USER MOD reduce.3.24.130724 H: found=0, std=0, add=930, rem=0, adj=19 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 Set 1.1: C 87 SER OG : rot 38:sc= 0.896 USER MOD Set 1.2: C 90 GLN : amide:sc= -2.74! C(o=-1.8!,f=-6.9!) USER MOD Set 2.1: B 47 SER OG : rot 41:sc= 0.855 USER MOD Set 2.2: B 50 GLN : amide:sc= -2.82! C(o=-2!,f=-7.4!) USER MOD Set 3.1: A 7 SER OG : rot 39:sc= 0.662 USER MOD Set 3.2: A 10 GLN : amide:sc= -3.02! C(o=-2.4!,f=-6.8!) USER MOD Single : A 1 GLY N :NH3+ 166:sc= 1.22 (180deg=0.999) USER MOD Single : A 11 GLN : amide:sc= -0.182 K(o=-0.18,f=-11!) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 GLN : amide:sc= -0.0836 X(o=-0.084,f=0) USER MOD Single : A 20 GLN : amide:sc= -1.41! C(o=-1.4!,f=-1.4!) USER MOD Single : A 21 HIS : no HD1:sc= -6.16! C(o=-6.2!,f=-8.4!) USER MOD Single : A 23 GLN : amide:sc= -0.225 X(o=-0.23,f=-0.23) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 GLN :FLIP amide:sc= 0 F(o=-0.86!,f=0) USER MOD Single : A 29 TYR OH : rot -45:sc= 1.05 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ -173:sc= 0.308 (180deg=0.231) USER MOD Single : A 37 ASN :FLIP amide:sc= -1.31 F(o=-2.6!,f=-1.3) USER MOD Single : B 51 GLN : amide:sc= -0.126 K(o=-0.13,f=-11!) USER MOD Single : B 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 58 GLN : amide:sc= -0.0433 X(o=-0.043,f=0) USER MOD Single : B 60 GLN : amide:sc= -1.23 X(o=-1.2,f=-1.2) USER MOD Single : B 61 HIS : no HD1:sc= -6.05! C(o=-6!,f=-8!) USER MOD Single : B 63 GLN : amide:sc= -0.207 X(o=-0.21,f=-0.21) USER MOD Single : B 67 SER OG : rot 180:sc= 0 USER MOD Single : B 68 GLN :FLIP amide:sc= 0 F(o=-1.1!,f=0) USER MOD Single : B 69 TYR OH : rot -45:sc= 0.991 USER MOD Single : B 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 71 LYS NZ :NH3+ -172:sc= 0.19 (180deg=0.148) USER MOD Single : B 77 ASN :FLIP amide:sc= -1.03 F(o=-2.2!,f=-1) USER MOD Single : C 91 GLN : amide:sc= 0.16 K(o=0.16,f=-11!) USER MOD Single : C 96 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : C 98 GLN : amide:sc= -0.0994 X(o=-0.099,f=0) USER MOD Single : C 100 GLN : amide:sc= -1.05 X(o=-1,f=-1) USER MOD Single : C 101 HIS : no HD1:sc= -6.01! C(o=-6!,f=-8.5!) USER MOD Single : C 103 GLN : amide:sc= -0.168 X(o=-0.17,f=-0.17) USER MOD Single : C 107 SER OG : rot 180:sc= 0 USER MOD Single : C 108 GLN :FLIP amide:sc= 0 F(o=-1!,f=0) USER MOD Single : C 109 TYR OH : rot -52:sc= 0.93 USER MOD Single : C 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 111 LYS NZ :NH3+ -174:sc= 0.222 (180deg=0.177) USER MOD Single : C 117 ASN :FLIP amide:sc= -1.07 F(o=-2.4!,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -0.528 -27.523 7.570 1.00 0.00 N ATOM 2 CA GLY A 1 -1.613 -28.312 6.934 1.00 0.00 C ATOM 3 C GLY A 1 -2.773 -27.446 6.496 1.00 0.00 C ATOM 4 O GLY A 1 -2.568 -26.301 6.086 1.00 0.00 O ATOM 0 H1 GLY A 1 0.126 -28.165 8.061 1.00 0.00 H new ATOM 0 H2 GLY A 1 -0.010 -26.993 6.840 1.00 0.00 H new ATOM 0 H3 GLY A 1 -0.939 -26.857 8.255 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -1.214 -28.844 6.071 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -1.970 -29.066 7.636 1.00 0.00 H new ATOM 10 N LEU A 2 -3.992 -27.988 6.575 1.00 0.00 N ATOM 11 CA LEU A 2 -5.202 -27.260 6.177 1.00 0.00 C ATOM 12 C LEU A 2 -5.362 -25.965 6.976 1.00 0.00 C ATOM 13 O LEU A 2 -5.483 -24.901 6.376 1.00 0.00 O ATOM 14 CB LEU A 2 -6.460 -28.135 6.322 1.00 0.00 C ATOM 15 CG LEU A 2 -6.594 -29.313 5.346 1.00 0.00 C ATOM 16 CD1 LEU A 2 -5.600 -30.417 5.670 1.00 0.00 C ATOM 17 CD2 LEU A 2 -8.011 -29.856 5.376 1.00 0.00 C ATOM 0 H LEU A 2 -4.168 -28.934 6.913 1.00 0.00 H new ATOM 0 HA LEU A 2 -5.087 -27.001 5.124 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -6.485 -28.530 7.338 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -7.335 -27.495 6.206 1.00 0.00 H new ATOM 0 HG LEU A 2 -6.372 -28.947 4.344 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -5.721 -31.236 4.961 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -4.585 -30.025 5.601 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -5.780 -30.783 6.681 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -8.095 -30.691 4.680 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -8.249 -30.198 6.383 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -8.708 -29.070 5.086 1.00 0.00 H new ATOM 29 N PRO A 3 -5.404 -26.027 8.332 1.00 0.00 N ATOM 30 CA PRO A 3 -5.573 -24.846 9.175 1.00 0.00 C ATOM 31 C PRO A 3 -4.720 -23.662 8.720 1.00 0.00 C ATOM 32 O PRO A 3 -5.195 -22.531 8.649 1.00 0.00 O ATOM 33 CB PRO A 3 -5.091 -25.313 10.545 1.00 0.00 C ATOM 34 CG PRO A 3 -5.347 -26.776 10.572 1.00 0.00 C ATOM 35 CD PRO A 3 -5.351 -27.254 9.143 1.00 0.00 C ATOM 0 HA PRO A 3 -6.604 -24.492 9.151 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -4.032 -25.096 10.684 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -5.628 -24.805 11.346 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -4.578 -27.291 11.148 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -6.302 -26.991 11.052 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -4.458 -27.837 8.919 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -6.209 -27.896 8.944 1.00 0.00 H new ATOM 43 N ASP A 4 -3.456 -23.945 8.418 1.00 0.00 N ATOM 44 CA ASP A 4 -2.507 -22.926 7.971 1.00 0.00 C ATOM 45 C ASP A 4 -2.983 -22.254 6.689 1.00 0.00 C ATOM 46 O ASP A 4 -2.879 -21.041 6.537 1.00 0.00 O ATOM 47 CB ASP A 4 -1.132 -23.545 7.721 1.00 0.00 C ATOM 48 CG ASP A 4 -0.603 -24.312 8.908 1.00 0.00 C ATOM 49 OD1 ASP A 4 -1.152 -25.390 9.213 1.00 0.00 O ATOM 50 OD2 ASP A 4 0.360 -23.832 9.537 1.00 0.00 O ATOM 0 H ASP A 4 -3.060 -24.883 8.475 1.00 0.00 H new ATOM 0 HA ASP A 4 -2.437 -22.179 8.762 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -1.192 -24.213 6.862 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -0.426 -22.755 7.462 1.00 0.00 H new ATOM 55 N VAL A 5 -3.505 -23.062 5.778 1.00 0.00 N ATOM 56 CA VAL A 5 -4.006 -22.575 4.504 1.00 0.00 C ATOM 57 C VAL A 5 -5.153 -21.585 4.714 1.00 0.00 C ATOM 58 O VAL A 5 -5.136 -20.477 4.176 1.00 0.00 O ATOM 59 CB VAL A 5 -4.488 -23.752 3.632 1.00 0.00 C ATOM 60 CG1 VAL A 5 -5.049 -23.271 2.309 1.00 0.00 C ATOM 61 CG2 VAL A 5 -3.360 -24.744 3.398 1.00 0.00 C ATOM 0 H VAL A 5 -3.592 -24.071 5.902 1.00 0.00 H new ATOM 0 HA VAL A 5 -3.190 -22.062 3.994 1.00 0.00 H new ATOM 0 HB VAL A 5 -5.290 -24.254 4.173 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -5.379 -24.127 1.721 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -5.895 -22.609 2.492 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -4.277 -22.730 1.761 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -3.721 -25.567 2.781 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -2.535 -24.244 2.890 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -3.014 -25.134 4.355 1.00 0.00 H new ATOM 71 N ALA A 6 -6.145 -21.987 5.505 1.00 0.00 N ATOM 72 CA ALA A 6 -7.291 -21.128 5.785 1.00 0.00 C ATOM 73 C ALA A 6 -6.879 -19.917 6.615 1.00 0.00 C ATOM 74 O ALA A 6 -7.424 -18.828 6.453 1.00 0.00 O ATOM 75 CB ALA A 6 -8.387 -21.907 6.486 1.00 0.00 C ATOM 0 H ALA A 6 -6.178 -22.899 5.961 1.00 0.00 H new ATOM 0 HA ALA A 6 -7.680 -20.768 4.833 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -9.232 -21.248 6.685 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -8.712 -22.731 5.850 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -8.006 -22.304 7.427 1.00 0.00 H new ATOM 81 N SER A 7 -5.898 -20.103 7.487 1.00 0.00 N ATOM 82 CA SER A 7 -5.400 -19.013 8.317 1.00 0.00 C ATOM 83 C SER A 7 -4.686 -17.996 7.435 1.00 0.00 C ATOM 84 O SER A 7 -4.536 -16.828 7.794 1.00 0.00 O ATOM 85 CB SER A 7 -4.455 -19.557 9.396 1.00 0.00 C ATOM 86 OG SER A 7 -4.225 -18.610 10.433 1.00 0.00 O ATOM 0 H SER A 7 -5.431 -20.997 7.639 1.00 0.00 H new ATOM 0 HA SER A 7 -6.236 -18.524 8.817 1.00 0.00 H new ATOM 0 HB2 SER A 7 -4.878 -20.466 9.823 1.00 0.00 H new ATOM 0 HB3 SER A 7 -3.504 -19.832 8.939 1.00 0.00 H new ATOM 0 HG SER A 7 -5.058 -18.132 10.630 1.00 0.00 H new ATOM 92 N LEU A 8 -4.271 -18.438 6.259 1.00 0.00 N ATOM 93 CA LEU A 8 -3.604 -17.557 5.327 1.00 0.00 C ATOM 94 C LEU A 8 -4.617 -16.644 4.652 1.00 0.00 C ATOM 95 O LEU A 8 -4.289 -15.529 4.276 1.00 0.00 O ATOM 96 CB LEU A 8 -2.821 -18.370 4.292 1.00 0.00 C ATOM 97 CG LEU A 8 -2.096 -17.559 3.218 1.00 0.00 C ATOM 98 CD1 LEU A 8 -1.097 -16.601 3.843 1.00 0.00 C ATOM 99 CD2 LEU A 8 -1.398 -18.486 2.243 1.00 0.00 C ATOM 0 H LEU A 8 -4.385 -19.397 5.932 1.00 0.00 H new ATOM 0 HA LEU A 8 -2.895 -16.935 5.873 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -2.086 -18.980 4.817 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -3.511 -19.055 3.799 1.00 0.00 H new ATOM 0 HG LEU A 8 -2.837 -16.971 2.676 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -0.595 -16.036 3.058 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -1.619 -15.913 4.508 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -0.359 -17.166 4.413 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -0.886 -17.896 1.483 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -0.672 -19.097 2.779 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -2.134 -19.132 1.765 1.00 0.00 H new ATOM 111 N ARG A 9 -5.859 -17.110 4.526 1.00 0.00 N ATOM 112 CA ARG A 9 -6.918 -16.307 3.918 1.00 0.00 C ATOM 113 C ARG A 9 -7.154 -15.063 4.763 1.00 0.00 C ATOM 114 O ARG A 9 -7.279 -13.960 4.239 1.00 0.00 O ATOM 115 CB ARG A 9 -8.234 -17.092 3.800 1.00 0.00 C ATOM 116 CG ARG A 9 -8.076 -18.567 3.463 1.00 0.00 C ATOM 117 CD ARG A 9 -7.230 -18.796 2.222 1.00 0.00 C ATOM 118 NE ARG A 9 -7.784 -18.146 1.030 1.00 0.00 N ATOM 119 CZ ARG A 9 -8.871 -18.561 0.376 1.00 0.00 C ATOM 120 NH1 ARG A 9 -9.544 -19.624 0.802 1.00 0.00 N ATOM 121 NH2 ARG A 9 -9.286 -17.906 -0.698 1.00 0.00 N ATOM 0 H ARG A 9 -6.155 -18.036 4.836 1.00 0.00 H new ATOM 0 HA ARG A 9 -6.596 -16.034 2.913 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -8.776 -17.006 4.742 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -8.851 -16.624 3.033 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -7.621 -19.082 4.309 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -9.061 -19.009 3.313 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -6.222 -18.420 2.400 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -7.143 -19.867 2.039 1.00 0.00 H new ATOM 0 HE ARG A 9 -7.305 -17.318 0.676 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -9.231 -20.127 1.632 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -10.374 -19.937 0.299 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -8.775 -17.086 -1.024 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -10.117 -18.222 -1.199 1.00 0.00 H new ATOM 135 N GLN A 10 -7.191 -15.256 6.084 1.00 0.00 N ATOM 136 CA GLN A 10 -7.384 -14.149 7.018 1.00 0.00 C ATOM 137 C GLN A 10 -6.175 -13.218 7.003 1.00 0.00 C ATOM 138 O GLN A 10 -6.326 -11.999 7.088 1.00 0.00 O ATOM 139 CB GLN A 10 -7.651 -14.659 8.439 1.00 0.00 C ATOM 140 CG GLN A 10 -7.161 -16.074 8.707 1.00 0.00 C ATOM 141 CD GLN A 10 -7.245 -16.458 10.172 1.00 0.00 C ATOM 142 OE1 GLN A 10 -6.934 -17.586 10.545 1.00 0.00 O ATOM 143 NE2 GLN A 10 -7.669 -15.520 11.009 1.00 0.00 N ATOM 0 H GLN A 10 -7.090 -16.168 6.528 1.00 0.00 H new ATOM 0 HA GLN A 10 -8.260 -13.588 6.693 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -7.174 -13.983 9.149 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -8.723 -14.618 8.630 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -7.751 -16.776 8.118 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -6.128 -16.166 8.371 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -7.917 -14.596 10.656 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -7.747 -15.723 12.006 1.00 0.00 H new ATOM 152 N GLN A 11 -4.978 -13.794 6.867 1.00 0.00 N ATOM 153 CA GLN A 11 -3.755 -12.996 6.809 1.00 0.00 C ATOM 154 C GLN A 11 -3.788 -12.103 5.570 1.00 0.00 C ATOM 155 O GLN A 11 -3.302 -10.976 5.578 1.00 0.00 O ATOM 156 CB GLN A 11 -2.517 -13.894 6.763 1.00 0.00 C ATOM 157 CG GLN A 11 -2.311 -14.733 8.012 1.00 0.00 C ATOM 158 CD GLN A 11 -1.106 -15.648 7.903 1.00 0.00 C ATOM 159 OE1 GLN A 11 -1.062 -16.538 7.051 1.00 0.00 O ATOM 160 NE2 GLN A 11 -0.112 -15.422 8.746 1.00 0.00 N ATOM 0 H GLN A 11 -4.832 -14.801 6.796 1.00 0.00 H new ATOM 0 HA GLN A 11 -3.700 -12.381 7.707 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -2.595 -14.558 5.902 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -1.636 -13.272 6.607 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -2.187 -14.075 8.872 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -3.203 -15.332 8.195 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -0.189 -14.675 9.436 1.00 0.00 H new ATOM 0 HE22 GLN A 11 0.731 -15.995 8.706 1.00 0.00 H new ATOM 169 N VAL A 12 -4.394 -12.620 4.513 1.00 0.00 N ATOM 170 CA VAL A 12 -4.535 -11.894 3.265 1.00 0.00 C ATOM 171 C VAL A 12 -5.562 -10.774 3.412 1.00 0.00 C ATOM 172 O VAL A 12 -5.393 -9.697 2.848 1.00 0.00 O ATOM 173 CB VAL A 12 -4.933 -12.860 2.124 1.00 0.00 C ATOM 174 CG1 VAL A 12 -5.313 -12.122 0.858 1.00 0.00 C ATOM 175 CG2 VAL A 12 -3.801 -13.832 1.838 1.00 0.00 C ATOM 0 H VAL A 12 -4.801 -13.555 4.498 1.00 0.00 H new ATOM 0 HA VAL A 12 -3.575 -11.443 3.013 1.00 0.00 H new ATOM 0 HB VAL A 12 -5.811 -13.412 2.459 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -5.585 -12.841 0.085 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -6.161 -11.468 1.059 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -4.467 -11.525 0.517 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -4.095 -14.506 1.033 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -2.911 -13.277 1.540 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -3.584 -14.412 2.735 1.00 0.00 H new ATOM 185 N GLU A 13 -6.604 -11.022 4.207 1.00 0.00 N ATOM 186 CA GLU A 13 -7.626 -10.014 4.461 1.00 0.00 C ATOM 187 C GLU A 13 -7.019 -8.860 5.241 1.00 0.00 C ATOM 188 O GLU A 13 -7.472 -7.719 5.154 1.00 0.00 O ATOM 189 CB GLU A 13 -8.793 -10.612 5.241 1.00 0.00 C ATOM 190 CG GLU A 13 -9.539 -11.694 4.484 1.00 0.00 C ATOM 191 CD GLU A 13 -10.697 -12.242 5.274 1.00 0.00 C ATOM 192 OE1 GLU A 13 -10.864 -11.839 6.442 1.00 0.00 O ATOM 193 OE2 GLU A 13 -11.446 -13.069 4.728 1.00 0.00 O ATOM 0 H GLU A 13 -6.759 -11.910 4.683 1.00 0.00 H new ATOM 0 HA GLU A 13 -8.003 -9.650 3.505 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -8.419 -11.027 6.177 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -9.491 -9.816 5.502 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -9.904 -11.289 3.540 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -8.852 -12.504 4.239 1.00 0.00 H new ATOM 200 N ALA A 14 -5.966 -9.179 5.980 1.00 0.00 N ATOM 201 CA ALA A 14 -5.233 -8.200 6.765 1.00 0.00 C ATOM 202 C ALA A 14 -4.488 -7.267 5.830 1.00 0.00 C ATOM 203 O ALA A 14 -4.619 -6.045 5.902 1.00 0.00 O ATOM 204 CB ALA A 14 -4.239 -8.912 7.655 1.00 0.00 C ATOM 0 H ALA A 14 -5.596 -10.127 6.051 1.00 0.00 H new ATOM 0 HA ALA A 14 -5.929 -7.628 7.379 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -3.688 -8.179 8.245 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -4.770 -9.590 8.323 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -3.542 -9.481 7.040 1.00 0.00 H new ATOM 210 N LEU A 15 -3.713 -7.880 4.939 1.00 0.00 N ATOM 211 CA LEU A 15 -2.934 -7.160 3.938 1.00 0.00 C ATOM 212 C LEU A 15 -3.840 -6.274 3.095 1.00 0.00 C ATOM 213 O LEU A 15 -3.463 -5.176 2.686 1.00 0.00 O ATOM 214 CB LEU A 15 -2.195 -8.157 3.036 1.00 0.00 C ATOM 215 CG LEU A 15 -0.772 -8.515 3.472 1.00 0.00 C ATOM 216 CD1 LEU A 15 0.094 -7.273 3.486 1.00 0.00 C ATOM 217 CD2 LEU A 15 -0.759 -9.178 4.838 1.00 0.00 C ATOM 0 H LEU A 15 -3.608 -8.893 4.892 1.00 0.00 H new ATOM 0 HA LEU A 15 -2.207 -6.530 4.450 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -2.781 -9.075 2.983 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -2.154 -7.746 2.027 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.369 -9.227 2.752 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.105 -7.538 3.797 1.00 0.00 H new ATOM 0 HD12 LEU A 15 0.124 -6.839 2.487 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.322 -6.547 4.184 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.267 -9.419 5.116 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -1.185 -8.499 5.576 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.350 -10.093 4.804 1.00 0.00 H new ATOM 229 N GLN A 16 -5.044 -6.772 2.851 1.00 0.00 N ATOM 230 CA GLN A 16 -6.037 -6.058 2.062 1.00 0.00 C ATOM 231 C GLN A 16 -6.586 -4.863 2.823 1.00 0.00 C ATOM 232 O GLN A 16 -6.733 -3.789 2.261 1.00 0.00 O ATOM 233 CB GLN A 16 -7.174 -7.007 1.659 1.00 0.00 C ATOM 234 CG GLN A 16 -8.434 -6.293 1.210 1.00 0.00 C ATOM 235 CD GLN A 16 -9.374 -7.190 0.431 1.00 0.00 C ATOM 236 OE1 GLN A 16 -9.890 -8.176 0.963 1.00 0.00 O ATOM 237 NE2 GLN A 16 -9.597 -6.863 -0.832 1.00 0.00 N ATOM 0 H GLN A 16 -5.359 -7.680 3.193 1.00 0.00 H new ATOM 0 HA GLN A 16 -5.552 -5.685 1.160 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -6.827 -7.654 0.853 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -7.414 -7.652 2.504 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -8.955 -5.901 2.084 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -8.160 -5.438 0.592 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -9.149 -6.038 -1.232 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -10.217 -7.436 -1.405 1.00 0.00 H new ATOM 246 N GLY A 17 -6.878 -5.051 4.094 1.00 0.00 N ATOM 247 CA GLY A 17 -7.397 -3.963 4.906 1.00 0.00 C ATOM 248 C GLY A 17 -6.422 -2.801 4.985 1.00 0.00 C ATOM 249 O GLY A 17 -6.817 -1.633 5.069 1.00 0.00 O ATOM 0 H GLY A 17 -6.767 -5.938 4.586 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -8.342 -3.616 4.488 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -7.608 -4.329 5.911 1.00 0.00 H new ATOM 253 N GLN A 18 -5.136 -3.122 4.937 1.00 0.00 N ATOM 254 CA GLN A 18 -4.099 -2.103 4.994 1.00 0.00 C ATOM 255 C GLN A 18 -3.986 -1.360 3.672 1.00 0.00 C ATOM 256 O GLN A 18 -3.820 -0.145 3.646 1.00 0.00 O ATOM 257 CB GLN A 18 -2.750 -2.735 5.340 1.00 0.00 C ATOM 258 CG GLN A 18 -2.776 -3.588 6.597 1.00 0.00 C ATOM 259 CD GLN A 18 -1.455 -4.279 6.853 1.00 0.00 C ATOM 260 OE1 GLN A 18 -0.421 -3.628 7.001 1.00 0.00 O ATOM 261 NE2 GLN A 18 -1.478 -5.602 6.903 1.00 0.00 N ATOM 0 H GLN A 18 -4.788 -4.077 4.859 1.00 0.00 H new ATOM 0 HA GLN A 18 -4.377 -1.391 5.771 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -2.422 -3.350 4.502 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -2.010 -1.944 5.464 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -3.027 -2.961 7.453 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -3.563 -4.337 6.508 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -2.358 -6.102 6.775 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -0.616 -6.121 7.070 1.00 0.00 H new ATOM 270 N VAL A 19 -4.056 -2.083 2.573 1.00 0.00 N ATOM 271 CA VAL A 19 -3.937 -1.455 1.271 1.00 0.00 C ATOM 272 C VAL A 19 -5.201 -0.677 0.904 1.00 0.00 C ATOM 273 O VAL A 19 -5.143 0.294 0.151 1.00 0.00 O ATOM 274 CB VAL A 19 -3.601 -2.506 0.185 1.00 0.00 C ATOM 275 CG1 VAL A 19 -4.776 -3.427 -0.075 1.00 0.00 C ATOM 276 CG2 VAL A 19 -3.165 -1.860 -1.113 1.00 0.00 C ATOM 0 H VAL A 19 -4.193 -3.094 2.553 1.00 0.00 H new ATOM 0 HA VAL A 19 -3.116 -0.740 1.323 1.00 0.00 H new ATOM 0 HB VAL A 19 -2.769 -3.094 0.572 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -4.507 -4.153 -0.842 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -5.038 -3.951 0.844 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -5.630 -2.841 -0.414 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -2.939 -2.634 -1.847 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -3.966 -1.225 -1.490 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -2.275 -1.256 -0.938 1.00 0.00 H new ATOM 286 N GLN A 20 -6.341 -1.096 1.441 1.00 0.00 N ATOM 287 CA GLN A 20 -7.599 -0.422 1.159 1.00 0.00 C ATOM 288 C GLN A 20 -7.672 0.905 1.899 1.00 0.00 C ATOM 289 O GLN A 20 -8.148 1.894 1.350 1.00 0.00 O ATOM 290 CB GLN A 20 -8.809 -1.294 1.527 1.00 0.00 C ATOM 291 CG GLN A 20 -8.952 -1.573 3.011 1.00 0.00 C ATOM 292 CD GLN A 20 -10.156 -2.430 3.333 1.00 0.00 C ATOM 293 OE1 GLN A 20 -10.312 -3.524 2.790 1.00 0.00 O ATOM 294 NE2 GLN A 20 -11.007 -1.942 4.222 1.00 0.00 N ATOM 0 H GLN A 20 -6.419 -1.895 2.070 1.00 0.00 H new ATOM 0 HA GLN A 20 -7.633 -0.237 0.085 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -9.716 -0.804 1.173 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -8.732 -2.243 0.997 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -8.051 -2.070 3.371 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -9.031 -0.628 3.548 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -10.835 -1.030 4.645 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -11.834 -2.478 4.484 1.00 0.00 H new ATOM 303 N HIS A 21 -7.200 0.942 3.151 1.00 0.00 N ATOM 304 CA HIS A 21 -7.244 2.193 3.903 1.00 0.00 C ATOM 305 C HIS A 21 -6.084 3.091 3.514 1.00 0.00 C ATOM 306 O HIS A 21 -6.136 4.303 3.705 1.00 0.00 O ATOM 307 CB HIS A 21 -7.297 1.974 5.416 1.00 0.00 C ATOM 308 CG HIS A 21 -6.005 1.750 6.092 1.00 0.00 C ATOM 309 ND1 HIS A 21 -5.221 0.682 5.831 1.00 0.00 N ATOM 310 CD2 HIS A 21 -5.366 2.476 7.041 1.00 0.00 C ATOM 311 CE1 HIS A 21 -4.148 0.766 6.601 1.00 0.00 C ATOM 312 NE2 HIS A 21 -4.178 1.836 7.364 1.00 0.00 N ATOM 0 H HIS A 21 -6.797 0.147 3.648 1.00 0.00 H new ATOM 0 HA HIS A 21 -8.175 2.693 3.636 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -7.774 2.842 5.870 1.00 0.00 H new ATOM 0 HB3 HIS A 21 -7.940 1.116 5.615 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -5.722 3.399 7.474 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -3.345 0.043 6.602 1.00 0.00 H new ATOM 0 HE2 HIS A 21 -3.479 2.132 8.046 1.00 0.00 H new ATOM 320 N LEU A 22 -5.049 2.501 2.931 1.00 0.00 N ATOM 321 CA LEU A 22 -3.918 3.285 2.489 1.00 0.00 C ATOM 322 C LEU A 22 -4.240 3.940 1.165 1.00 0.00 C ATOM 323 O LEU A 22 -3.832 5.066 0.915 1.00 0.00 O ATOM 324 CB LEU A 22 -2.656 2.446 2.387 1.00 0.00 C ATOM 325 CG LEU A 22 -1.632 2.779 3.460 1.00 0.00 C ATOM 326 CD1 LEU A 22 -2.254 2.679 4.832 1.00 0.00 C ATOM 327 CD2 LEU A 22 -0.409 1.884 3.340 1.00 0.00 C ATOM 0 H LEU A 22 -4.974 1.499 2.758 1.00 0.00 H new ATOM 0 HA LEU A 22 -3.726 4.058 3.233 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -2.921 1.391 2.460 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.206 2.594 1.405 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.301 3.807 3.314 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.507 2.920 5.588 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -3.086 3.380 4.906 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -2.619 1.665 4.993 1.00 0.00 H new ATOM 0 HD21 LEU A 22 0.309 2.142 4.119 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.708 0.842 3.453 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.051 2.025 2.362 1.00 0.00 H new ATOM 339 N GLN A 23 -5.019 3.249 0.339 1.00 0.00 N ATOM 340 CA GLN A 23 -5.445 3.800 -0.938 1.00 0.00 C ATOM 341 C GLN A 23 -6.514 4.842 -0.630 1.00 0.00 C ATOM 342 O GLN A 23 -6.663 5.848 -1.326 1.00 0.00 O ATOM 343 CB GLN A 23 -5.997 2.690 -1.847 1.00 0.00 C ATOM 344 CG GLN A 23 -5.929 2.995 -3.339 1.00 0.00 C ATOM 345 CD GLN A 23 -6.923 4.053 -3.774 1.00 0.00 C ATOM 346 OE1 GLN A 23 -8.128 3.891 -3.587 1.00 0.00 O ATOM 347 NE2 GLN A 23 -6.430 5.131 -4.365 1.00 0.00 N ATOM 0 H GLN A 23 -5.366 2.310 0.532 1.00 0.00 H new ATOM 0 HA GLN A 23 -4.609 4.254 -1.470 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -5.444 1.771 -1.652 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -7.036 2.500 -1.576 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -4.921 3.326 -3.591 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -6.113 2.079 -3.900 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -5.423 5.223 -4.499 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -7.057 5.869 -4.686 1.00 0.00 H new ATOM 356 N ALA A 24 -7.225 4.581 0.464 1.00 0.00 N ATOM 357 CA ALA A 24 -8.266 5.462 0.966 1.00 0.00 C ATOM 358 C ALA A 24 -7.680 6.825 1.273 1.00 0.00 C ATOM 359 O ALA A 24 -8.036 7.823 0.651 1.00 0.00 O ATOM 360 CB ALA A 24 -8.866 4.860 2.228 1.00 0.00 C ATOM 0 H ALA A 24 -7.090 3.743 1.030 1.00 0.00 H new ATOM 0 HA ALA A 24 -9.045 5.574 0.212 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -9.648 5.517 2.609 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -9.293 3.884 1.998 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -8.088 4.747 2.983 1.00 0.00 H new ATOM 366 N ALA A 25 -6.750 6.841 2.224 1.00 0.00 N ATOM 367 CA ALA A 25 -6.075 8.062 2.617 1.00 0.00 C ATOM 368 C ALA A 25 -5.369 8.685 1.422 1.00 0.00 C ATOM 369 O ALA A 25 -5.423 9.895 1.214 1.00 0.00 O ATOM 370 CB ALA A 25 -5.075 7.770 3.728 1.00 0.00 C ATOM 0 H ALA A 25 -6.449 6.012 2.737 1.00 0.00 H new ATOM 0 HA ALA A 25 -6.817 8.769 2.988 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -4.572 8.693 4.017 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -5.599 7.357 4.590 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -4.337 7.051 3.373 1.00 0.00 H new ATOM 376 N PHE A 26 -4.711 7.833 0.645 1.00 0.00 N ATOM 377 CA PHE A 26 -3.969 8.250 -0.541 1.00 0.00 C ATOM 378 C PHE A 26 -4.826 9.057 -1.494 1.00 0.00 C ATOM 379 O PHE A 26 -4.314 9.917 -2.169 1.00 0.00 O ATOM 380 CB PHE A 26 -3.440 7.032 -1.294 1.00 0.00 C ATOM 381 CG PHE A 26 -2.041 7.166 -1.829 1.00 0.00 C ATOM 382 CD1 PHE A 26 -1.389 8.393 -1.856 1.00 0.00 C ATOM 383 CD2 PHE A 26 -1.372 6.046 -2.297 1.00 0.00 C ATOM 384 CE1 PHE A 26 -0.103 8.491 -2.342 1.00 0.00 C ATOM 385 CE2 PHE A 26 -0.085 6.140 -2.780 1.00 0.00 C ATOM 386 CZ PHE A 26 0.549 7.364 -2.804 1.00 0.00 C ATOM 0 H PHE A 26 -4.676 6.829 0.820 1.00 0.00 H new ATOM 0 HA PHE A 26 -3.146 8.873 -0.190 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -3.476 6.170 -0.628 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -4.111 6.820 -2.126 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -1.894 9.276 -1.493 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -1.867 5.086 -2.283 1.00 0.00 H new ATOM 0 HE1 PHE A 26 0.395 9.449 -2.362 1.00 0.00 H new ATOM 0 HE2 PHE A 26 0.425 5.258 -3.138 1.00 0.00 H new ATOM 0 HZ PHE A 26 1.557 7.442 -3.184 1.00 0.00 H new ATOM 396 N SER A 27 -6.124 8.770 -1.556 1.00 0.00 N ATOM 397 CA SER A 27 -7.022 9.493 -2.459 1.00 0.00 C ATOM 398 C SER A 27 -6.861 11.009 -2.296 1.00 0.00 C ATOM 399 O SER A 27 -6.965 11.762 -3.264 1.00 0.00 O ATOM 400 CB SER A 27 -8.475 9.073 -2.202 1.00 0.00 C ATOM 401 OG SER A 27 -9.374 9.717 -3.091 1.00 0.00 O ATOM 0 H SER A 27 -6.577 8.047 -0.997 1.00 0.00 H new ATOM 0 HA SER A 27 -6.758 9.238 -3.485 1.00 0.00 H new ATOM 0 HB2 SER A 27 -8.566 7.992 -2.312 1.00 0.00 H new ATOM 0 HB3 SER A 27 -8.746 9.312 -1.174 1.00 0.00 H new ATOM 0 HG SER A 27 -10.289 9.425 -2.899 1.00 0.00 H new ATOM 407 N GLN A 28 -6.582 11.437 -1.071 1.00 0.00 N ATOM 408 CA GLN A 28 -6.381 12.848 -0.770 1.00 0.00 C ATOM 409 C GLN A 28 -4.952 13.279 -1.097 1.00 0.00 C ATOM 410 O GLN A 28 -4.725 14.320 -1.703 1.00 0.00 O ATOM 411 CB GLN A 28 -6.651 13.111 0.714 1.00 0.00 C ATOM 412 CG GLN A 28 -7.883 12.399 1.246 1.00 0.00 C ATOM 413 CD GLN A 28 -8.172 12.714 2.700 1.00 0.00 C ATOM 414 OE1 GLN A 28 -7.428 13.650 3.266 1.00 0.00 O flip ATOM 415 NE2 GLN A 28 -9.068 12.127 3.302 1.00 0.00 N flip ATOM 0 H GLN A 28 -6.489 10.820 -0.264 1.00 0.00 H new ATOM 0 HA GLN A 28 -7.075 13.423 -1.383 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -5.783 12.798 1.293 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -6.767 14.184 0.869 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -8.746 12.679 0.642 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -7.750 11.323 1.133 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -9.618 11.411 2.827 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -9.262 12.355 4.277 1.00 0.00 H new ATOM 424 N TYR A 29 -3.994 12.475 -0.661 1.00 0.00 N ATOM 425 CA TYR A 29 -2.575 12.764 -0.863 1.00 0.00 C ATOM 426 C TYR A 29 -2.156 12.595 -2.323 1.00 0.00 C ATOM 427 O TYR A 29 -1.125 13.113 -2.752 1.00 0.00 O ATOM 428 CB TYR A 29 -1.762 11.860 0.045 1.00 0.00 C ATOM 429 CG TYR A 29 -2.293 11.902 1.450 1.00 0.00 C ATOM 430 CD1 TYR A 29 -2.372 13.099 2.153 1.00 0.00 C ATOM 431 CD2 TYR A 29 -2.770 10.759 2.056 1.00 0.00 C ATOM 432 CE1 TYR A 29 -2.904 13.141 3.410 1.00 0.00 C ATOM 433 CE2 TYR A 29 -3.313 10.792 3.315 1.00 0.00 C ATOM 434 CZ TYR A 29 -3.378 11.986 3.992 1.00 0.00 C ATOM 435 OH TYR A 29 -3.917 12.029 5.253 1.00 0.00 O ATOM 0 H TYR A 29 -4.173 11.606 -0.158 1.00 0.00 H new ATOM 0 HA TYR A 29 -2.390 13.808 -0.610 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -1.793 10.837 -0.330 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -0.718 12.172 0.036 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -2.007 14.008 1.699 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -2.715 9.818 1.528 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -2.953 14.077 3.946 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -3.686 9.887 3.771 1.00 0.00 H new ATOM 0 HH TYR A 29 -3.345 12.572 5.835 1.00 0.00 H new ATOM 445 N LYS A 30 -2.973 11.870 -3.068 1.00 0.00 N ATOM 446 CA LYS A 30 -2.744 11.602 -4.483 1.00 0.00 C ATOM 447 C LYS A 30 -3.013 12.871 -5.301 1.00 0.00 C ATOM 448 O LYS A 30 -2.427 13.079 -6.363 1.00 0.00 O ATOM 449 CB LYS A 30 -3.622 10.401 -4.922 1.00 0.00 C ATOM 450 CG LYS A 30 -3.428 9.916 -6.358 1.00 0.00 C ATOM 451 CD LYS A 30 -4.184 10.749 -7.378 1.00 0.00 C ATOM 452 CE LYS A 30 -3.953 10.227 -8.792 1.00 0.00 C ATOM 453 NZ LYS A 30 -4.611 11.068 -9.820 1.00 0.00 N ATOM 0 H LYS A 30 -3.826 11.444 -2.705 1.00 0.00 H new ATOM 0 HA LYS A 30 -1.704 11.328 -4.661 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -3.424 9.567 -4.249 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -4.669 10.675 -4.791 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -2.365 9.933 -6.600 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -3.755 8.879 -6.432 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -5.250 10.730 -7.150 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -3.862 11.788 -7.314 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -2.882 10.187 -8.991 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -4.330 9.207 -8.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -4.425 10.672 -10.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -5.637 11.087 -9.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -4.234 12.036 -9.770 1.00 0.00 H new ATOM 467 N LYS A 31 -3.856 13.753 -4.776 1.00 0.00 N ATOM 468 CA LYS A 31 -4.124 15.018 -5.449 1.00 0.00 C ATOM 469 C LYS A 31 -3.437 16.148 -4.692 1.00 0.00 C ATOM 470 O LYS A 31 -3.884 17.294 -4.695 1.00 0.00 O ATOM 471 CB LYS A 31 -5.626 15.272 -5.620 1.00 0.00 C ATOM 472 CG LYS A 31 -6.477 14.965 -4.405 1.00 0.00 C ATOM 473 CD LYS A 31 -6.457 16.099 -3.392 1.00 0.00 C ATOM 474 CE LYS A 31 -7.496 15.902 -2.306 1.00 0.00 C ATOM 475 NZ LYS A 31 -8.882 16.035 -2.823 1.00 0.00 N ATOM 0 H LYS A 31 -4.359 13.619 -3.899 1.00 0.00 H new ATOM 0 HA LYS A 31 -3.713 14.971 -6.457 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -5.772 16.318 -5.891 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -5.986 14.673 -6.456 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -7.504 14.779 -4.720 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -6.117 14.051 -3.933 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -5.467 16.165 -2.940 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -6.639 17.045 -3.902 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -7.370 14.916 -1.860 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -7.334 16.633 -1.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -9.553 16.011 -2.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -8.978 16.938 -3.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -9.087 15.249 -3.473 1.00 0.00 H new ATOM 489 N VAL A 32 -2.331 15.796 -4.052 1.00 0.00 N ATOM 490 CA VAL A 32 -1.537 16.743 -3.295 1.00 0.00 C ATOM 491 C VAL A 32 -0.398 17.278 -4.159 1.00 0.00 C ATOM 492 O VAL A 32 -0.060 18.465 -4.092 1.00 0.00 O ATOM 493 CB VAL A 32 -0.995 16.089 -2.000 1.00 0.00 C ATOM 494 CG1 VAL A 32 0.200 16.828 -1.427 1.00 0.00 C ATOM 495 CG2 VAL A 32 -2.093 16.004 -0.961 1.00 0.00 C ATOM 0 H VAL A 32 -1.962 14.845 -4.045 1.00 0.00 H new ATOM 0 HA VAL A 32 -2.170 17.581 -3.004 1.00 0.00 H new ATOM 0 HB VAL A 32 -0.657 15.088 -2.267 1.00 0.00 H new ATOM 0 HG11 VAL A 32 0.538 16.326 -0.521 1.00 0.00 H new ATOM 0 HG12 VAL A 32 1.007 16.837 -2.159 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -0.086 17.853 -1.189 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -1.701 15.543 -0.055 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -2.455 17.006 -0.731 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -2.915 15.402 -1.349 1.00 0.00 H new ATOM 505 N GLU A 33 0.178 16.424 -5.003 1.00 0.00 N ATOM 506 CA GLU A 33 1.246 16.874 -5.877 1.00 0.00 C ATOM 507 C GLU A 33 0.711 17.259 -7.236 1.00 0.00 C ATOM 508 O GLU A 33 0.418 16.425 -8.100 1.00 0.00 O ATOM 509 CB GLU A 33 2.334 15.851 -6.058 1.00 0.00 C ATOM 510 CG GLU A 33 3.515 16.396 -6.841 1.00 0.00 C ATOM 511 CD GLU A 33 4.315 15.324 -7.536 1.00 0.00 C ATOM 512 OE1 GLU A 33 3.715 14.520 -8.275 1.00 0.00 O ATOM 513 OE2 GLU A 33 5.548 15.321 -7.380 1.00 0.00 O ATOM 0 H GLU A 33 -0.073 15.440 -5.096 1.00 0.00 H new ATOM 0 HA GLU A 33 1.680 17.743 -5.383 1.00 0.00 H new ATOM 0 HB2 GLU A 33 2.675 15.511 -5.080 1.00 0.00 H new ATOM 0 HB3 GLU A 33 1.929 14.981 -6.575 1.00 0.00 H new ATOM 0 HG2 GLU A 33 3.153 17.108 -7.583 1.00 0.00 H new ATOM 0 HG3 GLU A 33 4.169 16.946 -6.164 1.00 0.00 H new ATOM 520 N LEU A 34 0.588 18.540 -7.381 1.00 0.00 N ATOM 521 CA LEU A 34 0.095 19.184 -8.591 1.00 0.00 C ATOM 522 C LEU A 34 0.451 20.658 -8.557 1.00 0.00 C ATOM 523 O LEU A 34 0.847 21.240 -9.568 1.00 0.00 O ATOM 524 CB LEU A 34 -1.419 18.994 -8.719 1.00 0.00 C ATOM 525 CG LEU A 34 -2.091 18.451 -7.463 1.00 0.00 C ATOM 526 CD1 LEU A 34 -2.185 19.501 -6.381 1.00 0.00 C ATOM 527 CD2 LEU A 34 -3.446 17.889 -7.766 1.00 0.00 C ATOM 0 H LEU A 34 0.832 19.202 -6.645 1.00 0.00 H new ATOM 0 HA LEU A 34 0.565 18.725 -9.461 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.873 19.951 -8.975 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.619 18.314 -9.547 1.00 0.00 H new ATOM 0 HG LEU A 34 -1.462 17.642 -7.092 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -2.670 19.076 -5.502 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -1.184 19.840 -6.115 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -2.769 20.346 -6.744 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -3.897 17.511 -6.848 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -4.079 18.671 -8.185 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -3.350 17.076 -8.485 1.00 0.00 H new ATOM 539 N PHE A 35 0.326 21.256 -7.372 1.00 0.00 N ATOM 540 CA PHE A 35 0.662 22.666 -7.193 1.00 0.00 C ATOM 541 C PHE A 35 2.172 22.876 -7.381 1.00 0.00 C ATOM 542 O PHE A 35 2.588 23.596 -8.288 1.00 0.00 O ATOM 543 CB PHE A 35 0.224 23.201 -5.817 1.00 0.00 C ATOM 544 CG PHE A 35 -1.202 22.923 -5.444 1.00 0.00 C ATOM 545 CD1 PHE A 35 -2.242 23.441 -6.191 1.00 0.00 C ATOM 546 CD2 PHE A 35 -1.498 22.161 -4.322 1.00 0.00 C ATOM 547 CE1 PHE A 35 -3.554 23.204 -5.831 1.00 0.00 C ATOM 548 CE2 PHE A 35 -2.806 21.916 -3.962 1.00 0.00 C ATOM 549 CZ PHE A 35 -3.838 22.441 -4.715 1.00 0.00 C ATOM 0 H PHE A 35 -0.003 20.788 -6.527 1.00 0.00 H new ATOM 0 HA PHE A 35 0.115 23.228 -7.950 1.00 0.00 H new ATOM 0 HB2 PHE A 35 0.872 22.769 -5.055 1.00 0.00 H new ATOM 0 HB3 PHE A 35 0.384 24.279 -5.797 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -2.027 24.037 -7.065 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -0.695 21.756 -3.725 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -4.359 23.615 -6.422 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -3.024 21.314 -3.092 1.00 0.00 H new ATOM 0 HZ PHE A 35 -4.864 22.256 -4.432 1.00 0.00 H new ATOM 559 N PRO A 36 3.020 22.253 -6.530 1.00 0.00 N ATOM 560 CA PRO A 36 4.475 22.380 -6.621 1.00 0.00 C ATOM 561 C PRO A 36 5.116 21.295 -7.484 1.00 0.00 C ATOM 562 O PRO A 36 4.429 20.434 -8.041 1.00 0.00 O ATOM 563 CB PRO A 36 4.889 22.193 -5.166 1.00 0.00 C ATOM 564 CG PRO A 36 3.942 21.155 -4.658 1.00 0.00 C ATOM 565 CD PRO A 36 2.641 21.374 -5.400 1.00 0.00 C ATOM 0 HA PRO A 36 4.784 23.318 -7.082 1.00 0.00 H new ATOM 0 HB2 PRO A 36 5.925 21.864 -5.084 1.00 0.00 H new ATOM 0 HB3 PRO A 36 4.804 23.122 -4.603 1.00 0.00 H new ATOM 0 HG2 PRO A 36 4.329 20.152 -4.839 1.00 0.00 H new ATOM 0 HG3 PRO A 36 3.798 21.252 -3.582 1.00 0.00 H new ATOM 0 HD2 PRO A 36 2.217 20.433 -5.750 1.00 0.00 H new ATOM 0 HD3 PRO A 36 1.891 21.843 -4.763 1.00 0.00 H new ATOM 573 N ASN A 37 6.441 21.326 -7.556 1.00 0.00 N ATOM 574 CA ASN A 37 7.194 20.338 -8.315 1.00 0.00 C ATOM 575 C ASN A 37 8.299 19.759 -7.437 1.00 0.00 C ATOM 576 O ASN A 37 9.288 20.433 -7.147 1.00 0.00 O ATOM 577 CB ASN A 37 7.802 20.958 -9.577 1.00 0.00 C ATOM 578 CG ASN A 37 8.473 19.925 -10.463 1.00 0.00 C ATOM 579 OD1 ASN A 37 9.774 20.065 -10.664 1.00 0.00 O flip ATOM 580 ND2 ASN A 37 7.825 19.003 -10.961 1.00 0.00 N flip ATOM 0 H ASN A 37 7.018 22.029 -7.095 1.00 0.00 H new ATOM 0 HA ASN A 37 6.513 19.544 -8.623 1.00 0.00 H new ATOM 0 HB2 ASN A 37 7.020 21.465 -10.142 1.00 0.00 H new ATOM 0 HB3 ASN A 37 8.531 21.716 -9.291 1.00 0.00 H new ATOM 0 HD21 ASN A 37 6.823 18.929 -10.783 1.00 0.00 H new ATOM 0 HD22 ASN A 37 8.290 18.314 -11.552 1.00 0.00 H new ATOM 587 N GLY A 38 8.118 18.524 -6.998 1.00 0.00 N ATOM 588 CA GLY A 38 9.107 17.896 -6.141 1.00 0.00 C ATOM 589 C GLY A 38 10.218 17.233 -6.923 1.00 0.00 C ATOM 590 O GLY A 38 9.975 16.614 -7.963 1.00 0.00 O ATOM 0 H GLY A 38 7.308 17.945 -7.217 1.00 0.00 H new ATOM 0 HA2 GLY A 38 9.534 18.646 -5.475 1.00 0.00 H new ATOM 0 HA3 GLY A 38 8.617 17.153 -5.512 1.00 0.00 H new ATOM 594 N GLY A 39 11.436 17.351 -6.424 1.00 0.00 N ATOM 595 CA GLY A 39 12.574 16.746 -7.087 1.00 0.00 C ATOM 596 C GLY A 39 13.418 17.755 -7.837 1.00 0.00 C ATOM 597 O GLY A 39 14.644 17.761 -7.711 1.00 0.00 O ATOM 0 H GLY A 39 11.660 17.857 -5.567 1.00 0.00 H new ATOM 0 HA2 GLY A 39 13.193 16.239 -6.347 1.00 0.00 H new ATOM 0 HA3 GLY A 39 12.221 15.985 -7.783 1.00 0.00 H new ATOM 601 N ILE A 40 12.768 18.600 -8.626 1.00 0.00 N ATOM 602 CA ILE A 40 13.463 19.610 -9.407 1.00 0.00 C ATOM 603 C ILE A 40 13.262 20.993 -8.793 1.00 0.00 C ATOM 604 O ILE A 40 14.245 21.577 -8.294 1.00 0.00 O ATOM 605 CB ILE A 40 12.963 19.621 -10.867 1.00 0.00 C ATOM 606 CG1 ILE A 40 12.944 18.200 -11.441 1.00 0.00 C ATOM 607 CG2 ILE A 40 13.840 20.524 -11.722 1.00 0.00 C ATOM 608 CD1 ILE A 40 12.449 18.129 -12.870 1.00 0.00 C ATOM 609 OXT ILE A 40 12.120 21.487 -8.816 1.00 0.00 O ATOM 0 H ILE A 40 11.755 18.604 -8.741 1.00 0.00 H new ATOM 0 HA ILE A 40 14.524 19.362 -9.400 1.00 0.00 H new ATOM 0 HB ILE A 40 11.945 20.012 -10.878 1.00 0.00 H new ATOM 0 HG12 ILE A 40 13.951 17.785 -11.393 1.00 0.00 H new ATOM 0 HG13 ILE A 40 12.310 17.573 -10.814 1.00 0.00 H new ATOM 0 HG21 ILE A 40 13.474 20.521 -12.749 1.00 0.00 H new ATOM 0 HG22 ILE A 40 13.808 21.540 -11.329 1.00 0.00 H new ATOM 0 HG23 ILE A 40 14.867 20.159 -11.702 1.00 0.00 H new ATOM 0 HD11 ILE A 40 12.463 17.093 -13.209 1.00 0.00 H new ATOM 0 HD12 ILE A 40 11.431 18.514 -12.922 1.00 0.00 H new ATOM 0 HD13 ILE A 40 13.096 18.729 -13.510 1.00 0.00 H new TER 621 ILE A 40 ATOM 622 N GLY B 41 1.318 -27.978 -5.366 1.00 0.00 N ATOM 623 CA GLY B 41 1.175 -28.863 -4.184 1.00 0.00 C ATOM 624 C GLY B 41 1.499 -28.148 -2.889 1.00 0.00 C ATOM 625 O GLY B 41 1.249 -26.949 -2.762 1.00 0.00 O ATOM 0 HA2 GLY B 41 0.155 -29.245 -4.140 1.00 0.00 H new ATOM 0 HA3 GLY B 41 1.834 -29.724 -4.296 1.00 0.00 H new ATOM 631 N LEU B 42 2.064 -28.884 -1.931 1.00 0.00 N ATOM 632 CA LEU B 42 2.438 -28.321 -0.629 1.00 0.00 C ATOM 633 C LEU B 42 3.439 -27.172 -0.793 1.00 0.00 C ATOM 634 O LEU B 42 3.167 -26.066 -0.338 1.00 0.00 O ATOM 635 CB LEU B 42 3.012 -29.401 0.305 1.00 0.00 C ATOM 636 CG LEU B 42 2.015 -30.451 0.824 1.00 0.00 C ATOM 637 CD1 LEU B 42 1.601 -31.410 -0.280 1.00 0.00 C ATOM 638 CD2 LEU B 42 2.621 -31.215 1.989 1.00 0.00 C ATOM 0 H LEU B 42 2.274 -29.877 -2.032 1.00 0.00 H new ATOM 0 HA LEU B 42 1.530 -27.926 -0.173 1.00 0.00 H new ATOM 0 HB2 LEU B 42 3.812 -29.920 -0.223 1.00 0.00 H new ATOM 0 HB3 LEU B 42 3.465 -28.906 1.164 1.00 0.00 H new ATOM 0 HG LEU B 42 1.121 -29.930 1.167 1.00 0.00 H new ATOM 0 HD11 LEU B 42 0.896 -32.140 0.118 1.00 0.00 H new ATOM 0 HD12 LEU B 42 1.128 -30.852 -1.088 1.00 0.00 H new ATOM 0 HD13 LEU B 42 2.481 -31.927 -0.662 1.00 0.00 H new ATOM 0 HD21 LEU B 42 1.907 -31.956 2.349 1.00 0.00 H new ATOM 0 HD22 LEU B 42 3.531 -31.717 1.661 1.00 0.00 H new ATOM 0 HD23 LEU B 42 2.860 -30.521 2.794 1.00 0.00 H new ATOM 650 N PRO B 43 4.616 -27.419 -1.422 1.00 0.00 N ATOM 651 CA PRO B 43 5.649 -26.406 -1.628 1.00 0.00 C ATOM 652 C PRO B 43 5.093 -25.060 -2.038 1.00 0.00 C ATOM 653 O PRO B 43 5.497 -24.022 -1.522 1.00 0.00 O ATOM 654 CB PRO B 43 6.447 -26.961 -2.795 1.00 0.00 C ATOM 655 CG PRO B 43 6.359 -28.426 -2.631 1.00 0.00 C ATOM 656 CD PRO B 43 5.057 -28.718 -1.944 1.00 0.00 C ATOM 0 HA PRO B 43 6.210 -26.233 -0.710 1.00 0.00 H new ATOM 0 HB2 PRO B 43 6.030 -26.642 -3.750 1.00 0.00 H new ATOM 0 HB3 PRO B 43 7.482 -26.619 -2.768 1.00 0.00 H new ATOM 0 HG2 PRO B 43 6.404 -28.925 -3.599 1.00 0.00 H new ATOM 0 HG3 PRO B 43 7.197 -28.798 -2.042 1.00 0.00 H new ATOM 0 HD2 PRO B 43 4.327 -29.135 -2.638 1.00 0.00 H new ATOM 0 HD3 PRO B 43 5.186 -29.445 -1.142 1.00 0.00 H new ATOM 664 N ASP B 44 4.178 -25.102 -3.000 1.00 0.00 N ATOM 665 CA ASP B 44 3.564 -23.905 -3.531 1.00 0.00 C ATOM 666 C ASP B 44 2.827 -23.141 -2.436 1.00 0.00 C ATOM 667 O ASP B 44 2.910 -21.918 -2.350 1.00 0.00 O ATOM 668 CB ASP B 44 2.577 -24.255 -4.651 1.00 0.00 C ATOM 669 CG ASP B 44 3.170 -25.137 -5.725 1.00 0.00 C ATOM 670 OD1 ASP B 44 3.522 -26.296 -5.421 1.00 0.00 O ATOM 671 OD2 ASP B 44 3.260 -24.683 -6.880 1.00 0.00 O ATOM 0 H ASP B 44 3.846 -25.966 -3.428 1.00 0.00 H new ATOM 0 HA ASP B 44 4.359 -23.277 -3.933 1.00 0.00 H new ATOM 0 HB2 ASP B 44 1.711 -24.756 -4.218 1.00 0.00 H new ATOM 0 HB3 ASP B 44 2.216 -23.333 -5.107 1.00 0.00 H new ATOM 676 N VAL B 45 2.109 -23.888 -1.603 1.00 0.00 N ATOM 677 CA VAL B 45 1.348 -23.320 -0.497 1.00 0.00 C ATOM 678 C VAL B 45 2.269 -22.569 0.464 1.00 0.00 C ATOM 679 O VAL B 45 2.017 -21.413 0.807 1.00 0.00 O ATOM 680 CB VAL B 45 0.592 -24.432 0.266 1.00 0.00 C ATOM 681 CG1 VAL B 45 -0.179 -23.881 1.454 1.00 0.00 C ATOM 682 CG2 VAL B 45 -0.346 -25.176 -0.667 1.00 0.00 C ATOM 0 H VAL B 45 2.039 -24.903 -1.676 1.00 0.00 H new ATOM 0 HA VAL B 45 0.625 -22.617 -0.911 1.00 0.00 H new ATOM 0 HB VAL B 45 1.339 -25.127 0.649 1.00 0.00 H new ATOM 0 HG11 VAL B 45 -0.696 -24.695 1.962 1.00 0.00 H new ATOM 0 HG12 VAL B 45 0.513 -23.402 2.147 1.00 0.00 H new ATOM 0 HG13 VAL B 45 -0.909 -23.149 1.107 1.00 0.00 H new ATOM 0 HG21 VAL B 45 -0.869 -25.955 -0.112 1.00 0.00 H new ATOM 0 HG22 VAL B 45 -1.072 -24.479 -1.085 1.00 0.00 H new ATOM 0 HG23 VAL B 45 0.228 -25.630 -1.475 1.00 0.00 H new ATOM 692 N ALA B 46 3.340 -23.230 0.891 1.00 0.00 N ATOM 693 CA ALA B 46 4.294 -22.617 1.810 1.00 0.00 C ATOM 694 C ALA B 46 5.046 -21.474 1.138 1.00 0.00 C ATOM 695 O ALA B 46 5.385 -20.480 1.778 1.00 0.00 O ATOM 696 CB ALA B 46 5.261 -23.653 2.348 1.00 0.00 C ATOM 0 H ALA B 46 3.569 -24.186 0.617 1.00 0.00 H new ATOM 0 HA ALA B 46 3.734 -22.203 2.649 1.00 0.00 H new ATOM 0 HB1 ALA B 46 5.963 -23.175 3.031 1.00 0.00 H new ATOM 0 HB2 ALA B 46 4.707 -24.426 2.880 1.00 0.00 H new ATOM 0 HB3 ALA B 46 5.809 -24.104 1.521 1.00 0.00 H new ATOM 702 N SER B 47 5.287 -21.606 -0.158 1.00 0.00 N ATOM 703 CA SER B 47 5.976 -20.567 -0.910 1.00 0.00 C ATOM 704 C SER B 47 5.074 -19.339 -1.016 1.00 0.00 C ATOM 705 O SER B 47 5.536 -18.216 -1.236 1.00 0.00 O ATOM 706 CB SER B 47 6.351 -21.083 -2.305 1.00 0.00 C ATOM 707 OG SER B 47 7.306 -20.240 -2.935 1.00 0.00 O ATOM 0 H SER B 47 5.017 -22.420 -0.710 1.00 0.00 H new ATOM 0 HA SER B 47 6.894 -20.291 -0.392 1.00 0.00 H new ATOM 0 HB2 SER B 47 6.753 -22.093 -2.224 1.00 0.00 H new ATOM 0 HB3 SER B 47 5.456 -21.145 -2.923 1.00 0.00 H new ATOM 0 HG SER B 47 7.972 -19.951 -2.277 1.00 0.00 H new ATOM 713 N LEU B 48 3.784 -19.553 -0.823 1.00 0.00 N ATOM 714 CA LEU B 48 2.833 -18.465 -0.868 1.00 0.00 C ATOM 715 C LEU B 48 2.915 -17.643 0.413 1.00 0.00 C ATOM 716 O LEU B 48 2.654 -16.448 0.398 1.00 0.00 O ATOM 717 CB LEU B 48 1.414 -19.001 -1.093 1.00 0.00 C ATOM 718 CG LEU B 48 0.306 -17.946 -1.112 1.00 0.00 C ATOM 719 CD1 LEU B 48 0.553 -16.917 -2.203 1.00 0.00 C ATOM 720 CD2 LEU B 48 -1.046 -18.609 -1.308 1.00 0.00 C ATOM 0 H LEU B 48 3.376 -20.468 -0.634 1.00 0.00 H new ATOM 0 HA LEU B 48 3.080 -17.814 -1.706 1.00 0.00 H new ATOM 0 HB2 LEU B 48 1.394 -19.540 -2.040 1.00 0.00 H new ATOM 0 HB3 LEU B 48 1.189 -19.724 -0.309 1.00 0.00 H new ATOM 0 HG LEU B 48 0.310 -17.429 -0.152 1.00 0.00 H new ATOM 0 HD11 LEU B 48 -0.249 -16.179 -2.195 1.00 0.00 H new ATOM 0 HD12 LEU B 48 1.506 -16.419 -2.025 1.00 0.00 H new ATOM 0 HD13 LEU B 48 0.579 -17.414 -3.173 1.00 0.00 H new ATOM 0 HD21 LEU B 48 -1.826 -17.848 -1.320 1.00 0.00 H new ATOM 0 HD22 LEU B 48 -1.052 -19.150 -2.254 1.00 0.00 H new ATOM 0 HD23 LEU B 48 -1.231 -19.306 -0.491 1.00 0.00 H new ATOM 732 N ARG B 49 3.308 -18.283 1.516 1.00 0.00 N ATOM 733 CA ARG B 49 3.449 -17.589 2.795 1.00 0.00 C ATOM 734 C ARG B 49 4.528 -16.524 2.673 1.00 0.00 C ATOM 735 O ARG B 49 4.351 -15.398 3.128 1.00 0.00 O ATOM 736 CB ARG B 49 3.822 -18.552 3.934 1.00 0.00 C ATOM 737 CG ARG B 49 3.174 -19.927 3.858 1.00 0.00 C ATOM 738 CD ARG B 49 1.662 -19.859 3.730 1.00 0.00 C ATOM 739 NE ARG B 49 1.029 -19.165 4.856 1.00 0.00 N ATOM 740 CZ ARG B 49 0.912 -19.676 6.085 1.00 0.00 C ATOM 741 NH1 ARG B 49 1.365 -20.892 6.352 1.00 0.00 N ATOM 742 NH2 ARG B 49 0.337 -18.964 7.041 1.00 0.00 N ATOM 0 H ARG B 49 3.533 -19.277 1.548 1.00 0.00 H new ATOM 0 HA ARG B 49 2.486 -17.138 3.036 1.00 0.00 H new ATOM 0 HB2 ARG B 49 4.905 -18.678 3.942 1.00 0.00 H new ATOM 0 HB3 ARG B 49 3.548 -18.091 4.883 1.00 0.00 H new ATOM 0 HG2 ARG B 49 3.582 -20.469 3.005 1.00 0.00 H new ATOM 0 HG3 ARG B 49 3.433 -20.496 4.751 1.00 0.00 H new ATOM 0 HD2 ARG B 49 1.403 -19.349 2.802 1.00 0.00 H new ATOM 0 HD3 ARG B 49 1.262 -20.870 3.661 1.00 0.00 H new ATOM 0 HE ARG B 49 0.654 -18.231 4.690 1.00 0.00 H new ATOM 0 HH11 ARG B 49 1.807 -21.445 5.617 1.00 0.00 H new ATOM 0 HH12 ARG B 49 1.272 -21.276 7.293 1.00 0.00 H new ATOM 0 HH21 ARG B 49 -0.015 -18.028 6.838 1.00 0.00 H new ATOM 0 HH22 ARG B 49 0.246 -19.351 7.980 1.00 0.00 H new ATOM 756 N GLN B 50 5.644 -16.894 2.033 1.00 0.00 N ATOM 757 CA GLN B 50 6.757 -15.970 1.821 1.00 0.00 C ATOM 758 C GLN B 50 6.359 -14.862 0.851 1.00 0.00 C ATOM 759 O GLN B 50 6.750 -13.704 1.025 1.00 0.00 O ATOM 760 CB GLN B 50 8.002 -16.708 1.307 1.00 0.00 C ATOM 761 CG GLN B 50 7.717 -18.041 0.637 1.00 0.00 C ATOM 762 CD GLN B 50 8.935 -18.620 -0.062 1.00 0.00 C ATOM 763 OE1 GLN B 50 8.873 -19.706 -0.638 1.00 0.00 O ATOM 764 NE2 GLN B 50 10.052 -17.904 -0.015 1.00 0.00 N ATOM 0 H GLN B 50 5.797 -17.828 1.654 1.00 0.00 H new ATOM 0 HA GLN B 50 7.003 -15.520 2.783 1.00 0.00 H new ATOM 0 HB2 GLN B 50 8.523 -16.064 0.598 1.00 0.00 H new ATOM 0 HB3 GLN B 50 8.680 -16.875 2.144 1.00 0.00 H new ATOM 0 HG2 GLN B 50 7.362 -18.750 1.385 1.00 0.00 H new ATOM 0 HG3 GLN B 50 6.914 -17.914 -0.089 1.00 0.00 H new ATOM 0 HE21 GLN B 50 10.063 -17.008 0.472 1.00 0.00 H new ATOM 0 HE22 GLN B 50 10.899 -18.250 -0.466 1.00 0.00 H new ATOM 773 N GLN B 51 5.554 -15.209 -0.157 1.00 0.00 N ATOM 774 CA GLN B 51 5.075 -14.221 -1.125 1.00 0.00 C ATOM 775 C GLN B 51 4.208 -13.191 -0.408 1.00 0.00 C ATOM 776 O GLN B 51 4.195 -12.011 -0.751 1.00 0.00 O ATOM 777 CB GLN B 51 4.266 -14.888 -2.242 1.00 0.00 C ATOM 778 CG GLN B 51 5.076 -15.833 -3.113 1.00 0.00 C ATOM 779 CD GLN B 51 4.232 -16.522 -4.167 1.00 0.00 C ATOM 780 OE1 GLN B 51 3.297 -17.256 -3.851 1.00 0.00 O ATOM 781 NE2 GLN B 51 4.549 -16.271 -5.428 1.00 0.00 N ATOM 0 H GLN B 51 5.223 -16.159 -0.323 1.00 0.00 H new ATOM 0 HA GLN B 51 5.939 -13.733 -1.577 1.00 0.00 H new ATOM 0 HB2 GLN B 51 3.438 -15.440 -1.797 1.00 0.00 H new ATOM 0 HB3 GLN B 51 3.830 -14.113 -2.873 1.00 0.00 H new ATOM 0 HG2 GLN B 51 5.876 -15.276 -3.601 1.00 0.00 H new ATOM 0 HG3 GLN B 51 5.550 -16.586 -2.483 1.00 0.00 H new ATOM 0 HE21 GLN B 51 5.333 -15.655 -5.644 1.00 0.00 H new ATOM 0 HE22 GLN B 51 4.009 -16.693 -6.183 1.00 0.00 H new ATOM 790 N VAL B 52 3.497 -13.657 0.609 1.00 0.00 N ATOM 791 CA VAL B 52 2.636 -12.800 1.407 1.00 0.00 C ATOM 792 C VAL B 52 3.478 -11.904 2.309 1.00 0.00 C ATOM 793 O VAL B 52 3.131 -10.747 2.533 1.00 0.00 O ATOM 794 CB VAL B 52 1.646 -13.654 2.242 1.00 0.00 C ATOM 795 CG1 VAL B 52 0.875 -12.818 3.245 1.00 0.00 C ATOM 796 CG2 VAL B 52 0.680 -14.396 1.332 1.00 0.00 C ATOM 0 H VAL B 52 3.501 -14.634 0.902 1.00 0.00 H new ATOM 0 HA VAL B 52 2.054 -12.165 0.739 1.00 0.00 H new ATOM 0 HB VAL B 52 2.241 -14.376 2.801 1.00 0.00 H new ATOM 0 HG11 VAL B 52 0.195 -13.459 3.806 1.00 0.00 H new ATOM 0 HG12 VAL B 52 1.573 -12.339 3.932 1.00 0.00 H new ATOM 0 HG13 VAL B 52 0.303 -12.054 2.719 1.00 0.00 H new ATOM 0 HG21 VAL B 52 -0.006 -14.989 1.936 1.00 0.00 H new ATOM 0 HG22 VAL B 52 0.113 -13.678 0.740 1.00 0.00 H new ATOM 0 HG23 VAL B 52 1.239 -15.054 0.667 1.00 0.00 H new ATOM 806 N GLU B 53 4.605 -12.427 2.789 1.00 0.00 N ATOM 807 CA GLU B 53 5.506 -11.643 3.627 1.00 0.00 C ATOM 808 C GLU B 53 6.103 -10.513 2.801 1.00 0.00 C ATOM 809 O GLU B 53 6.479 -9.465 3.323 1.00 0.00 O ATOM 810 CB GLU B 53 6.620 -12.520 4.200 1.00 0.00 C ATOM 811 CG GLU B 53 6.123 -13.620 5.123 1.00 0.00 C ATOM 812 CD GLU B 53 7.248 -14.452 5.689 1.00 0.00 C ATOM 813 OE1 GLU B 53 8.414 -14.201 5.329 1.00 0.00 O ATOM 814 OE2 GLU B 53 6.970 -15.356 6.497 1.00 0.00 O ATOM 0 H GLU B 53 4.913 -13.383 2.613 1.00 0.00 H new ATOM 0 HA GLU B 53 4.940 -11.229 4.462 1.00 0.00 H new ATOM 0 HB2 GLU B 53 7.173 -12.972 3.377 1.00 0.00 H new ATOM 0 HB3 GLU B 53 7.321 -11.889 4.747 1.00 0.00 H new ATOM 0 HG2 GLU B 53 5.557 -13.175 5.942 1.00 0.00 H new ATOM 0 HG3 GLU B 53 5.437 -14.267 4.576 1.00 0.00 H new ATOM 821 N ALA B 54 6.159 -10.743 1.497 1.00 0.00 N ATOM 822 CA ALA B 54 6.667 -9.767 0.546 1.00 0.00 C ATOM 823 C ALA B 54 5.697 -8.611 0.435 1.00 0.00 C ATOM 824 O ALA B 54 6.062 -7.447 0.596 1.00 0.00 O ATOM 825 CB ALA B 54 6.818 -10.422 -0.806 1.00 0.00 C ATOM 0 H ALA B 54 5.852 -11.616 1.068 1.00 0.00 H new ATOM 0 HA ALA B 54 7.634 -9.397 0.888 1.00 0.00 H new ATOM 0 HB1 ALA B 54 7.199 -9.694 -1.522 1.00 0.00 H new ATOM 0 HB2 ALA B 54 7.516 -11.256 -0.730 1.00 0.00 H new ATOM 0 HB3 ALA B 54 5.849 -10.790 -1.143 1.00 0.00 H new ATOM 831 N LEU B 55 4.446 -8.967 0.168 1.00 0.00 N ATOM 832 CA LEU B 55 3.362 -8.000 0.042 1.00 0.00 C ATOM 833 C LEU B 55 3.243 -7.172 1.315 1.00 0.00 C ATOM 834 O LEU B 55 2.929 -5.984 1.279 1.00 0.00 O ATOM 835 CB LEU B 55 2.041 -8.736 -0.229 1.00 0.00 C ATOM 836 CG LEU B 55 1.666 -8.902 -1.703 1.00 0.00 C ATOM 837 CD1 LEU B 55 1.520 -7.545 -2.362 1.00 0.00 C ATOM 838 CD2 LEU B 55 2.697 -9.743 -2.441 1.00 0.00 C ATOM 0 H LEU B 55 4.154 -9.935 0.033 1.00 0.00 H new ATOM 0 HA LEU B 55 3.579 -7.331 -0.791 1.00 0.00 H new ATOM 0 HB2 LEU B 55 2.097 -9.725 0.227 1.00 0.00 H new ATOM 0 HB3 LEU B 55 1.237 -8.198 0.273 1.00 0.00 H new ATOM 0 HG LEU B 55 0.710 -9.424 -1.753 1.00 0.00 H new ATOM 0 HD11 LEU B 55 1.253 -7.677 -3.411 1.00 0.00 H new ATOM 0 HD12 LEU B 55 0.738 -6.977 -1.857 1.00 0.00 H new ATOM 0 HD13 LEU B 55 2.464 -7.004 -2.293 1.00 0.00 H new ATOM 0 HD21 LEU B 55 2.404 -9.844 -3.486 1.00 0.00 H new ATOM 0 HD22 LEU B 55 3.671 -9.258 -2.383 1.00 0.00 H new ATOM 0 HD23 LEU B 55 2.755 -10.731 -1.984 1.00 0.00 H new ATOM 850 N GLN B 56 3.512 -7.823 2.436 1.00 0.00 N ATOM 851 CA GLN B 56 3.452 -7.179 3.741 1.00 0.00 C ATOM 852 C GLN B 56 4.604 -6.204 3.927 1.00 0.00 C ATOM 853 O GLN B 56 4.410 -5.103 4.417 1.00 0.00 O ATOM 854 CB GLN B 56 3.454 -8.240 4.844 1.00 0.00 C ATOM 855 CG GLN B 56 3.818 -7.698 6.211 1.00 0.00 C ATOM 856 CD GLN B 56 3.422 -8.629 7.342 1.00 0.00 C ATOM 857 OE1 GLN B 56 3.924 -9.749 7.449 1.00 0.00 O ATOM 858 NE2 GLN B 56 2.505 -8.173 8.186 1.00 0.00 N ATOM 0 H GLN B 56 3.777 -8.807 2.468 1.00 0.00 H new ATOM 0 HA GLN B 56 2.526 -6.607 3.802 1.00 0.00 H new ATOM 0 HB2 GLN B 56 2.467 -8.699 4.896 1.00 0.00 H new ATOM 0 HB3 GLN B 56 4.158 -9.028 4.576 1.00 0.00 H new ATOM 0 HG2 GLN B 56 4.893 -7.522 6.252 1.00 0.00 H new ATOM 0 HG3 GLN B 56 3.332 -6.733 6.355 1.00 0.00 H new ATOM 0 HE21 GLN B 56 2.116 -7.239 8.060 1.00 0.00 H new ATOM 0 HE22 GLN B 56 2.190 -8.757 8.961 1.00 0.00 H new ATOM 867 N GLY B 57 5.794 -6.607 3.527 1.00 0.00 N ATOM 868 CA GLY B 57 6.948 -5.735 3.650 1.00 0.00 C ATOM 869 C GLY B 57 6.768 -4.456 2.856 1.00 0.00 C ATOM 870 O GLY B 57 7.247 -3.385 3.245 1.00 0.00 O ATOM 0 H GLY B 57 5.987 -7.521 3.119 1.00 0.00 H new ATOM 0 HA2 GLY B 57 7.111 -5.492 4.700 1.00 0.00 H new ATOM 0 HA3 GLY B 57 7.839 -6.258 3.302 1.00 0.00 H new ATOM 874 N GLN B 58 6.058 -4.558 1.745 1.00 0.00 N ATOM 875 CA GLN B 58 5.813 -3.401 0.903 1.00 0.00 C ATOM 876 C GLN B 58 4.774 -2.478 1.517 1.00 0.00 C ATOM 877 O GLN B 58 4.914 -1.259 1.478 1.00 0.00 O ATOM 878 CB GLN B 58 5.347 -3.839 -0.486 1.00 0.00 C ATOM 879 CG GLN B 58 6.273 -4.834 -1.164 1.00 0.00 C ATOM 880 CD GLN B 58 5.725 -5.323 -2.487 1.00 0.00 C ATOM 881 OE1 GLN B 58 5.494 -4.538 -3.408 1.00 0.00 O ATOM 882 NE2 GLN B 58 5.510 -6.625 -2.590 1.00 0.00 N ATOM 0 H GLN B 58 5.643 -5.426 1.407 1.00 0.00 H new ATOM 0 HA GLN B 58 6.753 -2.856 0.816 1.00 0.00 H new ATOM 0 HB2 GLN B 58 4.354 -4.281 -0.402 1.00 0.00 H new ATOM 0 HB3 GLN B 58 5.251 -2.958 -1.120 1.00 0.00 H new ATOM 0 HG2 GLN B 58 7.245 -4.369 -1.326 1.00 0.00 H new ATOM 0 HG3 GLN B 58 6.433 -5.686 -0.503 1.00 0.00 H new ATOM 0 HE21 GLN B 58 5.715 -7.240 -1.802 1.00 0.00 H new ATOM 0 HE22 GLN B 58 5.139 -7.014 -3.457 1.00 0.00 H new ATOM 891 N VAL B 59 3.725 -3.046 2.073 1.00 0.00 N ATOM 892 CA VAL B 59 2.677 -2.238 2.663 1.00 0.00 C ATOM 893 C VAL B 59 3.117 -1.632 3.996 1.00 0.00 C ATOM 894 O VAL B 59 2.629 -0.573 4.395 1.00 0.00 O ATOM 895 CB VAL B 59 1.384 -3.070 2.832 1.00 0.00 C ATOM 896 CG1 VAL B 59 1.539 -4.118 3.917 1.00 0.00 C ATOM 897 CG2 VAL B 59 0.192 -2.194 3.146 1.00 0.00 C ATOM 0 H VAL B 59 3.575 -4.053 2.129 1.00 0.00 H new ATOM 0 HA VAL B 59 2.470 -1.411 1.984 1.00 0.00 H new ATOM 0 HB VAL B 59 1.208 -3.569 1.879 1.00 0.00 H new ATOM 0 HG11 VAL B 59 0.613 -4.685 4.010 1.00 0.00 H new ATOM 0 HG12 VAL B 59 2.354 -4.794 3.656 1.00 0.00 H new ATOM 0 HG13 VAL B 59 1.762 -3.629 4.865 1.00 0.00 H new ATOM 0 HG21 VAL B 59 -0.697 -2.815 3.257 1.00 0.00 H new ATOM 0 HG22 VAL B 59 0.374 -1.651 4.073 1.00 0.00 H new ATOM 0 HG23 VAL B 59 0.039 -1.484 2.334 1.00 0.00 H new ATOM 907 N GLN B 60 4.046 -2.290 4.677 1.00 0.00 N ATOM 908 CA GLN B 60 4.536 -1.794 5.955 1.00 0.00 C ATOM 909 C GLN B 60 5.457 -0.607 5.748 1.00 0.00 C ATOM 910 O GLN B 60 5.387 0.362 6.497 1.00 0.00 O ATOM 911 CB GLN B 60 5.250 -2.889 6.760 1.00 0.00 C ATOM 912 CG GLN B 60 6.524 -3.406 6.117 1.00 0.00 C ATOM 913 CD GLN B 60 7.204 -4.473 6.949 1.00 0.00 C ATOM 914 OE1 GLN B 60 6.588 -5.469 7.321 1.00 0.00 O ATOM 915 NE2 GLN B 60 8.483 -4.270 7.235 1.00 0.00 N ATOM 0 H GLN B 60 4.473 -3.163 4.368 1.00 0.00 H new ATOM 0 HA GLN B 60 3.669 -1.474 6.533 1.00 0.00 H new ATOM 0 HB2 GLN B 60 5.489 -2.499 7.750 1.00 0.00 H new ATOM 0 HB3 GLN B 60 4.564 -3.724 6.903 1.00 0.00 H new ATOM 0 HG2 GLN B 60 6.291 -3.812 5.132 1.00 0.00 H new ATOM 0 HG3 GLN B 60 7.213 -2.575 5.965 1.00 0.00 H new ATOM 0 HE21 GLN B 60 8.952 -3.427 6.904 1.00 0.00 H new ATOM 0 HE22 GLN B 60 8.998 -4.957 7.786 1.00 0.00 H new ATOM 924 N HIS B 61 6.322 -0.663 4.730 1.00 0.00 N ATOM 925 CA HIS B 61 7.221 0.453 4.490 1.00 0.00 C ATOM 926 C HIS B 61 6.505 1.568 3.750 1.00 0.00 C ATOM 927 O HIS B 61 6.928 2.719 3.795 1.00 0.00 O ATOM 928 CB HIS B 61 8.500 0.029 3.766 1.00 0.00 C ATOM 929 CG HIS B 61 8.415 -0.074 2.295 1.00 0.00 C ATOM 930 ND1 HIS B 61 7.617 -0.968 1.663 1.00 0.00 N ATOM 931 CD2 HIS B 61 9.064 0.617 1.327 1.00 0.00 C ATOM 932 CE1 HIS B 61 7.783 -0.810 0.360 1.00 0.00 C ATOM 933 NE2 HIS B 61 8.659 0.142 0.091 1.00 0.00 N ATOM 0 H HIS B 61 6.413 -1.445 4.082 1.00 0.00 H new ATOM 0 HA HIS B 61 7.532 0.833 5.463 1.00 0.00 H new ATOM 0 HB2 HIS B 61 9.286 0.742 4.014 1.00 0.00 H new ATOM 0 HB3 HIS B 61 8.811 -0.939 4.159 1.00 0.00 H new ATOM 0 HD2 HIS B 61 9.780 1.409 1.492 1.00 0.00 H new ATOM 0 HE1 HIS B 61 7.266 -1.388 -0.392 1.00 0.00 H new ATOM 0 HE2 HIS B 61 8.969 0.458 -0.828 1.00 0.00 H new ATOM 941 N LEU B 62 5.399 1.232 3.101 1.00 0.00 N ATOM 942 CA LEU B 62 4.630 2.239 2.402 1.00 0.00 C ATOM 943 C LEU B 62 3.780 3.005 3.389 1.00 0.00 C ATOM 944 O LEU B 62 3.592 4.205 3.249 1.00 0.00 O ATOM 945 CB LEU B 62 3.778 1.630 1.305 1.00 0.00 C ATOM 946 CG LEU B 62 4.270 1.984 -0.089 1.00 0.00 C ATOM 947 CD1 LEU B 62 5.717 1.593 -0.254 1.00 0.00 C ATOM 948 CD2 LEU B 62 3.409 1.327 -1.152 1.00 0.00 C ATOM 0 H LEU B 62 5.023 0.285 3.046 1.00 0.00 H new ATOM 0 HA LEU B 62 5.323 2.929 1.920 1.00 0.00 H new ATOM 0 HB2 LEU B 62 3.769 0.546 1.418 1.00 0.00 H new ATOM 0 HB3 LEU B 62 2.749 1.971 1.419 1.00 0.00 H new ATOM 0 HG LEU B 62 4.190 3.064 -0.214 1.00 0.00 H new ATOM 0 HD11 LEU B 62 6.052 1.854 -1.258 1.00 0.00 H new ATOM 0 HD12 LEU B 62 6.323 2.123 0.480 1.00 0.00 H new ATOM 0 HD13 LEU B 62 5.823 0.519 -0.104 1.00 0.00 H new ATOM 0 HD21 LEU B 62 3.782 1.596 -2.140 1.00 0.00 H new ATOM 0 HD22 LEU B 62 3.447 0.244 -1.033 1.00 0.00 H new ATOM 0 HD23 LEU B 62 2.379 1.668 -1.048 1.00 0.00 H new ATOM 960 N GLN B 63 3.313 2.312 4.419 1.00 0.00 N ATOM 961 CA GLN B 63 2.534 2.952 5.463 1.00 0.00 C ATOM 962 C GLN B 63 3.511 3.760 6.309 1.00 0.00 C ATOM 963 O GLN B 63 3.179 4.812 6.848 1.00 0.00 O ATOM 964 CB GLN B 63 1.807 1.891 6.311 1.00 0.00 C ATOM 965 CG GLN B 63 0.564 2.391 7.041 1.00 0.00 C ATOM 966 CD GLN B 63 0.882 3.309 8.202 1.00 0.00 C ATOM 967 OE1 GLN B 63 1.605 2.931 9.122 1.00 0.00 O ATOM 968 NE2 GLN B 63 0.337 4.514 8.168 1.00 0.00 N ATOM 0 H GLN B 63 3.461 1.311 4.551 1.00 0.00 H new ATOM 0 HA GLN B 63 1.767 3.603 5.044 1.00 0.00 H new ATOM 0 HB2 GLN B 63 1.521 1.063 5.663 1.00 0.00 H new ATOM 0 HB3 GLN B 63 2.507 1.493 7.046 1.00 0.00 H new ATOM 0 HG2 GLN B 63 -0.077 2.918 6.334 1.00 0.00 H new ATOM 0 HG3 GLN B 63 -0.003 1.535 7.408 1.00 0.00 H new ATOM 0 HE21 GLN B 63 -0.256 4.783 7.383 1.00 0.00 H new ATOM 0 HE22 GLN B 63 0.510 5.174 8.926 1.00 0.00 H new ATOM 977 N ALA B 64 4.735 3.242 6.366 1.00 0.00 N ATOM 978 CA ALA B 64 5.833 3.868 7.083 1.00 0.00 C ATOM 979 C ALA B 64 6.082 5.255 6.528 1.00 0.00 C ATOM 980 O ALA B 64 5.909 6.259 7.217 1.00 0.00 O ATOM 981 CB ALA B 64 7.082 3.016 6.927 1.00 0.00 C ATOM 0 H ALA B 64 4.991 2.367 5.910 1.00 0.00 H new ATOM 0 HA ALA B 64 5.580 3.951 8.140 1.00 0.00 H new ATOM 0 HB1 ALA B 64 7.909 3.481 7.463 1.00 0.00 H new ATOM 0 HB2 ALA B 64 6.898 2.022 7.335 1.00 0.00 H new ATOM 0 HB3 ALA B 64 7.336 2.933 5.870 1.00 0.00 H new ATOM 987 N ALA B 65 6.466 5.288 5.257 1.00 0.00 N ATOM 988 CA ALA B 65 6.721 6.537 4.564 1.00 0.00 C ATOM 989 C ALA B 65 5.484 7.426 4.608 1.00 0.00 C ATOM 990 O ALA B 65 5.574 8.629 4.850 1.00 0.00 O ATOM 991 CB ALA B 65 7.123 6.267 3.124 1.00 0.00 C ATOM 0 H ALA B 65 6.607 4.455 4.685 1.00 0.00 H new ATOM 0 HA ALA B 65 7.540 7.053 5.064 1.00 0.00 H new ATOM 0 HB1 ALA B 65 7.311 7.213 2.615 1.00 0.00 H new ATOM 0 HB2 ALA B 65 8.028 5.659 3.107 1.00 0.00 H new ATOM 0 HB3 ALA B 65 6.319 5.735 2.615 1.00 0.00 H new ATOM 997 N PHE B 66 4.327 6.806 4.366 1.00 0.00 N ATOM 998 CA PHE B 66 3.035 7.491 4.356 1.00 0.00 C ATOM 999 C PHE B 66 2.794 8.268 5.635 1.00 0.00 C ATOM 1000 O PHE B 66 2.143 9.286 5.598 1.00 0.00 O ATOM 1001 CB PHE B 66 1.901 6.484 4.184 1.00 0.00 C ATOM 1002 CG PHE B 66 0.805 6.914 3.249 1.00 0.00 C ATOM 1003 CD1 PHE B 66 0.714 8.225 2.789 1.00 0.00 C ATOM 1004 CD2 PHE B 66 -0.137 5.994 2.822 1.00 0.00 C ATOM 1005 CE1 PHE B 66 -0.295 8.596 1.927 1.00 0.00 C ATOM 1006 CE2 PHE B 66 -1.147 6.363 1.959 1.00 0.00 C ATOM 1007 CZ PHE B 66 -1.223 7.667 1.511 1.00 0.00 C ATOM 0 H PHE B 66 4.261 5.807 4.170 1.00 0.00 H new ATOM 0 HA PHE B 66 3.056 8.189 3.519 1.00 0.00 H new ATOM 0 HB2 PHE B 66 2.321 5.546 3.821 1.00 0.00 H new ATOM 0 HB3 PHE B 66 1.465 6.281 5.162 1.00 0.00 H new ATOM 0 HD1 PHE B 66 1.440 8.957 3.110 1.00 0.00 H new ATOM 0 HD2 PHE B 66 -0.080 4.973 3.170 1.00 0.00 H new ATOM 0 HE1 PHE B 66 -0.358 9.616 1.577 1.00 0.00 H new ATOM 0 HE2 PHE B 66 -1.876 5.635 1.635 1.00 0.00 H new ATOM 0 HZ PHE B 66 -2.012 7.959 0.833 1.00 0.00 H new ATOM 1017 N SER B 67 3.302 7.780 6.759 1.00 0.00 N ATOM 1018 CA SER B 67 3.107 8.458 8.042 1.00 0.00 C ATOM 1019 C SER B 67 3.474 9.943 7.940 1.00 0.00 C ATOM 1020 O SER B 67 2.865 10.790 8.593 1.00 0.00 O ATOM 1021 CB SER B 67 3.939 7.767 9.131 1.00 0.00 C ATOM 1022 OG SER B 67 3.734 8.356 10.407 1.00 0.00 O ATOM 0 H SER B 67 3.850 6.922 6.813 1.00 0.00 H new ATOM 0 HA SER B 67 2.053 8.394 8.311 1.00 0.00 H new ATOM 0 HB2 SER B 67 3.676 6.710 9.173 1.00 0.00 H new ATOM 0 HB3 SER B 67 4.996 7.823 8.871 1.00 0.00 H new ATOM 0 HG SER B 67 4.279 7.889 11.074 1.00 0.00 H new ATOM 1028 N GLN B 68 4.454 10.247 7.098 1.00 0.00 N ATOM 1029 CA GLN B 68 4.894 11.622 6.886 1.00 0.00 C ATOM 1030 C GLN B 68 4.016 12.321 5.850 1.00 0.00 C ATOM 1031 O GLN B 68 3.589 13.453 6.041 1.00 0.00 O ATOM 1032 CB GLN B 68 6.348 11.638 6.409 1.00 0.00 C ATOM 1033 CG GLN B 68 7.237 10.650 7.147 1.00 0.00 C ATOM 1034 CD GLN B 68 8.686 10.709 6.708 1.00 0.00 C ATOM 1035 OE1 GLN B 68 9.014 11.678 5.869 1.00 0.00 O flip ATOM 1036 NE2 GLN B 68 9.509 9.898 7.137 1.00 0.00 N flip ATOM 0 H GLN B 68 4.963 9.555 6.547 1.00 0.00 H new ATOM 0 HA GLN B 68 4.811 12.154 7.834 1.00 0.00 H new ATOM 0 HB2 GLN B 68 6.375 11.413 5.343 1.00 0.00 H new ATOM 0 HB3 GLN B 68 6.752 12.643 6.534 1.00 0.00 H new ATOM 0 HG2 GLN B 68 7.180 10.849 8.217 1.00 0.00 H new ATOM 0 HG3 GLN B 68 6.857 9.641 6.989 1.00 0.00 H new ATOM 0 HE21 GLN B 68 9.214 9.166 7.783 1.00 0.00 H new ATOM 0 HE22 GLN B 68 10.485 9.959 6.846 1.00 0.00 H new ATOM 1045 N TYR B 69 3.772 11.636 4.744 1.00 0.00 N ATOM 1046 CA TYR B 69 2.967 12.173 3.642 1.00 0.00 C ATOM 1047 C TYR B 69 1.487 12.268 4.007 1.00 0.00 C ATOM 1048 O TYR B 69 0.720 12.993 3.376 1.00 0.00 O ATOM 1049 CB TYR B 69 3.169 11.285 2.427 1.00 0.00 C ATOM 1050 CG TYR B 69 4.633 11.052 2.182 1.00 0.00 C ATOM 1051 CD1 TYR B 69 5.498 12.121 2.005 1.00 0.00 C ATOM 1052 CD2 TYR B 69 5.160 9.775 2.189 1.00 0.00 C ATOM 1053 CE1 TYR B 69 6.841 11.919 1.831 1.00 0.00 C ATOM 1054 CE2 TYR B 69 6.508 9.562 2.023 1.00 0.00 C ATOM 1055 CZ TYR B 69 7.348 10.635 1.843 1.00 0.00 C ATOM 1056 OH TYR B 69 8.696 10.428 1.681 1.00 0.00 O ATOM 0 H TYR B 69 4.123 10.693 4.578 1.00 0.00 H new ATOM 0 HA TYR B 69 3.295 13.189 3.424 1.00 0.00 H new ATOM 0 HB2 TYR B 69 2.663 10.331 2.578 1.00 0.00 H new ATOM 0 HB3 TYR B 69 2.717 11.750 1.551 1.00 0.00 H new ATOM 0 HD1 TYR B 69 5.107 13.128 2.004 1.00 0.00 H new ATOM 0 HD2 TYR B 69 4.502 8.930 2.327 1.00 0.00 H new ATOM 0 HE1 TYR B 69 7.501 12.761 1.685 1.00 0.00 H new ATOM 0 HE2 TYR B 69 6.905 8.558 2.034 1.00 0.00 H new ATOM 0 HH TYR B 69 9.025 10.981 0.942 1.00 0.00 H new ATOM 1066 N LYS B 70 1.107 11.526 5.028 1.00 0.00 N ATOM 1067 CA LYS B 70 -0.266 11.491 5.514 1.00 0.00 C ATOM 1068 C LYS B 70 -0.594 12.794 6.251 1.00 0.00 C ATOM 1069 O LYS B 70 -1.747 13.222 6.296 1.00 0.00 O ATOM 1070 CB LYS B 70 -0.460 10.234 6.391 1.00 0.00 C ATOM 1071 CG LYS B 70 -1.879 9.969 6.888 1.00 0.00 C ATOM 1072 CD LYS B 70 -2.250 10.806 8.103 1.00 0.00 C ATOM 1073 CE LYS B 70 -3.675 10.523 8.556 1.00 0.00 C ATOM 1074 NZ LYS B 70 -4.073 11.376 9.702 1.00 0.00 N ATOM 0 H LYS B 70 1.744 10.924 5.550 1.00 0.00 H new ATOM 0 HA LYS B 70 -0.967 11.420 4.682 1.00 0.00 H new ATOM 0 HB2 LYS B 70 -0.129 9.365 5.822 1.00 0.00 H new ATOM 0 HB3 LYS B 70 0.196 10.317 7.257 1.00 0.00 H new ATOM 0 HG2 LYS B 70 -2.584 10.175 6.083 1.00 0.00 H new ATOM 0 HG3 LYS B 70 -1.979 8.913 7.137 1.00 0.00 H new ATOM 0 HD2 LYS B 70 -1.558 10.594 8.918 1.00 0.00 H new ATOM 0 HD3 LYS B 70 -2.146 11.864 7.864 1.00 0.00 H new ATOM 0 HE2 LYS B 70 -4.360 10.690 7.725 1.00 0.00 H new ATOM 0 HE3 LYS B 70 -3.765 9.474 8.837 1.00 0.00 H new ATOM 0 HZ1 LYS B 70 -5.050 11.151 9.979 1.00 0.00 H new ATOM 0 HZ2 LYS B 70 -3.436 11.198 10.505 1.00 0.00 H new ATOM 0 HZ3 LYS B 70 -4.013 12.377 9.427 1.00 0.00 H new ATOM 1088 N LYS B 71 0.429 13.459 6.770 1.00 0.00 N ATOM 1089 CA LYS B 71 0.231 14.743 7.430 1.00 0.00 C ATOM 1090 C LYS B 71 0.776 15.860 6.543 1.00 0.00 C ATOM 1091 O LYS B 71 1.214 16.910 7.013 1.00 0.00 O ATOM 1092 CB LYS B 71 0.846 14.770 8.837 1.00 0.00 C ATOM 1093 CG LYS B 71 2.232 14.172 8.942 1.00 0.00 C ATOM 1094 CD LYS B 71 3.306 15.153 8.507 1.00 0.00 C ATOM 1095 CE LYS B 71 4.705 14.631 8.797 1.00 0.00 C ATOM 1096 NZ LYS B 71 4.990 14.561 10.257 1.00 0.00 N ATOM 0 H LYS B 71 1.396 13.135 6.748 1.00 0.00 H new ATOM 0 HA LYS B 71 -0.838 14.901 7.571 1.00 0.00 H new ATOM 0 HB2 LYS B 71 0.886 15.804 9.180 1.00 0.00 H new ATOM 0 HB3 LYS B 71 0.183 14.234 9.517 1.00 0.00 H new ATOM 0 HG2 LYS B 71 2.417 13.863 9.971 1.00 0.00 H new ATOM 0 HG3 LYS B 71 2.288 13.275 8.325 1.00 0.00 H new ATOM 0 HD2 LYS B 71 3.206 15.350 7.440 1.00 0.00 H new ATOM 0 HD3 LYS B 71 3.159 16.103 9.021 1.00 0.00 H new ATOM 0 HE2 LYS B 71 4.819 13.639 8.359 1.00 0.00 H new ATOM 0 HE3 LYS B 71 5.439 15.278 8.316 1.00 0.00 H new ATOM 0 HZ1 LYS B 71 5.994 14.331 10.404 1.00 0.00 H new ATOM 0 HZ2 LYS B 71 4.777 15.479 10.697 1.00 0.00 H new ATOM 0 HZ3 LYS B 71 4.399 13.824 10.691 1.00 0.00 H new ATOM 1110 N VAL B 72 0.722 15.606 5.243 1.00 0.00 N ATOM 1111 CA VAL B 72 1.174 16.558 4.244 1.00 0.00 C ATOM 1112 C VAL B 72 -0.006 17.382 3.732 1.00 0.00 C ATOM 1113 O VAL B 72 0.123 18.587 3.499 1.00 0.00 O ATOM 1114 CB VAL B 72 1.897 15.834 3.081 1.00 0.00 C ATOM 1115 CG1 VAL B 72 1.951 16.672 1.817 1.00 0.00 C ATOM 1116 CG2 VAL B 72 3.297 15.434 3.512 1.00 0.00 C ATOM 0 H VAL B 72 0.363 14.734 4.854 1.00 0.00 H new ATOM 0 HA VAL B 72 1.891 17.236 4.707 1.00 0.00 H new ATOM 0 HB VAL B 72 1.318 14.942 2.843 1.00 0.00 H new ATOM 0 HG11 VAL B 72 2.468 16.117 1.034 1.00 0.00 H new ATOM 0 HG12 VAL B 72 0.937 16.902 1.489 1.00 0.00 H new ATOM 0 HG13 VAL B 72 2.487 17.600 2.018 1.00 0.00 H new ATOM 0 HG21 VAL B 72 3.800 14.925 2.689 1.00 0.00 H new ATOM 0 HG22 VAL B 72 3.862 16.325 3.787 1.00 0.00 H new ATOM 0 HG23 VAL B 72 3.236 14.764 4.370 1.00 0.00 H new ATOM 1126 N GLU B 73 -1.171 16.750 3.582 1.00 0.00 N ATOM 1127 CA GLU B 73 -2.343 17.482 3.125 1.00 0.00 C ATOM 1128 C GLU B 73 -3.182 17.948 4.293 1.00 0.00 C ATOM 1129 O GLU B 73 -3.966 17.205 4.881 1.00 0.00 O ATOM 1130 CB GLU B 73 -3.218 16.688 2.191 1.00 0.00 C ATOM 1131 CG GLU B 73 -4.345 17.522 1.606 1.00 0.00 C ATOM 1132 CD GLU B 73 -5.528 16.693 1.176 1.00 0.00 C ATOM 1133 OE1 GLU B 73 -6.006 15.882 1.990 1.00 0.00 O ATOM 1134 OE2 GLU B 73 -6.004 16.881 0.044 1.00 0.00 O ATOM 0 H GLU B 73 -1.323 15.758 3.766 1.00 0.00 H new ATOM 0 HA GLU B 73 -1.952 18.336 2.573 1.00 0.00 H new ATOM 0 HB2 GLU B 73 -2.609 16.285 1.381 1.00 0.00 H new ATOM 0 HB3 GLU B 73 -3.639 15.837 2.727 1.00 0.00 H new ATOM 0 HG2 GLU B 73 -4.670 18.253 2.346 1.00 0.00 H new ATOM 0 HG3 GLU B 73 -3.969 18.081 0.749 1.00 0.00 H new ATOM 1141 N LEU B 74 -2.981 19.195 4.588 1.00 0.00 N ATOM 1142 CA LEU B 74 -3.662 19.903 5.669 1.00 0.00 C ATOM 1143 C LEU B 74 -3.520 21.396 5.442 1.00 0.00 C ATOM 1144 O LEU B 74 -4.471 22.157 5.622 1.00 0.00 O ATOM 1145 CB LEU B 74 -3.085 19.501 7.028 1.00 0.00 C ATOM 1146 CG LEU B 74 -1.794 18.686 6.938 1.00 0.00 C ATOM 1147 CD1 LEU B 74 -0.605 19.545 6.543 1.00 0.00 C ATOM 1148 CD2 LEU B 74 -1.522 17.949 8.216 1.00 0.00 C ATOM 0 H LEU B 74 -2.321 19.781 4.077 1.00 0.00 H new ATOM 0 HA LEU B 74 -4.719 19.636 5.671 1.00 0.00 H new ATOM 0 HB2 LEU B 74 -2.894 20.402 7.611 1.00 0.00 H new ATOM 0 HB3 LEU B 74 -3.831 18.922 7.571 1.00 0.00 H new ATOM 0 HG LEU B 74 -1.940 17.949 6.148 1.00 0.00 H new ATOM 0 HD11 LEU B 74 0.290 18.925 6.491 1.00 0.00 H new ATOM 0 HD12 LEU B 74 -0.790 19.997 5.569 1.00 0.00 H new ATOM 0 HD13 LEU B 74 -0.461 20.330 7.285 1.00 0.00 H new ATOM 0 HD21 LEU B 74 -0.598 17.380 8.118 1.00 0.00 H new ATOM 0 HD22 LEU B 74 -1.424 18.663 9.034 1.00 0.00 H new ATOM 0 HD23 LEU B 74 -2.347 17.268 8.426 1.00 0.00 H new ATOM 1160 N PHE B 75 -2.323 21.806 5.026 1.00 0.00 N ATOM 1161 CA PHE B 75 -2.057 23.216 4.743 1.00 0.00 C ATOM 1162 C PHE B 75 -2.904 23.693 3.555 1.00 0.00 C ATOM 1163 O PHE B 75 -3.745 24.583 3.705 1.00 0.00 O ATOM 1164 CB PHE B 75 -0.564 23.488 4.463 1.00 0.00 C ATOM 1165 CG PHE B 75 0.389 22.938 5.481 1.00 0.00 C ATOM 1166 CD1 PHE B 75 0.347 23.367 6.795 1.00 0.00 C ATOM 1167 CD2 PHE B 75 1.343 21.995 5.118 1.00 0.00 C ATOM 1168 CE1 PHE B 75 1.236 22.870 7.729 1.00 0.00 C ATOM 1169 CE2 PHE B 75 2.231 21.492 6.048 1.00 0.00 C ATOM 1170 CZ PHE B 75 2.177 21.931 7.354 1.00 0.00 C ATOM 0 H PHE B 75 -1.526 21.187 4.878 1.00 0.00 H new ATOM 0 HA PHE B 75 -2.331 23.776 5.637 1.00 0.00 H new ATOM 0 HB2 PHE B 75 -0.312 23.068 3.489 1.00 0.00 H new ATOM 0 HB3 PHE B 75 -0.415 24.566 4.394 1.00 0.00 H new ATOM 0 HD1 PHE B 75 -0.389 24.099 7.095 1.00 0.00 H new ATOM 0 HD2 PHE B 75 1.390 21.651 4.095 1.00 0.00 H new ATOM 0 HE1 PHE B 75 1.195 23.216 8.751 1.00 0.00 H new ATOM 0 HE2 PHE B 75 2.966 20.757 5.753 1.00 0.00 H new ATOM 0 HZ PHE B 75 2.871 21.541 8.084 1.00 0.00 H new ATOM 1180 N PRO B 76 -2.704 23.111 2.351 1.00 0.00 N ATOM 1181 CA PRO B 76 -3.452 23.488 1.152 1.00 0.00 C ATOM 1182 C PRO B 76 -4.716 22.653 0.961 1.00 0.00 C ATOM 1183 O PRO B 76 -5.068 21.818 1.801 1.00 0.00 O ATOM 1184 CB PRO B 76 -2.450 23.167 0.050 1.00 0.00 C ATOM 1185 CG PRO B 76 -1.759 21.937 0.542 1.00 0.00 C ATOM 1186 CD PRO B 76 -1.732 22.042 2.049 1.00 0.00 C ATOM 0 HA PRO B 76 -3.799 24.521 1.181 1.00 0.00 H new ATOM 0 HB2 PRO B 76 -2.947 22.992 -0.904 1.00 0.00 H new ATOM 0 HB3 PRO B 76 -1.747 23.986 -0.103 1.00 0.00 H new ATOM 0 HG2 PRO B 76 -2.289 21.039 0.224 1.00 0.00 H new ATOM 0 HG3 PRO B 76 -0.749 21.870 0.138 1.00 0.00 H new ATOM 0 HD2 PRO B 76 -2.015 21.101 2.520 1.00 0.00 H new ATOM 0 HD3 PRO B 76 -0.736 22.294 2.414 1.00 0.00 H new ATOM 1194 N ASN B 77 -5.378 22.865 -0.167 1.00 0.00 N ATOM 1195 CA ASN B 77 -6.583 22.127 -0.506 1.00 0.00 C ATOM 1196 C ASN B 77 -6.483 21.628 -1.942 1.00 0.00 C ATOM 1197 O ASN B 77 -6.601 22.411 -2.883 1.00 0.00 O ATOM 1198 CB ASN B 77 -7.827 23.006 -0.347 1.00 0.00 C ATOM 1199 CG ASN B 77 -9.112 22.233 -0.563 1.00 0.00 C ATOM 1200 OD1 ASN B 77 -9.869 22.616 -1.580 1.00 0.00 O flip ATOM 1201 ND2 ASN B 77 -9.415 21.296 0.175 1.00 0.00 N flip ATOM 0 H ASN B 77 -5.096 23.550 -0.869 1.00 0.00 H new ATOM 0 HA ASN B 77 -6.676 21.280 0.174 1.00 0.00 H new ATOM 0 HB2 ASN B 77 -7.833 23.445 0.651 1.00 0.00 H new ATOM 0 HB3 ASN B 77 -7.779 23.831 -1.058 1.00 0.00 H new ATOM 0 HD21 ASN B 77 -8.801 21.036 0.947 1.00 0.00 H new ATOM 0 HD22 ASN B 77 -10.280 20.780 0.015 1.00 0.00 H new ATOM 1208 N GLY B 78 -6.241 20.334 -2.111 1.00 0.00 N ATOM 1209 CA GLY B 78 -6.113 19.776 -3.448 1.00 0.00 C ATOM 1210 C GLY B 78 -7.445 19.408 -4.059 1.00 0.00 C ATOM 1211 O GLY B 78 -8.331 18.896 -3.374 1.00 0.00 O ATOM 0 H GLY B 78 -6.131 19.662 -1.352 1.00 0.00 H new ATOM 0 HA2 GLY B 78 -5.610 20.498 -4.091 1.00 0.00 H new ATOM 0 HA3 GLY B 78 -5.480 18.890 -3.408 1.00 0.00 H new ATOM 1215 N GLY B 79 -7.590 19.657 -5.354 1.00 0.00 N ATOM 1216 CA GLY B 79 -8.830 19.333 -6.035 1.00 0.00 C ATOM 1217 C GLY B 79 -9.679 20.555 -6.313 1.00 0.00 C ATOM 1218 O GLY B 79 -10.155 20.746 -7.432 1.00 0.00 O ATOM 0 H GLY B 79 -6.873 20.077 -5.945 1.00 0.00 H new ATOM 0 HA2 GLY B 79 -8.603 18.831 -6.976 1.00 0.00 H new ATOM 0 HA3 GLY B 79 -9.400 18.630 -5.428 1.00 0.00 H new ATOM 1222 N ILE B 80 -9.865 21.386 -5.297 1.00 0.00 N ATOM 1223 CA ILE B 80 -10.657 22.595 -5.435 1.00 0.00 C ATOM 1224 C ILE B 80 -9.746 23.816 -5.440 1.00 0.00 C ATOM 1225 O ILE B 80 -9.611 24.455 -6.501 1.00 0.00 O ATOM 1226 CB ILE B 80 -11.683 22.727 -4.290 1.00 0.00 C ATOM 1227 CG1 ILE B 80 -12.450 21.417 -4.099 1.00 0.00 C ATOM 1228 CG2 ILE B 80 -12.655 23.860 -4.572 1.00 0.00 C ATOM 1229 CD1 ILE B 80 -13.457 21.464 -2.971 1.00 0.00 C ATOM 1230 OXT ILE B 80 -9.157 24.115 -4.388 1.00 0.00 O ATOM 0 H ILE B 80 -9.475 21.242 -4.365 1.00 0.00 H new ATOM 0 HA ILE B 80 -11.199 22.534 -6.379 1.00 0.00 H new ATOM 0 HB ILE B 80 -11.139 22.951 -3.373 1.00 0.00 H new ATOM 0 HG12 ILE B 80 -12.967 21.170 -5.026 1.00 0.00 H new ATOM 0 HG13 ILE B 80 -11.739 20.614 -3.907 1.00 0.00 H new ATOM 0 HG21 ILE B 80 -13.371 23.938 -3.754 1.00 0.00 H new ATOM 0 HG22 ILE B 80 -12.105 24.797 -4.663 1.00 0.00 H new ATOM 0 HG23 ILE B 80 -13.187 23.660 -5.502 1.00 0.00 H new ATOM 0 HD11 ILE B 80 -13.963 20.501 -2.894 1.00 0.00 H new ATOM 0 HD12 ILE B 80 -12.944 21.680 -2.034 1.00 0.00 H new ATOM 0 HD13 ILE B 80 -14.191 22.244 -3.171 1.00 0.00 H new TER 1242 ILE B 80 ATOM 1243 N GLY C 81 -10.694 -26.441 -0.536 1.00 0.00 N ATOM 1244 CA GLY C 81 -9.789 -27.481 -1.088 1.00 0.00 C ATOM 1245 C GLY C 81 -8.707 -26.893 -1.964 1.00 0.00 C ATOM 1246 O GLY C 81 -8.253 -25.774 -1.725 1.00 0.00 O ATOM 0 HA2 GLY C 81 -9.330 -28.032 -0.268 1.00 0.00 H new ATOM 0 HA3 GLY C 81 -10.372 -28.197 -1.666 1.00 0.00 H new ATOM 1252 N LEU C 82 -8.299 -27.649 -2.984 1.00 0.00 N ATOM 1253 CA LEU C 82 -7.261 -27.206 -3.914 1.00 0.00 C ATOM 1254 C LEU C 82 -7.662 -25.907 -4.616 1.00 0.00 C ATOM 1255 O LEU C 82 -6.914 -24.936 -4.564 1.00 0.00 O ATOM 1256 CB LEU C 82 -6.941 -28.293 -4.956 1.00 0.00 C ATOM 1257 CG LEU C 82 -6.234 -29.554 -4.440 1.00 0.00 C ATOM 1258 CD1 LEU C 82 -7.168 -30.422 -3.616 1.00 0.00 C ATOM 1259 CD2 LEU C 82 -5.674 -30.353 -5.603 1.00 0.00 C ATOM 0 H LEU C 82 -8.674 -28.576 -3.187 1.00 0.00 H new ATOM 0 HA LEU C 82 -6.363 -27.018 -3.326 1.00 0.00 H new ATOM 0 HB2 LEU C 82 -7.875 -28.596 -5.430 1.00 0.00 H new ATOM 0 HB3 LEU C 82 -6.319 -27.848 -5.733 1.00 0.00 H new ATOM 0 HG LEU C 82 -5.417 -29.234 -3.793 1.00 0.00 H new ATOM 0 HD11 LEU C 82 -6.632 -31.305 -3.268 1.00 0.00 H new ATOM 0 HD12 LEU C 82 -7.529 -29.855 -2.758 1.00 0.00 H new ATOM 0 HD13 LEU C 82 -8.015 -30.730 -4.230 1.00 0.00 H new ATOM 0 HD21 LEU C 82 -5.175 -31.245 -5.225 1.00 0.00 H new ATOM 0 HD22 LEU C 82 -6.487 -30.646 -6.268 1.00 0.00 H new ATOM 0 HD23 LEU C 82 -4.958 -29.742 -6.153 1.00 0.00 H new ATOM 1271 N PRO C 83 -8.828 -25.874 -5.316 1.00 0.00 N ATOM 1272 CA PRO C 83 -9.291 -24.693 -6.038 1.00 0.00 C ATOM 1273 C PRO C 83 -9.123 -23.401 -5.246 1.00 0.00 C ATOM 1274 O PRO C 83 -8.676 -22.387 -5.781 1.00 0.00 O ATOM 1275 CB PRO C 83 -10.775 -24.953 -6.252 1.00 0.00 C ATOM 1276 CG PRO C 83 -10.918 -26.435 -6.265 1.00 0.00 C ATOM 1277 CD PRO C 83 -9.748 -27.005 -5.507 1.00 0.00 C ATOM 0 HA PRO C 83 -8.717 -24.554 -6.954 1.00 0.00 H new ATOM 0 HB2 PRO C 83 -11.371 -24.508 -5.455 1.00 0.00 H new ATOM 0 HB3 PRO C 83 -11.119 -24.517 -7.190 1.00 0.00 H new ATOM 0 HG2 PRO C 83 -11.858 -26.734 -5.802 1.00 0.00 H new ATOM 0 HG3 PRO C 83 -10.933 -26.811 -7.288 1.00 0.00 H new ATOM 0 HD2 PRO C 83 -10.063 -27.423 -4.551 1.00 0.00 H new ATOM 0 HD3 PRO C 83 -9.272 -27.811 -6.065 1.00 0.00 H new ATOM 1285 N ASP C 84 -9.500 -23.457 -3.969 1.00 0.00 N ATOM 1286 CA ASP C 84 -9.413 -22.311 -3.069 1.00 0.00 C ATOM 1287 C ASP C 84 -7.970 -21.846 -2.926 1.00 0.00 C ATOM 1288 O ASP C 84 -7.687 -20.652 -2.940 1.00 0.00 O ATOM 1289 CB ASP C 84 -9.963 -22.681 -1.685 1.00 0.00 C ATOM 1290 CG ASP C 84 -11.360 -23.259 -1.725 1.00 0.00 C ATOM 1291 OD1 ASP C 84 -11.533 -24.370 -2.267 1.00 0.00 O ATOM 1292 OD2 ASP C 84 -12.286 -22.602 -1.214 1.00 0.00 O ATOM 0 H ASP C 84 -9.874 -24.299 -3.531 1.00 0.00 H new ATOM 0 HA ASP C 84 -10.007 -21.502 -3.495 1.00 0.00 H new ATOM 0 HB2 ASP C 84 -9.293 -23.403 -1.218 1.00 0.00 H new ATOM 0 HB3 ASP C 84 -9.964 -21.792 -1.054 1.00 0.00 H new ATOM 1297 N VAL C 85 -7.066 -22.807 -2.793 1.00 0.00 N ATOM 1298 CA VAL C 85 -5.645 -22.524 -2.655 1.00 0.00 C ATOM 1299 C VAL C 85 -5.122 -21.768 -3.875 1.00 0.00 C ATOM 1300 O VAL C 85 -4.488 -20.720 -3.744 1.00 0.00 O ATOM 1301 CB VAL C 85 -4.842 -23.833 -2.475 1.00 0.00 C ATOM 1302 CG1 VAL C 85 -3.348 -23.569 -2.386 1.00 0.00 C ATOM 1303 CG2 VAL C 85 -5.319 -24.585 -1.244 1.00 0.00 C ATOM 0 H VAL C 85 -7.296 -23.801 -2.778 1.00 0.00 H new ATOM 0 HA VAL C 85 -5.514 -21.902 -1.770 1.00 0.00 H new ATOM 0 HB VAL C 85 -5.018 -24.449 -3.357 1.00 0.00 H new ATOM 0 HG11 VAL C 85 -2.819 -24.513 -2.260 1.00 0.00 H new ATOM 0 HG12 VAL C 85 -3.009 -23.082 -3.301 1.00 0.00 H new ATOM 0 HG13 VAL C 85 -3.143 -22.922 -1.533 1.00 0.00 H new ATOM 0 HG21 VAL C 85 -4.743 -25.504 -1.133 1.00 0.00 H new ATOM 0 HG22 VAL C 85 -5.182 -23.961 -0.361 1.00 0.00 H new ATOM 0 HG23 VAL C 85 -6.375 -24.830 -1.354 1.00 0.00 H new ATOM 1313 N ALA C 86 -5.397 -22.296 -5.063 1.00 0.00 N ATOM 1314 CA ALA C 86 -4.951 -21.660 -6.296 1.00 0.00 C ATOM 1315 C ALA C 86 -5.661 -20.334 -6.528 1.00 0.00 C ATOM 1316 O ALA C 86 -5.083 -19.398 -7.084 1.00 0.00 O ATOM 1317 CB ALA C 86 -5.157 -22.589 -7.477 1.00 0.00 C ATOM 0 H ALA C 86 -5.924 -23.159 -5.197 1.00 0.00 H new ATOM 0 HA ALA C 86 -3.886 -21.452 -6.196 1.00 0.00 H new ATOM 0 HB1 ALA C 86 -4.819 -22.098 -8.389 1.00 0.00 H new ATOM 0 HB2 ALA C 86 -4.585 -23.504 -7.324 1.00 0.00 H new ATOM 0 HB3 ALA C 86 -6.215 -22.833 -7.568 1.00 0.00 H new ATOM 1323 N SER C 87 -6.909 -20.242 -6.088 1.00 0.00 N ATOM 1324 CA SER C 87 -7.671 -19.011 -6.236 1.00 0.00 C ATOM 1325 C SER C 87 -7.083 -17.945 -5.322 1.00 0.00 C ATOM 1326 O SER C 87 -7.261 -16.743 -5.532 1.00 0.00 O ATOM 1327 CB SER C 87 -9.150 -19.241 -5.899 1.00 0.00 C ATOM 1328 OG SER C 87 -9.960 -18.173 -6.371 1.00 0.00 O ATOM 0 H SER C 87 -7.412 -21.001 -5.628 1.00 0.00 H new ATOM 0 HA SER C 87 -7.610 -18.679 -7.272 1.00 0.00 H new ATOM 0 HB2 SER C 87 -9.485 -20.178 -6.344 1.00 0.00 H new ATOM 0 HB3 SER C 87 -9.268 -19.340 -4.820 1.00 0.00 H new ATOM 0 HG SER C 87 -9.626 -17.868 -7.240 1.00 0.00 H new ATOM 1334 N LEU C 88 -6.349 -18.386 -4.314 1.00 0.00 N ATOM 1335 CA LEU C 88 -5.718 -17.467 -3.395 1.00 0.00 C ATOM 1336 C LEU C 88 -4.497 -16.829 -4.044 1.00 0.00 C ATOM 1337 O LEU C 88 -4.138 -15.708 -3.714 1.00 0.00 O ATOM 1338 CB LEU C 88 -5.334 -18.188 -2.100 1.00 0.00 C ATOM 1339 CG LEU C 88 -4.613 -17.337 -1.055 1.00 0.00 C ATOM 1340 CD1 LEU C 88 -5.466 -16.152 -0.645 1.00 0.00 C ATOM 1341 CD2 LEU C 88 -4.260 -18.178 0.156 1.00 0.00 C ATOM 0 H LEU C 88 -6.179 -19.372 -4.116 1.00 0.00 H new ATOM 0 HA LEU C 88 -6.426 -16.676 -3.146 1.00 0.00 H new ATOM 0 HB2 LEU C 88 -6.240 -18.593 -1.649 1.00 0.00 H new ATOM 0 HB3 LEU C 88 -4.697 -19.036 -2.353 1.00 0.00 H new ATOM 0 HG LEU C 88 -3.692 -16.958 -1.498 1.00 0.00 H new ATOM 0 HD11 LEU C 88 -4.933 -15.560 0.099 1.00 0.00 H new ATOM 0 HD12 LEU C 88 -5.674 -15.534 -1.518 1.00 0.00 H new ATOM 0 HD13 LEU C 88 -6.405 -16.509 -0.221 1.00 0.00 H new ATOM 0 HD21 LEU C 88 -3.747 -17.559 0.892 1.00 0.00 H new ATOM 0 HD22 LEU C 88 -5.171 -18.584 0.595 1.00 0.00 H new ATOM 0 HD23 LEU C 88 -3.608 -18.997 -0.147 1.00 0.00 H new ATOM 1353 N ARG C 89 -3.876 -17.538 -4.986 1.00 0.00 N ATOM 1354 CA ARG C 89 -2.713 -17.011 -5.691 1.00 0.00 C ATOM 1355 C ARG C 89 -3.121 -15.776 -6.483 1.00 0.00 C ATOM 1356 O ARG C 89 -2.425 -14.763 -6.477 1.00 0.00 O ATOM 1357 CB ARG C 89 -2.111 -18.047 -6.652 1.00 0.00 C ATOM 1358 CG ARG C 89 -2.148 -19.487 -6.153 1.00 0.00 C ATOM 1359 CD ARG C 89 -1.525 -19.644 -4.775 1.00 0.00 C ATOM 1360 NE ARG C 89 -0.123 -19.209 -4.726 1.00 0.00 N ATOM 1361 CZ ARG C 89 0.891 -19.882 -5.266 1.00 0.00 C ATOM 1362 NH1 ARG C 89 0.680 -21.036 -5.889 1.00 0.00 N ATOM 1363 NH2 ARG C 89 2.119 -19.400 -5.178 1.00 0.00 N ATOM 0 H ARG C 89 -4.159 -18.474 -5.276 1.00 0.00 H new ATOM 0 HA ARG C 89 -1.957 -16.759 -4.947 1.00 0.00 H new ATOM 0 HB2 ARG C 89 -2.645 -17.993 -7.601 1.00 0.00 H new ATOM 0 HB3 ARG C 89 -1.075 -17.775 -6.853 1.00 0.00 H new ATOM 0 HG2 ARG C 89 -3.182 -19.830 -6.122 1.00 0.00 H new ATOM 0 HG3 ARG C 89 -1.621 -20.127 -6.861 1.00 0.00 H new ATOM 0 HD2 ARG C 89 -2.104 -19.068 -4.053 1.00 0.00 H new ATOM 0 HD3 ARG C 89 -1.586 -20.689 -4.472 1.00 0.00 H new ATOM 0 HE ARG C 89 0.088 -18.334 -4.247 1.00 0.00 H new ATOM 0 HH11 ARG C 89 -0.265 -21.414 -5.957 1.00 0.00 H new ATOM 0 HH12 ARG C 89 1.463 -21.544 -6.300 1.00 0.00 H new ATOM 0 HH21 ARG C 89 2.287 -18.516 -4.698 1.00 0.00 H new ATOM 0 HH22 ARG C 89 2.899 -19.912 -5.590 1.00 0.00 H new ATOM 1377 N GLN C 90 -4.276 -15.868 -7.153 1.00 0.00 N ATOM 1378 CA GLN C 90 -4.803 -14.756 -7.939 1.00 0.00 C ATOM 1379 C GLN C 90 -5.236 -13.614 -7.024 1.00 0.00 C ATOM 1380 O GLN C 90 -5.066 -12.441 -7.362 1.00 0.00 O ATOM 1381 CB GLN C 90 -5.975 -15.205 -8.820 1.00 0.00 C ATOM 1382 CG GLN C 90 -6.681 -16.459 -8.339 1.00 0.00 C ATOM 1383 CD GLN C 90 -7.972 -16.725 -9.089 1.00 0.00 C ATOM 1384 OE1 GLN C 90 -8.656 -17.714 -8.837 1.00 0.00 O ATOM 1385 NE2 GLN C 90 -8.317 -15.839 -10.013 1.00 0.00 N ATOM 0 H GLN C 90 -4.861 -16.704 -7.164 1.00 0.00 H new ATOM 0 HA GLN C 90 -4.006 -14.401 -8.592 1.00 0.00 H new ATOM 0 HB2 GLN C 90 -6.701 -14.394 -8.877 1.00 0.00 H new ATOM 0 HB3 GLN C 90 -5.607 -15.376 -9.832 1.00 0.00 H new ATOM 0 HG2 GLN C 90 -6.015 -17.314 -8.455 1.00 0.00 H new ATOM 0 HG3 GLN C 90 -6.896 -16.365 -7.275 1.00 0.00 H new ATOM 0 HE21 GLN C 90 -7.721 -15.031 -10.192 1.00 0.00 H new ATOM 0 HE22 GLN C 90 -9.178 -15.966 -10.545 1.00 0.00 H new ATOM 1394 N GLN C 91 -5.772 -13.956 -5.850 1.00 0.00 N ATOM 1395 CA GLN C 91 -6.186 -12.936 -4.884 1.00 0.00 C ATOM 1396 C GLN C 91 -4.962 -12.157 -4.415 1.00 0.00 C ATOM 1397 O GLN C 91 -5.029 -10.959 -4.148 1.00 0.00 O ATOM 1398 CB GLN C 91 -6.885 -13.569 -3.676 1.00 0.00 C ATOM 1399 CG GLN C 91 -8.205 -14.242 -4.013 1.00 0.00 C ATOM 1400 CD GLN C 91 -8.854 -14.889 -2.805 1.00 0.00 C ATOM 1401 OE1 GLN C 91 -8.303 -15.820 -2.216 1.00 0.00 O ATOM 1402 NE2 GLN C 91 -10.023 -14.399 -2.428 1.00 0.00 N ATOM 0 H GLN C 91 -5.928 -14.918 -5.548 1.00 0.00 H new ATOM 0 HA GLN C 91 -6.892 -12.265 -5.373 1.00 0.00 H new ATOM 0 HB2 GLN C 91 -6.218 -14.304 -3.226 1.00 0.00 H new ATOM 0 HB3 GLN C 91 -7.062 -12.798 -2.926 1.00 0.00 H new ATOM 0 HG2 GLN C 91 -8.887 -13.505 -4.436 1.00 0.00 H new ATOM 0 HG3 GLN C 91 -8.038 -14.998 -4.780 1.00 0.00 H new ATOM 0 HE21 GLN C 91 -10.443 -13.627 -2.945 1.00 0.00 H new ATOM 0 HE22 GLN C 91 -10.505 -14.793 -1.620 1.00 0.00 H new ATOM 1411 N VAL C 92 -3.839 -12.858 -4.340 1.00 0.00 N ATOM 1412 CA VAL C 92 -2.577 -12.271 -3.932 1.00 0.00 C ATOM 1413 C VAL C 92 -2.033 -11.372 -5.034 1.00 0.00 C ATOM 1414 O VAL C 92 -1.460 -10.323 -4.753 1.00 0.00 O ATOM 1415 CB VAL C 92 -1.555 -13.383 -3.576 1.00 0.00 C ATOM 1416 CG1 VAL C 92 -0.157 -12.833 -3.363 1.00 0.00 C ATOM 1417 CG2 VAL C 92 -2.002 -14.138 -2.339 1.00 0.00 C ATOM 0 H VAL C 92 -3.781 -13.852 -4.562 1.00 0.00 H new ATOM 0 HA VAL C 92 -2.744 -11.663 -3.043 1.00 0.00 H new ATOM 0 HB VAL C 92 -1.518 -14.064 -4.427 1.00 0.00 H new ATOM 0 HG11 VAL C 92 0.522 -13.650 -3.116 1.00 0.00 H new ATOM 0 HG12 VAL C 92 0.183 -12.341 -4.274 1.00 0.00 H new ATOM 0 HG13 VAL C 92 -0.170 -12.113 -2.545 1.00 0.00 H new ATOM 0 HG21 VAL C 92 -1.274 -14.914 -2.104 1.00 0.00 H new ATOM 0 HG22 VAL C 92 -2.080 -13.447 -1.500 1.00 0.00 H new ATOM 0 HG23 VAL C 92 -2.974 -14.596 -2.524 1.00 0.00 H new ATOM 1427 N GLU C 93 -2.251 -11.768 -6.288 1.00 0.00 N ATOM 1428 CA GLU C 93 -1.811 -10.968 -7.428 1.00 0.00 C ATOM 1429 C GLU C 93 -2.578 -9.655 -7.440 1.00 0.00 C ATOM 1430 O GLU C 93 -2.084 -8.631 -7.912 1.00 0.00 O ATOM 1431 CB GLU C 93 -2.033 -11.717 -8.741 1.00 0.00 C ATOM 1432 CG GLU C 93 -1.227 -12.995 -8.853 1.00 0.00 C ATOM 1433 CD GLU C 93 -1.459 -13.708 -10.162 1.00 0.00 C ATOM 1434 OE1 GLU C 93 -2.270 -13.216 -10.972 1.00 0.00 O ATOM 1435 OE2 GLU C 93 -0.825 -14.753 -10.386 1.00 0.00 O ATOM 0 H GLU C 93 -2.728 -12.634 -6.538 1.00 0.00 H new ATOM 0 HA GLU C 93 -0.743 -10.772 -7.331 1.00 0.00 H new ATOM 0 HB2 GLU C 93 -3.092 -11.955 -8.839 1.00 0.00 H new ATOM 0 HB3 GLU C 93 -1.775 -11.061 -9.572 1.00 0.00 H new ATOM 0 HG2 GLU C 93 -0.167 -12.763 -8.752 1.00 0.00 H new ATOM 0 HG3 GLU C 93 -1.488 -13.659 -8.029 1.00 0.00 H new ATOM 1442 N ALA C 94 -3.781 -9.704 -6.882 1.00 0.00 N ATOM 1443 CA ALA C 94 -4.646 -8.542 -6.765 1.00 0.00 C ATOM 1444 C ALA C 94 -4.051 -7.554 -5.780 1.00 0.00 C ATOM 1445 O ALA C 94 -3.858 -6.377 -6.087 1.00 0.00 O ATOM 1446 CB ALA C 94 -6.006 -8.979 -6.273 1.00 0.00 C ATOM 0 H ALA C 94 -4.184 -10.558 -6.496 1.00 0.00 H new ATOM 0 HA ALA C 94 -4.741 -8.065 -7.740 1.00 0.00 H new ATOM 0 HB1 ALA C 94 -6.657 -8.110 -6.184 1.00 0.00 H new ATOM 0 HB2 ALA C 94 -6.439 -9.686 -6.981 1.00 0.00 H new ATOM 0 HB3 ALA C 94 -5.904 -9.457 -5.299 1.00 0.00 H new ATOM 1452 N LEU C 95 -3.750 -8.067 -4.590 1.00 0.00 N ATOM 1453 CA LEU C 95 -3.151 -7.278 -3.523 1.00 0.00 C ATOM 1454 C LEU C 95 -1.841 -6.661 -3.994 1.00 0.00 C ATOM 1455 O LEU C 95 -1.488 -5.542 -3.618 1.00 0.00 O ATOM 1456 CB LEU C 95 -2.893 -8.176 -2.306 1.00 0.00 C ATOM 1457 CG LEU C 95 -4.006 -8.203 -1.253 1.00 0.00 C ATOM 1458 CD1 LEU C 95 -4.223 -6.816 -0.692 1.00 0.00 C ATOM 1459 CD2 LEU C 95 -5.301 -8.749 -1.831 1.00 0.00 C ATOM 0 H LEU C 95 -3.915 -9.042 -4.340 1.00 0.00 H new ATOM 0 HA LEU C 95 -3.836 -6.476 -3.247 1.00 0.00 H new ATOM 0 HB2 LEU C 95 -2.726 -9.194 -2.658 1.00 0.00 H new ATOM 0 HB3 LEU C 95 -1.971 -7.849 -1.825 1.00 0.00 H new ATOM 0 HG LEU C 95 -3.695 -8.869 -0.448 1.00 0.00 H new ATOM 0 HD11 LEU C 95 -5.016 -6.846 0.055 1.00 0.00 H new ATOM 0 HD12 LEU C 95 -3.302 -6.462 -0.230 1.00 0.00 H new ATOM 0 HD13 LEU C 95 -4.508 -6.139 -1.497 1.00 0.00 H new ATOM 0 HD21 LEU C 95 -6.070 -8.755 -1.059 1.00 0.00 H new ATOM 0 HD22 LEU C 95 -5.624 -8.119 -2.660 1.00 0.00 H new ATOM 0 HD23 LEU C 95 -5.139 -9.765 -2.190 1.00 0.00 H new ATOM 1471 N GLN C 96 -1.138 -7.406 -4.829 1.00 0.00 N ATOM 1472 CA GLN C 96 0.133 -6.959 -5.375 1.00 0.00 C ATOM 1473 C GLN C 96 -0.066 -5.842 -6.383 1.00 0.00 C ATOM 1474 O GLN C 96 0.668 -4.868 -6.374 1.00 0.00 O ATOM 1475 CB GLN C 96 0.886 -8.136 -6.009 1.00 0.00 C ATOM 1476 CG GLN C 96 1.970 -7.716 -6.984 1.00 0.00 C ATOM 1477 CD GLN C 96 2.967 -8.822 -7.260 1.00 0.00 C ATOM 1478 OE1 GLN C 96 2.623 -9.854 -7.830 1.00 0.00 O ATOM 1479 NE2 GLN C 96 4.209 -8.613 -6.848 1.00 0.00 N ATOM 0 H GLN C 96 -1.428 -8.331 -5.146 1.00 0.00 H new ATOM 0 HA GLN C 96 0.734 -6.564 -4.556 1.00 0.00 H new ATOM 0 HB2 GLN C 96 1.335 -8.736 -5.218 1.00 0.00 H new ATOM 0 HB3 GLN C 96 0.172 -8.775 -6.528 1.00 0.00 H new ATOM 0 HG2 GLN C 96 1.509 -7.405 -7.922 1.00 0.00 H new ATOM 0 HG3 GLN C 96 2.496 -6.849 -6.585 1.00 0.00 H new ATOM 0 HE21 GLN C 96 4.451 -7.740 -6.378 1.00 0.00 H new ATOM 0 HE22 GLN C 96 4.923 -9.325 -7.000 1.00 0.00 H new ATOM 1488 N GLY C 97 -1.060 -5.984 -7.239 1.00 0.00 N ATOM 1489 CA GLY C 97 -1.333 -4.964 -8.231 1.00 0.00 C ATOM 1490 C GLY C 97 -1.678 -3.633 -7.592 1.00 0.00 C ATOM 1491 O GLY C 97 -1.374 -2.562 -8.132 1.00 0.00 O ATOM 0 H GLY C 97 -1.686 -6.788 -7.267 1.00 0.00 H new ATOM 0 HA2 GLY C 97 -0.463 -4.842 -8.876 1.00 0.00 H new ATOM 0 HA3 GLY C 97 -2.158 -5.287 -8.866 1.00 0.00 H new ATOM 1495 N GLN C 98 -2.301 -3.691 -6.426 1.00 0.00 N ATOM 1496 CA GLN C 98 -2.680 -2.486 -5.710 1.00 0.00 C ATOM 1497 C GLN C 98 -1.470 -1.834 -5.053 1.00 0.00 C ATOM 1498 O GLN C 98 -1.329 -0.615 -5.064 1.00 0.00 O ATOM 1499 CB GLN C 98 -3.728 -2.812 -4.644 1.00 0.00 C ATOM 1500 CG GLN C 98 -4.934 -3.571 -5.173 1.00 0.00 C ATOM 1501 CD GLN C 98 -5.904 -3.967 -4.075 1.00 0.00 C ATOM 1502 OE1 GLN C 98 -6.435 -3.117 -3.357 1.00 0.00 O ATOM 1503 NE2 GLN C 98 -6.136 -5.266 -3.937 1.00 0.00 N ATOM 0 H GLN C 98 -2.554 -4.560 -5.956 1.00 0.00 H new ATOM 0 HA GLN C 98 -3.101 -1.787 -6.432 1.00 0.00 H new ATOM 0 HB2 GLN C 98 -3.258 -3.401 -3.856 1.00 0.00 H new ATOM 0 HB3 GLN C 98 -4.068 -1.882 -4.188 1.00 0.00 H new ATOM 0 HG2 GLN C 98 -5.454 -2.954 -5.906 1.00 0.00 H new ATOM 0 HG3 GLN C 98 -4.595 -4.467 -5.693 1.00 0.00 H new ATOM 0 HE21 GLN C 98 -5.675 -5.935 -4.554 1.00 0.00 H new ATOM 0 HE22 GLN C 98 -6.776 -5.596 -3.214 1.00 0.00 H new ATOM 1512 N VAL C 99 -0.606 -2.636 -4.469 1.00 0.00 N ATOM 1513 CA VAL C 99 0.566 -2.102 -3.798 1.00 0.00 C ATOM 1514 C VAL C 99 1.615 -1.618 -4.802 1.00 0.00 C ATOM 1515 O VAL C 99 2.396 -0.716 -4.503 1.00 0.00 O ATOM 1516 CB VAL C 99 1.172 -3.146 -2.828 1.00 0.00 C ATOM 1517 CG1 VAL C 99 1.811 -4.297 -3.580 1.00 0.00 C ATOM 1518 CG2 VAL C 99 2.181 -2.514 -1.892 1.00 0.00 C ATOM 0 H VAL C 99 -0.689 -3.652 -4.443 1.00 0.00 H new ATOM 0 HA VAL C 99 0.245 -1.239 -3.214 1.00 0.00 H new ATOM 0 HB VAL C 99 0.349 -3.539 -2.232 1.00 0.00 H new ATOM 0 HG11 VAL C 99 2.226 -5.011 -2.868 1.00 0.00 H new ATOM 0 HG12 VAL C 99 1.059 -4.792 -4.194 1.00 0.00 H new ATOM 0 HG13 VAL C 99 2.608 -3.916 -4.219 1.00 0.00 H new ATOM 0 HG21 VAL C 99 2.586 -3.276 -1.226 1.00 0.00 H new ATOM 0 HG22 VAL C 99 2.991 -2.073 -2.474 1.00 0.00 H new ATOM 0 HG23 VAL C 99 1.694 -1.738 -1.302 1.00 0.00 H new ATOM 1528 N GLN C 100 1.624 -2.204 -5.996 1.00 0.00 N ATOM 1529 CA GLN C 100 2.577 -1.807 -7.021 1.00 0.00 C ATOM 1530 C GLN C 100 2.189 -0.466 -7.617 1.00 0.00 C ATOM 1531 O GLN C 100 3.049 0.377 -7.846 1.00 0.00 O ATOM 1532 CB GLN C 100 2.707 -2.858 -8.129 1.00 0.00 C ATOM 1533 CG GLN C 100 1.415 -3.185 -8.852 1.00 0.00 C ATOM 1534 CD GLN C 100 1.633 -4.123 -10.024 1.00 0.00 C ATOM 1535 OE1 GLN C 100 2.164 -5.220 -9.856 1.00 0.00 O ATOM 1536 NE2 GLN C 100 1.227 -3.701 -11.215 1.00 0.00 N ATOM 0 H GLN C 100 0.986 -2.950 -6.274 1.00 0.00 H new ATOM 0 HA GLN C 100 3.550 -1.718 -6.537 1.00 0.00 H new ATOM 0 HB2 GLN C 100 3.436 -2.507 -8.859 1.00 0.00 H new ATOM 0 HB3 GLN C 100 3.106 -3.775 -7.695 1.00 0.00 H new ATOM 0 HG2 GLN C 100 0.714 -3.639 -8.152 1.00 0.00 H new ATOM 0 HG3 GLN C 100 0.957 -2.262 -9.208 1.00 0.00 H new ATOM 0 HE21 GLN C 100 0.791 -2.784 -11.310 1.00 0.00 H new ATOM 0 HE22 GLN C 100 1.351 -4.294 -12.036 1.00 0.00 H new ATOM 1545 N HIS C 101 0.896 -0.254 -7.869 1.00 0.00 N ATOM 1546 CA HIS C 101 0.473 1.019 -8.436 1.00 0.00 C ATOM 1547 C HIS C 101 0.401 2.089 -7.365 1.00 0.00 C ATOM 1548 O HIS C 101 0.458 3.281 -7.665 1.00 0.00 O ATOM 1549 CB HIS C 101 -0.839 0.911 -9.206 1.00 0.00 C ATOM 1550 CG HIS C 101 -2.072 0.985 -8.405 1.00 0.00 C ATOM 1551 ND1 HIS C 101 -2.401 0.063 -7.477 1.00 0.00 N ATOM 1552 CD2 HIS C 101 -3.076 1.894 -8.423 1.00 0.00 C ATOM 1553 CE1 HIS C 101 -3.561 0.410 -6.954 1.00 0.00 C ATOM 1554 NE2 HIS C 101 -4.027 1.517 -7.489 1.00 0.00 N ATOM 0 H HIS C 101 0.148 -0.925 -7.695 1.00 0.00 H new ATOM 0 HA HIS C 101 1.231 1.312 -9.162 1.00 0.00 H new ATOM 0 HB2 HIS C 101 -0.866 1.707 -9.950 1.00 0.00 H new ATOM 0 HB3 HIS C 101 -0.840 -0.034 -9.750 1.00 0.00 H new ATOM 0 HD2 HIS C 101 -3.127 2.766 -9.058 1.00 0.00 H new ATOM 0 HE1 HIS C 101 -4.067 -0.148 -6.180 1.00 0.00 H new ATOM 0 HE2 HIS C 101 -4.900 1.995 -7.265 1.00 0.00 H new ATOM 1562 N LEU C 102 0.312 1.671 -6.110 1.00 0.00 N ATOM 1563 CA LEU C 102 0.282 2.621 -5.021 1.00 0.00 C ATOM 1564 C LEU C 102 1.684 3.103 -4.727 1.00 0.00 C ATOM 1565 O LEU C 102 1.884 4.266 -4.411 1.00 0.00 O ATOM 1566 CB LEU C 102 -0.367 2.031 -3.784 1.00 0.00 C ATOM 1567 CG LEU C 102 -1.730 2.634 -3.482 1.00 0.00 C ATOM 1568 CD1 LEU C 102 -2.635 2.516 -4.680 1.00 0.00 C ATOM 1569 CD2 LEU C 102 -2.355 1.982 -2.260 1.00 0.00 C ATOM 0 H LEU C 102 0.260 0.692 -5.829 1.00 0.00 H new ATOM 0 HA LEU C 102 -0.328 3.473 -5.322 1.00 0.00 H new ATOM 0 HB2 LEU C 102 -0.473 0.954 -3.915 1.00 0.00 H new ATOM 0 HB3 LEU C 102 0.290 2.185 -2.928 1.00 0.00 H new ATOM 0 HG LEU C 102 -1.594 3.692 -3.260 1.00 0.00 H new ATOM 0 HD11 LEU C 102 -3.606 2.952 -4.447 1.00 0.00 H new ATOM 0 HD12 LEU C 102 -2.193 3.045 -5.524 1.00 0.00 H new ATOM 0 HD13 LEU C 102 -2.762 1.465 -4.938 1.00 0.00 H new ATOM 0 HD21 LEU C 102 -3.329 2.431 -2.066 1.00 0.00 H new ATOM 0 HD22 LEU C 102 -2.478 0.914 -2.440 1.00 0.00 H new ATOM 0 HD23 LEU C 102 -1.707 2.132 -1.396 1.00 0.00 H new ATOM 1581 N GLN C 103 2.659 2.214 -4.884 1.00 0.00 N ATOM 1582 CA GLN C 103 4.053 2.572 -4.686 1.00 0.00 C ATOM 1583 C GLN C 103 4.467 3.412 -5.888 1.00 0.00 C ATOM 1584 O GLN C 103 5.283 4.325 -5.793 1.00 0.00 O ATOM 1585 CB GLN C 103 4.919 1.307 -4.567 1.00 0.00 C ATOM 1586 CG GLN C 103 6.233 1.496 -3.819 1.00 0.00 C ATOM 1587 CD GLN C 103 7.265 2.286 -4.599 1.00 0.00 C ATOM 1588 OE1 GLN C 103 7.662 1.891 -5.698 1.00 0.00 O ATOM 1589 NE2 GLN C 103 7.704 3.401 -4.038 1.00 0.00 N ATOM 0 H GLN C 103 2.506 1.241 -5.148 1.00 0.00 H new ATOM 0 HA GLN C 103 4.189 3.136 -3.763 1.00 0.00 H new ATOM 0 HB2 GLN C 103 4.339 0.534 -4.063 1.00 0.00 H new ATOM 0 HB3 GLN C 103 5.138 0.939 -5.569 1.00 0.00 H new ATOM 0 HG2 GLN C 103 6.035 2.005 -2.876 1.00 0.00 H new ATOM 0 HG3 GLN C 103 6.646 0.518 -3.573 1.00 0.00 H new ATOM 0 HE21 GLN C 103 7.347 3.688 -3.127 1.00 0.00 H new ATOM 0 HE22 GLN C 103 8.400 3.973 -4.517 1.00 0.00 H new ATOM 1598 N ALA C 104 3.834 3.090 -7.015 1.00 0.00 N ATOM 1599 CA ALA C 104 4.037 3.786 -8.273 1.00 0.00 C ATOM 1600 C ALA C 104 3.706 5.253 -8.103 1.00 0.00 C ATOM 1601 O ALA C 104 4.571 6.118 -8.229 1.00 0.00 O ATOM 1602 CB ALA C 104 3.137 3.178 -9.341 1.00 0.00 C ATOM 0 H ALA C 104 3.158 2.328 -7.075 1.00 0.00 H new ATOM 0 HA ALA C 104 5.079 3.686 -8.578 1.00 0.00 H new ATOM 0 HB1 ALA C 104 3.289 3.700 -10.286 1.00 0.00 H new ATOM 0 HB2 ALA C 104 3.382 2.123 -9.466 1.00 0.00 H new ATOM 0 HB3 ALA C 104 2.095 3.275 -9.037 1.00 0.00 H new ATOM 1608 N ALA C 105 2.442 5.516 -7.790 1.00 0.00 N ATOM 1609 CA ALA C 105 1.975 6.872 -7.573 1.00 0.00 C ATOM 1610 C ALA C 105 2.777 7.532 -6.460 1.00 0.00 C ATOM 1611 O ALA C 105 3.184 8.688 -6.571 1.00 0.00 O ATOM 1612 CB ALA C 105 0.495 6.869 -7.226 1.00 0.00 C ATOM 0 H ALA C 105 1.723 4.801 -7.681 1.00 0.00 H new ATOM 0 HA ALA C 105 2.116 7.443 -8.491 1.00 0.00 H new ATOM 0 HB1 ALA C 105 0.157 7.893 -7.066 1.00 0.00 H new ATOM 0 HB2 ALA C 105 -0.070 6.424 -8.045 1.00 0.00 H new ATOM 0 HB3 ALA C 105 0.335 6.288 -6.318 1.00 0.00 H new ATOM 1618 N PHE C 106 2.995 6.773 -5.392 1.00 0.00 N ATOM 1619 CA PHE C 106 3.736 7.237 -4.221 1.00 0.00 C ATOM 1620 C PHE C 106 5.096 7.789 -4.582 1.00 0.00 C ATOM 1621 O PHE C 106 5.567 8.683 -3.917 1.00 0.00 O ATOM 1622 CB PHE C 106 3.934 6.089 -3.230 1.00 0.00 C ATOM 1623 CG PHE C 106 3.749 6.456 -1.784 1.00 0.00 C ATOM 1624 CD1 PHE C 106 3.654 7.783 -1.376 1.00 0.00 C ATOM 1625 CD2 PHE C 106 3.655 5.458 -0.825 1.00 0.00 C ATOM 1626 CE1 PHE C 106 3.471 8.096 -0.045 1.00 0.00 C ATOM 1627 CE2 PHE C 106 3.469 5.769 0.507 1.00 0.00 C ATOM 1628 CZ PHE C 106 3.376 7.089 0.896 1.00 0.00 C ATOM 0 H PHE C 106 2.661 5.812 -5.312 1.00 0.00 H new ATOM 0 HA PHE C 106 3.143 8.036 -3.775 1.00 0.00 H new ATOM 0 HB2 PHE C 106 3.235 5.290 -3.478 1.00 0.00 H new ATOM 0 HB3 PHE C 106 4.938 5.686 -3.361 1.00 0.00 H new ATOM 0 HD1 PHE C 106 3.724 8.574 -2.107 1.00 0.00 H new ATOM 0 HD2 PHE C 106 3.728 4.423 -1.125 1.00 0.00 H new ATOM 0 HE1 PHE C 106 3.402 9.129 0.262 1.00 0.00 H new ATOM 0 HE2 PHE C 106 3.397 4.981 1.242 1.00 0.00 H new ATOM 0 HZ PHE C 106 3.229 7.336 1.937 1.00 0.00 H new ATOM 1638 N SER C 107 5.731 7.256 -5.617 1.00 0.00 N ATOM 1639 CA SER C 107 7.053 7.730 -6.014 1.00 0.00 C ATOM 1640 C SER C 107 7.063 9.252 -6.161 1.00 0.00 C ATOM 1641 O SER C 107 8.054 9.916 -5.852 1.00 0.00 O ATOM 1642 CB SER C 107 7.480 7.055 -7.320 1.00 0.00 C ATOM 1643 OG SER C 107 8.769 7.475 -7.741 1.00 0.00 O ATOM 0 H SER C 107 5.358 6.502 -6.193 1.00 0.00 H new ATOM 0 HA SER C 107 7.767 7.466 -5.234 1.00 0.00 H new ATOM 0 HB2 SER C 107 7.477 5.973 -7.186 1.00 0.00 H new ATOM 0 HB3 SER C 107 6.753 7.282 -8.100 1.00 0.00 H new ATOM 0 HG SER C 107 9.005 7.020 -8.577 1.00 0.00 H new ATOM 1649 N GLN C 108 5.947 9.805 -6.604 1.00 0.00 N ATOM 1650 CA GLN C 108 5.825 11.240 -6.768 1.00 0.00 C ATOM 1651 C GLN C 108 5.494 11.915 -5.437 1.00 0.00 C ATOM 1652 O GLN C 108 6.086 12.923 -5.073 1.00 0.00 O ATOM 1653 CB GLN C 108 4.724 11.552 -7.777 1.00 0.00 C ATOM 1654 CG GLN C 108 4.729 10.639 -8.996 1.00 0.00 C ATOM 1655 CD GLN C 108 3.639 10.981 -9.990 1.00 0.00 C ATOM 1656 OE1 GLN C 108 2.980 12.105 -9.777 1.00 0.00 O flip ATOM 1657 NE2 GLN C 108 3.399 10.243 -10.948 1.00 0.00 N flip ATOM 0 H GLN C 108 5.111 9.278 -6.857 1.00 0.00 H new ATOM 0 HA GLN C 108 6.779 11.624 -7.128 1.00 0.00 H new ATOM 0 HB2 GLN C 108 3.757 11.474 -7.281 1.00 0.00 H new ATOM 0 HB3 GLN C 108 4.830 12.585 -8.108 1.00 0.00 H new ATOM 0 HG2 GLN C 108 5.698 10.705 -9.490 1.00 0.00 H new ATOM 0 HG3 GLN C 108 4.607 9.606 -8.671 1.00 0.00 H new ATOM 0 HE21 GLN C 108 3.932 9.383 -11.075 1.00 0.00 H new ATOM 0 HE22 GLN C 108 2.667 10.492 -11.613 1.00 0.00 H new ATOM 1666 N TYR C 109 4.526 11.354 -4.732 1.00 0.00 N ATOM 1667 CA TYR C 109 4.072 11.898 -3.454 1.00 0.00 C ATOM 1668 C TYR C 109 5.110 11.707 -2.344 1.00 0.00 C ATOM 1669 O TYR C 109 5.070 12.380 -1.317 1.00 0.00 O ATOM 1670 CB TYR C 109 2.755 11.239 -3.087 1.00 0.00 C ATOM 1671 CG TYR C 109 1.796 11.288 -4.245 1.00 0.00 C ATOM 1672 CD1 TYR C 109 1.408 12.497 -4.811 1.00 0.00 C ATOM 1673 CD2 TYR C 109 1.329 10.121 -4.810 1.00 0.00 C ATOM 1674 CE1 TYR C 109 0.581 12.527 -5.902 1.00 0.00 C ATOM 1675 CE2 TYR C 109 0.504 10.140 -5.907 1.00 0.00 C ATOM 1676 CZ TYR C 109 0.132 11.348 -6.454 1.00 0.00 C ATOM 1677 OH TYR C 109 -0.689 11.376 -7.555 1.00 0.00 O ATOM 0 H TYR C 109 4.031 10.511 -5.024 1.00 0.00 H new ATOM 0 HA TYR C 109 3.933 12.974 -3.560 1.00 0.00 H new ATOM 0 HB2 TYR C 109 2.929 10.203 -2.796 1.00 0.00 H new ATOM 0 HB3 TYR C 109 2.318 11.743 -2.225 1.00 0.00 H new ATOM 0 HD1 TYR C 109 1.763 13.424 -4.385 1.00 0.00 H new ATOM 0 HD2 TYR C 109 1.618 9.173 -4.381 1.00 0.00 H new ATOM 0 HE1 TYR C 109 0.282 13.473 -6.328 1.00 0.00 H new ATOM 0 HE2 TYR C 109 0.150 9.215 -6.338 1.00 0.00 H new ATOM 0 HH TYR C 109 -1.446 11.975 -7.384 1.00 0.00 H new ATOM 1687 N LYS C 110 6.028 10.784 -2.573 1.00 0.00 N ATOM 1688 CA LYS C 110 7.092 10.464 -1.628 1.00 0.00 C ATOM 1689 C LYS C 110 8.139 11.588 -1.619 1.00 0.00 C ATOM 1690 O LYS C 110 8.815 11.820 -0.617 1.00 0.00 O ATOM 1691 CB LYS C 110 7.684 9.083 -1.994 1.00 0.00 C ATOM 1692 CG LYS C 110 8.731 8.528 -1.035 1.00 0.00 C ATOM 1693 CD LYS C 110 10.115 9.115 -1.277 1.00 0.00 C ATOM 1694 CE LYS C 110 11.150 8.524 -0.329 1.00 0.00 C ATOM 1695 NZ LYS C 110 12.492 9.147 -0.488 1.00 0.00 N ATOM 0 H LYS C 110 6.059 10.228 -3.428 1.00 0.00 H new ATOM 0 HA LYS C 110 6.705 10.397 -0.611 1.00 0.00 H new ATOM 0 HB2 LYS C 110 6.866 8.366 -2.062 1.00 0.00 H new ATOM 0 HB3 LYS C 110 8.130 9.153 -2.986 1.00 0.00 H new ATOM 0 HG2 LYS C 110 8.426 8.736 -0.009 1.00 0.00 H new ATOM 0 HG3 LYS C 110 8.776 7.444 -1.140 1.00 0.00 H new ATOM 0 HD2 LYS C 110 10.415 8.926 -2.308 1.00 0.00 H new ATOM 0 HD3 LYS C 110 10.079 10.197 -1.148 1.00 0.00 H new ATOM 0 HE2 LYS C 110 10.812 8.654 0.699 1.00 0.00 H new ATOM 0 HE3 LYS C 110 11.228 7.451 -0.505 1.00 0.00 H new ATOM 0 HZ1 LYS C 110 13.159 8.710 0.179 1.00 0.00 H new ATOM 0 HZ2 LYS C 110 12.830 9.001 -1.461 1.00 0.00 H new ATOM 0 HZ3 LYS C 110 12.427 10.167 -0.294 1.00 0.00 H new ATOM 1709 N LYS C 111 8.227 12.327 -2.720 1.00 0.00 N ATOM 1710 CA LYS C 111 9.141 13.459 -2.792 1.00 0.00 C ATOM 1711 C LYS C 111 8.344 14.757 -2.739 1.00 0.00 C ATOM 1712 O LYS C 111 8.762 15.796 -3.250 1.00 0.00 O ATOM 1713 CB LYS C 111 10.049 13.391 -4.026 1.00 0.00 C ATOM 1714 CG LYS C 111 9.356 13.022 -5.320 1.00 0.00 C ATOM 1715 CD LYS C 111 8.665 14.220 -5.950 1.00 0.00 C ATOM 1716 CE LYS C 111 8.145 13.903 -7.343 1.00 0.00 C ATOM 1717 NZ LYS C 111 9.243 13.705 -8.325 1.00 0.00 N ATOM 0 H LYS C 111 7.682 12.164 -3.567 1.00 0.00 H new ATOM 0 HA LYS C 111 9.808 13.423 -1.931 1.00 0.00 H new ATOM 0 HB2 LYS C 111 10.532 14.360 -4.155 1.00 0.00 H new ATOM 0 HB3 LYS C 111 10.839 12.664 -3.836 1.00 0.00 H new ATOM 0 HG2 LYS C 111 10.085 12.613 -6.019 1.00 0.00 H new ATOM 0 HG3 LYS C 111 8.623 12.238 -5.129 1.00 0.00 H new ATOM 0 HD2 LYS C 111 7.837 14.537 -5.316 1.00 0.00 H new ATOM 0 HD3 LYS C 111 9.363 15.056 -6.004 1.00 0.00 H new ATOM 0 HE2 LYS C 111 7.530 13.004 -7.303 1.00 0.00 H new ATOM 0 HE3 LYS C 111 7.501 14.715 -7.681 1.00 0.00 H new ATOM 0 HZ1 LYS C 111 8.841 13.593 -9.277 1.00 0.00 H new ATOM 0 HZ2 LYS C 111 9.874 14.531 -8.311 1.00 0.00 H new ATOM 0 HZ3 LYS C 111 9.783 12.852 -8.074 1.00 0.00 H new ATOM 1731 N VAL C 112 7.194 14.671 -2.084 1.00 0.00 N ATOM 1732 CA VAL C 112 6.306 15.807 -1.911 1.00 0.00 C ATOM 1733 C VAL C 112 6.589 16.495 -0.579 1.00 0.00 C ATOM 1734 O VAL C 112 6.551 17.723 -0.486 1.00 0.00 O ATOM 1735 CB VAL C 112 4.824 15.373 -2.002 1.00 0.00 C ATOM 1736 CG1 VAL C 112 3.885 16.372 -1.360 1.00 0.00 C ATOM 1737 CG2 VAL C 112 4.441 15.156 -3.448 1.00 0.00 C ATOM 0 H VAL C 112 6.852 13.809 -1.658 1.00 0.00 H new ATOM 0 HA VAL C 112 6.493 16.517 -2.717 1.00 0.00 H new ATOM 0 HB VAL C 112 4.725 14.440 -1.447 1.00 0.00 H new ATOM 0 HG11 VAL C 112 2.858 16.018 -1.452 1.00 0.00 H new ATOM 0 HG12 VAL C 112 4.137 16.483 -0.305 1.00 0.00 H new ATOM 0 HG13 VAL C 112 3.983 17.336 -1.859 1.00 0.00 H new ATOM 0 HG21 VAL C 112 3.396 14.850 -3.506 1.00 0.00 H new ATOM 0 HG22 VAL C 112 4.579 16.083 -4.004 1.00 0.00 H new ATOM 0 HG23 VAL C 112 5.071 14.378 -3.878 1.00 0.00 H new ATOM 1747 N GLU C 113 6.905 15.713 0.447 1.00 0.00 N ATOM 1748 CA GLU C 113 7.214 16.301 1.734 1.00 0.00 C ATOM 1749 C GLU C 113 8.698 16.450 1.910 1.00 0.00 C ATOM 1750 O GLU C 113 9.431 15.504 2.207 1.00 0.00 O ATOM 1751 CB GLU C 113 6.666 15.516 2.895 1.00 0.00 C ATOM 1752 CG GLU C 113 6.814 16.256 4.216 1.00 0.00 C ATOM 1753 CD GLU C 113 6.948 15.330 5.408 1.00 0.00 C ATOM 1754 OE1 GLU C 113 7.798 14.413 5.361 1.00 0.00 O ATOM 1755 OE2 GLU C 113 6.227 15.537 6.401 1.00 0.00 O ATOM 0 H GLU C 113 6.952 14.695 0.411 1.00 0.00 H new ATOM 0 HA GLU C 113 6.730 17.278 1.734 1.00 0.00 H new ATOM 0 HB2 GLU C 113 5.612 15.300 2.719 1.00 0.00 H new ATOM 0 HB3 GLU C 113 7.182 14.558 2.958 1.00 0.00 H new ATOM 0 HG2 GLU C 113 7.690 16.903 4.166 1.00 0.00 H new ATOM 0 HG3 GLU C 113 5.948 16.902 4.362 1.00 0.00 H new ATOM 1762 N LEU C 114 9.099 17.664 1.727 1.00 0.00 N ATOM 1763 CA LEU C 114 10.478 18.074 1.852 1.00 0.00 C ATOM 1764 C LEU C 114 10.569 19.591 1.885 1.00 0.00 C ATOM 1765 O LEU C 114 11.414 20.155 2.584 1.00 0.00 O ATOM 1766 CB LEU C 114 11.364 17.437 0.768 1.00 0.00 C ATOM 1767 CG LEU C 114 11.028 17.609 -0.723 1.00 0.00 C ATOM 1768 CD1 LEU C 114 11.287 16.306 -1.440 1.00 0.00 C ATOM 1769 CD2 LEU C 114 9.643 18.118 -1.051 1.00 0.00 C ATOM 0 H LEU C 114 8.468 18.426 1.479 1.00 0.00 H new ATOM 0 HA LEU C 114 10.871 17.705 2.799 1.00 0.00 H new ATOM 0 HB2 LEU C 114 12.374 17.818 0.915 1.00 0.00 H new ATOM 0 HB3 LEU C 114 11.395 16.366 0.968 1.00 0.00 H new ATOM 0 HG LEU C 114 11.685 18.406 -1.070 1.00 0.00 H new ATOM 0 HD11 LEU C 114 11.051 16.420 -2.498 1.00 0.00 H new ATOM 0 HD12 LEU C 114 12.336 16.032 -1.330 1.00 0.00 H new ATOM 0 HD13 LEU C 114 10.661 15.524 -1.011 1.00 0.00 H new ATOM 0 HD21 LEU C 114 9.531 18.196 -2.132 1.00 0.00 H new ATOM 0 HD22 LEU C 114 8.898 17.426 -0.657 1.00 0.00 H new ATOM 0 HD23 LEU C 114 9.500 19.100 -0.600 1.00 0.00 H new ATOM 1781 N PHE C 115 9.661 20.247 1.168 1.00 0.00 N ATOM 1782 CA PHE C 115 9.609 21.706 1.159 1.00 0.00 C ATOM 1783 C PHE C 115 9.091 22.210 2.514 1.00 0.00 C ATOM 1784 O PHE C 115 9.799 22.929 3.221 1.00 0.00 O ATOM 1785 CB PHE C 115 8.718 22.254 0.033 1.00 0.00 C ATOM 1786 CG PHE C 115 9.015 21.732 -1.338 1.00 0.00 C ATOM 1787 CD1 PHE C 115 10.223 22.004 -1.955 1.00 0.00 C ATOM 1788 CD2 PHE C 115 8.070 20.983 -2.019 1.00 0.00 C ATOM 1789 CE1 PHE C 115 10.483 21.537 -3.228 1.00 0.00 C ATOM 1790 CE2 PHE C 115 8.325 20.511 -3.290 1.00 0.00 C ATOM 1791 CZ PHE C 115 9.531 20.791 -3.897 1.00 0.00 C ATOM 0 H PHE C 115 8.954 19.794 0.588 1.00 0.00 H new ATOM 0 HA PHE C 115 10.622 22.067 0.980 1.00 0.00 H new ATOM 0 HB2 PHE C 115 7.679 22.026 0.272 1.00 0.00 H new ATOM 0 HB3 PHE C 115 8.810 23.340 0.017 1.00 0.00 H new ATOM 0 HD1 PHE C 115 10.970 22.587 -1.436 1.00 0.00 H new ATOM 0 HD2 PHE C 115 7.122 20.766 -1.549 1.00 0.00 H new ATOM 0 HE1 PHE C 115 11.429 21.754 -3.701 1.00 0.00 H new ATOM 0 HE2 PHE C 115 7.582 19.924 -3.808 1.00 0.00 H new ATOM 0 HZ PHE C 115 9.732 20.428 -4.894 1.00 0.00 H new ATOM 1801 N PRO C 116 7.849 21.836 2.900 1.00 0.00 N ATOM 1802 CA PRO C 116 7.254 22.249 4.168 1.00 0.00 C ATOM 1803 C PRO C 116 7.527 21.256 5.294 1.00 0.00 C ATOM 1804 O PRO C 116 8.257 20.279 5.120 1.00 0.00 O ATOM 1805 CB PRO C 116 5.769 22.246 3.832 1.00 0.00 C ATOM 1806 CG PRO C 116 5.611 21.087 2.902 1.00 0.00 C ATOM 1807 CD PRO C 116 6.912 20.982 2.137 1.00 0.00 C ATOM 0 HA PRO C 116 7.649 23.200 4.525 1.00 0.00 H new ATOM 0 HB2 PRO C 116 5.158 22.126 4.726 1.00 0.00 H new ATOM 0 HB3 PRO C 116 5.465 23.180 3.361 1.00 0.00 H new ATOM 0 HG2 PRO C 116 5.408 20.169 3.454 1.00 0.00 H new ATOM 0 HG3 PRO C 116 4.772 21.243 2.224 1.00 0.00 H new ATOM 0 HD2 PRO C 116 7.263 19.951 2.087 1.00 0.00 H new ATOM 0 HD3 PRO C 116 6.800 21.331 1.110 1.00 0.00 H new ATOM 1815 N ASN C 117 6.915 21.503 6.441 1.00 0.00 N ATOM 1816 CA ASN C 117 7.061 20.626 7.594 1.00 0.00 C ATOM 1817 C ASN C 117 5.692 20.342 8.198 1.00 0.00 C ATOM 1818 O ASN C 117 5.102 21.207 8.849 1.00 0.00 O ATOM 1819 CB ASN C 117 7.975 21.259 8.649 1.00 0.00 C ATOM 1820 CG ASN C 117 8.261 20.322 9.807 1.00 0.00 C ATOM 1821 OD1 ASN C 117 7.825 20.703 11.000 1.00 0.00 O flip ATOM 1822 ND2 ASN C 117 8.867 19.265 9.628 1.00 0.00 N flip ATOM 0 H ASN C 117 6.309 22.308 6.600 1.00 0.00 H new ATOM 0 HA ASN C 117 7.515 19.692 7.264 1.00 0.00 H new ATOM 0 HB2 ASN C 117 8.915 21.552 8.182 1.00 0.00 H new ATOM 0 HB3 ASN C 117 7.511 22.169 9.028 1.00 0.00 H new ATOM 0 HD21 ASN C 117 9.185 19.011 8.692 1.00 0.00 H new ATOM 0 HD22 ASN C 117 9.051 18.643 10.415 1.00 0.00 H new ATOM 1829 N GLY C 118 5.177 19.140 7.967 1.00 0.00 N ATOM 1830 CA GLY C 118 3.869 18.790 8.490 1.00 0.00 C ATOM 1831 C GLY C 118 3.920 18.297 9.924 1.00 0.00 C ATOM 1832 O GLY C 118 4.843 17.579 10.305 1.00 0.00 O ATOM 0 H GLY C 118 5.638 18.405 7.430 1.00 0.00 H new ATOM 0 HA2 GLY C 118 3.216 19.661 8.433 1.00 0.00 H new ATOM 0 HA3 GLY C 118 3.426 18.018 7.861 1.00 0.00 H new ATOM 1836 N GLY C 119 2.928 18.683 10.719 1.00 0.00 N ATOM 1837 CA GLY C 119 2.883 18.264 12.111 1.00 0.00 C ATOM 1838 C GLY C 119 3.305 19.361 13.066 1.00 0.00 C ATOM 1839 O GLY C 119 2.642 19.605 14.075 1.00 0.00 O ATOM 0 H GLY C 119 2.153 19.279 10.426 1.00 0.00 H new ATOM 0 HA2 GLY C 119 1.871 17.943 12.357 1.00 0.00 H new ATOM 0 HA3 GLY C 119 3.533 17.400 12.247 1.00 0.00 H new ATOM 1843 N ILE C 120 4.409 20.024 12.749 1.00 0.00 N ATOM 1844 CA ILE C 120 4.912 21.100 13.585 1.00 0.00 C ATOM 1845 C ILE C 120 4.727 22.438 12.882 1.00 0.00 C ATOM 1846 O ILE C 120 4.009 23.301 13.417 1.00 0.00 O ATOM 1847 CB ILE C 120 6.407 20.904 13.924 1.00 0.00 C ATOM 1848 CG1 ILE C 120 6.667 19.476 14.406 1.00 0.00 C ATOM 1849 CG2 ILE C 120 6.846 21.902 14.982 1.00 0.00 C ATOM 1850 CD1 ILE C 120 8.124 19.197 14.701 1.00 0.00 C ATOM 1851 OXT ILE C 120 5.290 22.609 11.784 1.00 0.00 O ATOM 0 H ILE C 120 4.971 19.834 11.919 1.00 0.00 H new ATOM 0 HA ILE C 120 4.344 21.087 14.515 1.00 0.00 H new ATOM 0 HB ILE C 120 6.988 21.075 13.018 1.00 0.00 H new ATOM 0 HG12 ILE C 120 6.080 19.292 15.306 1.00 0.00 H new ATOM 0 HG13 ILE C 120 6.317 18.775 13.648 1.00 0.00 H new ATOM 0 HG21 ILE C 120 7.901 21.751 15.209 1.00 0.00 H new ATOM 0 HG22 ILE C 120 6.697 22.916 14.610 1.00 0.00 H new ATOM 0 HG23 ILE C 120 6.255 21.757 15.887 1.00 0.00 H new ATOM 0 HD11 ILE C 120 8.236 18.167 15.038 1.00 0.00 H new ATOM 0 HD12 ILE C 120 8.714 19.349 13.797 1.00 0.00 H new ATOM 0 HD13 ILE C 120 8.473 19.874 15.481 1.00 0.00 H new TER 1863 ILE C 120