 H new ATOM 0 HD11 ILE A 59 2.599 0.650 0.829 1.00 0.00 H new ATOM 0 HD12 ILE A 59 3.204 0.402 -0.826 1.00 0.00 H new ATOM 0 HD13 ILE A 59 4.182 -0.120 0.566 1.00 0.00 H new ATOM 795 N THR A 60 8.222 -0.175 -0.872 1.00 0.00 N ATOM 796 CA THR A 60 8.669 -1.410 -1.503 1.00 0.00 C ATOM 797 C THR A 60 9.488 -2.253 -0.525 1.00 0.00 C ATOM 798 O THR A 60 10.237 -3.140 -0.935 1.00 0.00 O ATOM 799 CB THR A 60 9.503 -1.099 -2.748 1.00 0.00 C ATOM 800 OG1 THR A 60 10.782 -0.611 -2.386 1.00 0.00 O ATOM 801 CG2 THR A 60 8.861 -0.073 -3.658 1.00 0.00 C ATOM 0 H THR A 60 8.968 0.490 -0.670 1.00 0.00 H new ATOM 0 HA THR A 60 7.787 -1.979 -1.798 1.00 0.00 H new ATOM 0 HB THR A 60 9.579 -2.043 -3.288 1.00 0.00 H new ATOM 0 HG1 THR A 60 10.683 0.119 -1.739 1.00 0.00 H new ATOM 0 HG21 THR A 60 9.504 0.101 -4.521 1.00 0.00 H new ATOM 0 HG22 THR A 60 7.892 -0.442 -3.996 1.00 0.00 H new ATOM 0 HG23 THR A 60 8.724 0.861 -3.113 1.00 0.00 H new ATOM 806 N LYS A 61 9.340 -1.974 0.772 1.00 0.00 N ATOM 807 CA LYS A 61 10.068 -2.713 1.800 1.00 0.00 C ATOM 808 C LYS A 61 9.101 -3.313 2.823 1.00 0.00 C ATOM 809 O LYS A 61 9.085 -4.525 3.036 1.00 0.00 O ATOM 810 CB LYS A 61 11.127 -1.797 2.463 1.00 0.00 C ATOM 811 CG LYS A 61 10.868 -1.404 3.921 1.00 0.00 C ATOM 812 CD LYS A 61 10.116 -0.083 4.023 1.00 0.00 C ATOM 813 CE LYS A 61 10.659 0.806 5.135 1.00 0.00 C ATOM 814 NZ LYS A 61 10.781 0.080 6.432 1.00 0.00 N ATOM 0 H LYS A 61 8.725 -1.244 1.132 1.00 0.00 H new ATOM 0 HA LYS A 61 10.596 -3.546 1.336 1.00 0.00 H new ATOM 0 HB2 LYS A 61 12.094 -2.298 2.410 1.00 0.00 H new ATOM 0 HB3 LYS A 61 11.208 -0.885 1.872 1.00 0.00 H new ATOM 0 HG2 LYS A 61 10.293 -2.189 4.413 1.00 0.00 H new ATOM 0 HG3 LYS A 61 11.817 -1.324 4.451 1.00 0.00 H new ATOM 0 HD2 LYS A 61 10.184 0.446 3.072 1.00 0.00 H new ATOM 0 HD3 LYS A 61 9.059 -0.282 4.203 1.00 0.00 H new ATOM 0 HE2 LYS A 61 11.636 1.192 4.844 1.00 0.00 H new ATOM 0 HE3 LYS A 61 10.002 1.666 5.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 11.677 0.339 6.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 9.987 0.340 7.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 10.764 -0.945 6.259 1.00 0.00 H new ATOM 828 N ARG A 62 8.293 -2.463 3.444 1.00 0.00 N ATOM 829 CA ARG A 62 7.318 -2.912 4.432 1.00 0.00 C ATOM 830 C ARG A 62 6.049 -3.423 3.755 1.00 0.00 C ATOM 831 O ARG A 62 5.247 -4.128 4.368 1.00 0.00 O ATOM 832 CB ARG A 62 6.979 -1.778 5.399 1.00 0.00 C ATOM 833 CG ARG A 62 8.113 -1.434 6.351 1.00 0.00 C ATOM 834 CD ARG A 62 8.171 -2.403 7.521 1.00 0.00 C ATOM 835 NE ARG A 62 9.163 -3.455 7.311 1.00 0.00 N ATOM 836 CZ ARG A 62 9.668 -4.204 8.289 1.00 0.00 C ATOM 837 NH1 ARG A 62 9.279 -4.021 9.544 1.00 0.00 N ATOM 838 NH2 ARG A 62 10.565 -5.140 8.010 1.00 0.00 N ATOM 0 H ARG A 62 8.293 -1.456 3.281 1.00 0.00 H new ATOM 0 HA ARG A 62 7.761 -3.735 4.994 1.00 0.00 H new ATOM 0 HB2 ARG A 62 6.714 -0.889 4.826 1.00 0.00 H new ATOM 0 HB3 ARG A 62 6.100 -2.057 5.980 1.00 0.00 H new ATOM 0 HG2 ARG A 62 9.061 -1.455 5.813 1.00 0.00 H new ATOM 0 HG3 ARG A 62 7.981 -0.419 6.724 1.00 0.00 H new ATOM 0 HD2 ARG A 62 8.410 -1.856 8.433 1.00 0.00 H new ATOM 0 HD3 ARG A 62 7.190 -2.854 7.667 1.00 0.00 H new ATOM 0 HE ARG A 62 9.488 -3.626 6.359 1.00 0.00 H new ATOM 0 HH11 ARG A 62 8.589 -3.303 9.764 1.00 0.00 H new ATOM 0 HH12 ARG A 62 9.670 -4.598 10.288 1.00 0.00 H new ATOM 0 HH21 ARG A 62 10.867 -5.286 7.047 1.00 0.00 H new ATOM 0 HH22 ARG A 62 10.952 -5.714 8.759 1.00 0.00 H new ATOM 852 N LEU A 63 5.874 -3.059 2.488 1.00 0.00 N ATOM 853 CA LEU A 63 4.708 -3.469 1.722 1.00 0.00 C ATOM 854 C LEU A 63 4.811 -4.939 1.345 1.00 0.00 C ATOM 855 O LEU A 63 3.986 -5.754 1.757 1.00 0.00 O ATOM 856 CB LEU A 63 4.590 -2.593 0.466 1.00 0.00 C ATOM 857 CG LEU A 63 3.263 -2.660 -0.296 1.00 0.00 C ATOM 858 CD1 LEU A 63 2.929 -4.089 -0.690 1.00 0.00 C ATOM 859 CD2 LEU A 63 2.139 -2.043 0.523 1.00 0.00 C ATOM 0 H LEU A 63 6.532 -2.477 1.970 1.00 0.00 H new ATOM 0 HA LEU A 63 3.813 -3.340 2.330 1.00 0.00 H new ATOM 0 HB2 LEU A 63 4.764 -1.557 0.756 1.00 0.00 H new ATOM 0 HB3 LEU A 63 5.391 -2.871 -0.219 1.00 0.00 H new ATOM 0 HG LEU A 63 3.372 -2.080 -1.213 1.00 0.00 H new ATOM 0 HD11 LEU A 63 1.982 -4.106 -1.229 1.00 0.00 H new ATOM 0 HD12 LEU A 63 3.718 -4.484 -1.330 1.00 0.00 H new ATOM 0 HD13 LEU A 63 2.847 -4.704 0.206 1.00 0.00 H new ATOM 0 HD21 LEU A 63 1.206 -2.101 -0.038 1.00 0.00 H new ATOM 0 HD22 LEU A 63 2.033 -2.586 1.462 1.00 0.00 H new ATOM 0 HD23 LEU A 63 2.372 -0.999 0.732 1.00 0.00 H new ATOM 865 N SER A 64 5.830 -5.277 0.564 1.00 0.00 N ATOM 866 CA SER A 64 6.027 -6.658 0.150 1.00 0.00 C ATOM 867 C SER A 64 6.307 -7.531 1.370 1.00 0.00 C ATOM 868 O SER A 64 5.878 -8.685 1.439 1.00 0.00 O ATOM 869 CB SER A 64 7.165 -6.766 -0.866 1.00 0.00 C ATOM 870 OG SER A 64 8.418 -6.930 -0.222 1.00 0.00 O ATOM 0 H SER A 64 6.525 -4.621 0.208 1.00 0.00 H new ATOM 0 HA SER A 64 5.116 -7.011 -0.333 1.00 0.00 H new ATOM 0 HB2 SER A 64 6.982 -7.610 -1.531 1.00 0.00 H new ATOM 0 HB3 SER A 64 7.187 -5.870 -1.487 1.00 0.00 H new ATOM 0 HG SER A 64 9.126 -6.998 -0.896 1.00 0.00 H new ATOM 876 N ASP A 65 7.008 -6.962 2.347 1.00 0.00 N ATOM 877 CA ASP A 65 7.316 -7.682 3.574 1.00 0.00 C ATOM 878 C ASP A 65 6.022 -8.132 4.240 1.00 0.00 C ATOM 879 O ASP A 65 5.890 -9.283 4.655 1.00 0.00 O ATOM 880 CB ASP A 65 8.124 -6.801 4.528 1.00 0.00 C ATOM 881 CG ASP A 65 8.469 -7.512 5.823 1.00 0.00 C ATOM 882 OD1 ASP A 65 7.541 -7.805 6.604 1.00 0.00 O ATOM 883 OD2 ASP A 65 9.668 -7.773 6.055 1.00 0.00 O ATOM 0 H ASP A 65 7.371 -6.009 2.311 1.00 0.00 H new ATOM 0 HA ASP A 65 7.917 -8.557 3.328 1.00 0.00 H new ATOM 0 HB2 ASP A 65 9.043 -6.485 4.035 1.00 0.00 H new ATOM 0 HB3 ASP A 65 7.556 -5.898 4.753 1.00 0.00 H new ATOM 888 N ASP A 66 5.059 -7.217 4.315 1.00 0.00 N ATOM 889 CA ASP A 66 3.762 -7.523 4.902 1.00 0.00 C ATOM 890 C ASP A 66 2.875 -8.243 3.887 1.00 0.00 C ATOM 891 O ASP A 66 1.906 -8.907 4.252 1.00 0.00 O ATOM 892 CB ASP A 66 3.081 -6.242 5.381 1.00 0.00 C ATOM 893 CG ASP A 66 3.365 -5.950 6.842 1.00 0.00 C ATOM 894 OD1 ASP A 66 4.548 -5.746 7.187 1.00 0.00 O ATOM 895 OD2 ASP A 66 2.404 -5.924 7.640 1.00 0.00 O ATOM 0 H ASP A 66 5.154 -6.260 3.977 1.00 0.00 H new ATOM 0 HA ASP A 66 3.916 -8.179 5.759 1.00 0.00 H new ATOM 0 HB2 ASP A 66 3.420 -5.404 4.773 1.00 0.00 H new ATOM 0 HB3 ASP A 66 2.005 -6.328 5.233 1.00 0.00 H new ATOM 900 N ASP A 67 3.223 -8.102 2.608 1.00 0.00 N ATOM 901 CA ASP A 67 2.476 -8.728 1.525 1.00 0.00 C ATOM 902 C ASP A 67 2.441 -10.249 1.677 1.00 0.00 C ATOM 903 O ASP A 67 1.628 -10.922 1.045 1.00 0.00 O ATOM 904 CB ASP A 67 3.098 -8.343 0.179 1.00 0.00 C ATOM 905 CG ASP A 67 2.606 -9.200 -0.973 1.00 0.00 C ATOM 906 OD1 ASP A 67 1.441 -9.640 -0.931 1.00 0.00 O ATOM 907 OD2 ASP A 67 3.389 -9.430 -1.918 1.00 0.00 O ATOM 0 H ASP A 67 4.026 -7.554 2.298 1.00 0.00 H new ATOM 0 HA ASP A 67 1.448 -8.368 1.566 1.00 0.00 H new ATOM 0 HB2 ASP A 67 2.873 -7.298 -0.032 1.00 0.00 H new ATOM 0 HB3 ASP A 67 4.182 -8.428 0.249 1.00 0.00 H new ATOM 912 N ARG A 68 3.319 -10.790 2.519 1.00 0.00 N ATOM 913 CA ARG A 68 3.370 -12.234 2.743 1.00 0.00 C ATOM 914 C ARG A 68 1.971 -12.795 2.949 1.00 0.00 C ATOM 915 O ARG A 68 1.702 -13.954 2.630 1.00 0.00 O ATOM 916 CB ARG A 68 4.257 -12.559 3.947 1.00 0.00 C ATOM 917 CG ARG A 68 5.577 -13.214 3.570 1.00 0.00 C ATOM 918 CD ARG A 68 6.759 -12.308 3.876 1.00 0.00 C ATOM 919 NE ARG A 68 7.327 -12.576 5.195 1.00 0.00 N ATOM 920 CZ ARG A 68 8.145 -13.594 5.457 1.00 0.00 C ATOM 921 NH1 ARG A 68 8.491 -14.441 4.495 1.00 0.00 N ATOM 922 NH2 ARG A 68 8.617 -13.767 6.684 1.00 0.00 N ATOM 0 H ARG A 68 4.002 -10.254 3.055 1.00 0.00 H new ATOM 0 HA ARG A 68 3.801 -12.702 1.858 1.00 0.00 H new ATOM 0 HB2 ARG A 68 4.461 -11.640 4.497 1.00 0.00 H new ATOM 0 HB3 ARG A 68 3.712 -13.220 4.621 1.00 0.00 H new ATOM 0 HG2 ARG A 68 5.687 -14.152 4.114 1.00 0.00 H new ATOM 0 HG3 ARG A 68 5.572 -13.460 2.508 1.00 0.00 H new ATOM 0 HD2 ARG A 68 7.528 -12.446 3.116 1.00 0.00 H new ATOM 0 HD3 ARG A 68 6.441 -11.267 3.823 1.00 0.00 H new ATOM 0 HE ARG A 68 7.083 -11.947 5.960 1.00 0.00 H new ATOM 0 HH11 ARG A 68 8.130 -14.314 3.549 1.00 0.00 H new ATOM 0 HH12 ARG A 68 9.118 -15.219 4.701 1.00 0.00 H new ATOM 0 HH21 ARG A 68 8.354 -13.120 7.428 1.00 0.00 H new ATOM 0 HH22 ARG A 68 9.243 -14.547 6.884 1.00 0.00 H new ATOM 936 N VAL A 69 1.079 -11.957 3.467 1.00 0.00 N ATOM 937 CA VAL A 69 -0.304 -12.346 3.699 1.00 0.00 C ATOM 938 C VAL A 69 -0.860 -13.149 2.537 1.00 0.00 C ATOM 939 O VAL A 69 -1.326 -14.277 2.704 1.00 0.00 O ATOM 940 CB VAL A 69 -1.216 -11.118 3.887 1.00 0.00 C ATOM 941 CG1 VAL A 69 -1.481 -10.878 5.364 1.00 0.00 C ATOM 942 CG2 VAL A 69 -0.629 -9.873 3.225 1.00 0.00 C ATOM 0 H VAL A 69 1.294 -10.997 3.735 1.00 0.00 H new ATOM 0 HA VAL A 69 -0.295 -12.950 4.606 1.00 0.00 H new ATOM 0 HB VAL A 69 -2.165 -11.327 3.394 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -2.126 -10.008 5.481 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -1.970 -11.753 5.793 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -0.537 -10.701 5.879 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -1.300 -9.028 3.379 1.00 0.00 H new ATOM 0 HG22 VAL A 69 0.342 -9.650 3.666 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -0.509 -10.051 2.156 1.00 0.00 H new ATOM 946 N THR A 70 -0.818 -12.546 1.359 1.00 0.00 N ATOM 947 CA THR A 70 -1.327 -13.180 0.159 1.00 0.00 C ATOM 948 C THR A 70 -0.693 -12.560 -1.080 1.00 0.00 C ATOM 949 O THR A 70 0.215 -13.137 -1.680 1.00 0.00 O ATOM 950 CB THR A 70 -2.846 -13.059 0.100 1.00 0.00 C ATOM 951 OG1 THR A 70 -3.449 -13.785 1.156 1.00 0.00 O ATOM 952 CG2 THR A 70 -3.445 -13.558 -1.197 1.00 0.00 C ATOM 0 H THR A 70 -0.434 -11.613 1.211 1.00 0.00 H new ATOM 0 HA THR A 70 -1.065 -14.238 0.186 1.00 0.00 H new ATOM 0 HB THR A 70 -3.048 -11.991 0.184 1.00 0.00 H new ATOM 0 HG1 THR A 70 -2.776 -14.350 1.590 1.00 0.00 H new ATOM 0 HG21 THR A 70 -4.528 -13.441 -1.166 1.00 0.00 H new ATOM 0 HG22 THR A 70 -3.041 -12.982 -2.030 1.00 0.00 H new ATOM 0 HG23 THR A 70 -3.198 -14.611 -1.330 1.00 0.00 H new ATOM 957 N TRP A 71 -1.166 -11.374 -1.448 1.00 0.00 N ATOM 958 CA TRP A 71 -0.628 -10.670 -2.606 1.00 0.00 C ATOM 959 C TRP A 71 -0.670 -9.171 -2.393 1.00 0.00 C ATOM 960 O TRP A 71 -1.490 -8.661 -1.633 1.00 0.00 O ATOM 961 CB TRP A 71 -1.382 -11.039 -3.885 1.00 0.00 C ATOM 962 CG TRP A 71 -2.737 -10.409 -3.979 1.00 0.00 C ATOM 963 CD1 TRP A 71 -3.909 -10.959 -3.572 1.00 0.00 C ATOM 964 CD2 TRP A 71 -3.057 -9.114 -4.504 1.00 0.00 C ATOM 965 NE1 TRP A 71 -4.947 -10.093 -3.814 1.00 0.00 N ATOM 966 CE2 TRP A 71 -4.451 -8.953 -4.385 1.00 0.00 C ATOM 967 CE3 TRP A 71 -2.307 -8.077 -5.065 1.00 0.00 C ATOM 968 CZ2 TRP A 71 -5.108 -7.800 -4.802 1.00 0.00 C ATOM 969 CZ3 TRP A 71 -2.962 -6.930 -5.477 1.00 0.00 C ATOM 970 CH2 TRP A 71 -4.350 -6.800 -5.345 1.00 0.00 C ATOM 0 H TRP A 71 -1.917 -10.882 -0.964 1.00 0.00 H new ATOM 0 HA TRP A 71 0.411 -10.980 -2.721 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -0.788 -10.737 -4.748 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -1.489 -12.123 -3.935 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -4.011 -11.936 -3.123 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -5.929 -10.271 -3.602 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -1.237 -8.169 -5.175 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -6.178 -7.698 -4.700 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -2.392 -6.120 -5.908 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -4.831 -5.892 -5.679 1.00 0.00 H new ATOM 981 N ALA A 72 0.236 -8.479 -3.061 1.00 0.00 N ATOM 982 CA ALA A 72 0.331 -7.039 -2.942 1.00 0.00 C ATOM 983 C ALA A 72 0.852 -6.406 -4.228 1.00 0.00 C ATOM 984 O ALA A 72 1.976 -6.674 -4.652 1.00 0.00 O ATOM 985 CB ALA A 72 1.234 -6.691 -1.773 1.00 0.00 C ATOM 0 H ALA A 72 0.919 -8.896 -3.694 1.00 0.00 H new ATOM 0 HA ALA A 72 -0.667 -6.638 -2.764 1.00 0.00 H new ATOM 0 HB1 ALA A 72 1.308 -5.607 -1.680 1.00 0.00 H new ATOM 0 HB2 ALA A 72 0.817 -7.106 -0.855 1.00 0.00 H new ATOM 0 HB3 ALA A 72 2.226 -7.109 -1.943 1.00 0.00 H new ATOM 991 N GLU A 73 0.031 -5.558 -4.840 1.00 0.00 N ATOM 992 CA GLU A 73 0.420 -4.880 -6.072 1.00 0.00 C ATOM 993 C GLU A 73 0.122 -3.391 -5.982 1.00 0.00 C ATOM 994 O GLU A 73 -0.903 -2.984 -5.435 1.00 0.00 O ATOM 995 CB GLU A 73 -0.301 -5.479 -7.279 1.00 0.00 C ATOM 996 CG GLU A 73 0.229 -4.963 -8.608 1.00 0.00 C ATOM 997 CD GLU A 73 1.104 -5.975 -9.321 1.00 0.00 C ATOM 998 OE1 GLU A 73 0.560 -6.783 -10.104 1.00 0.00 O ATOM 999 OE2 GLU A 73 2.333 -5.959 -9.097 1.00 0.00 O ATOM 0 H GLU A 73 -0.904 -5.325 -4.505 1.00 0.00 H new ATOM 0 HA GLU A 73 1.493 -5.020 -6.203 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -0.202 -6.564 -7.252 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -1.365 -5.254 -7.207 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -0.610 -4.697 -9.251 1.00 0.00 H new ATOM 0 HG3 GLU A 73 0.801 -4.051 -8.437 1.00 0.00 H new ATOM 1006 N GLN A 74 1.029 -2.582 -6.512 1.00 0.00 N ATOM 1007 CA GLN A 74 0.869 -1.135 -6.483 1.00 0.00 C ATOM 1008 C GLN A 74 0.120 -0.640 -7.714 1.00 0.00 C ATOM 1009 O GLN A 74 0.557 -0.852 -8.846 1.00 0.00 O ATOM 1010 CB GLN A 74 2.237 -0.458 -6.393 1.00 0.00 C ATOM 1011 CG GLN A 74 3.089 -0.631 -7.641 1.00 0.00 C ATOM 1012 CD GLN A 74 4.525 -0.997 -7.321 1.00 0.00 C ATOM 1013 OE1 GLN A 74 5.000 -2.073 -7.686 1.00 0.00 O ATOM 1014 NE2 GLN A 74 5.225 -0.101 -6.635 1.00 0.00 N ATOM 0 H GLN A 74 1.883 -2.903 -6.967 1.00 0.00 H new ATOM 0 HA GLN A 74 0.281 -0.876 -5.602 1.00 0.00 H new ATOM 0 HB2 GLN A 74 2.094 0.606 -6.206 1.00 0.00 H new ATOM 0 HB3 GLN A 74 2.777 -0.862 -5.537 1.00 0.00 H new ATOM 0 HG2 GLN A 74 2.652 -1.406 -8.270 1.00 0.00 H new ATOM 0 HG3 GLN A 74 3.074 0.294 -8.218 1.00 0.00 H new ATOM 0 HE21 GLN A 74 4.791 0.778 -6.353 1.00 0.00 H new ATOM 0 HE22 GLN A 74 6.197 -0.292 -6.390 1.00 0.00 H new ATOM 1021 N GLN A 75 -1.004 0.029 -7.486 1.00 0.00 N ATOM 1022 CA GLN A 75 -1.806 0.562 -8.577 1.00 0.00 C ATOM 1023 C GLN A 75 -1.395 1.996 -8.879 1.00 0.00 C ATOM 1024 O GLN A 75 -1.381 2.847 -7.989 1.00 0.00 O ATOM 1025 CB GLN A 75 -3.294 0.503 -8.229 1.00 0.00 C ATOM 1026 CG GLN A 75 -4.177 0.115 -9.404 1.00 0.00 C ATOM 1027 CD GLN A 75 -5.649 0.354 -9.132 1.00 0.00 C ATOM 1028 OE1 GLN A 75 -6.059 1.471 -8.814 1.00 0.00 O ATOM 1029 NE2 GLN A 75 -6.452 -0.696 -9.256 1.00 0.00 N ATOM 0 H GLN A 75 -1.379 0.214 -6.556 1.00 0.00 H new ATOM 0 HA GLN A 75 -1.633 -0.049 -9.463 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -3.442 -0.214 -7.421 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -3.610 1.476 -7.853 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -3.877 0.685 -10.283 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -4.021 -0.938 -9.639 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -6.068 -1.603 -9.522 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -7.453 -0.596 -9.086 1.00 0.00 H new ATOM 1036 N TYR A 76 -1.051 2.253 -10.136 1.00 0.00 N ATOM 1037 CA TYR A 76 -0.630 3.583 -10.559 1.00 0.00 C ATOM 1038 C TYR A 76 -1.557 4.128 -11.641 1.00 0.00 C ATOM 1039 O TYR A 76 -2.039 5.254 -11.538 1.00 99.99 O ATOM 1040 CB TYR A 76 0.805 3.545 -11.082 1.00 0.00 C ATOM 1041 CG TYR A 76 1.859 3.690 -10.008 1.00 0.00 C ATOM 1042 CD1 TYR A 76 1.775 2.983 -8.815 1.00 0.00 C ATOM 1043 CD2 TYR A 76 2.936 4.541 -10.189 1.00 0.00 C ATOM 1044 CE1 TYR A 76 2.740 3.124 -7.836 1.00 0.00 C ATOM 1045 CE2 TYR A 76 3.901 4.689 -9.220 1.00 0.00 C ATOM 1046 CZ TYR A 76 3.802 3.980 -8.043 1.00 0.00 C ATOM 1047 OH TYR A 76 4.764 4.125 -7.070 1.00 0.00 O ATOM 0 H TYR A 76 -1.056 1.556 -10.881 1.00 0.00 H new ATOM 0 HA TYR A 76 -0.679 4.243 -9.693 1.00 0.00 H new ATOM 0 HB2 TYR A 76 0.964 2.603 -11.607 1.00 0.00 H new ATOM 0 HB3 TYR A 76 0.935 4.343 -11.813 1.00 0.00 H new ATOM 0 HD1 TYR A 76 0.944 2.314 -8.650 1.00 0.00 H new ATOM 0 HD2 TYR A 76 3.020 5.100 -11.109 1.00 0.00 H new ATOM 0 HE1 TYR A 76 2.663 2.567 -6.914 1.00 0.00 H new ATOM 0 HE2 TYR A 76 4.733 5.358 -9.381 1.00 0.00 H new ATOM 0 HH TYR A 76 5.476 3.467 -7.214 1.00 0.00 H new