USER MOD reduce.3.24.130724 H: found=0, std=0, add=866, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 860 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 24 THR OG1 : rot -119:sc= 0.292 USER MOD Set 1.2: A 27 ASN : amide:sc= -7.81! C(o=-7.5!,f=-16!) USER MOD Set 1.3: A 106 TYR OH : rot 180:sc= 0.071 USER MOD Set 2.1: A 92 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 96 GLN :FLIP amide:sc= -1.1 F(o=-1.8,f=-1.1) USER MOD Set 3.1: A 29 LYS NZ :NH3+ -126:sc= -1.13 (180deg=-1.96) USER MOD Set 3.2: A 45 TYR OH : rot -5:sc= -4.83! USER MOD Single : A 1 GLY N :NH3+ -113:sc= 0.0943 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= -5.44! C(o=-5.4!,f=-5.9!) USER MOD Single : A 20 HIS :FLIP no HD1:sc= -0.028 F(o=-0.89,f=-0.028) USER MOD Single : A 22 ASN :FLIP amide:sc= -0.784 F(o=-2.2!,f=-0.78) USER MOD Single : A 33 ASN : amide:sc= -0.0752 X(o=-0.075,f=-0.56) USER MOD Single : A 34 GLN : amide:sc= -0.0061 X(o=-0.0061,f=-0.077) USER MOD Single : A 35 TYR OH : rot 180:sc=-0.00682 USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc=-0.00493 X(o=-0.0049,f=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -1.41 X(o=-1.4,f=-1.6!) USER MOD Single : A 54 HIS :FLIP no HD1:sc= -3.61 F(o=-5.7!,f=-3.6) USER MOD Single : A 55 ASN : amide:sc= -0.033 K(o=-0.033,f=-1.7!) USER MOD Single : A 57 SER OG : rot 24:sc= -0.57 USER MOD Single : A 62 MET CE :methyl -167:sc= -0.322 (180deg=-1.08) USER MOD Single : A 63 THR OG1 : rot -92:sc= 0.032 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ -139:sc= 0.046 (180deg=-0.0537) USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 HIS : no HE2:sc= -8.72! C(o=-8.7!,f=-13!) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 81 ASN : amide:sc= -0.0245 K(o=-0.025,f=-0.55) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 GLN : amide:sc= -6.09! C(o=-6.1!,f=-12!) USER MOD Single : A 88 SER OG : rot -129:sc= 0.36 USER MOD Single : A 89 CYS SG : rot 70:sc= -4.23 USER MOD Single : A 98 TYR OH : rot -14:sc= 0.748 USER MOD Single : A 99 HIS : no HD1:sc= -4.79! C(o=-4.8!,f=-7!) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot 105:sc= 1.29 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -30.254 2.851 -15.821 1.00 0.00 N ATOM 2 CA GLY A 1 -29.306 2.126 -14.992 1.00 0.00 C ATOM 3 C GLY A 1 -28.592 1.039 -15.799 1.00 0.00 C ATOM 4 O GLY A 1 -29.047 0.662 -16.877 1.00 0.00 O ATOM 0 H1 GLY A 1 -29.930 3.832 -15.942 1.00 0.00 H new ATOM 0 H2 GLY A 1 -30.323 2.392 -16.752 1.00 0.00 H new ATOM 0 H3 GLY A 1 -31.188 2.849 -15.364 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -28.573 2.819 -14.580 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -29.827 1.674 -14.148 1.00 0.00 H new ATOM 8 N SER A 2 -27.485 0.567 -15.244 1.00 0.00 N ATOM 9 CA SER A 2 -26.704 -0.469 -15.898 1.00 0.00 C ATOM 10 C SER A 2 -26.667 -1.726 -15.026 1.00 0.00 C ATOM 11 O SER A 2 -26.864 -1.651 -13.814 1.00 0.00 O ATOM 12 CB SER A 2 -25.283 0.015 -16.191 1.00 0.00 C ATOM 13 OG SER A 2 -24.597 0.408 -15.005 1.00 0.00 O ATOM 0 H SER A 2 -27.111 0.883 -14.349 1.00 0.00 H new ATOM 0 HA SER A 2 -27.181 -0.708 -16.849 1.00 0.00 H new ATOM 0 HB2 SER A 2 -24.725 -0.779 -16.686 1.00 0.00 H new ATOM 0 HB3 SER A 2 -25.322 0.856 -16.883 1.00 0.00 H new ATOM 0 HG SER A 2 -23.693 0.709 -15.234 1.00 0.00 H new ATOM 19 N SER A 3 -26.414 -2.852 -15.676 1.00 0.00 N ATOM 20 CA SER A 3 -26.349 -4.123 -14.975 1.00 0.00 C ATOM 21 C SER A 3 -25.095 -4.174 -14.100 1.00 0.00 C ATOM 22 O SER A 3 -24.123 -3.467 -14.360 1.00 0.00 O ATOM 23 CB SER A 3 -26.357 -5.295 -15.959 1.00 0.00 C ATOM 24 OG SER A 3 -27.121 -6.395 -15.471 1.00 0.00 O ATOM 0 H SER A 3 -26.251 -2.911 -16.681 1.00 0.00 H new ATOM 0 HA SER A 3 -27.231 -4.210 -14.341 1.00 0.00 H new ATOM 0 HB2 SER A 3 -26.766 -4.964 -16.914 1.00 0.00 H new ATOM 0 HB3 SER A 3 -25.333 -5.619 -16.146 1.00 0.00 H new ATOM 0 HG SER A 3 -27.104 -7.122 -16.128 1.00 0.00 H new ATOM 30 N GLY A 4 -25.159 -5.017 -13.079 1.00 0.00 N ATOM 31 CA GLY A 4 -24.042 -5.169 -12.163 1.00 0.00 C ATOM 32 C GLY A 4 -23.107 -6.291 -12.621 1.00 0.00 C ATOM 33 O GLY A 4 -22.748 -6.365 -13.795 1.00 0.00 O ATOM 0 H GLY A 4 -25.967 -5.602 -12.866 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -23.488 -4.232 -12.100 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -24.415 -5.387 -11.162 1.00 0.00 H new ATOM 37 N SER A 5 -22.739 -7.136 -11.669 1.00 0.00 N ATOM 38 CA SER A 5 -21.853 -8.250 -11.960 1.00 0.00 C ATOM 39 C SER A 5 -21.596 -9.060 -10.687 1.00 0.00 C ATOM 40 O SER A 5 -20.822 -8.643 -9.827 1.00 0.00 O ATOM 41 CB SER A 5 -20.531 -7.762 -12.554 1.00 0.00 C ATOM 42 OG SER A 5 -20.191 -8.462 -13.748 1.00 0.00 O ATOM 0 H SER A 5 -23.038 -7.071 -10.696 1.00 0.00 H new ATOM 0 HA SER A 5 -22.338 -8.889 -12.698 1.00 0.00 H new ATOM 0 HB2 SER A 5 -20.601 -6.695 -12.767 1.00 0.00 H new ATOM 0 HB3 SER A 5 -19.735 -7.889 -11.820 1.00 0.00 H new ATOM 0 HG SER A 5 -19.342 -8.120 -14.097 1.00 0.00 H new ATOM 48 N SER A 6 -22.261 -10.204 -10.607 1.00 0.00 N ATOM 49 CA SER A 6 -22.114 -11.075 -9.454 1.00 0.00 C ATOM 50 C SER A 6 -20.930 -12.021 -9.661 1.00 0.00 C ATOM 51 O SER A 6 -20.525 -12.276 -10.794 1.00 0.00 O ATOM 52 CB SER A 6 -23.394 -11.875 -9.201 1.00 0.00 C ATOM 53 OG SER A 6 -24.540 -11.032 -9.108 1.00 0.00 O ATOM 0 H SER A 6 -22.902 -10.547 -11.322 1.00 0.00 H new ATOM 0 HA SER A 6 -21.927 -10.454 -8.578 1.00 0.00 H new ATOM 0 HB2 SER A 6 -23.537 -12.594 -10.007 1.00 0.00 H new ATOM 0 HB3 SER A 6 -23.288 -12.446 -8.279 1.00 0.00 H new ATOM 0 HG SER A 6 -25.337 -11.580 -8.948 1.00 0.00 H new ATOM 59 N GLY A 7 -20.407 -12.516 -8.548 1.00 0.00 N ATOM 60 CA GLY A 7 -19.277 -13.429 -8.593 1.00 0.00 C ATOM 61 C GLY A 7 -19.172 -14.236 -7.297 1.00 0.00 C ATOM 62 O GLY A 7 -18.474 -13.835 -6.367 1.00 0.00 O ATOM 0 H GLY A 7 -20.745 -12.302 -7.610 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -19.386 -14.107 -9.440 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -18.357 -12.867 -8.751 1.00 0.00 H new ATOM 66 N LEU A 8 -19.877 -15.358 -7.278 1.00 0.00 N ATOM 67 CA LEU A 8 -19.872 -16.224 -6.112 1.00 0.00 C ATOM 68 C LEU A 8 -19.934 -17.684 -6.566 1.00 0.00 C ATOM 69 O LEU A 8 -20.691 -18.023 -7.474 1.00 0.00 O ATOM 70 CB LEU A 8 -20.993 -15.832 -5.148 1.00 0.00 C ATOM 71 CG LEU A 8 -20.724 -14.610 -4.267 1.00 0.00 C ATOM 72 CD1 LEU A 8 -21.959 -13.711 -4.184 1.00 0.00 C ATOM 73 CD2 LEU A 8 -20.228 -15.031 -2.882 1.00 0.00 C ATOM 0 H LEU A 8 -20.455 -15.687 -8.051 1.00 0.00 H new ATOM 0 HA LEU A 8 -18.945 -16.103 -5.552 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -21.896 -15.644 -5.729 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -21.202 -16.683 -4.500 1.00 0.00 H new ATOM 0 HG LEU A 8 -19.930 -14.024 -4.729 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -21.741 -12.850 -3.552 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -22.228 -13.369 -5.183 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -22.790 -14.273 -3.757 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -20.044 -14.144 -2.276 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -20.983 -15.651 -2.398 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -19.303 -15.599 -2.984 1.00 0.00 H new ATOM 85 N GLU A 9 -19.127 -18.508 -5.914 1.00 0.00 N ATOM 86 CA GLU A 9 -19.081 -19.924 -6.239 1.00 0.00 C ATOM 87 C GLU A 9 -18.509 -20.720 -5.065 1.00 0.00 C ATOM 88 O GLU A 9 -17.307 -20.675 -4.806 1.00 0.00 O ATOM 89 CB GLU A 9 -18.270 -20.167 -7.513 1.00 0.00 C ATOM 90 CG GLU A 9 -16.819 -19.715 -7.335 1.00 0.00 C ATOM 91 CD GLU A 9 -16.132 -19.531 -8.689 1.00 0.00 C ATOM 92 OE1 GLU A 9 -16.786 -18.955 -9.584 1.00 0.00 O ATOM 93 OE2 GLU A 9 -14.967 -19.971 -8.798 1.00 0.00 O ATOM 0 H GLU A 9 -18.500 -18.222 -5.162 1.00 0.00 H new ATOM 0 HA GLU A 9 -20.099 -20.268 -6.424 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -18.296 -21.226 -7.768 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -18.723 -19.628 -8.345 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -16.792 -18.778 -6.779 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -16.275 -20.452 -6.744 1.00 0.00 H new ATOM 100 N SER A 10 -19.397 -21.431 -4.385 1.00 0.00 N ATOM 101 CA SER A 10 -18.995 -22.236 -3.244 1.00 0.00 C ATOM 102 C SER A 10 -18.372 -23.549 -3.724 1.00 0.00 C ATOM 103 O SER A 10 -19.063 -24.558 -3.854 1.00 0.00 O ATOM 104 CB SER A 10 -20.184 -22.519 -2.324 1.00 0.00 C ATOM 105 OG SER A 10 -20.611 -21.350 -1.629 1.00 0.00 O ATOM 0 H SER A 10 -20.393 -21.466 -4.602 1.00 0.00 H new ATOM 0 HA SER A 10 -18.254 -21.676 -2.674 1.00 0.00 H new ATOM 0 HB2 SER A 10 -21.012 -22.914 -2.913 1.00 0.00 H new ATOM 0 HB3 SER A 10 -19.910 -23.289 -1.603 1.00 0.00 H new ATOM 0 HG SER A 10 -21.373 -21.571 -1.054 1.00 0.00 H new ATOM 111 N GLU A 11 -17.072 -23.493 -3.974 1.00 0.00 N ATOM 112 CA GLU A 11 -16.347 -24.664 -4.436 1.00 0.00 C ATOM 113 C GLU A 11 -14.866 -24.550 -4.071 1.00 0.00 C ATOM 114 O GLU A 11 -14.081 -23.969 -4.820 1.00 0.00 O ATOM 115 CB GLU A 11 -16.527 -24.861 -5.942 1.00 0.00 C ATOM 116 CG GLU A 11 -17.658 -25.850 -6.234 1.00 0.00 C ATOM 117 CD GLU A 11 -17.759 -26.140 -7.733 1.00 0.00 C ATOM 118 OE1 GLU A 11 -17.913 -25.159 -8.492 1.00 0.00 O ATOM 119 OE2 GLU A 11 -17.680 -27.336 -8.086 1.00 0.00 O ATOM 0 H GLU A 11 -16.502 -22.654 -3.865 1.00 0.00 H new ATOM 0 HA GLU A 11 -16.757 -25.542 -3.936 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -16.746 -23.903 -6.414 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -15.597 -25.227 -6.378 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -17.483 -26.779 -5.691 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -18.603 -25.444 -5.874 1.00 0.00 H new ATOM 126 N GLU A 12 -14.527 -25.114 -2.921 1.00 0.00 N ATOM 127 CA GLU A 12 -13.153 -25.083 -2.448 1.00 0.00 C ATOM 128 C GLU A 12 -12.667 -23.638 -2.325 1.00 0.00 C ATOM 129 O GLU A 12 -12.537 -22.935 -3.327 1.00 0.00 O ATOM 130 CB GLU A 12 -12.238 -25.893 -3.368 1.00 0.00 C ATOM 131 CG GLU A 12 -10.774 -25.750 -2.949 1.00 0.00 C ATOM 132 CD GLU A 12 -10.225 -27.074 -2.414 1.00 0.00 C ATOM 133 OE1 GLU A 12 -10.095 -28.008 -3.234 1.00 0.00 O ATOM 134 OE2 GLU A 12 -9.947 -27.122 -1.196 1.00 0.00 O ATOM 0 H GLU A 12 -15.180 -25.595 -2.303 1.00 0.00 H new ATOM 0 HA GLU A 12 -13.119 -25.543 -1.460 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -12.527 -26.944 -3.341 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -12.360 -25.555 -4.397 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -10.178 -25.423 -3.801 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -10.685 -24.979 -2.183 1.00 0.00 H new ATOM 141 N VAL A 13 -12.411 -23.236 -1.089 1.00 0.00 N ATOM 142 CA VAL A 13 -11.942 -21.887 -0.822 1.00 0.00 C ATOM 143 C VAL A 13 -10.993 -21.910 0.378 1.00 0.00 C ATOM 144 O VAL A 13 -11.110 -22.768 1.251 1.00 0.00 O ATOM 145 CB VAL A 13 -13.134 -20.948 -0.623 1.00 0.00 C ATOM 146 CG1 VAL A 13 -13.815 -21.204 0.723 1.00 0.00 C ATOM 147 CG2 VAL A 13 -12.706 -19.485 -0.752 1.00 0.00 C ATOM 0 H VAL A 13 -12.520 -23.821 -0.261 1.00 0.00 H new ATOM 0 HA VAL A 13 -11.381 -21.502 -1.674 1.00 0.00 H new ATOM 0 HB VAL A 13 -13.859 -21.155 -1.410 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -14.659 -20.524 0.839 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -14.171 -22.233 0.761 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -13.101 -21.038 1.530 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -13.571 -18.839 -0.606 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -11.953 -19.258 0.003 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -12.288 -19.314 -1.744 1.00 0.00 H new ATOM 157 N ASP A 14 -10.073 -20.957 0.382 1.00 0.00 N ATOM 158 CA ASP A 14 -9.103 -20.856 1.460 1.00 0.00 C ATOM 159 C ASP A 14 -9.839 -20.843 2.802 1.00 0.00 C ATOM 160 O ASP A 14 -11.040 -20.582 2.852 1.00 0.00 O ATOM 161 CB ASP A 14 -8.292 -19.564 1.353 1.00 0.00 C ATOM 162 CG ASP A 14 -7.305 -19.515 0.184 1.00 0.00 C ATOM 163 OD1 ASP A 14 -6.941 -20.610 -0.298 1.00 0.00 O ATOM 164 OD2 ASP A 14 -6.937 -18.384 -0.201 1.00 0.00 O ATOM 0 H ASP A 14 -9.978 -20.247 -0.344 1.00 0.00 H new ATOM 0 HA ASP A 14 -8.430 -21.710 1.389 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -8.983 -18.726 1.261 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -7.739 -19.422 2.282 1.00 0.00 H new ATOM 169 N LEU A 15 -9.087 -21.126 3.855 1.00 0.00 N ATOM 170 CA LEU A 15 -9.653 -21.150 5.193 1.00 0.00 C ATOM 171 C LEU A 15 -8.877 -20.180 6.087 1.00 0.00 C ATOM 172 O LEU A 15 -9.409 -19.151 6.501 1.00 0.00 O ATOM 173 CB LEU A 15 -9.696 -22.581 5.732 1.00 0.00 C ATOM 174 CG LEU A 15 -10.191 -22.742 7.171 1.00 0.00 C ATOM 175 CD1 LEU A 15 -9.027 -22.678 8.161 1.00 0.00 C ATOM 176 CD2 LEU A 15 -11.277 -21.715 7.495 1.00 0.00 C ATOM 0 H LEU A 15 -8.091 -21.341 3.809 1.00 0.00 H new ATOM 0 HA LEU A 15 -10.688 -20.810 5.174 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -10.337 -23.174 5.080 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -8.694 -23.004 5.664 1.00 0.00 H new ATOM 0 HG LEU A 15 -10.643 -23.729 7.269 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -9.406 -22.795 9.176 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -8.320 -23.478 7.943 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -8.525 -21.715 8.070 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -11.611 -21.851 8.523 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -10.874 -20.709 7.375 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -12.120 -21.852 6.818 1.00 0.00 H new ATOM 188 N ASN A 16 -7.632 -20.543 6.359 1.00 0.00 N ATOM 189 CA ASN A 16 -6.778 -19.717 7.196 1.00 0.00 C ATOM 190 C ASN A 16 -6.135 -18.625 6.340 1.00 0.00 C ATOM 191 O ASN A 16 -6.037 -17.475 6.766 1.00 0.00 O ATOM 192 CB ASN A 16 -5.657 -20.547 7.825 1.00 0.00 C ATOM 193 CG ASN A 16 -6.123 -21.977 8.105 1.00 0.00 C ATOM 194 OD1 ASN A 16 -6.608 -22.301 9.177 1.00 0.00 O ATOM 195 ND2 ASN A 16 -5.950 -22.811 7.084 1.00 0.00 N ATOM 0 H ASN A 16 -7.194 -21.398 6.015 1.00 0.00 H new ATOM 0 HA ASN A 16 -7.394 -19.285 7.985 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -4.795 -20.566 7.158 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -5.331 -20.079 8.754 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -6.230 -23.788 7.171 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -5.538 -22.474 6.214 1.00 0.00 H new ATOM 202 N ALA A 17 -5.712 -19.022 5.149 1.00 0.00 N ATOM 203 CA ALA A 17 -5.081 -18.091 4.229 1.00 0.00 C ATOM 204 C ALA A 17 -5.939 -16.829 4.119 1.00 0.00 C ATOM 205 O ALA A 17 -5.437 -15.717 4.277 1.00 0.00 O ATOM 206 CB ALA A 17 -4.870 -18.773 2.876 1.00 0.00 C ATOM 0 H ALA A 17 -5.794 -19.977 4.800 1.00 0.00 H new ATOM 0 HA ALA A 17 -4.100 -17.792 4.599 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -4.397 -18.074 2.186 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -4.230 -19.646 3.004 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -5.833 -19.086 2.472 1.00 0.00 H new ATOM 212 N GLY A 18 -7.218 -17.044 3.848 1.00 0.00 N ATOM 213 CA GLY A 18 -8.151 -15.937 3.715 1.00 0.00 C ATOM 214 C GLY A 18 -8.204 -15.108 4.999 1.00 0.00 C ATOM 215 O GLY A 18 -8.695 -13.980 4.994 1.00 0.00 O ATOM 0 H GLY A 18 -7.630 -17.968 3.717 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -7.852 -15.303 2.880 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -9.145 -16.320 3.484 1.00 0.00 H new ATOM 219 N LEU A 19 -7.692 -15.698 6.069 1.00 0.00 N ATOM 220 CA LEU A 19 -7.676 -15.027 7.358 1.00 0.00 C ATOM 221 C LEU A 19 -6.430 -14.143 7.452 1.00 0.00 C ATOM 222 O LEU A 19 -6.530 -12.954 7.750 1.00 0.00 O ATOM 223 CB LEU A 19 -7.794 -16.046 8.493 1.00 0.00 C ATOM 224 CG LEU A 19 -6.735 -15.950 9.594 1.00 0.00 C ATOM 225 CD1 LEU A 19 -6.673 -14.535 10.172 1.00 0.00 C ATOM 226 CD2 LEU A 19 -6.974 -17.002 10.678 1.00 0.00 C ATOM 0 H LEU A 19 -7.285 -16.633 6.070 1.00 0.00 H new ATOM 0 HA LEU A 19 -8.541 -14.371 7.458 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -8.777 -15.937 8.951 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -7.752 -17.046 8.062 1.00 0.00 H new ATOM 0 HG LEU A 19 -5.761 -16.160 9.151 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -5.913 -14.494 10.952 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -6.420 -13.830 9.381 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -7.642 -14.272 10.596 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -6.208 -16.912 11.448 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -7.956 -16.848 11.124 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -6.928 -17.997 10.236 1.00 0.00 H new ATOM 238 N HIS A 20 -5.286 -14.758 7.191 1.00 0.00 N ATOM 239 CA HIS A 20 -4.023 -14.042 7.243 1.00 0.00 C ATOM 240 C HIS A 20 -4.100 -12.801 6.352 1.00 0.00 C ATOM 241 O HIS A 20 -3.778 -11.697 6.789 1.00 0.00 O ATOM 242 CB HIS A 20 -2.860 -14.965 6.875 1.00 0.00 C ATOM 243 CG HIS A 20 -2.557 -16.017 7.916 1.00 0.00 C ATOM 244 ND1 HIS A 20 -3.340 -17.002 8.441 1.00 0.00 N flip ATOM 245 CD2 HIS A 20 -1.323 -16.127 8.533 1.00 0.00 C flip ATOM 246 CE1 HIS A 20 -2.623 -17.679 9.330 1.00 0.00 C flip ATOM 247 NE2 HIS A 20 -1.373 -17.137 9.389 1.00 0.00 N flip ATOM 0 H HIS A 20 -5.207 -15.744 6.943 1.00 0.00 H new ATOM 0 HA HIS A 20 -3.834 -13.704 8.262 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -3.086 -15.458 5.930 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -1.967 -14.361 6.713 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -0.466 -15.497 8.348 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -2.972 -18.520 9.911 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -0.610 -17.454 9.987 1.00 0.00 H new ATOM 255 N GLY A 21 -4.528 -13.024 5.118 1.00 0.00 N ATOM 256 CA GLY A 21 -4.651 -11.938 4.161 1.00 0.00 C ATOM 257 C GLY A 21 -3.330 -11.701 3.426 1.00 0.00 C ATOM 258 O GLY A 21 -2.472 -10.963 3.907 1.00 0.00 O ATOM 0 H GLY A 21 -4.794 -13.941 4.759 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -5.435 -12.171 3.441 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -4.953 -11.026 4.677 1.00 0.00 H new ATOM 262 N ASN A 22 -3.209 -12.342 2.273 1.00 0.00 N ATOM 263 CA ASN A 22 -2.007 -12.211 1.467 1.00 0.00 C ATOM 264 C ASN A 22 -2.145 -10.997 0.546 1.00 0.00 C ATOM 265 O ASN A 22 -2.307 -11.146 -0.664 1.00 0.00 O ATOM 266 CB ASN A 22 -1.793 -13.447 0.591 1.00 0.00 C ATOM 267 CG ASN A 22 -0.620 -14.285 1.103 1.00 0.00 C ATOM 268 OD1 ASN A 22 -0.973 -15.255 1.941 1.00 0.00 O flip ATOM 269 ND2 ASN A 22 0.530 -14.066 0.758 1.00 0.00 N flip ATOM 0 H ASN A 22 -3.923 -12.953 1.878 1.00 0.00 H new ATOM 0 HA ASN A 22 -1.159 -12.097 2.143 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -2.700 -14.052 0.581 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -1.604 -13.140 -0.438 1.00 0.00 H new ATOM 0 HD21 ASN A 22 0.732 -13.304 0.111 1.00 0.00 H new ATOM 0 HD22 ASN A 22 1.289 -14.645 1.117 1.00 0.00 H new ATOM 276 N TRP A 23 -2.077 -9.822 1.154 1.00 0.00 N ATOM 277 CA TRP A 23 -2.192 -8.583 0.404 1.00 0.00 C ATOM 278 C TRP A 23 -0.786 -8.013 0.212 1.00 0.00 C ATOM 279 O TRP A 23 -0.194 -7.481 1.150 1.00 0.00 O ATOM 280 CB TRP A 23 -3.143 -7.607 1.100 1.00 0.00 C ATOM 281 CG TRP A 23 -4.625 -7.924 0.890 1.00 0.00 C ATOM 282 CD1 TRP A 23 -5.545 -8.219 1.818 1.00 0.00 C ATOM 283 CD2 TRP A 23 -5.324 -7.965 -0.371 1.00 0.00 C ATOM 284 NE1 TRP A 23 -6.781 -8.447 1.250 1.00 0.00 N ATOM 285 CE2 TRP A 23 -6.643 -8.287 -0.124 1.00 0.00 C ATOM 286 CE3 TRP A 23 -4.858 -7.737 -1.678 1.00 0.00 C ATOM 287 CZ2 TRP A 23 -7.604 -8.411 -1.134 1.00 0.00 C ATOM 288 CZ3 TRP A 23 -5.831 -7.865 -2.677 1.00 0.00 C ATOM 289 CH2 TRP A 23 -7.163 -8.189 -2.444 1.00 0.00 C ATOM 0 H TRP A 23 -1.944 -9.702 2.158 1.00 0.00 H new ATOM 0 HA TRP A 23 -2.630 -8.766 -0.577 1.00 0.00 H new ATOM 0 HB2 TRP A 23 -2.930 -7.608 2.169 1.00 0.00 H new ATOM 0 HB3 TRP A 23 -2.943 -6.599 0.736 1.00 0.00 H new ATOM 0 HD1 TRP A 23 -5.344 -8.272 2.878 1.00 0.00 H new ATOM 0 HE1 TRP A 23 -7.639 -8.689 1.747 1.00 0.00 H new ATOM 0 HE3 TRP A 23 -3.831 -7.483 -1.894 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 -8.631 -8.664 -0.915 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 -5.526 -7.701 -3.700 1.00 0.00 H new ATOM 0 HH2 TRP A 23 -7.854 -8.269 -3.270 1.00 0.00 H new ATOM 300 N THR A 24 -0.290 -8.144 -1.010 1.00 0.00 N ATOM 301 CA THR A 24 1.036 -7.649 -1.337 1.00 0.00 C ATOM 302 C THR A 24 0.948 -6.243 -1.934 1.00 0.00 C ATOM 303 O THR A 24 -0.053 -5.889 -2.554 1.00 0.00 O ATOM 304 CB THR A 24 1.703 -8.664 -2.268 1.00 0.00 C ATOM 305 OG1 THR A 24 1.084 -8.436 -3.531 1.00 0.00 O ATOM 306 CG2 THR A 24 1.330 -10.107 -1.925 1.00 0.00 C ATOM 0 H THR A 24 -0.783 -8.586 -1.786 1.00 0.00 H new ATOM 0 HA THR A 24 1.653 -7.551 -0.444 1.00 0.00 H new ATOM 0 HB THR A 24 2.785 -8.547 -2.216 1.00 0.00 H new ATOM 0 HG1 THR A 24 0.625 -9.251 -3.822 1.00 0.00 H new ATOM 0 HG21 THR A 24 1.830 -10.786 -2.616 1.00 0.00 H new ATOM 0 HG22 THR A 24 1.643 -10.331 -0.905 1.00 0.00 H new ATOM 0 HG23 THR A 24 0.251 -10.234 -2.009 1.00 0.00 H new ATOM 314 N LEU A 25 2.011 -5.479 -1.725 1.00 0.00 N ATOM 315 CA LEU A 25 2.066 -4.120 -2.234 1.00 0.00 C ATOM 316 C LEU A 25 1.344 -4.054 -3.582 1.00 0.00 C ATOM 317 O LEU A 25 0.508 -3.179 -3.800 1.00 0.00 O ATOM 318 CB LEU A 25 3.514 -3.627 -2.288 1.00 0.00 C ATOM 319 CG LEU A 25 4.020 -2.896 -1.043 1.00 0.00 C ATOM 320 CD1 LEU A 25 5.545 -2.975 -0.943 1.00 0.00 C ATOM 321 CD2 LEU A 25 3.518 -1.451 -1.014 1.00 0.00 C ATOM 0 H LEU A 25 2.840 -5.776 -1.210 1.00 0.00 H new ATOM 0 HA LEU A 25 1.546 -3.440 -1.560 1.00 0.00 H new ATOM 0 HB2 LEU A 25 4.162 -4.484 -2.470 1.00 0.00 H new ATOM 0 HB3 LEU A 25 3.618 -2.960 -3.144 1.00 0.00 H new ATOM 0 HG LEU A 25 3.613 -3.396 -0.164 1.00 0.00 H new ATOM 0 HD11 LEU A 25 5.879 -2.448 -0.049 1.00 0.00 H new ATOM 0 HD12 LEU A 25 5.852 -4.019 -0.884 1.00 0.00 H new ATOM 0 HD13 LEU A 25 5.992 -2.515 -1.824 1.00 0.00 H new ATOM 0 HD21 LEU A 25 3.892 -0.954 -0.119 1.00 0.00 H new ATOM 0 HD22 LEU A 25 3.876 -0.924 -1.898 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.428 -1.445 -1.004 1.00 0.00 H new ATOM 333 N GLU A 26 1.693 -4.992 -4.450 1.00 0.00 N ATOM 334 CA GLU A 26 1.088 -5.052 -5.770 1.00 0.00 C ATOM 335 C GLU A 26 -0.427 -5.226 -5.652 1.00 0.00 C ATOM 336 O GLU A 26 -1.190 -4.354 -6.065 1.00 0.00 O ATOM 337 CB GLU A 26 1.706 -6.175 -6.606 1.00 0.00 C ATOM 338 CG GLU A 26 2.643 -5.611 -7.675 1.00 0.00 C ATOM 339 CD GLU A 26 2.060 -5.808 -9.075 1.00 0.00 C ATOM 340 OE1 GLU A 26 1.524 -6.911 -9.317 1.00 0.00 O ATOM 341 OE2 GLU A 26 2.162 -4.851 -9.873 1.00 0.00 O ATOM 0 H GLU A 26 2.387 -5.716 -4.265 1.00 0.00 H new ATOM 0 HA GLU A 26 1.287 -4.111 -6.283 1.00 0.00 H new ATOM 0 HB2 GLU A 26 2.257 -6.855 -5.957 1.00 0.00 H new ATOM 0 HB3 GLU A 26 0.916 -6.757 -7.080 1.00 0.00 H new ATOM 0 HG2 GLU A 26 2.811 -4.549 -7.493 1.00 0.00 H new ATOM 0 HG3 GLU A 26 3.614 -6.103 -7.609 1.00 0.00 H new ATOM 348 N ASN A 27 -0.819 -6.358 -5.086 1.00 0.00 N ATOM 349 CA ASN A 27 -2.229 -6.658 -4.909 1.00 0.00 C ATOM 350 C ASN A 27 -2.921 -5.462 -4.251 1.00 0.00 C ATOM 351 O ASN A 27 -3.825 -4.866 -4.834 1.00 0.00 O ATOM 352 CB ASN A 27 -2.424 -7.875 -4.002 1.00 0.00 C ATOM 353 CG ASN A 27 -1.576 -9.055 -4.479 1.00 0.00 C ATOM 354 OD1 ASN A 27 -0.903 -9.721 -3.709 1.00 0.00 O ATOM 355 ND2 ASN A 27 -1.645 -9.277 -5.788 1.00 0.00 N ATOM 0 H ASN A 27 -0.184 -7.079 -4.744 1.00 0.00 H new ATOM 0 HA ASN A 27 -2.655 -6.868 -5.890 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -2.152 -7.617 -2.978 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -3.476 -8.160 -3.990 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -1.115 -10.043 -6.204 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -2.228 -8.682 -6.376 1.00 0.00 H new ATOM 362 N ALA A 28 -2.470 -5.148 -3.045 1.00 0.00 N ATOM 363 CA ALA A 28 -3.034 -4.034 -2.302 1.00 0.00 C ATOM 364 C ALA A 28 -3.351 -2.890 -3.268 1.00 0.00 C ATOM 365 O ALA A 28 -4.515 -2.541 -3.461 1.00 0.00 O ATOM 366 CB ALA A 28 -2.063 -3.612 -1.198 1.00 0.00 C ATOM 0 H ALA A 28 -1.721 -5.646 -2.564 1.00 0.00 H new ATOM 0 HA ALA A 28 -3.967 -4.328 -1.821 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -2.486 -2.776 -0.641 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -1.894 -4.450 -0.522 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -1.116 -3.308 -1.643 1.00 0.00 H new ATOM 372 N LYS A 29 -2.296 -2.339 -3.848 1.00 0.00 N ATOM 373 CA LYS A 29 -2.447 -1.242 -4.789 1.00 0.00 C ATOM 374 C LYS A 29 -3.680 -1.490 -5.661 1.00 0.00 C ATOM 375 O LYS A 29 -4.707 -0.833 -5.491 1.00 0.00 O ATOM 376 CB LYS A 29 -1.159 -1.040 -5.589 1.00 0.00 C ATOM 377 CG LYS A 29 -1.382 -0.074 -6.754 1.00 0.00 C ATOM 378 CD LYS A 29 -0.244 0.945 -6.846 1.00 0.00 C ATOM 379 CE LYS A 29 -0.732 2.347 -6.476 1.00 0.00 C ATOM 380 NZ LYS A 29 -0.874 2.475 -5.008 1.00 0.00 N ATOM 0 H LYS A 29 -1.333 -2.631 -3.685 1.00 0.00 H new ATOM 0 HA LYS A 29 -2.614 -0.305 -4.258 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -0.378 -0.652 -4.935 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -0.809 -2.000 -5.970 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -1.451 -0.633 -7.687 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -2.331 0.446 -6.624 1.00 0.00 H new ATOM 0 HD2 LYS A 29 0.567 0.651 -6.180 1.00 0.00 H new ATOM 0 HD3 LYS A 29 0.161 0.952 -7.858 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -0.028 3.093 -6.846 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -1.689 2.545 -6.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -1.834 2.802 -4.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -0.707 1.551 -4.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -0.180 3.162 -4.651 1.00 0.00 H new ATOM 394 N ALA A 30 -3.538 -2.438 -6.574 1.00 0.00 N ATOM 395 CA ALA A 30 -4.628 -2.781 -7.473 1.00 0.00 C ATOM 396 C ALA A 30 -5.944 -2.784 -6.694 1.00 0.00 C ATOM 397 O ALA A 30 -6.833 -1.979 -6.967 1.00 0.00 O ATOM 398 CB ALA A 30 -4.339 -4.130 -8.135 1.00 0.00 C ATOM 0 H ALA A 30 -2.685 -2.980 -6.712 1.00 0.00 H new ATOM 0 HA ALA A 30 -4.717 -2.040 -8.268 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -5.156 -4.387 -8.809 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -3.409 -4.066 -8.700 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -4.246 -4.899 -7.368 1.00 0.00 H new ATOM 404 N ARG A 31 -6.027 -3.698 -5.738 1.00 0.00 N ATOM 405 CA ARG A 31 -7.220 -3.817 -4.917 1.00 0.00 C ATOM 406 C ARG A 31 -7.784 -2.431 -4.597 1.00 0.00 C ATOM 407 O ARG A 31 -8.936 -2.137 -4.914 1.00 0.00 O ATOM 408 CB ARG A 31 -6.919 -4.551 -3.610 1.00 0.00 C ATOM 409 CG ARG A 31 -8.199 -4.793 -2.808 1.00 0.00 C ATOM 410 CD ARG A 31 -9.284 -5.423 -3.685 1.00 0.00 C ATOM 411 NE ARG A 31 -10.442 -5.818 -2.851 1.00 0.00 N ATOM 412 CZ ARG A 31 -11.401 -6.663 -3.251 1.00 0.00 C ATOM 413 NH1 ARG A 31 -11.348 -7.207 -4.475 1.00 0.00 N ATOM 414 NH2 ARG A 31 -12.415 -6.964 -2.428 1.00 0.00 N ATOM 0 H ARG A 31 -5.287 -4.363 -5.514 1.00 0.00 H new ATOM 0 HA ARG A 31 -7.955 -4.391 -5.482 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -6.436 -5.504 -3.827 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -6.218 -3.967 -3.014 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -7.985 -5.447 -1.962 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -8.560 -3.850 -2.398 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -9.601 -4.715 -4.451 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -8.884 -6.295 -4.203 1.00 0.00 H new ATOM 0 HE ARG A 31 -10.514 -5.422 -1.914 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -10.577 -6.977 -5.102 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -12.079 -7.851 -4.779 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -12.456 -6.550 -1.497 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -13.145 -7.608 -2.733 1.00 0.00 H new ATOM 428 N LEU A 32 -6.946 -1.616 -3.974 1.00 0.00 N ATOM 429 CA LEU A 32 -7.346 -0.268 -3.607 1.00 0.00 C ATOM 430 C LEU A 32 -8.147 0.351 -4.755 1.00 0.00 C ATOM 431 O LEU A 32 -9.273 0.805 -4.557 1.00 0.00 O ATOM 432 CB LEU A 32 -6.128 0.559 -3.192 1.00 0.00 C ATOM 433 CG LEU A 32 -6.425 1.918 -2.555 1.00 0.00 C ATOM 434 CD1 LEU A 32 -7.246 1.755 -1.274 1.00 0.00 C ATOM 435 CD2 LEU A 32 -5.134 2.703 -2.312 1.00 0.00 C ATOM 0 H LEU A 32 -5.991 -1.863 -3.714 1.00 0.00 H new ATOM 0 HA LEU A 32 -8.000 -0.289 -2.735 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.538 -0.028 -2.489 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -5.506 0.721 -4.073 1.00 0.00 H new ATOM 0 HG LEU A 32 -7.029 2.498 -3.253 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -7.443 2.736 -0.841 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -8.191 1.264 -1.507 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -6.689 1.149 -0.560 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -5.373 3.665 -1.859 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -4.485 2.138 -1.643 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -4.623 2.866 -3.261 1.00 0.00 H new ATOM 447 N ASN A 33 -7.535 0.350 -5.929 1.00 0.00 N ATOM 448 CA ASN A 33 -8.176 0.906 -7.109 1.00 0.00 C ATOM 449 C ASN A 33 -9.500 0.180 -7.353 1.00 0.00 C ATOM 450 O ASN A 33 -10.494 0.802 -7.725 1.00 0.00 O ATOM 451 CB ASN A 33 -7.301 0.724 -8.350 1.00 0.00 C ATOM 452 CG ASN A 33 -6.454 1.971 -8.612 1.00 0.00 C ATOM 453 OD1 ASN A 33 -6.918 3.097 -8.529 1.00 0.00 O ATOM 454 ND2 ASN A 33 -5.190 1.710 -8.933 1.00 0.00 N ATOM 0 H ASN A 33 -6.601 -0.027 -6.089 1.00 0.00 H new ATOM 0 HA ASN A 33 -8.337 1.970 -6.936 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -6.650 -0.140 -8.217 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -7.930 0.519 -9.216 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -4.545 2.476 -9.127 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -4.866 0.744 -8.985 1.00 0.00 H new ATOM 461 N GLN A 34 -9.472 -1.126 -7.135 1.00 0.00 N ATOM 462 CA GLN A 34 -10.657 -1.944 -7.327 1.00 0.00 C ATOM 463 C GLN A 34 -11.769 -1.499 -6.373 1.00 0.00 C ATOM 464 O GLN A 34 -12.927 -1.390 -6.772 1.00 0.00 O ATOM 465 CB GLN A 34 -10.336 -3.428 -7.141 1.00 0.00 C ATOM 466 CG GLN A 34 -10.208 -4.135 -8.492 1.00 0.00 C ATOM 467 CD GLN A 34 -11.386 -5.082 -8.729 1.00 0.00 C ATOM 468 OE1 GLN A 34 -12.538 -4.750 -8.501 1.00 0.00 O ATOM 469 NE2 GLN A 34 -11.035 -6.276 -9.198 1.00 0.00 N ATOM 0 H GLN A 34 -8.646 -1.639 -6.827 1.00 0.00 H new ATOM 0 HA GLN A 34 -11.006 -1.808 -8.350 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -9.407 -3.535 -6.581 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -11.120 -3.902 -6.551 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -10.165 -3.395 -9.291 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -9.274 -4.695 -8.526 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -10.052 -6.489 -9.367 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -11.749 -6.979 -9.389 1.00 0.00 H new ATOM 478 N TYR A 35 -11.376 -1.255 -5.132 1.00 0.00 N ATOM 479 CA TYR A 35 -12.325 -0.825 -4.118 1.00 0.00 C ATOM 480 C TYR A 35 -12.960 0.514 -4.495 1.00 0.00 C ATOM 481 O TYR A 35 -14.118 0.770 -4.168 1.00 0.00 O ATOM 482 CB TYR A 35 -11.516 -0.648 -2.832 1.00 0.00 C ATOM 483 CG TYR A 35 -12.289 0.030 -1.699 1.00 0.00 C ATOM 484 CD1 TYR A 35 -13.384 -0.595 -1.140 1.00 0.00 C ATOM 485 CD2 TYR A 35 -11.890 1.268 -1.236 1.00 0.00 C ATOM 486 CE1 TYR A 35 -14.112 0.043 -0.074 1.00 0.00 C ATOM 487 CE2 TYR A 35 -12.617 1.906 -0.170 1.00 0.00 C ATOM 488 CZ TYR A 35 -13.693 1.262 0.359 1.00 0.00 C ATOM 489 OH TYR A 35 -14.380 1.865 1.366 1.00 0.00 O ATOM 0 H TYR A 35 -10.414 -1.347 -4.805 1.00 0.00 H new ATOM 0 HA TYR A 35 -13.128 -1.554 -4.010 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -11.176 -1.626 -2.491 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -10.625 -0.060 -3.053 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -13.696 -1.564 -1.502 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -11.033 1.758 -1.674 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -14.971 -0.436 0.372 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -12.315 2.874 0.202 1.00 0.00 H new ATOM 0 HH TYR A 35 -13.967 2.730 1.572 1.00 0.00 H new ATOM 499 N PHE A 36 -12.175 1.335 -5.177 1.00 0.00 N ATOM 500 CA PHE A 36 -12.646 2.642 -5.602 1.00 0.00 C ATOM 501 C PHE A 36 -13.432 2.542 -6.911 1.00 0.00 C ATOM 502 O PHE A 36 -14.220 3.429 -7.235 1.00 0.00 O ATOM 503 CB PHE A 36 -11.409 3.512 -5.829 1.00 0.00 C ATOM 504 CG PHE A 36 -10.595 3.779 -4.561 1.00 0.00 C ATOM 505 CD1 PHE A 36 -11.198 3.732 -3.343 1.00 0.00 C ATOM 506 CD2 PHE A 36 -9.268 4.063 -4.651 1.00 0.00 C ATOM 507 CE1 PHE A 36 -10.443 3.979 -2.166 1.00 0.00 C ATOM 508 CE2 PHE A 36 -8.513 4.310 -3.474 1.00 0.00 C ATOM 509 CZ PHE A 36 -9.116 4.263 -2.257 1.00 0.00 C ATOM 0 H PHE A 36 -11.215 1.120 -5.446 1.00 0.00 H new ATOM 0 HA PHE A 36 -13.306 3.064 -4.844 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -10.767 3.028 -6.565 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -11.721 4.465 -6.256 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -12.252 3.507 -3.271 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -8.788 4.101 -5.618 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -10.922 3.941 -1.199 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -7.459 4.535 -3.546 1.00 0.00 H new ATOM 0 HZ PHE A 36 -8.541 4.451 -1.362 1.00 0.00 H new ATOM 519 N GLN A 37 -13.189 1.455 -7.628 1.00 0.00 N ATOM 520 CA GLN A 37 -13.864 1.228 -8.895 1.00 0.00 C ATOM 521 C GLN A 37 -15.205 0.529 -8.664 1.00 0.00 C ATOM 522 O GLN A 37 -16.177 0.794 -9.370 1.00 0.00 O ATOM 523 CB GLN A 37 -12.982 0.421 -9.849 1.00 0.00 C ATOM 524 CG GLN A 37 -12.010 1.332 -10.602 1.00 0.00 C ATOM 525 CD GLN A 37 -12.249 1.260 -12.112 1.00 0.00 C ATOM 526 OE1 GLN A 37 -11.780 0.367 -12.798 1.00 0.00 O ATOM 527 NE2 GLN A 37 -13.002 2.247 -12.588 1.00 0.00 N ATOM 0 H GLN A 37 -12.534 0.722 -7.356 1.00 0.00 H new ATOM 0 HA GLN A 37 -14.056 2.195 -9.361 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -12.423 -0.328 -9.287 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -13.608 -0.117 -10.561 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -12.130 2.360 -10.260 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -10.984 1.039 -10.378 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -13.363 2.963 -11.957 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -13.219 2.288 -13.584 1.00 0.00 H new ATOM 536 N LYS A 38 -15.215 -0.350 -7.673 1.00 0.00 N ATOM 537 CA LYS A 38 -16.421 -1.090 -7.341 1.00 0.00 C ATOM 538 C LYS A 38 -17.402 -0.161 -6.623 1.00 0.00 C ATOM 539 O LYS A 38 -18.526 0.034 -7.081 1.00 0.00 O ATOM 540 CB LYS A 38 -16.075 -2.350 -6.546 1.00 0.00 C ATOM 541 CG LYS A 38 -15.780 -3.525 -7.482 1.00 0.00 C ATOM 542 CD LYS A 38 -17.074 -4.211 -7.924 1.00 0.00 C ATOM 543 CE LYS A 38 -17.226 -5.579 -7.255 1.00 0.00 C ATOM 544 NZ LYS A 38 -18.583 -6.121 -7.486 1.00 0.00 N ATOM 0 H LYS A 38 -14.407 -0.567 -7.089 1.00 0.00 H new ATOM 0 HA LYS A 38 -16.915 -1.439 -8.248 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -15.209 -2.158 -5.913 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -16.903 -2.606 -5.885 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -15.235 -3.170 -8.357 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -15.137 -4.245 -6.976 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -17.928 -3.582 -7.672 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -17.075 -4.330 -9.007 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -16.480 -6.269 -7.651 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -17.041 -5.489 -6.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -18.669 -7.049 -7.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -19.289 -5.470 -7.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -18.746 -6.225 -8.508 1.00 0.00 H new ATOM 558 N GLU A 39 -16.940 0.388 -5.509 1.00 0.00 N ATOM 559 CA GLU A 39 -17.762 1.292 -4.723 1.00 0.00 C ATOM 560 C GLU A 39 -17.964 2.612 -5.471 1.00 0.00 C ATOM 561 O GLU A 39 -18.820 3.415 -5.101 1.00 0.00 O ATOM 562 CB GLU A 39 -17.148 1.532 -3.342 1.00 0.00 C ATOM 563 CG GLU A 39 -17.678 0.521 -2.323 1.00 0.00 C ATOM 564 CD GLU A 39 -18.427 1.226 -1.191 1.00 0.00 C ATOM 565 OE1 GLU A 39 -19.373 1.976 -1.516 1.00 0.00 O ATOM 566 OE2 GLU A 39 -18.037 0.999 -0.025 1.00 0.00 O ATOM 0 H GLU A 39 -16.006 0.224 -5.132 1.00 0.00 H new ATOM 0 HA GLU A 39 -18.737 0.828 -4.574 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -16.062 1.456 -3.404 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -17.378 2.544 -3.009 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -18.343 -0.186 -2.819 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -16.849 -0.055 -1.912 1.00 0.00 H new ATOM 573 N LYS A 40 -17.161 2.796 -6.508 1.00 0.00 N ATOM 574 CA LYS A 40 -17.240 4.005 -7.311 1.00 0.00 C ATOM 575 C LYS A 40 -16.680 5.181 -6.510 1.00 0.00 C ATOM 576 O LYS A 40 -17.080 6.326 -6.718 1.00 0.00 O ATOM 577 CB LYS A 40 -18.670 4.225 -7.808 1.00 0.00 C ATOM 578 CG LYS A 40 -18.738 4.145 -9.335 1.00 0.00 C ATOM 579 CD LYS A 40 -20.006 3.419 -9.790 1.00 0.00 C ATOM 580 CE LYS A 40 -20.920 4.357 -10.582 1.00 0.00 C ATOM 581 NZ LYS A 40 -22.299 3.823 -10.623 1.00 0.00 N ATOM 0 H LYS A 40 -16.452 2.128 -6.811 1.00 0.00 H new ATOM 0 HA LYS A 40 -16.627 3.908 -8.207 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -19.330 3.476 -7.371 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -19.029 5.199 -7.475 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -18.719 5.150 -9.757 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -17.860 3.623 -9.715 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -19.737 2.561 -10.406 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -20.540 3.033 -8.922 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -20.920 5.346 -10.124 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -20.539 4.475 -11.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -22.906 4.471 -11.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -22.296 2.889 -11.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -22.665 3.733 -9.654 1.00 0.00 H new ATOM 595 N ILE A 41 -15.762 4.860 -5.610 1.00 0.00 N ATOM 596 CA ILE A 41 -15.142 5.876 -4.776 1.00 0.00 C ATOM 597 C ILE A 41 -13.994 6.531 -5.546 1.00 0.00 C ATOM 598 O ILE A 41 -13.548 6.007 -6.566 1.00 0.00 O ATOM 599 CB ILE A 41 -14.721 5.282 -3.431 1.00 0.00 C ATOM 600 CG1 ILE A 41 -15.941 4.849 -2.616 1.00 0.00 C ATOM 601 CG2 ILE A 41 -13.830 6.255 -2.656 1.00 0.00 C ATOM 602 CD1 ILE A 41 -15.546 3.855 -1.522 1.00 0.00 C ATOM 0 H ILE A 41 -15.432 3.910 -5.440 1.00 0.00 H new ATOM 0 HA ILE A 41 -15.858 6.663 -4.540 1.00 0.00 H new ATOM 0 HB ILE A 41 -14.129 4.387 -3.624 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -16.410 5.723 -2.165 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -16.680 4.394 -3.275 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -13.545 5.808 -1.704 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -12.934 6.470 -3.238 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -14.375 7.181 -2.473 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -16.432 3.564 -0.958 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -15.099 2.971 -1.977 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -14.825 4.321 -0.850 1.00 0.00 H new ATOM 614 N GLN A 42 -13.548 7.666 -5.029 1.00 0.00 N ATOM 615 CA GLN A 42 -12.460 8.397 -5.655 1.00 0.00 C ATOM 616 C GLN A 42 -11.383 8.734 -4.622 1.00 0.00 C ATOM 617 O GLN A 42 -11.690 9.227 -3.537 1.00 0.00 O ATOM 618 CB GLN A 42 -12.975 9.663 -6.343 1.00 0.00 C ATOM 619 CG GLN A 42 -13.755 9.318 -7.613 1.00 0.00 C ATOM 620 CD GLN A 42 -14.125 10.583 -8.390 1.00 0.00 C ATOM 621 OE1 GLN A 42 -14.734 11.505 -7.873 1.00 0.00 O ATOM 622 NE2 GLN A 42 -13.723 10.576 -9.658 1.00 0.00 N ATOM 0 H GLN A 42 -13.921 8.098 -4.183 1.00 0.00 H new ATOM 0 HA GLN A 42 -12.015 7.762 -6.421 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -13.616 10.218 -5.658 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -12.136 10.313 -6.592 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -13.157 8.661 -8.244 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -14.660 8.770 -7.351 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -13.217 9.771 -10.028 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -13.921 11.375 -10.260 1.00 0.00 H new ATOM 631 N GLY A 43 -10.142 8.455 -4.995 1.00 0.00 N ATOM 632 CA GLY A 43 -9.018 8.723 -4.114 1.00 0.00 C ATOM 633 C GLY A 43 -7.731 8.930 -4.915 1.00 0.00 C ATOM 634 O GLY A 43 -7.436 8.164 -5.832 1.00 0.00 O ATOM 0 H GLY A 43 -9.891 8.046 -5.895 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -9.224 9.610 -3.515 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -8.889 7.892 -3.420 1.00 0.00 H new ATOM 638 N GLU A 44 -6.999 9.969 -4.540 1.00 0.00 N ATOM 639 CA GLU A 44 -5.751 10.287 -5.212 1.00 0.00 C ATOM 640 C GLU A 44 -4.588 10.243 -4.220 1.00 0.00 C ATOM 641 O GLU A 44 -4.797 10.312 -3.010 1.00 0.00 O ATOM 642 CB GLU A 44 -5.831 11.650 -5.903 1.00 0.00 C ATOM 643 CG GLU A 44 -6.236 11.498 -7.371 1.00 0.00 C ATOM 644 CD GLU A 44 -5.396 12.409 -8.268 1.00 0.00 C ATOM 645 OE1 GLU A 44 -5.124 13.546 -7.826 1.00 0.00 O ATOM 646 OE2 GLU A 44 -5.046 11.949 -9.376 1.00 0.00 O ATOM 0 H GLU A 44 -7.247 10.601 -3.779 1.00 0.00 H new ATOM 0 HA GLU A 44 -5.575 9.536 -5.982 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -6.554 12.282 -5.386 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -4.865 12.152 -5.839 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -6.111 10.461 -7.681 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -7.292 11.740 -7.488 1.00 0.00 H new ATOM 653 N TYR A 45 -3.387 10.128 -4.768 1.00 0.00 N ATOM 654 CA TYR A 45 -2.190 10.074 -3.946 1.00 0.00 C ATOM 655 C TYR A 45 -1.455 11.416 -3.959 1.00 0.00 C ATOM 656 O TYR A 45 -1.159 11.955 -5.025 1.00 0.00 O ATOM 657 CB TYR A 45 -1.293 9.008 -4.577 1.00 0.00 C ATOM 658 CG TYR A 45 -1.824 7.581 -4.430 1.00 0.00 C ATOM 659 CD1 TYR A 45 -2.677 7.060 -5.381 1.00 0.00 C ATOM 660 CD2 TYR A 45 -1.449 6.814 -3.346 1.00 0.00 C ATOM 661 CE1 TYR A 45 -3.177 5.717 -5.243 1.00 0.00 C ATOM 662 CE2 TYR A 45 -1.949 5.470 -3.207 1.00 0.00 C ATOM 663 CZ TYR A 45 -2.788 4.988 -4.162 1.00 0.00 C ATOM 664 OH TYR A 45 -3.260 3.719 -4.031 1.00 0.00 O ATOM 0 H TYR A 45 -3.217 10.071 -5.772 1.00 0.00 H new ATOM 0 HA TYR A 45 -2.445 9.846 -2.911 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -1.171 9.232 -5.637 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -0.304 9.065 -4.123 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -2.970 7.660 -6.230 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -0.781 7.221 -2.602 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -3.845 5.298 -5.981 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -1.664 4.859 -2.363 1.00 0.00 H new ATOM 0 HH TYR A 45 -3.910 3.537 -4.741 1.00 0.00 H new ATOM 674 N LYS A 46 -1.182 11.916 -2.764 1.00 0.00 N ATOM 675 CA LYS A 46 -0.487 13.185 -2.624 1.00 0.00 C ATOM 676 C LYS A 46 1.004 12.923 -2.400 1.00 0.00 C ATOM 677 O LYS A 46 1.409 12.514 -1.313 1.00 0.00 O ATOM 678 CB LYS A 46 -1.134 14.032 -1.527 1.00 0.00 C ATOM 679 CG LYS A 46 -0.480 15.413 -1.443 1.00 0.00 C ATOM 680 CD LYS A 46 -1.365 16.480 -2.089 1.00 0.00 C ATOM 681 CE LYS A 46 -2.302 17.113 -1.058 1.00 0.00 C ATOM 682 NZ LYS A 46 -2.445 18.564 -1.310 1.00 0.00 N ATOM 0 H LYS A 46 -1.429 11.466 -1.883 1.00 0.00 H new ATOM 0 HA LYS A 46 -0.574 13.770 -3.539 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -2.200 14.142 -1.728 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -1.042 13.523 -0.568 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -0.298 15.670 -0.400 1.00 0.00 H new ATOM 0 HG3 LYS A 46 0.490 15.391 -1.940 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -0.741 17.251 -2.540 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -1.951 16.034 -2.893 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -3.279 16.632 -1.102 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -1.911 16.949 -0.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -3.084 18.978 -0.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -1.513 19.021 -1.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -2.839 18.714 -2.261 1.00 0.00 H new ATOM 696 N TYR A 47 1.779 13.169 -3.446 1.00 0.00 N ATOM 697 CA TYR A 47 3.216 12.965 -3.377 1.00 0.00 C ATOM 698 C TYR A 47 3.929 14.239 -2.922 1.00 0.00 C ATOM 699 O TYR A 47 3.823 15.280 -3.569 1.00 0.00 O ATOM 700 CB TYR A 47 3.662 12.626 -4.801 1.00 0.00 C ATOM 701 CG TYR A 47 2.888 11.470 -5.437 1.00 0.00 C ATOM 702 CD1 TYR A 47 2.526 10.378 -4.674 1.00 0.00 C ATOM 703 CD2 TYR A 47 2.551 11.518 -6.775 1.00 0.00 C ATOM 704 CE1 TYR A 47 1.797 9.290 -5.273 1.00 0.00 C ATOM 705 CE2 TYR A 47 1.822 10.430 -7.373 1.00 0.00 C ATOM 706 CZ TYR A 47 1.481 9.370 -6.593 1.00 0.00 C ATOM 707 OH TYR A 47 0.793 8.342 -7.158 1.00 0.00 O ATOM 0 H TYR A 47 1.439 13.508 -4.346 1.00 0.00 H new ATOM 0 HA TYR A 47 3.458 12.177 -2.664 1.00 0.00 H new ATOM 0 HB2 TYR A 47 3.550 13.512 -5.426 1.00 0.00 H new ATOM 0 HB3 TYR A 47 4.723 12.376 -4.789 1.00 0.00 H new ATOM 0 HD1 TYR A 47 2.790 10.340 -3.627 1.00 0.00 H new ATOM 0 HD2 TYR A 47 2.834 12.372 -7.373 1.00 0.00 H new ATOM 0 HE1 TYR A 47 1.508 8.430 -4.687 1.00 0.00 H new ATOM 0 HE2 TYR A 47 1.552 10.455 -8.418 1.00 0.00 H new ATOM 0 HH TYR A 47 0.636 8.535 -8.106 1.00 0.00 H new ATOM 717 N THR A 48 4.641 14.115 -1.811 1.00 0.00 N ATOM 718 CA THR A 48 5.373 15.244 -1.262 1.00 0.00 C ATOM 719 C THR A 48 6.879 15.040 -1.435 1.00 0.00 C ATOM 720 O THR A 48 7.448 14.097 -0.887 1.00 0.00 O ATOM 721 CB THR A 48 4.947 15.418 0.198 1.00 0.00 C ATOM 722 OG1 THR A 48 3.663 16.029 0.115 1.00 0.00 O ATOM 723 CG2 THR A 48 5.803 16.448 0.939 1.00 0.00 C ATOM 0 H THR A 48 4.726 13.250 -1.277 1.00 0.00 H new ATOM 0 HA THR A 48 5.139 16.164 -1.797 1.00 0.00 H new ATOM 0 HB THR A 48 5.009 14.458 0.711 1.00 0.00 H new ATOM 0 HG1 THR A 48 3.312 16.176 1.018 1.00 0.00 H new ATOM 0 HG21 THR A 48 5.459 16.533 1.970 1.00 0.00 H new ATOM 0 HG22 THR A 48 6.845 16.129 0.929 1.00 0.00 H new ATOM 0 HG23 THR A 48 5.715 17.416 0.446 1.00 0.00 H new ATOM 731 N GLN A 49 7.481 15.938 -2.200 1.00 0.00 N ATOM 732 CA GLN A 49 8.911 15.869 -2.452 1.00 0.00 C ATOM 733 C GLN A 49 9.688 16.455 -1.272 1.00 0.00 C ATOM 734 O GLN A 49 9.432 17.584 -0.856 1.00 0.00 O ATOM 735 CB GLN A 49 9.273 16.583 -3.756 1.00 0.00 C ATOM 736 CG GLN A 49 10.758 16.412 -4.081 1.00 0.00 C ATOM 737 CD GLN A 49 11.492 17.753 -4.013 1.00 0.00 C ATOM 738 OE1 GLN A 49 10.921 18.813 -4.213 1.00 0.00 O ATOM 739 NE2 GLN A 49 12.785 17.647 -3.722 1.00 0.00 N ATOM 0 H GLN A 49 7.005 16.718 -2.654 1.00 0.00 H new ATOM 0 HA GLN A 49 9.190 14.821 -2.560 1.00 0.00 H new ATOM 0 HB2 GLN A 49 8.670 16.185 -4.572 1.00 0.00 H new ATOM 0 HB3 GLN A 49 9.035 17.643 -3.672 1.00 0.00 H new ATOM 0 HG2 GLN A 49 11.209 15.710 -3.379 1.00 0.00 H new ATOM 0 HG3 GLN A 49 10.869 15.983 -5.077 1.00 0.00 H new ATOM 0 HE21 GLN A 49 13.199 16.728 -3.566 1.00 0.00 H new ATOM 0 HE22 GLN A 49 13.363 18.485 -3.654 1.00 0.00 H new ATOM 748 N VAL A 50 10.621 15.662 -0.767 1.00 0.00 N ATOM 749 CA VAL A 50 11.437 16.088 0.358 1.00 0.00 C ATOM 750 C VAL A 50 12.911 15.830 0.039 1.00 0.00 C ATOM 751 O VAL A 50 13.232 15.214 -0.976 1.00 0.00 O ATOM 752 CB VAL A 50 10.971 15.391 1.637 1.00 0.00 C ATOM 753 CG1 VAL A 50 9.583 15.882 2.055 1.00 0.00 C ATOM 754 CG2 VAL A 50 10.986 13.870 1.469 1.00 0.00 C ATOM 0 H VAL A 50 10.830 14.727 -1.116 1.00 0.00 H new ATOM 0 HA VAL A 50 11.323 17.159 0.528 1.00 0.00 H new ATOM 0 HB VAL A 50 11.671 15.648 2.432 1.00 0.00 H new ATOM 0 HG11 VAL A 50 9.276 15.370 2.967 1.00 0.00 H new ATOM 0 HG12 VAL A 50 9.616 16.957 2.235 1.00 0.00 H new ATOM 0 HG13 VAL A 50 8.867 15.669 1.261 1.00 0.00 H new ATOM 0 HG21 VAL A 50 10.650 13.399 2.393 1.00 0.00 H new ATOM 0 HG22 VAL A 50 10.319 13.587 0.654 1.00 0.00 H new ATOM 0 HG23 VAL A 50 11.999 13.539 1.240 1.00 0.00 H new ATOM 764 N GLY A 51 13.768 16.315 0.925 1.00 0.00 N ATOM 765 CA GLY A 51 15.201 16.145 0.751 1.00 0.00 C ATOM 766 C GLY A 51 15.711 16.969 -0.432 1.00 0.00 C ATOM 767 O GLY A 51 14.926 17.597 -1.141 1.00 0.00 O ATOM 0 H GLY A 51 13.498 16.826 1.766 1.00 0.00 H new ATOM 0 HA2 GLY A 51 15.720 16.448 1.660 1.00 0.00 H new ATOM 0 HA3 GLY A 51 15.429 15.091 0.590 1.00 0.00 H new ATOM 771 N PRO A 52 17.059 16.940 -0.614 1.00 0.00 N ATOM 772 CA PRO A 52 17.683 17.677 -1.700 1.00 0.00 C ATOM 773 C PRO A 52 17.452 16.978 -3.041 1.00 0.00 C ATOM 774 O PRO A 52 17.128 15.792 -3.080 1.00 0.00 O ATOM 775 CB PRO A 52 19.153 17.764 -1.321 1.00 0.00 C ATOM 776 CG PRO A 52 19.380 16.681 -0.280 1.00 0.00 C ATOM 777 CD PRO A 52 18.020 16.207 0.205 1.00 0.00 C ATOM 0 HA PRO A 52 17.259 18.672 -1.832 1.00 0.00 H new ATOM 0 HB2 PRO A 52 19.791 17.609 -2.191 1.00 0.00 H new ATOM 0 HB3 PRO A 52 19.395 18.748 -0.920 1.00 0.00 H new ATOM 0 HG2 PRO A 52 19.943 15.852 -0.709 1.00 0.00 H new ATOM 0 HG3 PRO A 52 19.968 17.069 0.552 1.00 0.00 H new ATOM 0 HD2 PRO A 52 17.908 15.130 0.079 1.00 0.00 H new ATOM 0 HD3 PRO A 52 17.881 16.420 1.265 1.00 0.00 H new ATOM 785 N ASP A 53 17.628 17.743 -4.109 1.00 0.00 N ATOM 786 CA ASP A 53 17.443 17.212 -5.448 1.00 0.00 C ATOM 787 C ASP A 53 18.359 16.002 -5.645 1.00 0.00 C ATOM 788 O ASP A 53 17.892 14.912 -5.972 1.00 0.00 O ATOM 789 CB ASP A 53 17.803 18.255 -6.509 1.00 0.00 C ATOM 790 CG ASP A 53 17.915 17.714 -7.935 1.00 0.00 C ATOM 791 OD1 ASP A 53 16.982 16.987 -8.341 1.00 0.00 O ATOM 792 OD2 ASP A 53 18.929 18.040 -8.588 1.00 0.00 O ATOM 0 H ASP A 53 17.897 18.726 -4.073 1.00 0.00 H new ATOM 0 HA ASP A 53 16.395 16.933 -5.557 1.00 0.00 H new ATOM 0 HB2 ASP A 53 17.049 19.042 -6.493 1.00 0.00 H new ATOM 0 HB3 ASP A 53 18.752 18.717 -6.236 1.00 0.00 H new ATOM 797 N HIS A 54 19.646 16.235 -5.436 1.00 0.00 N ATOM 798 CA HIS A 54 20.632 15.178 -5.585 1.00 0.00 C ATOM 799 C HIS A 54 20.092 13.883 -4.977 1.00 0.00 C ATOM 800 O HIS A 54 20.321 12.799 -5.512 1.00 0.00 O ATOM 801 CB HIS A 54 21.975 15.599 -4.986 1.00 0.00 C ATOM 802 CG HIS A 54 22.128 15.261 -3.522 1.00 0.00 C ATOM 803 ND1 HIS A 54 22.401 14.076 -2.905 1.00 0.00 N flip ATOM 804 CD2 HIS A 54 21.996 16.204 -2.518 1.00 0.00 C flip ATOM 805 CE1 HIS A 54 22.435 14.284 -1.595 1.00 0.00 C flip ATOM 806 NE2 HIS A 54 22.184 15.602 -1.352 1.00 0.00 N flip ATOM 0 H HIS A 54 20.029 17.140 -5.165 1.00 0.00 H new ATOM 0 HA HIS A 54 20.814 14.993 -6.644 1.00 0.00 H new ATOM 0 HB2 HIS A 54 22.777 15.118 -5.545 1.00 0.00 H new ATOM 0 HB3 HIS A 54 22.097 16.674 -5.115 1.00 0.00 H new ATOM 0 HD2 HIS A 54 21.777 17.252 -2.660 1.00 0.00 H new ATOM 0 HE1 HIS A 54 22.630 13.532 -0.844 1.00 0.00 H new ATOM 0 HE2 HIS A 54 22.147 16.046 -0.435 1.00 0.00 H new ATOM 814 N ASN A 55 19.384 14.038 -3.868 1.00 0.00 N ATOM 815 CA ASN A 55 18.808 12.893 -3.182 1.00 0.00 C ATOM 816 C ASN A 55 17.491 13.308 -2.523 1.00 0.00 C ATOM 817 O ASN A 55 17.470 13.687 -1.353 1.00 0.00 O ATOM 818 CB ASN A 55 19.744 12.382 -2.085 1.00 0.00 C ATOM 819 CG ASN A 55 19.423 10.930 -1.723 1.00 0.00 C ATOM 820 OD1 ASN A 55 18.601 10.276 -2.344 1.00 0.00 O ATOM 821 ND2 ASN A 55 20.114 10.466 -0.686 1.00 0.00 N ATOM 0 H ASN A 55 19.196 14.938 -3.427 1.00 0.00 H new ATOM 0 HA ASN A 55 18.648 12.104 -3.917 1.00 0.00 H new ATOM 0 HB2 ASN A 55 20.778 12.457 -2.421 1.00 0.00 H new ATOM 0 HB3 ASN A 55 19.650 13.011 -1.200 1.00 0.00 H new ATOM 0 HD21 ASN A 55 19.971 9.508 -0.365 1.00 0.00 H new ATOM 0 HD22 ASN A 55 20.787 11.068 -0.211 1.00 0.00 H new ATOM 828 N ARG A 56 16.424 13.223 -3.304 1.00 0.00 N ATOM 829 CA ARG A 56 15.106 13.585 -2.811 1.00 0.00 C ATOM 830 C ARG A 56 14.180 12.367 -2.827 1.00 0.00 C ATOM 831 O ARG A 56 14.498 11.349 -3.441 1.00 0.00 O ATOM 832 CB ARG A 56 14.487 14.698 -3.660 1.00 0.00 C ATOM 833 CG ARG A 56 14.602 14.378 -5.152 1.00 0.00 C ATOM 834 CD ARG A 56 13.420 14.959 -5.930 1.00 0.00 C ATOM 835 NE ARG A 56 13.912 15.789 -7.053 1.00 0.00 N ATOM 836 CZ ARG A 56 14.347 15.293 -8.219 1.00 0.00 C ATOM 837 NH1 ARG A 56 14.354 13.969 -8.424 1.00 0.00 N ATOM 838 NH2 ARG A 56 14.775 16.121 -9.181 1.00 0.00 N ATOM 0 H ARG A 56 16.445 12.909 -4.274 1.00 0.00 H new ATOM 0 HA ARG A 56 15.222 13.944 -1.789 1.00 0.00 H new ATOM 0 HB2 ARG A 56 13.438 14.825 -3.391 1.00 0.00 H new ATOM 0 HB3 ARG A 56 14.987 15.643 -3.448 1.00 0.00 H new ATOM 0 HG2 ARG A 56 15.535 14.784 -5.544 1.00 0.00 H new ATOM 0 HG3 ARG A 56 14.640 13.298 -5.294 1.00 0.00 H new ATOM 0 HD2 ARG A 56 12.793 14.153 -6.310 1.00 0.00 H new ATOM 0 HD3 ARG A 56 12.798 15.561 -5.267 1.00 0.00 H new ATOM 0 HE ARG A 56 13.920 16.802 -6.931 1.00 0.00 H new ATOM 0 HH11 ARG A 56 14.028 13.338 -7.692 1.00 0.00 H new ATOM 0 HH12 ARG A 56 14.685 13.592 -9.312 1.00 0.00 H new ATOM 0 HH21 ARG A 56 14.770 17.129 -9.026 1.00 0.00 H new ATOM 0 HH22 ARG A 56 15.106 15.743 -10.069 1.00 0.00 H new ATOM 852 N SER A 57 13.054 12.511 -2.144 1.00 0.00 N ATOM 853 CA SER A 57 12.081 11.434 -2.071 1.00 0.00 C ATOM 854 C SER A 57 10.664 12.003 -2.168 1.00 0.00 C ATOM 855 O SER A 57 10.441 13.178 -1.879 1.00 0.00 O ATOM 856 CB SER A 57 12.243 10.631 -0.779 1.00 0.00 C ATOM 857 OG SER A 57 11.368 9.508 -0.735 1.00 0.00 O ATOM 0 H SER A 57 12.794 13.357 -1.636 1.00 0.00 H new ATOM 0 HA SER A 57 12.254 10.759 -2.910 1.00 0.00 H new ATOM 0 HB2 SER A 57 13.275 10.290 -0.691 1.00 0.00 H new ATOM 0 HB3 SER A 57 12.047 11.277 0.076 1.00 0.00 H new ATOM 0 HG SER A 57 11.127 9.245 -1.648 1.00 0.00 H new ATOM 863 N PHE A 58 9.742 11.143 -2.576 1.00 0.00 N ATOM 864 CA PHE A 58 8.353 11.545 -2.715 1.00 0.00 C ATOM 865 C PHE A 58 7.474 10.853 -1.671 1.00 0.00 C ATOM 866 O PHE A 58 7.293 9.637 -1.714 1.00 0.00 O ATOM 867 CB PHE A 58 7.900 11.115 -4.111 1.00 0.00 C ATOM 868 CG PHE A 58 8.519 11.932 -5.246 1.00 0.00 C ATOM 869 CD1 PHE A 58 9.700 11.544 -5.799 1.00 0.00 C ATOM 870 CD2 PHE A 58 7.889 13.048 -5.703 1.00 0.00 C ATOM 871 CE1 PHE A 58 10.275 12.303 -6.852 1.00 0.00 C ATOM 872 CE2 PHE A 58 8.465 13.807 -6.756 1.00 0.00 C ATOM 873 CZ PHE A 58 9.645 13.419 -7.309 1.00 0.00 C ATOM 0 H PHE A 58 9.930 10.169 -2.815 1.00 0.00 H new ATOM 0 HA PHE A 58 8.262 12.622 -2.571 1.00 0.00 H new ATOM 0 HB2 PHE A 58 8.151 10.064 -4.255 1.00 0.00 H new ATOM 0 HB3 PHE A 58 6.815 11.195 -4.170 1.00 0.00 H new ATOM 0 HD1 PHE A 58 10.200 10.658 -5.437 1.00 0.00 H new ATOM 0 HD2 PHE A 58 6.951 13.357 -5.265 1.00 0.00 H new ATOM 0 HE1 PHE A 58 11.213 11.995 -7.290 1.00 0.00 H new ATOM 0 HE2 PHE A 58 7.965 14.693 -7.118 1.00 0.00 H new ATOM 0 HZ PHE A 58 10.082 13.996 -8.110 1.00 0.00 H new ATOM 883 N ILE A 59 6.952 11.657 -0.757 1.00 0.00 N ATOM 884 CA ILE A 59 6.097 11.137 0.297 1.00 0.00 C ATOM 885 C ILE A 59 4.666 11.010 -0.229 1.00 0.00 C ATOM 886 O ILE A 59 3.940 12.000 -0.307 1.00 0.00 O ATOM 887 CB ILE A 59 6.215 11.998 1.556 1.00 0.00 C ATOM 888 CG1 ILE A 59 7.517 11.701 2.303 1.00 0.00 C ATOM 889 CG2 ILE A 59 4.988 11.827 2.454 1.00 0.00 C ATOM 890 CD1 ILE A 59 7.862 12.832 3.274 1.00 0.00 C ATOM 0 H ILE A 59 7.104 12.665 -0.724 1.00 0.00 H new ATOM 0 HA ILE A 59 6.419 10.138 0.590 1.00 0.00 H new ATOM 0 HB ILE A 59 6.249 13.044 1.252 1.00 0.00 H new ATOM 0 HG12 ILE A 59 7.421 10.763 2.851 1.00 0.00 H new ATOM 0 HG13 ILE A 59 8.329 11.570 1.588 1.00 0.00 H new ATOM 0 HG21 ILE A 59 5.097 12.450 3.342 1.00 0.00 H new ATOM 0 HG22 ILE A 59 4.093 12.127 1.908 1.00 0.00 H new ATOM 0 HG23 ILE A 59 4.898 10.782 2.752 1.00 0.00 H new ATOM 0 HD11 ILE A 59 8.792 12.596 3.792 1.00 0.00 H new ATOM 0 HD12 ILE A 59 7.982 13.763 2.720 1.00 0.00 H new ATOM 0 HD13 ILE A 59 7.059 12.944 4.003 1.00 0.00 H new ATOM 902 N ALA A 60 4.304 9.784 -0.577 1.00 0.00 N ATOM 903 CA ALA A 60 2.973 9.515 -1.094 1.00 0.00 C ATOM 904 C ALA A 60 2.019 9.258 0.075 1.00 0.00 C ATOM 905 O ALA A 60 2.113 8.229 0.742 1.00 0.00 O ATOM 906 CB ALA A 60 3.032 8.338 -2.069 1.00 0.00 C ATOM 0 H ALA A 60 4.909 8.966 -0.511 1.00 0.00 H new ATOM 0 HA ALA A 60 2.594 10.375 -1.645 1.00 0.00 H new ATOM 0 HB1 ALA A 60 2.033 8.136 -2.457 1.00 0.00 H new ATOM 0 HB2 ALA A 60 3.699 8.583 -2.895 1.00 0.00 H new ATOM 0 HB3 ALA A 60 3.405 7.455 -1.551 1.00 0.00 H new ATOM 912 N GLU A 61 1.123 10.210 0.287 1.00 0.00 N ATOM 913 CA GLU A 61 0.153 10.099 1.363 1.00 0.00 C ATOM 914 C GLU A 61 -1.264 10.011 0.793 1.00 0.00 C ATOM 915 O GLU A 61 -1.583 10.675 -0.192 1.00 0.00 O ATOM 916 CB GLU A 61 0.280 11.271 2.339 1.00 0.00 C ATOM 917 CG GLU A 61 -0.158 12.581 1.682 1.00 0.00 C ATOM 918 CD GLU A 61 0.295 13.787 2.508 1.00 0.00 C ATOM 919 OE1 GLU A 61 1.522 13.901 2.719 1.00 0.00 O ATOM 920 OE2 GLU A 61 -0.595 14.567 2.908 1.00 0.00 O ATOM 0 H GLU A 61 1.048 11.062 -0.268 1.00 0.00 H new ATOM 0 HA GLU A 61 0.358 9.183 1.918 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -0.330 11.081 3.222 1.00 0.00 H new ATOM 0 HB3 GLU A 61 1.313 11.357 2.677 1.00 0.00 H new ATOM 0 HG2 GLU A 61 0.260 12.646 0.678 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -1.243 12.594 1.577 1.00 0.00 H new ATOM 927 N MET A 62 -2.077 9.187 1.438 1.00 0.00 N ATOM 928 CA MET A 62 -3.452 9.003 1.008 1.00 0.00 C ATOM 929 C MET A 62 -4.369 8.732 2.203 1.00 0.00 C ATOM 930 O MET A 62 -4.004 7.991 3.114 1.00 0.00 O ATOM 931 CB MET A 62 -3.530 7.831 0.028 1.00 0.00 C ATOM 932 CG MET A 62 -4.984 7.464 -0.274 1.00 0.00 C ATOM 933 SD MET A 62 -5.044 6.185 -1.518 1.00 0.00 S ATOM 934 CE MET A 62 -5.364 7.176 -2.967 1.00 0.00 C ATOM 0 H MET A 62 -1.809 8.639 2.256 1.00 0.00 H new ATOM 0 HA MET A 62 -3.785 9.919 0.519 1.00 0.00 H new ATOM 0 HB2 MET A 62 -3.017 8.092 -0.898 1.00 0.00 H new ATOM 0 HB3 MET A 62 -3.013 6.968 0.446 1.00 0.00 H new ATOM 0 HG2 MET A 62 -5.478 7.122 0.635 1.00 0.00 H new ATOM 0 HG3 MET A 62 -5.526 8.344 -0.619 1.00 0.00 H new ATOM 0 HE1 MET A 62 -5.659 6.529 -3.793 1.00 0.00 H new ATOM 0 HE2 MET A 62 -6.167 7.882 -2.755 1.00 0.00 H new ATOM 0 HE3 MET A 62 -4.462 7.723 -3.240 1.00 0.00 H new ATOM 944 N THR A 63 -5.542 9.347 2.160 1.00 0.00 N ATOM 945 CA THR A 63 -6.513 9.181 3.227 1.00 0.00 C ATOM 946 C THR A 63 -7.881 8.809 2.651 1.00 0.00 C ATOM 947 O THR A 63 -8.316 9.385 1.655 1.00 0.00 O ATOM 948 CB THR A 63 -6.532 10.469 4.054 1.00 0.00 C ATOM 949 OG1 THR A 63 -5.156 10.742 4.302 1.00 0.00 O ATOM 950 CG2 THR A 63 -7.128 10.261 5.448 1.00 0.00 C ATOM 0 H THR A 63 -5.841 9.961 1.403 1.00 0.00 H new ATOM 0 HA THR A 63 -6.238 8.358 3.887 1.00 0.00 H new ATOM 0 HB THR A 63 -7.104 11.232 3.525 1.00 0.00 H new ATOM 0 HG1 THR A 63 -4.889 10.332 5.151 1.00 0.00 H new ATOM 0 HG21 THR A 63 -7.118 11.205 5.993 1.00 0.00 H new ATOM 0 HG22 THR A 63 -8.155 9.906 5.356 1.00 0.00 H new ATOM 0 HG23 THR A 63 -6.537 9.523 5.990 1.00 0.00 H new ATOM 958 N ILE A 64 -8.520 7.848 3.302 1.00 0.00 N ATOM 959 CA ILE A 64 -9.829 7.392 2.867 1.00 0.00 C ATOM 960 C ILE A 64 -10.742 7.239 4.085 1.00 0.00 C ATOM 961 O ILE A 64 -10.281 6.888 5.170 1.00 0.00 O ATOM 962 CB ILE A 64 -9.701 6.117 2.030 1.00 0.00 C ATOM 963 CG1 ILE A 64 -8.629 5.190 2.604 1.00 0.00 C ATOM 964 CG2 ILE A 64 -9.444 6.451 0.559 1.00 0.00 C ATOM 965 CD1 ILE A 64 -8.833 3.751 2.123 1.00 0.00 C ATOM 0 H ILE A 64 -8.155 7.373 4.128 1.00 0.00 H new ATOM 0 HA ILE A 64 -10.292 8.131 2.212 1.00 0.00 H new ATOM 0 HB ILE A 64 -10.648 5.580 2.077 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -7.641 5.541 2.304 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -8.661 5.221 3.693 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -9.357 5.528 -0.014 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -10.273 7.043 0.170 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -8.519 7.021 0.472 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -8.057 3.113 2.546 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -9.812 3.395 2.445 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -8.776 3.719 1.035 1.00 0.00 H new ATOM 977 N TYR A 65 -12.020 7.510 3.864 1.00 0.00 N ATOM 978 CA TYR A 65 -13.002 7.407 4.931 1.00 0.00 C ATOM 979 C TYR A 65 -13.952 6.232 4.689 1.00 0.00 C ATOM 980 O TYR A 65 -14.379 5.997 3.559 1.00 0.00 O ATOM 981 CB TYR A 65 -13.801 8.710 4.895 1.00 0.00 C ATOM 982 CG TYR A 65 -15.047 8.701 5.784 1.00 0.00 C ATOM 983 CD1 TYR A 65 -16.175 8.015 5.384 1.00 0.00 C ATOM 984 CD2 TYR A 65 -15.041 9.379 6.986 1.00 0.00 C ATOM 985 CE1 TYR A 65 -17.347 8.006 6.221 1.00 0.00 C ATOM 986 CE2 TYR A 65 -16.213 9.370 7.823 1.00 0.00 C ATOM 987 CZ TYR A 65 -17.308 8.684 7.399 1.00 0.00 C ATOM 988 OH TYR A 65 -18.415 8.676 8.190 1.00 0.00 O ATOM 0 H TYR A 65 -12.398 7.801 2.962 1.00 0.00 H new ATOM 0 HA TYR A 65 -12.512 7.244 5.891 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -13.153 9.530 5.204 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -14.102 8.911 3.867 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -16.179 7.485 4.443 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -14.158 9.916 7.299 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -18.237 7.473 5.920 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -16.222 9.896 8.766 1.00 0.00 H new ATOM 0 HH TYR A 65 -18.242 9.200 9.000 1.00 0.00 H new ATOM 998 N ILE A 66 -14.256 5.526 5.768 1.00 0.00 N ATOM 999 CA ILE A 66 -15.148 4.382 5.688 1.00 0.00 C ATOM 1000 C ILE A 66 -16.448 4.702 6.429 1.00 0.00 C ATOM 1001 O ILE A 66 -16.430 4.993 7.623 1.00 0.00 O ATOM 1002 CB ILE A 66 -14.447 3.120 6.192 1.00 0.00 C ATOM 1003 CG1 ILE A 66 -13.030 3.015 5.624 1.00 0.00 C ATOM 1004 CG2 ILE A 66 -15.280 1.872 5.889 1.00 0.00 C ATOM 1005 CD1 ILE A 66 -13.056 2.939 4.096 1.00 0.00 C ATOM 0 H ILE A 66 -13.900 5.724 6.703 1.00 0.00 H new ATOM 0 HA ILE A 66 -15.414 4.178 4.651 1.00 0.00 H new ATOM 0 HB ILE A 66 -14.355 3.191 7.276 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -12.443 3.878 5.939 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -12.537 2.130 6.027 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -14.759 0.988 6.258 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -16.249 1.953 6.381 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -15.426 1.784 4.812 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -12.036 2.865 3.718 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -13.623 2.062 3.785 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -13.527 3.836 3.695 1.00 0.00 H new ATOM 1017 N LYS A 67 -17.545 4.636 5.689 1.00 0.00 N ATOM 1018 CA LYS A 67 -18.851 4.915 6.260 1.00 0.00 C ATOM 1019 C LYS A 67 -19.348 3.679 7.014 1.00 0.00 C ATOM 1020 O LYS A 67 -19.984 3.799 8.059 1.00 0.00 O ATOM 1021 CB LYS A 67 -19.817 5.404 5.179 1.00 0.00 C ATOM 1022 CG LYS A 67 -19.887 4.412 4.017 1.00 0.00 C ATOM 1023 CD LYS A 67 -19.515 5.087 2.695 1.00 0.00 C ATOM 1024 CE LYS A 67 -20.471 4.668 1.577 1.00 0.00 C ATOM 1025 NZ LYS A 67 -19.954 3.473 0.874 1.00 0.00 N ATOM 0 H LYS A 67 -17.556 4.393 4.698 1.00 0.00 H new ATOM 0 HA LYS A 67 -18.783 5.726 6.985 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -20.810 5.538 5.608 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -19.494 6.378 4.811 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -19.212 3.577 4.206 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -20.893 3.998 3.948 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -19.543 6.170 2.815 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -18.493 4.823 2.423 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -21.456 4.455 1.993 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -20.595 5.488 0.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -20.107 3.579 -0.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -18.936 3.372 1.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -20.455 2.627 1.213 1.00 0.00 H new ATOM 1039 N GLN A 68 -19.038 2.519 6.453 1.00 0.00 N ATOM 1040 CA GLN A 68 -19.444 1.262 7.058 1.00 0.00 C ATOM 1041 C GLN A 68 -18.792 1.100 8.432 1.00 0.00 C ATOM 1042 O GLN A 68 -19.252 0.306 9.252 1.00 0.00 O ATOM 1043 CB GLN A 68 -19.106 0.080 6.147 1.00 0.00 C ATOM 1044 CG GLN A 68 -17.611 0.047 5.824 1.00 0.00 C ATOM 1045 CD GLN A 68 -17.246 -1.221 5.050 1.00 0.00 C ATOM 1046 OE1 GLN A 68 -17.041 -2.285 5.612 1.00 0.00 O ATOM 1047 NE2 GLN A 68 -17.174 -1.050 3.733 1.00 0.00 N ATOM 0 H GLN A 68 -18.510 2.424 5.585 1.00 0.00 H new ATOM 0 HA GLN A 68 -20.526 1.277 7.190 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -19.398 -0.852 6.631 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -19.680 0.153 5.223 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -17.342 0.926 5.237 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -17.034 0.092 6.748 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -17.358 -0.132 3.327 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -16.935 -1.836 3.129 1.00 0.00 H new ATOM 1056 N LEU A 69 -17.730 1.864 8.642 1.00 0.00 N ATOM 1057 CA LEU A 69 -17.010 1.815 9.903 1.00 0.00 C ATOM 1058 C LEU A 69 -17.384 3.036 10.747 1.00 0.00 C ATOM 1059 O LEU A 69 -17.515 2.935 11.966 1.00 0.00 O ATOM 1060 CB LEU A 69 -15.507 1.675 9.656 1.00 0.00 C ATOM 1061 CG LEU A 69 -15.060 0.395 8.947 1.00 0.00 C ATOM 1062 CD1 LEU A 69 -13.570 0.133 9.177 1.00 0.00 C ATOM 1063 CD2 LEU A 69 -15.923 -0.795 9.369 1.00 0.00 C ATOM 0 H LEU A 69 -17.351 2.521 7.960 1.00 0.00 H new ATOM 0 HA LEU A 69 -17.300 0.932 10.473 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -15.175 2.529 9.065 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -14.994 1.733 10.616 1.00 0.00 H new ATOM 0 HG LEU A 69 -15.201 0.531 7.875 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -13.278 -0.782 8.663 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -12.989 0.969 8.788 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -13.380 0.025 10.245 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -15.584 -1.692 8.851 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -15.837 -0.943 10.445 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -16.964 -0.599 9.112 1.00 0.00 H new ATOM 1075 N GLY A 70 -17.545 4.160 10.065 1.00 0.00 N ATOM 1076 CA GLY A 70 -17.900 5.398 10.737 1.00 0.00 C ATOM 1077 C GLY A 70 -16.658 6.246 11.018 1.00 0.00 C ATOM 1078 O GLY A 70 -16.735 7.252 11.722 1.00 0.00 O ATOM 0 H GLY A 70 -17.436 4.239 9.054 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -18.598 5.963 10.120 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -18.411 5.174 11.673 1.00 0.00 H new ATOM 1082 N ARG A 71 -15.542 5.809 10.453 1.00 0.00 N ATOM 1083 CA ARG A 71 -14.286 6.515 10.634 1.00 0.00 C ATOM 1084 C ARG A 71 -13.510 6.565 9.316 1.00 0.00 C ATOM 1085 O ARG A 71 -14.034 6.189 8.269 1.00 0.00 O ATOM 1086 CB ARG A 71 -13.422 5.838 11.700 1.00 0.00 C ATOM 1087 CG ARG A 71 -12.909 4.482 11.211 1.00 0.00 C ATOM 1088 CD ARG A 71 -12.147 3.752 12.319 1.00 0.00 C ATOM 1089 NE ARG A 71 -10.809 3.350 11.832 1.00 0.00 N ATOM 1090 CZ ARG A 71 -9.820 2.915 12.625 1.00 0.00 C ATOM 1091 NH1 ARG A 71 -10.014 2.823 13.948 1.00 0.00 N ATOM 1092 NH2 ARG A 71 -8.638 2.572 12.095 1.00 0.00 N ATOM 0 H ARG A 71 -15.482 4.975 9.870 1.00 0.00 H new ATOM 0 HA ARG A 71 -14.520 7.528 10.961 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -12.578 6.481 11.951 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -14.003 5.703 12.612 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -13.748 3.871 10.878 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -12.257 4.625 10.350 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -12.047 4.399 13.190 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -12.706 2.873 12.638 1.00 0.00 H new ATOM 0 HE ARG A 71 -10.628 3.408 10.830 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -10.914 3.084 14.351 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -9.262 2.492 14.552 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -8.491 2.642 11.088 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -7.885 2.241 12.699 1.00 0.00 H new ATOM 1106 N ARG A 72 -12.274 7.033 9.411 1.00 0.00 N ATOM 1107 CA ARG A 72 -11.421 7.137 8.239 1.00 0.00 C ATOM 1108 C ARG A 72 -9.980 6.771 8.598 1.00 0.00 C ATOM 1109 O ARG A 72 -9.554 6.953 9.737 1.00 0.00 O ATOM 1110 CB ARG A 72 -11.452 8.553 7.660 1.00 0.00 C ATOM 1111 CG ARG A 72 -11.274 9.600 8.762 1.00 0.00 C ATOM 1112 CD ARG A 72 -10.042 10.468 8.499 1.00 0.00 C ATOM 1113 NE ARG A 72 -9.232 10.584 9.733 1.00 0.00 N ATOM 1114 CZ ARG A 72 -8.161 11.380 9.857 1.00 0.00 C ATOM 1115 NH1 ARG A 72 -7.764 12.135 8.823 1.00 0.00 N ATOM 1116 NH2 ARG A 72 -7.486 11.420 11.014 1.00 0.00 N ATOM 0 H ARG A 72 -11.843 7.344 10.281 1.00 0.00 H new ATOM 0 HA ARG A 72 -11.800 6.442 7.490 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -10.662 8.663 6.917 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -12.398 8.719 7.145 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -12.162 10.230 8.817 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -11.174 9.104 9.727 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -9.443 10.031 7.700 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -10.350 11.458 8.161 1.00 0.00 H new ATOM 0 HE ARG A 72 -9.506 10.023 10.539 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -8.277 12.104 7.942 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -6.949 12.741 8.917 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -7.787 10.845 11.800 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -6.671 12.026 11.108 1.00 0.00 H new ATOM 1130 N ILE A 73 -9.268 6.261 7.603 1.00 0.00 N ATOM 1131 CA ILE A 73 -7.883 5.868 7.799 1.00 0.00 C ATOM 1132 C ILE A 73 -6.981 6.738 6.922 1.00 0.00 C ATOM 1133 O ILE A 73 -7.359 7.107 5.811 1.00 0.00 O ATOM 1134 CB ILE A 73 -7.713 4.367 7.558 1.00 0.00 C ATOM 1135 CG1 ILE A 73 -8.298 3.959 6.204 1.00 0.00 C ATOM 1136 CG2 ILE A 73 -8.312 3.555 8.709 1.00 0.00 C ATOM 1137 CD1 ILE A 73 -7.953 2.506 5.873 1.00 0.00 C ATOM 0 H ILE A 73 -9.625 6.111 6.659 1.00 0.00 H new ATOM 0 HA ILE A 73 -7.582 6.038 8.833 1.00 0.00 H new ATOM 0 HB ILE A 73 -6.646 4.145 7.528 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -9.381 4.085 6.219 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -7.911 4.615 5.424 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -8.178 2.491 8.512 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -7.810 3.818 9.640 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -9.376 3.776 8.795 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -8.381 2.242 4.906 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -6.870 2.389 5.835 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -8.362 1.851 6.642 1.00 0.00 H new ATOM 1149 N PHE A 74 -5.805 7.040 7.453 1.00 0.00 N ATOM 1150 CA PHE A 74 -4.846 7.859 6.732 1.00 0.00 C ATOM 1151 C PHE A 74 -3.504 7.138 6.592 1.00 0.00 C ATOM 1152 O PHE A 74 -3.159 6.296 7.420 1.00 0.00 O ATOM 1153 CB PHE A 74 -4.643 9.135 7.551 1.00 0.00 C ATOM 1154 CG PHE A 74 -3.282 9.801 7.338 1.00 0.00 C ATOM 1155 CD1 PHE A 74 -2.167 9.264 7.902 1.00 0.00 C ATOM 1156 CD2 PHE A 74 -3.187 10.930 6.586 1.00 0.00 C ATOM 1157 CE1 PHE A 74 -0.904 9.881 7.705 1.00 0.00 C ATOM 1158 CE2 PHE A 74 -1.924 11.548 6.389 1.00 0.00 C ATOM 1159 CZ PHE A 74 -0.809 11.010 6.953 1.00 0.00 C ATOM 0 H PHE A 74 -5.495 6.732 8.375 1.00 0.00 H new ATOM 0 HA PHE A 74 -5.219 8.073 5.730 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -5.428 9.847 7.296 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -4.759 8.898 8.609 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -2.243 8.368 8.500 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -4.072 11.357 6.138 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -0.019 9.454 8.152 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -1.848 12.445 5.792 1.00 0.00 H new ATOM 0 HZ PHE A 74 0.152 11.480 6.803 1.00 0.00 H new ATOM 1169 N ALA A 75 -2.784 7.495 5.539 1.00 0.00 N ATOM 1170 CA ALA A 75 -1.487 6.892 5.280 1.00 0.00 C ATOM 1171 C ALA A 75 -0.524 7.965 4.768 1.00 0.00 C ATOM 1172 O ALA A 75 -0.954 8.997 4.255 1.00 0.00 O ATOM 1173 CB ALA A 75 -1.649 5.735 4.293 1.00 0.00 C ATOM 0 H ALA A 75 -3.074 8.194 4.855 1.00 0.00 H new ATOM 0 HA ALA A 75 -1.065 6.481 6.197 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -0.676 5.283 4.099 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -2.319 4.987 4.716 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -2.068 6.110 3.359 1.00 0.00 H new ATOM 1179 N ARG A 76 0.762 7.684 4.924 1.00 0.00 N ATOM 1180 CA ARG A 76 1.789 8.612 4.484 1.00 0.00 C ATOM 1181 C ARG A 76 3.169 7.959 4.577 1.00 0.00 C ATOM 1182 O ARG A 76 3.777 7.934 5.646 1.00 0.00 O ATOM 1183 CB ARG A 76 1.778 9.888 5.328 1.00 0.00 C ATOM 1184 CG ARG A 76 2.769 10.917 4.781 1.00 0.00 C ATOM 1185 CD ARG A 76 3.742 11.375 5.869 1.00 0.00 C ATOM 1186 NE ARG A 76 4.606 10.246 6.283 1.00 0.00 N ATOM 1187 CZ ARG A 76 5.297 10.211 7.431 1.00 0.00 C ATOM 1188 NH1 ARG A 76 5.229 11.240 8.286 1.00 0.00 N ATOM 1189 NH2 ARG A 76 6.055 9.145 7.723 1.00 0.00 N ATOM 0 H ARG A 76 1.115 6.827 5.349 1.00 0.00 H new ATOM 0 HA ARG A 76 1.576 8.874 3.448 1.00 0.00 H new ATOM 0 HB2 ARG A 76 0.775 10.314 5.337 1.00 0.00 H new ATOM 0 HB3 ARG A 76 2.031 9.647 6.360 1.00 0.00 H new ATOM 0 HG2 ARG A 76 3.325 10.485 3.949 1.00 0.00 H new ATOM 0 HG3 ARG A 76 2.226 11.777 4.389 1.00 0.00 H new ATOM 0 HD2 ARG A 76 4.355 12.196 5.498 1.00 0.00 H new ATOM 0 HD3 ARG A 76 3.188 11.754 6.728 1.00 0.00 H new ATOM 0 HE ARG A 76 4.680 9.445 5.656 1.00 0.00 H new ATOM 0 HH11 ARG A 76 4.651 12.051 8.064 1.00 0.00 H new ATOM 0 HH12 ARG A 76 5.755 11.213 9.159 1.00 0.00 H new ATOM 0 HH21 ARG A 76 6.106 8.361 7.072 1.00 0.00 H new ATOM 0 HH22 ARG A 76 6.581 9.117 8.596 1.00 0.00 H new ATOM 1203 N GLU A 77 3.624 7.447 3.443 1.00 0.00 N ATOM 1204 CA GLU A 77 4.921 6.795 3.383 1.00 0.00 C ATOM 1205 C GLU A 77 5.940 7.702 2.690 1.00 0.00 C ATOM 1206 O GLU A 77 5.564 8.650 2.001 1.00 0.00 O ATOM 1207 CB GLU A 77 4.823 5.441 2.678 1.00 0.00 C ATOM 1208 CG GLU A 77 4.086 4.421 3.548 1.00 0.00 C ATOM 1209 CD GLU A 77 5.069 3.612 4.396 1.00 0.00 C ATOM 1210 OE1 GLU A 77 5.963 2.987 3.787 1.00 0.00 O ATOM 1211 OE2 GLU A 77 4.903 3.636 5.635 1.00 0.00 O ATOM 0 H GLU A 77 3.117 7.471 2.558 1.00 0.00 H new ATOM 0 HA GLU A 77 5.261 6.612 4.402 1.00 0.00 H new ATOM 0 HB2 GLU A 77 4.301 5.559 1.728 1.00 0.00 H new ATOM 0 HB3 GLU A 77 5.823 5.073 2.449 1.00 0.00 H new ATOM 0 HG2 GLU A 77 3.378 4.936 4.197 1.00 0.00 H new ATOM 0 HG3 GLU A 77 3.507 3.748 2.915 1.00 0.00 H new ATOM 1218 N HIS A 78 7.208 7.380 2.895 1.00 0.00 N ATOM 1219 CA HIS A 78 8.283 8.154 2.298 1.00 0.00 C ATOM 1220 C HIS A 78 8.914 7.359 1.154 1.00 0.00 C ATOM 1221 O HIS A 78 10.137 7.309 1.028 1.00 0.00 O ATOM 1222 CB HIS A 78 9.302 8.577 3.359 1.00 0.00 C ATOM 1223 CG HIS A 78 8.741 9.496 4.418 1.00 0.00 C ATOM 1224 ND1 HIS A 78 9.517 10.417 5.099 1.00 0.00 N ATOM 1225 CD2 HIS A 78 7.473 9.626 4.904 1.00 0.00 C ATOM 1226 CE1 HIS A 78 8.741 11.066 5.955 1.00 0.00 C ATOM 1227 NE2 HIS A 78 7.475 10.574 5.833 1.00 0.00 N ATOM 0 H HIS A 78 7.516 6.593 3.467 1.00 0.00 H new ATOM 0 HA HIS A 78 7.881 9.075 1.876 1.00 0.00 H new ATOM 0 HB2 HIS A 78 9.701 7.684 3.841 1.00 0.00 H new ATOM 0 HB3 HIS A 78 10.138 9.074 2.867 1.00 0.00 H new ATOM 0 HD1 HIS A 78 10.516 10.570 4.965 1.00 0.00 H new ATOM 0 HD2 HIS A 78 6.613 9.054 4.587 1.00 0.00 H new ATOM 0 HE1 HIS A 78 9.056 11.847 6.631 1.00 0.00 H new ATOM 1235 N GLY A 79 8.052 6.756 0.349 1.00 0.00 N ATOM 1236 CA GLY A 79 8.509 5.965 -0.781 1.00 0.00 C ATOM 1237 C GLY A 79 9.568 6.721 -1.587 1.00 0.00 C ATOM 1238 O GLY A 79 9.708 7.936 -1.448 1.00 0.00 O ATOM 0 H GLY A 79 7.039 6.799 0.457 1.00 0.00 H new ATOM 0 HA2 GLY A 79 8.923 5.021 -0.425 1.00 0.00 H new ATOM 0 HA3 GLY A 79 7.664 5.720 -1.424 1.00 0.00 H new ATOM 1242 N SER A 80 10.286 5.972 -2.410 1.00 0.00 N ATOM 1243 CA SER A 80 11.327 6.556 -3.237 1.00 0.00 C ATOM 1244 C SER A 80 10.700 7.353 -4.383 1.00 0.00 C ATOM 1245 O SER A 80 10.977 8.541 -4.542 1.00 0.00 O ATOM 1246 CB SER A 80 12.261 5.477 -3.791 1.00 0.00 C ATOM 1247 OG SER A 80 13.373 5.241 -2.931 1.00 0.00 O ATOM 0 H SER A 80 10.167 4.965 -2.522 1.00 0.00 H new ATOM 0 HA SER A 80 11.919 7.228 -2.616 1.00 0.00 H new ATOM 0 HB2 SER A 80 11.704 4.550 -3.926 1.00 0.00 H new ATOM 0 HB3 SER A 80 12.621 5.779 -4.775 1.00 0.00 H new ATOM 0 HG SER A 80 13.944 4.545 -3.318 1.00 0.00 H new ATOM 1253 N ASN A 81 9.867 6.668 -5.152 1.00 0.00 N ATOM 1254 CA ASN A 81 9.199 7.297 -6.278 1.00 0.00 C ATOM 1255 C ASN A 81 7.686 7.268 -6.049 1.00 0.00 C ATOM 1256 O ASN A 81 7.199 6.537 -5.187 1.00 0.00 O ATOM 1257 CB ASN A 81 9.494 6.551 -7.581 1.00 0.00 C ATOM 1258 CG ASN A 81 10.895 6.884 -8.097 1.00 0.00 C ATOM 1259 OD1 ASN A 81 11.329 8.024 -8.101 1.00 0.00 O ATOM 1260 ND2 ASN A 81 11.576 5.827 -8.531 1.00 0.00 N ATOM 0 H ASN A 81 9.639 5.683 -5.017 1.00 0.00 H new ATOM 0 HA ASN A 81 9.565 8.321 -6.358 1.00 0.00 H new ATOM 0 HB2 ASN A 81 9.409 5.477 -7.417 1.00 0.00 H new ATOM 0 HB3 ASN A 81 8.752 6.818 -8.333 1.00 0.00 H new ATOM 0 HD21 ASN A 81 12.521 5.944 -8.895 1.00 0.00 H new ATOM 0 HD22 ASN A 81 11.153 4.900 -8.499 1.00 0.00 H new ATOM 1267 N LYS A 82 6.985 8.072 -6.835 1.00 0.00 N ATOM 1268 CA LYS A 82 5.538 8.147 -6.728 1.00 0.00 C ATOM 1269 C LYS A 82 4.957 6.732 -6.723 1.00 0.00 C ATOM 1270 O LYS A 82 4.166 6.384 -5.847 1.00 0.00 O ATOM 1271 CB LYS A 82 4.966 9.043 -7.829 1.00 0.00 C ATOM 1272 CG LYS A 82 5.486 10.475 -7.696 1.00 0.00 C ATOM 1273 CD LYS A 82 5.161 11.295 -8.947 1.00 0.00 C ATOM 1274 CE LYS A 82 5.903 12.633 -8.933 1.00 0.00 C ATOM 1275 NZ LYS A 82 6.207 13.071 -10.314 1.00 0.00 N ATOM 0 H LYS A 82 7.392 8.677 -7.548 1.00 0.00 H new ATOM 0 HA LYS A 82 5.249 8.614 -5.786 1.00 0.00 H new ATOM 0 HB2 LYS A 82 5.238 8.643 -8.806 1.00 0.00 H new ATOM 0 HB3 LYS A 82 3.877 9.041 -7.775 1.00 0.00 H new ATOM 0 HG2 LYS A 82 5.040 10.948 -6.821 1.00 0.00 H new ATOM 0 HG3 LYS A 82 6.564 10.461 -7.536 1.00 0.00 H new ATOM 0 HD2 LYS A 82 5.437 10.731 -9.838 1.00 0.00 H new ATOM 0 HD3 LYS A 82 4.087 11.471 -9.002 1.00 0.00 H new ATOM 0 HE2 LYS A 82 5.296 13.387 -8.431 1.00 0.00 H new ATOM 0 HE3 LYS A 82 6.828 12.537 -8.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 6.711 13.981 -10.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 6.804 12.359 -10.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 5.320 13.182 -10.846 1.00 0.00 H new ATOM 1289 N LYS A 83 5.371 5.952 -7.711 1.00 0.00 N ATOM 1290 CA LYS A 83 4.902 4.583 -7.832 1.00 0.00 C ATOM 1291 C LYS A 83 5.136 3.850 -6.509 1.00 0.00 C ATOM 1292 O LYS A 83 4.187 3.533 -5.794 1.00 0.00 O ATOM 1293 CB LYS A 83 5.549 3.898 -9.037 1.00 0.00 C ATOM 1294 CG LYS A 83 4.641 3.979 -10.266 1.00 0.00 C ATOM 1295 CD LYS A 83 3.597 2.860 -10.251 1.00 0.00 C ATOM 1296 CE LYS A 83 2.735 2.898 -11.514 1.00 0.00 C ATOM 1297 NZ LYS A 83 3.357 2.095 -12.590 1.00 0.00 N ATOM 0 H LYS A 83 6.027 6.243 -8.436 1.00 0.00 H new ATOM 0 HA LYS A 83 3.829 4.564 -8.023 1.00 0.00 H new ATOM 0 HB2 LYS A 83 6.507 4.369 -9.257 1.00 0.00 H new ATOM 0 HB3 LYS A 83 5.754 2.854 -8.800 1.00 0.00 H new ATOM 0 HG2 LYS A 83 4.141 4.947 -10.290 1.00 0.00 H new ATOM 0 HG3 LYS A 83 5.242 3.908 -11.172 1.00 0.00 H new ATOM 0 HD2 LYS A 83 4.096 1.894 -10.176 1.00 0.00 H new ATOM 0 HD3 LYS A 83 2.963 2.961 -9.370 1.00 0.00 H new ATOM 0 HE2 LYS A 83 1.739 2.513 -11.294 1.00 0.00 H new ATOM 0 HE3 LYS A 83 2.612 3.929 -11.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 2.759 2.131 -13.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 4.297 2.480 -12.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 3.452 1.108 -12.276 1.00 0.00 H new ATOM 1311 N LEU A 84 6.406 3.602 -6.224 1.00 0.00 N ATOM 1312 CA LEU A 84 6.777 2.912 -5.000 1.00 0.00 C ATOM 1313 C LEU A 84 5.913 3.427 -3.847 1.00 0.00 C ATOM 1314 O LEU A 84 5.017 2.727 -3.378 1.00 0.00 O ATOM 1315 CB LEU A 84 8.281 3.042 -4.747 1.00 0.00 C ATOM 1316 CG LEU A 84 9.180 2.101 -5.551 1.00 0.00 C ATOM 1317 CD1 LEU A 84 10.646 2.531 -5.458 1.00 0.00 C ATOM 1318 CD2 LEU A 84 8.980 0.648 -5.117 1.00 0.00 C ATOM 0 H LEU A 84 7.191 3.866 -6.819 1.00 0.00 H new ATOM 0 HA LEU A 84 6.583 1.843 -5.091 1.00 0.00 H new ATOM 0 HB2 LEU A 84 8.578 4.068 -4.962 1.00 0.00 H new ATOM 0 HB3 LEU A 84 8.467 2.872 -3.687 1.00 0.00 H new ATOM 0 HG LEU A 84 8.891 2.166 -6.600 1.00 0.00 H new ATOM 0 HD11 LEU A 84 11.264 1.846 -6.038 1.00 0.00 H new ATOM 0 HD12 LEU A 84 10.755 3.541 -5.854 1.00 0.00 H new ATOM 0 HD13 LEU A 84 10.965 2.513 -4.416 1.00 0.00 H new ATOM 0 HD21 LEU A 84 9.631 0.000 -5.704 1.00 0.00 H new ATOM 0 HD22 LEU A 84 9.225 0.547 -4.060 1.00 0.00 H new ATOM 0 HD23 LEU A 84 7.941 0.360 -5.277 1.00 0.00 H new ATOM 1330 N ALA A 85 6.213 4.646 -3.424 1.00 0.00 N ATOM 1331 CA ALA A 85 5.474 5.263 -2.335 1.00 0.00 C ATOM 1332 C ALA A 85 3.995 4.891 -2.453 1.00 0.00 C ATOM 1333 O ALA A 85 3.439 4.249 -1.563 1.00 0.00 O ATOM 1334 CB ALA A 85 5.699 6.776 -2.358 1.00 0.00 C ATOM 0 H ALA A 85 6.957 5.223 -3.815 1.00 0.00 H new ATOM 0 HA ALA A 85 5.830 4.895 -1.373 1.00 0.00 H new ATOM 0 HB1 ALA A 85 5.145 7.239 -1.541 1.00 0.00 H new ATOM 0 HB2 ALA A 85 6.762 6.988 -2.241 1.00 0.00 H new ATOM 0 HB3 ALA A 85 5.351 7.181 -3.308 1.00 0.00 H new ATOM 1340 N ALA A 86 3.398 5.310 -3.560 1.00 0.00 N ATOM 1341 CA ALA A 86 1.994 5.029 -3.806 1.00 0.00 C ATOM 1342 C ALA A 86 1.680 3.599 -3.364 1.00 0.00 C ATOM 1343 O ALA A 86 0.809 3.382 -2.522 1.00 0.00 O ATOM 1344 CB ALA A 86 1.677 5.266 -5.284 1.00 0.00 C ATOM 0 H ALA A 86 3.862 5.842 -4.296 1.00 0.00 H new ATOM 0 HA ALA A 86 1.361 5.700 -3.226 1.00 0.00 H new ATOM 0 HB1 ALA A 86 0.624 5.055 -5.469 1.00 0.00 H new ATOM 0 HB2 ALA A 86 1.890 6.304 -5.540 1.00 0.00 H new ATOM 0 HB3 ALA A 86 2.292 4.608 -5.898 1.00 0.00 H new ATOM 1350 N GLN A 87 2.406 2.659 -3.951 1.00 0.00 N ATOM 1351 CA GLN A 87 2.215 1.255 -3.629 1.00 0.00 C ATOM 1352 C GLN A 87 2.231 1.052 -2.112 1.00 0.00 C ATOM 1353 O GLN A 87 1.438 0.279 -1.577 1.00 0.00 O ATOM 1354 CB GLN A 87 3.276 0.387 -4.309 1.00 0.00 C ATOM 1355 CG GLN A 87 2.648 -0.506 -5.381 1.00 0.00 C ATOM 1356 CD GLN A 87 3.416 -1.822 -5.517 1.00 0.00 C ATOM 1357 OE1 GLN A 87 2.898 -2.900 -5.276 1.00 0.00 O ATOM 1358 NE2 GLN A 87 4.676 -1.675 -5.916 1.00 0.00 N ATOM 0 H GLN A 87 3.128 2.842 -4.648 1.00 0.00 H new ATOM 0 HA GLN A 87 1.241 0.944 -4.008 1.00 0.00 H new ATOM 0 HB2 GLN A 87 4.037 1.023 -4.761 1.00 0.00 H new ATOM 0 HB3 GLN A 87 3.778 -0.231 -3.564 1.00 0.00 H new ATOM 0 HG2 GLN A 87 1.609 -0.712 -5.125 1.00 0.00 H new ATOM 0 HG3 GLN A 87 2.643 0.017 -6.337 1.00 0.00 H new ATOM 0 HE21 GLN A 87 5.047 -0.743 -6.101 1.00 0.00 H new ATOM 0 HE22 GLN A 87 5.271 -2.494 -6.037 1.00 0.00 H new ATOM 1367 N SER A 88 3.144 1.760 -1.462 1.00 0.00 N ATOM 1368 CA SER A 88 3.274 1.667 -0.018 1.00 0.00 C ATOM 1369 C SER A 88 2.036 2.260 0.658 1.00 0.00 C ATOM 1370 O SER A 88 1.413 1.614 1.499 1.00 0.00 O ATOM 1371 CB SER A 88 4.537 2.379 0.468 1.00 0.00 C ATOM 1372 OG SER A 88 5.399 1.504 1.191 1.00 0.00 O ATOM 0 H SER A 88 3.800 2.400 -1.909 1.00 0.00 H new ATOM 0 HA SER A 88 3.357 0.614 0.251 1.00 0.00 H new ATOM 0 HB2 SER A 88 5.073 2.791 -0.387 1.00 0.00 H new ATOM 0 HB3 SER A 88 4.258 3.219 1.104 1.00 0.00 H new ATOM 0 HG SER A 88 5.646 1.919 2.044 1.00 0.00 H new ATOM 1378 N CYS A 89 1.716 3.485 0.265 1.00 0.00 N ATOM 1379 CA CYS A 89 0.564 4.173 0.822 1.00 0.00 C ATOM 1380 C CYS A 89 -0.645 3.240 0.726 1.00 0.00 C ATOM 1381 O CYS A 89 -1.282 2.938 1.734 1.00 0.00 O ATOM 1382 CB CYS A 89 0.311 5.510 0.123 1.00 0.00 C ATOM 1383 SG CYS A 89 -0.519 6.669 1.271 1.00 0.00 S ATOM 0 H CYS A 89 2.235 4.018 -0.433 1.00 0.00 H new ATOM 0 HA CYS A 89 0.752 4.415 1.868 1.00 0.00 H new ATOM 0 HB2 CYS A 89 1.255 5.936 -0.218 1.00 0.00 H new ATOM 0 HB3 CYS A 89 -0.307 5.356 -0.762 1.00 0.00 H new ATOM 0 HG CYS A 89 0.314 7.030 2.201 1.00 0.00 H new ATOM 1389 N ALA A 90 -0.925 2.810 -0.496 1.00 0.00 N ATOM 1390 CA ALA A 90 -2.046 1.919 -0.737 1.00 0.00 C ATOM 1391 C ALA A 90 -2.018 0.782 0.288 1.00 0.00 C ATOM 1392 O ALA A 90 -2.912 0.675 1.126 1.00 0.00 O ATOM 1393 CB ALA A 90 -1.991 1.406 -2.177 1.00 0.00 C ATOM 0 H ALA A 90 -0.394 3.063 -1.330 1.00 0.00 H new ATOM 0 HA ALA A 90 -2.990 2.450 -0.616 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -2.833 0.737 -2.357 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -2.043 2.249 -2.866 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -1.058 0.866 -2.335 1.00 0.00 H new ATOM 1399 N LEU A 91 -0.982 -0.037 0.186 1.00 0.00 N ATOM 1400 CA LEU A 91 -0.826 -1.162 1.093 1.00 0.00 C ATOM 1401 C LEU A 91 -1.158 -0.712 2.518 1.00 0.00 C ATOM 1402 O LEU A 91 -1.679 -1.492 3.313 1.00 0.00 O ATOM 1403 CB LEU A 91 0.569 -1.775 0.951 1.00 0.00 C ATOM 1404 CG LEU A 91 0.880 -2.955 1.874 1.00 0.00 C ATOM 1405 CD1 LEU A 91 0.127 -4.211 1.431 1.00 0.00 C ATOM 1406 CD2 LEU A 91 2.388 -3.194 1.969 1.00 0.00 C ATOM 0 H LEU A 91 -0.242 0.056 -0.510 1.00 0.00 H new ATOM 0 HA LEU A 91 -1.526 -1.958 0.838 1.00 0.00 H new ATOM 0 HB2 LEU A 91 0.697 -2.103 -0.081 1.00 0.00 H new ATOM 0 HB3 LEU A 91 1.308 -0.994 1.131 1.00 0.00 H new ATOM 0 HG LEU A 91 0.530 -2.707 2.876 1.00 0.00 H new ATOM 0 HD11 LEU A 91 0.366 -5.035 2.104 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -0.946 -4.020 1.457 1.00 0.00 H new ATOM 0 HD13 LEU A 91 0.424 -4.474 0.416 1.00 0.00 H new ATOM 0 HD21 LEU A 91 2.582 -4.038 2.631 1.00 0.00 H new ATOM 0 HD22 LEU A 91 2.785 -3.412 0.978 1.00 0.00 H new ATOM 0 HD23 LEU A 91 2.873 -2.303 2.366 1.00 0.00 H new ATOM 1418 N SER A 92 -0.843 0.544 2.796 1.00 0.00 N ATOM 1419 CA SER A 92 -1.101 1.107 4.111 1.00 0.00 C ATOM 1420 C SER A 92 -2.603 1.092 4.401 1.00 0.00 C ATOM 1421 O SER A 92 -3.038 0.544 5.413 1.00 0.00 O ATOM 1422 CB SER A 92 -0.554 2.532 4.217 1.00 0.00 C ATOM 1423 OG SER A 92 -0.132 2.844 5.542 1.00 0.00 O ATOM 0 H SER A 92 -0.411 1.188 2.133 1.00 0.00 H new ATOM 0 HA SER A 92 -0.588 0.494 4.852 1.00 0.00 H new ATOM 0 HB2 SER A 92 0.285 2.650 3.532 1.00 0.00 H new ATOM 0 HB3 SER A 92 -1.322 3.240 3.905 1.00 0.00 H new ATOM 0 HG SER A 92 0.212 3.761 5.568 1.00 0.00 H new ATOM 1429 N LEU A 93 -3.355 1.699 3.494 1.00 0.00 N ATOM 1430 CA LEU A 93 -4.799 1.762 3.640 1.00 0.00 C ATOM 1431 C LEU A 93 -5.380 0.351 3.531 1.00 0.00 C ATOM 1432 O LEU A 93 -6.290 -0.009 4.277 1.00 0.00 O ATOM 1433 CB LEU A 93 -5.396 2.752 2.637 1.00 0.00 C ATOM 1434 CG LEU A 93 -4.870 4.186 2.717 1.00 0.00 C ATOM 1435 CD1 LEU A 93 -4.803 4.666 4.168 1.00 0.00 C ATOM 1436 CD2 LEU A 93 -3.521 4.316 2.007 1.00 0.00 C ATOM 0 H LEU A 93 -2.991 2.151 2.655 1.00 0.00 H new ATOM 0 HA LEU A 93 -5.066 2.142 4.626 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -5.213 2.374 1.631 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -6.477 2.774 2.778 1.00 0.00 H new ATOM 0 HG LEU A 93 -5.572 4.836 2.195 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -4.426 5.688 4.196 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -5.800 4.635 4.608 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -4.136 4.017 4.735 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -3.170 5.345 2.079 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -2.796 3.652 2.478 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -3.634 4.044 0.958 1.00 0.00 H new ATOM 1448 N VAL A 94 -4.831 -0.411 2.597 1.00 0.00 N ATOM 1449 CA VAL A 94 -5.283 -1.775 2.381 1.00 0.00 C ATOM 1450 C VAL A 94 -5.206 -2.547 3.700 1.00 0.00 C ATOM 1451 O VAL A 94 -6.234 -2.908 4.273 1.00 0.00 O ATOM 1452 CB VAL A 94 -4.470 -2.424 1.259 1.00 0.00 C ATOM 1453 CG1 VAL A 94 -4.797 -3.914 1.138 1.00 0.00 C ATOM 1454 CG2 VAL A 94 -4.697 -1.703 -0.070 1.00 0.00 C ATOM 0 H VAL A 94 -4.076 -0.110 1.980 1.00 0.00 H new ATOM 0 HA VAL A 94 -6.324 -1.787 2.058 1.00 0.00 H new ATOM 0 HB VAL A 94 -3.414 -2.332 1.513 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -4.206 -4.352 0.334 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -4.561 -4.416 2.076 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -5.857 -4.037 0.918 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -4.108 -2.184 -0.850 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -5.754 -1.749 -0.333 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -4.392 -0.661 0.025 1.00 0.00 H new ATOM 1464 N ARG A 95 -3.979 -2.779 4.142 1.00 0.00 N ATOM 1465 CA ARG A 95 -3.755 -3.502 5.383 1.00 0.00 C ATOM 1466 C ARG A 95 -4.799 -3.101 6.427 1.00 0.00 C ATOM 1467 O ARG A 95 -5.506 -3.953 6.963 1.00 0.00 O ATOM 1468 CB ARG A 95 -2.356 -3.225 5.937 1.00 0.00 C ATOM 1469 CG ARG A 95 -1.285 -3.912 5.089 1.00 0.00 C ATOM 1470 CD ARG A 95 0.111 -3.670 5.667 1.00 0.00 C ATOM 1471 NE ARG A 95 0.612 -2.344 5.243 1.00 0.00 N ATOM 1472 CZ ARG A 95 1.909 -2.013 5.188 1.00 0.00 C ATOM 1473 NH1 ARG A 95 2.844 -2.910 5.529 1.00 0.00 N ATOM 1474 NH2 ARG A 95 2.271 -0.786 4.791 1.00 0.00 N ATOM 0 H ARG A 95 -3.130 -2.479 3.663 1.00 0.00 H new ATOM 0 HA ARG A 95 -3.843 -4.567 5.167 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -2.175 -2.150 5.957 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -2.292 -3.578 6.966 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -1.483 -4.983 5.044 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -1.329 -3.536 4.067 1.00 0.00 H new ATOM 0 HD2 ARG A 95 0.077 -3.724 6.755 1.00 0.00 H new ATOM 0 HD3 ARG A 95 0.793 -4.450 5.330 1.00 0.00 H new ATOM 0 HE ARG A 95 -0.073 -1.637 4.976 1.00 0.00 H new ATOM 0 HH11 ARG A 95 2.568 -3.845 5.830 1.00 0.00 H new ATOM 0 HH12 ARG A 95 3.832 -2.658 5.487 1.00 0.00 H new ATOM 0 HH21 ARG A 95 1.559 -0.104 4.531 1.00 0.00 H new ATOM 0 HH22 ARG A 95 3.259 -0.534 4.749 1.00 0.00 H new ATOM 1488 N GLN A 96 -4.863 -1.803 6.685 1.00 0.00 N ATOM 1489 CA GLN A 96 -5.809 -1.278 7.655 1.00 0.00 C ATOM 1490 C GLN A 96 -7.230 -1.727 7.308 1.00 0.00 C ATOM 1491 O GLN A 96 -7.944 -2.252 8.160 1.00 0.00 O ATOM 1492 CB GLN A 96 -5.720 0.247 7.738 1.00 0.00 C ATOM 1493 CG GLN A 96 -4.706 0.681 8.799 1.00 0.00 C ATOM 1494 CD GLN A 96 -3.375 1.076 8.156 1.00 0.00 C ATOM 1495 OE1 GLN A 96 -3.441 2.172 7.406 1.00 0.00 O flip ATOM 1496 NE2 GLN A 96 -2.356 0.429 8.330 1.00 0.00 N flip ATOM 0 H GLN A 96 -4.275 -1.099 6.239 1.00 0.00 H new ATOM 0 HA GLN A 96 -5.553 -1.678 8.636 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -5.432 0.651 6.768 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -6.700 0.659 7.977 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -5.104 1.523 9.365 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -4.545 -0.132 9.507 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -2.375 -0.404 8.919 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -1.485 0.721 7.887 1.00 0.00 H new ATOM 1505 N LEU A 97 -7.597 -1.503 6.055 1.00 0.00 N ATOM 1506 CA LEU A 97 -8.920 -1.878 5.585 1.00 0.00 C ATOM 1507 C LEU A 97 -9.216 -3.319 6.004 1.00 0.00 C ATOM 1508 O LEU A 97 -10.275 -3.601 6.563 1.00 0.00 O ATOM 1509 CB LEU A 97 -9.040 -1.639 4.078 1.00 0.00 C ATOM 1510 CG LEU A 97 -9.157 -0.178 3.638 1.00 0.00 C ATOM 1511 CD1 LEU A 97 -8.787 -0.019 2.162 1.00 0.00 C ATOM 1512 CD2 LEU A 97 -10.550 0.376 3.942 1.00 0.00 C ATOM 0 H LEU A 97 -7.002 -1.067 5.351 1.00 0.00 H new ATOM 0 HA LEU A 97 -9.681 -1.249 6.047 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -8.169 -2.076 3.590 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -9.914 -2.179 3.713 1.00 0.00 H new ATOM 0 HG LEU A 97 -8.443 0.411 4.214 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -8.878 1.028 1.875 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -7.760 -0.350 2.007 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -9.459 -0.623 1.551 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -10.606 1.416 3.620 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -11.299 -0.210 3.409 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -10.739 0.318 5.014 1.00 0.00 H new ATOM 1524 N TYR A 98 -8.262 -4.193 5.720 1.00 0.00 N ATOM 1525 CA TYR A 98 -8.408 -5.598 6.061 1.00 0.00 C ATOM 1526 C TYR A 98 -8.477 -5.789 7.577 1.00 0.00 C ATOM 1527 O TYR A 98 -9.433 -6.370 8.090 1.00 0.00 O ATOM 1528 CB TYR A 98 -7.153 -6.293 5.528 1.00 0.00 C ATOM 1529 CG TYR A 98 -6.736 -7.526 6.331 1.00 0.00 C ATOM 1530 CD1 TYR A 98 -7.231 -8.770 5.994 1.00 0.00 C ATOM 1531 CD2 TYR A 98 -5.866 -7.395 7.394 1.00 0.00 C ATOM 1532 CE1 TYR A 98 -6.838 -9.930 6.751 1.00 0.00 C ATOM 1533 CE2 TYR A 98 -5.473 -8.556 8.151 1.00 0.00 C ATOM 1534 CZ TYR A 98 -5.979 -9.766 7.792 1.00 0.00 C ATOM 1535 OH TYR A 98 -5.608 -10.862 8.507 1.00 0.00 O ATOM 0 H TYR A 98 -7.385 -3.955 5.257 1.00 0.00 H new ATOM 0 HA TYR A 98 -9.325 -6.004 5.634 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -7.325 -6.588 4.493 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -6.329 -5.579 5.524 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -7.913 -8.873 5.163 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -5.480 -6.422 7.659 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -7.217 -10.909 6.497 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -4.792 -8.467 8.985 1.00 0.00 H new ATOM 0 HH TYR A 98 -6.202 -11.611 8.290 1.00 0.00 H new ATOM 1545 N HIS A 99 -7.452 -5.290 8.252 1.00 0.00 N ATOM 1546 CA HIS A 99 -7.385 -5.400 9.699 1.00 0.00 C ATOM 1547 C HIS A 99 -8.771 -5.151 10.298 1.00 0.00 C ATOM 1548 O HIS A 99 -9.256 -5.947 11.101 1.00 0.00 O ATOM 1549 CB HIS A 99 -6.318 -4.461 10.266 1.00 0.00 C ATOM 1550 CG HIS A 99 -6.856 -3.428 11.227 1.00 0.00 C ATOM 1551 ND1 HIS A 99 -7.634 -3.757 12.323 1.00 0.00 N ATOM 1552 CD2 HIS A 99 -6.719 -2.071 11.246 1.00 0.00 C ATOM 1553 CE1 HIS A 99 -7.947 -2.641 12.964 1.00 0.00 C ATOM 1554 NE2 HIS A 99 -7.379 -1.597 12.295 1.00 0.00 N ATOM 0 H HIS A 99 -6.661 -4.809 7.824 1.00 0.00 H new ATOM 0 HA HIS A 99 -7.083 -6.410 9.976 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -5.559 -5.055 10.775 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -5.822 -3.951 9.440 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -6.167 -1.482 10.529 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -8.547 -2.570 13.859 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -7.450 -0.614 12.558 1.00 0.00 H new ATOM 1562 N LEU A 100 -9.369 -4.044 9.884 1.00 0.00 N ATOM 1563 CA LEU A 100 -10.690 -3.681 10.369 1.00 0.00 C ATOM 1564 C LEU A 100 -11.715 -4.691 9.849 1.00 0.00 C ATOM 1565 O LEU A 100 -12.628 -5.083 10.574 1.00 0.00 O ATOM 1566 CB LEU A 100 -11.015 -2.232 10.003 1.00 0.00 C ATOM 1567 CG LEU A 100 -10.267 -1.156 10.793 1.00 0.00 C ATOM 1568 CD1 LEU A 100 -10.159 0.140 9.988 1.00 0.00 C ATOM 1569 CD2 LEU A 100 -10.915 -0.930 12.160 1.00 0.00 C ATOM 0 H LEU A 100 -8.963 -3.386 9.218 1.00 0.00 H new ATOM 0 HA LEU A 100 -10.722 -3.726 11.458 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -10.803 -2.090 8.943 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -12.085 -2.075 10.138 1.00 0.00 H new ATOM 0 HG LEU A 100 -9.251 -1.508 10.973 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -9.623 0.888 10.573 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -9.619 -0.051 9.061 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -11.158 0.509 9.756 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -10.364 -0.161 12.701 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -11.948 -0.609 12.024 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -10.895 -1.859 12.730 1.00 0.00 H new ATOM 1581 N GLY A 101 -11.529 -5.084 8.597 1.00 0.00 N ATOM 1582 CA GLY A 101 -12.426 -6.041 7.973 1.00 0.00 C ATOM 1583 C GLY A 101 -13.235 -5.384 6.852 1.00 0.00 C ATOM 1584 O GLY A 101 -14.443 -5.590 6.751 1.00 0.00 O ATOM 0 H GLY A 101 -10.771 -4.757 7.999 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -11.851 -6.875 7.571 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -13.103 -6.452 8.722 1.00 0.00 H new ATOM 1588 N VAL A 102 -12.535 -4.607 6.039 1.00 0.00 N ATOM 1589 CA VAL A 102 -13.174 -3.918 4.930 1.00 0.00 C ATOM 1590 C VAL A 102 -12.941 -4.710 3.642 1.00 0.00 C ATOM 1591 O VAL A 102 -13.889 -5.205 3.034 1.00 0.00 O ATOM 1592 CB VAL A 102 -12.664 -2.478 4.846 1.00 0.00 C ATOM 1593 CG1 VAL A 102 -13.271 -1.751 3.644 1.00 0.00 C ATOM 1594 CG2 VAL A 102 -12.946 -1.720 6.145 1.00 0.00 C ATOM 0 H VAL A 102 -11.533 -4.439 6.126 1.00 0.00 H new ATOM 0 HA VAL A 102 -14.251 -3.859 5.086 1.00 0.00 H new ATOM 0 HB VAL A 102 -11.584 -2.513 4.706 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -12.892 -0.730 3.607 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -12.997 -2.273 2.727 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -14.357 -1.732 3.740 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -12.574 -0.699 6.059 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -14.020 -1.700 6.329 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -12.445 -2.220 6.974 1.00 0.00 H new ATOM 1604 N ILE A 103 -11.675 -4.807 3.264 1.00 0.00 N ATOM 1605 CA ILE A 103 -11.307 -5.531 2.059 1.00 0.00 C ATOM 1606 C ILE A 103 -11.534 -7.028 2.279 1.00 0.00 C ATOM 1607 O ILE A 103 -12.097 -7.431 3.296 1.00 0.00 O ATOM 1608 CB ILE A 103 -9.877 -5.181 1.641 1.00 0.00 C ATOM 1609 CG1 ILE A 103 -8.990 -4.943 2.864 1.00 0.00 C ATOM 1610 CG2 ILE A 103 -9.863 -3.989 0.681 1.00 0.00 C ATOM 1611 CD1 ILE A 103 -7.520 -5.214 2.537 1.00 0.00 C ATOM 0 H ILE A 103 -10.891 -4.396 3.771 1.00 0.00 H new ATOM 0 HA ILE A 103 -11.942 -5.231 1.225 1.00 0.00 H new ATOM 0 HB ILE A 103 -9.460 -6.033 1.103 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -9.106 -3.915 3.207 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -9.310 -5.590 3.681 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -8.835 -3.761 0.399 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -10.438 -4.234 -0.212 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -10.306 -3.122 1.171 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -6.911 -5.037 3.424 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -7.403 -6.250 2.217 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -7.197 -4.549 1.737 1.00 0.00 H new ATOM 1623 N GLU A 104 -11.086 -7.811 1.309 1.00 0.00 N ATOM 1624 CA GLU A 104 -11.233 -9.254 1.384 1.00 0.00 C ATOM 1625 C GLU A 104 -9.880 -9.913 1.659 1.00 0.00 C ATOM 1626 O GLU A 104 -9.186 -9.543 2.605 1.00 0.00 O ATOM 1627 CB GLU A 104 -11.863 -9.808 0.105 1.00 0.00 C ATOM 1628 CG GLU A 104 -12.283 -11.268 0.287 1.00 0.00 C ATOM 1629 CD GLU A 104 -13.805 -11.413 0.219 1.00 0.00 C ATOM 1630 OE1 GLU A 104 -14.445 -11.173 1.265 1.00 0.00 O ATOM 1631 OE2 GLU A 104 -14.293 -11.761 -0.878 1.00 0.00 O ATOM 0 H GLU A 104 -10.621 -7.473 0.467 1.00 0.00 H new ATOM 0 HA GLU A 104 -11.903 -9.488 2.211 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -12.731 -9.207 -0.166 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -11.152 -9.730 -0.718 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -11.821 -11.882 -0.486 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -11.921 -11.637 1.247 1.00 0.00 H new ATOM 1638 N ALA A 105 -9.545 -10.877 0.814 1.00 0.00 N ATOM 1639 CA ALA A 105 -8.287 -11.591 0.954 1.00 0.00 C ATOM 1640 C ALA A 105 -7.869 -12.151 -0.407 1.00 0.00 C ATOM 1641 O ALA A 105 -8.697 -12.689 -1.141 1.00 0.00 O ATOM 1642 CB ALA A 105 -8.435 -12.685 2.014 1.00 0.00 C ATOM 0 H ALA A 105 -10.123 -11.180 0.030 1.00 0.00 H new ATOM 0 HA ALA A 105 -7.499 -10.917 1.289 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -7.491 -13.220 2.119 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -8.703 -12.233 2.969 1.00 0.00 H new ATOM 0 HB3 ALA A 105 -9.216 -13.382 1.711 1.00 0.00 H new ATOM 1648 N TYR A 106 -6.586 -12.005 -0.703 1.00 0.00 N ATOM 1649 CA TYR A 106 -6.049 -12.490 -1.963 1.00 0.00 C ATOM 1650 C TYR A 106 -6.263 -13.998 -2.106 1.00 0.00 C ATOM 1651 O TYR A 106 -7.284 -14.528 -1.670 1.00 0.00 O ATOM 1652 CB TYR A 106 -4.547 -12.202 -1.919 1.00 0.00 C ATOM 1653 CG TYR A 106 -3.905 -12.036 -3.298 1.00 0.00 C ATOM 1654 CD1 TYR A 106 -4.481 -11.197 -4.231 1.00 0.00 C ATOM 1655 CD2 TYR A 106 -2.750 -12.725 -3.609 1.00 0.00 C ATOM 1656 CE1 TYR A 106 -3.876 -11.041 -5.528 1.00 0.00 C ATOM 1657 CE2 TYR A 106 -2.146 -12.568 -4.907 1.00 0.00 C ATOM 1658 CZ TYR A 106 -2.739 -11.734 -5.802 1.00 0.00 C ATOM 1659 OH TYR A 106 -2.168 -11.586 -7.028 1.00 0.00 O ATOM 0 H TYR A 106 -5.903 -11.558 -0.092 1.00 0.00 H new ATOM 0 HA TYR A 106 -6.544 -12.004 -2.804 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -4.378 -11.295 -1.339 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -4.047 -13.015 -1.392 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -5.385 -10.658 -3.988 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -2.299 -13.381 -2.879 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -4.316 -10.388 -6.267 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -1.242 -13.101 -5.164 1.00 0.00 H new ATOM 0 HH TYR A 106 -1.361 -12.140 -7.082 1.00 0.00 H new ATOM 1669 N SER A 107 -5.284 -14.647 -2.719 1.00 0.00 N ATOM 1670 CA SER A 107 -5.352 -16.083 -2.926 1.00 0.00 C ATOM 1671 C SER A 107 -3.944 -16.655 -3.099 1.00 0.00 C ATOM 1672 O SER A 107 -3.761 -17.674 -3.763 1.00 0.00 O ATOM 1673 CB SER A 107 -6.217 -16.425 -4.141 1.00 0.00 C ATOM 1674 OG SER A 107 -7.307 -17.276 -3.799 1.00 0.00 O ATOM 0 H SER A 107 -4.439 -14.204 -3.079 1.00 0.00 H new ATOM 0 HA SER A 107 -5.814 -16.533 -2.047 1.00 0.00 H new ATOM 0 HB2 SER A 107 -6.600 -15.505 -4.583 1.00 0.00 H new ATOM 0 HB3 SER A 107 -5.602 -16.911 -4.898 1.00 0.00 H new ATOM 0 HG SER A 107 -7.835 -17.469 -4.601 1.00 0.00 H new ATOM 1680 N SER A 108 -2.984 -15.973 -2.491 1.00 0.00 N ATOM 1681 CA SER A 108 -1.597 -16.400 -2.569 1.00 0.00 C ATOM 1682 C SER A 108 -1.298 -17.411 -1.461 1.00 0.00 C ATOM 1683 O SER A 108 -0.660 -18.435 -1.705 1.00 0.00 O ATOM 1684 CB SER A 108 -0.647 -15.206 -2.469 1.00 0.00 C ATOM 1685 OG SER A 108 -0.445 -14.577 -3.732 1.00 0.00 O ATOM 0 H SER A 108 -3.139 -15.127 -1.942 1.00 0.00 H new ATOM 0 HA SER A 108 -1.439 -16.875 -3.537 1.00 0.00 H new ATOM 0 HB2 SER A 108 -1.050 -14.480 -1.763 1.00 0.00 H new ATOM 0 HB3 SER A 108 0.312 -15.538 -2.072 1.00 0.00 H new ATOM 0 HG SER A 108 -0.941 -13.732 -3.760 1.00 0.00 H new ATOM 1691 N GLY A 109 -1.772 -17.090 -0.266 1.00 0.00 N ATOM 1692 CA GLY A 109 -1.563 -17.957 0.880 1.00 0.00 C ATOM 1693 C GLY A 109 -0.132 -18.501 0.903 1.00 0.00 C ATOM 1694 O GLY A 109 0.738 -17.996 0.196 1.00 0.00 O ATOM 0 H GLY A 109 -2.300 -16.241 -0.067 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -1.761 -17.405 1.799 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -2.270 -18.786 0.847 1.00 0.00 H new ATOM 1698 N PRO A 110 0.071 -19.549 1.745 1.00 0.00 N ATOM 1699 CA PRO A 110 1.381 -20.166 1.869 1.00 0.00 C ATOM 1700 C PRO A 110 1.693 -21.038 0.652 1.00 0.00 C ATOM 1701 O PRO A 110 1.249 -22.183 0.573 1.00 0.00 O ATOM 1702 CB PRO A 110 1.322 -20.956 3.166 1.00 0.00 C ATOM 1703 CG PRO A 110 -0.155 -21.131 3.481 1.00 0.00 C ATOM 1704 CD PRO A 110 -0.937 -20.173 2.598 1.00 0.00 C ATOM 0 HA PRO A 110 2.189 -19.435 1.899 1.00 0.00 H new ATOM 0 HB2 PRO A 110 1.815 -21.922 3.058 1.00 0.00 H new ATOM 0 HB3 PRO A 110 1.833 -20.426 3.970 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -0.465 -22.160 3.297 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -0.348 -20.924 4.534 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -1.685 -20.701 2.006 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -1.468 -19.430 3.193 1.00 0.00 H new ATOM 1712 N SER A 111 2.456 -20.464 -0.267 1.00 0.00 N ATOM 1713 CA SER A 111 2.833 -21.175 -1.477 1.00 0.00 C ATOM 1714 C SER A 111 4.307 -21.579 -1.408 1.00 0.00 C ATOM 1715 O SER A 111 5.102 -20.927 -0.732 1.00 0.00 O ATOM 1716 CB SER A 111 2.574 -20.322 -2.721 1.00 0.00 C ATOM 1717 OG SER A 111 2.937 -21.002 -3.919 1.00 0.00 O ATOM 0 H SER A 111 2.823 -19.515 -0.198 1.00 0.00 H new ATOM 0 HA SER A 111 2.219 -22.073 -1.551 1.00 0.00 H new ATOM 0 HB2 SER A 111 1.519 -20.053 -2.763 1.00 0.00 H new ATOM 0 HB3 SER A 111 3.138 -19.392 -2.647 1.00 0.00 H new ATOM 0 HG SER A 111 2.755 -20.426 -4.690 1.00 0.00 H new ATOM 1723 N SER A 112 4.628 -22.651 -2.117 1.00 0.00 N ATOM 1724 CA SER A 112 5.993 -23.149 -2.145 1.00 0.00 C ATOM 1725 C SER A 112 6.416 -23.593 -0.744 1.00 0.00 C ATOM 1726 O SER A 112 6.264 -22.845 0.221 1.00 0.00 O ATOM 1727 CB SER A 112 6.956 -22.087 -2.680 1.00 0.00 C ATOM 1728 OG SER A 112 8.317 -22.432 -2.440 1.00 0.00 O ATOM 0 H SER A 112 3.966 -23.189 -2.677 1.00 0.00 H new ATOM 0 HA SER A 112 6.031 -24.006 -2.817 1.00 0.00 H new ATOM 0 HB2 SER A 112 6.797 -21.960 -3.751 1.00 0.00 H new ATOM 0 HB3 SER A 112 6.736 -21.129 -2.210 1.00 0.00 H new ATOM 0 HG SER A 112 8.900 -21.730 -2.797 1.00 0.00 H new ATOM 1734 N GLY A 113 6.940 -24.808 -0.676 1.00 0.00 N ATOM 1735 CA GLY A 113 7.387 -25.361 0.591 1.00 0.00 C ATOM 1736 C GLY A 113 6.852 -26.781 0.789 1.00 0.00 C ATOM 1737 O GLY A 113 7.349 -27.726 0.178 1.00 0.00 O ATOM 0 H GLY A 113 7.065 -25.425 -1.478 1.00 0.00 H new ATOM 0 HA2 GLY A 113 8.476 -25.371 0.623 1.00 0.00 H new ATOM 0 HA3 GLY A 113 7.050 -24.724 1.409 1.00 0.00 H new TER 1741 GLY A 113