USER MOD reduce.3.24.130724 H: found=0, std=0, add=558, rem=0, adj=13 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 28 TYR OH : rot -130:sc= -2! USER MOD Set 1.2: A 46 LYS NZ :NH3+ -94:sc= -0.0196 (180deg=-0.597!) USER MOD Set 1.3: A 58 HIS : no HD1:sc= -2.06 K(o=-4.1,f=-6.3!) USER MOD Set 1.4: A 76 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 16 GLN : amide:sc= 0.248 K(o=-1.6,f=-4.9!) USER MOD Set 2.2: A 41 TYR OH : rot -56:sc= -1.85 USER MOD Single : A 6 ASN : amide:sc= -2.95 K(o=-3,f=-13!) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= -0.094 K(o=-0.094,f=-2!) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= -5.92! C(o=-5.9!,f=-8.6!) USER MOD Single : A 40 HIS : no HD1:sc= -9.92! C(o=-9.9!,f=-12!) USER MOD Single : A 44 LYS NZ :NH3+ -146:sc= -1.24 (180deg=-2.87!) USER MOD Single : A 45 HIS : no HD1:sc= -0.157 K(o=-0.16,f=-0.68) USER MOD Single : A 47 SER OG : rot -49:sc= 0.3 USER MOD Single : A 48 HIS : no HD1:sc= -6.33! C(o=-6.3!,f=-5.9!) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot -53:sc= 0.143 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot -140:sc= -0.689 USER MOD Single : A 74 GLN : amide:sc= -0.0732 X(o=-0.073,f=0) USER MOD Single : A 75 GLN : amide:sc= -0.032 K(o=-0.032,f=-0.54) USER MOD ----------------------------------------------------------------- ATOM 21 N VAL A 5 1.952 7.377 -8.023 1.00 0.00 N ATOM 22 CA VAL A 5 1.168 8.473 -7.462 1.00 0.00 C ATOM 23 C VAL A 5 -0.176 8.007 -6.916 1.00 0.00 C ATOM 24 O VAL A 5 -0.600 8.443 -5.847 1.00 0.00 O ATOM 25 CB VAL A 5 0.945 9.575 -8.502 1.00 0.00 C ATOM 26 CG1 VAL A 5 0.296 10.797 -7.869 1.00 0.00 C ATOM 27 CG2 VAL A 5 2.273 9.933 -9.137 1.00 0.00 C ATOM 0 HA VAL A 5 1.747 8.871 -6.629 1.00 0.00 H new ATOM 0 HB VAL A 5 0.266 9.210 -9.273 1.00 0.00 H new ATOM 0 HG11 VAL A 5 0.148 11.565 -8.628 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -0.668 10.518 -7.443 1.00 0.00 H new ATOM 0 HG13 VAL A 5 0.942 11.185 -7.081 1.00 0.00 H new ATOM 0 HG21 VAL A 5 2.122 10.717 -9.879 1.00 0.00 H new ATOM 0 HG22 VAL A 5 2.960 10.288 -8.369 1.00 0.00 H new ATOM 0 HG23 VAL A 5 2.694 9.052 -9.621 1.00 0.00 H new ATOM 31 N ASN A 6 -0.843 7.126 -7.652 1.00 0.00 N ATOM 32 CA ASN A 6 -2.141 6.606 -7.232 1.00 0.00 C ATOM 33 C ASN A 6 -2.028 5.913 -5.863 1.00 0.00 C ATOM 34 O ASN A 6 -1.628 6.542 -4.885 1.00 0.00 O ATOM 35 CB ASN A 6 -2.694 5.656 -8.298 1.00 0.00 C ATOM 36 CG ASN A 6 -4.180 5.400 -8.132 1.00 0.00 C ATOM 37 OD1 ASN A 6 -4.598 4.647 -7.253 1.00 0.00 O ATOM 38 ND2 ASN A 6 -4.987 6.027 -8.982 1.00 0.00 N ATOM 0 H ASN A 6 -0.508 6.756 -8.542 1.00 0.00 H new ATOM 0 HA ASN A 6 -2.839 7.436 -7.123 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -2.509 6.077 -9.286 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -2.157 4.708 -8.249 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -5.996 5.893 -8.921 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -4.597 6.643 -9.696 1.00 0.00 H new ATOM 43 N GLU A 7 -2.381 4.629 -5.780 1.00 0.00 N ATOM 44 CA GLU A 7 -2.301 3.913 -4.511 1.00 0.00 C ATOM 45 C GLU A 7 -2.040 2.425 -4.717 1.00 0.00 C ATOM 46 O GLU A 7 -2.105 1.916 -5.837 1.00 0.00 O ATOM 47 CB GLU A 7 -3.592 4.105 -3.714 1.00 0.00 C ATOM 48 CG GLU A 7 -4.850 3.769 -4.500 1.00 0.00 C ATOM 49 CD GLU A 7 -5.713 4.985 -4.772 1.00 0.00 C ATOM 50 OE1 GLU A 7 -5.149 6.056 -5.086 1.00 0.00 O ATOM 51 OE2 GLU A 7 -6.952 4.869 -4.671 1.00 0.00 O ATOM 0 H GLU A 7 -2.720 4.073 -6.565 1.00 0.00 H new ATOM 0 HA GLU A 7 -1.461 4.328 -3.953 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -3.554 3.481 -2.821 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -3.650 5.140 -3.377 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -4.569 3.309 -5.447 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -5.432 3.032 -3.948 1.00 0.00 H new ATOM 58 N TRP A 8 -1.761 1.731 -3.617 1.00 0.00 N ATOM 59 CA TRP A 8 -1.507 0.297 -3.652 1.00 0.00 C ATOM 60 C TRP A 8 -2.495 -0.434 -2.746 1.00 0.00 C ATOM 61 O TRP A 8 -2.739 -0.013 -1.616 1.00 0.00 O ATOM 62 CB TRP A 8 -0.069 -0.017 -3.223 1.00 0.00 C ATOM 63 CG TRP A 8 0.120 -1.452 -2.837 1.00 0.00 C ATOM 64 CD1 TRP A 8 0.636 -2.452 -3.608 1.00 0.00 C ATOM 65 CD2 TRP A 8 -0.229 -2.047 -1.587 1.00 0.00 C ATOM 66 NE1 TRP A 8 0.620 -3.636 -2.913 1.00 0.00 N ATOM 67 CE2 TRP A 8 0.099 -3.411 -1.663 1.00 0.00 C ATOM 68 CE3 TRP A 8 -0.785 -1.552 -0.408 1.00 0.00 C ATOM 69 CZ2 TRP A 8 -0.118 -4.287 -0.599 1.00 0.00 C ATOM 70 CZ3 TRP A 8 -0.996 -2.418 0.642 1.00 0.00 C ATOM 71 CH2 TRP A 8 -0.664 -3.772 0.542 1.00 0.00 C ATOM 0 H TRP A 8 -1.705 2.143 -2.686 1.00 0.00 H new ATOM 0 HA TRP A 8 -1.640 -0.047 -4.678 1.00 0.00 H new ATOM 0 HB2 TRP A 8 0.611 0.228 -4.039 1.00 0.00 H new ATOM 0 HB3 TRP A 8 0.202 0.620 -2.381 1.00 0.00 H new ATOM 0 HD1 TRP A 8 1.003 -2.330 -4.616 1.00 0.00 H new ATOM 0 HE1 TRP A 8 0.943 -4.536 -3.268 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -1.046 -0.508 -0.320 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 0.136 -5.334 -0.675 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 -1.426 -2.044 1.559 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -0.843 -4.424 1.384 1.00 0.00 H new ATOM 82 N ALA A 9 -3.056 -1.531 -3.245 1.00 0.00 N ATOM 83 CA ALA A 9 -4.011 -2.316 -2.470 1.00 0.00 C ATOM 84 C ALA A 9 -3.645 -3.792 -2.482 1.00 0.00 C ATOM 85 O ALA A 9 -3.023 -4.283 -3.424 1.00 0.00 O ATOM 86 CB ALA A 9 -5.421 -2.131 -3.006 1.00 0.00 C ATOM 0 H ALA A 9 -2.867 -1.896 -4.179 1.00 0.00 H new ATOM 0 HA ALA A 9 -3.973 -1.957 -1.441 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -6.116 -2.725 -2.413 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -5.699 -1.079 -2.944 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -5.461 -2.456 -4.046 1.00 0.00 H new ATOM 92 N ALA A 10 -4.040 -4.495 -1.429 1.00 0.00 N ATOM 93 CA ALA A 10 -3.759 -5.919 -1.319 1.00 0.00 C ATOM 94 C ALA A 10 -4.818 -6.641 -0.503 1.00 0.00 C ATOM 95 O ALA A 10 -5.260 -6.148 0.532 1.00 0.00 O ATOM 96 CB ALA A 10 -2.399 -6.136 -0.686 1.00 0.00 C ATOM 0 H ALA A 10 -4.555 -4.103 -0.641 1.00 0.00 H new ATOM 0 HA ALA A 10 -3.767 -6.332 -2.328 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -2.200 -7.205 -0.609 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -1.632 -5.668 -1.302 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -2.386 -5.692 0.309 1.00 0.00 H new ATOM 102 N GLU A 11 -5.183 -7.834 -0.954 1.00 0.00 N ATOM 103 CA GLU A 11 -6.152 -8.655 -0.241 1.00 0.00 C ATOM 104 C GLU A 11 -5.394 -9.529 0.742 1.00 0.00 C ATOM 105 O GLU A 11 -4.499 -10.282 0.350 1.00 0.00 O ATOM 106 CB GLU A 11 -6.944 -9.522 -1.210 1.00 0.00 C ATOM 107 CG GLU A 11 -8.429 -9.594 -0.897 1.00 0.00 C ATOM 108 CD GLU A 11 -8.856 -10.963 -0.405 1.00 0.00 C ATOM 109 OE1 GLU A 11 -8.299 -11.970 -0.892 1.00 0.00 O ATOM 110 OE2 GLU A 11 -9.749 -11.028 0.466 1.00 0.00 O ATOM 0 H GLU A 11 -4.822 -8.255 -1.810 1.00 0.00 H new ATOM 0 HA GLU A 11 -6.861 -8.015 0.285 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -6.814 -9.133 -2.220 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -6.531 -10.531 -1.201 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -8.674 -8.848 -0.141 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -8.998 -9.340 -1.791 1.00 0.00 H new ATOM 117 N ILE A 12 -5.719 -9.400 2.015 1.00 0.00 N ATOM 118 CA ILE A 12 -5.025 -10.160 3.042 1.00 0.00 C ATOM 119 C ILE A 12 -5.932 -10.447 4.247 1.00 0.00 C ATOM 120 O ILE A 12 -6.539 -9.540 4.807 1.00 0.00 O ATOM 121 CB ILE A 12 -3.736 -9.419 3.481 1.00 0.00 C ATOM 122 CG1 ILE A 12 -3.453 -9.619 4.968 1.00 0.00 C ATOM 123 CG2 ILE A 12 -3.821 -7.933 3.147 1.00 0.00 C ATOM 124 CD1 ILE A 12 -4.248 -8.700 5.877 1.00 0.00 C ATOM 0 H ILE A 12 -6.452 -8.782 2.362 1.00 0.00 H new ATOM 0 HA ILE A 12 -4.745 -11.123 2.614 1.00 0.00 H new ATOM 0 HB ILE A 12 -2.906 -9.851 2.923 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -3.672 -10.653 5.233 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -2.390 -9.462 5.149 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -2.905 -7.436 3.465 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -3.947 -7.808 2.072 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -4.672 -7.492 3.666 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -3.990 -8.904 6.916 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -4.012 -7.662 5.642 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -5.314 -8.873 5.727 1.00 0.00 H new ATOM 128 N PRO A 13 -6.060 -11.729 4.637 1.00 0.00 N ATOM 129 CA PRO A 13 -6.920 -12.150 5.750 1.00 0.00 C ATOM 130 C PRO A 13 -6.353 -11.894 7.155 1.00 0.00 C ATOM 131 O PRO A 13 -7.070 -11.408 8.030 1.00 0.00 O ATOM 132 CB PRO A 13 -7.069 -13.667 5.541 1.00 0.00 C ATOM 133 CG PRO A 13 -6.413 -13.977 4.236 1.00 0.00 C ATOM 134 CD PRO A 13 -5.423 -12.880 3.992 1.00 0.00 C ATOM 0 HA PRO A 13 -7.846 -11.575 5.728 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -6.598 -14.220 6.354 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -8.120 -13.956 5.526 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -5.917 -14.947 4.271 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -7.148 -14.023 3.433 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -4.451 -13.105 4.432 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -5.260 -12.710 2.928 1.00 0.00 H new ATOM 142 N GLY A 14 -5.097 -12.280 7.396 1.00 0.00 N ATOM 143 CA GLY A 14 -4.530 -12.134 8.733 1.00 0.00 C ATOM 144 C GLY A 14 -3.579 -10.968 8.925 1.00 0.00 C ATOM 145 O GLY A 14 -3.296 -10.588 10.061 1.00 0.00 O ATOM 0 H GLY A 14 -4.470 -12.685 6.701 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -5.349 -12.031 9.445 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -4.002 -13.054 8.985 1.00 0.00 H new ATOM 149 N GLY A 15 -3.085 -10.394 7.844 1.00 0.00 N ATOM 150 CA GLY A 15 -2.171 -9.271 7.958 1.00 0.00 C ATOM 151 C GLY A 15 -2.847 -8.012 8.475 1.00 0.00 C ATOM 152 O GLY A 15 -2.458 -6.905 8.112 1.00 0.00 O ATOM 0 H GLY A 15 -3.297 -10.681 6.888 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -1.354 -9.540 8.627 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -1.730 -9.067 6.982 1.00 0.00 H new ATOM 156 N GLN A 16 -3.861 -8.178 9.316 1.00 0.00 N ATOM 157 CA GLN A 16 -4.587 -7.047 9.875 1.00 0.00 C ATOM 158 C GLN A 16 -3.662 -6.178 10.720 1.00 0.00 C ATOM 159 O GLN A 16 -3.272 -5.086 10.306 1.00 0.00 O ATOM 160 CB GLN A 16 -5.761 -7.548 10.717 1.00 0.00 C ATOM 161 CG GLN A 16 -6.947 -8.016 9.888 1.00 0.00 C ATOM 162 CD GLN A 16 -8.266 -7.461 10.390 1.00 0.00 C ATOM 163 OE1 GLN A 16 -8.960 -6.737 9.675 1.00 0.00 O ATOM 164 NE2 GLN A 16 -8.619 -7.799 11.624 1.00 0.00 N ATOM 0 H GLN A 16 -4.199 -9.089 9.626 1.00 0.00 H new ATOM 0 HA GLN A 16 -4.971 -6.439 9.056 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -5.421 -8.370 11.347 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -6.086 -6.749 11.384 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -6.802 -7.715 8.851 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -6.987 -9.105 9.901 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -8.013 -8.401 12.181 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -9.496 -7.456 12.015 1.00 0.00 H new ATOM 171 N GLU A 17 -3.306 -6.671 11.901 1.00 0.00 N ATOM 172 CA GLU A 17 -2.415 -5.939 12.795 1.00 0.00 C ATOM 173 C GLU A 17 -1.083 -5.648 12.108 1.00 0.00 C ATOM 174 O GLU A 17 -0.375 -4.709 12.473 1.00 0.00 O ATOM 175 CB GLU A 17 -2.180 -6.733 14.080 1.00 0.00 C ATOM 176 CG GLU A 17 -3.436 -6.926 14.915 1.00 0.00 C ATOM 177 CD GLU A 17 -3.136 -7.077 16.393 1.00 0.00 C ATOM 178 OE1 GLU A 17 -2.722 -6.079 17.020 1.00 0.00 O ATOM 179 OE2 GLU A 17 -3.314 -8.194 16.923 1.00 0.00 O ATOM 0 H GLU A 17 -3.620 -7.572 12.261 1.00 0.00 H new ATOM 0 HA GLU A 17 -2.889 -4.991 13.049 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -1.771 -7.710 13.824 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -1.429 -6.221 14.682 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -4.100 -6.074 14.768 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -3.969 -7.810 14.564 1.00 0.00 H new ATOM 186 N ALA A 18 -0.753 -6.458 11.106 1.00 0.00 N ATOM 187 CA ALA A 18 0.486 -6.289 10.358 1.00 0.00 C ATOM 188 C ALA A 18 0.330 -5.197 9.310 1.00 0.00 C ATOM 189 O ALA A 18 1.261 -4.438 9.047 1.00 0.00 O ATOM 190 CB ALA A 18 0.893 -7.601 9.704 1.00 0.00 C ATOM 0 H ALA A 18 -1.329 -7.240 10.794 1.00 0.00 H new ATOM 0 HA ALA A 18 1.272 -5.990 11.052 1.00 0.00 H new ATOM 0 HB1 ALA A 18 1.820 -7.459 9.149 1.00 0.00 H new ATOM 0 HB2 ALA A 18 1.043 -8.359 10.472 1.00 0.00 H new ATOM 0 HB3 ALA A 18 0.108 -7.926 9.021 1.00 0.00 H new ATOM 196 N ALA A 19 -0.863 -5.120 8.730 1.00 0.00 N ATOM 197 CA ALA A 19 -1.168 -4.117 7.720 1.00 0.00 C ATOM 198 C ALA A 19 -0.999 -2.728 8.301 1.00 0.00 C ATOM 199 O ALA A 19 -0.181 -1.938 7.829 1.00 0.00 O ATOM 200 CB ALA A 19 -2.586 -4.312 7.203 1.00 0.00 C ATOM 0 H ALA A 19 -1.639 -5.746 8.945 1.00 0.00 H new ATOM 0 HA ALA A 19 -0.477 -4.230 6.885 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -2.805 -3.557 6.448 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -2.679 -5.304 6.762 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -3.291 -4.215 8.029 1.00 0.00 H new ATOM 206 N SER A 20 -1.758 -2.449 9.350 1.00 0.00 N ATOM 207 CA SER A 20 -1.692 -1.160 10.020 1.00 0.00 C ATOM 208 C SER A 20 -0.268 -0.866 10.467 1.00 0.00 C ATOM 209 O SER A 20 0.113 0.290 10.656 1.00 0.00 O ATOM 210 CB SER A 20 -2.635 -1.134 11.223 1.00 0.00 C ATOM 211 OG SER A 20 -2.461 -2.283 12.034 1.00 0.00 O ATOM 0 H SER A 20 -2.429 -3.101 9.756 1.00 0.00 H new ATOM 0 HA SER A 20 -2.004 -0.390 9.314 1.00 0.00 H new ATOM 0 HB2 SER A 20 -2.450 -0.237 11.814 1.00 0.00 H new ATOM 0 HB3 SER A 20 -3.668 -1.082 10.878 1.00 0.00 H new ATOM 0 HG SER A 20 -3.075 -2.241 12.797 1.00 0.00 H new ATOM 217 N ALA A 21 0.515 -1.926 10.638 1.00 0.00 N ATOM 218 CA ALA A 21 1.891 -1.791 11.067 1.00 0.00 C ATOM 219 C ALA A 21 2.796 -1.333 9.926 1.00 0.00 C ATOM 220 O ALA A 21 3.905 -0.857 10.162 1.00 0.00 O ATOM 221 CB ALA A 21 2.393 -3.105 11.642 1.00 0.00 C ATOM 0 H ALA A 21 0.213 -2.888 10.484 1.00 0.00 H new ATOM 0 HA ALA A 21 1.923 -1.025 11.842 1.00 0.00 H new ATOM 0 HB1 ALA A 21 3.429 -2.990 11.961 1.00 0.00 H new ATOM 0 HB2 ALA A 21 1.779 -3.386 12.498 1.00 0.00 H new ATOM 0 HB3 ALA A 21 2.332 -3.882 10.880 1.00 0.00 H new ATOM 227 N ILE A 22 2.324 -1.479 8.689 1.00 0.00 N ATOM 228 CA ILE A 22 3.103 -1.076 7.533 1.00 0.00 C ATOM 229 C ILE A 22 3.006 0.425 7.321 1.00 0.00 C ATOM 230 O ILE A 22 3.973 1.152 7.531 1.00 0.00 O ATOM 231 CB ILE A 22 2.646 -1.795 6.248 1.00 0.00 C ATOM 232 CG1 ILE A 22 2.239 -3.241 6.546 1.00 0.00 C ATOM 233 CG2 ILE A 22 3.754 -1.759 5.212 1.00 0.00 C ATOM 234 CD1 ILE A 22 1.641 -3.958 5.356 1.00 0.00 C ATOM 0 H ILE A 22 1.409 -1.872 8.468 1.00 0.00 H new ATOM 0 HA ILE A 22 4.136 -1.357 7.736 1.00 0.00 H new ATOM 0 HB ILE A 22 1.774 -1.274 5.852 1.00 0.00 H new ATOM 0 HG12 ILE A 22 3.114 -3.793 6.890 1.00 0.00 H new ATOM 0 HG13 ILE A 22 1.517 -3.246 7.363 1.00 0.00 H new ATOM 0 HG21 ILE A 22 3.423 -2.269 4.307 1.00 0.00 H new ATOM 0 HG22 ILE A 22 3.998 -0.723 4.976 1.00 0.00 H new ATOM 0 HG23 ILE A 22 4.638 -2.259 5.607 1.00 0.00 H new ATOM 0 HD11 ILE A 22 1.376 -4.976 5.640 1.00 0.00 H new ATOM 0 HD12 ILE A 22 0.747 -3.430 5.025 1.00 0.00 H new ATOM 0 HD13 ILE A 22 2.368 -3.985 4.544 1.00 0.00 H new ATOM 238 N ALA A 23 1.823 0.882 6.913 1.00 0.00 N ATOM 239 CA ALA A 23 1.580 2.304 6.675 1.00 0.00 C ATOM 240 C ALA A 23 2.178 3.158 7.784 1.00 0.00 C ATOM 241 O ALA A 23 2.623 4.282 7.554 1.00 0.00 O ATOM 242 CB ALA A 23 0.091 2.570 6.567 1.00 0.00 C ATOM 0 H ALA A 23 1.014 0.285 6.740 1.00 0.00 H new ATOM 0 HA ALA A 23 2.064 2.574 5.736 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -0.077 3.632 6.390 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -0.322 1.994 5.739 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -0.400 2.275 7.495 1.00 0.00 H new ATOM 248 N GLU A 24 2.170 2.612 8.992 1.00 0.00 N ATOM 249 CA GLU A 24 2.698 3.311 10.153 1.00 0.00 C ATOM 250 C GLU A 24 4.221 3.413 10.101 1.00 0.00 C ATOM 251 O GLU A 24 4.798 4.417 10.516 1.00 0.00 O ATOM 252 CB GLU A 24 2.269 2.601 11.438 1.00 0.00 C ATOM 253 CG GLU A 24 0.827 2.871 11.831 1.00 0.00 C ATOM 254 CD GLU A 24 0.445 2.205 13.139 1.00 0.00 C ATOM 255 OE1 GLU A 24 0.608 0.971 13.245 1.00 0.00 O ATOM 256 OE2 GLU A 24 -0.017 2.916 14.055 1.00 0.00 O ATOM 0 H GLU A 24 1.801 1.682 9.193 1.00 0.00 H new ATOM 0 HA GLU A 24 2.291 4.322 10.144 1.00 0.00 H new ATOM 0 HB2 GLU A 24 2.408 1.527 11.313 1.00 0.00 H new ATOM 0 HB3 GLU A 24 2.923 2.914 12.252 1.00 0.00 H new ATOM 0 HG2 GLU A 24 0.673 3.947 11.917 1.00 0.00 H new ATOM 0 HG3 GLU A 24 0.166 2.516 11.040 1.00 0.00 H new ATOM 263 N GLU A 25 4.867 2.362 9.605 1.00 0.00 N ATOM 264 CA GLU A 25 6.323 2.336 9.519 1.00 0.00 C ATOM 265 C GLU A 25 6.840 3.108 8.304 1.00 0.00 C ATOM 266 O GLU A 25 7.372 4.209 8.439 1.00 0.00 O ATOM 267 CB GLU A 25 6.822 0.889 9.467 1.00 0.00 C ATOM 268 CG GLU A 25 8.336 0.768 9.443 1.00 0.00 C ATOM 269 CD GLU A 25 8.910 0.356 10.784 1.00 0.00 C ATOM 270 OE1 GLU A 25 8.763 -0.827 11.157 1.00 0.00 O ATOM 271 OE2 GLU A 25 9.507 1.218 11.465 1.00 0.00 O ATOM 0 H GLU A 25 4.407 1.520 9.258 1.00 0.00 H new ATOM 0 HA GLU A 25 6.711 2.826 10.412 1.00 0.00 H new ATOM 0 HB2 GLU A 25 6.436 0.349 10.332 1.00 0.00 H new ATOM 0 HB3 GLU A 25 6.413 0.404 8.581 1.00 0.00 H new ATOM 0 HG2 GLU A 25 8.626 0.037 8.688 1.00 0.00 H new ATOM 0 HG3 GLU A 25 8.768 1.723 9.145 1.00 0.00 H new ATOM 278 N LEU A 26 6.701 2.514 7.122 1.00 0.00 N ATOM 279 CA LEU A 26 7.176 3.134 5.889 1.00 0.00 C ATOM 280 C LEU A 26 6.613 4.544 5.684 1.00 0.00 C ATOM 281 O LEU A 26 7.241 5.372 5.024 1.00 0.00 O ATOM 282 CB LEU A 26 6.877 2.228 4.690 1.00 0.00 C ATOM 283 CG LEU A 26 5.446 2.232 4.140 1.00 0.00 C ATOM 284 CD1 LEU A 26 5.163 0.926 3.429 1.00 0.00 C ATOM 285 CD2 LEU A 26 4.408 2.465 5.226 1.00 0.00 C ATOM 0 H LEU A 26 6.262 1.602 6.992 1.00 0.00 H new ATOM 0 HA LEU A 26 8.256 3.250 5.976 1.00 0.00 H new ATOM 0 HB2 LEU A 26 7.550 2.509 3.880 1.00 0.00 H new ATOM 0 HB3 LEU A 26 7.127 1.205 4.971 1.00 0.00 H new ATOM 0 HG LEU A 26 5.372 3.062 3.437 1.00 0.00 H new ATOM 0 HD11 LEU A 26 4.144 0.936 3.041 1.00 0.00 H new ATOM 0 HD12 LEU A 26 5.864 0.801 2.604 1.00 0.00 H new ATOM 0 HD13 LEU A 26 5.276 0.098 4.129 1.00 0.00 H new ATOM 0 HD21 LEU A 26 3.412 2.459 4.784 1.00 0.00 H new ATOM 0 HD22 LEU A 26 4.479 1.674 5.973 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.588 3.429 5.701 1.00 0.00 H new ATOM 291 N GLY A 27 5.455 4.829 6.273 1.00 0.00 N ATOM 292 CA GLY A 27 4.875 6.160 6.154 1.00 0.00 C ATOM 293 C GLY A 27 3.817 6.297 5.068 1.00 0.00 C ATOM 294 O GLY A 27 4.053 6.938 4.044 1.00 0.00 O ATOM 0 H GLY A 27 4.909 4.169 6.827 1.00 0.00 H new ATOM 0 HA2 GLY A 27 4.432 6.436 7.111 1.00 0.00 H new ATOM 0 HA3 GLY A 27 5.675 6.874 5.956 1.00 0.00 H new ATOM 298 N TYR A 28 2.641 5.724 5.305 1.00 0.00 N ATOM 299 CA TYR A 28 1.530 5.820 4.352 1.00 0.00 C ATOM 300 C TYR A 28 0.189 5.755 5.083 1.00 0.00 C ATOM 301 O TYR A 28 0.148 5.665 6.309 1.00 0.00 O ATOM 302 CB TYR A 28 1.608 4.706 3.297 1.00 0.00 C ATOM 303 CG TYR A 28 2.680 4.923 2.256 1.00 0.00 C ATOM 304 CD1 TYR A 28 4.000 4.641 2.546 1.00 0.00 C ATOM 305 CD2 TYR A 28 2.371 5.387 0.984 1.00 0.00 C ATOM 306 CE1 TYR A 28 4.995 4.817 1.609 1.00 0.00 C ATOM 307 CE2 TYR A 28 3.358 5.570 0.034 1.00 0.00 C ATOM 308 CZ TYR A 28 4.669 5.285 0.352 1.00 0.00 C ATOM 309 OH TYR A 28 5.657 5.468 -0.588 1.00 0.00 O ATOM 0 H TYR A 28 2.429 5.188 6.146 1.00 0.00 H new ATOM 0 HA TYR A 28 1.610 6.781 3.843 1.00 0.00 H new ATOM 0 HB2 TYR A 28 1.790 3.756 3.799 1.00 0.00 H new ATOM 0 HB3 TYR A 28 0.642 4.623 2.798 1.00 0.00 H new ATOM 0 HD1 TYR A 28 4.258 4.275 3.529 1.00 0.00 H new ATOM 0 HD2 TYR A 28 1.344 5.608 0.733 1.00 0.00 H new ATOM 0 HE1 TYR A 28 6.022 4.591 1.856 1.00 0.00 H new ATOM 0 HE2 TYR A 28 3.104 5.934 -0.951 1.00 0.00 H new ATOM 0 HH TYR A 28 5.575 6.363 -0.978 1.00 0.00 H new ATOM 319 N ASP A 29 -0.903 5.790 4.325 1.00 0.00 N ATOM 320 CA ASP A 29 -2.244 5.719 4.904 1.00 0.00 C ATOM 321 C ASP A 29 -2.799 4.310 4.737 1.00 0.00 C ATOM 322 O ASP A 29 -2.937 3.827 3.620 1.00 0.00 O ATOM 323 CB ASP A 29 -3.176 6.732 4.238 1.00 0.00 C ATOM 324 CG ASP A 29 -3.024 8.125 4.813 1.00 0.00 C ATOM 325 OD1 ASP A 29 -1.871 8.551 5.041 1.00 0.00 O ATOM 326 OD2 ASP A 29 -4.056 8.793 5.037 1.00 0.00 O ATOM 0 H ASP A 29 -0.887 5.867 3.308 1.00 0.00 H new ATOM 0 HA ASP A 29 -2.180 5.960 5.965 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -2.972 6.760 3.168 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -4.209 6.404 4.357 1.00 0.00 H new ATOM 331 N LEU A 30 -3.086 3.642 5.847 1.00 0.00 N ATOM 332 CA LEU A 30 -3.583 2.270 5.797 1.00 0.00 C ATOM 333 C LEU A 30 -5.096 2.185 5.689 1.00 0.00 C ATOM 334 O LEU A 30 -5.824 2.841 6.434 1.00 0.00 O ATOM 335 CB LEU A 30 -3.155 1.513 7.047 1.00 0.00 C ATOM 336 CG LEU A 30 -2.856 0.027 6.845 1.00 0.00 C ATOM 337 CD1 LEU A 30 -3.733 -0.593 5.787 1.00 0.00 C ATOM 338 CD2 LEU A 30 -1.420 -0.179 6.454 1.00 0.00 C ATOM 0 H LEU A 30 -2.985 4.023 6.788 1.00 0.00 H new ATOM 0 HA LEU A 30 -3.154 1.827 4.898 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -2.265 1.993 7.455 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -3.941 1.609 7.796 1.00 0.00 H new ATOM 0 HG LEU A 30 -3.061 -0.460 7.799 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -3.483 -1.649 5.680 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -4.779 -0.495 6.078 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -3.572 -0.084 4.837 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -1.230 -1.243 6.316 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -1.217 0.350 5.523 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.770 0.207 7.240 1.00 0.00 H new ATOM 344 N LEU A 31 -5.557 1.329 4.782 1.00 0.00 N ATOM 345 CA LEU A 31 -6.981 1.106 4.600 1.00 0.00 C ATOM 346 C LEU A 31 -7.263 -0.353 4.263 1.00 0.00 C ATOM 347 O LEU A 31 -7.179 -0.770 3.108 1.00 0.00 O ATOM 348 CB LEU A 31 -7.562 2.014 3.514 1.00 0.00 C ATOM 349 CG LEU A 31 -7.428 3.523 3.750 1.00 0.00 C ATOM 350 CD1 LEU A 31 -7.931 3.907 5.136 1.00 0.00 C ATOM 351 CD2 LEU A 31 -5.985 3.971 3.554 1.00 0.00 C ATOM 0 H LEU A 31 -4.961 0.779 4.163 1.00 0.00 H new ATOM 0 HA LEU A 31 -7.468 1.353 5.544 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -7.077 1.771 2.569 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -8.620 1.778 3.400 1.00 0.00 H new ATOM 0 HG LEU A 31 -8.048 4.036 3.015 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -7.824 4.983 5.277 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -8.981 3.631 5.231 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -7.348 3.382 5.893 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -5.911 5.045 3.726 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.342 3.445 4.260 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -5.669 3.744 2.536 1.00 0.00 H new ATOM 357 N GLY A 32 -7.585 -1.114 5.297 1.00 0.00 N ATOM 358 CA GLY A 32 -7.869 -2.534 5.144 1.00 0.00 C ATOM 359 C GLY A 32 -9.337 -2.864 5.000 1.00 0.00 C ATOM 360 O GLY A 32 -9.833 -3.779 5.656 1.00 0.00 O ATOM 0 H GLY A 32 -7.657 -0.771 6.255 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -7.338 -2.906 4.268 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -7.472 -3.067 6.008 1.00 0.00 H new ATOM 364 N GLN A 33 -10.036 -2.140 4.144 1.00 0.00 N ATOM 365 CA GLN A 33 -11.452 -2.400 3.936 1.00 0.00 C ATOM 366 C GLN A 33 -11.894 -2.003 2.539 1.00 0.00 C ATOM 367 O GLN A 33 -12.134 -0.828 2.262 1.00 0.00 O ATOM 368 CB GLN A 33 -12.281 -1.674 4.995 1.00 0.00 C ATOM 369 CG GLN A 33 -12.245 -0.159 4.870 1.00 0.00 C ATOM 370 CD GLN A 33 -12.469 0.540 6.195 1.00 0.00 C ATOM 371 OE1 GLN A 33 -12.672 -0.104 7.224 1.00 0.00 O ATOM 372 NE2 GLN A 33 -12.432 1.868 6.178 1.00 0.00 N ATOM 0 H GLN A 33 -9.653 -1.376 3.587 1.00 0.00 H new ATOM 0 HA GLN A 33 -11.616 -3.473 4.035 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -13.316 -2.010 4.927 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -11.919 -1.956 5.983 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -11.282 0.145 4.461 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -13.008 0.162 4.161 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -12.261 2.362 5.302 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -12.575 2.393 7.041 1.00 0.00 H new ATOM 379 N ILE A 34 -12.019 -2.992 1.661 1.00 0.00 N ATOM 380 CA ILE A 34 -12.458 -2.722 0.304 1.00 0.00 C ATOM 381 C ILE A 34 -13.973 -2.606 0.246 1.00 0.00 C ATOM 382 O ILE A 34 -14.538 -2.169 -0.757 1.00 0.00 O ATOM 383 CB ILE A 34 -11.982 -3.787 -0.701 1.00 0.00 C ATOM 384 CG1 ILE A 34 -12.232 -5.203 -0.183 1.00 0.00 C ATOM 385 CG2 ILE A 34 -10.512 -3.587 -1.035 1.00 0.00 C ATOM 386 CD1 ILE A 34 -13.678 -5.620 -0.292 1.00 0.00 C ATOM 0 H ILE A 34 -11.825 -3.973 1.863 1.00 0.00 H new ATOM 0 HA ILE A 34 -12.003 -1.774 0.015 1.00 0.00 H new ATOM 0 HB ILE A 34 -12.566 -3.665 -1.613 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -11.613 -5.904 -0.743 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -11.919 -5.264 0.859 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -10.194 -4.349 -1.747 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -10.370 -2.599 -1.473 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -9.918 -3.669 -0.125 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -13.794 -6.634 0.091 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -14.298 -4.939 0.291 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -13.988 -5.589 -1.337 1.00 0.00 H new ATOM 390 N GLY A 35 -14.623 -2.986 1.339 1.00 0.00 N ATOM 391 CA GLY A 35 -16.072 -2.906 1.408 1.00 0.00 C ATOM 392 C GLY A 35 -16.733 -4.265 1.386 1.00 0.00 C ATOM 393 O GLY A 35 -17.399 -4.656 2.344 1.00 0.00 O ATOM 0 H GLY A 35 -14.174 -3.348 2.180 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -16.360 -2.381 2.319 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -16.439 -2.314 0.570 1.00 0.00 H new ATOM 397 N SER A 36 -16.547 -4.993 0.289 1.00 0.00 N ATOM 398 CA SER A 36 -17.126 -6.323 0.147 1.00 0.00 C ATOM 399 C SER A 36 -16.759 -7.210 1.335 1.00 0.00 C ATOM 400 O SER A 36 -17.439 -8.196 1.621 1.00 0.00 O ATOM 401 CB SER A 36 -16.650 -6.972 -1.155 1.00 0.00 C ATOM 402 OG SER A 36 -17.604 -6.802 -2.188 1.00 0.00 O ATOM 0 H SER A 36 -16.000 -4.683 -0.514 1.00 0.00 H new ATOM 0 HA SER A 36 -18.211 -6.218 0.119 1.00 0.00 H new ATOM 0 HB2 SER A 36 -15.700 -6.533 -1.458 1.00 0.00 H new ATOM 0 HB3 SER A 36 -16.472 -8.035 -0.991 1.00 0.00 H new ATOM 0 HG SER A 36 -17.276 -7.224 -3.009 1.00 0.00 H new ATOM 408 N LEU A 37 -15.677 -6.854 2.019 1.00 0.00 N ATOM 409 CA LEU A 37 -15.209 -7.611 3.169 1.00 0.00 C ATOM 410 C LEU A 37 -14.286 -6.747 4.032 1.00 0.00 C ATOM 411 O LEU A 37 -14.307 -5.520 3.940 1.00 0.00 O ATOM 412 CB LEU A 37 -14.479 -8.873 2.689 1.00 0.00 C ATOM 413 CG LEU A 37 -13.394 -8.649 1.624 1.00 0.00 C ATOM 414 CD1 LEU A 37 -12.544 -7.427 1.941 1.00 0.00 C ATOM 415 CD2 LEU A 37 -12.509 -9.874 1.506 1.00 0.00 C ATOM 0 H LEU A 37 -15.106 -6.040 1.793 1.00 0.00 H new ATOM 0 HA LEU A 37 -16.063 -7.908 3.778 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -14.021 -9.356 3.552 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -15.217 -9.568 2.289 1.00 0.00 H new ATOM 0 HG LEU A 37 -13.898 -8.475 0.673 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -11.787 -7.299 1.167 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -13.179 -6.542 1.977 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -12.056 -7.564 2.906 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -11.746 -9.700 0.748 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -12.030 -10.070 2.465 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -13.114 -10.734 1.220 1.00 0.00 H new ATOM 421 N GLU A 38 -13.466 -7.394 4.850 1.00 0.00 N ATOM 422 CA GLU A 38 -12.526 -6.695 5.706 1.00 0.00 C ATOM 423 C GLU A 38 -11.227 -7.478 5.791 1.00 0.00 C ATOM 424 O GLU A 38 -11.071 -8.357 6.639 1.00 0.00 O ATOM 425 CB GLU A 38 -13.111 -6.509 7.097 1.00 0.00 C ATOM 426 CG GLU A 38 -14.516 -5.932 7.091 1.00 0.00 C ATOM 427 CD GLU A 38 -14.744 -4.938 8.214 1.00 0.00 C ATOM 428 OE1 GLU A 38 -14.809 -5.369 9.383 1.00 0.00 O ATOM 429 OE2 GLU A 38 -14.857 -3.729 7.922 1.00 0.00 O ATOM 0 H GLU A 38 -13.436 -8.410 4.936 1.00 0.00 H new ATOM 0 HA GLU A 38 -12.327 -5.712 5.278 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -13.124 -7.471 7.609 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -12.459 -5.851 7.672 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -14.699 -5.442 6.135 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -15.238 -6.744 7.177 1.00 0.00 H new ATOM 436 N ASN A 39 -10.300 -7.161 4.898 1.00 0.00 N ATOM 437 CA ASN A 39 -9.009 -7.855 4.869 1.00 0.00 C ATOM 438 C ASN A 39 -8.068 -7.271 3.814 1.00 0.00 C ATOM 439 O ASN A 39 -6.852 -7.329 3.951 1.00 0.00 O ATOM 440 CB ASN A 39 -9.237 -9.361 4.659 1.00 0.00 C ATOM 441 CG ASN A 39 -9.043 -9.814 3.223 1.00 0.00 C ATOM 442 OD1 ASN A 39 -8.262 -10.723 2.947 1.00 0.00 O ATOM 443 ND2 ASN A 39 -9.759 -9.187 2.302 1.00 0.00 N ATOM 0 H ASN A 39 -10.410 -6.436 4.189 1.00 0.00 H new ATOM 0 HA ASN A 39 -8.516 -7.707 5.830 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -8.553 -9.916 5.301 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -10.248 -9.614 4.977 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -9.674 -9.453 1.321 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -10.396 -8.438 2.574 1.00 0.00 H new ATOM 448 N HIS A 40 -8.646 -6.701 2.779 1.00 0.00 N ATOM 449 CA HIS A 40 -7.897 -6.076 1.704 1.00 0.00 C ATOM 450 C HIS A 40 -7.391 -4.710 2.161 1.00 0.00 C ATOM 451 O HIS A 40 -8.169 -3.765 2.286 1.00 0.00 O ATOM 452 CB HIS A 40 -8.805 -5.923 0.481 1.00 0.00 C ATOM 453 CG HIS A 40 -8.084 -5.860 -0.828 1.00 0.00 C ATOM 454 ND1 HIS A 40 -7.083 -4.953 -1.099 1.00 0.00 N ATOM 455 CD2 HIS A 40 -8.249 -6.584 -1.961 1.00 0.00 C ATOM 456 CE1 HIS A 40 -6.668 -5.120 -2.342 1.00 0.00 C ATOM 457 NE2 HIS A 40 -7.357 -6.103 -2.887 1.00 0.00 N ATOM 0 H HIS A 40 -9.658 -6.657 2.656 1.00 0.00 H new ATOM 0 HA HIS A 40 -7.041 -6.697 1.439 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -9.503 -6.760 0.456 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -9.399 -5.016 0.597 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -8.952 -7.390 -2.108 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -5.894 -4.547 -2.830 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -7.246 -6.449 -3.840 1.00 0.00 H new ATOM 466 N TYR A 41 -6.092 -4.611 2.425 1.00 0.00 N ATOM 467 CA TYR A 41 -5.511 -3.354 2.886 1.00 0.00 C ATOM 468 C TYR A 41 -4.839 -2.606 1.745 1.00 0.00 C ATOM 469 O TYR A 41 -4.411 -3.204 0.759 1.00 0.00 O ATOM 470 CB TYR A 41 -4.529 -3.597 4.038 1.00 0.00 C ATOM 471 CG TYR A 41 -5.199 -4.094 5.311 1.00 0.00 C ATOM 472 CD1 TYR A 41 -5.712 -5.380 5.385 1.00 0.00 C ATOM 473 CD2 TYR A 41 -5.306 -3.285 6.442 1.00 0.00 C ATOM 474 CE1 TYR A 41 -6.310 -5.851 6.540 1.00 0.00 C ATOM 475 CE2 TYR A 41 -5.905 -3.748 7.599 1.00 0.00 C ATOM 476 CZ TYR A 41 -6.402 -5.030 7.644 1.00 0.00 C ATOM 477 OH TYR A 41 -6.995 -5.494 8.795 1.00 0.00 O ATOM 0 H TYR A 41 -5.427 -5.378 2.329 1.00 0.00 H new ATOM 0 HA TYR A 41 -6.322 -2.728 3.259 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -3.783 -4.325 3.721 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -3.998 -2.670 4.254 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -5.643 -6.027 4.523 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -4.914 -2.279 6.414 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -6.703 -6.856 6.577 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -5.982 -3.106 8.464 1.00 0.00 H new ATOM 0 HH TYR A 41 -7.903 -5.802 8.594 1.00 0.00 H new ATOM 487 N LEU A 42 -4.767 -1.287 1.884 1.00 0.00 N ATOM 488 CA LEU A 42 -4.168 -0.440 0.865 1.00 0.00 C ATOM 489 C LEU A 42 -3.572 0.804 1.505 1.00 0.00 C ATOM 490 O LEU A 42 -4.082 1.294 2.513 1.00 0.00 O ATOM 491 CB LEU A 42 -5.222 -0.074 -0.201 1.00 0.00 C ATOM 492 CG LEU A 42 -5.649 1.401 -0.276 1.00 0.00 C ATOM 493 CD1 LEU A 42 -5.442 1.944 -1.681 1.00 0.00 C ATOM 494 CD2 LEU A 42 -7.102 1.555 0.145 1.00 0.00 C ATOM 0 H LEU A 42 -5.118 -0.781 2.697 1.00 0.00 H new ATOM 0 HA LEU A 42 -3.362 -0.982 0.371 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -4.833 -0.365 -1.177 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -6.112 -0.677 -0.020 1.00 0.00 H new ATOM 0 HG LEU A 42 -5.028 1.976 0.411 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -5.749 2.989 -1.716 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -4.388 1.866 -1.950 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -6.040 1.366 -2.386 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -7.388 2.605 0.086 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -7.737 0.968 -0.518 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -7.223 1.203 1.169 1.00 0.00 H new ATOM 500 N PHE A 43 -2.498 1.317 0.922 1.00 0.00 N ATOM 501 CA PHE A 43 -1.858 2.509 1.459 1.00 0.00 C ATOM 502 C PHE A 43 -1.755 3.605 0.403 1.00 0.00 C ATOM 503 O PHE A 43 -1.654 3.325 -0.791 1.00 0.00 O ATOM 504 CB PHE A 43 -0.460 2.192 2.003 1.00 0.00 C ATOM 505 CG PHE A 43 -0.293 0.785 2.503 1.00 0.00 C ATOM 506 CD1 PHE A 43 -1.279 0.177 3.259 1.00 0.00 C ATOM 507 CD2 PHE A 43 0.856 0.072 2.212 1.00 0.00 C ATOM 508 CE1 PHE A 43 -1.121 -1.118 3.716 1.00 0.00 C ATOM 509 CE2 PHE A 43 1.022 -1.220 2.666 1.00 0.00 C ATOM 510 CZ PHE A 43 0.031 -1.816 3.419 1.00 0.00 C ATOM 0 H PHE A 43 -2.056 0.932 0.087 1.00 0.00 H new ATOM 0 HA PHE A 43 -2.483 2.865 2.278 1.00 0.00 H new ATOM 0 HB2 PHE A 43 0.273 2.375 1.217 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -0.234 2.883 2.816 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -2.182 0.720 3.495 1.00 0.00 H new ATOM 0 HD2 PHE A 43 1.634 0.533 1.621 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -1.898 -1.582 4.305 1.00 0.00 H new ATOM 0 HE2 PHE A 43 1.925 -1.764 2.433 1.00 0.00 H new ATOM 0 HZ PHE A 43 0.157 -2.828 3.775 1.00 0.00 H new ATOM 520 N LYS A 44 -1.770 4.855 0.856 1.00 0.00 N ATOM 521 CA LYS A 44 -1.669 6.003 -0.040 1.00 0.00 C ATOM 522 C LYS A 44 -0.889 7.135 0.624 1.00 0.00 C ATOM 523 O LYS A 44 -1.205 7.539 1.744 1.00 0.00 O ATOM 524 CB LYS A 44 -3.065 6.495 -0.435 1.00 0.00 C ATOM 525 CG LYS A 44 -4.015 5.381 -0.836 1.00 0.00 C ATOM 526 CD LYS A 44 -4.861 4.920 0.341 1.00 0.00 C ATOM 527 CE LYS A 44 -6.022 5.866 0.597 1.00 0.00 C ATOM 528 NZ LYS A 44 -5.614 7.038 1.418 1.00 0.00 N ATOM 0 H LYS A 44 -1.852 5.100 1.843 1.00 0.00 H new ATOM 0 HA LYS A 44 -1.136 5.689 -0.938 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -3.497 7.045 0.401 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -2.972 7.197 -1.264 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -4.665 5.727 -1.639 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -3.445 4.539 -1.228 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -5.243 3.918 0.145 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -4.239 4.855 1.234 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -6.424 6.212 -0.355 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -6.823 5.328 1.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -6.403 7.322 2.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -4.793 6.783 2.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -5.361 7.829 0.792 1.00 0.00 H new ATOM 542 N HIS A 45 0.133 7.643 -0.063 1.00 0.00 N ATOM 543 CA HIS A 45 0.946 8.725 0.483 1.00 0.00 C ATOM 544 C HIS A 45 1.847 9.350 -0.582 1.00 0.00 C ATOM 545 O HIS A 45 3.073 9.281 -0.489 1.00 0.00 O ATOM 546 CB HIS A 45 1.795 8.212 1.645 1.00 0.00 C ATOM 547 CG HIS A 45 2.114 9.261 2.664 1.00 0.00 C ATOM 548 ND1 HIS A 45 1.434 9.384 3.858 1.00 0.00 N ATOM 549 CD2 HIS A 45 3.051 10.240 2.664 1.00 0.00 C ATOM 550 CE1 HIS A 45 1.937 10.393 4.546 1.00 0.00 C ATOM 551 NE2 HIS A 45 2.919 10.928 3.846 1.00 0.00 N ATOM 0 H HIS A 45 0.415 7.325 -0.990 1.00 0.00 H new ATOM 0 HA HIS A 45 0.266 9.498 0.842 1.00 0.00 H new ATOM 0 HB2 HIS A 45 1.269 7.391 2.133 1.00 0.00 H new ATOM 0 HB3 HIS A 45 2.726 7.805 1.251 1.00 0.00 H new ATOM 0 HD2 HIS A 45 3.767 10.442 1.881 1.00 0.00 H new ATOM 0 HE1 HIS A 45 1.601 10.724 5.518 1.00 0.00 H new ATOM 0 HE2 HIS A 45 3.488 11.724 4.135 1.00 0.00 H new ATOM 560 N LYS A 46 1.235 9.974 -1.582 1.00 0.00 N ATOM 561 CA LYS A 46 1.987 10.626 -2.649 1.00 0.00 C ATOM 562 C LYS A 46 1.125 11.658 -3.363 1.00 0.00 C ATOM 563 O LYS A 46 0.505 11.365 -4.386 1.00 0.00 O ATOM 564 CB LYS A 46 2.518 9.605 -3.656 1.00 0.00 C ATOM 565 CG LYS A 46 1.533 8.498 -3.992 1.00 0.00 C ATOM 566 CD LYS A 46 1.835 7.227 -3.216 1.00 0.00 C ATOM 567 CE LYS A 46 2.965 6.438 -3.858 1.00 0.00 C ATOM 568 NZ LYS A 46 3.102 5.078 -3.266 1.00 0.00 N ATOM 0 H LYS A 46 0.222 10.042 -1.677 1.00 0.00 H new ATOM 0 HA LYS A 46 2.837 11.131 -2.190 1.00 0.00 H new ATOM 0 HB2 LYS A 46 2.792 10.124 -4.574 1.00 0.00 H new ATOM 0 HB3 LYS A 46 3.429 9.158 -3.259 1.00 0.00 H new ATOM 0 HG2 LYS A 46 0.520 8.831 -3.767 1.00 0.00 H new ATOM 0 HG3 LYS A 46 1.570 8.290 -5.061 1.00 0.00 H new ATOM 0 HD2 LYS A 46 2.104 7.481 -2.191 1.00 0.00 H new ATOM 0 HD3 LYS A 46 0.939 6.608 -3.167 1.00 0.00 H new ATOM 0 HE2 LYS A 46 2.783 6.351 -4.929 1.00 0.00 H new ATOM 0 HE3 LYS A 46 3.902 6.982 -3.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 3.810 5.100 -2.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 2.186 4.774 -2.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 3.405 4.408 -4.001 1.00 0.00 H new ATOM 582 N SER A 47 1.091 12.865 -2.815 1.00 0.00 N ATOM 583 CA SER A 47 0.307 13.942 -3.390 1.00 0.00 C ATOM 584 C SER A 47 1.198 14.959 -4.100 1.00 0.00 C ATOM 585 O SER A 47 0.784 16.090 -4.354 1.00 0.00 O ATOM 586 CB SER A 47 -0.510 14.632 -2.300 1.00 0.00 C ATOM 587 OG SER A 47 -1.537 15.433 -2.858 1.00 0.00 O ATOM 0 H SER A 47 1.601 13.121 -1.969 1.00 0.00 H new ATOM 0 HA SER A 47 -0.368 13.511 -4.130 1.00 0.00 H new ATOM 0 HB2 SER A 47 -0.948 13.882 -1.641 1.00 0.00 H new ATOM 0 HB3 SER A 47 0.146 15.251 -1.688 1.00 0.00 H new ATOM 0 HG SER A 47 -1.162 16.001 -3.564 1.00 0.00 H new ATOM 593 N HIS A 48 2.422 14.548 -4.424 1.00 0.00 N ATOM 594 CA HIS A 48 3.361 15.430 -5.113 1.00 0.00 C ATOM 595 C HIS A 48 3.254 15.246 -6.629 1.00 0.00 C ATOM 596 O HIS A 48 2.795 16.143 -7.336 1.00 0.00 O ATOM 597 CB HIS A 48 4.809 15.194 -4.642 1.00 0.00 C ATOM 598 CG HIS A 48 4.979 14.042 -3.693 1.00 0.00 C ATOM 599 ND1 HIS A 48 4.271 13.926 -2.515 1.00 0.00 N ATOM 600 CD2 HIS A 48 5.784 12.954 -3.753 1.00 0.00 C ATOM 601 CE1 HIS A 48 4.632 12.815 -1.895 1.00 0.00 C ATOM 602 NE2 HIS A 48 5.548 12.207 -2.625 1.00 0.00 N ATOM 0 H HIS A 48 2.785 13.616 -4.222 1.00 0.00 H new ATOM 0 HA HIS A 48 3.095 16.457 -4.864 1.00 0.00 H new ATOM 0 HB2 HIS A 48 5.438 15.023 -5.516 1.00 0.00 H new ATOM 0 HB3 HIS A 48 5.173 16.101 -4.160 1.00 0.00 H new ATOM 0 HD2 HIS A 48 6.482 12.718 -4.542 1.00 0.00 H new ATOM 0 HE1 HIS A 48 4.243 12.464 -0.951 1.00 0.00 H new ATOM 0 HE2 HIS A 48 6.006 11.326 -2.390 1.00 0.00 H new ATOM 611 N PRO A 49 3.670 14.076 -7.152 1.00 0.00 N ATOM 612 CA PRO A 49 3.607 13.786 -8.590 1.00 0.00 C ATOM 613 C PRO A 49 2.173 13.643 -9.092 1.00 0.00 C ATOM 614 O PRO A 49 1.223 14.001 -8.395 1.00 0.00 O ATOM 615 CB PRO A 49 4.351 12.454 -8.712 1.00 0.00 C ATOM 616 CG PRO A 49 4.184 11.818 -7.377 1.00 0.00 C ATOM 617 CD PRO A 49 4.230 12.943 -6.391 1.00 0.00 C ATOM 0 HA PRO A 49 4.037 14.589 -9.188 1.00 0.00 H new ATOM 0 HB2 PRO A 49 3.930 11.834 -9.504 1.00 0.00 H new ATOM 0 HB3 PRO A 49 5.403 12.606 -8.952 1.00 0.00 H new ATOM 0 HG2 PRO A 49 3.239 11.279 -7.314 1.00 0.00 H new ATOM 0 HG3 PRO A 49 4.976 11.095 -7.185 1.00 0.00 H new ATOM 0 HD2 PRO A 49 3.640 12.724 -5.501 1.00 0.00 H new ATOM 0 HD3 PRO A 49 5.248 13.145 -6.057 1.00 0.00 H new ATOM 625 N ARG A 50 2.023 13.121 -10.306 1.00 0.00 N ATOM 626 CA ARG A 50 0.703 12.932 -10.901 1.00 0.00 C ATOM 627 C ARG A 50 0.346 11.450 -10.991 1.00 0.00 C ATOM 628 O ARG A 50 -0.662 11.011 -10.437 1.00 0.00 O ATOM 629 CB ARG A 50 0.655 13.564 -12.293 1.00 0.00 C ATOM 630 CG ARG A 50 -0.744 13.966 -12.731 1.00 0.00 C ATOM 631 CD ARG A 50 -0.731 14.628 -14.099 1.00 0.00 C ATOM 632 NE ARG A 50 -0.586 16.079 -14.004 1.00 0.00 N ATOM 633 CZ ARG A 50 -0.640 16.899 -15.050 1.00 0.00 C ATOM 634 NH1 ARG A 50 -0.834 16.416 -16.272 1.00 0.00 N ATOM 635 NH2 ARG A 50 -0.498 18.206 -14.876 1.00 0.00 N ATOM 0 H ARG A 50 2.799 12.821 -10.897 1.00 0.00 H new ATOM 0 HA ARG A 50 -0.028 13.422 -10.258 1.00 0.00 H new ATOM 0 HB2 ARG A 50 1.298 14.444 -12.305 1.00 0.00 H new ATOM 0 HB3 ARG A 50 1.065 12.860 -13.017 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -1.385 13.085 -12.758 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -1.173 14.650 -11.999 1.00 0.00 H new ATOM 0 HD2 ARG A 50 0.088 14.220 -14.691 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -1.655 14.390 -14.626 1.00 0.00 H new ATOM 0 HE ARG A 50 -0.434 16.487 -13.081 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -0.942 15.412 -16.412 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -0.875 17.050 -17.070 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -0.347 18.583 -13.940 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -0.539 18.835 -15.678 1.00 0.00 H new ATOM 649 N ARG A 51 1.176 10.686 -11.695 1.00 0.00 N ATOM 650 CA ARG A 51 0.946 9.254 -11.859 1.00 0.00 C ATOM 651 C ARG A 51 2.080 8.611 -12.652 1.00 0.00 C ATOM 652 O ARG A 51 2.228 8.852 -13.850 1.00 0.00 O ATOM 653 CB ARG A 51 -0.389 9.008 -12.564 1.00 0.00 C ATOM 654 CG ARG A 51 -0.429 9.528 -13.993 1.00 0.00 C ATOM 655 CD ARG A 51 -1.754 10.204 -14.306 1.00 0.00 C ATOM 656 NE ARG A 51 -1.574 11.416 -15.105 1.00 0.00 N ATOM 657 CZ ARG A 51 -1.101 11.420 -16.348 1.00 0.00 C ATOM 658 NH1 ARG A 51 -0.757 10.283 -16.939 1.00 0.00 N ATOM 659 NH2 ARG A 51 -0.972 12.566 -17.003 1.00 0.00 N ATOM 0 H ARG A 51 2.014 11.034 -12.161 1.00 0.00 H new ATOM 0 HA ARG A 51 0.914 8.799 -10.869 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -0.595 7.938 -12.570 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -1.186 9.483 -11.991 1.00 0.00 H new ATOM 0 HG2 ARG A 51 0.386 10.235 -14.146 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -0.269 8.702 -14.686 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -2.399 9.508 -14.843 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -2.262 10.455 -13.375 1.00 0.00 H new ATOM 0 HE ARG A 51 -1.826 12.310 -14.684 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -0.855 9.399 -16.440 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -0.395 10.293 -17.893 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -1.235 13.443 -16.553 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -0.609 12.571 -17.956 1.00 0.00 H new ATOM 673 N SER A 52 2.882 7.794 -11.974 1.00 0.00 N ATOM 674 CA SER A 52 4.008 7.117 -12.610 1.00 0.00 C ATOM 675 C SER A 52 5.100 8.121 -12.966 1.00 0.00 C ATOM 676 O SER A 52 5.791 7.975 -13.973 1.00 0.00 O ATOM 677 CB SER A 52 3.546 6.370 -13.865 1.00 0.00 C ATOM 678 OG SER A 52 3.707 4.970 -13.711 1.00 0.00 O ATOM 0 H SER A 52 2.772 7.585 -10.982 1.00 0.00 H new ATOM 0 HA SER A 52 4.416 6.392 -11.905 1.00 0.00 H new ATOM 0 HB2 SER A 52 2.499 6.600 -14.064 1.00 0.00 H new ATOM 0 HB3 SER A 52 4.117 6.713 -14.728 1.00 0.00 H new ATOM 0 HG SER A 52 3.404 4.514 -14.524 1.00 0.00 H new ATOM 684 N ARG A 53 5.241 9.141 -12.128 1.00 0.00 N ATOM 685 CA ARG A 53 6.241 10.179 -12.345 1.00 0.00 C ATOM 686 C ARG A 53 7.341 10.104 -11.291 1.00 0.00 C ATOM 687 O ARG A 53 8.525 10.228 -11.606 1.00 0.00 O ATOM 688 CB ARG A 53 5.578 11.555 -12.311 1.00 0.00 C ATOM 689 CG ARG A 53 6.462 12.670 -12.847 1.00 0.00 C ATOM 690 CD ARG A 53 5.694 13.594 -13.779 1.00 0.00 C ATOM 691 NE ARG A 53 6.454 14.799 -14.103 1.00 0.00 N ATOM 692 CZ ARG A 53 6.700 15.777 -13.235 1.00 0.00 C ATOM 693 NH1 ARG A 53 6.248 15.697 -11.989 1.00 0.00 N ATOM 694 NH2 ARG A 53 7.399 16.838 -13.613 1.00 0.00 N ATOM 0 H ARG A 53 4.674 9.271 -11.290 1.00 0.00 H new ATOM 0 HA ARG A 53 6.694 10.021 -13.324 1.00 0.00 H new ATOM 0 HB2 ARG A 53 4.658 11.520 -12.894 1.00 0.00 H new ATOM 0 HB3 ARG A 53 5.296 11.788 -11.284 1.00 0.00 H new ATOM 0 HG2 ARG A 53 6.867 13.246 -12.015 1.00 0.00 H new ATOM 0 HG3 ARG A 53 7.310 12.239 -13.379 1.00 0.00 H new ATOM 0 HD2 ARG A 53 5.450 13.061 -14.698 1.00 0.00 H new ATOM 0 HD3 ARG A 53 4.749 13.875 -13.313 1.00 0.00 H new ATOM 0 HE ARG A 53 6.818 14.896 -15.051 1.00 0.00 H new ATOM 0 HH11 ARG A 53 5.709 14.883 -11.693 1.00 0.00 H new ATOM 0 HH12 ARG A 53 6.440 16.450 -11.328 1.00 0.00 H new ATOM 0 HH21 ARG A 53 7.748 16.905 -14.569 1.00 0.00 H new ATOM 0 HH22 ARG A 53 7.588 17.588 -12.948 1.00 0.00 H new ATOM 708 N ARG A 54 6.942 9.901 -10.041 1.00 0.00 N ATOM 709 CA ARG A 54 7.893 9.810 -8.939 1.00 0.00 C ATOM 710 C ARG A 54 7.727 8.495 -8.184 1.00 0.00 C ATOM 711 O ARG A 54 6.814 8.345 -7.372 1.00 0.00 O ATOM 712 CB ARG A 54 7.712 10.989 -7.982 1.00 0.00 C ATOM 713 CG ARG A 54 8.702 12.119 -8.213 1.00 0.00 C ATOM 714 CD ARG A 54 8.092 13.470 -7.873 1.00 0.00 C ATOM 715 NE ARG A 54 8.908 14.578 -8.362 1.00 0.00 N ATOM 716 CZ ARG A 54 9.999 15.027 -7.745 1.00 0.00 C ATOM 717 NH1 ARG A 54 10.409 14.464 -6.615 1.00 0.00 N ATOM 718 NH2 ARG A 54 10.682 16.041 -8.258 1.00 0.00 N ATOM 0 H ARG A 54 5.966 9.796 -9.765 1.00 0.00 H new ATOM 0 HA ARG A 54 8.899 9.843 -9.357 1.00 0.00 H new ATOM 0 HB2 ARG A 54 6.699 11.378 -8.086 1.00 0.00 H new ATOM 0 HB3 ARG A 54 7.813 10.633 -6.957 1.00 0.00 H new ATOM 0 HG2 ARG A 54 9.591 11.956 -7.604 1.00 0.00 H new ATOM 0 HG3 ARG A 54 9.024 12.115 -9.254 1.00 0.00 H new ATOM 0 HD2 ARG A 54 7.094 13.536 -8.306 1.00 0.00 H new ATOM 0 HD3 ARG A 54 7.977 13.554 -6.792 1.00 0.00 H new ATOM 0 HE ARG A 54 8.625 15.036 -9.229 1.00 0.00 H new ATOM 0 HH11 ARG A 54 9.888 13.684 -6.216 1.00 0.00 H new ATOM 0 HH12 ARG A 54 11.245 14.812 -6.146 1.00 0.00 H new ATOM 0 HH21 ARG A 54 10.372 16.478 -9.126 1.00 0.00 H new ATOM 0 HH22 ARG A 54 11.518 16.384 -7.785 1.00 0.00 H new ATOM 732 N SER A 55 8.615 7.546 -8.459 1.00 0.00 N ATOM 733 CA SER A 55 8.570 6.244 -7.807 1.00 0.00 C ATOM 734 C SER A 55 8.800 6.377 -6.305 1.00 0.00 C ATOM 735 O SER A 55 9.739 7.043 -5.869 1.00 0.00 O ATOM 736 CB SER A 55 9.621 5.312 -8.415 1.00 0.00 C ATOM 737 OG SER A 55 9.016 4.173 -8.999 1.00 0.00 O ATOM 0 H SER A 55 9.375 7.655 -9.130 1.00 0.00 H new ATOM 0 HA SER A 55 7.579 5.819 -7.967 1.00 0.00 H new ATOM 0 HB2 SER A 55 10.195 5.850 -9.170 1.00 0.00 H new ATOM 0 HB3 SER A 55 10.324 4.999 -7.643 1.00 0.00 H new ATOM 0 HG SER A 55 9.709 3.595 -9.382 1.00 0.00 H new ATOM 743 N ALA A 56 7.942 5.735 -5.519 1.00 0.00 N ATOM 744 CA ALA A 56 8.061 5.777 -4.068 1.00 0.00 C ATOM 745 C ALA A 56 9.399 5.188 -3.626 1.00 0.00 C ATOM 746 O ALA A 56 10.353 5.159 -4.402 1.00 0.00 O ATOM 747 CB ALA A 56 6.896 5.040 -3.422 1.00 0.00 C ATOM 0 H ALA A 56 7.158 5.180 -5.863 1.00 0.00 H new ATOM 0 HA ALA A 56 8.027 6.816 -3.741 1.00 0.00 H new ATOM 0 HB1 ALA A 56 6.997 5.079 -2.337 1.00 0.00 H new ATOM 0 HB2 ALA A 56 5.959 5.512 -3.716 1.00 0.00 H new ATOM 0 HB3 ALA A 56 6.897 4.000 -3.749 1.00 0.00 H new ATOM 753 N LEU A 57 9.480 4.725 -2.380 1.00 0.00 N ATOM 754 CA LEU A 57 10.723 4.156 -1.876 1.00 0.00 C ATOM 755 C LEU A 57 10.496 3.296 -0.633 1.00 0.00 C ATOM 756 O LEU A 57 10.683 2.080 -0.668 1.00 0.00 O ATOM 757 CB LEU A 57 11.706 5.274 -1.551 1.00 0.00 C ATOM 758 CG LEU A 57 11.085 6.470 -0.833 1.00 0.00 C ATOM 759 CD1 LEU A 57 11.680 6.620 0.558 1.00 0.00 C ATOM 760 CD2 LEU A 57 11.267 7.733 -1.649 1.00 0.00 C ATOM 0 H LEU A 57 8.710 4.733 -1.711 1.00 0.00 H new ATOM 0 HA LEU A 57 11.131 3.513 -2.656 1.00 0.00 H new ATOM 0 HB2 LEU A 57 12.506 4.869 -0.932 1.00 0.00 H new ATOM 0 HB3 LEU A 57 12.164 5.620 -2.478 1.00 0.00 H new ATOM 0 HG LEU A 57 10.015 6.296 -0.723 1.00 0.00 H new ATOM 0 HD11 LEU A 57 11.227 7.477 1.057 1.00 0.00 H new ATOM 0 HD12 LEU A 57 11.484 5.718 1.137 1.00 0.00 H new ATOM 0 HD13 LEU A 57 12.756 6.773 0.479 1.00 0.00 H new ATOM 0 HD21 LEU A 57 10.818 8.575 -1.122 1.00 0.00 H new ATOM 0 HD22 LEU A 57 12.331 7.922 -1.795 1.00 0.00 H new ATOM 0 HD23 LEU A 57 10.783 7.613 -2.618 1.00 0.00 H new ATOM 766 N HIS A 58 10.107 3.935 0.466 1.00 0.00 N ATOM 767 CA HIS A 58 9.871 3.229 1.718 1.00 0.00 C ATOM 768 C HIS A 58 8.695 2.269 1.599 1.00 0.00 C ATOM 769 O HIS A 58 8.520 1.389 2.439 1.00 0.00 O ATOM 770 CB HIS A 58 9.634 4.215 2.872 1.00 0.00 C ATOM 771 CG HIS A 58 8.921 5.473 2.478 1.00 0.00 C ATOM 772 ND1 HIS A 58 8.019 5.538 1.436 1.00 0.00 N ATOM 773 CD2 HIS A 58 8.982 6.723 2.996 1.00 0.00 C ATOM 774 CE1 HIS A 58 7.560 6.772 1.329 1.00 0.00 C ATOM 775 NE2 HIS A 58 8.128 7.510 2.264 1.00 0.00 N ATOM 0 H HIS A 58 9.949 4.942 0.514 1.00 0.00 H new ATOM 0 HA HIS A 58 10.767 2.648 1.937 1.00 0.00 H new ATOM 0 HB2 HIS A 58 9.057 3.713 3.649 1.00 0.00 H new ATOM 0 HB3 HIS A 58 10.596 4.480 3.310 1.00 0.00 H new ATOM 0 HD2 HIS A 58 9.590 7.041 3.830 1.00 0.00 H new ATOM 0 HE1 HIS A 58 6.842 7.118 0.600 1.00 0.00 H new ATOM 0 HE2 HIS A 58 7.960 8.504 2.418 1.00 0.00 H new ATOM 784 N ILE A 59 7.893 2.426 0.552 1.00 0.00 N ATOM 785 CA ILE A 59 6.753 1.548 0.352 1.00 0.00 C ATOM 786 C ILE A 59 7.147 0.320 -0.469 1.00 0.00 C ATOM 787 O ILE A 59 6.304 -0.504 -0.821 1.00 0.00 O ATOM 788 CB ILE A 59 5.559 2.303 -0.291 1.00 0.00 C ATOM 789 CG1 ILE A 59 4.309 2.147 0.575 1.00 0.00 C ATOM 790 CG2 ILE A 59 5.267 1.832 -1.707 1.00 0.00 C ATOM 791 CD1 ILE A 59 3.759 0.739 0.579 1.00 0.00 C ATOM 0 H ILE A 59 8.011 3.145 -0.162 1.00 0.00 H new ATOM 0 HA ILE A 59 6.424 1.202 1.332 1.00 0.00 H new ATOM 0 HB ILE A 59 5.840 3.354 -0.349 1.00 0.00 H new ATOM 0 HG12 ILE A 59 4.545 2.441 1.598 1.00 0.00 H new ATOM 0 HG13 ILE A 59 3.539 2.830 0.216 1.00 0.00 H new ATOM 0 HG21 ILE A 59 4.423 2.392 -2.110 1.00 0.00 H new ATOM 0 HG22 ILE A 59 6.144 1.996 -2.333 1.00 0.00 H new ATOM 0 HG23 ILE A 59 5.024 0.769 -1.694 1.00 0.00 H new ATOM 0 HD11 ILE A 59 2.873 0.696 1.212 1.00 0.00 H new ATOM 0 HD12 ILE A 59 3.493 0.449 -0.438 1.00 0.00 H new ATOM 0 HD13 ILE A 59 4.514 0.054 0.965 1.00 0.00 H new ATOM 795 N THR A 60 8.441 0.191 -0.753 1.00 0.00 N ATOM 796 CA THR A 60 8.935 -0.952 -1.510 1.00 0.00 C ATOM 797 C THR A 60 9.756 -1.872 -0.610 1.00 0.00 C ATOM 798 O THR A 60 10.713 -2.505 -1.056 1.00 0.00 O ATOM 799 CB THR A 60 9.768 -0.484 -2.707 1.00 0.00 C ATOM 800 OG1 THR A 60 9.915 -1.528 -3.649 1.00 0.00 O ATOM 801 CG2 THR A 60 11.155 -0.002 -2.333 1.00 0.00 C ATOM 0 H THR A 60 9.159 0.859 -0.472 1.00 0.00 H new ATOM 0 HA THR A 60 8.080 -1.513 -1.887 1.00 0.00 H new ATOM 0 HB THR A 60 9.217 0.357 -3.127 1.00 0.00 H new ATOM 0 HG1 THR A 60 10.268 -2.325 -3.201 1.00 0.00 H new ATOM 0 HG21 THR A 60 11.685 0.313 -3.232 1.00 0.00 H new ATOM 0 HG22 THR A 60 11.075 0.840 -1.645 1.00 0.00 H new ATOM 0 HG23 THR A 60 11.704 -0.812 -1.853 1.00 0.00 H new ATOM 806 N LYS A 61 9.372 -1.935 0.663 1.00 0.00 N ATOM 807 CA LYS A 61 10.067 -2.772 1.638 1.00 0.00 C ATOM 808 C LYS A 61 9.076 -3.545 2.500 1.00 0.00 C ATOM 809 O LYS A 61 9.031 -4.773 2.462 1.00 0.00 O ATOM 810 CB LYS A 61 10.987 -1.927 2.536 1.00 0.00 C ATOM 811 CG LYS A 61 10.555 -0.471 2.697 1.00 0.00 C ATOM 812 CD LYS A 61 9.980 -0.196 4.083 1.00 0.00 C ATOM 813 CE LYS A 61 10.495 1.117 4.654 1.00 0.00 C ATOM 814 NZ LYS A 61 11.455 0.900 5.771 1.00 0.00 N ATOM 0 H LYS A 61 8.581 -1.415 1.044 1.00 0.00 H new ATOM 0 HA LYS A 61 10.677 -3.483 1.081 1.00 0.00 H new ATOM 0 HB2 LYS A 61 11.035 -2.389 3.522 1.00 0.00 H new ATOM 0 HB3 LYS A 61 11.996 -1.950 2.124 1.00 0.00 H new ATOM 0 HG2 LYS A 61 11.410 0.182 2.523 1.00 0.00 H new ATOM 0 HG3 LYS A 61 9.809 -0.228 1.940 1.00 0.00 H new ATOM 0 HD2 LYS A 61 8.892 -0.167 4.027 1.00 0.00 H new ATOM 0 HD3 LYS A 61 10.242 -1.013 4.755 1.00 0.00 H new ATOM 0 HE2 LYS A 61 10.981 1.690 3.864 1.00 0.00 H new ATOM 0 HE3 LYS A 61 9.654 1.713 5.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 11.782 1.819 6.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 10.985 0.375 6.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 12.270 0.354 5.427 1.00 0.00 H new ATOM 828 N ARG A 62 8.285 -2.817 3.279 1.00 0.00 N ATOM 829 CA ARG A 62 7.295 -3.433 4.155 1.00 0.00 C ATOM 830 C ARG A 62 6.039 -3.826 3.384 1.00 0.00 C ATOM 831 O ARG A 62 5.139 -4.460 3.934 1.00 0.00 O ATOM 832 CB ARG A 62 6.926 -2.474 5.285 1.00 0.00 C ATOM 833 CG ARG A 62 6.286 -3.159 6.481 1.00 0.00 C ATOM 834 CD ARG A 62 7.319 -3.527 7.534 1.00 0.00 C ATOM 835 NE ARG A 62 6.706 -3.789 8.834 1.00 0.00 N ATOM 836 CZ ARG A 62 7.393 -4.126 9.923 1.00 0.00 C ATOM 837 NH1 ARG A 62 8.715 -4.242 9.873 1.00 0.00 N ATOM 838 NH2 ARG A 62 6.758 -4.345 11.066 1.00 0.00 N ATOM 0 H ARG A 62 8.310 -1.798 3.322 1.00 0.00 H new ATOM 0 HA ARG A 62 7.736 -4.338 4.573 1.00 0.00 H new ATOM 0 HB2 ARG A 62 7.824 -1.951 5.614 1.00 0.00 H new ATOM 0 HB3 ARG A 62 6.241 -1.719 4.900 1.00 0.00 H new ATOM 0 HG2 ARG A 62 5.537 -2.500 6.920 1.00 0.00 H new ATOM 0 HG3 ARG A 62 5.766 -4.058 6.151 1.00 0.00 H new ATOM 0 HD2 ARG A 62 7.870 -4.409 7.209 1.00 0.00 H new ATOM 0 HD3 ARG A 62 8.042 -2.717 7.631 1.00 0.00 H new ATOM 0 HE ARG A 62 5.692 -3.709 8.912 1.00 0.00 H new ATOM 0 HH11 ARG A 62 9.209 -4.073 8.997 1.00 0.00 H new ATOM 0 HH12 ARG A 62 9.236 -4.501 10.711 1.00 0.00 H new ATOM 0 HH21 ARG A 62 5.743 -4.255 11.111 1.00 0.00 H new ATOM 0 HH22 ARG A 62 7.285 -4.603 11.901 1.00 0.00 H new ATOM 852 N LEU A 63 5.978 -3.452 2.110 1.00 0.00 N ATOM 853 CA LEU A 63 4.828 -3.775 1.280 1.00 0.00 C ATOM 854 C LEU A 63 4.897 -5.224 0.833 1.00 0.00 C ATOM 855 O LEU A 63 4.059 -6.042 1.214 1.00 0.00 O ATOM 856 CB LEU A 63 4.776 -2.832 0.065 1.00 0.00 C ATOM 857 CG LEU A 63 3.473 -2.830 -0.746 1.00 0.00 C ATOM 858 CD1 LEU A 63 3.025 -4.247 -1.071 1.00 0.00 C ATOM 859 CD2 LEU A 63 2.381 -2.068 -0.007 1.00 0.00 C ATOM 0 H LEU A 63 6.710 -2.926 1.633 1.00 0.00 H new ATOM 0 HA LEU A 63 3.917 -3.639 1.863 1.00 0.00 H new ATOM 0 HB2 LEU A 63 4.962 -1.816 0.414 1.00 0.00 H new ATOM 0 HB3 LEU A 63 5.595 -3.094 -0.605 1.00 0.00 H new ATOM 0 HG LEU A 63 3.665 -2.320 -1.690 1.00 0.00 H new ATOM 0 HD11 LEU A 63 2.100 -4.213 -1.646 1.00 0.00 H new ATOM 0 HD12 LEU A 63 3.797 -4.748 -1.655 1.00 0.00 H new ATOM 0 HD13 LEU A 63 2.857 -4.797 -0.145 1.00 0.00 H new ATOM 0 HD21 LEU A 63 1.466 -2.078 -0.599 1.00 0.00 H new ATOM 0 HD22 LEU A 63 2.195 -2.542 0.957 1.00 0.00 H new ATOM 0 HD23 LEU A 63 2.699 -1.038 0.151 1.00 0.00 H new ATOM 865 N SER A 64 5.902 -5.543 0.030 1.00 0.00 N ATOM 866 CA SER A 64 6.066 -6.906 -0.450 1.00 0.00 C ATOM 867 C SER A 64 6.455 -7.814 0.708 1.00 0.00 C ATOM 868 O SER A 64 6.036 -8.973 0.780 1.00 0.00 O ATOM 869 CB SER A 64 7.112 -6.970 -1.563 1.00 0.00 C ATOM 870 OG SER A 64 8.419 -7.123 -1.035 1.00 0.00 O ATOM 0 H SER A 64 6.608 -4.885 -0.299 1.00 0.00 H new ATOM 0 HA SER A 64 5.118 -7.248 -0.866 1.00 0.00 H new ATOM 0 HB2 SER A 64 6.887 -7.803 -2.229 1.00 0.00 H new ATOM 0 HB3 SER A 64 7.064 -6.061 -2.163 1.00 0.00 H new ATOM 0 HG SER A 64 9.066 -7.163 -1.770 1.00 0.00 H new ATOM 876 N ASP A 65 7.242 -7.268 1.632 1.00 0.00 N ATOM 877 CA ASP A 65 7.667 -8.020 2.803 1.00 0.00 C ATOM 878 C ASP A 65 6.451 -8.474 3.597 1.00 0.00 C ATOM 879 O ASP A 65 6.347 -9.640 3.978 1.00 0.00 O ATOM 880 CB ASP A 65 8.585 -7.168 3.685 1.00 0.00 C ATOM 881 CG ASP A 65 9.074 -7.917 4.910 1.00 0.00 C ATOM 882 OD1 ASP A 65 8.679 -9.090 5.088 1.00 0.00 O ATOM 883 OD2 ASP A 65 9.852 -7.331 5.692 1.00 0.00 O ATOM 0 H ASP A 65 7.595 -6.312 1.590 1.00 0.00 H new ATOM 0 HA ASP A 65 8.224 -8.897 2.472 1.00 0.00 H new ATOM 0 HB2 ASP A 65 9.443 -6.838 3.099 1.00 0.00 H new ATOM 0 HB3 ASP A 65 8.051 -6.272 4.001 1.00 0.00 H new ATOM 888 N ASP A 66 5.520 -7.550 3.827 1.00 0.00 N ATOM 889 CA ASP A 66 4.302 -7.877 4.556 1.00 0.00 C ATOM 890 C ASP A 66 3.285 -8.536 3.628 1.00 0.00 C ATOM 891 O ASP A 66 2.383 -9.237 4.078 1.00 0.00 O ATOM 892 CB ASP A 66 3.701 -6.624 5.192 1.00 0.00 C ATOM 893 CG ASP A 66 2.928 -6.937 6.459 1.00 0.00 C ATOM 894 OD1 ASP A 66 1.737 -7.298 6.354 1.00 0.00 O ATOM 895 OD2 ASP A 66 3.513 -6.821 7.556 1.00 0.00 O ATOM 0 H ASP A 66 5.586 -6.579 3.522 1.00 0.00 H new ATOM 0 HA ASP A 66 4.558 -8.579 5.349 1.00 0.00 H new ATOM 0 HB2 ASP A 66 4.498 -5.917 5.421 1.00 0.00 H new ATOM 0 HB3 ASP A 66 3.039 -6.137 4.476 1.00 0.00 H new ATOM 900 N ASP A 67 3.446 -8.301 2.328 1.00 0.00 N ATOM 901 CA ASP A 67 2.556 -8.857 1.316 1.00 0.00 C ATOM 902 C ASP A 67 2.486 -10.379 1.404 1.00 0.00 C ATOM 903 O ASP A 67 1.564 -10.995 0.868 1.00 0.00 O ATOM 904 CB ASP A 67 3.035 -8.435 -0.076 1.00 0.00 C ATOM 905 CG ASP A 67 2.514 -9.336 -1.183 1.00 0.00 C ATOM 906 OD1 ASP A 67 1.313 -9.672 -1.157 1.00 0.00 O ATOM 907 OD2 ASP A 67 3.309 -9.704 -2.073 1.00 0.00 O ATOM 0 H ASP A 67 4.195 -7.722 1.949 1.00 0.00 H new ATOM 0 HA ASP A 67 1.554 -8.468 1.496 1.00 0.00 H new ATOM 0 HB2 ASP A 67 2.716 -7.411 -0.269 1.00 0.00 H new ATOM 0 HB3 ASP A 67 4.125 -8.438 -0.095 1.00 0.00 H new ATOM 912 N ARG A 68 3.460 -10.985 2.075 1.00 0.00 N ATOM 913 CA ARG A 68 3.500 -12.438 2.221 1.00 0.00 C ATOM 914 C ARG A 68 2.131 -12.987 2.601 1.00 0.00 C ATOM 915 O ARG A 68 1.807 -14.136 2.301 1.00 0.00 O ATOM 916 CB ARG A 68 4.541 -12.843 3.266 1.00 0.00 C ATOM 917 CG ARG A 68 5.899 -13.181 2.670 1.00 0.00 C ATOM 918 CD ARG A 68 7.030 -12.800 3.610 1.00 0.00 C ATOM 919 NE ARG A 68 7.227 -13.797 4.660 1.00 0.00 N ATOM 920 CZ ARG A 68 8.342 -13.907 5.378 1.00 0.00 C ATOM 921 NH1 ARG A 68 9.363 -13.086 5.164 1.00 0.00 N ATOM 922 NH2 ARG A 68 8.438 -14.842 6.313 1.00 0.00 N ATOM 0 H ARG A 68 4.232 -10.494 2.526 1.00 0.00 H new ATOM 0 HA ARG A 68 3.784 -12.865 1.259 1.00 0.00 H new ATOM 0 HB2 ARG A 68 4.660 -12.031 3.983 1.00 0.00 H new ATOM 0 HB3 ARG A 68 4.171 -13.706 3.820 1.00 0.00 H new ATOM 0 HG2 ARG A 68 5.947 -14.248 2.455 1.00 0.00 H new ATOM 0 HG3 ARG A 68 6.021 -12.658 1.721 1.00 0.00 H new ATOM 0 HD2 ARG A 68 7.952 -12.686 3.040 1.00 0.00 H new ATOM 0 HD3 ARG A 68 6.814 -11.833 4.064 1.00 0.00 H new ATOM 0 HE ARG A 68 6.465 -14.447 4.854 1.00 0.00 H new ATOM 0 HH11 ARG A 68 9.296 -12.365 4.445 1.00 0.00 H new ATOM 0 HH12 ARG A 68 10.215 -13.176 5.718 1.00 0.00 H new ATOM 0 HH21 ARG A 68 7.657 -15.477 6.482 1.00 0.00 H new ATOM 0 HH22 ARG A 68 9.292 -14.927 6.864 1.00 0.00 H new ATOM 936 N VAL A 69 1.329 -12.151 3.250 1.00 0.00 N ATOM 937 CA VAL A 69 -0.015 -12.533 3.662 1.00 0.00 C ATOM 938 C VAL A 69 -0.746 -13.289 2.564 1.00 0.00 C ATOM 939 O VAL A 69 -1.214 -14.408 2.767 1.00 0.00 O ATOM 940 CB VAL A 69 -0.868 -11.306 4.033 1.00 0.00 C ATOM 941 CG1 VAL A 69 -0.963 -11.178 5.546 1.00 0.00 C ATOM 942 CG2 VAL A 69 -0.320 -10.027 3.409 1.00 0.00 C ATOM 0 H VAL A 69 1.589 -11.198 3.503 1.00 0.00 H new ATOM 0 HA VAL A 69 0.113 -13.174 4.534 1.00 0.00 H new ATOM 0 HB VAL A 69 -1.869 -11.454 3.628 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -1.568 -10.308 5.800 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -1.426 -12.075 5.959 1.00 0.00 H new ATOM 0 HG13 VAL A 69 0.036 -11.060 5.965 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -0.950 -9.184 3.694 1.00 0.00 H new ATOM 0 HG22 VAL A 69 0.697 -9.856 3.762 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -0.315 -10.125 2.323 1.00 0.00 H new ATOM 946 N THR A 70 -0.846 -12.658 1.405 1.00 0.00 N ATOM 947 CA THR A 70 -1.529 -13.255 0.276 1.00 0.00 C ATOM 948 C THR A 70 -1.018 -12.670 -1.033 1.00 0.00 C ATOM 949 O THR A 70 -0.220 -13.297 -1.730 1.00 0.00 O ATOM 950 CB THR A 70 -3.033 -13.050 0.398 1.00 0.00 C ATOM 951 OG1 THR A 70 -3.518 -13.605 1.608 1.00 0.00 O ATOM 952 CG2 THR A 70 -3.819 -13.664 -0.740 1.00 0.00 C ATOM 0 H THR A 70 -0.461 -11.731 1.224 1.00 0.00 H new ATOM 0 HA THR A 70 -1.322 -14.325 0.276 1.00 0.00 H new ATOM 0 HB THR A 70 -3.179 -11.970 0.373 1.00 0.00 H new ATOM 0 HG1 THR A 70 -4.379 -14.043 1.445 1.00 0.00 H new ATOM 0 HG21 THR A 70 -4.883 -13.480 -0.589 1.00 0.00 H new ATOM 0 HG22 THR A 70 -3.504 -13.217 -1.683 1.00 0.00 H new ATOM 0 HG23 THR A 70 -3.637 -14.738 -0.770 1.00 0.00 H new ATOM 957 N TRP A 71 -1.463 -11.460 -1.359 1.00 0.00 N ATOM 958 CA TRP A 71 -1.017 -10.802 -2.583 1.00 0.00 C ATOM 959 C TRP A 71 -1.030 -9.296 -2.446 1.00 0.00 C ATOM 960 O TRP A 71 -1.887 -8.717 -1.776 1.00 0.00 O ATOM 961 CB TRP A 71 -1.859 -11.220 -3.786 1.00 0.00 C ATOM 962 CG TRP A 71 -3.248 -10.675 -3.752 1.00 0.00 C ATOM 963 CD1 TRP A 71 -4.343 -11.310 -3.270 1.00 0.00 C ATOM 964 CD2 TRP A 71 -3.690 -9.389 -4.205 1.00 0.00 C ATOM 965 NE1 TRP A 71 -5.451 -10.511 -3.400 1.00 0.00 N ATOM 966 CE2 TRP A 71 -5.076 -9.323 -3.970 1.00 0.00 C ATOM 967 CE3 TRP A 71 -3.052 -8.288 -4.786 1.00 0.00 C ATOM 968 CZ2 TRP A 71 -5.835 -8.202 -4.296 1.00 0.00 C ATOM 969 CZ3 TRP A 71 -3.809 -7.174 -5.108 1.00 0.00 C ATOM 970 CH2 TRP A 71 -5.187 -7.140 -4.861 1.00 0.00 C ATOM 0 H TRP A 71 -2.124 -10.920 -0.800 1.00 0.00 H new ATOM 0 HA TRP A 71 0.011 -11.124 -2.751 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -1.367 -10.885 -4.699 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -1.904 -12.308 -3.829 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -4.344 -12.303 -2.844 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -6.399 -10.761 -3.118 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -1.990 -8.306 -4.980 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -6.898 -8.173 -4.109 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -3.329 -6.317 -5.557 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -5.749 -6.256 -5.123 1.00 0.00 H new ATOM 981 N ALA A 72 -0.058 -8.681 -3.095 1.00 0.00 N ATOM 982 CA ALA A 72 0.093 -7.241 -3.069 1.00 0.00 C ATOM 983 C ALA A 72 0.479 -6.700 -4.439 1.00 0.00 C ATOM 984 O ALA A 72 1.516 -7.063 -4.994 1.00 0.00 O ATOM 985 CB ALA A 72 1.135 -6.869 -2.031 1.00 0.00 C ATOM 0 H ALA A 72 0.646 -9.165 -3.652 1.00 0.00 H new ATOM 0 HA ALA A 72 -0.863 -6.791 -2.802 1.00 0.00 H new ATOM 0 HB1 ALA A 72 1.254 -5.786 -2.006 1.00 0.00 H new ATOM 0 HB2 ALA A 72 0.814 -7.221 -1.051 1.00 0.00 H new ATOM 0 HB3 ALA A 72 2.087 -7.332 -2.289 1.00 0.00 H new ATOM 991 N GLU A 73 -0.364 -5.827 -4.979 1.00 0.00 N ATOM 992 CA GLU A 73 -0.114 -5.230 -6.285 1.00 0.00 C ATOM 993 C GLU A 73 -0.297 -3.718 -6.229 1.00 0.00 C ATOM 994 O GLU A 73 -1.160 -3.213 -5.513 1.00 0.00 O ATOM 995 CB GLU A 73 -1.046 -5.829 -7.337 1.00 0.00 C ATOM 996 CG GLU A 73 -0.826 -5.266 -8.732 1.00 0.00 C ATOM 997 CD GLU A 73 -0.257 -6.291 -9.693 1.00 0.00 C ATOM 998 OE1 GLU A 73 -0.906 -7.339 -9.896 1.00 0.00 O ATOM 999 OE2 GLU A 73 0.837 -6.045 -10.244 1.00 0.00 O ATOM 0 H GLU A 73 -1.227 -5.517 -4.532 1.00 0.00 H new ATOM 0 HA GLU A 73 0.917 -5.448 -6.564 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -0.905 -6.909 -7.363 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -2.079 -5.650 -7.040 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -1.773 -4.894 -9.123 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -0.149 -4.414 -8.673 1.00 0.00 H new ATOM 1006 N GLN A 74 0.524 -3.003 -6.988 1.00 0.00 N ATOM 1007 CA GLN A 74 0.461 -1.549 -7.022 1.00 0.00 C ATOM 1008 C GLN A 74 -0.044 -1.050 -8.372 1.00 0.00 C ATOM 1009 O GLN A 74 0.095 -1.731 -9.389 1.00 0.00 O ATOM 1010 CB GLN A 74 1.841 -0.963 -6.726 1.00 0.00 C ATOM 1011 CG GLN A 74 2.833 -1.119 -7.870 1.00 0.00 C ATOM 1012 CD GLN A 74 4.213 -1.528 -7.394 1.00 0.00 C ATOM 1013 OE1 GLN A 74 4.829 -2.437 -7.953 1.00 0.00 O ATOM 1014 NE2 GLN A 74 4.705 -0.860 -6.358 1.00 0.00 N ATOM 0 H GLN A 74 1.242 -3.408 -7.589 1.00 0.00 H new ATOM 0 HA GLN A 74 -0.243 -1.219 -6.258 1.00 0.00 H new ATOM 0 HB2 GLN A 74 1.733 0.096 -6.493 1.00 0.00 H new ATOM 0 HB3 GLN A 74 2.247 -1.445 -5.837 1.00 0.00 H new ATOM 0 HG2 GLN A 74 2.459 -1.865 -8.571 1.00 0.00 H new ATOM 0 HG3 GLN A 74 2.905 -0.177 -8.414 1.00 0.00 H new ATOM 0 HE21 GLN A 74 4.159 -0.114 -5.926 1.00 0.00 H new ATOM 0 HE22 GLN A 74 5.629 -1.092 -5.994 1.00 0.00 H new ATOM 1021 N GLN A 75 -0.625 0.146 -8.378 1.00 0.00 N ATOM 1022 CA GLN A 75 -1.143 0.738 -9.604 1.00 0.00 C ATOM 1023 C GLN A 75 -0.899 2.242 -9.613 1.00 0.00 C ATOM 1024 O GLN A 75 -1.329 2.952 -8.706 1.00 0.00 O ATOM 1025 CB GLN A 75 -2.639 0.449 -9.744 1.00 0.00 C ATOM 1026 CG GLN A 75 -2.955 -1.017 -9.996 1.00 0.00 C ATOM 1027 CD GLN A 75 -4.228 -1.465 -9.306 1.00 0.00 C ATOM 1028 OE1 GLN A 75 -5.133 -0.667 -9.066 1.00 0.00 O ATOM 1029 NE2 GLN A 75 -4.303 -2.752 -8.981 1.00 0.00 N ATOM 0 H GLN A 75 -0.748 0.723 -7.546 1.00 0.00 H new ATOM 0 HA GLN A 75 -0.618 0.293 -10.449 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -3.149 0.771 -8.836 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -3.040 1.045 -10.564 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -3.049 -1.186 -11.069 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -2.123 -1.629 -9.649 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -3.529 -3.379 -9.199 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -5.135 -3.112 -8.514 1.00 0.00 H new ATOM 1036 N TYR A 76 -0.199 2.719 -10.637 1.00 0.00 N ATOM 1037 CA TYR A 76 0.108 4.139 -10.760 1.00 0.00 C ATOM 1038 C TYR A 76 0.100 4.575 -12.221 1.00 0.00 C ATOM 1039 O TYR A 76 -0.539 5.565 -12.571 1.00 99.99 O ATOM 1040 CB TYR A 76 1.468 4.435 -10.136 1.00 0.00 C ATOM 1041 CG TYR A 76 1.651 3.829 -8.762 1.00 0.00 C ATOM 1042 CD1 TYR A 76 1.001 4.359 -7.656 1.00 0.00 C ATOM 1043 CD2 TYR A 76 2.474 2.728 -8.571 1.00 0.00 C ATOM 1044 CE1 TYR A 76 1.166 3.811 -6.399 1.00 0.00 C ATOM 1045 CE2 TYR A 76 2.646 2.174 -7.318 1.00 0.00 C ATOM 1046 CZ TYR A 76 1.990 2.718 -6.235 1.00 0.00 C ATOM 1047 OH TYR A 76 2.159 2.169 -4.985 1.00 0.00 O ATOM 0 H TYR A 76 0.167 2.142 -11.394 1.00 0.00 H new ATOM 0 HA TYR A 76 -0.661 4.701 -10.231 1.00 0.00 H new ATOM 0 HB2 TYR A 76 2.250 4.060 -10.796 1.00 0.00 H new ATOM 0 HB3 TYR A 76 1.599 5.515 -10.068 1.00 0.00 H new ATOM 0 HD1 TYR A 76 0.355 5.215 -7.781 1.00 0.00 H new ATOM 0 HD2 TYR A 76 2.989 2.297 -9.417 1.00 0.00 H new ATOM 0 HE1 TYR A 76 0.652 4.236 -5.549 1.00 0.00 H new ATOM 0 HE2 TYR A 76 3.292 1.318 -7.187 1.00 0.00 H new ATOM 0 HH TYR A 76 2.770 1.405 -5.043 1.00 0.00 H new