USER MOD reduce.3.24.130724 H: found=0, std=0, add=930, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 933 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 Single : A 1 GLY N :NH3+ -129:sc= 0.0295 (180deg=0) USER MOD Single : A 7 SER OG : rot 74:sc= 1.06 USER MOD Single : A 10 GLN : amide:sc= -1.65! X(o=-1.7!,f=-1.3) USER MOD Single : A 11 GLN : amide:sc= -0.135 X(o=-0.14,f=-0.13) USER MOD Single : A 16 GLN :FLIP amide:sc= -0.261 F(o=-1.5,f=-0.26) USER MOD Single : A 18 GLN : amide:sc= -0.353 K(o=-0.35,f=-2.2!) USER MOD Single : A 20 GLN : amide:sc= -0.136 X(o=-0.14,f=-0.14) USER MOD Single : A 21 HIS : no HD1:sc= -4.39! C(o=-4.4!,f=-6.9!) USER MOD Single : A 23 GLN :FLIP amide:sc= 0 F(o=-0.64,f=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -1.03 X(o=-1,f=-0.73) USER MOD Single : A 29 TYR OH : rot -84:sc= -0.607! USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 159:sc= 1.53 (180deg=0.323!) USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=-0.014) USER MOD Single : B 47 SER OG : rot 76:sc= 1.24 USER MOD Single : B 50 GLN :FLIP amide:sc= -1.17 F(o=-1.7!,f=-1.2) USER MOD Single : B 51 GLN : amide:sc= -0.0699 X(o=-0.07,f=-0.07) USER MOD Single : B 56 GLN :FLIP amide:sc= -0.182 F(o=-1.3,f=-0.18) USER MOD Single : B 58 GLN : amide:sc= -0.402 K(o=-0.4,f=-2.4!) USER MOD Single : B 60 GLN : amide:sc= -0.18 X(o=-0.18,f=-0.18) USER MOD Single : B 61 HIS : no HD1:sc= -4.42! C(o=-4.4!,f=-7.2!) USER MOD Single : B 63 GLN :FLIP amide:sc= 0 F(o=-0.6,f=0) USER MOD Single : B 67 SER OG : rot 180:sc= 0 USER MOD Single : B 68 GLN : amide:sc= -1.21 X(o=-1.2,f=-0.77) USER MOD Single : B 69 TYR OH : rot -83:sc= -0.901! USER MOD Single : B 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 71 LYS NZ :NH3+ 160:sc= 1.66 (180deg=0.266!) USER MOD Single : B 77 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : C 87 SER OG : rot 74:sc= 1.15 USER MOD Single : C 90 GLN :FLIP amide:sc= -1.16 F(o=-1.8!,f=-1.2) USER MOD Single : C 91 GLN : amide:sc= -0.163 X(o=-0.16,f=-0.16) USER MOD Single : C 96 GLN :FLIP amide:sc= -0.311 F(o=-1.8!,f=-0.31) USER MOD Single : C 98 GLN : amide:sc= -0.382 K(o=-0.38,f=-2!) USER MOD Single : C 100 GLN : amide:sc= -0.206 X(o=-0.21,f=-0.21) USER MOD Single : C 101 HIS : no HD1:sc= -2.95 K(o=-3,f=-6.3!) USER MOD Single : C 103 GLN :FLIP amide:sc= 0 F(o=-0.57,f=0) USER MOD Single : C 107 SER OG : rot 180:sc= 0 USER MOD Single : C 108 GLN : amide:sc= -1.11 X(o=-1.1,f=-0.78) USER MOD Single : C 109 TYR OH : rot -88:sc= -0.554! USER MOD Single : C 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 111 LYS NZ :NH3+ 158:sc= 1.48 (180deg=0.32!) USER MOD Single : C 117 ASN : amide:sc= 0 X(o=0,f=-0.0039) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -1.840 -27.832 6.484 1.00 0.00 N ATOM 2 CA GLY A 1 -2.775 -28.448 5.513 1.00 0.00 C ATOM 3 C GLY A 1 -3.833 -27.471 5.038 1.00 0.00 C ATOM 4 O GLY A 1 -3.595 -26.266 5.008 1.00 0.00 O ATOM 0 H1 GLY A 1 -0.860 -28.008 6.182 1.00 0.00 H new ATOM 0 H2 GLY A 1 -2.010 -26.807 6.527 1.00 0.00 H new ATOM 0 H3 GLY A 1 -1.992 -28.248 7.425 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -2.214 -28.818 4.655 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -3.259 -29.309 5.973 1.00 0.00 H new ATOM 10 N LEU A 2 -5.002 -27.997 4.682 1.00 0.00 N ATOM 11 CA LEU A 2 -6.121 -27.175 4.211 1.00 0.00 C ATOM 12 C LEU A 2 -6.526 -26.122 5.243 1.00 0.00 C ATOM 13 O LEU A 2 -6.590 -24.947 4.902 1.00 0.00 O ATOM 14 CB LEU A 2 -7.322 -28.051 3.829 1.00 0.00 C ATOM 15 CG LEU A 2 -7.365 -28.512 2.365 1.00 0.00 C ATOM 16 CD1 LEU A 2 -5.987 -28.886 1.843 1.00 0.00 C ATOM 17 CD2 LEU A 2 -8.354 -29.654 2.183 1.00 0.00 C ATOM 0 H LEU A 2 -5.203 -28.997 4.710 1.00 0.00 H new ATOM 0 HA LEU A 2 -5.782 -26.647 3.320 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -7.325 -28.933 4.470 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -8.236 -27.498 4.044 1.00 0.00 H new ATOM 0 HG LEU A 2 -7.710 -27.667 1.770 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -6.066 -29.206 0.804 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -5.327 -28.021 1.907 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -5.579 -29.699 2.443 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -8.366 -29.962 1.138 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -8.055 -30.497 2.806 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -9.351 -29.322 2.475 1.00 0.00 H new ATOM 29 N PRO A 3 -6.837 -26.520 6.508 1.00 0.00 N ATOM 30 CA PRO A 3 -7.247 -25.585 7.551 1.00 0.00 C ATOM 31 C PRO A 3 -6.380 -24.323 7.594 1.00 0.00 C ATOM 32 O PRO A 3 -6.888 -23.213 7.753 1.00 0.00 O ATOM 33 CB PRO A 3 -7.057 -26.377 8.844 1.00 0.00 C ATOM 34 CG PRO A 3 -7.163 -27.809 8.462 1.00 0.00 C ATOM 35 CD PRO A 3 -6.865 -27.905 6.989 1.00 0.00 C ATOM 0 HA PRO A 3 -8.265 -25.234 7.384 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -6.088 -26.163 9.294 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -7.816 -26.112 9.580 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -6.460 -28.412 9.036 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -8.161 -28.191 8.677 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -5.911 -28.402 6.812 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -7.628 -28.486 6.471 1.00 0.00 H new ATOM 43 N ASP A 4 -5.068 -24.517 7.447 1.00 0.00 N ATOM 44 CA ASP A 4 -4.104 -23.413 7.463 1.00 0.00 C ATOM 45 C ASP A 4 -4.323 -22.478 6.282 1.00 0.00 C ATOM 46 O ASP A 4 -4.186 -21.268 6.411 1.00 0.00 O ATOM 47 CB ASP A 4 -2.671 -23.950 7.417 1.00 0.00 C ATOM 48 CG ASP A 4 -2.275 -24.709 8.663 1.00 0.00 C ATOM 49 OD1 ASP A 4 -3.044 -24.697 9.645 1.00 0.00 O ATOM 50 OD2 ASP A 4 -1.194 -25.323 8.661 1.00 0.00 O ATOM 0 H ASP A 4 -4.645 -25.436 7.314 1.00 0.00 H new ATOM 0 HA ASP A 4 -4.256 -22.858 8.389 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -2.564 -24.605 6.552 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -1.983 -23.117 7.274 1.00 0.00 H new ATOM 55 N VAL A 5 -4.671 -23.055 5.137 1.00 0.00 N ATOM 56 CA VAL A 5 -4.926 -22.287 3.923 1.00 0.00 C ATOM 57 C VAL A 5 -6.165 -21.412 4.101 1.00 0.00 C ATOM 58 O VAL A 5 -6.184 -20.254 3.691 1.00 0.00 O ATOM 59 CB VAL A 5 -5.136 -23.225 2.712 1.00 0.00 C ATOM 60 CG1 VAL A 5 -5.308 -22.433 1.429 1.00 0.00 C ATOM 61 CG2 VAL A 5 -3.978 -24.199 2.580 1.00 0.00 C ATOM 0 H VAL A 5 -4.784 -24.062 5.024 1.00 0.00 H new ATOM 0 HA VAL A 5 -4.057 -21.656 3.737 1.00 0.00 H new ATOM 0 HB VAL A 5 -6.050 -23.793 2.886 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -5.454 -23.119 0.595 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -6.176 -21.780 1.518 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -4.418 -21.830 1.252 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -4.146 -24.850 1.722 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -3.050 -23.644 2.439 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -3.906 -24.803 3.485 1.00 0.00 H new ATOM 71 N ALA A 6 -7.193 -21.964 4.731 1.00 0.00 N ATOM 72 CA ALA A 6 -8.414 -21.209 4.974 1.00 0.00 C ATOM 73 C ALA A 6 -8.149 -20.126 6.005 1.00 0.00 C ATOM 74 O ALA A 6 -8.674 -19.018 5.917 1.00 0.00 O ATOM 75 CB ALA A 6 -9.539 -22.120 5.422 1.00 0.00 C ATOM 0 H ALA A 6 -7.207 -22.922 5.080 1.00 0.00 H new ATOM 0 HA ALA A 6 -8.727 -20.739 4.041 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -10.438 -21.529 5.596 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -9.736 -22.862 4.648 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -9.253 -22.625 6.344 1.00 0.00 H new ATOM 81 N SER A 7 -7.287 -20.439 6.958 1.00 0.00 N ATOM 82 CA SER A 7 -6.899 -19.477 7.977 1.00 0.00 C ATOM 83 C SER A 7 -6.005 -18.423 7.338 1.00 0.00 C ATOM 84 O SER A 7 -5.832 -17.318 7.850 1.00 0.00 O ATOM 85 CB SER A 7 -6.154 -20.184 9.106 1.00 0.00 C ATOM 86 OG SER A 7 -6.955 -21.202 9.694 1.00 0.00 O ATOM 0 H SER A 7 -6.842 -21.352 7.048 1.00 0.00 H new ATOM 0 HA SER A 7 -7.787 -19.002 8.395 1.00 0.00 H new ATOM 0 HB2 SER A 7 -5.233 -20.620 8.720 1.00 0.00 H new ATOM 0 HB3 SER A 7 -5.868 -19.458 9.867 1.00 0.00 H new ATOM 0 HG SER A 7 -7.004 -21.971 9.088 1.00 0.00 H new ATOM 92 N LEU A 8 -5.448 -18.779 6.196 1.00 0.00 N ATOM 93 CA LEU A 8 -4.581 -17.890 5.464 1.00 0.00 C ATOM 94 C LEU A 8 -5.388 -16.774 4.817 1.00 0.00 C ATOM 95 O LEU A 8 -4.885 -15.670 4.613 1.00 0.00 O ATOM 96 CB LEU A 8 -3.812 -18.674 4.399 1.00 0.00 C ATOM 97 CG LEU A 8 -2.753 -17.886 3.650 1.00 0.00 C ATOM 98 CD1 LEU A 8 -1.628 -17.522 4.594 1.00 0.00 C ATOM 99 CD2 LEU A 8 -2.209 -18.685 2.478 1.00 0.00 C ATOM 0 H LEU A 8 -5.586 -19.689 5.756 1.00 0.00 H new ATOM 0 HA LEU A 8 -3.869 -17.442 6.158 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -3.335 -19.530 4.876 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -4.526 -19.069 3.676 1.00 0.00 H new ATOM 0 HG LEU A 8 -3.209 -16.977 3.259 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -0.869 -16.956 4.054 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -2.020 -16.916 5.411 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -1.184 -18.431 4.998 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -1.452 -18.098 1.958 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -1.763 -19.610 2.844 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -3.021 -18.921 1.790 1.00 0.00 H new ATOM 111 N ARG A 9 -6.653 -17.066 4.511 1.00 0.00 N ATOM 112 CA ARG A 9 -7.551 -16.086 3.904 1.00 0.00 C ATOM 113 C ARG A 9 -7.751 -14.908 4.849 1.00 0.00 C ATOM 114 O ARG A 9 -8.106 -13.809 4.423 1.00 0.00 O ATOM 115 CB ARG A 9 -8.926 -16.702 3.600 1.00 0.00 C ATOM 116 CG ARG A 9 -8.890 -18.145 3.116 1.00 0.00 C ATOM 117 CD ARG A 9 -8.208 -18.284 1.774 1.00 0.00 C ATOM 118 NE ARG A 9 -8.892 -17.528 0.725 1.00 0.00 N ATOM 119 CZ ARG A 9 -10.014 -17.923 0.126 1.00 0.00 C ATOM 120 NH1 ARG A 9 -10.560 -19.097 0.424 1.00 0.00 N ATOM 121 NH2 ARG A 9 -10.584 -17.140 -0.780 1.00 0.00 N ATOM 0 H ARG A 9 -7.079 -17.978 4.675 1.00 0.00 H new ATOM 0 HA ARG A 9 -7.093 -15.754 2.972 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -9.537 -16.652 4.501 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -9.421 -16.093 2.844 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -8.370 -18.759 3.851 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -9.908 -18.527 3.045 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -7.177 -17.939 1.855 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -8.171 -19.337 1.495 1.00 0.00 H new ATOM 0 HE ARG A 9 -8.483 -16.640 0.433 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -10.120 -19.703 1.116 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -11.419 -19.392 -0.039 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -10.163 -16.241 -1.014 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -11.443 -17.437 -1.242 1.00 0.00 H new ATOM 135 N GLN A 10 -7.520 -15.151 6.139 1.00 0.00 N ATOM 136 CA GLN A 10 -7.677 -14.121 7.156 1.00 0.00 C ATOM 137 C GLN A 10 -6.518 -13.134 7.076 1.00 0.00 C ATOM 138 O GLN A 10 -6.693 -11.931 7.262 1.00 0.00 O ATOM 139 CB GLN A 10 -7.750 -14.773 8.535 1.00 0.00 C ATOM 140 CG GLN A 10 -8.345 -16.172 8.486 1.00 0.00 C ATOM 141 CD GLN A 10 -8.695 -16.728 9.851 1.00 0.00 C ATOM 142 OE1 GLN A 10 -9.195 -17.847 9.963 1.00 0.00 O ATOM 143 NE2 GLN A 10 -8.440 -15.956 10.899 1.00 0.00 N ATOM 0 H GLN A 10 -7.223 -16.057 6.502 1.00 0.00 H new ATOM 0 HA GLN A 10 -8.603 -13.572 6.984 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -6.749 -14.822 8.964 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -8.350 -14.149 9.197 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -9.243 -16.155 7.868 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -7.636 -16.843 8.000 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -8.025 -15.034 10.764 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -8.659 -16.284 11.840 1.00 0.00 H new ATOM 152 N GLN A 11 -5.338 -13.660 6.755 1.00 0.00 N ATOM 153 CA GLN A 11 -4.147 -12.836 6.602 1.00 0.00 C ATOM 154 C GLN A 11 -4.268 -12.014 5.325 1.00 0.00 C ATOM 155 O GLN A 11 -3.692 -10.935 5.204 1.00 0.00 O ATOM 156 CB GLN A 11 -2.886 -13.704 6.557 1.00 0.00 C ATOM 157 CG GLN A 11 -2.653 -14.515 7.824 1.00 0.00 C ATOM 158 CD GLN A 11 -2.523 -13.645 9.061 1.00 0.00 C ATOM 159 OE1 GLN A 11 -1.663 -12.763 9.127 1.00 0.00 O ATOM 160 NE2 GLN A 11 -3.379 -13.884 10.043 1.00 0.00 N ATOM 0 H GLN A 11 -5.184 -14.656 6.596 1.00 0.00 H new ATOM 0 HA GLN A 11 -4.064 -12.169 7.460 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -2.955 -14.385 5.709 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -2.021 -13.064 6.382 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -3.479 -15.213 7.961 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -1.748 -15.111 7.707 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -4.074 -14.624 9.945 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -3.343 -13.328 10.897 1.00 0.00 H new ATOM 169 N VAL A 12 -5.050 -12.531 4.389 1.00 0.00 N ATOM 170 CA VAL A 12 -5.296 -11.859 3.120 1.00 0.00 C ATOM 171 C VAL A 12 -6.260 -10.707 3.339 1.00 0.00 C ATOM 172 O VAL A 12 -6.082 -9.626 2.785 1.00 0.00 O ATOM 173 CB VAL A 12 -5.911 -12.842 2.097 1.00 0.00 C ATOM 174 CG1 VAL A 12 -6.157 -12.187 0.756 1.00 0.00 C ATOM 175 CG2 VAL A 12 -5.072 -14.094 1.953 1.00 0.00 C ATOM 0 H VAL A 12 -5.531 -13.425 4.486 1.00 0.00 H new ATOM 0 HA VAL A 12 -4.348 -11.488 2.732 1.00 0.00 H new ATOM 0 HB VAL A 12 -6.883 -13.140 2.491 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -6.589 -12.915 0.069 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -6.846 -11.351 0.880 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -5.213 -11.822 0.351 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -5.535 -14.761 1.226 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -4.072 -13.825 1.613 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -5.004 -14.599 2.917 1.00 0.00 H new ATOM 185 N GLU A 13 -7.265 -10.943 4.177 1.00 0.00 N ATOM 186 CA GLU A 13 -8.245 -9.919 4.510 1.00 0.00 C ATOM 187 C GLU A 13 -7.518 -8.768 5.195 1.00 0.00 C ATOM 188 O GLU A 13 -7.857 -7.591 5.034 1.00 0.00 O ATOM 189 CB GLU A 13 -9.318 -10.495 5.437 1.00 0.00 C ATOM 190 CG GLU A 13 -10.477 -9.547 5.701 1.00 0.00 C ATOM 191 CD GLU A 13 -11.423 -9.429 4.527 1.00 0.00 C ATOM 192 OE1 GLU A 13 -11.272 -10.201 3.558 1.00 0.00 O ATOM 193 OE2 GLU A 13 -12.334 -8.580 4.586 1.00 0.00 O ATOM 0 H GLU A 13 -7.421 -11.839 4.639 1.00 0.00 H new ATOM 0 HA GLU A 13 -8.737 -9.564 3.605 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -9.706 -11.415 5.000 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -8.857 -10.763 6.388 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -11.031 -9.893 6.574 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -10.084 -8.560 5.944 1.00 0.00 H new ATOM 200 N ALA A 14 -6.490 -9.147 5.937 1.00 0.00 N ATOM 201 CA ALA A 14 -5.635 -8.215 6.652 1.00 0.00 C ATOM 202 C ALA A 14 -4.860 -7.343 5.682 1.00 0.00 C ATOM 203 O ALA A 14 -4.895 -6.117 5.753 1.00 0.00 O ATOM 204 CB ALA A 14 -4.648 -9.002 7.471 1.00 0.00 C ATOM 0 H ALA A 14 -6.223 -10.124 6.061 1.00 0.00 H new ATOM 0 HA ALA A 14 -6.257 -7.581 7.284 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -3.998 -8.317 8.015 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -5.184 -9.633 8.180 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -4.046 -9.628 6.812 1.00 0.00 H new ATOM 210 N LEU A 15 -4.145 -8.014 4.789 1.00 0.00 N ATOM 211 CA LEU A 15 -3.322 -7.362 3.782 1.00 0.00 C ATOM 212 C LEU A 15 -4.126 -6.378 2.950 1.00 0.00 C ATOM 213 O LEU A 15 -3.691 -5.254 2.703 1.00 0.00 O ATOM 214 CB LEU A 15 -2.696 -8.427 2.872 1.00 0.00 C ATOM 215 CG LEU A 15 -1.614 -9.291 3.525 1.00 0.00 C ATOM 216 CD1 LEU A 15 -1.127 -10.353 2.556 1.00 0.00 C ATOM 217 CD2 LEU A 15 -0.451 -8.432 3.996 1.00 0.00 C ATOM 0 H LEU A 15 -4.120 -9.033 4.744 1.00 0.00 H new ATOM 0 HA LEU A 15 -2.540 -6.799 4.292 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -3.488 -9.080 2.507 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -2.266 -7.931 2.002 1.00 0.00 H new ATOM 0 HG LEU A 15 -2.050 -9.785 4.393 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.358 -10.958 3.036 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -1.962 -10.991 2.265 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.711 -9.874 1.670 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.306 -9.066 4.457 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.017 -7.909 3.144 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.808 -7.705 4.725 1.00 0.00 H new ATOM 229 N GLN A 16 -5.309 -6.801 2.522 1.00 0.00 N ATOM 230 CA GLN A 16 -6.163 -5.938 1.704 1.00 0.00 C ATOM 231 C GLN A 16 -6.771 -4.822 2.536 1.00 0.00 C ATOM 232 O GLN A 16 -7.078 -3.759 2.009 1.00 0.00 O ATOM 233 CB GLN A 16 -7.249 -6.735 0.970 1.00 0.00 C ATOM 234 CG GLN A 16 -8.228 -7.460 1.872 1.00 0.00 C ATOM 235 CD GLN A 16 -9.242 -8.264 1.087 1.00 0.00 C ATOM 236 OE1 GLN A 16 -9.207 -9.576 1.249 1.00 0.00 O flip ATOM 237 NE2 GLN A 16 -10.047 -7.711 0.336 1.00 0.00 N flip ATOM 0 H GLN A 16 -5.698 -7.722 2.722 1.00 0.00 H new ATOM 0 HA GLN A 16 -5.527 -5.485 0.943 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -7.806 -6.054 0.326 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -6.767 -7.465 0.320 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -7.680 -8.124 2.541 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -8.748 -6.735 2.498 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -10.040 -6.696 0.240 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -10.720 -8.269 -0.190 1.00 0.00 H new ATOM 246 N GLY A 17 -6.904 -5.047 3.840 1.00 0.00 N ATOM 247 CA GLY A 17 -7.426 -4.016 4.717 1.00 0.00 C ATOM 248 C GLY A 17 -6.441 -2.869 4.810 1.00 0.00 C ATOM 249 O GLY A 17 -6.816 -1.701 4.934 1.00 0.00 O ATOM 0 H GLY A 17 -6.660 -5.922 4.303 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -8.383 -3.655 4.339 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -7.611 -4.429 5.709 1.00 0.00 H new ATOM 253 N GLN A 18 -5.166 -3.214 4.705 1.00 0.00 N ATOM 254 CA GLN A 18 -4.102 -2.232 4.739 1.00 0.00 C ATOM 255 C GLN A 18 -4.100 -1.419 3.455 1.00 0.00 C ATOM 256 O GLN A 18 -3.900 -0.210 3.471 1.00 0.00 O ATOM 257 CB GLN A 18 -2.752 -2.925 4.921 1.00 0.00 C ATOM 258 CG GLN A 18 -2.637 -3.743 6.196 1.00 0.00 C ATOM 259 CD GLN A 18 -2.618 -2.890 7.448 1.00 0.00 C ATOM 260 OE1 GLN A 18 -3.581 -2.191 7.758 1.00 0.00 O ATOM 261 NE2 GLN A 18 -1.511 -2.933 8.174 1.00 0.00 N ATOM 0 H GLN A 18 -4.846 -4.176 4.595 1.00 0.00 H new ATOM 0 HA GLN A 18 -4.271 -1.561 5.581 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -2.574 -3.578 4.067 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -1.965 -2.170 4.915 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -3.473 -4.440 6.251 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -1.726 -4.341 6.157 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -0.733 -3.526 7.884 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -1.436 -2.373 9.024 1.00 0.00 H new ATOM 270 N VAL A 19 -4.327 -2.088 2.340 1.00 0.00 N ATOM 271 CA VAL A 19 -4.347 -1.409 1.054 1.00 0.00 C ATOM 272 C VAL A 19 -5.527 -0.458 0.944 1.00 0.00 C ATOM 273 O VAL A 19 -5.380 0.662 0.466 1.00 0.00 O ATOM 274 CB VAL A 19 -4.446 -2.399 -0.123 1.00 0.00 C ATOM 275 CG1 VAL A 19 -4.019 -1.747 -1.420 1.00 0.00 C ATOM 276 CG2 VAL A 19 -3.673 -3.675 0.128 1.00 0.00 C ATOM 0 H VAL A 19 -4.499 -3.092 2.296 1.00 0.00 H new ATOM 0 HA VAL A 19 -3.407 -0.860 0.999 1.00 0.00 H new ATOM 0 HB VAL A 19 -5.495 -2.680 -0.212 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -4.099 -2.468 -2.233 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -4.664 -0.893 -1.628 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -2.986 -1.409 -1.335 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -3.776 -4.338 -0.731 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -2.620 -3.438 0.280 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -4.066 -4.170 1.016 1.00 0.00 H new ATOM 286 N GLN A 20 -6.698 -0.921 1.356 1.00 0.00 N ATOM 287 CA GLN A 20 -7.897 -0.106 1.266 1.00 0.00 C ATOM 288 C GLN A 20 -7.778 1.161 2.096 1.00 0.00 C ATOM 289 O GLN A 20 -8.167 2.230 1.638 1.00 0.00 O ATOM 290 CB GLN A 20 -9.144 -0.885 1.680 1.00 0.00 C ATOM 291 CG GLN A 20 -9.040 -1.564 3.030 1.00 0.00 C ATOM 292 CD GLN A 20 -10.389 -1.987 3.563 1.00 0.00 C ATOM 293 OE1 GLN A 20 -11.096 -2.780 2.937 1.00 0.00 O ATOM 294 NE2 GLN A 20 -10.757 -1.465 4.722 1.00 0.00 N ATOM 0 H GLN A 20 -6.842 -1.850 1.753 1.00 0.00 H new ATOM 0 HA GLN A 20 -8.001 0.177 0.218 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -9.995 -0.204 1.695 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -9.353 -1.640 0.923 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -8.394 -2.438 2.946 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -8.567 -0.886 3.740 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -10.140 -0.812 5.206 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -11.657 -1.715 5.131 1.00 0.00 H new ATOM 303 N HIS A 21 -7.248 1.058 3.315 1.00 0.00 N ATOM 304 CA HIS A 21 -7.124 2.248 4.143 1.00 0.00 C ATOM 305 C HIS A 21 -5.944 3.096 3.710 1.00 0.00 C ATOM 306 O HIS A 21 -5.873 4.276 4.040 1.00 0.00 O ATOM 307 CB HIS A 21 -7.052 1.924 5.631 1.00 0.00 C ATOM 308 CG HIS A 21 -5.706 1.666 6.165 1.00 0.00 C ATOM 309 ND1 HIS A 21 -4.985 0.577 5.828 1.00 0.00 N ATOM 310 CD2 HIS A 21 -4.946 2.385 7.027 1.00 0.00 C ATOM 311 CE1 HIS A 21 -3.829 0.642 6.461 1.00 0.00 C ATOM 312 NE2 HIS A 21 -3.743 1.721 7.212 1.00 0.00 N ATOM 0 H HIS A 21 -6.909 0.193 3.736 1.00 0.00 H new ATOM 0 HA HIS A 21 -8.035 2.828 3.994 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -7.490 2.754 6.186 1.00 0.00 H new ATOM 0 HB3 HIS A 21 -7.673 1.049 5.824 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -5.230 3.318 7.491 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -3.048 -0.099 6.374 1.00 0.00 H new ATOM 0 HE2 HIS A 21 -2.961 2.006 7.802 1.00 0.00 H new ATOM 320 N LEU A 22 -5.031 2.511 2.955 1.00 0.00 N ATOM 321 CA LEU A 22 -3.894 3.265 2.477 1.00 0.00 C ATOM 322 C LEU A 22 -4.320 4.146 1.316 1.00 0.00 C ATOM 323 O LEU A 22 -3.875 5.281 1.192 1.00 0.00 O ATOM 324 CB LEU A 22 -2.750 2.343 2.098 1.00 0.00 C ATOM 325 CG LEU A 22 -1.525 2.537 2.978 1.00 0.00 C ATOM 326 CD1 LEU A 22 -1.857 2.351 4.440 1.00 0.00 C ATOM 327 CD2 LEU A 22 -0.380 1.634 2.551 1.00 0.00 C ATOM 0 H LEU A 22 -5.055 1.533 2.665 1.00 0.00 H new ATOM 0 HA LEU A 22 -3.527 3.908 3.277 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.084 1.308 2.170 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.477 2.518 1.058 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.194 3.567 2.846 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -0.958 2.497 5.039 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.613 3.078 4.737 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -2.240 1.343 4.601 1.00 0.00 H new ATOM 0 HD21 LEU A 22 0.478 1.801 3.203 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.692 0.592 2.622 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.103 1.860 1.521 1.00 0.00 H new ATOM 339 N GLN A 23 -5.242 3.636 0.499 1.00 0.00 N ATOM 340 CA GLN A 23 -5.783 4.412 -0.609 1.00 0.00 C ATOM 341 C GLN A 23 -6.745 5.434 -0.021 1.00 0.00 C ATOM 342 O GLN A 23 -6.893 6.550 -0.527 1.00 0.00 O ATOM 343 CB GLN A 23 -6.512 3.520 -1.614 1.00 0.00 C ATOM 344 CG GLN A 23 -5.639 2.440 -2.226 1.00 0.00 C ATOM 345 CD GLN A 23 -6.352 1.679 -3.324 1.00 0.00 C ATOM 346 OE1 GLN A 23 -6.552 0.388 -3.113 1.00 0.00 O flip ATOM 347 NE2 GLN A 23 -6.723 2.253 -4.349 1.00 0.00 N flip ATOM 0 H GLN A 23 -5.626 2.695 0.585 1.00 0.00 H new ATOM 0 HA GLN A 23 -4.971 4.901 -1.148 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -7.361 3.049 -1.118 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -6.915 4.143 -2.412 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -4.734 2.893 -2.630 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -5.327 1.744 -1.448 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -6.546 3.251 -4.467 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -7.207 1.731 -5.079 1.00 0.00 H new ATOM 356 N ALA A 24 -7.358 5.036 1.094 1.00 0.00 N ATOM 357 CA ALA A 24 -8.269 5.888 1.834 1.00 0.00 C ATOM 358 C ALA A 24 -7.525 7.138 2.236 1.00 0.00 C ATOM 359 O ALA A 24 -7.941 8.255 1.931 1.00 0.00 O ATOM 360 CB ALA A 24 -8.767 5.162 3.074 1.00 0.00 C ATOM 0 H ALA A 24 -7.232 4.111 1.504 1.00 0.00 H new ATOM 0 HA ALA A 24 -9.129 6.144 1.215 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -9.451 5.809 3.624 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -9.288 4.251 2.778 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -7.920 4.905 3.710 1.00 0.00 H new ATOM 366 N ALA A 25 -6.392 6.923 2.896 1.00 0.00 N ATOM 367 CA ALA A 25 -5.536 8.004 3.324 1.00 0.00 C ATOM 368 C ALA A 25 -5.103 8.812 2.121 1.00 0.00 C ATOM 369 O ALA A 25 -5.172 10.032 2.139 1.00 0.00 O ATOM 370 CB ALA A 25 -4.322 7.460 4.060 1.00 0.00 C ATOM 0 H ALA A 25 -6.049 5.995 3.145 1.00 0.00 H new ATOM 0 HA ALA A 25 -6.089 8.648 4.008 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -3.687 8.288 4.376 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -4.649 6.899 4.935 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -3.759 6.803 3.397 1.00 0.00 H new ATOM 376 N PHE A 26 -4.672 8.107 1.073 1.00 0.00 N ATOM 377 CA PHE A 26 -4.225 8.727 -0.174 1.00 0.00 C ATOM 378 C PHE A 26 -5.194 9.780 -0.679 1.00 0.00 C ATOM 379 O PHE A 26 -4.772 10.744 -1.286 1.00 0.00 O ATOM 380 CB PHE A 26 -4.056 7.678 -1.272 1.00 0.00 C ATOM 381 CG PHE A 26 -2.642 7.246 -1.517 1.00 0.00 C ATOM 382 CD1 PHE A 26 -1.648 8.189 -1.733 1.00 0.00 C ATOM 383 CD2 PHE A 26 -2.308 5.900 -1.566 1.00 0.00 C ATOM 384 CE1 PHE A 26 -0.348 7.798 -1.983 1.00 0.00 C ATOM 385 CE2 PHE A 26 -1.012 5.505 -1.820 1.00 0.00 C ATOM 386 CZ PHE A 26 -0.030 6.453 -2.028 1.00 0.00 C ATOM 0 H PHE A 26 -4.623 7.088 1.066 1.00 0.00 H new ATOM 0 HA PHE A 26 -3.271 9.204 0.053 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -4.649 6.801 -1.012 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -4.466 8.075 -2.201 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -1.894 9.240 -1.705 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -3.072 5.154 -1.403 1.00 0.00 H new ATOM 0 HE1 PHE A 26 0.419 8.541 -2.143 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -0.765 4.454 -1.856 1.00 0.00 H new ATOM 0 HZ PHE A 26 0.986 6.144 -2.226 1.00 0.00 H new ATOM 396 N SER A 27 -6.493 9.592 -0.447 1.00 0.00 N ATOM 397 CA SER A 27 -7.497 10.553 -0.914 1.00 0.00 C ATOM 398 C SER A 27 -7.182 11.977 -0.434 1.00 0.00 C ATOM 399 O SER A 27 -7.441 12.954 -1.140 1.00 0.00 O ATOM 400 CB SER A 27 -8.892 10.129 -0.446 1.00 0.00 C ATOM 401 OG SER A 27 -9.887 11.006 -0.948 1.00 0.00 O ATOM 0 H SER A 27 -6.874 8.791 0.057 1.00 0.00 H new ATOM 0 HA SER A 27 -7.473 10.559 -2.004 1.00 0.00 H new ATOM 0 HB2 SER A 27 -9.097 9.112 -0.780 1.00 0.00 H new ATOM 0 HB3 SER A 27 -8.927 10.120 0.643 1.00 0.00 H new ATOM 0 HG SER A 27 -10.769 10.713 -0.636 1.00 0.00 H new ATOM 407 N GLN A 28 -6.613 12.086 0.760 1.00 0.00 N ATOM 408 CA GLN A 28 -6.250 13.377 1.336 1.00 0.00 C ATOM 409 C GLN A 28 -4.869 13.825 0.877 1.00 0.00 C ATOM 410 O GLN A 28 -4.488 14.978 1.059 1.00 0.00 O ATOM 411 CB GLN A 28 -6.272 13.309 2.867 1.00 0.00 C ATOM 412 CG GLN A 28 -7.650 13.104 3.474 1.00 0.00 C ATOM 413 CD GLN A 28 -8.193 11.698 3.305 1.00 0.00 C ATOM 414 OE1 GLN A 28 -7.599 10.730 3.782 1.00 0.00 O ATOM 415 NE2 GLN A 28 -9.326 11.572 2.627 1.00 0.00 N ATOM 0 H GLN A 28 -6.391 11.287 1.354 1.00 0.00 H new ATOM 0 HA GLN A 28 -6.986 14.103 0.990 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -5.623 12.495 3.190 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -5.849 14.232 3.264 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -7.607 13.341 4.537 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -8.346 13.809 3.018 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -9.788 12.398 2.247 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -9.735 10.649 2.485 1.00 0.00 H new ATOM 424 N TYR A 29 -4.123 12.924 0.281 1.00 0.00 N ATOM 425 CA TYR A 29 -2.796 13.263 -0.204 1.00 0.00 C ATOM 426 C TYR A 29 -2.834 13.426 -1.708 1.00 0.00 C ATOM 427 O TYR A 29 -1.937 13.998 -2.308 1.00 0.00 O ATOM 428 CB TYR A 29 -1.780 12.202 0.207 1.00 0.00 C ATOM 429 CG TYR A 29 -1.757 11.952 1.699 1.00 0.00 C ATOM 430 CD1 TYR A 29 -2.617 11.029 2.254 1.00 0.00 C ATOM 431 CD2 TYR A 29 -0.908 12.645 2.561 1.00 0.00 C ATOM 432 CE1 TYR A 29 -2.648 10.784 3.607 1.00 0.00 C ATOM 433 CE2 TYR A 29 -0.930 12.403 3.919 1.00 0.00 C ATOM 434 CZ TYR A 29 -1.800 11.467 4.437 1.00 0.00 C ATOM 435 OH TYR A 29 -1.828 11.228 5.791 1.00 0.00 O ATOM 0 H TYR A 29 -4.405 11.957 0.119 1.00 0.00 H new ATOM 0 HA TYR A 29 -2.483 14.206 0.245 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -2.008 11.269 -0.309 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -0.787 12.512 -0.119 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -3.287 10.482 1.607 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -0.225 13.380 2.161 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -3.337 10.058 4.012 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -0.267 12.946 4.576 1.00 0.00 H new ATOM 0 HH TYR A 29 -2.534 11.768 6.204 1.00 0.00 H new ATOM 445 N LYS A 30 -3.897 12.929 -2.306 1.00 0.00 N ATOM 446 CA LYS A 30 -4.088 13.011 -3.741 1.00 0.00 C ATOM 447 C LYS A 30 -4.209 14.457 -4.205 1.00 0.00 C ATOM 448 O LYS A 30 -4.035 14.741 -5.386 1.00 0.00 O ATOM 449 CB LYS A 30 -5.313 12.194 -4.171 1.00 0.00 C ATOM 450 CG LYS A 30 -4.993 10.728 -4.408 1.00 0.00 C ATOM 451 CD LYS A 30 -6.198 9.949 -4.922 1.00 0.00 C ATOM 452 CE LYS A 30 -5.825 8.505 -5.223 1.00 0.00 C ATOM 453 NZ LYS A 30 -6.965 7.728 -5.774 1.00 0.00 N ATOM 0 H LYS A 30 -4.654 12.456 -1.812 1.00 0.00 H new ATOM 0 HA LYS A 30 -3.206 12.585 -4.219 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -6.083 12.273 -3.404 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -5.727 12.622 -5.084 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -4.178 10.648 -5.127 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -4.643 10.280 -3.478 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -6.996 9.975 -4.180 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -6.585 10.424 -5.823 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -4.999 8.487 -5.934 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -5.470 8.026 -4.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -6.661 6.752 -5.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -7.745 7.721 -5.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -7.288 8.167 -6.660 1.00 0.00 H new ATOM 467 N LYS A 31 -4.491 15.383 -3.285 1.00 0.00 N ATOM 468 CA LYS A 31 -4.593 16.779 -3.690 1.00 0.00 C ATOM 469 C LYS A 31 -3.331 17.569 -3.315 1.00 0.00 C ATOM 470 O LYS A 31 -3.367 18.791 -3.190 1.00 0.00 O ATOM 471 CB LYS A 31 -5.856 17.462 -3.124 1.00 0.00 C ATOM 472 CG LYS A 31 -5.751 17.942 -1.678 1.00 0.00 C ATOM 473 CD LYS A 31 -6.187 16.885 -0.676 1.00 0.00 C ATOM 474 CE LYS A 31 -6.113 17.403 0.758 1.00 0.00 C ATOM 475 NZ LYS A 31 -6.908 18.644 0.971 1.00 0.00 N ATOM 0 H LYS A 31 -4.647 15.199 -2.294 1.00 0.00 H new ATOM 0 HA LYS A 31 -4.683 16.780 -4.776 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -6.100 18.316 -3.755 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -6.689 16.763 -3.197 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -4.721 18.232 -1.469 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -6.365 18.833 -1.550 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -7.207 16.572 -0.898 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -5.554 16.004 -0.778 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -6.470 16.629 1.437 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -5.072 17.597 1.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -7.118 18.752 1.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -6.364 19.466 0.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -7.799 18.581 0.438 1.00 0.00 H new ATOM 489 N VAL A 32 -2.208 16.879 -3.141 1.00 0.00 N ATOM 490 CA VAL A 32 -0.958 17.560 -2.787 1.00 0.00 C ATOM 491 C VAL A 32 0.126 17.353 -3.846 1.00 0.00 C ATOM 492 O VAL A 32 1.145 18.029 -3.843 1.00 0.00 O ATOM 493 CB VAL A 32 -0.407 17.092 -1.419 1.00 0.00 C ATOM 494 CG1 VAL A 32 -1.502 17.096 -0.361 1.00 0.00 C ATOM 495 CG2 VAL A 32 0.229 15.715 -1.510 1.00 0.00 C ATOM 0 H VAL A 32 -2.133 15.866 -3.236 1.00 0.00 H new ATOM 0 HA VAL A 32 -1.208 18.619 -2.729 1.00 0.00 H new ATOM 0 HB VAL A 32 0.367 17.801 -1.125 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -1.089 16.763 0.591 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -1.899 18.105 -0.252 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -2.303 16.422 -0.664 1.00 0.00 H new ATOM 0 HG21 VAL A 32 0.604 15.422 -0.529 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -0.515 14.992 -1.845 1.00 0.00 H new ATOM 0 HG23 VAL A 32 1.055 15.742 -2.221 1.00 0.00 H new ATOM 505 N GLU A 33 -0.097 16.392 -4.719 1.00 0.00 N ATOM 506 CA GLU A 33 0.862 16.049 -5.775 1.00 0.00 C ATOM 507 C GLU A 33 0.872 17.059 -6.921 1.00 0.00 C ATOM 508 O GLU A 33 1.857 17.187 -7.650 1.00 0.00 O ATOM 509 CB GLU A 33 0.483 14.696 -6.374 1.00 0.00 C ATOM 510 CG GLU A 33 -0.848 14.734 -7.124 1.00 0.00 C ATOM 511 CD GLU A 33 -1.080 13.524 -7.998 1.00 0.00 C ATOM 512 OE1 GLU A 33 -0.227 13.254 -8.867 1.00 0.00 O ATOM 513 OE2 GLU A 33 -2.124 12.864 -7.840 1.00 0.00 O ATOM 0 H GLU A 33 -0.943 15.822 -4.725 1.00 0.00 H new ATOM 0 HA GLU A 33 1.848 16.039 -5.310 1.00 0.00 H new ATOM 0 HB2 GLU A 33 1.270 14.372 -7.055 1.00 0.00 H new ATOM 0 HB3 GLU A 33 0.425 13.954 -5.577 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -1.661 14.813 -6.402 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -0.883 15.631 -7.742 1.00 0.00 H new ATOM 520 N LEU A 34 -0.271 17.687 -7.124 1.00 0.00 N ATOM 521 CA LEU A 34 -0.488 18.608 -8.233 1.00 0.00 C ATOM 522 C LEU A 34 -0.173 20.056 -7.892 1.00 0.00 C ATOM 523 O LEU A 34 0.395 20.768 -8.718 1.00 0.00 O ATOM 524 CB LEU A 34 -1.940 18.459 -8.668 1.00 0.00 C ATOM 525 CG LEU A 34 -2.774 17.600 -7.709 1.00 0.00 C ATOM 526 CD1 LEU A 34 -3.493 18.455 -6.694 1.00 0.00 C ATOM 527 CD2 LEU A 34 -3.767 16.753 -8.455 1.00 0.00 C ATOM 0 H LEU A 34 -1.085 17.574 -6.520 1.00 0.00 H new ATOM 0 HA LEU A 34 0.200 18.352 -9.039 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -2.392 19.448 -8.746 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.971 18.015 -9.663 1.00 0.00 H new ATOM 0 HG LEU A 34 -2.081 16.942 -7.185 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -4.075 17.818 -6.029 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -2.764 19.018 -6.111 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -4.159 19.148 -7.208 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -4.342 16.157 -7.746 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -4.442 17.396 -9.019 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -3.238 16.091 -9.141 1.00 0.00 H new ATOM 539 N PHE A 35 -0.573 20.483 -6.697 1.00 0.00 N ATOM 540 CA PHE A 35 -0.347 21.874 -6.254 1.00 0.00 C ATOM 541 C PHE A 35 1.090 22.330 -6.553 1.00 0.00 C ATOM 542 O PHE A 35 1.297 23.242 -7.359 1.00 0.00 O ATOM 543 CB PHE A 35 -0.677 22.070 -4.761 1.00 0.00 C ATOM 544 CG PHE A 35 -2.129 21.919 -4.412 1.00 0.00 C ATOM 545 CD1 PHE A 35 -3.018 21.368 -5.309 1.00 0.00 C ATOM 546 CD2 PHE A 35 -2.598 22.334 -3.179 1.00 0.00 C ATOM 547 CE1 PHE A 35 -4.354 21.232 -4.989 1.00 0.00 C ATOM 548 CE2 PHE A 35 -3.931 22.203 -2.849 1.00 0.00 C ATOM 549 CZ PHE A 35 -4.811 21.654 -3.759 1.00 0.00 C ATOM 0 H PHE A 35 -1.053 19.897 -6.015 1.00 0.00 H new ATOM 0 HA PHE A 35 -1.033 22.499 -6.826 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -0.101 21.351 -4.179 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -0.346 23.063 -4.458 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -2.665 21.038 -6.275 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -1.912 22.766 -2.465 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -5.039 20.796 -5.701 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -4.285 22.529 -1.882 1.00 0.00 H new ATOM 0 HZ PHE A 35 -5.857 21.555 -3.508 1.00 0.00 H new ATOM 559 N PRO A 36 2.110 21.700 -5.935 1.00 0.00 N ATOM 560 CA PRO A 36 3.511 22.047 -6.179 1.00 0.00 C ATOM 561 C PRO A 36 4.034 21.388 -7.456 1.00 0.00 C ATOM 562 O PRO A 36 3.359 20.547 -8.050 1.00 0.00 O ATOM 563 CB PRO A 36 4.217 21.466 -4.960 1.00 0.00 C ATOM 564 CG PRO A 36 3.415 20.258 -4.617 1.00 0.00 C ATOM 565 CD PRO A 36 1.987 20.598 -4.964 1.00 0.00 C ATOM 0 HA PRO A 36 3.666 23.118 -6.313 1.00 0.00 H new ATOM 0 HB2 PRO A 36 5.252 21.207 -5.184 1.00 0.00 H new ATOM 0 HB3 PRO A 36 4.238 22.178 -4.135 1.00 0.00 H new ATOM 0 HG2 PRO A 36 3.757 19.389 -5.179 1.00 0.00 H new ATOM 0 HG3 PRO A 36 3.512 20.012 -3.560 1.00 0.00 H new ATOM 0 HD2 PRO A 36 1.466 19.743 -5.394 1.00 0.00 H new ATOM 0 HD3 PRO A 36 1.424 20.904 -4.082 1.00 0.00 H new ATOM 573 N ASN A 37 5.236 21.754 -7.875 1.00 0.00 N ATOM 574 CA ASN A 37 5.815 21.166 -9.077 1.00 0.00 C ATOM 575 C ASN A 37 7.090 20.398 -8.743 1.00 0.00 C ATOM 576 O ASN A 37 7.039 19.199 -8.458 1.00 0.00 O ATOM 577 CB ASN A 37 6.097 22.237 -10.134 1.00 0.00 C ATOM 578 CG ASN A 37 6.517 21.635 -11.460 1.00 0.00 C ATOM 579 OD1 ASN A 37 5.791 20.827 -12.042 1.00 0.00 O ATOM 580 ND2 ASN A 37 7.691 22.018 -11.945 1.00 0.00 N ATOM 0 H ASN A 37 5.824 22.445 -7.409 1.00 0.00 H new ATOM 0 HA ASN A 37 5.088 20.466 -9.489 1.00 0.00 H new ATOM 0 HB2 ASN A 37 5.204 22.846 -10.279 1.00 0.00 H new ATOM 0 HB3 ASN A 37 6.882 22.903 -9.774 1.00 0.00 H new ATOM 0 HD21 ASN A 37 8.024 21.641 -12.832 1.00 0.00 H new ATOM 0 HD22 ASN A 37 8.261 22.690 -11.430 1.00 0.00 H new ATOM 587 N GLY A 38 8.230 21.085 -8.774 1.00 0.00 N ATOM 588 CA GLY A 38 9.497 20.440 -8.474 1.00 0.00 C ATOM 589 C GLY A 38 9.894 19.459 -9.553 1.00 0.00 C ATOM 590 O GLY A 38 9.999 18.258 -9.303 1.00 0.00 O ATOM 0 H GLY A 38 8.298 22.077 -9.002 1.00 0.00 H new ATOM 0 HA2 GLY A 38 10.274 21.197 -8.366 1.00 0.00 H new ATOM 0 HA3 GLY A 38 9.424 19.920 -7.519 1.00 0.00 H new ATOM 594 N GLY A 39 10.089 19.963 -10.766 1.00 0.00 N ATOM 595 CA GLY A 39 10.449 19.100 -11.871 1.00 0.00 C ATOM 596 C GLY A 39 9.225 18.532 -12.540 1.00 0.00 C ATOM 597 O GLY A 39 8.594 19.200 -13.358 1.00 0.00 O ATOM 0 H GLY A 39 10.004 20.952 -11.002 1.00 0.00 H new ATOM 0 HA2 GLY A 39 11.036 19.661 -12.598 1.00 0.00 H new ATOM 0 HA3 GLY A 39 11.080 18.287 -11.511 1.00 0.00 H new ATOM 601 N ILE A 40 8.873 17.305 -12.184 1.00 0.00 N ATOM 602 CA ILE A 40 7.701 16.663 -12.751 1.00 0.00 C ATOM 603 C ILE A 40 6.760 16.201 -11.646 1.00 0.00 C ATOM 604 O ILE A 40 7.253 15.785 -10.581 1.00 0.00 O ATOM 605 CB ILE A 40 8.074 15.460 -13.648 1.00 0.00 C ATOM 606 CG1 ILE A 40 8.888 14.424 -12.869 1.00 0.00 C ATOM 607 CG2 ILE A 40 8.851 15.926 -14.871 1.00 0.00 C ATOM 608 CD1 ILE A 40 9.222 13.190 -13.672 1.00 0.00 C ATOM 609 OXT ILE A 40 5.534 16.265 -11.845 1.00 0.00 O ATOM 0 H ILE A 40 9.382 16.737 -11.507 1.00 0.00 H new ATOM 0 HA ILE A 40 7.201 17.405 -13.373 1.00 0.00 H new ATOM 0 HB ILE A 40 7.148 14.989 -13.978 1.00 0.00 H new ATOM 0 HG12 ILE A 40 9.814 14.885 -12.525 1.00 0.00 H new ATOM 0 HG13 ILE A 40 8.330 14.129 -11.980 1.00 0.00 H new ATOM 0 HG21 ILE A 40 9.105 15.066 -15.490 1.00 0.00 H new ATOM 0 HG22 ILE A 40 8.240 16.620 -15.447 1.00 0.00 H new ATOM 0 HG23 ILE A 40 9.766 16.426 -14.552 1.00 0.00 H new ATOM 0 HD11 ILE A 40 9.800 12.500 -13.056 1.00 0.00 H new ATOM 0 HD12 ILE A 40 8.300 12.705 -13.994 1.00 0.00 H new ATOM 0 HD13 ILE A 40 9.808 13.473 -14.547 1.00 0.00 H new TER 621 ILE A 40 ATOM 622 N GLY B 41 0.858 -28.341 -3.724 1.00 0.00 N ATOM 623 CA GLY B 41 0.396 -28.974 -2.462 1.00 0.00 C ATOM 624 C GLY B 41 0.716 -28.137 -1.239 1.00 0.00 C ATOM 625 O GLY B 41 0.853 -26.916 -1.335 1.00 0.00 O ATOM 0 HA2 GLY B 41 -0.680 -29.137 -2.515 1.00 0.00 H new ATOM 0 HA3 GLY B 41 0.862 -29.954 -2.359 1.00 0.00 H new ATOM 631 N LEU B 42 0.835 -28.796 -0.086 1.00 0.00 N ATOM 632 CA LEU B 42 1.143 -28.117 1.179 1.00 0.00 C ATOM 633 C LEU B 42 2.431 -27.295 1.091 1.00 0.00 C ATOM 634 O LEU B 42 2.409 -26.111 1.406 1.00 0.00 O ATOM 635 CB LEU B 42 1.218 -29.123 2.334 1.00 0.00 C ATOM 636 CG LEU B 42 -0.101 -29.372 3.079 1.00 0.00 C ATOM 637 CD1 LEU B 42 -1.288 -29.458 2.134 1.00 0.00 C ATOM 638 CD2 LEU B 42 -0.010 -30.614 3.950 1.00 0.00 C ATOM 0 H LEU B 42 0.722 -29.806 0.001 1.00 0.00 H new ATOM 0 HA LEU B 42 0.328 -27.421 1.378 1.00 0.00 H new ATOM 0 HB2 LEU B 42 1.579 -30.074 1.942 1.00 0.00 H new ATOM 0 HB3 LEU B 42 1.960 -28.772 3.051 1.00 0.00 H new ATOM 0 HG LEU B 42 -0.268 -28.510 3.725 1.00 0.00 H new ATOM 0 HD11 LEU B 42 -2.198 -29.635 2.708 1.00 0.00 H new ATOM 0 HD12 LEU B 42 -1.383 -28.522 1.583 1.00 0.00 H new ATOM 0 HD13 LEU B 42 -1.136 -30.278 1.433 1.00 0.00 H new ATOM 0 HD21 LEU B 42 -0.958 -30.767 4.466 1.00 0.00 H new ATOM 0 HD22 LEU B 42 0.207 -31.481 3.326 1.00 0.00 H new ATOM 0 HD23 LEU B 42 0.786 -30.486 4.684 1.00 0.00 H new ATOM 650 N PRO B 43 3.579 -27.903 0.695 1.00 0.00 N ATOM 651 CA PRO B 43 4.855 -27.200 0.597 1.00 0.00 C ATOM 652 C PRO B 43 4.721 -25.829 -0.073 1.00 0.00 C ATOM 653 O PRO B 43 5.300 -24.841 0.380 1.00 0.00 O ATOM 654 CB PRO B 43 5.708 -28.109 -0.284 1.00 0.00 C ATOM 655 CG PRO B 43 5.158 -29.478 -0.090 1.00 0.00 C ATOM 656 CD PRO B 43 3.729 -29.325 0.372 1.00 0.00 C ATOM 0 HA PRO B 43 5.275 -27.010 1.585 1.00 0.00 H new ATOM 0 HB2 PRO B 43 5.652 -27.808 -1.330 1.00 0.00 H new ATOM 0 HB3 PRO B 43 6.758 -28.063 0.005 1.00 0.00 H new ATOM 0 HG2 PRO B 43 5.203 -30.046 -1.019 1.00 0.00 H new ATOM 0 HG3 PRO B 43 5.744 -30.027 0.647 1.00 0.00 H new ATOM 0 HD2 PRO B 43 3.029 -29.628 -0.407 1.00 0.00 H new ATOM 0 HD3 PRO B 43 3.528 -29.950 1.242 1.00 0.00 H new ATOM 664 N ASP B 44 3.942 -25.791 -1.158 1.00 0.00 N ATOM 665 CA ASP B 44 3.703 -24.562 -1.915 1.00 0.00 C ATOM 666 C ASP B 44 2.978 -23.531 -1.061 1.00 0.00 C ATOM 667 O ASP B 44 3.258 -22.339 -1.147 1.00 0.00 O ATOM 668 CB ASP B 44 2.872 -24.855 -3.171 1.00 0.00 C ATOM 669 CG ASP B 44 3.602 -25.712 -4.181 1.00 0.00 C ATOM 670 OD1 ASP B 44 4.817 -25.932 -4.015 1.00 0.00 O ATOM 671 OD2 ASP B 44 2.961 -26.159 -5.152 1.00 0.00 O ATOM 0 H ASP B 44 3.462 -26.609 -1.534 1.00 0.00 H new ATOM 0 HA ASP B 44 4.673 -24.161 -2.210 1.00 0.00 H new ATOM 0 HB2 ASP B 44 1.949 -25.355 -2.879 1.00 0.00 H new ATOM 0 HB3 ASP B 44 2.590 -23.913 -3.640 1.00 0.00 H new ATOM 676 N VAL B 45 2.055 -24.003 -0.237 1.00 0.00 N ATOM 677 CA VAL B 45 1.293 -23.132 0.646 1.00 0.00 C ATOM 678 C VAL B 45 2.210 -22.508 1.689 1.00 0.00 C ATOM 679 O VAL B 45 2.095 -21.323 2.001 1.00 0.00 O ATOM 680 CB VAL B 45 0.169 -23.912 1.362 1.00 0.00 C ATOM 681 CG1 VAL B 45 -0.686 -22.992 2.214 1.00 0.00 C ATOM 682 CG2 VAL B 45 -0.704 -24.643 0.361 1.00 0.00 C ATOM 0 H VAL B 45 1.814 -24.991 -0.161 1.00 0.00 H new ATOM 0 HA VAL B 45 0.844 -22.349 0.034 1.00 0.00 H new ATOM 0 HB VAL B 45 0.646 -24.642 2.015 1.00 0.00 H new ATOM 0 HG11 VAL B 45 -1.468 -23.572 2.704 1.00 0.00 H new ATOM 0 HG12 VAL B 45 -0.063 -22.512 2.969 1.00 0.00 H new ATOM 0 HG13 VAL B 45 -1.142 -22.230 1.582 1.00 0.00 H new ATOM 0 HG21 VAL B 45 -1.488 -25.185 0.890 1.00 0.00 H new ATOM 0 HG22 VAL B 45 -1.157 -23.923 -0.321 1.00 0.00 H new ATOM 0 HG23 VAL B 45 -0.096 -25.347 -0.206 1.00 0.00 H new ATOM 692 N ALA B 46 3.138 -23.294 2.219 1.00 0.00 N ATOM 693 CA ALA B 46 4.075 -22.775 3.207 1.00 0.00 C ATOM 694 C ALA B 46 5.037 -21.809 2.535 1.00 0.00 C ATOM 695 O ALA B 46 5.407 -20.783 3.098 1.00 0.00 O ATOM 696 CB ALA B 46 4.816 -23.899 3.899 1.00 0.00 C ATOM 0 H ALA B 46 3.262 -24.279 1.986 1.00 0.00 H new ATOM 0 HA ALA B 46 3.519 -22.238 3.976 1.00 0.00 H new ATOM 0 HB1 ALA B 46 5.508 -23.482 4.631 1.00 0.00 H new ATOM 0 HB2 ALA B 46 4.102 -24.549 4.404 1.00 0.00 H new ATOM 0 HB3 ALA B 46 5.373 -24.476 3.161 1.00 0.00 H new ATOM 702 N SER B 47 5.394 -22.115 1.299 1.00 0.00 N ATOM 703 CA SER B 47 6.260 -21.245 0.521 1.00 0.00 C ATOM 704 C SER B 47 5.486 -19.981 0.163 1.00 0.00 C ATOM 705 O SER B 47 6.052 -18.937 -0.158 1.00 0.00 O ATOM 706 CB SER B 47 6.709 -21.963 -0.751 1.00 0.00 C ATOM 707 OG SER B 47 7.347 -23.194 -0.445 1.00 0.00 O ATOM 0 H SER B 47 5.097 -22.961 0.812 1.00 0.00 H new ATOM 0 HA SER B 47 7.144 -20.983 1.102 1.00 0.00 H new ATOM 0 HB2 SER B 47 5.847 -22.146 -1.392 1.00 0.00 H new ATOM 0 HB3 SER B 47 7.393 -21.325 -1.311 1.00 0.00 H new ATOM 0 HG SER B 47 6.672 -23.860 -0.200 1.00 0.00 H new ATOM 713 N LEU B 48 4.174 -20.087 0.233 1.00 0.00 N ATOM 714 CA LEU B 48 3.308 -18.975 -0.075 1.00 0.00 C ATOM 715 C LEU B 48 3.366 -17.924 1.021 1.00 0.00 C ATOM 716 O LEU B 48 3.185 -16.736 0.761 1.00 0.00 O ATOM 717 CB LEU B 48 1.877 -19.470 -0.269 1.00 0.00 C ATOM 718 CG LEU B 48 0.890 -18.425 -0.765 1.00 0.00 C ATOM 719 CD1 LEU B 48 1.238 -18.028 -2.186 1.00 0.00 C ATOM 720 CD2 LEU B 48 -0.532 -18.959 -0.712 1.00 0.00 C ATOM 0 H LEU B 48 3.685 -20.940 0.503 1.00 0.00 H new ATOM 0 HA LEU B 48 3.651 -18.513 -1.001 1.00 0.00 H new ATOM 0 HB2 LEU B 48 1.890 -20.299 -0.977 1.00 0.00 H new ATOM 0 HB3 LEU B 48 1.515 -19.866 0.680 1.00 0.00 H new ATOM 0 HG LEU B 48 0.954 -17.551 -0.117 1.00 0.00 H new ATOM 0 HD11 LEU B 48 0.529 -17.279 -2.539 1.00 0.00 H new ATOM 0 HD12 LEU B 48 2.246 -17.614 -2.212 1.00 0.00 H new ATOM 0 HD13 LEU B 48 1.190 -18.905 -2.831 1.00 0.00 H new ATOM 0 HD21 LEU B 48 -1.221 -18.195 -1.071 1.00 0.00 H new ATOM 0 HD22 LEU B 48 -0.612 -19.845 -1.342 1.00 0.00 H new ATOM 0 HD23 LEU B 48 -0.784 -19.221 0.316 1.00 0.00 H new ATOM 732 N ARG B 49 3.640 -18.369 2.242 1.00 0.00 N ATOM 733 CA ARG B 49 3.749 -17.474 3.389 1.00 0.00 C ATOM 734 C ARG B 49 4.882 -16.476 3.165 1.00 0.00 C ATOM 735 O ARG B 49 4.892 -15.391 3.744 1.00 0.00 O ATOM 736 CB ARG B 49 4.037 -18.260 4.678 1.00 0.00 C ATOM 737 CG ARG B 49 3.308 -19.593 4.800 1.00 0.00 C ATOM 738 CD ARG B 49 1.807 -19.419 4.872 1.00 0.00 C ATOM 739 NE ARG B 49 1.392 -18.662 6.055 1.00 0.00 N ATOM 740 CZ ARG B 49 1.359 -19.165 7.289 1.00 0.00 C ATOM 741 NH1 ARG B 49 1.643 -20.443 7.497 1.00 0.00 N ATOM 742 NH2 ARG B 49 1.021 -18.392 8.309 1.00 0.00 N ATOM 0 H ARG B 49 3.792 -19.353 2.464 1.00 0.00 H new ATOM 0 HA ARG B 49 2.799 -16.950 3.494 1.00 0.00 H new ATOM 0 HB2 ARG B 49 5.110 -18.443 4.741 1.00 0.00 H new ATOM 0 HB3 ARG B 49 3.769 -17.638 5.532 1.00 0.00 H new ATOM 0 HG2 ARG B 49 3.559 -20.222 3.946 1.00 0.00 H new ATOM 0 HG3 ARG B 49 3.655 -20.115 5.692 1.00 0.00 H new ATOM 0 HD2 ARG B 49 1.459 -18.907 3.975 1.00 0.00 H new ATOM 0 HD3 ARG B 49 1.330 -20.399 4.884 1.00 0.00 H new ATOM 0 HE ARG B 49 1.111 -17.690 5.927 1.00 0.00 H new ATOM 0 HH11 ARG B 49 1.888 -21.045 6.711 1.00 0.00 H new ATOM 0 HH12 ARG B 49 1.617 -20.824 8.443 1.00 0.00 H new ATOM 0 HH21 ARG B 49 0.786 -17.412 8.150 1.00 0.00 H new ATOM 0 HH22 ARG B 49 0.996 -18.776 9.254 1.00 0.00 H new ATOM 756 N GLN B 50 5.835 -16.859 2.320 1.00 0.00 N ATOM 757 CA GLN B 50 6.979 -16.012 2.019 1.00 0.00 C ATOM 758 C GLN B 50 6.546 -14.845 1.140 1.00 0.00 C ATOM 759 O GLN B 50 7.014 -13.717 1.303 1.00 0.00 O ATOM 760 CB GLN B 50 8.062 -16.846 1.337 1.00 0.00 C ATOM 761 CG GLN B 50 8.037 -18.309 1.762 1.00 0.00 C ATOM 762 CD GLN B 50 9.266 -19.083 1.327 1.00 0.00 C ATOM 763 OE1 GLN B 50 10.179 -18.410 0.636 1.00 0.00 O flip ATOM 764 NE2 GLN B 50 9.392 -20.278 1.605 1.00 0.00 N flip ATOM 0 H GLN B 50 5.835 -17.754 1.831 1.00 0.00 H new ATOM 0 HA GLN B 50 7.388 -15.602 2.943 1.00 0.00 H new ATOM 0 HB2 GLN B 50 7.935 -16.784 0.256 1.00 0.00 H new ATOM 0 HB3 GLN B 50 9.039 -16.422 1.568 1.00 0.00 H new ATOM 0 HG2 GLN B 50 7.948 -18.363 2.847 1.00 0.00 H new ATOM 0 HG3 GLN B 50 7.150 -18.786 1.345 1.00 0.00 H new ATOM 0 HE21 GLN B 50 8.666 -20.757 2.138 1.00 0.00 H new ATOM 0 HE22 GLN B 50 10.222 -20.787 1.302 1.00 0.00 H new ATOM 773 N GLN B 51 5.615 -15.121 0.232 1.00 0.00 N ATOM 774 CA GLN B 51 5.071 -14.099 -0.654 1.00 0.00 C ATOM 775 C GLN B 51 4.199 -13.140 0.150 1.00 0.00 C ATOM 776 O GLN B 51 4.040 -11.975 -0.204 1.00 0.00 O ATOM 777 CB GLN B 51 4.253 -14.745 -1.777 1.00 0.00 C ATOM 778 CG GLN B 51 5.061 -15.692 -2.651 1.00 0.00 C ATOM 779 CD GLN B 51 6.203 -14.993 -3.356 1.00 0.00 C ATOM 780 OE1 GLN B 51 5.991 -14.049 -4.115 1.00 0.00 O ATOM 781 NE2 GLN B 51 7.420 -15.454 -3.116 1.00 0.00 N ATOM 0 H GLN B 51 5.220 -16.051 0.091 1.00 0.00 H new ATOM 0 HA GLN B 51 5.894 -13.544 -1.105 1.00 0.00 H new ATOM 0 HB2 GLN B 51 3.418 -15.292 -1.339 1.00 0.00 H new ATOM 0 HB3 GLN B 51 3.827 -13.961 -2.403 1.00 0.00 H new ATOM 0 HG2 GLN B 51 5.457 -16.500 -2.036 1.00 0.00 H new ATOM 0 HG3 GLN B 51 4.404 -16.148 -3.392 1.00 0.00 H new ATOM 0 HE21 GLN B 51 7.551 -16.240 -2.479 1.00 0.00 H new ATOM 0 HE22 GLN B 51 8.227 -15.024 -3.568 1.00 0.00 H new ATOM 790 N VAL B 52 3.662 -13.646 1.249 1.00 0.00 N ATOM 791 CA VAL B 52 2.829 -12.860 2.147 1.00 0.00 C ATOM 792 C VAL B 52 3.706 -11.919 2.952 1.00 0.00 C ATOM 793 O VAL B 52 3.361 -10.759 3.154 1.00 0.00 O ATOM 794 CB VAL B 52 2.063 -13.783 3.123 1.00 0.00 C ATOM 795 CG1 VAL B 52 1.172 -13.004 4.067 1.00 0.00 C ATOM 796 CG2 VAL B 52 1.285 -14.855 2.384 1.00 0.00 C ATOM 0 H VAL B 52 3.791 -14.614 1.544 1.00 0.00 H new ATOM 0 HA VAL B 52 2.112 -12.295 1.551 1.00 0.00 H new ATOM 0 HB VAL B 52 2.813 -14.284 3.735 1.00 0.00 H new ATOM 0 HG11 VAL B 52 0.655 -13.695 4.733 1.00 0.00 H new ATOM 0 HG12 VAL B 52 1.779 -12.317 4.657 1.00 0.00 H new ATOM 0 HG13 VAL B 52 0.439 -12.438 3.492 1.00 0.00 H new ATOM 0 HG21 VAL B 52 0.760 -15.484 3.103 1.00 0.00 H new ATOM 0 HG22 VAL B 52 0.562 -14.385 1.717 1.00 0.00 H new ATOM 0 HG23 VAL B 52 1.973 -15.467 1.801 1.00 0.00 H new ATOM 806 N GLU B 53 4.857 -12.429 3.388 1.00 0.00 N ATOM 807 CA GLU B 53 5.812 -11.635 4.146 1.00 0.00 C ATOM 808 C GLU B 53 6.275 -10.483 3.262 1.00 0.00 C ATOM 809 O GLU B 53 6.524 -9.369 3.723 1.00 0.00 O ATOM 810 CB GLU B 53 7.010 -12.503 4.565 1.00 0.00 C ATOM 811 CG GLU B 53 7.979 -11.821 5.516 1.00 0.00 C ATOM 812 CD GLU B 53 7.431 -11.684 6.915 1.00 0.00 C ATOM 813 OE1 GLU B 53 6.339 -12.216 7.185 1.00 0.00 O ATOM 814 OE2 GLU B 53 8.107 -11.060 7.756 1.00 0.00 O ATOM 0 H GLU B 53 5.148 -13.393 3.226 1.00 0.00 H new ATOM 0 HA GLU B 53 5.346 -11.248 5.052 1.00 0.00 H new ATOM 0 HB2 GLU B 53 6.637 -13.412 5.037 1.00 0.00 H new ATOM 0 HB3 GLU B 53 7.553 -12.808 3.670 1.00 0.00 H new ATOM 0 HG2 GLU B 53 8.908 -12.390 5.549 1.00 0.00 H new ATOM 0 HG3 GLU B 53 8.224 -10.832 5.129 1.00 0.00 H new ATOM 821 N ALA B 54 6.346 -10.786 1.975 1.00 0.00 N ATOM 822 CA ALA B 54 6.728 -9.832 0.951 1.00 0.00 C ATOM 823 C ALA B 54 5.703 -8.721 0.837 1.00 0.00 C ATOM 824 O ALA B 54 6.027 -7.539 0.914 1.00 0.00 O ATOM 825 CB ALA B 54 6.791 -10.551 -0.368 1.00 0.00 C ATOM 0 H ALA B 54 6.137 -11.715 1.610 1.00 0.00 H new ATOM 0 HA ALA B 54 7.693 -9.399 1.216 1.00 0.00 H new ATOM 0 HB1 ALA B 54 7.077 -9.849 -1.152 1.00 0.00 H new ATOM 0 HB2 ALA B 54 7.528 -11.352 -0.311 1.00 0.00 H new ATOM 0 HB3 ALA B 54 5.813 -10.974 -0.599 1.00 0.00 H new ATOM 831 N LEU B 55 4.461 -9.139 0.623 1.00 0.00 N ATOM 832 CA LEU B 55 3.336 -8.233 0.465 1.00 0.00 C ATOM 833 C LEU B 55 3.204 -7.290 1.651 1.00 0.00 C ATOM 834 O LEU B 55 3.004 -6.087 1.480 1.00 0.00 O ATOM 835 CB LEU B 55 2.047 -9.043 0.304 1.00 0.00 C ATOM 836 CG LEU B 55 1.914 -9.794 -1.023 1.00 0.00 C ATOM 837 CD1 LEU B 55 0.644 -10.621 -1.038 1.00 0.00 C ATOM 838 CD2 LEU B 55 1.927 -8.827 -2.200 1.00 0.00 C ATOM 0 H LEU B 55 4.207 -10.125 0.554 1.00 0.00 H new ATOM 0 HA LEU B 55 3.512 -7.628 -0.425 1.00 0.00 H new ATOM 0 HB2 LEU B 55 1.985 -9.764 1.119 1.00 0.00 H new ATOM 0 HB3 LEU B 55 1.197 -8.369 0.409 1.00 0.00 H new ATOM 0 HG LEU B 55 2.770 -10.462 -1.120 1.00 0.00 H new ATOM 0 HD11 LEU B 55 0.565 -11.149 -1.988 1.00 0.00 H new ATOM 0 HD12 LEU B 55 0.671 -11.344 -0.223 1.00 0.00 H new ATOM 0 HD13 LEU B 55 -0.218 -9.966 -0.914 1.00 0.00 H new ATOM 0 HD21 LEU B 55 1.831 -9.386 -3.131 1.00 0.00 H new ATOM 0 HD22 LEU B 55 1.094 -8.130 -2.108 1.00 0.00 H new ATOM 0 HD23 LEU B 55 2.865 -8.272 -2.205 1.00 0.00 H new ATOM 850 N GLN B 56 3.324 -7.838 2.850 1.00 0.00 N ATOM 851 CA GLN B 56 3.207 -7.026 4.056 1.00 0.00 C ATOM 852 C GLN B 56 4.437 -6.150 4.241 1.00 0.00 C ATOM 853 O GLN B 56 4.351 -5.091 4.847 1.00 0.00 O ATOM 854 CB GLN B 56 2.946 -7.884 5.299 1.00 0.00 C ATOM 855 CG GLN B 56 4.037 -8.887 5.628 1.00 0.00 C ATOM 856 CD GLN B 56 3.697 -9.714 6.847 1.00 0.00 C ATOM 857 OE1 GLN B 56 3.544 -11.017 6.658 1.00 0.00 O flip ATOM 858 NE2 GLN B 56 3.563 -9.186 7.950 1.00 0.00 N flip ATOM 0 H GLN B 56 3.500 -8.829 3.016 1.00 0.00 H new ATOM 0 HA GLN B 56 2.342 -6.375 3.929 1.00 0.00 H new ATOM 0 HB2 GLN B 56 2.810 -7.224 6.156 1.00 0.00 H new ATOM 0 HB3 GLN B 56 2.009 -8.422 5.160 1.00 0.00 H new ATOM 0 HG2 GLN B 56 4.193 -9.547 4.774 1.00 0.00 H new ATOM 0 HG3 GLN B 56 4.975 -8.359 5.798 1.00 0.00 H new ATOM 0 HE21 GLN B 56 3.690 -8.179 8.052 1.00 0.00 H new ATOM 0 HE22 GLN B 56 3.325 -9.755 8.762 1.00 0.00 H new ATOM 867 N GLY B 57 5.567 -6.569 3.679 1.00 0.00 N ATOM 868 CA GLY B 57 6.772 -5.764 3.767 1.00 0.00 C ATOM 869 C GLY B 57 6.608 -4.496 2.954 1.00 0.00 C ATOM 870 O GLY B 57 7.141 -3.432 3.291 1.00 0.00 O ATOM 0 H GLY B 57 5.670 -7.446 3.168 1.00 0.00 H new ATOM 0 HA2 GLY B 57 6.977 -5.514 4.808 1.00 0.00 H new ATOM 0 HA3 GLY B 57 7.627 -6.333 3.401 1.00 0.00 H new ATOM 874 N GLN B 58 5.826 -4.606 1.890 1.00 0.00 N ATOM 875 CA GLN B 58 5.542 -3.477 1.030 1.00 0.00 C ATOM 876 C GLN B 58 4.609 -2.504 1.741 1.00 0.00 C ATOM 877 O GLN B 58 4.783 -1.292 1.669 1.00 0.00 O ATOM 878 CB GLN B 58 4.901 -3.952 -0.271 1.00 0.00 C ATOM 879 CG GLN B 58 5.761 -4.914 -1.075 1.00 0.00 C ATOM 880 CD GLN B 58 6.980 -4.252 -1.674 1.00 0.00 C ATOM 881 OE1 GLN B 58 7.844 -3.750 -0.956 1.00 0.00 O ATOM 882 NE2 GLN B 58 7.052 -4.233 -2.997 1.00 0.00 N ATOM 0 H GLN B 58 5.376 -5.475 1.604 1.00 0.00 H new ATOM 0 HA GLN B 58 6.478 -2.970 0.797 1.00 0.00 H new ATOM 0 HB2 GLN B 58 3.953 -4.437 -0.040 1.00 0.00 H new ATOM 0 HB3 GLN B 58 4.673 -3.083 -0.889 1.00 0.00 H new ATOM 0 HG2 GLN B 58 6.079 -5.734 -0.431 1.00 0.00 H new ATOM 0 HG3 GLN B 58 5.161 -5.349 -1.874 1.00 0.00 H new ATOM 0 HE21 GLN B 58 6.313 -4.662 -3.554 1.00 0.00 H new ATOM 0 HE22 GLN B 58 7.847 -3.790 -3.458 1.00 0.00 H new ATOM 891 N VAL B 59 3.616 -3.044 2.426 1.00 0.00 N ATOM 892 CA VAL B 59 2.660 -2.215 3.149 1.00 0.00 C ATOM 893 C VAL B 59 3.327 -1.466 4.289 1.00 0.00 C ATOM 894 O VAL B 59 3.085 -0.278 4.480 1.00 0.00 O ATOM 895 CB VAL B 59 1.515 -3.045 3.757 1.00 0.00 C ATOM 896 CG1 VAL B 59 0.333 -2.167 4.094 1.00 0.00 C ATOM 897 CG2 VAL B 59 1.112 -4.201 2.872 1.00 0.00 C ATOM 0 H VAL B 59 3.449 -4.048 2.498 1.00 0.00 H new ATOM 0 HA VAL B 59 2.261 -1.518 2.412 1.00 0.00 H new ATOM 0 HB VAL B 59 1.889 -3.480 4.684 1.00 0.00 H new ATOM 0 HG11 VAL B 59 -0.463 -2.777 4.522 1.00 0.00 H new ATOM 0 HG12 VAL B 59 0.637 -1.409 4.815 1.00 0.00 H new ATOM 0 HG13 VAL B 59 -0.029 -1.681 3.188 1.00 0.00 H new ATOM 0 HG21 VAL B 59 0.301 -4.756 3.345 1.00 0.00 H new ATOM 0 HG22 VAL B 59 0.777 -3.821 1.907 1.00 0.00 H new ATOM 0 HG23 VAL B 59 1.966 -4.862 2.725 1.00 0.00 H new ATOM 907 N GLN B 60 4.138 -2.175 5.062 1.00 0.00 N ATOM 908 CA GLN B 60 4.810 -1.570 6.203 1.00 0.00 C ATOM 909 C GLN B 60 5.720 -0.424 5.780 1.00 0.00 C ATOM 910 O GLN B 60 5.732 0.616 6.431 1.00 0.00 O ATOM 911 CB GLN B 60 5.604 -2.603 7.006 1.00 0.00 C ATOM 912 CG GLN B 60 6.583 -3.416 6.184 1.00 0.00 C ATOM 913 CD GLN B 60 7.607 -4.131 7.042 1.00 0.00 C ATOM 914 OE1 GLN B 60 7.250 -4.948 7.892 1.00 0.00 O ATOM 915 NE2 GLN B 60 8.880 -3.830 6.834 1.00 0.00 N ATOM 0 H GLN B 60 4.346 -3.164 4.921 1.00 0.00 H new ATOM 0 HA GLN B 60 4.027 -1.166 6.845 1.00 0.00 H new ATOM 0 HB2 GLN B 60 6.151 -2.089 7.796 1.00 0.00 H new ATOM 0 HB3 GLN B 60 4.905 -3.283 7.493 1.00 0.00 H new ATOM 0 HG2 GLN B 60 6.035 -4.149 5.592 1.00 0.00 H new ATOM 0 HG3 GLN B 60 7.097 -2.759 5.482 1.00 0.00 H new ATOM 0 HE21 GLN B 60 9.132 -3.147 6.119 1.00 0.00 H new ATOM 0 HE22 GLN B 60 9.608 -4.281 7.388 1.00 0.00 H new ATOM 924 N HIS B 61 6.483 -0.591 4.699 1.00 0.00 N ATOM 925 CA HIS B 61 7.370 0.486 4.268 1.00 0.00 C ATOM 926 C HIS B 61 6.605 1.566 3.534 1.00 0.00 C ATOM 927 O HIS B 61 7.087 2.684 3.383 1.00 0.00 O ATOM 928 CB HIS B 61 8.539 -0.025 3.433 1.00 0.00 C ATOM 929 CG HIS B 61 8.295 -0.132 1.985 1.00 0.00 C ATOM 930 ND1 HIS B 61 7.435 -1.022 1.446 1.00 0.00 N ATOM 931 CD2 HIS B 61 8.818 0.576 0.955 1.00 0.00 C ATOM 932 CE1 HIS B 61 7.440 -0.849 0.135 1.00 0.00 C ATOM 933 NE2 HIS B 61 8.263 0.113 -0.228 1.00 0.00 N ATOM 0 H HIS B 61 6.506 -1.433 4.123 1.00 0.00 H new ATOM 0 HA HIS B 61 7.794 0.926 5.171 1.00 0.00 H new ATOM 0 HB2 HIS B 61 9.390 0.637 3.591 1.00 0.00 H new ATOM 0 HB3 HIS B 61 8.826 -1.008 3.807 1.00 0.00 H new ATOM 0 HD2 HIS B 61 9.546 1.369 1.041 1.00 0.00 H new ATOM 0 HE1 HIS B 61 6.842 -1.426 -0.554 1.00 0.00 H new ATOM 0 HE2 HIS B 61 8.451 0.445 -1.174 1.00 0.00 H new ATOM 941 N LEU B 62 5.403 1.248 3.096 1.00 0.00 N ATOM 942 CA LEU B 62 4.598 2.231 2.417 1.00 0.00 C ATOM 943 C LEU B 62 3.993 3.175 3.434 1.00 0.00 C ATOM 944 O LEU B 62 3.909 4.373 3.203 1.00 0.00 O ATOM 945 CB LEU B 62 3.539 1.567 1.558 1.00 0.00 C ATOM 946 CG LEU B 62 3.731 1.838 0.074 1.00 0.00 C ATOM 947 CD1 LEU B 62 5.095 1.406 -0.400 1.00 0.00 C ATOM 948 CD2 LEU B 62 2.638 1.193 -0.762 1.00 0.00 C ATOM 0 H LEU B 62 4.971 0.330 3.198 1.00 0.00 H new ATOM 0 HA LEU B 62 5.228 2.811 1.743 1.00 0.00 H new ATOM 0 HB2 LEU B 62 3.558 0.491 1.732 1.00 0.00 H new ATOM 0 HB3 LEU B 62 2.555 1.922 1.863 1.00 0.00 H new ATOM 0 HG LEU B 62 3.659 2.917 -0.061 1.00 0.00 H new ATOM 0 HD11 LEU B 62 5.193 1.616 -1.465 1.00 0.00 H new ATOM 0 HD12 LEU B 62 5.861 1.952 0.150 1.00 0.00 H new ATOM 0 HD13 LEU B 62 5.218 0.337 -0.228 1.00 0.00 H new ATOM 0 HD21 LEU B 62 2.811 1.410 -1.816 1.00 0.00 H new ATOM 0 HD22 LEU B 62 2.650 0.114 -0.607 1.00 0.00 H new ATOM 0 HD23 LEU B 62 1.668 1.592 -0.464 1.00 0.00 H new ATOM 960 N GLN B 63 3.630 2.634 4.592 1.00 0.00 N ATOM 961 CA GLN B 63 3.105 3.451 5.667 1.00 0.00 C ATOM 962 C GLN B 63 4.270 4.222 6.265 1.00 0.00 C ATOM 963 O GLN B 63 4.130 5.364 6.703 1.00 0.00 O ATOM 964 CB GLN B 63 2.425 2.598 6.740 1.00 0.00 C ATOM 965 CG GLN B 63 1.260 1.775 6.214 1.00 0.00 C ATOM 966 CD GLN B 63 0.497 1.065 7.314 1.00 0.00 C ATOM 967 OE1 GLN B 63 0.511 -0.259 7.284 1.00 0.00 O flip ATOM 968 NE2 GLN B 63 -0.096 1.705 8.183 1.00 0.00 N flip ATOM 0 H GLN B 63 3.691 1.638 4.805 1.00 0.00 H new ATOM 0 HA GLN B 63 2.347 4.131 5.277 1.00 0.00 H new ATOM 0 HB2 GLN B 63 3.163 1.928 7.181 1.00 0.00 H new ATOM 0 HB3 GLN B 63 2.068 3.249 7.538 1.00 0.00 H new ATOM 0 HG2 GLN B 63 0.578 2.427 5.668 1.00 0.00 H new ATOM 0 HG3 GLN B 63 1.634 1.038 5.503 1.00 0.00 H new ATOM 0 HE21 GLN B 63 -0.079 2.725 8.166 1.00 0.00 H new ATOM 0 HE22 GLN B 63 -0.604 1.215 8.920 1.00 0.00 H new ATOM 977 N ALA B 64 5.439 3.583 6.215 1.00 0.00 N ATOM 978 CA ALA B 64 6.676 4.180 6.679 1.00 0.00 C ATOM 979 C ALA B 64 6.901 5.473 5.929 1.00 0.00 C ATOM 980 O ALA B 64 7.052 6.539 6.523 1.00 0.00 O ATOM 981 CB ALA B 64 7.831 3.226 6.423 1.00 0.00 C ATOM 0 H ALA B 64 5.547 2.637 5.850 1.00 0.00 H new ATOM 0 HA ALA B 64 6.616 4.380 7.749 1.00 0.00 H new ATOM 0 HB1 ALA B 64 8.760 3.677 6.773 1.00 0.00 H new ATOM 0 HB2 ALA B 64 7.657 2.292 6.958 1.00 0.00 H new ATOM 0 HB3 ALA B 64 7.906 3.024 5.355 1.00 0.00 H new ATOM 987 N ALA B 65 6.881 5.355 4.603 1.00 0.00 N ATOM 988 CA ALA B 65 7.045 6.495 3.727 1.00 0.00 C ATOM 989 C ALA B 65 5.965 7.515 4.025 1.00 0.00 C ATOM 990 O ALA B 65 6.253 8.691 4.174 1.00 0.00 O ATOM 991 CB ALA B 65 6.984 6.069 2.269 1.00 0.00 C ATOM 0 H ALA B 65 6.751 4.469 4.115 1.00 0.00 H new ATOM 0 HA ALA B 65 8.024 6.941 3.904 1.00 0.00 H new ATOM 0 HB1 ALA B 65 7.110 6.942 1.629 1.00 0.00 H new ATOM 0 HB2 ALA B 65 7.780 5.353 2.066 1.00 0.00 H new ATOM 0 HB3 ALA B 65 6.018 5.606 2.065 1.00 0.00 H new ATOM 997 N PHE B 66 4.725 7.036 4.125 1.00 0.00 N ATOM 998 CA PHE B 66 3.565 7.879 4.422 1.00 0.00 C ATOM 999 C PHE B 66 3.806 8.815 5.592 1.00 0.00 C ATOM 1000 O PHE B 66 3.264 9.902 5.612 1.00 0.00 O ATOM 1001 CB PHE B 66 2.342 7.024 4.752 1.00 0.00 C ATOM 1002 CG PHE B 66 1.369 6.867 3.623 1.00 0.00 C ATOM 1003 CD1 PHE B 66 0.895 7.977 2.944 1.00 0.00 C ATOM 1004 CD2 PHE B 66 0.905 5.611 3.259 1.00 0.00 C ATOM 1005 CE1 PHE B 66 -0.018 7.837 1.916 1.00 0.00 C ATOM 1006 CE2 PHE B 66 -0.009 5.470 2.235 1.00 0.00 C ATOM 1007 CZ PHE B 66 -0.471 6.581 1.563 1.00 0.00 C ATOM 0 H PHE B 66 4.495 6.050 4.002 1.00 0.00 H new ATOM 0 HA PHE B 66 3.392 8.473 3.524 1.00 0.00 H new ATOM 0 HB2 PHE B 66 2.679 6.036 5.064 1.00 0.00 H new ATOM 0 HB3 PHE B 66 1.824 7.467 5.602 1.00 0.00 H new ATOM 0 HD1 PHE B 66 1.242 8.962 3.220 1.00 0.00 H new ATOM 0 HD2 PHE B 66 1.262 4.736 3.782 1.00 0.00 H new ATOM 0 HE1 PHE B 66 -0.377 8.709 1.389 1.00 0.00 H new ATOM 0 HE2 PHE B 66 -0.363 4.487 1.960 1.00 0.00 H new ATOM 0 HZ PHE B 66 -1.186 6.470 0.762 1.00 0.00 H new ATOM 1017 N SER B 67 4.594 8.391 6.576 1.00 0.00 N ATOM 1018 CA SER B 67 4.859 9.224 7.748 1.00 0.00 C ATOM 1019 C SER B 67 5.401 10.606 7.347 1.00 0.00 C ATOM 1020 O SER B 67 5.110 11.612 7.992 1.00 0.00 O ATOM 1021 CB SER B 67 5.837 8.504 8.679 1.00 0.00 C ATOM 1022 OG SER B 67 6.043 9.228 9.881 1.00 0.00 O ATOM 0 H SER B 67 5.058 7.483 6.587 1.00 0.00 H new ATOM 0 HA SER B 67 3.919 9.388 8.275 1.00 0.00 H new ATOM 0 HB2 SER B 67 5.453 7.511 8.913 1.00 0.00 H new ATOM 0 HB3 SER B 67 6.790 8.365 8.169 1.00 0.00 H new ATOM 0 HG SER B 67 6.671 8.740 10.453 1.00 0.00 H new ATOM 1028 N GLN B 68 6.173 10.646 6.267 1.00 0.00 N ATOM 1029 CA GLN B 68 6.745 11.892 5.764 1.00 0.00 C ATOM 1030 C GLN B 68 5.776 12.616 4.834 1.00 0.00 C ATOM 1031 O GLN B 68 5.977 13.779 4.495 1.00 0.00 O ATOM 1032 CB GLN B 68 8.059 11.626 5.012 1.00 0.00 C ATOM 1033 CG GLN B 68 9.203 11.107 5.871 1.00 0.00 C ATOM 1034 CD GLN B 68 9.020 9.672 6.321 1.00 0.00 C ATOM 1035 OE1 GLN B 68 8.946 8.760 5.499 1.00 0.00 O ATOM 1036 NE2 GLN B 68 8.941 9.462 7.627 1.00 0.00 N ATOM 0 H GLN B 68 6.419 9.823 5.718 1.00 0.00 H new ATOM 0 HA GLN B 68 6.942 12.525 6.629 1.00 0.00 H new ATOM 0 HB2 GLN B 68 7.865 10.904 4.218 1.00 0.00 H new ATOM 0 HB3 GLN B 68 8.377 12.551 4.531 1.00 0.00 H new ATOM 0 HG2 GLN B 68 10.134 11.187 5.309 1.00 0.00 H new ATOM 0 HG3 GLN B 68 9.305 11.744 6.749 1.00 0.00 H new ATOM 0 HE21 GLN B 68 9.007 10.247 8.275 1.00 0.00 H new ATOM 0 HE22 GLN B 68 8.814 8.515 7.985 1.00 0.00 H new ATOM 1045 N TYR B 69 4.723 11.941 4.425 1.00 0.00 N ATOM 1046 CA TYR B 69 3.740 12.552 3.549 1.00 0.00 C ATOM 1047 C TYR B 69 2.507 12.908 4.351 1.00 0.00 C ATOM 1048 O TYR B 69 1.679 13.701 3.930 1.00 0.00 O ATOM 1049 CB TYR B 69 3.389 11.621 2.393 1.00 0.00 C ATOM 1050 CG TYR B 69 4.600 11.172 1.604 1.00 0.00 C ATOM 1051 CD1 TYR B 69 5.314 10.062 2.005 1.00 0.00 C ATOM 1052 CD2 TYR B 69 5.047 11.858 0.480 1.00 0.00 C ATOM 1053 CE1 TYR B 69 6.428 9.634 1.322 1.00 0.00 C ATOM 1054 CE2 TYR B 69 6.160 11.433 -0.212 1.00 0.00 C ATOM 1055 CZ TYR B 69 6.848 10.320 0.211 1.00 0.00 C ATOM 1056 OH TYR B 69 7.961 9.903 -0.472 1.00 0.00 O ATOM 0 H TYR B 69 4.524 10.974 4.682 1.00 0.00 H new ATOM 0 HA TYR B 69 4.160 13.462 3.120 1.00 0.00 H new ATOM 0 HB2 TYR B 69 2.872 10.745 2.784 1.00 0.00 H new ATOM 0 HB3 TYR B 69 2.694 12.128 1.724 1.00 0.00 H new ATOM 0 HD1 TYR B 69 4.990 9.515 2.878 1.00 0.00 H new ATOM 0 HD2 TYR B 69 4.514 12.736 0.145 1.00 0.00 H new ATOM 0 HE1 TYR B 69 6.969 8.762 1.659 1.00 0.00 H new ATOM 0 HE2 TYR B 69 6.492 11.974 -1.086 1.00 0.00 H new ATOM 0 HH TYR B 69 8.765 10.248 -0.030 1.00 0.00 H new ATOM 1066 N LYS B 70 2.408 12.318 5.525 1.00 0.00 N ATOM 1067 CA LYS B 70 1.292 12.561 6.420 1.00 0.00 C ATOM 1068 C LYS B 70 1.243 14.017 6.865 1.00 0.00 C ATOM 1069 O LYS B 70 0.203 14.487 7.321 1.00 0.00 O ATOM 1070 CB LYS B 70 1.352 11.619 7.628 1.00 0.00 C ATOM 1071 CG LYS B 70 0.710 10.267 7.363 1.00 0.00 C ATOM 1072 CD LYS B 70 0.695 9.387 8.602 1.00 0.00 C ATOM 1073 CE LYS B 70 -0.047 8.083 8.335 1.00 0.00 C ATOM 1074 NZ LYS B 70 -0.085 7.196 9.529 1.00 0.00 N ATOM 0 H LYS B 70 3.097 11.658 5.886 1.00 0.00 H new ATOM 0 HA LYS B 70 0.373 12.355 5.871 1.00 0.00 H new ATOM 0 HB2 LYS B 70 2.393 11.470 7.914 1.00 0.00 H new ATOM 0 HB3 LYS B 70 0.854 12.091 8.475 1.00 0.00 H new ATOM 0 HG2 LYS B 70 -0.311 10.414 7.011 1.00 0.00 H new ATOM 0 HG3 LYS B 70 1.252 9.759 6.565 1.00 0.00 H new ATOM 0 HD2 LYS B 70 1.718 9.171 8.912 1.00 0.00 H new ATOM 0 HD3 LYS B 70 0.218 9.919 9.425 1.00 0.00 H new ATOM 0 HE2 LYS B 70 -1.066 8.306 8.019 1.00 0.00 H new ATOM 0 HE3 LYS B 70 0.434 7.557 7.510 1.00 0.00 H new ATOM 0 HZ1 LYS B 70 -0.600 6.323 9.297 1.00 0.00 H new ATOM 0 HZ2 LYS B 70 0.886 6.959 9.817 1.00 0.00 H new ATOM 0 HZ3 LYS B 70 -0.568 7.685 10.310 1.00 0.00 H new ATOM 1088 N LYS B 71 2.350 14.756 6.718 1.00 0.00 N ATOM 1089 CA LYS B 71 2.331 16.161 7.107 1.00 0.00 C ATOM 1090 C LYS B 71 2.198 17.084 5.886 1.00 0.00 C ATOM 1091 O LYS B 71 2.557 18.256 5.945 1.00 0.00 O ATOM 1092 CB LYS B 71 3.556 16.553 7.960 1.00 0.00 C ATOM 1093 CG LYS B 71 4.837 16.841 7.182 1.00 0.00 C ATOM 1094 CD LYS B 71 5.687 15.600 6.973 1.00 0.00 C ATOM 1095 CE LYS B 71 6.982 15.929 6.231 1.00 0.00 C ATOM 1096 NZ LYS B 71 7.780 16.977 6.922 1.00 0.00 N ATOM 0 H LYS B 71 3.237 14.416 6.346 1.00 0.00 H new ATOM 0 HA LYS B 71 1.447 16.295 7.731 1.00 0.00 H new ATOM 0 HB2 LYS B 71 3.301 17.437 8.545 1.00 0.00 H new ATOM 0 HB3 LYS B 71 3.755 15.749 8.668 1.00 0.00 H new ATOM 0 HG2 LYS B 71 4.580 17.268 6.213 1.00 0.00 H new ATOM 0 HG3 LYS B 71 5.421 17.591 7.716 1.00 0.00 H new ATOM 0 HD2 LYS B 71 5.923 15.152 7.938 1.00 0.00 H new ATOM 0 HD3 LYS B 71 5.120 14.860 6.408 1.00 0.00 H new ATOM 0 HE2 LYS B 71 7.582 15.024 6.134 1.00 0.00 H new ATOM 0 HE3 LYS B 71 6.744 16.264 5.221 1.00 0.00 H new ATOM 0 HZ1 LYS B 71 8.767 16.932 6.598 1.00 0.00 H new ATOM 0 HZ2 LYS B 71 7.386 17.914 6.703 1.00 0.00 H new ATOM 0 HZ3 LYS B 71 7.745 16.819 7.949 1.00 0.00 H new ATOM 1110 N VAL B 72 1.672 16.565 4.779 1.00 0.00 N ATOM 1111 CA VAL B 72 1.501 17.381 3.575 1.00 0.00 C ATOM 1112 C VAL B 72 0.032 17.491 3.160 1.00 0.00 C ATOM 1113 O VAL B 72 -0.325 18.312 2.326 1.00 0.00 O ATOM 1114 CB VAL B 72 2.313 16.831 2.383 1.00 0.00 C ATOM 1115 CG1 VAL B 72 3.744 16.517 2.794 1.00 0.00 C ATOM 1116 CG2 VAL B 72 1.666 15.592 1.792 1.00 0.00 C ATOM 0 H VAL B 72 1.360 15.598 4.688 1.00 0.00 H new ATOM 0 HA VAL B 72 1.874 18.371 3.835 1.00 0.00 H new ATOM 0 HB VAL B 72 2.327 17.610 1.620 1.00 0.00 H new ATOM 0 HG11 VAL B 72 4.293 16.131 1.935 1.00 0.00 H new ATOM 0 HG12 VAL B 72 4.227 17.425 3.155 1.00 0.00 H new ATOM 0 HG13 VAL B 72 3.739 15.769 3.587 1.00 0.00 H new ATOM 0 HG21 VAL B 72 2.265 15.233 0.955 1.00 0.00 H new ATOM 0 HG22 VAL B 72 1.604 14.815 2.554 1.00 0.00 H new ATOM 0 HG23 VAL B 72 0.663 15.837 1.442 1.00 0.00 H new ATOM 1126 N GLU B 73 -0.798 16.639 3.724 1.00 0.00 N ATOM 1127 CA GLU B 73 -2.230 16.604 3.406 1.00 0.00 C ATOM 1128 C GLU B 73 -3.011 17.754 4.048 1.00 0.00 C ATOM 1129 O GLU B 73 -4.079 18.143 3.570 1.00 0.00 O ATOM 1130 CB GLU B 73 -2.826 15.300 3.932 1.00 0.00 C ATOM 1131 CG GLU B 73 -2.809 15.222 5.458 1.00 0.00 C ATOM 1132 CD GLU B 73 -3.653 14.106 6.016 1.00 0.00 C ATOM 1133 OE1 GLU B 73 -4.858 14.062 5.698 1.00 0.00 O ATOM 1134 OE2 GLU B 73 -3.124 13.288 6.795 1.00 0.00 O ATOM 0 H GLU B 73 -0.510 15.948 4.416 1.00 0.00 H new ATOM 0 HA GLU B 73 -2.314 16.691 2.323 1.00 0.00 H new ATOM 0 HB2 GLU B 73 -3.853 15.205 3.578 1.00 0.00 H new ATOM 0 HB3 GLU B 73 -2.268 14.458 3.522 1.00 0.00 H new ATOM 0 HG2 GLU B 73 -1.781 15.091 5.795 1.00 0.00 H new ATOM 0 HG3 GLU B 73 -3.160 16.170 5.866 1.00 0.00 H new ATOM 1141 N LEU B 74 -2.506 18.214 5.179 1.00 0.00 N ATOM 1142 CA LEU B 74 -3.161 19.231 5.988 1.00 0.00 C ATOM 1143 C LEU B 74 -2.731 20.655 5.656 1.00 0.00 C ATOM 1144 O LEU B 74 -3.568 21.555 5.635 1.00 0.00 O ATOM 1145 CB LEU B 74 -2.869 18.897 7.443 1.00 0.00 C ATOM 1146 CG LEU B 74 -1.820 17.789 7.610 1.00 0.00 C ATOM 1147 CD1 LEU B 74 -0.434 18.372 7.766 1.00 0.00 C ATOM 1148 CD2 LEU B 74 -2.143 16.906 8.784 1.00 0.00 C ATOM 0 H LEU B 74 -1.620 17.890 5.567 1.00 0.00 H new ATOM 0 HA LEU B 74 -4.230 19.213 5.777 1.00 0.00 H new ATOM 0 HB2 LEU B 74 -2.523 19.796 7.953 1.00 0.00 H new ATOM 0 HB3 LEU B 74 -3.794 18.590 7.931 1.00 0.00 H new ATOM 0 HG LEU B 74 -1.842 17.181 6.705 1.00 0.00 H new ATOM 0 HD11 LEU B 74 0.289 17.565 7.883 1.00 0.00 H new ATOM 0 HD12 LEU B 74 -0.184 18.958 6.882 1.00 0.00 H new ATOM 0 HD13 LEU B 74 -0.406 19.014 8.647 1.00 0.00 H new ATOM 0 HD21 LEU B 74 -1.382 16.131 8.877 1.00 0.00 H new ATOM 0 HD22 LEU B 74 -2.164 17.505 9.695 1.00 0.00 H new ATOM 0 HD23 LEU B 74 -3.117 16.442 8.633 1.00 0.00 H new ATOM 1160 N PHE B 75 -1.434 20.852 5.433 1.00 0.00 N ATOM 1161 CA PHE B 75 -0.893 22.193 5.121 1.00 0.00 C ATOM 1162 C PHE B 75 -1.749 22.903 4.058 1.00 0.00 C ATOM 1163 O PHE B 75 -2.349 23.944 4.338 1.00 0.00 O ATOM 1164 CB PHE B 75 0.577 22.125 4.666 1.00 0.00 C ATOM 1165 CG PHE B 75 1.540 21.691 5.730 1.00 0.00 C ATOM 1166 CD1 PHE B 75 1.088 21.119 6.901 1.00 0.00 C ATOM 1167 CD2 PHE B 75 2.901 21.857 5.554 1.00 0.00 C ATOM 1168 CE1 PHE B 75 1.972 20.720 7.882 1.00 0.00 C ATOM 1169 CE2 PHE B 75 3.795 21.463 6.530 1.00 0.00 C ATOM 1170 CZ PHE B 75 3.326 20.894 7.696 1.00 0.00 C ATOM 0 H PHE B 75 -0.733 20.111 5.460 1.00 0.00 H new ATOM 0 HA PHE B 75 -0.931 22.774 6.042 1.00 0.00 H new ATOM 0 HB2 PHE B 75 0.652 21.437 3.824 1.00 0.00 H new ATOM 0 HB3 PHE B 75 0.877 23.108 4.302 1.00 0.00 H new ATOM 0 HD1 PHE B 75 0.027 20.982 7.052 1.00 0.00 H new ATOM 0 HD2 PHE B 75 3.270 22.301 4.641 1.00 0.00 H new ATOM 0 HE1 PHE B 75 1.604 20.272 8.793 1.00 0.00 H new ATOM 0 HE2 PHE B 75 4.856 21.600 6.381 1.00 0.00 H new ATOM 0 HZ PHE B 75 4.020 20.585 8.463 1.00 0.00 H new ATOM 1180 N PRO B 76 -1.840 22.352 2.830 1.00 0.00 N ATOM 1181 CA PRO B 76 -2.652 22.939 1.765 1.00 0.00 C ATOM 1182 C PRO B 76 -4.125 22.562 1.908 1.00 0.00 C ATOM 1183 O PRO B 76 -4.480 21.728 2.740 1.00 0.00 O ATOM 1184 CB PRO B 76 -2.069 22.306 0.508 1.00 0.00 C ATOM 1185 CG PRO B 76 -1.630 20.953 0.955 1.00 0.00 C ATOM 1186 CD PRO B 76 -1.182 21.111 2.385 1.00 0.00 C ATOM 0 HA PRO B 76 -2.625 24.029 1.768 1.00 0.00 H new ATOM 0 HB2 PRO B 76 -2.811 22.242 -0.288 1.00 0.00 H new ATOM 0 HB3 PRO B 76 -1.234 22.888 0.119 1.00 0.00 H new ATOM 0 HG2 PRO B 76 -2.446 20.234 0.879 1.00 0.00 H new ATOM 0 HG3 PRO B 76 -0.818 20.581 0.331 1.00 0.00 H new ATOM 0 HD2 PRO B 76 -1.484 20.259 2.994 1.00 0.00 H new ATOM 0 HD3 PRO B 76 -0.097 21.186 2.457 1.00 0.00 H new ATOM 1194 N ASN B 77 -4.979 23.158 1.093 1.00 0.00 N ATOM 1195 CA ASN B 77 -6.401 22.848 1.154 1.00 0.00 C ATOM 1196 C ASN B 77 -6.882 22.261 -0.170 1.00 0.00 C ATOM 1197 O ASN B 77 -6.857 21.044 -0.362 1.00 0.00 O ATOM 1198 CB ASN B 77 -7.218 24.093 1.517 1.00 0.00 C ATOM 1199 CG ASN B 77 -8.670 23.765 1.801 1.00 0.00 C ATOM 1200 OD1 ASN B 77 -8.972 22.966 2.686 1.00 0.00 O ATOM 1201 ND2 ASN B 77 -9.577 24.382 1.060 1.00 0.00 N ATOM 0 H ASN B 77 -4.720 23.850 0.390 1.00 0.00 H new ATOM 0 HA ASN B 77 -6.550 22.103 1.936 1.00 0.00 H new ATOM 0 HB2 ASN B 77 -6.778 24.571 2.392 1.00 0.00 H new ATOM 0 HB3 ASN B 77 -7.163 24.812 0.700 1.00 0.00 H new ATOM 0 HD21 ASN B 77 -10.569 24.202 1.213 1.00 0.00 H new ATOM 0 HD22 ASN B 77 -9.284 25.038 0.336 1.00 0.00 H new ATOM 1208 N GLY B 78 -7.314 23.128 -1.080 1.00 0.00 N ATOM 1209 CA GLY B 78 -7.795 22.677 -2.374 1.00 0.00 C ATOM 1210 C GLY B 78 -9.101 21.926 -2.262 1.00 0.00 C ATOM 1211 O GLY B 78 -9.181 20.749 -2.615 1.00 0.00 O ATOM 0 H GLY B 78 -7.340 24.139 -0.944 1.00 0.00 H new ATOM 0 HA2 GLY B 78 -7.926 23.536 -3.032 1.00 0.00 H new ATOM 0 HA3 GLY B 78 -7.045 22.034 -2.835 1.00 0.00 H new ATOM 1215 N GLY B 79 -10.115 22.600 -1.749 1.00 0.00 N ATOM 1216 CA GLY B 79 -11.405 21.974 -1.574 1.00 0.00 C ATOM 1217 C GLY B 79 -11.511 21.313 -0.222 1.00 0.00 C ATOM 1218 O GLY B 79 -11.764 21.977 0.783 1.00 0.00 O ATOM 0 H GLY B 79 -10.067 23.574 -1.449 1.00 0.00 H new ATOM 0 HA2 GLY B 79 -12.192 22.721 -1.679 1.00 0.00 H new ATOM 0 HA3 GLY B 79 -11.562 21.233 -2.358 1.00 0.00 H new ATOM 1222 N ILE B 80 -11.297 20.006 -0.190 1.00 0.00 N ATOM 1223 CA ILE B 80 -11.351 19.259 1.054 1.00 0.00 C ATOM 1224 C ILE B 80 -10.043 18.511 1.296 1.00 0.00 C ATOM 1225 O ILE B 80 -9.453 18.011 0.318 1.00 0.00 O ATOM 1226 CB ILE B 80 -12.531 18.265 1.081 1.00 0.00 C ATOM 1227 CG1 ILE B 80 -12.444 17.268 -0.079 1.00 0.00 C ATOM 1228 CG2 ILE B 80 -13.856 19.017 1.039 1.00 0.00 C ATOM 1229 CD1 ILE B 80 -13.543 16.230 -0.056 1.00 0.00 C ATOM 1230 OXT ILE B 80 -9.602 18.447 2.460 1.00 0.00 O ATOM 0 H ILE B 80 -11.084 19.442 -1.013 1.00 0.00 H new ATOM 0 HA ILE B 80 -11.503 19.986 1.852 1.00 0.00 H new ATOM 0 HB ILE B 80 -12.475 17.700 2.012 1.00 0.00 H new ATOM 0 HG12 ILE B 80 -12.488 17.813 -1.022 1.00 0.00 H new ATOM 0 HG13 ILE B 80 -11.477 16.765 -0.046 1.00 0.00 H new ATOM 0 HG21 ILE B 80 -14.680 18.304 1.059 1.00 0.00 H new ATOM 0 HG22 ILE B 80 -13.927 19.677 1.903 1.00 0.00 H new ATOM 0 HG23 ILE B 80 -13.910 19.609 0.125 1.00 0.00 H new ATOM 0 HD11 ILE B 80 -13.424 15.555 -0.904 1.00 0.00 H new ATOM 0 HD12 ILE B 80 -13.486 15.661 0.872 1.00 0.00 H new ATOM 0 HD13 ILE B 80 -14.512 16.725 -0.120 1.00 0.00 H new TER 1242 ILE B 80 ATOM 1243 N GLY C 81 -9.208 -27.055 -1.081 1.00 0.00 N ATOM 1244 CA GLY C 81 -8.036 -27.928 -1.335 1.00 0.00 C ATOM 1245 C GLY C 81 -6.966 -27.222 -2.144 1.00 0.00 C ATOM 1246 O GLY C 81 -6.867 -25.997 -2.098 1.00 0.00 O ATOM 0 HA2 GLY C 81 -7.615 -28.255 -0.384 1.00 0.00 H new ATOM 0 HA3 GLY C 81 -8.359 -28.824 -1.865 1.00 0.00 H new ATOM 1252 N LEU C 82 -6.165 -27.994 -2.881 1.00 0.00 N ATOM 1253 CA LEU C 82 -5.085 -27.440 -3.710 1.00 0.00 C ATOM 1254 C LEU C 82 -5.613 -26.407 -4.714 1.00 0.00 C ATOM 1255 O LEU C 82 -5.102 -25.292 -4.754 1.00 0.00 O ATOM 1256 CB LEU C 82 -4.313 -28.551 -4.436 1.00 0.00 C ATOM 1257 CG LEU C 82 -3.715 -29.643 -3.543 1.00 0.00 C ATOM 1258 CD1 LEU C 82 -2.646 -30.431 -4.282 1.00 0.00 C ATOM 1259 CD2 LEU C 82 -3.208 -29.098 -2.220 1.00 0.00 C ATOM 0 H LEU C 82 -6.242 -29.010 -2.923 1.00 0.00 H new ATOM 0 HA LEU C 82 -4.396 -26.929 -3.037 1.00 0.00 H new ATOM 0 HB2 LEU C 82 -4.983 -29.023 -5.155 1.00 0.00 H new ATOM 0 HB3 LEU C 82 -3.505 -28.093 -5.007 1.00 0.00 H new ATOM 0 HG LEU C 82 -4.522 -30.333 -3.297 1.00 0.00 H new ATOM 0 HD11 LEU C 82 -2.240 -31.199 -3.624 1.00 0.00 H new ATOM 0 HD12 LEU C 82 -3.084 -30.902 -5.162 1.00 0.00 H new ATOM 0 HD13 LEU C 82 -1.846 -29.758 -4.591 1.00 0.00 H new ATOM 0 HD21 LEU C 82 -2.795 -29.913 -1.625 1.00 0.00 H new ATOM 0 HD22 LEU C 82 -2.433 -28.355 -2.406 1.00 0.00 H new ATOM 0 HD23 LEU C 82 -4.032 -28.635 -1.677 1.00 0.00 H new ATOM 1271 N PRO C 83 -6.613 -26.766 -5.564 1.00 0.00 N ATOM 1272 CA PRO C 83 -7.177 -25.859 -6.563 1.00 0.00 C ATOM 1273 C PRO C 83 -7.418 -24.451 -6.012 1.00 0.00 C ATOM 1274 O PRO C 83 -7.126 -23.452 -6.669 1.00 0.00 O ATOM 1275 CB PRO C 83 -8.516 -26.500 -6.915 1.00 0.00 C ATOM 1276 CG PRO C 83 -8.353 -27.951 -6.636 1.00 0.00 C ATOM 1277 CD PRO C 83 -7.221 -28.098 -5.653 1.00 0.00 C ATOM 0 HA PRO C 83 -6.501 -25.733 -7.409 1.00 0.00 H new ATOM 0 HB2 PRO C 83 -9.323 -26.075 -6.318 1.00 0.00 H new ATOM 0 HB3 PRO C 83 -8.769 -26.328 -7.961 1.00 0.00 H new ATOM 0 HG2 PRO C 83 -9.273 -28.369 -6.227 1.00 0.00 H new ATOM 0 HG3 PRO C 83 -8.136 -28.496 -7.555 1.00 0.00 H new ATOM 0 HD2 PRO C 83 -7.585 -28.431 -4.681 1.00 0.00 H new ATOM 0 HD3 PRO C 83 -6.498 -28.839 -5.993 1.00 0.00 H new ATOM 1285 N ASP C 84 -7.954 -24.395 -4.790 1.00 0.00 N ATOM 1286 CA ASP C 84 -8.248 -23.132 -4.113 1.00 0.00 C ATOM 1287 C ASP C 84 -6.973 -22.358 -3.821 1.00 0.00 C ATOM 1288 O ASP C 84 -6.951 -21.135 -3.898 1.00 0.00 O ATOM 1289 CB ASP C 84 -8.987 -23.384 -2.798 1.00 0.00 C ATOM 1290 CG ASP C 84 -10.365 -23.966 -2.992 1.00 0.00 C ATOM 1291 OD1 ASP C 84 -10.831 -24.031 -4.144 1.00 0.00 O ATOM 1292 OD2 ASP C 84 -10.992 -24.340 -1.983 1.00 0.00 O ATOM 0 H ASP C 84 -8.195 -25.222 -4.244 1.00 0.00 H new ATOM 0 HA ASP C 84 -8.878 -22.544 -4.780 1.00 0.00 H new ATOM 0 HB2 ASP C 84 -8.397 -24.062 -2.181 1.00 0.00 H new ATOM 0 HB3 ASP C 84 -9.070 -22.445 -2.250 1.00 0.00 H new ATOM 1297 N VAL C 85 -5.914 -23.082 -3.481 1.00 0.00 N ATOM 1298 CA VAL C 85 -4.628 -22.471 -3.182 1.00 0.00 C ATOM 1299 C VAL C 85 -4.046 -21.840 -4.442 1.00 0.00 C ATOM 1300 O VAL C 85 -3.509 -20.737 -4.407 1.00 0.00 O ATOM 1301 CB VAL C 85 -3.632 -23.514 -2.631 1.00 0.00 C ATOM 1302 CG1 VAL C 85 -2.313 -22.869 -2.245 1.00 0.00 C ATOM 1303 CG2 VAL C 85 -4.229 -24.245 -1.443 1.00 0.00 C ATOM 0 H VAL C 85 -5.923 -24.099 -3.406 1.00 0.00 H new ATOM 0 HA VAL C 85 -4.789 -21.705 -2.423 1.00 0.00 H new ATOM 0 HB VAL C 85 -3.434 -24.235 -3.424 1.00 0.00 H new ATOM 0 HG11 VAL C 85 -1.634 -23.630 -1.861 1.00 0.00 H new ATOM 0 HG12 VAL C 85 -1.869 -22.396 -3.121 1.00 0.00 H new ATOM 0 HG13 VAL C 85 -2.487 -22.117 -1.476 1.00 0.00 H new ATOM 0 HG21 VAL C 85 -3.513 -24.976 -1.068 1.00 0.00 H new ATOM 0 HG22 VAL C 85 -4.463 -23.529 -0.655 1.00 0.00 H new ATOM 0 HG23 VAL C 85 -5.141 -24.756 -1.751 1.00 0.00 H new ATOM 1313 N ALA C 86 -4.175 -22.537 -5.565 1.00 0.00 N ATOM 1314 CA ALA C 86 -3.676 -22.013 -6.831 1.00 0.00 C ATOM 1315 C ALA C 86 -4.517 -20.823 -7.259 1.00 0.00 C ATOM 1316 O ALA C 86 -4.009 -19.837 -7.784 1.00 0.00 O ATOM 1317 CB ALA C 86 -3.665 -23.088 -7.900 1.00 0.00 C ATOM 0 H ALA C 86 -4.615 -23.455 -5.626 1.00 0.00 H new ATOM 0 HA ALA C 86 -2.646 -21.683 -6.693 1.00 0.00 H new ATOM 0 HB1 ALA C 86 -3.288 -22.669 -8.833 1.00 0.00 H new ATOM 0 HB2 ALA C 86 -3.021 -23.908 -7.584 1.00 0.00 H new ATOM 0 HB3 ALA C 86 -4.678 -23.460 -8.052 1.00 0.00 H new ATOM 1323 N SER C 87 -5.807 -20.894 -6.978 1.00 0.00 N ATOM 1324 CA SER C 87 -6.712 -19.799 -7.280 1.00 0.00 C ATOM 1325 C SER C 87 -6.423 -18.642 -6.332 1.00 0.00 C ATOM 1326 O SER C 87 -6.758 -17.488 -6.590 1.00 0.00 O ATOM 1327 CB SER C 87 -8.158 -20.259 -7.120 1.00 0.00 C ATOM 1328 OG SER C 87 -8.440 -21.375 -7.953 1.00 0.00 O ATOM 0 H SER C 87 -6.252 -21.701 -6.540 1.00 0.00 H new ATOM 0 HA SER C 87 -6.564 -19.473 -8.310 1.00 0.00 H new ATOM 0 HB2 SER C 87 -8.345 -20.523 -6.079 1.00 0.00 H new ATOM 0 HB3 SER C 87 -8.832 -19.439 -7.367 1.00 0.00 H new ATOM 0 HG SER C 87 -8.013 -22.176 -7.583 1.00 0.00 H new ATOM 1334 N LEU C 88 -5.774 -18.968 -5.233 1.00 0.00 N ATOM 1335 CA LEU C 88 -5.413 -17.983 -4.240 1.00 0.00 C ATOM 1336 C LEU C 88 -4.292 -17.095 -4.753 1.00 0.00 C ATOM 1337 O LEU C 88 -4.193 -15.934 -4.370 1.00 0.00 O ATOM 1338 CB LEU C 88 -4.994 -18.685 -2.951 1.00 0.00 C ATOM 1339 CG LEU C 88 -4.733 -17.766 -1.774 1.00 0.00 C ATOM 1340 CD1 LEU C 88 -6.032 -17.123 -1.332 1.00 0.00 C ATOM 1341 CD2 LEU C 88 -4.116 -18.536 -0.620 1.00 0.00 C ATOM 0 H LEU C 88 -5.484 -19.919 -5.006 1.00 0.00 H new ATOM 0 HA LEU C 88 -6.277 -17.351 -4.035 1.00 0.00 H new ATOM 0 HB2 LEU C 88 -5.773 -19.395 -2.672 1.00 0.00 H new ATOM 0 HB3 LEU C 88 -4.091 -19.264 -3.148 1.00 0.00 H new ATOM 0 HG LEU C 88 -4.032 -16.991 -2.084 1.00 0.00 H new ATOM 0 HD11 LEU C 88 -5.842 -16.463 -0.486 1.00 0.00 H new ATOM 0 HD12 LEU C 88 -6.451 -16.545 -2.156 1.00 0.00 H new ATOM 0 HD13 LEU C 88 -6.739 -17.898 -1.036 1.00 0.00 H new ATOM 0 HD21 LEU C 88 -3.936 -17.858 0.215 1.00 0.00 H new ATOM 0 HD22 LEU C 88 -4.797 -19.327 -0.305 1.00 0.00 H new ATOM 0 HD23 LEU C 88 -3.171 -18.976 -0.940 1.00 0.00 H new ATOM 1353 N ARG C 89 -3.464 -17.647 -5.636 1.00 0.00 N ATOM 1354 CA ARG C 89 -2.352 -16.897 -6.225 1.00 0.00 C ATOM 1355 C ARG C 89 -2.886 -15.727 -7.042 1.00 0.00 C ATOM 1356 O ARG C 89 -2.179 -14.748 -7.276 1.00 0.00 O ATOM 1357 CB ARG C 89 -1.512 -17.783 -7.156 1.00 0.00 C ATOM 1358 CG ARG C 89 -1.355 -19.228 -6.708 1.00 0.00 C ATOM 1359 CD ARG C 89 -0.533 -19.352 -5.443 1.00 0.00 C ATOM 1360 NE ARG C 89 0.824 -18.827 -5.619 1.00 0.00 N ATOM 1361 CZ ARG C 89 1.792 -19.461 -6.285 1.00 0.00 C ATOM 1362 NH1 ARG C 89 1.585 -20.686 -6.756 1.00 0.00 N ATOM 1363 NH2 ARG C 89 2.970 -18.879 -6.457 1.00 0.00 N ATOM 0 H ARG C 89 -3.540 -18.611 -5.961 1.00 0.00 H new ATOM 0 HA ARG C 89 -1.729 -16.541 -5.405 1.00 0.00 H new ATOM 0 HB2 ARG C 89 -1.966 -17.774 -8.147 1.00 0.00 H new ATOM 0 HB3 ARG C 89 -0.521 -17.341 -7.255 1.00 0.00 H new ATOM 0 HG2 ARG C 89 -2.340 -19.664 -6.542 1.00 0.00 H new ATOM 0 HG3 ARG C 89 -0.882 -19.803 -7.504 1.00 0.00 H new ATOM 0 HD2 ARG C 89 -1.028 -18.814 -4.634 1.00 0.00 H new ATOM 0 HD3 ARG C 89 -0.481 -20.399 -5.145 1.00 0.00 H new ATOM 0 HE ARG C 89 1.043 -17.920 -5.207 1.00 0.00 H new ATOM 0 HH11 ARG C 89 0.685 -21.144 -6.609 1.00 0.00 H new ATOM 0 HH12 ARG C 89 2.326 -21.169 -7.265 1.00 0.00 H new ATOM 0 HH21 ARG C 89 3.138 -17.946 -6.080 1.00 0.00 H new ATOM 0 HH22 ARG C 89 3.709 -19.364 -6.966 1.00 0.00 H new ATOM 1377 N GLN C 90 -4.138 -15.837 -7.477 1.00 0.00 N ATOM 1378 CA GLN C 90 -4.762 -14.789 -8.269 1.00 0.00 C ATOM 1379 C GLN C 90 -5.092 -13.613 -7.368 1.00 0.00 C ATOM 1380 O GLN C 90 -4.968 -12.449 -7.760 1.00 0.00 O ATOM 1381 CB GLN C 90 -6.016 -15.337 -8.948 1.00 0.00 C ATOM 1382 CG GLN C 90 -5.924 -16.828 -9.226 1.00 0.00 C ATOM 1383 CD GLN C 90 -7.023 -17.338 -10.138 1.00 0.00 C ATOM 1384 OE1 GLN C 90 -7.923 -16.452 -10.534 1.00 0.00 O flip ATOM 1385 NE2 GLN C 90 -7.065 -18.522 -10.471 1.00 0.00 N flip ATOM 0 H GLN C 90 -4.737 -16.642 -7.293 1.00 0.00 H new ATOM 0 HA GLN C 90 -4.079 -14.448 -9.047 1.00 0.00 H new ATOM 0 HB2 GLN C 90 -6.882 -15.142 -8.316 1.00 0.00 H new ATOM 0 HB3 GLN C 90 -6.179 -14.805 -9.886 1.00 0.00 H new ATOM 0 HG2 GLN C 90 -4.956 -17.047 -9.677 1.00 0.00 H new ATOM 0 HG3 GLN C 90 -5.965 -17.370 -8.281 1.00 0.00 H new ATOM 0 HE21 GLN C 90 -6.349 -19.170 -10.142 1.00 0.00 H new ATOM 0 HE22 GLN C 90 -7.815 -18.855 -11.076 1.00 0.00 H new ATOM 1394 N GLN C 91 -5.467 -13.929 -6.136 1.00 0.00 N ATOM 1395 CA GLN C 91 -5.773 -12.916 -5.144 1.00 0.00 C ATOM 1396 C GLN C 91 -4.497 -12.216 -4.706 1.00 0.00 C ATOM 1397 O GLN C 91 -4.526 -11.045 -4.330 1.00 0.00 O ATOM 1398 CB GLN C 91 -6.472 -13.534 -3.933 1.00 0.00 C ATOM 1399 CG GLN C 91 -7.826 -14.148 -4.258 1.00 0.00 C ATOM 1400 CD GLN C 91 -8.797 -13.143 -4.844 1.00 0.00 C ATOM 1401 OE1 GLN C 91 -9.081 -12.111 -4.232 1.00 0.00 O ATOM 1402 NE2 GLN C 91 -9.309 -13.432 -6.032 1.00 0.00 N ATOM 0 H GLN C 91 -5.566 -14.887 -5.801 1.00 0.00 H new ATOM 0 HA GLN C 91 -6.447 -12.187 -5.594 1.00 0.00 H new ATOM 0 HB2 GLN C 91 -5.828 -14.302 -3.505 1.00 0.00 H new ATOM 0 HB3 GLN C 91 -6.604 -12.767 -3.170 1.00 0.00 H new ATOM 0 HG2 GLN C 91 -7.689 -14.968 -4.963 1.00 0.00 H new ATOM 0 HG3 GLN C 91 -8.254 -14.575 -3.351 1.00 0.00 H new ATOM 0 HE21 GLN C 91 -9.047 -14.298 -6.504 1.00 0.00 H new ATOM 0 HE22 GLN C 91 -9.965 -12.789 -6.475 1.00 0.00 H new ATOM 1411 N VAL C 92 -3.370 -12.925 -4.767 1.00 0.00 N ATOM 1412 CA VAL C 92 -2.109 -12.317 -4.384 1.00 0.00 C ATOM 1413 C VAL C 92 -1.581 -11.438 -5.510 1.00 0.00 C ATOM 1414 O VAL C 92 -0.980 -10.394 -5.260 1.00 0.00 O ATOM 1415 CB VAL C 92 -1.054 -13.330 -3.860 1.00 0.00 C ATOM 1416 CG1 VAL C 92 -1.499 -14.768 -3.936 1.00 0.00 C ATOM 1417 CG2 VAL C 92 0.336 -13.124 -4.431 1.00 0.00 C ATOM 0 H VAL C 92 -3.309 -13.897 -5.071 1.00 0.00 H new ATOM 0 HA VAL C 92 -2.312 -11.679 -3.524 1.00 0.00 H new ATOM 0 HB VAL C 92 -0.974 -13.099 -2.798 1.00 0.00 H new ATOM 0 HG11 VAL C 92 -0.709 -15.414 -3.553 1.00 0.00 H new ATOM 0 HG12 VAL C 92 -2.400 -14.902 -3.338 1.00 0.00 H new ATOM 0 HG13 VAL C 92 -1.710 -15.029 -4.973 1.00 0.00 H new ATOM 0 HG21 VAL C 92 1.014 -13.870 -4.016 1.00 0.00 H new ATOM 0 HG22 VAL C 92 0.303 -13.227 -5.516 1.00 0.00 H new ATOM 0 HG23 VAL C 92 0.692 -12.127 -4.172 1.00 0.00 H new ATOM 1427 N GLU C 93 -1.883 -11.825 -6.744 1.00 0.00 N ATOM 1428 CA GLU C 93 -1.514 -11.024 -7.918 1.00 0.00 C ATOM 1429 C GLU C 93 -2.256 -9.695 -7.815 1.00 0.00 C ATOM 1430 O GLU C 93 -1.746 -8.635 -8.178 1.00 0.00 O ATOM 1431 CB GLU C 93 -1.899 -11.748 -9.218 1.00 0.00 C ATOM 1432 CG GLU C 93 -1.454 -11.030 -10.483 1.00 0.00 C ATOM 1433 CD GLU C 93 0.033 -11.112 -10.734 1.00 0.00 C ATOM 1434 OE1 GLU C 93 0.715 -11.878 -10.028 1.00 0.00 O ATOM 1435 OE2 GLU C 93 0.516 -10.422 -11.655 1.00 0.00 O ATOM 0 H GLU C 93 -2.382 -12.687 -6.963 1.00 0.00 H new ATOM 0 HA GLU C 93 -0.436 -10.865 -7.941 1.00 0.00 H new ATOM 0 HB2 GLU C 93 -1.463 -12.747 -9.208 1.00 0.00 H new ATOM 0 HB3 GLU C 93 -2.982 -11.872 -9.245 1.00 0.00 H new ATOM 0 HG2 GLU C 93 -1.982 -11.455 -11.337 1.00 0.00 H new ATOM 0 HG3 GLU C 93 -1.746 -9.982 -10.417 1.00 0.00 H new ATOM 1442 N ALA C 94 -3.464 -9.786 -7.274 1.00 0.00 N ATOM 1443 CA ALA C 94 -4.323 -8.632 -7.051 1.00 0.00 C ATOM 1444 C ALA C 94 -3.735 -7.702 -6.004 1.00 0.00 C ATOM 1445 O ALA C 94 -3.602 -6.500 -6.221 1.00 0.00 O ATOM 1446 CB ALA C 94 -5.663 -9.112 -6.562 1.00 0.00 C ATOM 0 H ALA C 94 -3.878 -10.669 -6.976 1.00 0.00 H new ATOM 0 HA ALA C 94 -4.418 -8.087 -7.990 1.00 0.00 H new ATOM 0 HB1 ALA C 94 -6.316 -8.256 -6.391 1.00 0.00 H new ATOM 0 HB2 ALA C 94 -6.110 -9.766 -7.310 1.00 0.00 H new ATOM 0 HB3 ALA C 94 -5.534 -9.662 -5.630 1.00 0.00 H new ATOM 1452 N LEU C 95 -3.407 -8.290 -4.857 1.00 0.00 N ATOM 1453 CA LEU C 95 -2.844 -7.554 -3.731 1.00 0.00 C ATOM 1454 C LEU C 95 -1.577 -6.819 -4.126 1.00 0.00 C ATOM 1455 O LEU C 95 -1.371 -5.663 -3.750 1.00 0.00 O ATOM 1456 CB LEU C 95 -2.533 -8.520 -2.585 1.00 0.00 C ATOM 1457 CG LEU C 95 -3.751 -9.122 -1.881 1.00 0.00 C ATOM 1458 CD1 LEU C 95 -3.313 -10.135 -0.838 1.00 0.00 C ATOM 1459 CD2 LEU C 95 -4.593 -8.034 -1.236 1.00 0.00 C ATOM 0 H LEU C 95 -3.524 -9.288 -4.683 1.00 0.00 H new ATOM 0 HA LEU C 95 -3.581 -6.818 -3.410 1.00 0.00 H new ATOM 0 HB2 LEU C 95 -1.922 -9.334 -2.975 1.00 0.00 H new ATOM 0 HB3 LEU C 95 -1.930 -7.995 -1.844 1.00 0.00 H new ATOM 0 HG LEU C 95 -4.360 -9.630 -2.629 1.00 0.00 H new ATOM 0 HD11 LEU C 95 -4.191 -10.554 -0.346 1.00 0.00 H new ATOM 0 HD12 LEU C 95 -2.751 -10.935 -1.321 1.00 0.00 H new ATOM 0 HD13 LEU C 95 -2.682 -9.645 -0.097 1.00 0.00 H new ATOM 0 HD21 LEU C 95 -5.453 -8.485 -0.741 1.00 0.00 H new ATOM 0 HD22 LEU C 95 -3.993 -7.497 -0.502 1.00 0.00 H new ATOM 0 HD23 LEU C 95 -4.938 -7.339 -2.002 1.00 0.00 H new ATOM 1471 N GLN C 96 -0.726 -7.488 -4.883 1.00 0.00 N ATOM 1472 CA GLN C 96 0.528 -6.880 -5.310 1.00 0.00 C ATOM 1473 C GLN C 96 0.290 -5.860 -6.405 1.00 0.00 C ATOM 1474 O GLN C 96 1.059 -4.920 -6.550 1.00 0.00 O ATOM 1475 CB GLN C 96 1.557 -7.927 -5.747 1.00 0.00 C ATOM 1476 CG GLN C 96 1.149 -8.772 -6.941 1.00 0.00 C ATOM 1477 CD GLN C 96 2.193 -9.815 -7.288 1.00 0.00 C ATOM 1478 OE1 GLN C 96 1.821 -11.083 -7.208 1.00 0.00 O flip ATOM 1479 NE2 GLN C 96 3.336 -9.481 -7.604 1.00 0.00 N flip ATOM 0 H GLN C 96 -0.874 -8.442 -5.213 1.00 0.00 H new ATOM 0 HA GLN C 96 0.946 -6.363 -4.446 1.00 0.00 H new ATOM 0 HB2 GLN C 96 2.492 -7.419 -5.984 1.00 0.00 H new ATOM 0 HB3 GLN C 96 1.759 -8.589 -4.905 1.00 0.00 H new ATOM 0 HG2 GLN C 96 0.201 -9.266 -6.727 1.00 0.00 H new ATOM 0 HG3 GLN C 96 0.984 -8.125 -7.802 1.00 0.00 H new ATOM 0 HE21 GLN C 96 3.583 -8.493 -7.654 1.00 0.00 H new ATOM 0 HE22 GLN C 96 4.035 -10.193 -7.815 1.00 0.00 H new ATOM 1488 N GLY C 97 -0.800 -6.022 -7.142 1.00 0.00 N ATOM 1489 CA GLY C 97 -1.138 -5.063 -8.176 1.00 0.00 C ATOM 1490 C GLY C 97 -1.524 -3.742 -7.540 1.00 0.00 C ATOM 1491 O GLY C 97 -1.291 -2.659 -8.090 1.00 0.00 O ATOM 0 H GLY C 97 -1.455 -6.798 -7.043 1.00 0.00 H new ATOM 0 HA2 GLY C 97 -0.290 -4.921 -8.846 1.00 0.00 H new ATOM 0 HA3 GLY C 97 -1.962 -5.441 -8.781 1.00 0.00 H new ATOM 1495 N GLN C 98 -2.088 -3.841 -6.345 1.00 0.00 N ATOM 1496 CA GLN C 98 -2.490 -2.673 -5.588 1.00 0.00 C ATOM 1497 C GLN C 98 -1.271 -1.957 -5.026 1.00 0.00 C ATOM 1498 O GLN C 98 -1.191 -0.738 -5.062 1.00 0.00 O ATOM 1499 CB GLN C 98 -3.423 -3.074 -4.444 1.00 0.00 C ATOM 1500 CG GLN C 98 -4.713 -3.737 -4.892 1.00 0.00 C ATOM 1501 CD GLN C 98 -5.649 -2.783 -5.605 1.00 0.00 C ATOM 1502 OE1 GLN C 98 -5.334 -2.267 -6.679 1.00 0.00 O ATOM 1503 NE2 GLN C 98 -6.802 -2.532 -5.002 1.00 0.00 N ATOM 0 H GLN C 98 -2.277 -4.728 -5.879 1.00 0.00 H new ATOM 0 HA GLN C 98 -3.020 -1.998 -6.260 1.00 0.00 H new ATOM 0 HB2 GLN C 98 -2.891 -3.754 -3.778 1.00 0.00 H new ATOM 0 HB3 GLN C 98 -3.668 -2.185 -3.862 1.00 0.00 H new ATOM 0 HG2 GLN C 98 -4.477 -4.569 -5.555 1.00 0.00 H new ATOM 0 HG3 GLN C 98 -5.221 -4.156 -4.023 1.00 0.00 H new ATOM 0 HE21 GLN C 98 -7.021 -2.982 -4.113 1.00 0.00 H new ATOM 0 HE22 GLN C 98 -7.470 -1.889 -5.427 1.00 0.00 H new ATOM 1512 N VAL C 99 -0.319 -2.709 -4.496 1.00 0.00 N ATOM 1513 CA VAL C 99 0.862 -2.083 -3.932 1.00 0.00 C ATOM 1514 C VAL C 99 1.780 -1.500 -5.010 1.00 0.00 C ATOM 1515 O VAL C 99 2.384 -0.446 -4.805 1.00 0.00 O ATOM 1516 CB VAL C 99 1.589 -3.017 -2.937 1.00 0.00 C ATOM 1517 CG1 VAL C 99 1.459 -4.477 -3.279 1.00 0.00 C ATOM 1518 CG2 VAL C 99 3.022 -2.602 -2.671 1.00 0.00 C ATOM 0 H VAL C 99 -0.339 -3.728 -4.445 1.00 0.00 H new ATOM 0 HA VAL C 99 0.528 -1.227 -3.345 1.00 0.00 H new ATOM 0 HB VAL C 99 1.060 -2.892 -1.992 1.00 0.00 H new ATOM 0 HG11 VAL C 99 1.993 -5.073 -2.539 1.00 0.00 H new ATOM 0 HG12 VAL C 99 0.406 -4.758 -3.280 1.00 0.00 H new ATOM 0 HG13 VAL C 99 1.884 -4.659 -4.266 1.00 0.00 H new ATOM 0 HG21 VAL C 99 3.477 -3.297 -1.965 1.00 0.00 H new ATOM 0 HG22 VAL C 99 3.584 -2.614 -3.605 1.00 0.00 H new ATOM 0 HG23 VAL C 99 3.038 -1.596 -2.251 1.00 0.00 H new ATOM 1528 N GLN C 100 1.851 -2.145 -6.164 1.00 0.00 N ATOM 1529 CA GLN C 100 2.672 -1.632 -7.267 1.00 0.00 C ATOM 1530 C GLN C 100 2.129 -0.301 -7.784 1.00 0.00 C ATOM 1531 O GLN C 100 2.898 0.624 -8.040 1.00 0.00 O ATOM 1532 CB GLN C 100 2.785 -2.624 -8.434 1.00 0.00 C ATOM 1533 CG GLN C 100 1.456 -3.096 -8.993 1.00 0.00 C ATOM 1534 CD GLN C 100 1.602 -3.734 -10.358 1.00 0.00 C ATOM 1535 OE1 GLN C 100 2.366 -4.679 -10.537 1.00 0.00 O ATOM 1536 NE2 GLN C 100 0.865 -3.220 -11.331 1.00 0.00 N ATOM 0 H GLN C 100 1.359 -3.015 -6.367 1.00 0.00 H new ATOM 0 HA GLN C 100 3.671 -1.485 -6.855 1.00 0.00 H new ATOM 0 HB2 GLN C 100 3.356 -2.157 -9.236 1.00 0.00 H new ATOM 0 HB3 GLN C 100 3.353 -3.493 -8.101 1.00 0.00 H new ATOM 0 HG2 GLN C 100 1.009 -3.813 -8.305 1.00 0.00 H new ATOM 0 HG3 GLN C 100 0.772 -2.250 -9.061 1.00 0.00 H new ATOM 0 HE21 GLN C 100 0.243 -2.435 -11.139 1.00 0.00 H new ATOM 0 HE22 GLN C 100 0.919 -3.609 -12.272 1.00 0.00 H new ATOM 1545 N HIS C 101 0.805 -0.186 -7.944 1.00 0.00 N ATOM 1546 CA HIS C 101 0.246 1.066 -8.434 1.00 0.00 C ATOM 1547 C HIS C 101 0.183 2.103 -7.310 1.00 0.00 C ATOM 1548 O HIS C 101 0.092 3.299 -7.574 1.00 0.00 O ATOM 1549 CB HIS C 101 -1.115 0.873 -9.120 1.00 0.00 C ATOM 1550 CG HIS C 101 -2.283 0.952 -8.214 1.00 0.00 C ATOM 1551 ND1 HIS C 101 -2.536 0.021 -7.264 1.00 0.00 N ATOM 1552 CD2 HIS C 101 -3.254 1.894 -8.097 1.00 0.00 C ATOM 1553 CE1 HIS C 101 -3.614 0.399 -6.596 1.00 0.00 C ATOM 1554 NE2 HIS C 101 -4.101 1.535 -7.058 1.00 0.00 N ATOM 0 H HIS C 101 0.126 -0.921 -7.747 1.00 0.00 H new ATOM 0 HA HIS C 101 0.916 1.446 -9.205 1.00 0.00 H new ATOM 0 HB2 HIS C 101 -1.224 1.629 -9.898 1.00 0.00 H new ATOM 0 HB3 HIS C 101 -1.122 -0.098 -9.615 1.00 0.00 H new ATOM 0 HD2 HIS C 101 -3.351 2.777 -8.711 1.00 0.00 H new ATOM 0 HE1 HIS C 101 -4.043 -0.154 -5.774 1.00 0.00 H new ATOM 0 HE2 HIS C 101 -4.922 2.040 -6.724 1.00 0.00 H new ATOM 1562 N LEU C 102 0.280 1.658 -6.052 1.00 0.00 N ATOM 1563 CA LEU C 102 0.284 2.609 -4.942 1.00 0.00 C ATOM 1564 C LEU C 102 1.627 3.305 -4.901 1.00 0.00 C ATOM 1565 O LEU C 102 1.701 4.502 -4.657 1.00 0.00 O ATOM 1566 CB LEU C 102 -0.005 1.974 -3.583 1.00 0.00 C ATOM 1567 CG LEU C 102 -1.461 1.596 -3.306 1.00 0.00 C ATOM 1568 CD1 LEU C 102 -1.745 1.624 -1.818 1.00 0.00 C ATOM 1569 CD2 LEU C 102 -2.446 2.467 -4.063 1.00 0.00 C ATOM 0 H LEU C 102 0.354 0.676 -5.785 1.00 0.00 H new ATOM 0 HA LEU C 102 -0.526 3.315 -5.125 1.00 0.00 H new ATOM 0 HB2 LEU C 102 0.605 1.076 -3.489 1.00 0.00 H new ATOM 0 HB3 LEU C 102 0.323 2.665 -2.806 1.00 0.00 H new ATOM 0 HG LEU C 102 -1.601 0.579 -3.672 1.00 0.00 H new ATOM 0 HD11 LEU C 102 -2.786 1.352 -1.641 1.00 0.00 H new ATOM 0 HD12 LEU C 102 -1.093 0.914 -1.310 1.00 0.00 H new ATOM 0 HD13 LEU C 102 -1.561 2.626 -1.431 1.00 0.00 H new ATOM 0 HD21 LEU C 102 -3.463 2.154 -3.829 1.00 0.00 H new ATOM 0 HD22 LEU C 102 -2.310 3.508 -3.771 1.00 0.00 H new ATOM 0 HD23 LEU C 102 -2.273 2.365 -5.134 1.00 0.00 H new ATOM 1581 N GLN C 103 2.689 2.552 -5.188 1.00 0.00 N ATOM 1582 CA GLN C 103 4.028 3.121 -5.232 1.00 0.00 C ATOM 1583 C GLN C 103 4.140 3.977 -6.482 1.00 0.00 C ATOM 1584 O GLN C 103 4.822 5.006 -6.496 1.00 0.00 O ATOM 1585 CB GLN C 103 5.095 2.028 -5.239 1.00 0.00 C ATOM 1586 CG GLN C 103 5.034 1.108 -4.035 1.00 0.00 C ATOM 1587 CD GLN C 103 6.203 0.150 -3.982 1.00 0.00 C ATOM 1588 OE1 GLN C 103 5.920 -1.138 -4.091 1.00 0.00 O flip ATOM 1589 NE2 GLN C 103 7.355 0.568 -3.850 1.00 0.00 N flip ATOM 0 H GLN C 103 2.645 1.554 -5.392 1.00 0.00 H new ATOM 0 HA GLN C 103 4.193 3.728 -4.342 1.00 0.00 H new ATOM 0 HB2 GLN C 103 4.987 1.433 -6.146 1.00 0.00 H new ATOM 0 HB3 GLN C 103 6.080 2.494 -5.279 1.00 0.00 H new ATOM 0 HG2 GLN C 103 5.017 1.707 -3.124 1.00 0.00 H new ATOM 0 HG3 GLN C 103 4.104 0.541 -4.061 1.00 0.00 H new ATOM 0 HE21 GLN C 103 7.528 1.570 -3.770 1.00 0.00 H new ATOM 0 HE22 GLN C 103 8.135 -0.088 -3.821 1.00 0.00 H new ATOM 1598 N ALA C 104 3.412 3.549 -7.515 1.00 0.00 N ATOM 1599 CA ALA C 104 3.346 4.265 -8.777 1.00 0.00 C ATOM 1600 C ALA C 104 2.857 5.673 -8.507 1.00 0.00 C ATOM 1601 O ALA C 104 3.505 6.655 -8.866 1.00 0.00 O ATOM 1602 CB ALA C 104 2.388 3.562 -9.728 1.00 0.00 C ATOM 0 H ALA C 104 2.854 2.696 -7.494 1.00 0.00 H new ATOM 0 HA ALA C 104 4.334 4.293 -9.237 1.00 0.00 H new ATOM 0 HB1 ALA C 104 2.346 4.107 -10.671 1.00 0.00 H new ATOM 0 HB2 ALA C 104 2.738 2.546 -9.911 1.00 0.00 H new ATOM 0 HB3 ALA C 104 1.393 3.529 -9.284 1.00 0.00 H new ATOM 1608 N ALA C 105 1.715 5.742 -7.832 1.00 0.00 N ATOM 1609 CA ALA C 105 1.117 7.003 -7.457 1.00 0.00 C ATOM 1610 C ALA C 105 2.083 7.784 -6.585 1.00 0.00 C ATOM 1611 O ALA C 105 2.301 8.962 -6.815 1.00 0.00 O ATOM 1612 CB ALA C 105 -0.199 6.775 -6.722 1.00 0.00 C ATOM 0 H ALA C 105 1.185 4.924 -7.533 1.00 0.00 H new ATOM 0 HA ALA C 105 0.905 7.577 -8.359 1.00 0.00 H new ATOM 0 HB1 ALA C 105 -0.634 7.736 -6.448 1.00 0.00 H new ATOM 0 HB2 ALA C 105 -0.889 6.236 -7.371 1.00 0.00 H new ATOM 0 HB3 ALA C 105 -0.016 6.190 -5.821 1.00 0.00 H new ATOM 1618 N PHE C 106 2.668 7.098 -5.596 1.00 0.00 N ATOM 1619 CA PHE C 106 3.635 7.695 -4.667 1.00 0.00 C ATOM 1620 C PHE C 106 4.709 8.488 -5.391 1.00 0.00 C ATOM 1621 O PHE C 106 5.194 9.467 -4.860 1.00 0.00 O ATOM 1622 CB PHE C 106 4.329 6.617 -3.833 1.00 0.00 C ATOM 1623 CG PHE C 106 3.795 6.467 -2.440 1.00 0.00 C ATOM 1624 CD1 PHE C 106 3.649 7.571 -1.614 1.00 0.00 C ATOM 1625 CD2 PHE C 106 3.464 5.215 -1.951 1.00 0.00 C ATOM 1626 CE1 PHE C 106 3.171 7.426 -0.328 1.00 0.00 C ATOM 1627 CE2 PHE C 106 2.988 5.064 -0.667 1.00 0.00 C ATOM 1628 CZ PHE C 106 2.842 6.171 0.148 1.00 0.00 C ATOM 0 H PHE C 106 2.484 6.111 -5.417 1.00 0.00 H new ATOM 0 HA PHE C 106 3.064 8.366 -4.025 1.00 0.00 H new ATOM 0 HB2 PHE C 106 4.236 5.661 -4.349 1.00 0.00 H new ATOM 0 HB3 PHE C 106 5.393 6.848 -3.778 1.00 0.00 H new ATOM 0 HD1 PHE C 106 3.912 8.552 -1.980 1.00 0.00 H new ATOM 0 HD2 PHE C 106 3.580 4.347 -2.583 1.00 0.00 H new ATOM 0 HE1 PHE C 106 3.054 8.292 0.306 1.00 0.00 H new ATOM 0 HE2 PHE C 106 2.729 4.083 -0.298 1.00 0.00 H new ATOM 0 HZ PHE C 106 2.471 6.055 1.156 1.00 0.00 H new ATOM 1638 N SER C 107 5.092 8.061 -6.594 1.00 0.00 N ATOM 1639 CA SER C 107 6.130 8.760 -7.354 1.00 0.00 C ATOM 1640 C SER C 107 5.803 10.252 -7.503 1.00 0.00 C ATOM 1641 O SER C 107 6.695 11.102 -7.471 1.00 0.00 O ATOM 1642 CB SER C 107 6.304 8.109 -8.728 1.00 0.00 C ATOM 1643 OG SER C 107 7.332 8.742 -9.470 1.00 0.00 O ATOM 0 H SER C 107 4.703 7.242 -7.061 1.00 0.00 H new ATOM 0 HA SER C 107 7.067 8.680 -6.803 1.00 0.00 H new ATOM 0 HB2 SER C 107 6.539 7.052 -8.605 1.00 0.00 H new ATOM 0 HB3 SER C 107 5.366 8.165 -9.281 1.00 0.00 H new ATOM 0 HG SER C 107 7.422 8.305 -10.342 1.00 0.00 H new ATOM 1649 N GLN C 108 4.519 10.562 -7.648 1.00 0.00 N ATOM 1650 CA GLN C 108 4.063 11.938 -7.793 1.00 0.00 C ATOM 1651 C GLN C 108 3.870 12.619 -6.441 1.00 0.00 C ATOM 1652 O GLN C 108 3.726 13.835 -6.367 1.00 0.00 O ATOM 1653 CB GLN C 108 2.742 11.987 -8.569 1.00 0.00 C ATOM 1654 CG GLN C 108 2.840 11.555 -10.026 1.00 0.00 C ATOM 1655 CD GLN C 108 3.010 10.060 -10.215 1.00 0.00 C ATOM 1656 OE1 GLN C 108 2.151 9.268 -9.835 1.00 0.00 O ATOM 1657 NE2 GLN C 108 4.123 9.666 -10.816 1.00 0.00 N ATOM 0 H GLN C 108 3.770 9.870 -7.668 1.00 0.00 H new ATOM 0 HA GLN C 108 4.838 12.473 -8.343 1.00 0.00 H new ATOM 0 HB2 GLN C 108 2.016 11.349 -8.064 1.00 0.00 H new ATOM 0 HB3 GLN C 108 2.353 13.004 -8.532 1.00 0.00 H new ATOM 0 HG2 GLN C 108 1.941 11.878 -10.551 1.00 0.00 H new ATOM 0 HG3 GLN C 108 3.682 12.068 -10.491 1.00 0.00 H new ATOM 0 HE21 GLN C 108 4.812 10.356 -11.117 1.00 0.00 H new ATOM 0 HE22 GLN C 108 4.291 8.673 -10.978 1.00 0.00 H new ATOM 1666 N TYR C 109 3.872 11.847 -5.376 1.00 0.00 N ATOM 1667 CA TYR C 109 3.707 12.410 -4.045 1.00 0.00 C ATOM 1668 C TYR C 109 5.050 12.452 -3.346 1.00 0.00 C ATOM 1669 O TYR C 109 5.237 13.147 -2.357 1.00 0.00 O ATOM 1670 CB TYR C 109 2.695 11.603 -3.236 1.00 0.00 C ATOM 1671 CG TYR C 109 1.357 11.469 -3.923 1.00 0.00 C ATOM 1672 CD1 TYR C 109 1.145 10.442 -4.819 1.00 0.00 C ATOM 1673 CD2 TYR C 109 0.320 12.377 -3.713 1.00 0.00 C ATOM 1674 CE1 TYR C 109 -0.049 10.299 -5.481 1.00 0.00 C ATOM 1675 CE2 TYR C 109 -0.881 12.236 -4.369 1.00 0.00 C ATOM 1676 CZ TYR C 109 -1.060 11.199 -5.254 1.00 0.00 C ATOM 1677 OH TYR C 109 -2.251 11.066 -5.915 1.00 0.00 O ATOM 0 H TYR C 109 3.985 10.834 -5.400 1.00 0.00 H new ATOM 0 HA TYR C 109 3.321 13.426 -4.132 1.00 0.00 H new ATOM 0 HB2 TYR C 109 3.100 10.609 -3.047 1.00 0.00 H new ATOM 0 HB3 TYR C 109 2.552 12.079 -2.266 1.00 0.00 H new ATOM 0 HD1 TYR C 109 1.938 9.733 -5.004 1.00 0.00 H new ATOM 0 HD2 TYR C 109 0.461 13.200 -3.028 1.00 0.00 H new ATOM 0 HE1 TYR C 109 -0.192 9.484 -6.175 1.00 0.00 H new ATOM 0 HE2 TYR C 109 -1.682 12.938 -4.189 1.00 0.00 H new ATOM 0 HH TYR C 109 -2.203 11.535 -6.774 1.00 0.00 H new ATOM 1687 N LYS C 110 5.991 11.703 -3.891 1.00 0.00 N ATOM 1688 CA LYS C 110 7.335 11.636 -3.352 1.00 0.00 C ATOM 1689 C LYS C 110 8.023 12.994 -3.411 1.00 0.00 C ATOM 1690 O LYS C 110 8.998 13.228 -2.697 1.00 0.00 O ATOM 1691 CB LYS C 110 8.161 10.566 -4.076 1.00 0.00 C ATOM 1692 CG LYS C 110 7.981 9.182 -3.481 1.00 0.00 C ATOM 1693 CD LYS C 110 8.875 8.151 -4.152 1.00 0.00 C ATOM 1694 CE LYS C 110 8.744 6.790 -3.487 1.00 0.00 C ATOM 1695 NZ LYS C 110 9.560 5.749 -4.167 1.00 0.00 N ATOM 0 H LYS C 110 5.844 11.125 -4.719 1.00 0.00 H new ATOM 0 HA LYS C 110 7.260 11.351 -2.303 1.00 0.00 H new ATOM 0 HB2 LYS C 110 7.877 10.544 -5.128 1.00 0.00 H new ATOM 0 HB3 LYS C 110 9.215 10.839 -4.037 1.00 0.00 H new ATOM 0 HG2 LYS C 110 8.203 9.215 -2.414 1.00 0.00 H new ATOM 0 HG3 LYS C 110 6.939 8.878 -3.581 1.00 0.00 H new ATOM 0 HD2 LYS C 110 8.612 8.070 -5.207 1.00 0.00 H new ATOM 0 HD3 LYS C 110 9.913 8.482 -4.107 1.00 0.00 H new ATOM 0 HE2 LYS C 110 9.052 6.866 -2.444 1.00 0.00 H new ATOM 0 HE3 LYS C 110 7.697 6.486 -3.489 1.00 0.00 H new ATOM 0 HZ1 LYS C 110 9.439 4.839 -3.679 1.00 0.00 H new ATOM 0 HZ2 LYS C 110 9.250 5.656 -5.155 1.00 0.00 H new ATOM 0 HZ3 LYS C 110 10.563 6.024 -4.143 1.00 0.00 H new ATOM 1709 N LYS C 111 7.517 13.908 -4.239 1.00 0.00 N ATOM 1710 CA LYS C 111 8.133 15.225 -4.309 1.00 0.00 C ATOM 1711 C LYS C 111 7.335 16.272 -3.520 1.00 0.00 C ATOM 1712 O LYS C 111 7.455 17.469 -3.763 1.00 0.00 O ATOM 1713 CB LYS C 111 8.364 15.682 -5.757 1.00 0.00 C ATOM 1714 CG LYS C 111 7.148 16.272 -6.457 1.00 0.00 C ATOM 1715 CD LYS C 111 6.331 15.234 -7.201 1.00 0.00 C ATOM 1716 CE LYS C 111 5.139 15.873 -7.908 1.00 0.00 C ATOM 1717 NZ LYS C 111 5.543 16.945 -8.857 1.00 0.00 N ATOM 0 H LYS C 111 6.712 13.766 -4.849 1.00 0.00 H new ATOM 0 HA LYS C 111 9.112 15.132 -3.839 1.00 0.00 H new ATOM 0 HB2 LYS C 111 9.162 16.425 -5.763 1.00 0.00 H new ATOM 0 HB3 LYS C 111 8.718 14.830 -6.337 1.00 0.00 H new ATOM 0 HG2 LYS C 111 6.514 16.765 -5.719 1.00 0.00 H new ATOM 0 HG3 LYS C 111 7.476 17.039 -7.158 1.00 0.00 H new ATOM 0 HD2 LYS C 111 6.961 14.727 -7.931 1.00 0.00 H new ATOM 0 HD3 LYS C 111 5.979 14.475 -6.502 1.00 0.00 H new ATOM 0 HE2 LYS C 111 4.587 15.104 -8.448 1.00 0.00 H new ATOM 0 HE3 LYS C 111 4.460 16.289 -7.164 1.00 0.00 H new ATOM 0 HZ1 LYS C 111 4.792 17.086 -9.562 1.00 0.00 H new ATOM 0 HZ2 LYS C 111 5.698 17.831 -8.335 1.00 0.00 H new ATOM 0 HZ3 LYS C 111 6.422 16.669 -9.339 1.00 0.00 H new ATOM 1731 N VAL C 112 6.527 15.828 -2.566 1.00 0.00 N ATOM 1732 CA VAL C 112 5.739 16.762 -1.759 1.00 0.00 C ATOM 1733 C VAL C 112 6.095 16.688 -0.273 1.00 0.00 C ATOM 1734 O VAL C 112 5.691 17.540 0.512 1.00 0.00 O ATOM 1735 CB VAL C 112 4.226 16.517 -1.912 1.00 0.00 C ATOM 1736 CG1 VAL C 112 3.840 16.395 -3.377 1.00 0.00 C ATOM 1737 CG2 VAL C 112 3.780 15.283 -1.148 1.00 0.00 C ATOM 0 H VAL C 112 6.398 14.844 -2.331 1.00 0.00 H new ATOM 0 HA VAL C 112 5.987 17.754 -2.136 1.00 0.00 H new ATOM 0 HB VAL C 112 3.715 17.381 -1.487 1.00 0.00 H new ATOM 0 HG11 VAL C 112 2.767 16.222 -3.457 1.00 0.00 H new ATOM 0 HG12 VAL C 112 4.100 17.316 -3.900 1.00 0.00 H new ATOM 0 HG13 VAL C 112 4.377 15.559 -3.826 1.00 0.00 H new ATOM 0 HG21 VAL C 112 2.707 15.142 -1.279 1.00 0.00 H new ATOM 0 HG22 VAL C 112 4.310 14.409 -1.527 1.00 0.00 H new ATOM 0 HG23 VAL C 112 4.002 15.411 -0.089 1.00 0.00 H new ATOM 1747 N GLU C 113 6.816 15.648 0.103 1.00 0.00 N ATOM 1748 CA GLU C 113 7.209 15.420 1.500 1.00 0.00 C ATOM 1749 C GLU C 113 8.363 16.320 1.940 1.00 0.00 C ATOM 1750 O GLU C 113 8.540 16.599 3.128 1.00 0.00 O ATOM 1751 CB GLU C 113 7.672 13.972 1.653 1.00 0.00 C ATOM 1752 CG GLU C 113 8.966 13.684 0.894 1.00 0.00 C ATOM 1753 CD GLU C 113 9.614 12.385 1.300 1.00 0.00 C ATOM 1754 OE1 GLU C 113 9.928 12.233 2.496 1.00 0.00 O ATOM 1755 OE2 GLU C 113 9.832 11.526 0.425 1.00 0.00 O ATOM 0 H GLU C 113 7.150 14.933 -0.543 1.00 0.00 H new ATOM 0 HA GLU C 113 6.340 15.644 2.119 1.00 0.00 H new ATOM 0 HB2 GLU C 113 7.819 13.752 2.710 1.00 0.00 H new ATOM 0 HB3 GLU C 113 6.889 13.304 1.294 1.00 0.00 H new ATOM 0 HG2 GLU C 113 8.755 13.659 -0.175 1.00 0.00 H new ATOM 0 HG3 GLU C 113 9.668 14.501 1.062 1.00 0.00 H new ATOM 1762 N LEU C 114 9.187 16.681 0.977 1.00 0.00 N ATOM 1763 CA LEU C 114 10.395 17.456 1.219 1.00 0.00 C ATOM 1764 C LEU C 114 10.183 18.956 1.125 1.00 0.00 C ATOM 1765 O LEU C 114 10.730 19.705 1.934 1.00 0.00 O ATOM 1766 CB LEU C 114 11.442 16.993 0.216 1.00 0.00 C ATOM 1767 CG LEU C 114 10.873 16.079 -0.871 1.00 0.00 C ATOM 1768 CD1 LEU C 114 10.523 16.862 -2.114 1.00 0.00 C ATOM 1769 CD2 LEU C 114 11.842 14.981 -1.209 1.00 0.00 C ATOM 0 H LEU C 114 9.039 16.445 -0.004 1.00 0.00 H new ATOM 0 HA LEU C 114 10.721 17.281 2.244 1.00 0.00 H new ATOM 0 HB2 LEU C 114 11.897 17.865 -0.253 1.00 0.00 H new ATOM 0 HB3 LEU C 114 12.235 16.466 0.746 1.00 0.00 H new ATOM 0 HG LEU C 114 9.960 15.631 -0.479 1.00 0.00 H new ATOM 0 HD11 LEU C 114 10.121 16.186 -2.869 1.00 0.00 H new ATOM 0 HD12 LEU C 114 9.777 17.618 -1.870 1.00 0.00 H new ATOM 0 HD13 LEU C 114 11.418 17.348 -2.502 1.00 0.00 H new ATOM 0 HD21 LEU C 114 11.415 14.345 -1.984 1.00 0.00 H new ATOM 0 HD22 LEU C 114 12.774 15.416 -1.570 1.00 0.00 H new ATOM 0 HD23 LEU C 114 12.041 14.385 -0.319 1.00 0.00 H new ATOM 1781 N PHE C 115 9.415 19.390 0.128 1.00 0.00 N ATOM 1782 CA PHE C 115 9.148 20.829 -0.077 1.00 0.00 C ATOM 1783 C PHE C 115 8.794 21.533 1.244 1.00 0.00 C ATOM 1784 O PHE C 115 9.545 22.389 1.707 1.00 0.00 O ATOM 1785 CB PHE C 115 8.050 21.073 -1.133 1.00 0.00 C ATOM 1786 CG PHE C 115 8.424 20.661 -2.526 1.00 0.00 C ATOM 1787 CD1 PHE C 115 9.543 19.886 -2.757 1.00 0.00 C ATOM 1788 CD2 PHE C 115 7.653 21.056 -3.601 1.00 0.00 C ATOM 1789 CE1 PHE C 115 9.889 19.511 -4.038 1.00 0.00 C ATOM 1790 CE2 PHE C 115 7.992 20.686 -4.887 1.00 0.00 C ATOM 1791 CZ PHE C 115 9.116 19.913 -5.104 1.00 0.00 C ATOM 0 H PHE C 115 8.965 18.777 -0.552 1.00 0.00 H new ATOM 0 HA PHE C 115 10.072 21.264 -0.457 1.00 0.00 H new ATOM 0 HB2 PHE C 115 7.152 20.532 -0.836 1.00 0.00 H new ATOM 0 HB3 PHE C 115 7.797 22.133 -1.137 1.00 0.00 H new ATOM 0 HD1 PHE C 115 10.154 19.570 -1.925 1.00 0.00 H new ATOM 0 HD2 PHE C 115 6.774 21.661 -3.434 1.00 0.00 H new ATOM 0 HE1 PHE C 115 10.766 18.903 -4.205 1.00 0.00 H new ATOM 0 HE2 PHE C 115 7.381 21.000 -5.720 1.00 0.00 H new ATOM 0 HZ PHE C 115 9.388 19.624 -6.109 1.00 0.00 H new ATOM 1801 N PRO C 116 7.669 21.175 1.885 1.00 0.00 N ATOM 1802 CA PRO C 116 7.266 21.771 3.163 1.00 0.00 C ATOM 1803 C PRO C 116 8.005 21.132 4.337 1.00 0.00 C ATOM 1804 O PRO C 116 8.690 20.124 4.168 1.00 0.00 O ATOM 1805 CB PRO C 116 5.780 21.437 3.232 1.00 0.00 C ATOM 1806 CG PRO C 116 5.676 20.124 2.535 1.00 0.00 C ATOM 1807 CD PRO C 116 6.707 20.154 1.438 1.00 0.00 C ATOM 0 HA PRO C 116 7.487 22.837 3.222 1.00 0.00 H new ATOM 0 HB2 PRO C 116 5.433 21.371 4.263 1.00 0.00 H new ATOM 0 HB3 PRO C 116 5.176 22.199 2.740 1.00 0.00 H new ATOM 0 HG2 PRO C 116 5.863 19.300 3.224 1.00 0.00 H new ATOM 0 HG3 PRO C 116 4.676 19.977 2.127 1.00 0.00 H new ATOM 0 HD2 PRO C 116 7.185 19.183 1.312 1.00 0.00 H new ATOM 0 HD3 PRO C 116 6.262 20.417 0.478 1.00 0.00 H new ATOM 1815 N ASN C 117 7.859 21.706 5.524 1.00 0.00 N ATOM 1816 CA ASN C 117 8.519 21.155 6.705 1.00 0.00 C ATOM 1817 C ASN C 117 7.494 20.681 7.727 1.00 0.00 C ATOM 1818 O ASN C 117 7.071 19.526 7.696 1.00 0.00 O ATOM 1819 CB ASN C 117 9.463 22.183 7.339 1.00 0.00 C ATOM 1820 CG ASN C 117 10.345 21.567 8.410 1.00 0.00 C ATOM 1821 OD1 ASN C 117 11.106 20.640 8.144 1.00 0.00 O ATOM 1822 ND2 ASN C 117 10.246 22.076 9.630 1.00 0.00 N ATOM 0 H ASN C 117 7.299 22.541 5.696 1.00 0.00 H new ATOM 0 HA ASN C 117 9.111 20.298 6.384 1.00 0.00 H new ATOM 0 HB2 ASN C 117 10.090 22.625 6.564 1.00 0.00 H new ATOM 0 HB3 ASN C 117 8.877 22.992 7.774 1.00 0.00 H new ATOM 0 HD21 ASN C 117 10.814 21.698 10.388 1.00 0.00 H new ATOM 0 HD22 ASN C 117 9.602 22.846 9.811 1.00 0.00 H new ATOM 1829 N GLY C 118 7.093 21.574 8.627 1.00 0.00 N ATOM 1830 CA GLY C 118 6.121 21.216 9.645 1.00 0.00 C ATOM 1831 C GLY C 118 6.695 20.253 10.661 1.00 0.00 C ATOM 1832 O GLY C 118 6.208 19.131 10.807 1.00 0.00 O ATOM 0 H GLY C 118 7.423 22.538 8.670 1.00 0.00 H new ATOM 0 HA2 GLY C 118 5.779 22.118 10.153 1.00 0.00 H new ATOM 0 HA3 GLY C 118 5.248 20.766 9.171 1.00 0.00 H new ATOM 1836 N GLY C 119 7.741 20.685 11.347 1.00 0.00 N ATOM 1837 CA GLY C 119 8.387 19.843 12.332 1.00 0.00 C ATOM 1838 C GLY C 119 9.477 18.999 11.708 1.00 0.00 C ATOM 1839 O GLY C 119 10.596 19.474 11.504 1.00 0.00 O ATOM 0 H GLY C 119 8.157 21.610 11.238 1.00 0.00 H new ATOM 0 HA2 GLY C 119 8.812 20.464 13.121 1.00 0.00 H new ATOM 0 HA3 GLY C 119 7.646 19.195 12.801 1.00 0.00 H new ATOM 1843 N ILE C 120 9.144 17.757 11.383 1.00 0.00 N ATOM 1844 CA ILE C 120 10.096 16.855 10.755 1.00 0.00 C ATOM 1845 C ILE C 120 9.518 16.301 9.457 1.00 0.00 C ATOM 1846 O ILE C 120 8.295 16.078 9.400 1.00 0.00 O ATOM 1847 CB ILE C 120 10.489 15.682 11.680 1.00 0.00 C ATOM 1848 CG1 ILE C 120 9.254 14.890 12.119 1.00 0.00 C ATOM 1849 CG2 ILE C 120 11.249 16.191 12.898 1.00 0.00 C ATOM 1850 CD1 ILE C 120 9.576 13.688 12.979 1.00 0.00 C ATOM 1851 OXT ILE C 120 10.293 16.095 8.503 1.00 0.00 O ATOM 0 H ILE C 120 8.222 17.353 11.544 1.00 0.00 H new ATOM 0 HA ILE C 120 10.995 17.435 10.548 1.00 0.00 H new ATOM 0 HB ILE C 120 11.140 15.014 11.115 1.00 0.00 H new ATOM 0 HG12 ILE C 120 8.586 15.552 12.671 1.00 0.00 H new ATOM 0 HG13 ILE C 120 8.713 14.557 11.233 1.00 0.00 H new ATOM 0 HG21 ILE C 120 11.517 15.350 13.537 1.00 0.00 H new ATOM 0 HG22 ILE C 120 12.155 16.703 12.574 1.00 0.00 H new ATOM 0 HG23 ILE C 120 10.620 16.885 13.456 1.00 0.00 H new ATOM 0 HD11 ILE C 120 8.652 13.177 13.251 1.00 0.00 H new ATOM 0 HD12 ILE C 120 10.218 13.005 12.424 1.00 0.00 H new ATOM 0 HD13 ILE C 120 10.090 14.015 13.883 1.00 0.00 H new TER 1863 ILE C 120