USER MOD reduce.3.24.130724 H: found=0, std=0, add=840, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 840 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 118 SER OG : rot 41:sc= 1.94 USER MOD Set 1.2: A 120 TYR OH : rot 81:sc= 0.00148 USER MOD Set 2.1: A 88 ASN : amide:sc= -3.07! C(o=-3.3!,f=-7.3!) USER MOD Set 2.2: A 89 SER OG : rot 180:sc= -0.252 USER MOD Set 3.1: A 60 THR OG1 : rot 90:sc= -1.28 USER MOD Set 3.2: A 67 ASN : amide:sc= -5.4 K(o=-6.7,f=-9.4!) USER MOD Single : A 18 GLN : amide:sc= -0.154 X(o=-0.15,f=-0.036) USER MOD Single : A 23 TYR OH : rot 180:sc= -2.72! USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -0.31 K(o=-0.31,f=-1.7) USER MOD Single : A 35 LYS NZ :NH3+ -173:sc=-0.00694 (180deg=-0.0943) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot -110:sc= -1.96! USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 54 HIS : no HD1:sc= 0 X(o=0,f=-0.058) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 37:sc= 0.0597 USER MOD Single : A 63 LYS NZ :NH3+ -160:sc=-0.00756 (180deg=-0.425) USER MOD Single : A 66 ASN :FLIP amide:sc= -0.449 F(o=-2.9!,f=-0.45) USER MOD Single : A 68 LYS NZ :NH3+ -151:sc= -0.0459 (180deg=-0.599) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 HIS : no HE2:sc= -8.12! C(o=-8.1!,f=-13!) USER MOD Single : A 78 LYS NZ :NH3+ 159:sc= 0 (180deg=-0.17) USER MOD Single : A 79 TYR OH : rot -102:sc= 0.0648 USER MOD Single : A 82 SER OG : rot 122:sc= 0.122 USER MOD Single : A 86 THR OG1 : rot 47:sc= 0.298 USER MOD Single : A 95 ASN : amide:sc= -0.267 K(o=-0.27,f=-1.4!) USER MOD Single : A 96 HIS : no HD1:sc= -0.0485 X(o=-0.049,f=0) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 ASN : amide:sc= 0 X(o=0,f=-0.0058) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 104 GLN : amide:sc= -0.774 K(o=-0.77,f=-4.3!) USER MOD Single : A 105 TYR OH : rot 70:sc= 1.86 USER MOD Single : A 106 ASN :FLIP amide:sc= -0.54 F(o=-1.1,f=-0.54) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 TYR OH : rot 180:sc= 0 USER MOD Single : A 119 LYS NZ :NH3+ -162:sc=-0.00245 (180deg=-0.394) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 17 1.972 -9.393 -15.024 1.00 0.00 N ATOM 2 CA LEU A 17 2.747 -8.524 -14.105 1.00 0.00 C ATOM 3 C LEU A 17 4.207 -8.971 -14.074 1.00 0.00 C ATOM 4 O LEU A 17 4.736 -9.343 -13.045 1.00 0.00 O ATOM 5 CB LEU A 17 2.156 -8.619 -12.679 1.00 0.00 C ATOM 6 CG LEU A 17 2.399 -7.305 -11.915 1.00 0.00 C ATOM 7 CD1 LEU A 17 1.483 -7.259 -10.696 1.00 0.00 C ATOM 8 CD2 LEU A 17 3.860 -7.236 -11.451 1.00 0.00 C ATOM 0 HA LEU A 17 2.691 -7.494 -14.459 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.087 -8.824 -12.733 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.613 -9.450 -12.142 1.00 0.00 H new ATOM 0 HG LEU A 17 2.189 -6.461 -12.571 1.00 0.00 H new ATOM 0 HD11 LEU A 17 1.650 -6.330 -10.150 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.443 -7.307 -11.020 1.00 0.00 H new ATOM 0 HD13 LEU A 17 1.700 -8.106 -10.046 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.027 -6.304 -10.911 1.00 0.00 H new ATOM 0 HD22 LEU A 17 4.073 -8.079 -10.794 1.00 0.00 H new ATOM 0 HD23 LEU A 17 4.519 -7.276 -12.318 1.00 0.00 H new ATOM 22 N GLN A 18 4.832 -8.911 -15.207 1.00 0.00 N ATOM 23 CA GLN A 18 6.252 -9.324 -15.278 1.00 0.00 C ATOM 24 C GLN A 18 7.122 -8.325 -14.546 1.00 0.00 C ATOM 25 O GLN A 18 8.133 -8.671 -13.967 1.00 0.00 O ATOM 26 CB GLN A 18 6.674 -9.357 -16.756 1.00 0.00 C ATOM 27 CG GLN A 18 5.758 -10.312 -17.523 1.00 0.00 C ATOM 28 CD GLN A 18 6.099 -11.754 -17.147 1.00 0.00 C ATOM 29 OE1 GLN A 18 6.965 -12.372 -17.733 1.00 0.00 O ATOM 30 NE2 GLN A 18 5.443 -12.328 -16.176 1.00 0.00 N ATOM 0 H GLN A 18 4.423 -8.595 -16.086 1.00 0.00 H new ATOM 0 HA GLN A 18 6.369 -10.305 -14.818 1.00 0.00 H new ATOM 0 HB2 GLN A 18 6.616 -8.357 -17.185 1.00 0.00 H new ATOM 0 HB3 GLN A 18 7.711 -9.681 -16.843 1.00 0.00 H new ATOM 0 HG2 GLN A 18 4.715 -10.100 -17.288 1.00 0.00 H new ATOM 0 HG3 GLN A 18 5.879 -10.166 -18.596 1.00 0.00 H new ATOM 0 HE21 GLN A 18 4.714 -11.815 -15.680 1.00 0.00 H new ATOM 0 HE22 GLN A 18 5.659 -13.290 -15.913 1.00 0.00 H new ATOM 39 N ASP A 19 6.708 -7.104 -14.589 1.00 0.00 N ATOM 40 CA ASP A 19 7.471 -6.042 -13.912 1.00 0.00 C ATOM 41 C ASP A 19 6.567 -4.876 -13.583 1.00 0.00 C ATOM 42 O ASP A 19 6.878 -4.053 -12.745 1.00 0.00 O ATOM 43 CB ASP A 19 8.550 -5.561 -14.873 1.00 0.00 C ATOM 44 CG ASP A 19 9.931 -5.713 -14.225 1.00 0.00 C ATOM 45 OD1 ASP A 19 10.066 -5.221 -13.117 1.00 0.00 O ATOM 46 OD2 ASP A 19 10.772 -6.308 -14.879 1.00 0.00 O ATOM 0 H ASP A 19 5.864 -6.793 -15.070 1.00 0.00 H new ATOM 0 HA ASP A 19 7.902 -6.429 -12.989 1.00 0.00 H new ATOM 0 HB2 ASP A 19 8.508 -6.136 -15.798 1.00 0.00 H new ATOM 0 HB3 ASP A 19 8.375 -4.518 -15.137 1.00 0.00 H new ATOM 51 N ALA A 20 5.456 -4.829 -14.253 1.00 0.00 N ATOM 52 CA ALA A 20 4.494 -3.725 -14.008 1.00 0.00 C ATOM 53 C ALA A 20 5.189 -2.367 -14.126 1.00 0.00 C ATOM 54 O ALA A 20 6.340 -2.293 -14.513 1.00 0.00 O ATOM 55 CB ALA A 20 3.927 -3.879 -12.587 1.00 0.00 C ATOM 0 H ALA A 20 5.171 -5.507 -14.960 1.00 0.00 H new ATOM 0 HA ALA A 20 3.697 -3.773 -14.750 1.00 0.00 H new ATOM 0 HB1 ALA A 20 3.218 -3.075 -12.389 1.00 0.00 H new ATOM 0 HB2 ALA A 20 3.420 -4.840 -12.500 1.00 0.00 H new ATOM 0 HB3 ALA A 20 4.741 -3.831 -11.863 1.00 0.00 H new ATOM 61 N GLU A 21 4.471 -1.317 -13.788 1.00 0.00 N ATOM 62 CA GLU A 21 5.056 0.047 -13.868 1.00 0.00 C ATOM 63 C GLU A 21 4.970 0.738 -12.511 1.00 0.00 C ATOM 64 O GLU A 21 5.965 1.176 -11.970 1.00 0.00 O ATOM 65 CB GLU A 21 4.243 0.860 -14.891 1.00 0.00 C ATOM 66 CG GLU A 21 3.983 -0.001 -16.137 1.00 0.00 C ATOM 67 CD GLU A 21 3.239 0.834 -17.182 1.00 0.00 C ATOM 68 OE1 GLU A 21 2.844 1.929 -16.817 1.00 0.00 O ATOM 69 OE2 GLU A 21 3.109 0.329 -18.285 1.00 0.00 O ATOM 0 H GLU A 21 3.506 -1.355 -13.461 1.00 0.00 H new ATOM 0 HA GLU A 21 6.102 -0.021 -14.166 1.00 0.00 H new ATOM 0 HB2 GLU A 21 3.298 1.177 -14.451 1.00 0.00 H new ATOM 0 HB3 GLU A 21 4.785 1.764 -15.167 1.00 0.00 H new ATOM 0 HG2 GLU A 21 4.926 -0.362 -16.547 1.00 0.00 H new ATOM 0 HG3 GLU A 21 3.395 -0.879 -15.870 1.00 0.00 H new ATOM 76 N TRP A 22 3.777 0.821 -11.984 1.00 0.00 N ATOM 77 CA TRP A 22 3.614 1.480 -10.663 1.00 0.00 C ATOM 78 C TRP A 22 4.479 0.786 -9.631 1.00 0.00 C ATOM 79 O TRP A 22 5.046 1.409 -8.756 1.00 0.00 O ATOM 80 CB TRP A 22 2.151 1.379 -10.233 1.00 0.00 C ATOM 81 CG TRP A 22 1.326 0.840 -11.400 1.00 0.00 C ATOM 82 CD1 TRP A 22 0.751 1.604 -12.292 1.00 0.00 C ATOM 83 CD2 TRP A 22 1.139 -0.427 -11.667 1.00 0.00 C ATOM 84 NE1 TRP A 22 0.187 0.737 -13.148 1.00 0.00 N ATOM 85 CE2 TRP A 22 0.390 -0.585 -12.820 1.00 0.00 C ATOM 86 CE3 TRP A 22 1.570 -1.541 -10.976 1.00 0.00 C ATOM 87 CZ2 TRP A 22 0.081 -1.844 -13.269 1.00 0.00 C ATOM 88 CZ3 TRP A 22 1.254 -2.792 -11.427 1.00 0.00 C ATOM 89 CH2 TRP A 22 0.513 -2.944 -12.571 1.00 0.00 C ATOM 0 H TRP A 22 2.920 0.465 -12.408 1.00 0.00 H new ATOM 0 HA TRP A 22 3.913 2.525 -10.742 1.00 0.00 H new ATOM 0 HB2 TRP A 22 2.057 0.720 -9.370 1.00 0.00 H new ATOM 0 HB3 TRP A 22 1.779 2.358 -9.929 1.00 0.00 H new ATOM 0 HD1 TRP A 22 0.734 2.683 -12.331 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -0.344 1.031 -13.968 1.00 0.00 H new ATOM 0 HE3 TRP A 22 2.158 -1.424 -10.078 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -0.501 -1.969 -14.170 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 1.588 -3.662 -10.882 1.00 0.00 H new ATOM 0 HH2 TRP A 22 0.268 -3.935 -12.925 1.00 0.00 H new ATOM 100 N TYR A 23 4.557 -0.500 -9.764 1.00 0.00 N ATOM 101 CA TYR A 23 5.374 -1.294 -8.819 1.00 0.00 C ATOM 102 C TYR A 23 6.799 -1.390 -9.346 1.00 0.00 C ATOM 103 O TYR A 23 7.013 -1.679 -10.506 1.00 0.00 O ATOM 104 CB TYR A 23 4.768 -2.718 -8.738 1.00 0.00 C ATOM 105 CG TYR A 23 3.413 -2.733 -7.955 1.00 0.00 C ATOM 106 CD1 TYR A 23 2.734 -1.558 -7.595 1.00 0.00 C ATOM 107 CD2 TYR A 23 2.838 -3.944 -7.621 1.00 0.00 C ATOM 108 CE1 TYR A 23 1.529 -1.622 -6.927 1.00 0.00 C ATOM 109 CE2 TYR A 23 1.632 -3.995 -6.952 1.00 0.00 C ATOM 110 CZ TYR A 23 0.970 -2.840 -6.604 1.00 0.00 C ATOM 111 OH TYR A 23 -0.238 -2.903 -5.944 1.00 0.00 O ATOM 0 H TYR A 23 4.087 -1.039 -10.491 1.00 0.00 H new ATOM 0 HA TYR A 23 5.381 -0.824 -7.836 1.00 0.00 H new ATOM 0 HB2 TYR A 23 4.609 -3.103 -9.745 1.00 0.00 H new ATOM 0 HB3 TYR A 23 5.477 -3.387 -8.250 1.00 0.00 H new ATOM 0 HD1 TYR A 23 3.159 -0.596 -7.843 1.00 0.00 H new ATOM 0 HD2 TYR A 23 3.339 -4.863 -7.887 1.00 0.00 H new ATOM 0 HE1 TYR A 23 1.019 -0.710 -6.655 1.00 0.00 H new ATOM 0 HE2 TYR A 23 1.203 -4.953 -6.699 1.00 0.00 H new ATOM 0 HH TYR A 23 -0.483 -3.841 -5.798 1.00 0.00 H new ATOM 121 N TRP A 24 7.750 -1.141 -8.492 1.00 0.00 N ATOM 122 CA TRP A 24 9.163 -1.213 -8.939 1.00 0.00 C ATOM 123 C TRP A 24 9.710 -2.613 -8.765 1.00 0.00 C ATOM 124 O TRP A 24 10.590 -3.035 -9.490 1.00 0.00 O ATOM 125 CB TRP A 24 10.001 -0.275 -8.059 1.00 0.00 C ATOM 126 CG TRP A 24 9.481 1.164 -8.160 1.00 0.00 C ATOM 127 CD1 TRP A 24 8.436 1.555 -8.880 1.00 0.00 C ATOM 128 CD2 TRP A 24 9.996 2.157 -7.507 1.00 0.00 C ATOM 129 NE1 TRP A 24 8.347 2.873 -8.608 1.00 0.00 N ATOM 130 CE2 TRP A 24 9.315 3.330 -7.736 1.00 0.00 C ATOM 131 CE3 TRP A 24 11.088 2.138 -6.675 1.00 0.00 C ATOM 132 CZ2 TRP A 24 9.728 4.484 -7.123 1.00 0.00 C ATOM 133 CZ3 TRP A 24 11.502 3.293 -6.061 1.00 0.00 C ATOM 134 CH2 TRP A 24 10.824 4.468 -6.285 1.00 0.00 C ATOM 0 H TRP A 24 7.610 -0.893 -7.513 1.00 0.00 H new ATOM 0 HA TRP A 24 9.211 -0.931 -9.991 1.00 0.00 H new ATOM 0 HB2 TRP A 24 9.963 -0.609 -7.022 1.00 0.00 H new ATOM 0 HB3 TRP A 24 11.045 -0.313 -8.369 1.00 0.00 H new ATOM 0 HD1 TRP A 24 7.808 0.961 -9.528 1.00 0.00 H new ATOM 0 HE1 TRP A 24 7.630 3.477 -9.010 1.00 0.00 H new ATOM 0 HE3 TRP A 24 11.621 1.214 -6.504 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 9.195 5.407 -7.296 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 12.358 3.279 -5.403 1.00 0.00 H new ATOM 0 HH2 TRP A 24 11.150 5.379 -5.805 1.00 0.00 H new ATOM 145 N GLY A 25 9.168 -3.303 -7.809 1.00 0.00 N ATOM 146 CA GLY A 25 9.626 -4.694 -7.540 1.00 0.00 C ATOM 147 C GLY A 25 9.972 -4.841 -6.065 1.00 0.00 C ATOM 148 O GLY A 25 10.879 -5.558 -5.703 1.00 0.00 O ATOM 0 H GLY A 25 8.424 -2.966 -7.198 1.00 0.00 H new ATOM 0 HA2 GLY A 25 8.845 -5.404 -7.813 1.00 0.00 H new ATOM 0 HA3 GLY A 25 10.497 -4.926 -8.153 1.00 0.00 H new ATOM 152 N ASP A 26 9.233 -4.146 -5.247 1.00 0.00 N ATOM 153 CA ASP A 26 9.475 -4.207 -3.777 1.00 0.00 C ATOM 154 C ASP A 26 10.785 -3.531 -3.400 1.00 0.00 C ATOM 155 O ASP A 26 11.821 -3.804 -3.978 1.00 0.00 O ATOM 156 CB ASP A 26 9.531 -5.690 -3.348 1.00 0.00 C ATOM 157 CG ASP A 26 10.976 -6.093 -3.035 1.00 0.00 C ATOM 158 OD1 ASP A 26 11.457 -5.637 -2.012 1.00 0.00 O ATOM 159 OD2 ASP A 26 11.514 -6.842 -3.833 1.00 0.00 O ATOM 0 H ASP A 26 8.468 -3.535 -5.534 1.00 0.00 H new ATOM 0 HA ASP A 26 8.665 -3.684 -3.269 1.00 0.00 H new ATOM 0 HB2 ASP A 26 8.903 -5.847 -2.471 1.00 0.00 H new ATOM 0 HB3 ASP A 26 9.133 -6.322 -4.142 1.00 0.00 H new ATOM 164 N ILE A 27 10.716 -2.640 -2.440 1.00 0.00 N ATOM 165 CA ILE A 27 11.959 -1.935 -2.012 1.00 0.00 C ATOM 166 C ILE A 27 11.930 -1.644 -0.510 1.00 0.00 C ATOM 167 O ILE A 27 11.955 -2.547 0.300 1.00 0.00 O ATOM 168 CB ILE A 27 12.101 -0.600 -2.780 1.00 0.00 C ATOM 169 CG1 ILE A 27 10.769 0.204 -2.751 1.00 0.00 C ATOM 170 CG2 ILE A 27 12.542 -0.900 -4.238 1.00 0.00 C ATOM 171 CD1 ILE A 27 9.862 -0.116 -3.955 1.00 0.00 C ATOM 0 H ILE A 27 9.866 -2.375 -1.943 1.00 0.00 H new ATOM 0 HA ILE A 27 12.807 -2.583 -2.233 1.00 0.00 H new ATOM 0 HB ILE A 27 12.859 0.016 -2.296 1.00 0.00 H new ATOM 0 HG12 ILE A 27 10.234 -0.018 -1.828 1.00 0.00 H new ATOM 0 HG13 ILE A 27 10.992 1.271 -2.741 1.00 0.00 H new ATOM 0 HG21 ILE A 27 12.645 0.036 -4.787 1.00 0.00 H new ATOM 0 HG22 ILE A 27 13.499 -1.422 -4.229 1.00 0.00 H new ATOM 0 HG23 ILE A 27 11.793 -1.525 -4.723 1.00 0.00 H new ATOM 0 HD11 ILE A 27 8.946 0.471 -3.887 1.00 0.00 H new ATOM 0 HD12 ILE A 27 10.384 0.132 -4.879 1.00 0.00 H new ATOM 0 HD13 ILE A 27 9.614 -1.177 -3.952 1.00 0.00 H new ATOM 183 N SER A 28 11.876 -0.388 -0.172 1.00 0.00 N ATOM 184 CA SER A 28 11.845 -0.013 1.255 1.00 0.00 C ATOM 185 C SER A 28 11.461 1.454 1.406 1.00 0.00 C ATOM 186 O SER A 28 11.368 2.175 0.433 1.00 0.00 O ATOM 187 CB SER A 28 13.251 -0.223 1.834 1.00 0.00 C ATOM 188 OG SER A 28 14.118 0.292 0.835 1.00 0.00 O ATOM 0 H SER A 28 11.852 0.392 -0.828 1.00 0.00 H new ATOM 0 HA SER A 28 11.112 -0.625 1.780 1.00 0.00 H new ATOM 0 HB2 SER A 28 13.375 0.304 2.780 1.00 0.00 H new ATOM 0 HB3 SER A 28 13.449 -1.277 2.028 1.00 0.00 H new ATOM 0 HG SER A 28 15.048 0.197 1.129 1.00 0.00 H new ATOM 194 N ARG A 29 11.246 1.871 2.621 1.00 0.00 N ATOM 195 CA ARG A 29 10.870 3.285 2.845 1.00 0.00 C ATOM 196 C ARG A 29 11.976 4.203 2.382 1.00 0.00 C ATOM 197 O ARG A 29 11.779 5.385 2.216 1.00 0.00 O ATOM 198 CB ARG A 29 10.648 3.500 4.348 1.00 0.00 C ATOM 199 CG ARG A 29 11.715 2.727 5.133 1.00 0.00 C ATOM 200 CD ARG A 29 11.118 1.412 5.650 1.00 0.00 C ATOM 201 NE ARG A 29 10.352 1.688 6.897 1.00 0.00 N ATOM 202 CZ ARG A 29 10.867 1.362 8.051 1.00 0.00 C ATOM 203 NH1 ARG A 29 12.137 1.577 8.256 1.00 0.00 N ATOM 204 NH2 ARG A 29 10.096 0.828 8.958 1.00 0.00 N ATOM 0 H ARG A 29 11.315 1.296 3.461 1.00 0.00 H new ATOM 0 HA ARG A 29 9.963 3.508 2.283 1.00 0.00 H new ATOM 0 HB2 ARG A 29 10.702 4.562 4.587 1.00 0.00 H new ATOM 0 HB3 ARG A 29 9.652 3.160 4.633 1.00 0.00 H new ATOM 0 HG2 ARG A 29 12.574 2.522 4.494 1.00 0.00 H new ATOM 0 HG3 ARG A 29 12.074 3.329 5.968 1.00 0.00 H new ATOM 0 HD2 ARG A 29 10.465 0.972 4.896 1.00 0.00 H new ATOM 0 HD3 ARG A 29 11.910 0.690 5.846 1.00 0.00 H new ATOM 0 HE ARG A 29 9.433 2.128 6.850 1.00 0.00 H new ATOM 0 HH11 ARG A 29 12.709 1.993 7.521 1.00 0.00 H new ATOM 0 HH12 ARG A 29 12.558 1.329 9.151 1.00 0.00 H new ATOM 0 HH21 ARG A 29 9.108 0.672 8.759 1.00 0.00 H new ATOM 0 HH22 ARG A 29 10.481 0.567 9.866 1.00 0.00 H new ATOM 218 N GLU A 30 13.126 3.645 2.178 1.00 0.00 N ATOM 219 CA GLU A 30 14.252 4.478 1.725 1.00 0.00 C ATOM 220 C GLU A 30 14.055 4.909 0.281 1.00 0.00 C ATOM 221 O GLU A 30 14.060 6.082 -0.016 1.00 0.00 O ATOM 222 CB GLU A 30 15.541 3.653 1.834 1.00 0.00 C ATOM 223 CG GLU A 30 15.554 2.926 3.180 1.00 0.00 C ATOM 224 CD GLU A 30 16.918 2.261 3.386 1.00 0.00 C ATOM 225 OE1 GLU A 30 17.409 1.719 2.410 1.00 0.00 O ATOM 226 OE2 GLU A 30 17.393 2.335 4.508 1.00 0.00 O ATOM 0 H GLU A 30 13.332 2.654 2.305 1.00 0.00 H new ATOM 0 HA GLU A 30 14.311 5.371 2.347 1.00 0.00 H new ATOM 0 HB2 GLU A 30 15.598 2.934 1.017 1.00 0.00 H new ATOM 0 HB3 GLU A 30 16.412 4.302 1.748 1.00 0.00 H new ATOM 0 HG2 GLU A 30 15.355 3.630 3.988 1.00 0.00 H new ATOM 0 HG3 GLU A 30 14.764 2.176 3.208 1.00 0.00 H new ATOM 233 N GLU A 31 13.876 3.960 -0.596 1.00 0.00 N ATOM 234 CA GLU A 31 13.680 4.328 -2.011 1.00 0.00 C ATOM 235 C GLU A 31 12.283 4.896 -2.211 1.00 0.00 C ATOM 236 O GLU A 31 12.114 5.940 -2.812 1.00 0.00 O ATOM 237 CB GLU A 31 13.851 3.070 -2.871 1.00 0.00 C ATOM 238 CG GLU A 31 14.944 2.195 -2.257 1.00 0.00 C ATOM 239 CD GLU A 31 15.633 1.399 -3.365 1.00 0.00 C ATOM 240 OE1 GLU A 31 14.910 0.717 -4.071 1.00 0.00 O ATOM 241 OE2 GLU A 31 16.845 1.517 -3.444 1.00 0.00 O ATOM 0 H GLU A 31 13.858 2.961 -0.391 1.00 0.00 H new ATOM 0 HA GLU A 31 14.411 5.083 -2.300 1.00 0.00 H new ATOM 0 HB2 GLU A 31 12.912 2.519 -2.924 1.00 0.00 H new ATOM 0 HB3 GLU A 31 14.117 3.345 -3.892 1.00 0.00 H new ATOM 0 HG2 GLU A 31 15.671 2.815 -1.733 1.00 0.00 H new ATOM 0 HG3 GLU A 31 14.513 1.517 -1.520 1.00 0.00 H new ATOM 248 N VAL A 32 11.303 4.207 -1.693 1.00 0.00 N ATOM 249 CA VAL A 32 9.915 4.699 -1.846 1.00 0.00 C ATOM 250 C VAL A 32 9.849 6.171 -1.444 1.00 0.00 C ATOM 251 O VAL A 32 9.570 7.029 -2.250 1.00 0.00 O ATOM 252 CB VAL A 32 8.999 3.873 -0.895 1.00 0.00 C ATOM 253 CG1 VAL A 32 7.749 4.705 -0.548 1.00 0.00 C ATOM 254 CG2 VAL A 32 8.574 2.544 -1.581 1.00 0.00 C ATOM 0 H VAL A 32 11.406 3.334 -1.176 1.00 0.00 H new ATOM 0 HA VAL A 32 9.591 4.592 -2.881 1.00 0.00 H new ATOM 0 HB VAL A 32 9.547 3.635 0.017 1.00 0.00 H new ATOM 0 HG11 VAL A 32 7.104 4.132 0.118 1.00 0.00 H new ATOM 0 HG12 VAL A 32 8.052 5.628 -0.054 1.00 0.00 H new ATOM 0 HG13 VAL A 32 7.206 4.944 -1.462 1.00 0.00 H new ATOM 0 HG21 VAL A 32 7.934 1.975 -0.907 1.00 0.00 H new ATOM 0 HG22 VAL A 32 8.028 2.766 -2.498 1.00 0.00 H new ATOM 0 HG23 VAL A 32 9.461 1.958 -1.820 1.00 0.00 H new ATOM 264 N ASN A 33 10.129 6.424 -0.199 1.00 0.00 N ATOM 265 CA ASN A 33 10.094 7.827 0.305 1.00 0.00 C ATOM 266 C ASN A 33 11.012 8.761 -0.479 1.00 0.00 C ATOM 267 O ASN A 33 10.554 9.681 -1.125 1.00 0.00 O ATOM 268 CB ASN A 33 10.567 7.816 1.765 1.00 0.00 C ATOM 269 CG ASN A 33 10.183 9.138 2.429 1.00 0.00 C ATOM 270 OD1 ASN A 33 9.021 9.456 2.573 1.00 0.00 O ATOM 271 ND2 ASN A 33 11.127 9.934 2.847 1.00 0.00 N ATOM 0 H ASN A 33 10.381 5.720 0.495 1.00 0.00 H new ATOM 0 HA ASN A 33 9.074 8.195 0.196 1.00 0.00 H new ATOM 0 HB2 ASN A 33 10.114 6.982 2.300 1.00 0.00 H new ATOM 0 HB3 ASN A 33 11.647 7.674 1.809 1.00 0.00 H new ATOM 0 HD21 ASN A 33 10.887 10.820 3.293 1.00 0.00 H new ATOM 0 HD22 ASN A 33 12.105 9.671 2.728 1.00 0.00 H new ATOM 278 N GLU A 34 12.292 8.514 -0.390 1.00 0.00 N ATOM 279 CA GLU A 34 13.271 9.377 -1.121 1.00 0.00 C ATOM 280 C GLU A 34 12.766 9.804 -2.491 1.00 0.00 C ATOM 281 O GLU A 34 13.199 10.811 -3.014 1.00 0.00 O ATOM 282 CB GLU A 34 14.581 8.593 -1.318 1.00 0.00 C ATOM 283 CG GLU A 34 15.279 8.403 0.035 1.00 0.00 C ATOM 284 CD GLU A 34 16.149 9.625 0.337 1.00 0.00 C ATOM 285 OE1 GLU A 34 17.043 9.863 -0.460 1.00 0.00 O ATOM 286 OE2 GLU A 34 15.874 10.250 1.349 1.00 0.00 O ATOM 0 H GLU A 34 12.703 7.756 0.155 1.00 0.00 H new ATOM 0 HA GLU A 34 13.422 10.274 -0.520 1.00 0.00 H new ATOM 0 HB2 GLU A 34 14.371 7.623 -1.769 1.00 0.00 H new ATOM 0 HB3 GLU A 34 15.237 9.129 -2.004 1.00 0.00 H new ATOM 0 HG2 GLU A 34 14.538 8.268 0.823 1.00 0.00 H new ATOM 0 HG3 GLU A 34 15.893 7.502 0.016 1.00 0.00 H new ATOM 293 N LYS A 35 11.862 9.050 -3.048 1.00 0.00 N ATOM 294 CA LYS A 35 11.341 9.425 -4.390 1.00 0.00 C ATOM 295 C LYS A 35 10.026 10.176 -4.318 1.00 0.00 C ATOM 296 O LYS A 35 9.877 11.217 -4.911 1.00 0.00 O ATOM 297 CB LYS A 35 11.120 8.148 -5.186 1.00 0.00 C ATOM 298 CG LYS A 35 11.932 8.211 -6.487 1.00 0.00 C ATOM 299 CD LYS A 35 11.328 9.275 -7.416 1.00 0.00 C ATOM 300 CE LYS A 35 12.456 10.049 -8.105 1.00 0.00 C ATOM 301 NZ LYS A 35 13.036 11.064 -7.180 1.00 0.00 N ATOM 0 H LYS A 35 11.466 8.203 -2.640 1.00 0.00 H new ATOM 0 HA LYS A 35 12.072 10.083 -4.860 1.00 0.00 H new ATOM 0 HB2 LYS A 35 11.423 7.282 -4.597 1.00 0.00 H new ATOM 0 HB3 LYS A 35 10.061 8.026 -5.411 1.00 0.00 H new ATOM 0 HG2 LYS A 35 12.972 8.452 -6.268 1.00 0.00 H new ATOM 0 HG3 LYS A 35 11.927 7.238 -6.979 1.00 0.00 H new ATOM 0 HD2 LYS A 35 10.689 8.802 -8.161 1.00 0.00 H new ATOM 0 HD3 LYS A 35 10.700 9.958 -6.844 1.00 0.00 H new ATOM 0 HE2 LYS A 35 13.234 9.358 -8.429 1.00 0.00 H new ATOM 0 HE3 LYS A 35 12.074 10.541 -9.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 13.715 11.658 -7.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 12.275 11.661 -6.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 13.523 10.582 -6.398 1.00 0.00 H new ATOM 315 N LEU A 36 9.108 9.650 -3.591 1.00 0.00 N ATOM 316 CA LEU A 36 7.787 10.328 -3.477 1.00 0.00 C ATOM 317 C LEU A 36 7.921 11.809 -3.146 1.00 0.00 C ATOM 318 O LEU A 36 7.103 12.616 -3.538 1.00 0.00 O ATOM 319 CB LEU A 36 7.000 9.662 -2.338 1.00 0.00 C ATOM 320 CG LEU A 36 6.626 8.226 -2.725 1.00 0.00 C ATOM 321 CD1 LEU A 36 6.038 7.529 -1.489 1.00 0.00 C ATOM 322 CD2 LEU A 36 5.588 8.238 -3.855 1.00 0.00 C ATOM 0 H LEU A 36 9.202 8.781 -3.066 1.00 0.00 H new ATOM 0 HA LEU A 36 7.282 10.237 -4.439 1.00 0.00 H new ATOM 0 HB2 LEU A 36 7.598 9.657 -1.427 1.00 0.00 H new ATOM 0 HB3 LEU A 36 6.098 10.236 -2.125 1.00 0.00 H new ATOM 0 HG LEU A 36 7.511 7.694 -3.073 1.00 0.00 H new ATOM 0 HD11 LEU A 36 5.765 6.505 -1.744 1.00 0.00 H new ATOM 0 HD12 LEU A 36 6.779 7.519 -0.690 1.00 0.00 H new ATOM 0 HD13 LEU A 36 5.152 8.068 -1.155 1.00 0.00 H new ATOM 0 HD21 LEU A 36 5.329 7.213 -4.122 1.00 0.00 H new ATOM 0 HD22 LEU A 36 4.693 8.763 -3.521 1.00 0.00 H new ATOM 0 HD23 LEU A 36 6.003 8.746 -4.725 1.00 0.00 H new ATOM 334 N ARG A 37 8.943 12.130 -2.440 1.00 0.00 N ATOM 335 CA ARG A 37 9.171 13.541 -2.054 1.00 0.00 C ATOM 336 C ARG A 37 9.222 14.511 -3.235 1.00 0.00 C ATOM 337 O ARG A 37 8.280 15.229 -3.502 1.00 0.00 O ATOM 338 CB ARG A 37 10.524 13.597 -1.345 1.00 0.00 C ATOM 339 CG ARG A 37 10.334 13.401 0.159 1.00 0.00 C ATOM 340 CD ARG A 37 10.243 14.774 0.818 1.00 0.00 C ATOM 341 NE ARG A 37 9.641 14.632 2.175 1.00 0.00 N ATOM 342 CZ ARG A 37 9.110 15.678 2.753 1.00 0.00 C ATOM 343 NH1 ARG A 37 7.857 15.959 2.522 1.00 0.00 N ATOM 344 NH2 ARG A 37 9.850 16.407 3.543 1.00 0.00 N ATOM 0 H ARG A 37 9.646 11.471 -2.104 1.00 0.00 H new ATOM 0 HA ARG A 37 8.333 13.850 -1.430 1.00 0.00 H new ATOM 0 HB2 ARG A 37 11.183 12.824 -1.740 1.00 0.00 H new ATOM 0 HB3 ARG A 37 11.005 14.556 -1.537 1.00 0.00 H new ATOM 0 HG2 ARG A 37 9.429 12.826 0.355 1.00 0.00 H new ATOM 0 HG3 ARG A 37 11.167 12.835 0.576 1.00 0.00 H new ATOM 0 HD2 ARG A 37 11.235 15.220 0.893 1.00 0.00 H new ATOM 0 HD3 ARG A 37 9.637 15.443 0.207 1.00 0.00 H new ATOM 0 HE ARG A 37 9.643 13.728 2.648 1.00 0.00 H new ATOM 0 HH11 ARG A 37 7.308 15.367 1.899 1.00 0.00 H new ATOM 0 HH12 ARG A 37 7.427 16.771 2.964 1.00 0.00 H new ATOM 0 HH21 ARG A 37 10.826 16.157 3.701 1.00 0.00 H new ATOM 0 HH22 ARG A 37 9.452 17.226 4.002 1.00 0.00 H new ATOM 358 N ASP A 38 10.328 14.509 -3.891 1.00 0.00 N ATOM 359 CA ASP A 38 10.538 15.399 -5.056 1.00 0.00 C ATOM 360 C ASP A 38 9.667 15.089 -6.282 1.00 0.00 C ATOM 361 O ASP A 38 10.169 15.067 -7.387 1.00 0.00 O ATOM 362 CB ASP A 38 12.002 15.243 -5.466 1.00 0.00 C ATOM 363 CG ASP A 38 12.900 15.576 -4.274 1.00 0.00 C ATOM 364 OD1 ASP A 38 12.965 14.733 -3.393 1.00 0.00 O ATOM 365 OD2 ASP A 38 13.470 16.653 -4.310 1.00 0.00 O ATOM 0 H ASP A 38 11.124 13.912 -3.667 1.00 0.00 H new ATOM 0 HA ASP A 38 10.261 16.406 -4.744 1.00 0.00 H new ATOM 0 HB2 ASP A 38 12.190 14.224 -5.804 1.00 0.00 H new ATOM 0 HB3 ASP A 38 12.229 15.903 -6.303 1.00 0.00 H new ATOM 370 N THR A 39 8.395 14.861 -6.099 1.00 0.00 N ATOM 371 CA THR A 39 7.566 14.568 -7.313 1.00 0.00 C ATOM 372 C THR A 39 6.076 14.342 -7.020 1.00 0.00 C ATOM 373 O THR A 39 5.704 13.594 -6.140 1.00 0.00 O ATOM 374 CB THR A 39 8.120 13.321 -8.005 1.00 0.00 C ATOM 375 OG1 THR A 39 7.011 12.718 -8.639 1.00 0.00 O ATOM 376 CG2 THR A 39 8.589 12.286 -6.987 1.00 0.00 C ATOM 0 H THR A 39 7.906 14.863 -5.204 1.00 0.00 H new ATOM 0 HA THR A 39 7.630 15.453 -7.946 1.00 0.00 H new ATOM 0 HB THR A 39 8.942 13.605 -8.662 1.00 0.00 H new ATOM 0 HG1 THR A 39 7.302 11.907 -9.106 1.00 0.00 H new ATOM 0 HG21 THR A 39 8.977 11.412 -7.509 1.00 0.00 H new ATOM 0 HG22 THR A 39 9.375 12.716 -6.366 1.00 0.00 H new ATOM 0 HG23 THR A 39 7.750 11.989 -6.357 1.00 0.00 H new ATOM 384 N ALA A 40 5.271 15.006 -7.818 1.00 0.00 N ATOM 385 CA ALA A 40 3.774 14.921 -7.701 1.00 0.00 C ATOM 386 C ALA A 40 3.245 15.003 -6.266 1.00 0.00 C ATOM 387 O ALA A 40 3.981 14.933 -5.303 1.00 0.00 O ATOM 388 CB ALA A 40 3.322 13.584 -8.306 1.00 0.00 C ATOM 0 H ALA A 40 5.596 15.619 -8.565 1.00 0.00 H new ATOM 0 HA ALA A 40 3.370 15.785 -8.229 1.00 0.00 H new ATOM 0 HB1 ALA A 40 2.238 13.499 -8.232 1.00 0.00 H new ATOM 0 HB2 ALA A 40 3.619 13.540 -9.354 1.00 0.00 H new ATOM 0 HB3 ALA A 40 3.788 12.762 -7.762 1.00 0.00 H new ATOM 394 N ASP A 41 1.942 15.165 -6.182 1.00 0.00 N ATOM 395 CA ASP A 41 1.263 15.264 -4.867 1.00 0.00 C ATOM 396 C ASP A 41 0.092 14.279 -4.831 1.00 0.00 C ATOM 397 O ASP A 41 -1.035 14.647 -4.560 1.00 0.00 O ATOM 398 CB ASP A 41 0.720 16.692 -4.727 1.00 0.00 C ATOM 399 CG ASP A 41 0.397 16.982 -3.264 1.00 0.00 C ATOM 400 OD1 ASP A 41 -0.603 16.448 -2.815 1.00 0.00 O ATOM 401 OD2 ASP A 41 1.169 17.723 -2.675 1.00 0.00 O ATOM 0 H ASP A 41 1.320 15.233 -6.988 1.00 0.00 H new ATOM 0 HA ASP A 41 1.956 15.033 -4.058 1.00 0.00 H new ATOM 0 HB2 ASP A 41 1.455 17.408 -5.095 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -0.175 16.812 -5.337 1.00 0.00 H new ATOM 406 N GLY A 42 0.400 13.043 -5.108 1.00 0.00 N ATOM 407 CA GLY A 42 -0.650 11.977 -5.114 1.00 0.00 C ATOM 408 C GLY A 42 -0.118 10.813 -5.938 1.00 0.00 C ATOM 409 O GLY A 42 -0.650 10.486 -6.977 1.00 0.00 O ATOM 0 H GLY A 42 1.341 12.719 -5.333 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -0.875 11.655 -4.097 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -1.578 12.356 -5.541 1.00 0.00 H new ATOM 413 N THR A 43 0.922 10.208 -5.440 1.00 0.00 N ATOM 414 CA THR A 43 1.532 9.059 -6.169 1.00 0.00 C ATOM 415 C THR A 43 1.138 7.707 -5.578 1.00 0.00 C ATOM 416 O THR A 43 0.356 7.631 -4.650 1.00 0.00 O ATOM 417 CB THR A 43 3.031 9.204 -6.010 1.00 0.00 C ATOM 418 OG1 THR A 43 3.260 10.590 -5.874 1.00 0.00 O ATOM 419 CG2 THR A 43 3.785 8.815 -7.284 1.00 0.00 C ATOM 0 H THR A 43 1.377 10.457 -4.562 1.00 0.00 H new ATOM 0 HA THR A 43 1.191 9.079 -7.204 1.00 0.00 H new ATOM 0 HB THR A 43 3.362 8.580 -5.180 1.00 0.00 H new ATOM 0 HG1 THR A 43 4.220 10.754 -5.765 1.00 0.00 H new ATOM 0 HG21 THR A 43 4.856 8.935 -7.124 1.00 0.00 H new ATOM 0 HG22 THR A 43 3.569 7.776 -7.532 1.00 0.00 H new ATOM 0 HG23 THR A 43 3.467 9.457 -8.105 1.00 0.00 H new ATOM 427 N PHE A 44 1.712 6.649 -6.137 1.00 0.00 N ATOM 428 CA PHE A 44 1.395 5.294 -5.627 1.00 0.00 C ATOM 429 C PHE A 44 2.309 4.216 -6.222 1.00 0.00 C ATOM 430 O PHE A 44 2.394 4.049 -7.423 1.00 0.00 O ATOM 431 CB PHE A 44 -0.062 4.966 -5.976 1.00 0.00 C ATOM 432 CG PHE A 44 -0.194 4.709 -7.473 1.00 0.00 C ATOM 433 CD1 PHE A 44 -0.197 5.756 -8.360 1.00 0.00 C ATOM 434 CD2 PHE A 44 -0.372 3.424 -7.955 1.00 0.00 C ATOM 435 CE1 PHE A 44 -0.382 5.527 -9.699 1.00 0.00 C ATOM 436 CE2 PHE A 44 -0.559 3.203 -9.296 1.00 0.00 C ATOM 437 CZ PHE A 44 -0.562 4.254 -10.167 1.00 0.00 C ATOM 0 H PHE A 44 2.374 6.682 -6.912 1.00 0.00 H new ATOM 0 HA PHE A 44 1.552 5.297 -4.548 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -0.390 4.089 -5.418 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -0.710 5.792 -5.682 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -0.053 6.765 -8.002 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -0.364 2.589 -7.270 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -0.386 6.357 -10.389 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -0.704 2.197 -9.663 1.00 0.00 H new ATOM 0 HZ PHE A 44 -0.706 4.081 -11.223 1.00 0.00 H new ATOM 447 N LEU A 45 2.980 3.504 -5.339 1.00 0.00 N ATOM 448 CA LEU A 45 3.900 2.423 -5.778 1.00 0.00 C ATOM 449 C LEU A 45 3.788 1.243 -4.787 1.00 0.00 C ATOM 450 O LEU A 45 2.809 1.162 -4.068 1.00 0.00 O ATOM 451 CB LEU A 45 5.359 2.961 -5.835 1.00 0.00 C ATOM 452 CG LEU A 45 5.597 4.005 -4.738 1.00 0.00 C ATOM 453 CD1 LEU A 45 5.377 3.372 -3.366 1.00 0.00 C ATOM 454 CD2 LEU A 45 7.043 4.493 -4.828 1.00 0.00 C ATOM 0 H LEU A 45 2.922 3.634 -4.329 1.00 0.00 H new ATOM 0 HA LEU A 45 3.627 2.080 -6.776 1.00 0.00 H new ATOM 0 HB2 LEU A 45 6.061 2.135 -5.716 1.00 0.00 H new ATOM 0 HB3 LEU A 45 5.550 3.404 -6.812 1.00 0.00 H new ATOM 0 HG LEU A 45 4.905 4.836 -4.871 1.00 0.00 H new ATOM 0 HD11 LEU A 45 5.547 4.118 -2.590 1.00 0.00 H new ATOM 0 HD12 LEU A 45 4.354 3.002 -3.296 1.00 0.00 H new ATOM 0 HD13 LEU A 45 6.072 2.543 -3.232 1.00 0.00 H new ATOM 0 HD21 LEU A 45 7.225 5.237 -4.052 1.00 0.00 H new ATOM 0 HD22 LEU A 45 7.721 3.651 -4.689 1.00 0.00 H new ATOM 0 HD23 LEU A 45 7.216 4.940 -5.807 1.00 0.00 H new ATOM 466 N VAL A 46 4.776 0.354 -4.752 1.00 0.00 N ATOM 467 CA VAL A 46 4.684 -0.814 -3.791 1.00 0.00 C ATOM 468 C VAL A 46 5.754 -0.759 -2.690 1.00 0.00 C ATOM 469 O VAL A 46 6.761 -0.091 -2.814 1.00 0.00 O ATOM 470 CB VAL A 46 4.815 -2.139 -4.617 1.00 0.00 C ATOM 471 CG1 VAL A 46 5.983 -3.014 -4.123 1.00 0.00 C ATOM 472 CG2 VAL A 46 3.525 -2.939 -4.463 1.00 0.00 C ATOM 0 H VAL A 46 5.616 0.385 -5.329 1.00 0.00 H new ATOM 0 HA VAL A 46 3.721 -0.769 -3.282 1.00 0.00 H new ATOM 0 HB VAL A 46 5.002 -1.869 -5.656 1.00 0.00 H new ATOM 0 HG11 VAL A 46 6.037 -3.922 -4.724 1.00 0.00 H new ATOM 0 HG12 VAL A 46 6.917 -2.461 -4.217 1.00 0.00 H new ATOM 0 HG13 VAL A 46 5.822 -3.279 -3.078 1.00 0.00 H new ATOM 0 HG21 VAL A 46 3.601 -3.865 -5.033 1.00 0.00 H new ATOM 0 HG22 VAL A 46 3.365 -3.173 -3.410 1.00 0.00 H new ATOM 0 HG23 VAL A 46 2.686 -2.352 -4.836 1.00 0.00 H new ATOM 482 N ARG A 47 5.486 -1.488 -1.627 1.00 0.00 N ATOM 483 CA ARG A 47 6.421 -1.542 -0.475 1.00 0.00 C ATOM 484 C ARG A 47 6.573 -3.000 -0.007 1.00 0.00 C ATOM 485 O ARG A 47 5.596 -3.657 0.286 1.00 0.00 O ATOM 486 CB ARG A 47 5.791 -0.718 0.677 1.00 0.00 C ATOM 487 CG ARG A 47 6.812 0.277 1.245 1.00 0.00 C ATOM 488 CD ARG A 47 7.871 -0.484 2.038 1.00 0.00 C ATOM 489 NE ARG A 47 7.573 -0.358 3.493 1.00 0.00 N ATOM 490 CZ ARG A 47 8.209 -1.117 4.342 1.00 0.00 C ATOM 491 NH1 ARG A 47 9.368 -1.606 4.001 1.00 0.00 N ATOM 492 NH2 ARG A 47 7.666 -1.361 5.504 1.00 0.00 N ATOM 0 H ARG A 47 4.644 -2.053 -1.517 1.00 0.00 H new ATOM 0 HA ARG A 47 7.397 -1.147 -0.757 1.00 0.00 H new ATOM 0 HB2 ARG A 47 4.915 -0.181 0.312 1.00 0.00 H new ATOM 0 HB3 ARG A 47 5.448 -1.387 1.466 1.00 0.00 H new ATOM 0 HG2 ARG A 47 7.280 0.837 0.436 1.00 0.00 H new ATOM 0 HG3 ARG A 47 6.312 1.002 1.887 1.00 0.00 H new ATOM 0 HD2 ARG A 47 7.878 -1.534 1.745 1.00 0.00 H new ATOM 0 HD3 ARG A 47 8.862 -0.086 1.821 1.00 0.00 H new ATOM 0 HE ARG A 47 6.880 0.314 3.821 1.00 0.00 H new ATOM 0 HH11 ARG A 47 9.762 -1.393 3.084 1.00 0.00 H new ATOM 0 HH12 ARG A 47 9.881 -2.202 4.651 1.00 0.00 H new ATOM 0 HH21 ARG A 47 6.757 -0.960 5.737 1.00 0.00 H new ATOM 0 HH22 ARG A 47 8.150 -1.953 6.179 1.00 0.00 H new ATOM 506 N ASP A 48 7.787 -3.482 0.047 1.00 0.00 N ATOM 507 CA ASP A 48 7.988 -4.894 0.495 1.00 0.00 C ATOM 508 C ASP A 48 7.259 -5.162 1.801 1.00 0.00 C ATOM 509 O ASP A 48 7.449 -4.467 2.779 1.00 0.00 O ATOM 510 CB ASP A 48 9.483 -5.139 0.700 1.00 0.00 C ATOM 511 CG ASP A 48 9.687 -6.538 1.294 1.00 0.00 C ATOM 512 OD1 ASP A 48 9.345 -7.476 0.594 1.00 0.00 O ATOM 513 OD2 ASP A 48 10.173 -6.586 2.413 1.00 0.00 O ATOM 0 H ASP A 48 8.636 -2.970 -0.195 1.00 0.00 H new ATOM 0 HA ASP A 48 7.588 -5.562 -0.268 1.00 0.00 H new ATOM 0 HB2 ASP A 48 10.011 -5.053 -0.249 1.00 0.00 H new ATOM 0 HB3 ASP A 48 9.900 -4.384 1.366 1.00 0.00 H new ATOM 518 N ALA A 49 6.431 -6.169 1.785 1.00 0.00 N ATOM 519 CA ALA A 49 5.669 -6.517 3.008 1.00 0.00 C ATOM 520 C ALA A 49 6.348 -7.638 3.786 1.00 0.00 C ATOM 521 O ALA A 49 7.250 -7.404 4.568 1.00 0.00 O ATOM 522 CB ALA A 49 4.284 -7.007 2.572 1.00 0.00 C ATOM 0 H ALA A 49 6.252 -6.764 0.976 1.00 0.00 H new ATOM 0 HA ALA A 49 5.609 -5.638 3.650 1.00 0.00 H new ATOM 0 HB1 ALA A 49 3.698 -7.271 3.452 1.00 0.00 H new ATOM 0 HB2 ALA A 49 3.775 -6.216 2.021 1.00 0.00 H new ATOM 0 HB3 ALA A 49 4.393 -7.883 1.932 1.00 0.00 H new ATOM 528 N SER A 50 5.887 -8.840 3.553 1.00 0.00 N ATOM 529 CA SER A 50 6.471 -10.015 4.252 1.00 0.00 C ATOM 530 C SER A 50 7.985 -9.900 4.375 1.00 0.00 C ATOM 531 O SER A 50 8.665 -9.561 3.427 1.00 0.00 O ATOM 532 CB SER A 50 6.140 -11.269 3.431 1.00 0.00 C ATOM 533 OG SER A 50 7.388 -11.658 2.874 1.00 0.00 O ATOM 0 H SER A 50 5.129 -9.055 2.906 1.00 0.00 H new ATOM 0 HA SER A 50 6.052 -10.068 5.257 1.00 0.00 H new ATOM 0 HB2 SER A 50 5.720 -12.056 4.057 1.00 0.00 H new ATOM 0 HB3 SER A 50 5.406 -11.055 2.654 1.00 0.00 H new ATOM 0 HG SER A 50 7.379 -11.497 1.907 1.00 0.00 H new ATOM 539 N THR A 51 8.485 -10.191 5.548 1.00 0.00 N ATOM 540 CA THR A 51 9.950 -10.107 5.757 1.00 0.00 C ATOM 541 C THR A 51 10.670 -11.165 4.928 1.00 0.00 C ATOM 542 O THR A 51 11.884 -11.183 4.854 1.00 0.00 O ATOM 543 CB THR A 51 10.243 -10.359 7.243 1.00 0.00 C ATOM 544 OG1 THR A 51 10.329 -11.765 7.373 1.00 0.00 O ATOM 545 CG2 THR A 51 9.039 -9.961 8.116 1.00 0.00 C ATOM 0 H THR A 51 7.942 -10.481 6.361 1.00 0.00 H new ATOM 0 HA THR A 51 10.301 -9.121 5.452 1.00 0.00 H new ATOM 0 HB THR A 51 11.131 -9.803 7.544 1.00 0.00 H new ATOM 0 HG1 THR A 51 10.518 -11.996 8.306 1.00 0.00 H new ATOM 0 HG21 THR A 51 9.272 -10.149 9.164 1.00 0.00 H new ATOM 0 HG22 THR A 51 8.823 -8.902 7.977 1.00 0.00 H new ATOM 0 HG23 THR A 51 8.169 -10.550 7.826 1.00 0.00 H new ATOM 553 N LYS A 52 9.904 -12.026 4.315 1.00 0.00 N ATOM 554 CA LYS A 52 10.518 -13.093 3.484 1.00 0.00 C ATOM 555 C LYS A 52 9.599 -13.477 2.327 1.00 0.00 C ATOM 556 O LYS A 52 9.957 -13.337 1.175 1.00 0.00 O ATOM 557 CB LYS A 52 10.740 -14.333 4.366 1.00 0.00 C ATOM 558 CG LYS A 52 11.723 -15.276 3.667 1.00 0.00 C ATOM 559 CD LYS A 52 11.716 -16.632 4.378 1.00 0.00 C ATOM 560 CE LYS A 52 12.778 -17.532 3.745 1.00 0.00 C ATOM 561 NZ LYS A 52 13.012 -18.737 4.591 1.00 0.00 N ATOM 0 H LYS A 52 8.885 -12.035 4.355 1.00 0.00 H new ATOM 0 HA LYS A 52 11.461 -12.726 3.078 1.00 0.00 H new ATOM 0 HB2 LYS A 52 11.131 -14.037 5.339 1.00 0.00 H new ATOM 0 HB3 LYS A 52 9.793 -14.842 4.544 1.00 0.00 H new ATOM 0 HG2 LYS A 52 11.444 -15.400 2.621 1.00 0.00 H new ATOM 0 HG3 LYS A 52 12.726 -14.850 3.682 1.00 0.00 H new ATOM 0 HD2 LYS A 52 11.919 -16.501 5.441 1.00 0.00 H new ATOM 0 HD3 LYS A 52 10.733 -17.095 4.296 1.00 0.00 H new ATOM 0 HE2 LYS A 52 12.458 -17.836 2.748 1.00 0.00 H new ATOM 0 HE3 LYS A 52 13.709 -16.978 3.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 13.736 -19.338 4.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 13.338 -18.442 5.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 12.126 -19.274 4.683 1.00 0.00 H new ATOM 575 N MET A 53 8.424 -13.954 2.658 1.00 0.00 N ATOM 576 CA MET A 53 7.468 -14.350 1.591 1.00 0.00 C ATOM 577 C MET A 53 6.110 -14.710 2.182 1.00 0.00 C ATOM 578 O MET A 53 5.247 -15.220 1.495 1.00 0.00 O ATOM 579 CB MET A 53 8.033 -15.588 0.874 1.00 0.00 C ATOM 580 CG MET A 53 8.219 -16.722 1.890 1.00 0.00 C ATOM 581 SD MET A 53 7.198 -18.201 1.682 1.00 0.00 S ATOM 582 CE MET A 53 8.173 -19.300 2.739 1.00 0.00 C ATOM 0 H MET A 53 8.092 -14.084 3.614 1.00 0.00 H new ATOM 0 HA MET A 53 7.339 -13.515 0.902 1.00 0.00 H new ATOM 0 HB2 MET A 53 7.356 -15.903 0.080 1.00 0.00 H new ATOM 0 HB3 MET A 53 8.986 -15.346 0.403 1.00 0.00 H new ATOM 0 HG2 MET A 53 9.265 -17.028 1.865 1.00 0.00 H new ATOM 0 HG3 MET A 53 8.029 -16.318 2.884 1.00 0.00 H new ATOM 0 HE1 MET A 53 7.715 -20.289 2.757 1.00 0.00 H new ATOM 0 HE2 MET A 53 9.187 -19.377 2.347 1.00 0.00 H new ATOM 0 HE3 MET A 53 8.205 -18.897 3.751 1.00 0.00 H new ATOM 592 N HIS A 54 5.943 -14.438 3.447 1.00 0.00 N ATOM 593 CA HIS A 54 4.646 -14.760 4.093 1.00 0.00 C ATOM 594 C HIS A 54 3.513 -13.942 3.486 1.00 0.00 C ATOM 595 O HIS A 54 2.352 -14.219 3.717 1.00 0.00 O ATOM 596 CB HIS A 54 4.750 -14.426 5.590 1.00 0.00 C ATOM 597 CG HIS A 54 5.190 -15.672 6.360 1.00 0.00 C ATOM 598 ND1 HIS A 54 4.505 -16.705 6.501 1.00 0.00 N ATOM 599 CD2 HIS A 54 6.371 -15.918 7.032 1.00 0.00 C ATOM 600 CE1 HIS A 54 5.116 -17.578 7.187 1.00 0.00 C ATOM 601 NE2 HIS A 54 6.324 -17.166 7.574 1.00 0.00 N ATOM 0 H HIS A 54 6.643 -14.011 4.054 1.00 0.00 H new ATOM 0 HA HIS A 54 4.431 -15.818 3.940 1.00 0.00 H new ATOM 0 HB2 HIS A 54 5.465 -13.618 5.745 1.00 0.00 H new ATOM 0 HB3 HIS A 54 3.788 -14.075 5.963 1.00 0.00 H new ATOM 0 HD2 HIS A 54 7.200 -15.230 7.114 1.00 0.00 H new ATOM 0 HE1 HIS A 54 4.705 -18.546 7.431 1.00 0.00 H new ATOM 0 HE2 HIS A 54 7.026 -17.656 8.129 1.00 0.00 H new ATOM 609 N GLY A 55 3.868 -12.950 2.718 1.00 0.00 N ATOM 610 CA GLY A 55 2.815 -12.101 2.087 1.00 0.00 C ATOM 611 C GLY A 55 3.298 -11.542 0.744 1.00 0.00 C ATOM 612 O GLY A 55 4.363 -11.888 0.271 1.00 0.00 O ATOM 0 H GLY A 55 4.830 -12.691 2.501 1.00 0.00 H new ATOM 0 HA2 GLY A 55 1.909 -12.689 1.937 1.00 0.00 H new ATOM 0 HA3 GLY A 55 2.555 -11.280 2.755 1.00 0.00 H new ATOM 616 N ASP A 56 2.500 -10.686 0.159 1.00 0.00 N ATOM 617 CA ASP A 56 2.888 -10.099 -1.138 1.00 0.00 C ATOM 618 C ASP A 56 3.648 -8.783 -0.931 1.00 0.00 C ATOM 619 O ASP A 56 4.844 -8.789 -0.721 1.00 0.00 O ATOM 620 CB ASP A 56 1.605 -9.847 -1.937 1.00 0.00 C ATOM 621 CG ASP A 56 1.353 -11.033 -2.871 1.00 0.00 C ATOM 622 OD1 ASP A 56 1.654 -12.134 -2.440 1.00 0.00 O ATOM 623 OD2 ASP A 56 0.873 -10.772 -3.962 1.00 0.00 O ATOM 0 H ASP A 56 1.602 -10.375 0.529 1.00 0.00 H new ATOM 0 HA ASP A 56 3.548 -10.780 -1.675 1.00 0.00 H new ATOM 0 HB2 ASP A 56 0.761 -9.716 -1.260 1.00 0.00 H new ATOM 0 HB3 ASP A 56 1.697 -8.927 -2.514 1.00 0.00 H new ATOM 628 N TYR A 57 2.943 -7.677 -0.998 1.00 0.00 N ATOM 629 CA TYR A 57 3.607 -6.379 -0.807 1.00 0.00 C ATOM 630 C TYR A 57 2.709 -5.430 -0.042 1.00 0.00 C ATOM 631 O TYR A 57 1.789 -5.855 0.628 1.00 0.00 O ATOM 632 CB TYR A 57 3.921 -5.807 -2.186 1.00 0.00 C ATOM 633 CG TYR A 57 4.781 -6.825 -2.909 1.00 0.00 C ATOM 634 CD1 TYR A 57 6.135 -6.860 -2.700 1.00 0.00 C ATOM 635 CD2 TYR A 57 4.206 -7.785 -3.690 1.00 0.00 C ATOM 636 CE1 TYR A 57 6.902 -7.853 -3.250 1.00 0.00 C ATOM 637 CE2 TYR A 57 4.965 -8.781 -4.247 1.00 0.00 C ATOM 638 CZ TYR A 57 6.325 -8.825 -4.035 1.00 0.00 C ATOM 639 OH TYR A 57 7.094 -9.819 -4.600 1.00 0.00 O ATOM 0 H TYR A 57 1.940 -7.633 -1.177 1.00 0.00 H new ATOM 0 HA TYR A 57 4.523 -6.509 -0.230 1.00 0.00 H new ATOM 0 HB2 TYR A 57 3.003 -5.616 -2.741 1.00 0.00 H new ATOM 0 HB3 TYR A 57 4.444 -4.855 -2.097 1.00 0.00 H new ATOM 0 HD1 TYR A 57 6.602 -6.097 -2.095 1.00 0.00 H new ATOM 0 HD2 TYR A 57 3.142 -7.760 -3.871 1.00 0.00 H new ATOM 0 HE1 TYR A 57 7.966 -7.873 -3.066 1.00 0.00 H new ATOM 0 HE2 TYR A 57 4.493 -9.537 -4.857 1.00 0.00 H new ATOM 0 HH TYR A 57 6.521 -10.419 -5.121 1.00 0.00 H new ATOM 649 N THR A 58 2.986 -4.170 -0.149 1.00 0.00 N ATOM 650 CA THR A 58 2.159 -3.183 0.569 1.00 0.00 C ATOM 651 C THR A 58 1.985 -1.918 -0.253 1.00 0.00 C ATOM 652 O THR A 58 2.935 -1.220 -0.548 1.00 0.00 O ATOM 653 CB THR A 58 2.867 -2.866 1.876 1.00 0.00 C ATOM 654 OG1 THR A 58 2.224 -3.668 2.845 1.00 0.00 O ATOM 655 CG2 THR A 58 2.603 -1.437 2.332 1.00 0.00 C ATOM 0 H THR A 58 3.750 -3.782 -0.703 1.00 0.00 H new ATOM 0 HA THR A 58 1.164 -3.589 0.753 1.00 0.00 H new ATOM 0 HB THR A 58 3.938 -3.025 1.753 1.00 0.00 H new ATOM 0 HG1 THR A 58 1.992 -4.535 2.451 1.00 0.00 H new ATOM 0 HG21 THR A 58 3.127 -1.252 3.270 1.00 0.00 H new ATOM 0 HG22 THR A 58 2.960 -0.741 1.573 1.00 0.00 H new ATOM 0 HG23 THR A 58 1.533 -1.294 2.480 1.00 0.00 H new ATOM 663 N LEU A 59 0.765 -1.655 -0.610 1.00 0.00 N ATOM 664 CA LEU A 59 0.468 -0.451 -1.413 1.00 0.00 C ATOM 665 C LEU A 59 0.685 0.821 -0.589 1.00 0.00 C ATOM 666 O LEU A 59 0.211 0.932 0.521 1.00 0.00 O ATOM 667 CB LEU A 59 -1.012 -0.545 -1.846 1.00 0.00 C ATOM 668 CG LEU A 59 -1.195 0.065 -3.241 1.00 0.00 C ATOM 669 CD1 LEU A 59 -0.851 -0.980 -4.299 1.00 0.00 C ATOM 670 CD2 LEU A 59 -2.659 0.466 -3.428 1.00 0.00 C ATOM 0 H LEU A 59 -0.045 -2.230 -0.376 1.00 0.00 H new ATOM 0 HA LEU A 59 1.131 -0.403 -2.277 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -1.331 -1.587 -1.852 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -1.643 -0.022 -1.127 1.00 0.00 H new ATOM 0 HG LEU A 59 -0.546 0.935 -3.341 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -0.980 -0.549 -5.292 1.00 0.00 H new ATOM 0 HD12 LEU A 59 0.184 -1.298 -4.173 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -1.511 -1.841 -4.188 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -2.794 0.900 -4.419 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -3.293 -0.415 -3.329 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -2.935 1.199 -2.670 1.00 0.00 H new ATOM 682 N THR A 60 1.420 1.750 -1.158 1.00 0.00 N ATOM 683 CA THR A 60 1.694 3.029 -0.446 1.00 0.00 C ATOM 684 C THR A 60 1.417 4.203 -1.373 1.00 0.00 C ATOM 685 O THR A 60 1.662 4.116 -2.557 1.00 0.00 O ATOM 686 CB THR A 60 3.177 3.056 -0.037 1.00 0.00 C ATOM 687 OG1 THR A 60 3.192 2.687 1.330 1.00 0.00 O ATOM 688 CG2 THR A 60 3.744 4.496 -0.054 1.00 0.00 C ATOM 0 H THR A 60 1.839 1.672 -2.085 1.00 0.00 H new ATOM 0 HA THR A 60 1.054 3.103 0.433 1.00 0.00 H new ATOM 0 HB THR A 60 3.751 2.419 -0.710 1.00 0.00 H new ATOM 0 HG1 THR A 60 3.276 1.714 1.405 1.00 0.00 H new ATOM 0 HG21 THR A 60 4.793 4.477 0.240 1.00 0.00 H new ATOM 0 HG22 THR A 60 3.656 4.910 -1.059 1.00 0.00 H new ATOM 0 HG23 THR A 60 3.183 5.116 0.645 1.00 0.00 H new ATOM 696 N LEU A 61 0.903 5.274 -0.822 1.00 0.00 N ATOM 697 CA LEU A 61 0.603 6.469 -1.669 1.00 0.00 C ATOM 698 C LEU A 61 1.104 7.729 -1.005 1.00 0.00 C ATOM 699 O LEU A 61 1.121 7.835 0.205 1.00 0.00 O ATOM 700 CB LEU A 61 -0.923 6.614 -1.899 1.00 0.00 C ATOM 701 CG LEU A 61 -1.689 5.416 -1.340 1.00 0.00 C ATOM 702 CD1 LEU A 61 -3.186 5.721 -1.412 1.00 0.00 C ATOM 703 CD2 LEU A 61 -1.397 4.168 -2.189 1.00 0.00 C ATOM 0 H LEU A 61 0.680 5.373 0.168 1.00 0.00 H new ATOM 0 HA LEU A 61 1.107 6.325 -2.625 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -1.278 7.528 -1.424 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -1.124 6.710 -2.966 1.00 0.00 H new ATOM 0 HG LEU A 61 -1.382 5.233 -0.310 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -3.749 4.876 -1.017 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -3.405 6.611 -0.822 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -3.473 5.894 -2.449 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -1.946 3.317 -1.786 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -1.709 4.347 -3.218 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -0.328 3.954 -2.166 1.00 0.00 H new ATOM 715 N ARG A 62 1.506 8.671 -1.813 1.00 0.00 N ATOM 716 CA ARG A 62 2.012 9.935 -1.261 1.00 0.00 C ATOM 717 C ARG A 62 0.934 10.994 -1.273 1.00 0.00 C ATOM 718 O ARG A 62 0.578 11.498 -2.323 1.00 0.00 O ATOM 719 CB ARG A 62 3.168 10.398 -2.151 1.00 0.00 C ATOM 720 CG ARG A 62 3.845 11.627 -1.534 1.00 0.00 C ATOM 721 CD ARG A 62 4.495 11.251 -0.193 1.00 0.00 C ATOM 722 NE ARG A 62 5.827 11.911 -0.101 1.00 0.00 N ATOM 723 CZ ARG A 62 6.377 12.083 1.069 1.00 0.00 C ATOM 724 NH1 ARG A 62 6.952 11.067 1.650 1.00 0.00 N ATOM 725 NH2 ARG A 62 6.334 13.266 1.619 1.00 0.00 N ATOM 0 H ARG A 62 1.502 8.609 -2.831 1.00 0.00 H new ATOM 0 HA ARG A 62 2.335 9.783 -0.231 1.00 0.00 H new ATOM 0 HB2 ARG A 62 3.894 9.593 -2.267 1.00 0.00 H new ATOM 0 HB3 ARG A 62 2.797 10.639 -3.147 1.00 0.00 H new ATOM 0 HG2 ARG A 62 4.600 12.018 -2.217 1.00 0.00 H new ATOM 0 HG3 ARG A 62 3.111 12.419 -1.383 1.00 0.00 H new ATOM 0 HD2 ARG A 62 3.860 11.566 0.635 1.00 0.00 H new ATOM 0 HD3 ARG A 62 4.604 10.169 -0.117 1.00 0.00 H new ATOM 0 HE ARG A 62 6.305 12.226 -0.945 1.00 0.00 H new ATOM 0 HH11 ARG A 62 6.966 10.157 1.189 1.00 0.00 H new ATOM 0 HH12 ARG A 62 7.388 11.182 2.565 1.00 0.00 H new ATOM 0 HH21 ARG A 62 5.876 14.037 1.134 1.00 0.00 H new ATOM 0 HH22 ARG A 62 6.759 13.419 2.534 1.00 0.00 H new ATOM 739 N LYS A 63 0.428 11.315 -0.101 1.00 0.00 N ATOM 740 CA LYS A 63 -0.638 12.348 -0.018 1.00 0.00 C ATOM 741 C LYS A 63 -0.052 13.747 -0.100 1.00 0.00 C ATOM 742 O LYS A 63 -0.618 14.695 0.409 1.00 0.00 O ATOM 743 CB LYS A 63 -1.359 12.200 1.322 1.00 0.00 C ATOM 744 CG LYS A 63 -2.874 12.267 1.097 1.00 0.00 C ATOM 745 CD LYS A 63 -3.376 10.892 0.659 1.00 0.00 C ATOM 746 CE LYS A 63 -4.750 11.040 0.002 1.00 0.00 C ATOM 747 NZ LYS A 63 -5.651 11.861 0.859 1.00 0.00 N ATOM 0 H LYS A 63 0.710 10.905 0.790 1.00 0.00 H new ATOM 0 HA LYS A 63 -1.325 12.207 -0.852 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -1.091 11.252 1.788 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -1.047 12.990 2.005 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -3.377 12.576 2.013 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -3.109 13.012 0.337 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -2.672 10.441 -0.041 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -3.441 10.225 1.519 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -4.643 11.508 -0.977 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -5.190 10.056 -0.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -6.641 11.680 0.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -5.507 11.607 1.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -5.435 12.869 0.724 1.00 0.00 H new ATOM 761 N GLY A 64 1.067 13.851 -0.737 1.00 0.00 N ATOM 762 CA GLY A 64 1.715 15.186 -0.868 1.00 0.00 C ATOM 763 C GLY A 64 2.600 15.493 0.344 1.00 0.00 C ATOM 764 O GLY A 64 3.226 16.533 0.404 1.00 0.00 O ATOM 0 H GLY A 64 1.566 13.077 -1.174 1.00 0.00 H new ATOM 0 HA2 GLY A 64 2.316 15.214 -1.777 1.00 0.00 H new ATOM 0 HA3 GLY A 64 0.950 15.956 -0.968 1.00 0.00 H new ATOM 768 N GLY A 65 2.635 14.590 1.284 1.00 0.00 N ATOM 769 CA GLY A 65 3.480 14.837 2.487 1.00 0.00 C ATOM 770 C GLY A 65 3.152 13.834 3.594 1.00 0.00 C ATOM 771 O GLY A 65 3.757 13.859 4.648 1.00 0.00 O ATOM 0 H GLY A 65 2.125 13.707 1.274 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.534 14.759 2.219 1.00 0.00 H new ATOM 0 HA3 GLY A 65 3.317 15.852 2.849 1.00 0.00 H new ATOM 775 N ASN A 66 2.196 12.973 3.329 1.00 0.00 N ATOM 776 CA ASN A 66 1.810 11.962 4.348 1.00 0.00 C ATOM 777 C ASN A 66 1.842 10.552 3.772 1.00 0.00 C ATOM 778 O ASN A 66 0.823 9.897 3.675 1.00 0.00 O ATOM 779 CB ASN A 66 0.384 12.270 4.803 1.00 0.00 C ATOM 780 CG ASN A 66 0.118 11.576 6.143 1.00 0.00 C ATOM 781 OD1 ASN A 66 0.583 10.371 6.338 1.00 0.00 O flip ATOM 782 ND2 ASN A 66 -0.515 12.123 7.024 1.00 0.00 N flip ATOM 0 H ASN A 66 1.673 12.932 2.454 1.00 0.00 H new ATOM 0 HA ASN A 66 2.516 12.009 5.177 1.00 0.00 H new ATOM 0 HB2 ASN A 66 0.247 13.347 4.905 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -0.331 11.927 4.055 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -0.882 13.064 6.880 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -0.680 11.641 7.908 1.00 0.00 H new ATOM 789 N ASN A 67 3.014 10.112 3.396 1.00 0.00 N ATOM 790 CA ASN A 67 3.136 8.742 2.824 1.00 0.00 C ATOM 791 C ASN A 67 2.306 7.767 3.632 1.00 0.00 C ATOM 792 O ASN A 67 2.721 7.321 4.682 1.00 0.00 O ATOM 793 CB ASN A 67 4.607 8.310 2.902 1.00 0.00 C ATOM 794 CG ASN A 67 4.769 6.955 2.210 1.00 0.00 C ATOM 795 OD1 ASN A 67 4.061 6.010 2.498 1.00 0.00 O ATOM 796 ND2 ASN A 67 5.685 6.819 1.291 1.00 0.00 N ATOM 0 H ASN A 67 3.885 10.639 3.460 1.00 0.00 H new ATOM 0 HA ASN A 67 2.786 8.748 1.792 1.00 0.00 H new ATOM 0 HB2 ASN A 67 5.243 9.055 2.424 1.00 0.00 H new ATOM 0 HB3 ASN A 67 4.924 8.241 3.943 1.00 0.00 H new ATOM 0 HD21 ASN A 67 5.804 5.923 0.818 1.00 0.00 H new ATOM 0 HD22 ASN A 67 6.282 7.609 1.045 1.00 0.00 H new ATOM 803 N LYS A 68 1.144 7.448 3.134 1.00 0.00 N ATOM 804 CA LYS A 68 0.284 6.495 3.889 1.00 0.00 C ATOM 805 C LYS A 68 0.564 5.065 3.474 1.00 0.00 C ATOM 806 O LYS A 68 1.040 4.817 2.382 1.00 0.00 O ATOM 807 CB LYS A 68 -1.188 6.820 3.614 1.00 0.00 C ATOM 808 CG LYS A 68 -1.315 7.472 2.241 1.00 0.00 C ATOM 809 CD LYS A 68 -2.781 7.432 1.800 1.00 0.00 C ATOM 810 CE LYS A 68 -3.668 7.950 2.939 1.00 0.00 C ATOM 811 NZ LYS A 68 -5.022 8.306 2.431 1.00 0.00 N ATOM 0 H LYS A 68 0.759 7.797 2.256 1.00 0.00 H new ATOM 0 HA LYS A 68 0.504 6.597 4.952 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -1.786 5.910 3.653 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -1.574 7.489 4.383 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -0.962 8.503 2.280 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -0.690 6.949 1.517 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -2.921 8.043 0.908 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -3.066 6.413 1.537 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -3.754 7.189 3.715 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -3.205 8.823 3.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -5.425 9.064 3.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -4.949 8.632 1.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -5.640 7.470 2.474 1.00 0.00 H new ATOM 825 N LEU A 69 0.256 4.147 4.359 1.00 0.00 N ATOM 826 CA LEU A 69 0.494 2.717 4.052 1.00 0.00 C ATOM 827 C LEU A 69 -0.807 1.934 3.920 1.00 0.00 C ATOM 828 O LEU A 69 -1.719 2.090 4.707 1.00 0.00 O ATOM 829 CB LEU A 69 1.298 2.116 5.208 1.00 0.00 C ATOM 830 CG LEU A 69 2.110 0.940 4.687 1.00 0.00 C ATOM 831 CD1 LEU A 69 3.487 1.444 4.242 1.00 0.00 C ATOM 832 CD2 LEU A 69 2.282 -0.088 5.809 1.00 0.00 C ATOM 0 H LEU A 69 -0.149 4.334 5.276 1.00 0.00 H new ATOM 0 HA LEU A 69 1.025 2.653 3.102 1.00 0.00 H new ATOM 0 HB2 LEU A 69 1.959 2.869 5.638 1.00 0.00 H new ATOM 0 HB3 LEU A 69 0.628 1.788 6.003 1.00 0.00 H new ATOM 0 HG LEU A 69 1.597 0.477 3.844 1.00 0.00 H new ATOM 0 HD11 LEU A 69 4.077 0.608 3.867 1.00 0.00 H new ATOM 0 HD12 LEU A 69 3.365 2.185 3.452 1.00 0.00 H new ATOM 0 HD13 LEU A 69 4.000 1.898 5.090 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.863 -0.934 5.442 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.803 0.373 6.648 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.302 -0.436 6.137 1.00 0.00 H new ATOM 844 N ILE A 70 -0.852 1.100 2.918 1.00 0.00 N ATOM 845 CA ILE A 70 -2.060 0.274 2.679 1.00 0.00 C ATOM 846 C ILE A 70 -1.628 -1.150 2.368 1.00 0.00 C ATOM 847 O ILE A 70 -1.006 -1.406 1.356 1.00 0.00 O ATOM 848 CB ILE A 70 -2.813 0.856 1.490 1.00 0.00 C ATOM 849 CG1 ILE A 70 -3.602 2.071 1.936 1.00 0.00 C ATOM 850 CG2 ILE A 70 -3.789 -0.206 0.941 1.00 0.00 C ATOM 851 CD1 ILE A 70 -3.442 3.159 0.887 1.00 0.00 C ATOM 0 H ILE A 70 -0.094 0.957 2.250 1.00 0.00 H new ATOM 0 HA ILE A 70 -2.705 0.271 3.558 1.00 0.00 H new ATOM 0 HB ILE A 70 -2.103 1.146 0.715 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -4.654 1.815 2.060 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -3.243 2.422 2.904 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -4.332 0.204 0.089 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -3.229 -1.086 0.625 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -4.497 -0.487 1.721 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -4.003 4.043 1.191 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -2.387 3.416 0.787 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -3.820 2.800 -0.070 1.00 0.00 H new ATOM 863 N LYS A 71 -1.969 -2.052 3.239 1.00 0.00 N ATOM 864 CA LYS A 71 -1.581 -3.466 3.017 1.00 0.00 C ATOM 865 C LYS A 71 -2.363 -4.141 1.890 1.00 0.00 C ATOM 866 O LYS A 71 -3.500 -3.813 1.616 1.00 0.00 O ATOM 867 CB LYS A 71 -1.842 -4.243 4.319 1.00 0.00 C ATOM 868 CG LYS A 71 -1.235 -3.480 5.498 1.00 0.00 C ATOM 869 CD LYS A 71 -2.364 -2.938 6.376 1.00 0.00 C ATOM 870 CE LYS A 71 -1.763 -2.079 7.489 1.00 0.00 C ATOM 871 NZ LYS A 71 -2.828 -1.605 8.417 1.00 0.00 N ATOM 0 H LYS A 71 -2.498 -1.872 4.092 1.00 0.00 H new ATOM 0 HA LYS A 71 -0.530 -3.474 2.728 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -2.914 -4.373 4.469 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -1.406 -5.240 4.254 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -0.589 -4.138 6.079 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -0.613 -2.661 5.136 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -3.056 -2.347 5.776 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -2.936 -3.761 6.804 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -1.022 -2.656 8.042 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -1.243 -1.224 7.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -2.402 -1.023 9.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -3.521 -1.036 7.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -3.306 -2.424 8.844 1.00 0.00 H new ATOM 885 N ILE A 72 -1.700 -5.074 1.259 1.00 0.00 N ATOM 886 CA ILE A 72 -2.313 -5.833 0.141 1.00 0.00 C ATOM 887 C ILE A 72 -2.684 -7.219 0.688 1.00 0.00 C ATOM 888 O ILE A 72 -1.861 -7.846 1.326 1.00 0.00 O ATOM 889 CB ILE A 72 -1.235 -5.995 -0.948 1.00 0.00 C ATOM 890 CG1 ILE A 72 -1.137 -4.723 -1.815 1.00 0.00 C ATOM 891 CG2 ILE A 72 -1.576 -7.214 -1.829 1.00 0.00 C ATOM 892 CD1 ILE A 72 -2.243 -4.687 -2.887 1.00 0.00 C ATOM 0 H ILE A 72 -0.741 -5.343 1.479 1.00 0.00 H new ATOM 0 HA ILE A 72 -3.192 -5.332 -0.265 1.00 0.00 H new ATOM 0 HB ILE A 72 -0.269 -6.152 -0.467 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -1.215 -3.841 -1.180 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -0.160 -4.683 -2.297 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -0.814 -7.330 -2.600 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -1.607 -8.112 -1.212 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -2.548 -7.063 -2.299 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -2.145 -3.778 -3.480 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -2.148 -5.557 -3.537 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -3.220 -4.701 -2.403 1.00 0.00 H new ATOM 904 N PHE A 73 -3.892 -7.689 0.442 1.00 0.00 N ATOM 905 CA PHE A 73 -4.251 -9.036 0.982 1.00 0.00 C ATOM 906 C PHE A 73 -4.040 -10.143 -0.049 1.00 0.00 C ATOM 907 O PHE A 73 -4.765 -10.250 -1.018 1.00 0.00 O ATOM 908 CB PHE A 73 -5.729 -9.020 1.430 1.00 0.00 C ATOM 909 CG PHE A 73 -6.236 -7.571 1.503 1.00 0.00 C ATOM 910 CD1 PHE A 73 -5.518 -6.609 2.195 1.00 0.00 C ATOM 911 CD2 PHE A 73 -7.401 -7.199 0.855 1.00 0.00 C ATOM 912 CE1 PHE A 73 -5.955 -5.299 2.231 1.00 0.00 C ATOM 913 CE2 PHE A 73 -7.835 -5.887 0.892 1.00 0.00 C ATOM 914 CZ PHE A 73 -7.110 -4.938 1.579 1.00 0.00 C ATOM 0 H PHE A 73 -4.619 -7.212 -0.092 1.00 0.00 H new ATOM 0 HA PHE A 73 -3.596 -9.247 1.827 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -6.337 -9.593 0.730 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -5.828 -9.499 2.404 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -4.610 -6.885 2.710 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -7.975 -7.939 0.317 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -5.388 -4.557 2.773 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -8.744 -5.605 0.381 1.00 0.00 H new ATOM 0 HZ PHE A 73 -7.448 -3.913 1.605 1.00 0.00 H new ATOM 924 N HIS A 74 -3.031 -10.944 0.195 1.00 0.00 N ATOM 925 CA HIS A 74 -2.709 -12.069 -0.725 1.00 0.00 C ATOM 926 C HIS A 74 -3.025 -13.399 -0.029 1.00 0.00 C ATOM 927 O HIS A 74 -3.293 -13.414 1.157 1.00 0.00 O ATOM 928 CB HIS A 74 -1.199 -12.002 -1.031 1.00 0.00 C ATOM 929 CG HIS A 74 -0.662 -13.408 -1.293 1.00 0.00 C ATOM 930 ND1 HIS A 74 -0.132 -14.142 -0.432 1.00 0.00 N ATOM 931 CD2 HIS A 74 -0.653 -14.142 -2.459 1.00 0.00 C ATOM 932 CE1 HIS A 74 0.212 -15.258 -0.923 1.00 0.00 C ATOM 933 NE2 HIS A 74 -0.081 -15.354 -2.220 1.00 0.00 N ATOM 0 H HIS A 74 -2.413 -10.862 1.002 1.00 0.00 H new ATOM 0 HA HIS A 74 -3.294 -11.998 -1.642 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -1.022 -11.367 -1.899 1.00 0.00 H new ATOM 0 HB3 HIS A 74 -0.668 -11.550 -0.193 1.00 0.00 H new ATOM 0 HD1 HIS A 74 0.006 -13.876 0.543 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -1.038 -13.809 -3.411 1.00 0.00 H new ATOM 0 HE1 HIS A 74 0.689 -16.043 -0.355 1.00 0.00 H new ATOM 941 N ARG A 75 -2.995 -14.490 -0.769 1.00 0.00 N ATOM 942 CA ARG A 75 -3.296 -15.809 -0.134 1.00 0.00 C ATOM 943 C ARG A 75 -2.320 -16.891 -0.597 1.00 0.00 C ATOM 944 O ARG A 75 -1.556 -17.409 0.193 1.00 0.00 O ATOM 945 CB ARG A 75 -4.722 -16.230 -0.530 1.00 0.00 C ATOM 946 CG ARG A 75 -5.147 -17.451 0.302 1.00 0.00 C ATOM 947 CD ARG A 75 -6.673 -17.543 0.312 1.00 0.00 C ATOM 948 NE ARG A 75 -7.077 -18.823 0.966 1.00 0.00 N ATOM 949 CZ ARG A 75 -8.045 -18.819 1.847 1.00 0.00 C ATOM 950 NH1 ARG A 75 -7.772 -18.505 3.086 1.00 0.00 N ATOM 951 NH2 ARG A 75 -9.252 -19.131 1.459 1.00 0.00 N ATOM 0 H ARG A 75 -2.779 -14.520 -1.765 1.00 0.00 H new ATOM 0 HA ARG A 75 -3.201 -15.701 0.946 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -5.415 -15.405 -0.365 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -4.760 -16.470 -1.593 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -4.718 -18.360 -0.119 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -4.769 -17.362 1.320 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -7.098 -16.695 0.849 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -7.060 -17.502 -0.706 1.00 0.00 H new ATOM 0 HE ARG A 75 -6.602 -19.694 0.728 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -6.817 -18.268 3.353 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -8.514 -18.497 3.785 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -9.428 -19.372 0.484 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -10.019 -19.133 2.131 1.00 0.00 H new ATOM 965 N ASP A 76 -2.367 -17.216 -1.868 1.00 0.00 N ATOM 966 CA ASP A 76 -1.445 -18.267 -2.395 1.00 0.00 C ATOM 967 C ASP A 76 -0.822 -17.844 -3.719 1.00 0.00 C ATOM 968 O ASP A 76 -0.016 -18.558 -4.284 1.00 0.00 O ATOM 969 CB ASP A 76 -2.257 -19.543 -2.625 1.00 0.00 C ATOM 970 CG ASP A 76 -1.628 -20.696 -1.839 1.00 0.00 C ATOM 971 OD1 ASP A 76 -1.924 -20.770 -0.659 1.00 0.00 O ATOM 972 OD2 ASP A 76 -0.890 -21.438 -2.466 1.00 0.00 O ATOM 0 H ASP A 76 -2.998 -16.803 -2.555 1.00 0.00 H new ATOM 0 HA ASP A 76 -0.645 -18.426 -1.673 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -3.289 -19.392 -2.308 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -2.282 -19.784 -3.688 1.00 0.00 H new ATOM 977 N GLY A 77 -1.203 -16.695 -4.190 1.00 0.00 N ATOM 978 CA GLY A 77 -0.640 -16.210 -5.480 1.00 0.00 C ATOM 979 C GLY A 77 -1.568 -15.170 -6.093 1.00 0.00 C ATOM 980 O GLY A 77 -1.204 -14.477 -7.023 1.00 0.00 O ATOM 0 H GLY A 77 -1.876 -16.072 -3.743 1.00 0.00 H new ATOM 0 HA2 GLY A 77 0.347 -15.778 -5.316 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -0.512 -17.046 -6.168 1.00 0.00 H new ATOM 984 N LYS A 78 -2.751 -15.085 -5.556 1.00 0.00 N ATOM 985 CA LYS A 78 -3.724 -14.109 -6.078 1.00 0.00 C ATOM 986 C LYS A 78 -3.644 -12.815 -5.281 1.00 0.00 C ATOM 987 O LYS A 78 -2.707 -12.613 -4.538 1.00 0.00 O ATOM 988 CB LYS A 78 -5.149 -14.711 -5.965 1.00 0.00 C ATOM 989 CG LYS A 78 -5.130 -15.957 -5.061 1.00 0.00 C ATOM 990 CD LYS A 78 -4.441 -17.119 -5.794 1.00 0.00 C ATOM 991 CE LYS A 78 -5.473 -18.209 -6.094 1.00 0.00 C ATOM 992 NZ LYS A 78 -6.539 -17.683 -6.993 1.00 0.00 N ATOM 0 H LYS A 78 -3.080 -15.654 -4.776 1.00 0.00 H new ATOM 0 HA LYS A 78 -3.498 -13.889 -7.121 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -5.834 -13.968 -5.558 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -5.519 -14.977 -6.955 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -4.603 -15.737 -4.133 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -6.148 -16.238 -4.791 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -3.990 -16.764 -6.721 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -3.635 -17.524 -5.182 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -4.983 -19.063 -6.561 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -5.916 -18.565 -5.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -7.015 -18.476 -7.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -7.233 -17.148 -6.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -6.114 -17.057 -7.706 1.00 0.00 H new ATOM 1006 N TYR A 79 -4.623 -11.957 -5.449 1.00 0.00 N ATOM 1007 CA TYR A 79 -4.601 -10.674 -4.701 1.00 0.00 C ATOM 1008 C TYR A 79 -5.947 -10.363 -4.101 1.00 0.00 C ATOM 1009 O TYR A 79 -6.963 -10.804 -4.589 1.00 0.00 O ATOM 1010 CB TYR A 79 -4.244 -9.557 -5.681 1.00 0.00 C ATOM 1011 CG TYR A 79 -2.746 -9.579 -5.934 1.00 0.00 C ATOM 1012 CD1 TYR A 79 -2.193 -10.541 -6.749 1.00 0.00 C ATOM 1013 CD2 TYR A 79 -1.928 -8.636 -5.359 1.00 0.00 C ATOM 1014 CE1 TYR A 79 -0.841 -10.562 -6.989 1.00 0.00 C ATOM 1015 CE2 TYR A 79 -0.572 -8.652 -5.596 1.00 0.00 C ATOM 1016 CZ TYR A 79 -0.014 -9.617 -6.415 1.00 0.00 C ATOM 1017 OH TYR A 79 1.346 -9.635 -6.655 1.00 0.00 O ATOM 0 H TYR A 79 -5.424 -12.093 -6.065 1.00 0.00 H new ATOM 0 HA TYR A 79 -3.872 -10.753 -3.895 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -4.786 -9.691 -6.617 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -4.543 -8.591 -5.275 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -2.829 -11.286 -7.204 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -2.352 -7.878 -4.717 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -0.422 -11.323 -7.631 1.00 0.00 H new ATOM 0 HE2 TYR A 79 0.061 -7.906 -5.139 1.00 0.00 H new ATOM 0 HH TYR A 79 1.809 -10.030 -5.887 1.00 0.00 H new ATOM 1027 N GLY A 80 -5.921 -9.598 -3.049 1.00 0.00 N ATOM 1028 CA GLY A 80 -7.184 -9.220 -2.373 1.00 0.00 C ATOM 1029 C GLY A 80 -7.252 -7.713 -2.260 1.00 0.00 C ATOM 1030 O GLY A 80 -6.489 -7.113 -1.536 1.00 0.00 O ATOM 0 H GLY A 80 -5.073 -9.217 -2.628 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -8.039 -9.594 -2.937 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -7.231 -9.674 -1.383 1.00 0.00 H new ATOM 1034 N PHE A 81 -8.153 -7.131 -2.992 1.00 0.00 N ATOM 1035 CA PHE A 81 -8.293 -5.662 -2.947 1.00 0.00 C ATOM 1036 C PHE A 81 -9.727 -5.267 -3.207 1.00 0.00 C ATOM 1037 O PHE A 81 -10.187 -4.232 -2.768 1.00 0.00 O ATOM 1038 CB PHE A 81 -7.411 -5.058 -4.045 1.00 0.00 C ATOM 1039 CG PHE A 81 -6.593 -3.921 -3.438 1.00 0.00 C ATOM 1040 CD1 PHE A 81 -5.650 -4.181 -2.463 1.00 0.00 C ATOM 1041 CD2 PHE A 81 -6.836 -2.611 -3.802 1.00 0.00 C ATOM 1042 CE1 PHE A 81 -4.971 -3.155 -1.857 1.00 0.00 C ATOM 1043 CE2 PHE A 81 -6.153 -1.581 -3.193 1.00 0.00 C ATOM 1044 CZ PHE A 81 -5.220 -1.856 -2.218 1.00 0.00 C ATOM 0 H PHE A 81 -8.798 -7.612 -3.619 1.00 0.00 H new ATOM 0 HA PHE A 81 -7.994 -5.299 -1.964 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -6.751 -5.819 -4.462 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -8.027 -4.686 -4.864 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -5.445 -5.202 -2.175 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -7.565 -2.393 -4.568 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -4.238 -3.371 -1.093 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -6.349 -0.558 -3.480 1.00 0.00 H new ATOM 0 HZ PHE A 81 -4.685 -1.049 -1.738 1.00 0.00 H new ATOM 1054 N SER A 82 -10.405 -6.111 -3.917 1.00 0.00 N ATOM 1055 CA SER A 82 -11.826 -5.834 -4.240 1.00 0.00 C ATOM 1056 C SER A 82 -12.647 -7.101 -4.155 1.00 0.00 C ATOM 1057 O SER A 82 -13.489 -7.248 -3.292 1.00 0.00 O ATOM 1058 CB SER A 82 -11.901 -5.296 -5.677 1.00 0.00 C ATOM 1059 OG SER A 82 -11.175 -6.246 -6.442 1.00 0.00 O ATOM 0 H SER A 82 -10.037 -6.986 -4.291 1.00 0.00 H new ATOM 0 HA SER A 82 -12.220 -5.108 -3.528 1.00 0.00 H new ATOM 0 HB2 SER A 82 -12.933 -5.214 -6.018 1.00 0.00 H new ATOM 0 HB3 SER A 82 -11.460 -4.302 -5.754 1.00 0.00 H new ATOM 0 HG SER A 82 -11.754 -6.614 -7.141 1.00 0.00 H new ATOM 1065 N ASP A 83 -12.386 -7.992 -5.052 1.00 0.00 N ATOM 1066 CA ASP A 83 -13.135 -9.265 -5.054 1.00 0.00 C ATOM 1067 C ASP A 83 -12.558 -10.221 -3.987 1.00 0.00 C ATOM 1068 O ASP A 83 -11.420 -10.076 -3.594 1.00 0.00 O ATOM 1069 CB ASP A 83 -12.966 -9.911 -6.446 1.00 0.00 C ATOM 1070 CG ASP A 83 -14.335 -10.021 -7.127 1.00 0.00 C ATOM 1071 OD1 ASP A 83 -14.956 -8.979 -7.265 1.00 0.00 O ATOM 1072 OD2 ASP A 83 -14.682 -11.140 -7.468 1.00 0.00 O ATOM 0 H ASP A 83 -11.685 -7.895 -5.787 1.00 0.00 H new ATOM 0 HA ASP A 83 -14.186 -9.079 -4.832 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -12.291 -9.312 -7.057 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -12.516 -10.899 -6.348 1.00 0.00 H new ATOM 1077 N PRO A 84 -13.365 -11.184 -3.522 1.00 0.00 N ATOM 1078 CA PRO A 84 -12.900 -12.136 -2.510 1.00 0.00 C ATOM 1079 C PRO A 84 -11.722 -12.962 -3.057 1.00 0.00 C ATOM 1080 O PRO A 84 -11.859 -14.126 -3.373 1.00 0.00 O ATOM 1081 CB PRO A 84 -14.130 -13.046 -2.231 1.00 0.00 C ATOM 1082 CG PRO A 84 -15.240 -12.644 -3.246 1.00 0.00 C ATOM 1083 CD PRO A 84 -14.761 -11.371 -3.962 1.00 0.00 C ATOM 0 HA PRO A 84 -12.542 -11.644 -1.606 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -13.865 -14.097 -2.347 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -14.480 -12.916 -1.207 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -15.415 -13.446 -3.963 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -16.184 -12.464 -2.732 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -14.822 -11.481 -5.045 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -15.377 -10.513 -3.694 1.00 0.00 H new ATOM 1091 N LEU A 85 -10.579 -12.323 -3.146 1.00 0.00 N ATOM 1092 CA LEU A 85 -9.366 -13.015 -3.662 1.00 0.00 C ATOM 1093 C LEU A 85 -9.710 -14.011 -4.768 1.00 0.00 C ATOM 1094 O LEU A 85 -9.060 -15.025 -4.931 1.00 0.00 O ATOM 1095 CB LEU A 85 -8.678 -13.732 -2.487 1.00 0.00 C ATOM 1096 CG LEU A 85 -7.701 -12.745 -1.828 1.00 0.00 C ATOM 1097 CD1 LEU A 85 -7.598 -13.037 -0.339 1.00 0.00 C ATOM 1098 CD2 LEU A 85 -6.322 -12.895 -2.471 1.00 0.00 C ATOM 0 H LEU A 85 -10.439 -11.348 -2.881 1.00 0.00 H new ATOM 0 HA LEU A 85 -8.695 -12.276 -4.099 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -9.419 -14.074 -1.764 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -8.146 -14.615 -2.840 1.00 0.00 H new ATOM 0 HG LEU A 85 -8.066 -11.728 -1.970 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -6.904 -12.334 0.122 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -8.580 -12.932 0.121 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -7.235 -14.054 -0.192 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -5.626 -12.197 -2.006 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -5.963 -13.914 -2.328 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -6.393 -12.681 -3.538 1.00 0.00 H new ATOM 1110 N THR A 86 -10.731 -13.693 -5.516 1.00 0.00 N ATOM 1111 CA THR A 86 -11.139 -14.594 -6.617 1.00 0.00 C ATOM 1112 C THR A 86 -10.326 -14.282 -7.867 1.00 0.00 C ATOM 1113 O THR A 86 -9.975 -15.165 -8.625 1.00 0.00 O ATOM 1114 CB THR A 86 -12.622 -14.357 -6.914 1.00 0.00 C ATOM 1115 OG1 THR A 86 -13.320 -15.054 -5.904 1.00 0.00 O ATOM 1116 CG2 THR A 86 -13.038 -15.050 -8.220 1.00 0.00 C ATOM 0 H THR A 86 -11.295 -12.850 -5.409 1.00 0.00 H new ATOM 0 HA THR A 86 -10.968 -15.631 -6.327 1.00 0.00 H new ATOM 0 HB THR A 86 -12.820 -13.287 -6.972 1.00 0.00 H new ATOM 0 HG1 THR A 86 -12.925 -14.848 -5.031 1.00 0.00 H new ATOM 0 HG21 THR A 86 -14.096 -14.866 -8.408 1.00 0.00 H new ATOM 0 HG22 THR A 86 -12.448 -14.653 -9.046 1.00 0.00 H new ATOM 0 HG23 THR A 86 -12.866 -16.123 -8.133 1.00 0.00 H new ATOM 1124 N PHE A 87 -10.040 -13.019 -8.057 1.00 0.00 N ATOM 1125 CA PHE A 87 -9.254 -12.619 -9.242 1.00 0.00 C ATOM 1126 C PHE A 87 -7.791 -12.893 -8.977 1.00 0.00 C ATOM 1127 O PHE A 87 -7.456 -13.903 -8.393 1.00 0.00 O ATOM 1128 CB PHE A 87 -9.477 -11.102 -9.515 1.00 0.00 C ATOM 1129 CG PHE A 87 -8.728 -10.241 -8.479 1.00 0.00 C ATOM 1130 CD1 PHE A 87 -9.132 -10.214 -7.151 1.00 0.00 C ATOM 1131 CD2 PHE A 87 -7.642 -9.463 -8.862 1.00 0.00 C ATOM 1132 CE1 PHE A 87 -8.464 -9.431 -6.234 1.00 0.00 C ATOM 1133 CE2 PHE A 87 -6.981 -8.682 -7.936 1.00 0.00 C ATOM 1134 CZ PHE A 87 -7.392 -8.666 -6.627 1.00 0.00 C ATOM 0 H PHE A 87 -10.320 -12.256 -7.440 1.00 0.00 H new ATOM 0 HA PHE A 87 -9.572 -13.188 -10.116 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -9.131 -10.854 -10.518 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -10.543 -10.875 -9.480 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -9.975 -10.810 -6.834 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -7.313 -9.470 -9.891 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -8.784 -9.419 -5.203 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -6.137 -8.081 -8.243 1.00 0.00 H new ATOM 0 HZ PHE A 87 -6.873 -8.052 -5.906 1.00 0.00 H new ATOM 1144 N ASN A 88 -6.941 -12.019 -9.390 1.00 0.00 N ATOM 1145 CA ASN A 88 -5.508 -12.280 -9.135 1.00 0.00 C ATOM 1146 C ASN A 88 -4.609 -11.174 -9.640 1.00 0.00 C ATOM 1147 O ASN A 88 -4.128 -10.361 -8.880 1.00 0.00 O ATOM 1148 CB ASN A 88 -5.121 -13.582 -9.857 1.00 0.00 C ATOM 1149 CG ASN A 88 -5.947 -13.728 -11.140 1.00 0.00 C ATOM 1150 OD1 ASN A 88 -5.560 -13.271 -12.197 1.00 0.00 O ATOM 1151 ND2 ASN A 88 -7.083 -14.363 -11.093 1.00 0.00 N ATOM 0 H ASN A 88 -7.162 -11.153 -9.882 1.00 0.00 H new ATOM 0 HA ASN A 88 -5.372 -12.348 -8.056 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -4.058 -13.574 -10.097 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -5.294 -14.437 -9.203 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -7.641 -14.474 -11.940 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -7.415 -14.750 -10.209 1.00 0.00 H new ATOM 1158 N SER A 89 -4.409 -11.152 -10.908 1.00 0.00 N ATOM 1159 CA SER A 89 -3.537 -10.109 -11.482 1.00 0.00 C ATOM 1160 C SER A 89 -3.882 -8.725 -10.990 1.00 0.00 C ATOM 1161 O SER A 89 -5.030 -8.291 -11.011 1.00 0.00 O ATOM 1162 CB SER A 89 -3.653 -10.129 -12.995 1.00 0.00 C ATOM 1163 OG SER A 89 -4.692 -11.062 -13.258 1.00 0.00 O ATOM 0 H SER A 89 -4.809 -11.809 -11.578 1.00 0.00 H new ATOM 0 HA SER A 89 -2.519 -10.333 -11.162 1.00 0.00 H new ATOM 0 HB2 SER A 89 -3.897 -9.142 -13.388 1.00 0.00 H new ATOM 0 HB3 SER A 89 -2.717 -10.435 -13.461 1.00 0.00 H new ATOM 0 HG SER A 89 -4.831 -11.132 -14.225 1.00 0.00 H new ATOM 1169 N VAL A 90 -2.867 -8.046 -10.586 1.00 0.00 N ATOM 1170 CA VAL A 90 -3.056 -6.684 -10.080 1.00 0.00 C ATOM 1171 C VAL A 90 -3.172 -5.745 -11.243 1.00 0.00 C ATOM 1172 O VAL A 90 -3.944 -4.812 -11.225 1.00 0.00 O ATOM 1173 CB VAL A 90 -1.829 -6.300 -9.237 1.00 0.00 C ATOM 1174 CG1 VAL A 90 -2.233 -5.247 -8.205 1.00 0.00 C ATOM 1175 CG2 VAL A 90 -1.310 -7.542 -8.508 1.00 0.00 C ATOM 0 H VAL A 90 -1.904 -8.381 -10.585 1.00 0.00 H new ATOM 0 HA VAL A 90 -3.959 -6.627 -9.472 1.00 0.00 H new ATOM 0 HB VAL A 90 -1.050 -5.899 -9.886 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -1.365 -4.973 -7.606 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -2.614 -4.363 -8.717 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -3.009 -5.653 -7.555 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -0.440 -7.275 -7.909 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -2.091 -7.935 -7.858 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -1.029 -8.301 -9.238 1.00 0.00 H new ATOM 1185 N VAL A 91 -2.407 -6.021 -12.252 1.00 0.00 N ATOM 1186 CA VAL A 91 -2.450 -5.163 -13.436 1.00 0.00 C ATOM 1187 C VAL A 91 -3.875 -5.083 -13.919 1.00 0.00 C ATOM 1188 O VAL A 91 -4.309 -4.080 -14.432 1.00 0.00 O ATOM 1189 CB VAL A 91 -1.583 -5.807 -14.541 1.00 0.00 C ATOM 1190 CG1 VAL A 91 -1.041 -4.713 -15.473 1.00 0.00 C ATOM 1191 CG2 VAL A 91 -0.409 -6.577 -13.907 1.00 0.00 C ATOM 0 H VAL A 91 -1.757 -6.805 -12.300 1.00 0.00 H new ATOM 0 HA VAL A 91 -2.077 -4.167 -13.199 1.00 0.00 H new ATOM 0 HB VAL A 91 -2.195 -6.502 -15.116 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -0.430 -5.169 -16.252 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -1.874 -4.180 -15.931 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -0.434 -4.013 -14.898 1.00 0.00 H new ATOM 0 HG21 VAL A 91 0.197 -7.028 -14.693 1.00 0.00 H new ATOM 0 HG22 VAL A 91 0.205 -5.890 -13.325 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -0.797 -7.359 -13.254 1.00 0.00 H new ATOM 1201 N GLU A 92 -4.578 -6.160 -13.734 1.00 0.00 N ATOM 1202 CA GLU A 92 -5.984 -6.204 -14.159 1.00 0.00 C ATOM 1203 C GLU A 92 -6.803 -5.273 -13.279 1.00 0.00 C ATOM 1204 O GLU A 92 -7.538 -4.435 -13.766 1.00 0.00 O ATOM 1205 CB GLU A 92 -6.482 -7.651 -13.978 1.00 0.00 C ATOM 1206 CG GLU A 92 -7.865 -7.806 -14.602 1.00 0.00 C ATOM 1207 CD GLU A 92 -7.720 -8.143 -16.088 1.00 0.00 C ATOM 1208 OE1 GLU A 92 -6.719 -7.720 -16.643 1.00 0.00 O ATOM 1209 OE2 GLU A 92 -8.615 -8.808 -16.582 1.00 0.00 O ATOM 0 H GLU A 92 -4.229 -7.015 -13.302 1.00 0.00 H new ATOM 0 HA GLU A 92 -6.084 -5.891 -15.198 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -5.783 -8.346 -14.444 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -6.522 -7.901 -12.918 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -8.419 -8.594 -14.092 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -8.435 -6.885 -14.481 1.00 0.00 H new ATOM 1216 N LEU A 93 -6.658 -5.437 -11.989 1.00 0.00 N ATOM 1217 CA LEU A 93 -7.418 -4.565 -11.050 1.00 0.00 C ATOM 1218 C LEU A 93 -6.927 -3.125 -11.149 1.00 0.00 C ATOM 1219 O LEU A 93 -7.621 -2.256 -11.644 1.00 0.00 O ATOM 1220 CB LEU A 93 -7.171 -5.090 -9.606 1.00 0.00 C ATOM 1221 CG LEU A 93 -7.782 -4.122 -8.558 1.00 0.00 C ATOM 1222 CD1 LEU A 93 -8.663 -4.917 -7.596 1.00 0.00 C ATOM 1223 CD2 LEU A 93 -6.666 -3.454 -7.737 1.00 0.00 C ATOM 0 H LEU A 93 -6.052 -6.130 -11.550 1.00 0.00 H new ATOM 0 HA LEU A 93 -8.479 -4.588 -11.299 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -7.612 -6.081 -9.494 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -6.100 -5.195 -9.430 1.00 0.00 H new ATOM 0 HG LEU A 93 -8.363 -3.362 -9.081 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -9.095 -4.243 -6.857 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -9.462 -5.405 -8.154 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -8.061 -5.672 -7.090 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -7.108 -2.777 -7.005 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -6.087 -4.219 -7.220 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -6.012 -2.891 -8.403 1.00 0.00 H new ATOM 1235 N ILE A 94 -5.741 -2.908 -10.670 1.00 0.00 N ATOM 1236 CA ILE A 94 -5.162 -1.549 -10.710 1.00 0.00 C ATOM 1237 C ILE A 94 -5.470 -0.844 -12.025 1.00 0.00 C ATOM 1238 O ILE A 94 -5.673 0.348 -12.048 1.00 0.00 O ATOM 1239 CB ILE A 94 -3.626 -1.689 -10.509 1.00 0.00 C ATOM 1240 CG1 ILE A 94 -3.150 -0.861 -9.299 1.00 0.00 C ATOM 1241 CG2 ILE A 94 -2.847 -1.230 -11.773 1.00 0.00 C ATOM 1242 CD1 ILE A 94 -3.649 0.601 -9.381 1.00 0.00 C ATOM 0 H ILE A 94 -5.145 -3.621 -10.250 1.00 0.00 H new ATOM 0 HA ILE A 94 -5.601 -0.939 -9.921 1.00 0.00 H new ATOM 0 HB ILE A 94 -3.423 -2.745 -10.329 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -3.512 -1.319 -8.378 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -2.061 -0.873 -9.254 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -1.776 -1.340 -11.601 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -3.142 -1.843 -12.625 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -3.075 -0.185 -11.981 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -3.295 1.156 -8.512 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -3.265 1.066 -10.289 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -4.739 0.613 -9.400 1.00 0.00 H new ATOM 1254 N ASN A 95 -5.496 -1.578 -13.095 1.00 0.00 N ATOM 1255 CA ASN A 95 -5.795 -0.926 -14.391 1.00 0.00 C ATOM 1256 C ASN A 95 -7.218 -0.400 -14.395 1.00 0.00 C ATOM 1257 O ASN A 95 -7.468 0.746 -14.749 1.00 0.00 O ATOM 1258 CB ASN A 95 -5.656 -1.958 -15.513 1.00 0.00 C ATOM 1259 CG ASN A 95 -6.312 -1.411 -16.782 1.00 0.00 C ATOM 1260 OD1 ASN A 95 -6.301 -0.223 -17.034 1.00 0.00 O ATOM 1261 ND2 ASN A 95 -6.894 -2.241 -17.602 1.00 0.00 N ATOM 0 H ASN A 95 -5.327 -2.583 -13.130 1.00 0.00 H new ATOM 0 HA ASN A 95 -5.100 -0.100 -14.541 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -4.603 -2.174 -15.697 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -6.127 -2.896 -15.221 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -7.338 -1.892 -18.451 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -6.905 -3.240 -17.394 1.00 0.00 H new ATOM 1268 N HIS A 96 -8.134 -1.243 -13.984 1.00 0.00 N ATOM 1269 CA HIS A 96 -9.548 -0.820 -13.956 1.00 0.00 C ATOM 1270 C HIS A 96 -9.723 0.410 -13.083 1.00 0.00 C ATOM 1271 O HIS A 96 -10.703 1.122 -13.204 1.00 0.00 O ATOM 1272 CB HIS A 96 -10.387 -1.965 -13.365 1.00 0.00 C ATOM 1273 CG HIS A 96 -11.493 -2.350 -14.353 1.00 0.00 C ATOM 1274 ND1 HIS A 96 -12.713 -2.380 -14.083 1.00 0.00 N ATOM 1275 CD2 HIS A 96 -11.401 -2.732 -15.678 1.00 0.00 C ATOM 1276 CE1 HIS A 96 -13.403 -2.739 -15.084 1.00 0.00 C ATOM 1277 NE2 HIS A 96 -12.650 -2.988 -16.156 1.00 0.00 N ATOM 0 H HIS A 96 -7.955 -2.197 -13.671 1.00 0.00 H new ATOM 0 HA HIS A 96 -9.868 -0.581 -14.970 1.00 0.00 H new ATOM 0 HB2 HIS A 96 -9.752 -2.827 -13.159 1.00 0.00 H new ATOM 0 HB3 HIS A 96 -10.824 -1.657 -12.415 1.00 0.00 H new ATOM 0 HD2 HIS A 96 -10.485 -2.814 -16.244 1.00 0.00 H new ATOM 0 HE1 HIS A 96 -14.479 -2.833 -15.070 1.00 0.00 H new ATOM 0 HE2 HIS A 96 -12.934 -3.290 -17.088 1.00 0.00 H new ATOM 1285 N TYR A 97 -8.764 0.647 -12.214 1.00 0.00 N ATOM 1286 CA TYR A 97 -8.866 1.832 -11.324 1.00 0.00 C ATOM 1287 C TYR A 97 -8.015 2.998 -11.820 1.00 0.00 C ATOM 1288 O TYR A 97 -8.390 4.145 -11.671 1.00 0.00 O ATOM 1289 CB TYR A 97 -8.377 1.428 -9.937 1.00 0.00 C ATOM 1290 CG TYR A 97 -9.578 0.982 -9.088 1.00 0.00 C ATOM 1291 CD1 TYR A 97 -10.617 1.857 -8.813 1.00 0.00 C ATOM 1292 CD2 TYR A 97 -9.642 -0.303 -8.589 1.00 0.00 C ATOM 1293 CE1 TYR A 97 -11.692 1.453 -8.057 1.00 0.00 C ATOM 1294 CE2 TYR A 97 -10.722 -0.705 -7.830 1.00 0.00 C ATOM 1295 CZ TYR A 97 -11.755 0.170 -7.558 1.00 0.00 C ATOM 1296 OH TYR A 97 -12.835 -0.234 -6.801 1.00 0.00 O ATOM 0 H TYR A 97 -7.929 0.074 -12.090 1.00 0.00 H new ATOM 0 HA TYR A 97 -9.905 2.160 -11.308 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -7.651 0.618 -10.016 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -7.869 2.266 -9.459 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -10.582 2.866 -9.196 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -8.842 -0.999 -8.794 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -12.494 2.147 -7.852 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -10.760 -1.713 -7.445 1.00 0.00 H new ATOM 0 HH TYR A 97 -12.715 -1.169 -6.533 1.00 0.00 H new ATOM 1306 N ARG A 98 -6.888 2.698 -12.395 1.00 0.00 N ATOM 1307 CA ARG A 98 -6.025 3.793 -12.892 1.00 0.00 C ATOM 1308 C ARG A 98 -6.826 4.715 -13.792 1.00 0.00 C ATOM 1309 O ARG A 98 -6.698 5.922 -13.729 1.00 0.00 O ATOM 1310 CB ARG A 98 -4.873 3.177 -13.699 1.00 0.00 C ATOM 1311 CG ARG A 98 -3.545 3.555 -13.036 1.00 0.00 C ATOM 1312 CD ARG A 98 -2.396 2.856 -13.765 1.00 0.00 C ATOM 1313 NE ARG A 98 -2.072 3.623 -14.999 1.00 0.00 N ATOM 1314 CZ ARG A 98 -1.918 2.988 -16.127 1.00 0.00 C ATOM 1315 NH1 ARG A 98 -2.967 2.750 -16.865 1.00 0.00 N ATOM 1316 NH2 ARG A 98 -0.720 2.615 -16.482 1.00 0.00 N ATOM 0 H ARG A 98 -6.532 1.753 -12.540 1.00 0.00 H new ATOM 0 HA ARG A 98 -5.637 4.366 -12.050 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -4.979 2.093 -13.740 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -4.897 3.539 -14.727 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -3.405 4.636 -13.066 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -3.554 3.264 -11.986 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -1.521 2.795 -13.118 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -2.677 1.834 -14.019 1.00 0.00 H new ATOM 0 HE ARG A 98 -1.971 4.637 -14.962 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -3.889 3.060 -16.556 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -2.866 2.254 -17.751 1.00 0.00 H new ATOM 0 HH21 ARG A 98 0.078 2.821 -15.880 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -0.580 2.117 -17.361 1.00 0.00 H new ATOM 1330 N ASN A 99 -7.642 4.124 -14.615 1.00 0.00 N ATOM 1331 CA ASN A 99 -8.474 4.935 -15.537 1.00 0.00 C ATOM 1332 C ASN A 99 -9.613 5.603 -14.787 1.00 0.00 C ATOM 1333 O ASN A 99 -10.278 6.479 -15.306 1.00 0.00 O ATOM 1334 CB ASN A 99 -9.079 3.986 -16.556 1.00 0.00 C ATOM 1335 CG ASN A 99 -8.559 4.325 -17.954 1.00 0.00 C ATOM 1336 OD1 ASN A 99 -7.372 4.294 -18.211 1.00 0.00 O ATOM 1337 ND2 ASN A 99 -9.412 4.656 -18.885 1.00 0.00 N ATOM 0 H ASN A 99 -7.768 3.114 -14.688 1.00 0.00 H new ATOM 0 HA ASN A 99 -7.857 5.703 -16.003 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -8.825 2.957 -16.303 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -10.166 4.060 -16.535 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -9.081 4.887 -19.822 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -10.410 4.684 -18.676 1.00 0.00 H new ATOM 1344 N GLU A 100 -9.811 5.163 -13.578 1.00 0.00 N ATOM 1345 CA GLU A 100 -10.899 5.731 -12.735 1.00 0.00 C ATOM 1346 C GLU A 100 -10.363 6.318 -11.428 1.00 0.00 C ATOM 1347 O GLU A 100 -9.660 7.309 -11.439 1.00 0.00 O ATOM 1348 CB GLU A 100 -11.876 4.598 -12.408 1.00 0.00 C ATOM 1349 CG GLU A 100 -12.338 3.969 -13.716 1.00 0.00 C ATOM 1350 CD GLU A 100 -13.720 3.345 -13.520 1.00 0.00 C ATOM 1351 OE1 GLU A 100 -13.820 2.525 -12.622 1.00 0.00 O ATOM 1352 OE2 GLU A 100 -14.598 3.723 -14.278 1.00 0.00 O ATOM 0 H GLU A 100 -9.261 4.428 -13.133 1.00 0.00 H new ATOM 0 HA GLU A 100 -11.384 6.538 -13.284 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -11.393 3.851 -11.778 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -12.730 4.983 -11.850 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -12.376 4.724 -14.502 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -11.626 3.209 -14.038 1.00 0.00 H new ATOM 1359 N SER A 101 -10.696 5.681 -10.324 1.00 0.00 N ATOM 1360 CA SER A 101 -10.221 6.188 -9.006 1.00 0.00 C ATOM 1361 C SER A 101 -10.737 5.317 -7.885 1.00 0.00 C ATOM 1362 O SER A 101 -11.749 4.662 -8.030 1.00 0.00 O ATOM 1363 CB SER A 101 -10.811 7.583 -8.791 1.00 0.00 C ATOM 1364 OG SER A 101 -12.193 7.420 -9.072 1.00 0.00 O ATOM 0 H SER A 101 -11.272 4.840 -10.286 1.00 0.00 H new ATOM 0 HA SER A 101 -9.131 6.193 -9.004 1.00 0.00 H new ATOM 0 HB2 SER A 101 -10.650 7.931 -7.771 1.00 0.00 H new ATOM 0 HB3 SER A 101 -10.353 8.316 -9.454 1.00 0.00 H new ATOM 0 HG SER A 101 -12.654 8.277 -8.955 1.00 0.00 H new ATOM 1370 N LEU A 102 -10.044 5.319 -6.777 1.00 0.00 N ATOM 1371 CA LEU A 102 -10.513 4.489 -5.654 1.00 0.00 C ATOM 1372 C LEU A 102 -11.469 5.308 -4.796 1.00 0.00 C ATOM 1373 O LEU A 102 -11.119 5.792 -3.725 1.00 0.00 O ATOM 1374 CB LEU A 102 -9.310 4.014 -4.805 1.00 0.00 C ATOM 1375 CG LEU A 102 -8.118 3.723 -5.719 1.00 0.00 C ATOM 1376 CD1 LEU A 102 -7.015 3.032 -4.915 1.00 0.00 C ATOM 1377 CD2 LEU A 102 -8.556 2.802 -6.852 1.00 0.00 C ATOM 0 H LEU A 102 -9.190 5.852 -6.612 1.00 0.00 H new ATOM 0 HA LEU A 102 -11.031 3.611 -6.041 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -9.043 4.778 -4.075 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -9.579 3.118 -4.245 1.00 0.00 H new ATOM 0 HG LEU A 102 -7.744 4.661 -6.130 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -6.166 2.825 -5.566 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -6.697 3.682 -4.100 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -7.395 2.096 -4.505 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -7.706 2.596 -7.502 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -8.931 1.867 -6.436 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -9.345 3.284 -7.429 1.00 0.00 H new ATOM 1389 N ALA A 103 -12.652 5.503 -5.325 1.00 0.00 N ATOM 1390 CA ALA A 103 -13.670 6.281 -4.587 1.00 0.00 C ATOM 1391 C ALA A 103 -14.419 5.398 -3.602 1.00 0.00 C ATOM 1392 O ALA A 103 -14.911 5.862 -2.592 1.00 0.00 O ATOM 1393 CB ALA A 103 -14.671 6.855 -5.603 1.00 0.00 C ATOM 0 H ALA A 103 -12.948 5.153 -6.236 1.00 0.00 H new ATOM 0 HA ALA A 103 -13.176 7.078 -4.031 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -15.431 7.433 -5.078 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -14.145 7.501 -6.306 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -15.147 6.038 -6.146 1.00 0.00 H new ATOM 1399 N GLN A 104 -14.488 4.140 -3.913 1.00 0.00 N ATOM 1400 CA GLN A 104 -15.200 3.199 -3.010 1.00 0.00 C ATOM 1401 C GLN A 104 -14.465 3.070 -1.687 1.00 0.00 C ATOM 1402 O GLN A 104 -15.026 2.647 -0.696 1.00 0.00 O ATOM 1403 CB GLN A 104 -15.232 1.818 -3.684 1.00 0.00 C ATOM 1404 CG GLN A 104 -16.468 1.721 -4.580 1.00 0.00 C ATOM 1405 CD GLN A 104 -16.404 2.817 -5.644 1.00 0.00 C ATOM 1406 OE1 GLN A 104 -15.351 3.137 -6.160 1.00 0.00 O ATOM 1407 NE2 GLN A 104 -17.506 3.417 -6.001 1.00 0.00 N ATOM 0 H GLN A 104 -14.084 3.721 -4.751 1.00 0.00 H new ATOM 0 HA GLN A 104 -16.207 3.573 -2.823 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -14.328 1.668 -4.274 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -15.254 1.032 -2.929 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -16.513 0.740 -5.053 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -17.374 1.829 -3.983 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -18.393 3.153 -5.572 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -17.481 4.150 -6.710 1.00 0.00 H new ATOM 1416 N TYR A 105 -13.221 3.442 -1.696 1.00 0.00 N ATOM 1417 CA TYR A 105 -12.425 3.353 -0.457 1.00 0.00 C ATOM 1418 C TYR A 105 -13.017 4.216 0.645 1.00 0.00 C ATOM 1419 O TYR A 105 -13.221 3.755 1.751 1.00 0.00 O ATOM 1420 CB TYR A 105 -11.005 3.844 -0.769 1.00 0.00 C ATOM 1421 CG TYR A 105 -10.031 2.659 -0.727 1.00 0.00 C ATOM 1422 CD1 TYR A 105 -10.189 1.588 -1.586 1.00 0.00 C ATOM 1423 CD2 TYR A 105 -8.974 2.652 0.161 1.00 0.00 C ATOM 1424 CE1 TYR A 105 -9.301 0.530 -1.560 1.00 0.00 C ATOM 1425 CE2 TYR A 105 -8.087 1.594 0.187 1.00 0.00 C ATOM 1426 CZ TYR A 105 -8.244 0.526 -0.672 1.00 0.00 C ATOM 1427 OH TYR A 105 -7.354 -0.530 -0.646 1.00 0.00 O ATOM 0 H TYR A 105 -12.724 3.804 -2.510 1.00 0.00 H new ATOM 0 HA TYR A 105 -12.421 2.320 -0.110 1.00 0.00 H new ATOM 0 HB2 TYR A 105 -10.980 4.314 -1.752 1.00 0.00 H new ATOM 0 HB3 TYR A 105 -10.704 4.601 -0.045 1.00 0.00 H new ATOM 0 HD1 TYR A 105 -11.014 1.578 -2.283 1.00 0.00 H new ATOM 0 HD2 TYR A 105 -8.840 3.480 0.841 1.00 0.00 H new ATOM 0 HE1 TYR A 105 -9.435 -0.299 -2.239 1.00 0.00 H new ATOM 0 HE2 TYR A 105 -7.263 1.603 0.886 1.00 0.00 H new ATOM 0 HH TYR A 105 -6.806 -0.516 -1.458 1.00 0.00 H new ATOM 1437 N ASN A 106 -13.284 5.450 0.318 1.00 0.00 N ATOM 1438 CA ASN A 106 -13.865 6.378 1.328 1.00 0.00 C ATOM 1439 C ASN A 106 -15.340 6.707 0.996 1.00 0.00 C ATOM 1440 O ASN A 106 -15.785 6.503 -0.115 1.00 0.00 O ATOM 1441 CB ASN A 106 -13.041 7.666 1.283 1.00 0.00 C ATOM 1442 CG ASN A 106 -12.135 7.726 2.513 1.00 0.00 C ATOM 1443 OD1 ASN A 106 -12.327 8.664 3.396 1.00 0.00 O flip ATOM 1444 ND2 ASN A 106 -11.242 6.918 2.679 1.00 0.00 N flip ATOM 0 H ASN A 106 -13.125 5.856 -0.604 1.00 0.00 H new ATOM 0 HA ASN A 106 -13.839 5.916 2.315 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -12.442 7.697 0.373 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -13.701 8.533 1.260 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -11.087 6.181 1.991 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -10.648 6.977 3.506 1.00 0.00 H new ATOM 1451 N PRO A 107 -16.079 7.222 1.988 1.00 0.00 N ATOM 1452 CA PRO A 107 -17.495 7.574 1.795 1.00 0.00 C ATOM 1453 C PRO A 107 -17.697 8.649 0.712 1.00 0.00 C ATOM 1454 O PRO A 107 -18.013 8.334 -0.418 1.00 0.00 O ATOM 1455 CB PRO A 107 -17.956 8.113 3.170 1.00 0.00 C ATOM 1456 CG PRO A 107 -16.699 8.192 4.083 1.00 0.00 C ATOM 1457 CD PRO A 107 -15.559 7.470 3.349 1.00 0.00 C ATOM 0 HA PRO A 107 -18.066 6.709 1.456 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -18.415 9.096 3.063 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -18.708 7.456 3.608 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -16.432 9.230 4.282 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -16.894 7.723 5.047 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -14.657 8.081 3.322 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -15.297 6.537 3.848 1.00 0.00 H new ATOM 1465 N LYS A 108 -17.515 9.895 1.081 1.00 0.00 N ATOM 1466 CA LYS A 108 -17.695 10.987 0.091 1.00 0.00 C ATOM 1467 C LYS A 108 -16.368 11.402 -0.496 1.00 0.00 C ATOM 1468 O LYS A 108 -16.312 12.027 -1.536 1.00 0.00 O ATOM 1469 CB LYS A 108 -18.320 12.195 0.806 1.00 0.00 C ATOM 1470 CG LYS A 108 -19.079 11.713 2.043 1.00 0.00 C ATOM 1471 CD LYS A 108 -20.035 12.815 2.504 1.00 0.00 C ATOM 1472 CE LYS A 108 -21.453 12.499 2.018 1.00 0.00 C ATOM 1473 NZ LYS A 108 -22.091 11.483 2.901 1.00 0.00 N ATOM 0 H LYS A 108 -17.252 10.195 2.020 1.00 0.00 H new ATOM 0 HA LYS A 108 -18.339 10.634 -0.715 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -17.543 12.903 1.095 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -18.996 12.721 0.132 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -19.635 10.804 1.813 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -18.379 11.464 2.841 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -20.021 12.892 3.591 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -19.711 13.779 2.112 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -22.052 13.409 2.009 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -21.419 12.129 0.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -23.052 11.280 2.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -21.527 10.609 2.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -22.141 11.850 3.873 1.00 0.00 H new ATOM 1487 N LEU A 109 -15.318 11.050 0.178 1.00 0.00 N ATOM 1488 CA LEU A 109 -13.976 11.419 -0.336 1.00 0.00 C ATOM 1489 C LEU A 109 -13.456 10.316 -1.239 1.00 0.00 C ATOM 1490 O LEU A 109 -13.643 9.151 -0.961 1.00 0.00 O ATOM 1491 CB LEU A 109 -13.016 11.611 0.866 1.00 0.00 C ATOM 1492 CG LEU A 109 -11.586 11.899 0.361 1.00 0.00 C ATOM 1493 CD1 LEU A 109 -11.596 13.130 -0.552 1.00 0.00 C ATOM 1494 CD2 LEU A 109 -10.678 12.183 1.560 1.00 0.00 C ATOM 0 H LEU A 109 -15.327 10.528 1.054 1.00 0.00 H new ATOM 0 HA LEU A 109 -14.038 12.345 -0.908 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -13.362 12.435 1.490 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -13.017 10.717 1.489 1.00 0.00 H new ATOM 0 HG LEU A 109 -11.220 11.035 -0.194 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -10.584 13.329 -0.906 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -12.249 12.945 -1.405 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -11.962 13.993 0.005 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -9.666 12.387 1.210 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -11.055 13.048 2.105 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -10.665 11.316 2.220 1.00 0.00 H new ATOM 1506 N ASP A 110 -12.829 10.702 -2.316 1.00 0.00 N ATOM 1507 CA ASP A 110 -12.290 9.685 -3.252 1.00 0.00 C ATOM 1508 C ASP A 110 -10.867 10.011 -3.640 1.00 0.00 C ATOM 1509 O ASP A 110 -10.566 11.132 -4.001 1.00 0.00 O ATOM 1510 CB ASP A 110 -13.155 9.699 -4.518 1.00 0.00 C ATOM 1511 CG ASP A 110 -13.173 11.116 -5.095 1.00 0.00 C ATOM 1512 OD1 ASP A 110 -13.582 11.995 -4.355 1.00 0.00 O ATOM 1513 OD2 ASP A 110 -12.770 11.239 -6.240 1.00 0.00 O ATOM 0 H ASP A 110 -12.669 11.673 -2.584 1.00 0.00 H new ATOM 0 HA ASP A 110 -12.306 8.709 -2.768 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -12.758 8.999 -5.253 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -14.169 9.375 -4.284 1.00 0.00 H new ATOM 1518 N VAL A 111 -10.006 9.022 -3.566 1.00 0.00 N ATOM 1519 CA VAL A 111 -8.605 9.269 -3.929 1.00 0.00 C ATOM 1520 C VAL A 111 -8.336 8.857 -5.371 1.00 0.00 C ATOM 1521 O VAL A 111 -8.559 7.726 -5.759 1.00 0.00 O ATOM 1522 CB VAL A 111 -7.705 8.467 -2.983 1.00 0.00 C ATOM 1523 CG1 VAL A 111 -7.935 8.941 -1.541 1.00 0.00 C ATOM 1524 CG2 VAL A 111 -8.035 6.981 -3.080 1.00 0.00 C ATOM 0 H VAL A 111 -10.225 8.070 -3.271 1.00 0.00 H new ATOM 0 HA VAL A 111 -8.394 10.335 -3.838 1.00 0.00 H new ATOM 0 HB VAL A 111 -6.664 8.622 -3.265 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -7.296 8.373 -0.865 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -7.693 10.001 -1.463 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -8.979 8.786 -1.269 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -7.390 6.420 -2.404 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -9.077 6.821 -2.803 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -7.874 6.639 -4.102 1.00 0.00 H new ATOM 1534 N LYS A 112 -7.861 9.797 -6.134 1.00 0.00 N ATOM 1535 CA LYS A 112 -7.560 9.520 -7.558 1.00 0.00 C ATOM 1536 C LYS A 112 -6.117 9.066 -7.711 1.00 0.00 C ATOM 1537 O LYS A 112 -5.202 9.856 -7.572 1.00 0.00 O ATOM 1538 CB LYS A 112 -7.764 10.832 -8.334 1.00 0.00 C ATOM 1539 CG LYS A 112 -8.912 10.651 -9.341 1.00 0.00 C ATOM 1540 CD LYS A 112 -9.090 11.944 -10.170 1.00 0.00 C ATOM 1541 CE LYS A 112 -9.744 13.040 -9.309 1.00 0.00 C ATOM 1542 NZ LYS A 112 -8.836 14.216 -9.190 1.00 0.00 N ATOM 0 H LYS A 112 -7.668 10.751 -5.828 1.00 0.00 H new ATOM 0 HA LYS A 112 -8.212 8.732 -7.936 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -7.994 11.644 -7.644 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -6.847 11.106 -8.855 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -8.699 9.811 -10.002 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -9.837 10.416 -8.814 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -8.122 12.287 -10.535 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -9.707 11.742 -11.045 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -10.690 13.346 -9.755 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -9.972 12.646 -8.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -9.290 14.948 -8.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -7.944 13.922 -8.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -8.640 14.600 -10.136 1.00 0.00 H new ATOM 1556 N LEU A 113 -5.938 7.795 -7.996 1.00 0.00 N ATOM 1557 CA LEU A 113 -4.579 7.264 -8.159 1.00 0.00 C ATOM 1558 C LEU A 113 -4.225 7.019 -9.652 1.00 0.00 C ATOM 1559 O LEU A 113 -4.544 6.011 -10.223 1.00 0.00 O ATOM 1560 CB LEU A 113 -4.542 5.954 -7.290 1.00 0.00 C ATOM 1561 CG LEU A 113 -3.918 4.735 -8.005 1.00 0.00 C ATOM 1562 CD1 LEU A 113 -3.394 3.813 -6.924 1.00 0.00 C ATOM 1563 CD2 LEU A 113 -4.990 3.961 -8.804 1.00 0.00 C ATOM 0 H LEU A 113 -6.688 7.115 -8.120 1.00 0.00 H new ATOM 0 HA LEU A 113 -3.820 7.972 -7.825 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -3.979 6.153 -6.378 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -5.559 5.703 -6.989 1.00 0.00 H new ATOM 0 HG LEU A 113 -3.138 5.068 -8.689 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -2.942 2.934 -7.383 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -2.645 4.337 -6.330 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -4.217 3.503 -6.280 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -4.528 3.107 -9.299 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -5.767 3.610 -8.125 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -5.432 4.619 -9.552 1.00 0.00 H new ATOM 1575 N LEU A 114 -3.593 7.997 -10.257 1.00 0.00 N ATOM 1576 CA LEU A 114 -3.207 7.847 -11.685 1.00 0.00 C ATOM 1577 C LEU A 114 -1.910 8.606 -11.957 1.00 0.00 C ATOM 1578 O LEU A 114 -1.741 9.239 -12.982 1.00 0.00 O ATOM 1579 CB LEU A 114 -4.336 8.342 -12.632 1.00 0.00 C ATOM 1580 CG LEU A 114 -4.908 9.690 -12.181 1.00 0.00 C ATOM 1581 CD1 LEU A 114 -5.847 10.194 -13.279 1.00 0.00 C ATOM 1582 CD2 LEU A 114 -5.717 9.533 -10.890 1.00 0.00 C ATOM 0 H LEU A 114 -3.332 8.883 -9.824 1.00 0.00 H new ATOM 0 HA LEU A 114 -3.049 6.787 -11.885 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -3.946 8.434 -13.646 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -5.135 7.601 -12.664 1.00 0.00 H new ATOM 0 HG LEU A 114 -4.089 10.386 -12.001 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -6.270 11.154 -12.984 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -5.290 10.313 -14.208 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -6.652 9.474 -13.428 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -6.113 10.503 -10.589 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -6.542 8.841 -11.059 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -5.073 9.144 -10.102 1.00 0.00 H new ATOM 1594 N TYR A 115 -1.018 8.509 -11.001 1.00 0.00 N ATOM 1595 CA TYR A 115 0.306 9.185 -11.102 1.00 0.00 C ATOM 1596 C TYR A 115 1.386 8.246 -10.557 1.00 0.00 C ATOM 1597 O TYR A 115 1.916 8.466 -9.489 1.00 0.00 O ATOM 1598 CB TYR A 115 0.286 10.432 -10.211 1.00 0.00 C ATOM 1599 CG TYR A 115 -0.657 11.468 -10.795 1.00 0.00 C ATOM 1600 CD1 TYR A 115 -0.221 12.331 -11.772 1.00 0.00 C ATOM 1601 CD2 TYR A 115 -1.951 11.574 -10.335 1.00 0.00 C ATOM 1602 CE1 TYR A 115 -1.062 13.291 -12.283 1.00 0.00 C ATOM 1603 CE2 TYR A 115 -2.796 12.533 -10.842 1.00 0.00 C ATOM 1604 CZ TYR A 115 -2.360 13.403 -11.824 1.00 0.00 C ATOM 1605 OH TYR A 115 -3.204 14.369 -12.332 1.00 0.00 O ATOM 0 H TYR A 115 -1.158 7.979 -10.141 1.00 0.00 H new ATOM 0 HA TYR A 115 0.509 9.447 -12.140 1.00 0.00 H new ATOM 0 HB2 TYR A 115 -0.032 10.165 -9.203 1.00 0.00 H new ATOM 0 HB3 TYR A 115 1.290 10.847 -10.129 1.00 0.00 H new ATOM 0 HD1 TYR A 115 0.791 12.254 -12.141 1.00 0.00 H new ATOM 0 HD2 TYR A 115 -2.305 10.899 -9.570 1.00 0.00 H new ATOM 0 HE1 TYR A 115 -0.705 13.963 -13.049 1.00 0.00 H new ATOM 0 HE2 TYR A 115 -3.807 12.607 -10.470 1.00 0.00 H new ATOM 0 HH TYR A 115 -4.079 14.302 -11.895 1.00 0.00 H new ATOM 1615 N PRO A 116 1.692 7.212 -11.309 1.00 0.00 N ATOM 1616 CA PRO A 116 2.703 6.237 -10.900 1.00 0.00 C ATOM 1617 C PRO A 116 4.116 6.748 -11.104 1.00 0.00 C ATOM 1618 O PRO A 116 4.370 7.537 -11.992 1.00 0.00 O ATOM 1619 CB PRO A 116 2.489 5.050 -11.844 1.00 0.00 C ATOM 1620 CG PRO A 116 1.540 5.535 -12.991 1.00 0.00 C ATOM 1621 CD PRO A 116 1.065 6.946 -12.614 1.00 0.00 C ATOM 0 HA PRO A 116 2.599 6.002 -9.841 1.00 0.00 H new ATOM 0 HB2 PRO A 116 3.440 4.706 -12.251 1.00 0.00 H new ATOM 0 HB3 PRO A 116 2.048 4.208 -11.310 1.00 0.00 H new ATOM 0 HG2 PRO A 116 2.065 5.547 -13.946 1.00 0.00 H new ATOM 0 HG3 PRO A 116 0.692 4.859 -13.102 1.00 0.00 H new ATOM 0 HD2 PRO A 116 1.373 7.680 -13.359 1.00 0.00 H new ATOM 0 HD3 PRO A 116 -0.022 6.994 -12.549 1.00 0.00 H new ATOM 1629 N VAL A 117 5.013 6.288 -10.277 1.00 0.00 N ATOM 1630 CA VAL A 117 6.409 6.732 -10.413 1.00 0.00 C ATOM 1631 C VAL A 117 7.147 5.708 -11.273 1.00 0.00 C ATOM 1632 O VAL A 117 6.515 4.919 -11.945 1.00 0.00 O ATOM 1633 CB VAL A 117 7.039 6.807 -9.004 1.00 0.00 C ATOM 1634 CG1 VAL A 117 7.089 8.271 -8.538 1.00 0.00 C ATOM 1635 CG2 VAL A 117 6.180 6.002 -8.032 1.00 0.00 C ATOM 0 H VAL A 117 4.832 5.628 -9.520 1.00 0.00 H new ATOM 0 HA VAL A 117 6.471 7.714 -10.882 1.00 0.00 H new ATOM 0 HB VAL A 117 8.050 6.401 -9.034 1.00 0.00 H new ATOM 0 HG11 VAL A 117 7.534 8.321 -7.544 1.00 0.00 H new ATOM 0 HG12 VAL A 117 7.691 8.854 -9.235 1.00 0.00 H new ATOM 0 HG13 VAL A 117 6.078 8.677 -8.504 1.00 0.00 H new ATOM 0 HG21 VAL A 117 6.617 6.049 -7.035 1.00 0.00 H new ATOM 0 HG22 VAL A 117 5.173 6.418 -8.007 1.00 0.00 H new ATOM 0 HG23 VAL A 117 6.136 4.963 -8.360 1.00 0.00 H new ATOM 1645 N SER A 118 8.444 5.727 -11.253 1.00 0.00 N ATOM 1646 CA SER A 118 9.182 4.739 -12.083 1.00 0.00 C ATOM 1647 C SER A 118 10.460 4.295 -11.423 1.00 0.00 C ATOM 1648 O SER A 118 10.492 4.000 -10.246 1.00 0.00 O ATOM 1649 CB SER A 118 9.527 5.395 -13.419 1.00 0.00 C ATOM 1650 OG SER A 118 9.910 4.307 -14.249 1.00 0.00 O ATOM 0 H SER A 118 9.019 6.370 -10.709 1.00 0.00 H new ATOM 0 HA SER A 118 8.548 3.863 -12.217 1.00 0.00 H new ATOM 0 HB2 SER A 118 8.673 5.931 -13.833 1.00 0.00 H new ATOM 0 HB3 SER A 118 10.335 6.118 -13.311 1.00 0.00 H new ATOM 0 HG SER A 118 9.312 3.547 -14.089 1.00 0.00 H new ATOM 1656 N LYS A 119 11.489 4.245 -12.207 1.00 0.00 N ATOM 1657 CA LYS A 119 12.811 3.822 -11.682 1.00 0.00 C ATOM 1658 C LYS A 119 12.749 2.391 -11.165 1.00 0.00 C ATOM 1659 O LYS A 119 13.308 2.077 -10.133 1.00 0.00 O ATOM 1660 CB LYS A 119 13.222 4.760 -10.523 1.00 0.00 C ATOM 1661 CG LYS A 119 12.923 6.217 -10.907 1.00 0.00 C ATOM 1662 CD LYS A 119 13.456 6.489 -12.319 1.00 0.00 C ATOM 1663 CE LYS A 119 13.554 8.001 -12.538 1.00 0.00 C ATOM 1664 NZ LYS A 119 12.292 8.670 -12.118 1.00 0.00 N ATOM 0 H LYS A 119 11.474 4.481 -13.199 1.00 0.00 H new ATOM 0 HA LYS A 119 13.542 3.875 -12.489 1.00 0.00 H new ATOM 0 HB2 LYS A 119 12.679 4.494 -9.616 1.00 0.00 H new ATOM 0 HB3 LYS A 119 14.283 4.641 -10.305 1.00 0.00 H new ATOM 0 HG2 LYS A 119 11.849 6.402 -10.869 1.00 0.00 H new ATOM 0 HG3 LYS A 119 13.389 6.896 -10.193 1.00 0.00 H new ATOM 0 HD2 LYS A 119 14.435 6.027 -12.446 1.00 0.00 H new ATOM 0 HD3 LYS A 119 12.794 6.044 -13.062 1.00 0.00 H new ATOM 0 HE2 LYS A 119 14.393 8.403 -11.970 1.00 0.00 H new ATOM 0 HE3 LYS A 119 13.751 8.210 -13.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 12.245 9.619 -12.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 11.478 8.108 -12.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 12.270 8.751 -11.081 1.00 0.00 H new ATOM 1678 N TYR A 120 12.070 1.542 -11.896 1.00 0.00 N ATOM 1679 CA TYR A 120 11.962 0.138 -11.465 1.00 0.00 C ATOM 1680 C TYR A 120 13.316 -0.404 -11.024 1.00 0.00 C ATOM 1681 O TYR A 120 13.331 -1.035 -9.980 1.00 0.00 O ATOM 1682 CB TYR A 120 11.459 -0.690 -12.643 1.00 0.00 C ATOM 1683 CG TYR A 120 10.551 0.170 -13.525 1.00 0.00 C ATOM 1684 CD1 TYR A 120 9.398 0.726 -13.009 1.00 0.00 C ATOM 1685 CD2 TYR A 120 10.871 0.404 -14.847 1.00 0.00 C ATOM 1686 CE1 TYR A 120 8.582 1.506 -13.802 1.00 0.00 C ATOM 1687 CE2 TYR A 120 10.054 1.182 -15.639 1.00 0.00 C ATOM 1688 CZ TYR A 120 8.903 1.740 -15.122 1.00 0.00 C ATOM 1689 OH TYR A 120 8.085 2.521 -15.914 1.00 0.00 O ATOM 1690 OXT TYR A 120 14.262 -0.157 -11.755 1.00 0.00 O ATOM 0 H TYR A 120 11.592 1.771 -12.767 1.00 0.00 H new ATOM 0 HA TYR A 120 11.274 0.078 -10.621 1.00 0.00 H new ATOM 0 HB2 TYR A 120 12.302 -1.062 -13.225 1.00 0.00 H new ATOM 0 HB3 TYR A 120 10.912 -1.561 -12.281 1.00 0.00 H new ATOM 0 HD1 TYR A 120 9.133 0.549 -11.977 1.00 0.00 H new ATOM 0 HD2 TYR A 120 11.769 -0.026 -15.265 1.00 0.00 H new ATOM 0 HE1 TYR A 120 7.684 1.937 -13.385 1.00 0.00 H new ATOM 0 HE2 TYR A 120 10.317 1.356 -16.672 1.00 0.00 H new ATOM 0 HH TYR A 120 8.271 3.468 -15.743 1.00 0.00 H new TER 1700 TYR A 120