USER MOD reduce.3.24.130724 H: found=0, std=0, add=732, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 730 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 90 GLN : amide:sc= 0.874 K(o=2.1,f=-2.2!) USER MOD Set 1.2: A 94 HIS : no HE2:sc= 1.25 K(o=2.1,f=-5.7!) USER MOD Set 2.1: A 44 ASN : amide:sc= 0.826 K(o=1.9,f=-3) USER MOD Set 2.2: A 47 LYS NZ :NH3+ -135:sc= 1.11 (180deg=0.0338) USER MOD Set 3.1: A 27 LYS NZ :NH3+ -128:sc= 0.433 (180deg=-1.19!) USER MOD Set 3.2: A 31 SER OG : rot 71:sc= 1.77 USER MOD Single : A 10 HIS :FLIP no HD1:sc= -0.0225 F(o=-1.3,f=-0.022) USER MOD Single : A 11 GLN : amide:sc= -0.451! C(o=-0.45!,f=-0.71!) USER MOD Single : A 16 MET CE :methyl 180:sc= -0.405 (180deg=-0.405) USER MOD Single : A 21 SER OG : rot 83:sc= 0.449 USER MOD Single : A 24 LYS NZ :NH3+ 168:sc= -0.0615 (180deg=-0.278) USER MOD Single : A 26 LYS NZ :NH3+ -126:sc= -0.878 (180deg=-1.42!) USER MOD Single : A 32 SER OG : rot 72:sc= 0.645 USER MOD Single : A 43 GLN : amide:sc= -0.315 X(o=-0.32,f=-0.34) USER MOD Single : A 48 LYS NZ :NH3+ 149:sc= -0.761 (180deg=-1.87) USER MOD Single : A 49 HIS : no HE2:sc= -1.27 K(o=-1.3,f=-4.1) USER MOD Single : A 50 LYS NZ :NH3+ -131:sc= 0.431 (180deg=-0.771) USER MOD Single : A 59 HIS : no HD1:sc= -5.23! C(o=-5.2!,f=-21!) USER MOD Single : A 64 GLN : amide:sc= -0.337 X(o=-0.34,f=-0.56) USER MOD Single : A 69 THR OG1 : rot 75:sc= 0.786 USER MOD Single : A 71 LYS NZ :NH3+ -167:sc= 0.717 (180deg=0.444) USER MOD Single : A 72 LYS NZ :NH3+ -129:sc= 1.2 (180deg=-3.57!) USER MOD Single : A 74 SER OG : rot 75:sc= 0.489 USER MOD Single : A 77 ASN : amide:sc= 0.259 X(o=0.26,f=0) USER MOD Single : A 78 THR OG1 : rot 86:sc= 0.818 USER MOD Single : A 81 LYS NZ :NH3+ 133:sc= 0.801 (180deg=-1.07) USER MOD Single : A 85 GLN : amide:sc= -0.322 K(o=-0.32,f=-1.3) USER MOD Single : A 86 GLN :FLIP amide:sc= -0.323 F(o=-1.4,f=-0.32) USER MOD Single : A 96 LYS NZ :NH3+ 146:sc= -1.93! (180deg=-3.3!) USER MOD Single : A 99 LYS NZ :NH3+ 179:sc= -0.46! (180deg=-0.514!) USER MOD Single : A 100 GLN :FLIP amide:sc= -0.651 F(o=-1.6,f=-0.65) USER MOD Single : A 107 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 10 23.539 -8.894 -15.430 1.00 1.70 N ATOM 2 CA HIS A 10 22.895 -10.194 -15.563 1.00 1.73 C ATOM 3 C HIS A 10 23.781 -11.262 -14.938 1.00 1.58 C ATOM 4 O HIS A 10 23.313 -12.336 -14.559 1.00 1.52 O ATOM 5 CB HIS A 10 22.570 -10.532 -17.025 1.00 2.04 C ATOM 6 CG HIS A 10 23.704 -10.360 -17.991 1.00 2.54 C ATOM 7 ND1 HIS A 10 25.030 -10.631 -17.864 1.00 3.19 N flip ATOM 8 CD2 HIS A 10 23.537 -9.894 -19.276 1.00 3.29 C flip ATOM 9 CE1 HIS A 10 25.672 -10.335 -19.066 1.00 4.01 C flip ATOM 10 NE2 HIS A 10 24.731 -9.900 -19.876 1.00 4.11 N flip ATOM 0 HA HIS A 10 21.942 -10.159 -15.035 1.00 1.73 H new ATOM 0 HB2 HIS A 10 22.227 -11.565 -17.074 1.00 2.04 H new ATOM 0 HB3 HIS A 10 21.740 -9.905 -17.350 1.00 2.04 H new ATOM 0 HD2 HIS A 10 22.605 -9.579 -19.721 1.00 3.29 H new ATOM 0 HE1 HIS A 10 26.724 -10.441 -19.286 1.00 4.01 H new ATOM 0 HE2 HIS A 10 24.892 -9.605 -20.839 1.00 4.11 H new ATOM 18 N GLN A 11 25.068 -10.941 -14.812 1.00 1.60 N ATOM 19 CA GLN A 11 26.025 -11.847 -14.206 1.00 1.56 C ATOM 20 C GLN A 11 25.741 -11.979 -12.723 1.00 1.29 C ATOM 21 O GLN A 11 25.718 -13.082 -12.201 1.00 1.26 O ATOM 22 CB GLN A 11 27.458 -11.353 -14.409 1.00 1.75 C ATOM 23 CG GLN A 11 28.502 -12.462 -14.510 1.00 2.28 C ATOM 24 CD GLN A 11 27.985 -13.723 -15.177 1.00 3.08 C ATOM 25 OE1 GLN A 11 27.804 -13.768 -16.394 1.00 3.64 O ATOM 26 NE2 GLN A 11 27.742 -14.755 -14.379 1.00 3.73 N ATOM 0 H GLN A 11 25.467 -10.056 -15.125 1.00 1.60 H new ATOM 0 HA GLN A 11 25.923 -12.819 -14.689 1.00 1.56 H new ATOM 0 HB2 GLN A 11 27.496 -10.752 -15.317 1.00 1.75 H new ATOM 0 HB3 GLN A 11 27.723 -10.696 -13.581 1.00 1.75 H new ATOM 0 HG2 GLN A 11 29.361 -12.091 -15.069 1.00 2.28 H new ATOM 0 HG3 GLN A 11 28.856 -12.709 -13.509 1.00 2.28 H new ATOM 0 HE21 GLN A 11 27.906 -14.674 -13.376 1.00 3.73 H new ATOM 0 HE22 GLN A 11 27.391 -15.630 -14.769 1.00 3.73 H new ATOM 35 N PHE A 12 25.513 -10.852 -12.037 1.00 1.14 N ATOM 36 CA PHE A 12 25.232 -10.904 -10.612 1.00 0.98 C ATOM 37 C PHE A 12 24.182 -11.964 -10.337 1.00 0.94 C ATOM 38 O PHE A 12 24.373 -12.823 -9.487 1.00 0.91 O ATOM 39 CB PHE A 12 24.766 -9.553 -10.059 1.00 0.98 C ATOM 40 CG PHE A 12 24.382 -9.645 -8.606 1.00 0.86 C ATOM 41 CD1 PHE A 12 25.352 -9.861 -7.638 1.00 0.83 C ATOM 42 CD2 PHE A 12 23.056 -9.552 -8.210 1.00 0.86 C ATOM 43 CE1 PHE A 12 25.009 -9.978 -6.306 1.00 0.77 C ATOM 44 CE2 PHE A 12 22.707 -9.674 -6.876 1.00 0.82 C ATOM 45 CZ PHE A 12 23.687 -9.886 -5.923 1.00 0.76 C ATOM 0 H PHE A 12 25.519 -9.916 -12.442 1.00 1.14 H new ATOM 0 HA PHE A 12 26.162 -11.158 -10.104 1.00 0.98 H new ATOM 0 HB2 PHE A 12 25.562 -8.818 -10.179 1.00 0.98 H new ATOM 0 HB3 PHE A 12 23.914 -9.198 -10.638 1.00 0.98 H new ATOM 0 HD1 PHE A 12 26.389 -9.939 -7.930 1.00 0.83 H new ATOM 0 HD2 PHE A 12 22.288 -9.383 -8.950 1.00 0.86 H new ATOM 0 HE1 PHE A 12 25.776 -10.142 -5.563 1.00 0.77 H new ATOM 0 HE2 PHE A 12 21.671 -9.604 -6.580 1.00 0.82 H new ATOM 0 HZ PHE A 12 23.418 -9.979 -4.881 1.00 0.76 H new ATOM 55 N PHE A 13 23.078 -11.915 -11.078 1.00 1.03 N ATOM 56 CA PHE A 13 22.019 -12.901 -10.908 1.00 1.16 C ATOM 57 C PHE A 13 22.615 -14.300 -10.957 1.00 1.12 C ATOM 58 O PHE A 13 22.388 -15.117 -10.063 1.00 1.08 O ATOM 59 CB PHE A 13 20.945 -12.734 -11.985 1.00 1.42 C ATOM 60 CG PHE A 13 19.949 -11.663 -11.652 1.00 1.67 C ATOM 61 CD1 PHE A 13 18.835 -11.949 -10.879 1.00 2.16 C ATOM 62 CD2 PHE A 13 20.116 -10.372 -12.130 1.00 1.91 C ATOM 63 CE1 PHE A 13 17.906 -10.968 -10.588 1.00 2.70 C ATOM 64 CE2 PHE A 13 19.191 -9.387 -11.840 1.00 2.42 C ATOM 65 CZ PHE A 13 18.123 -9.672 -10.999 1.00 2.77 C ATOM 0 H PHE A 13 22.896 -11.211 -11.793 1.00 1.03 H new ATOM 0 HA PHE A 13 21.545 -12.749 -9.938 1.00 1.16 H new ATOM 0 HB2 PHE A 13 21.424 -12.496 -12.935 1.00 1.42 H new ATOM 0 HB3 PHE A 13 20.422 -13.681 -12.120 1.00 1.42 H new ATOM 0 HD1 PHE A 13 18.691 -12.950 -10.500 1.00 2.16 H new ATOM 0 HD2 PHE A 13 20.978 -10.134 -12.735 1.00 1.91 H new ATOM 0 HE1 PHE A 13 17.010 -11.218 -10.039 1.00 2.70 H new ATOM 0 HE2 PHE A 13 19.298 -8.400 -12.265 1.00 2.42 H new ATOM 0 HZ PHE A 13 17.466 -8.881 -10.669 1.00 2.77 H new ATOM 75 N ARG A 14 23.405 -14.561 -11.998 1.00 1.21 N ATOM 76 CA ARG A 14 24.063 -15.850 -12.149 1.00 1.30 C ATOM 77 C ARG A 14 24.897 -16.154 -10.908 1.00 1.14 C ATOM 78 O ARG A 14 24.706 -17.182 -10.260 1.00 1.12 O ATOM 79 CB ARG A 14 24.950 -15.866 -13.401 1.00 1.55 C ATOM 80 CG ARG A 14 24.475 -16.832 -14.479 1.00 1.71 C ATOM 81 CD ARG A 14 24.977 -18.244 -14.224 1.00 2.48 C ATOM 82 NE ARG A 14 24.639 -18.713 -12.882 1.00 2.80 N ATOM 83 CZ ARG A 14 25.380 -19.570 -12.186 1.00 3.53 C ATOM 84 NH1 ARG A 14 26.493 -20.060 -12.710 1.00 3.79 N ATOM 85 NH2 ARG A 14 25.014 -19.936 -10.965 1.00 4.35 N ATOM 0 H ARG A 14 23.602 -13.896 -12.746 1.00 1.21 H new ATOM 0 HA ARG A 14 23.299 -16.619 -12.264 1.00 1.30 H new ATOM 0 HB2 ARG A 14 24.990 -14.860 -13.819 1.00 1.55 H new ATOM 0 HB3 ARG A 14 25.967 -16.131 -13.111 1.00 1.55 H new ATOM 0 HG2 ARG A 14 23.386 -16.833 -14.513 1.00 1.71 H new ATOM 0 HG3 ARG A 14 24.824 -16.491 -15.454 1.00 1.71 H new ATOM 0 HD2 ARG A 14 24.547 -18.920 -14.963 1.00 2.48 H new ATOM 0 HD3 ARG A 14 26.059 -18.273 -14.356 1.00 2.48 H new ATOM 0 HE ARG A 14 23.783 -18.362 -12.453 1.00 2.80 H new ATOM 0 HH11 ARG A 14 26.782 -19.780 -13.647 1.00 3.79 H new ATOM 0 HH12 ARG A 14 27.062 -20.717 -12.176 1.00 3.79 H new ATOM 0 HH21 ARG A 14 24.159 -19.560 -10.554 1.00 4.35 H new ATOM 0 HH22 ARG A 14 25.587 -20.594 -10.437 1.00 4.35 H new ATOM 99 N ASP A 15 25.816 -15.247 -10.578 1.00 1.12 N ATOM 100 CA ASP A 15 26.672 -15.412 -9.404 1.00 1.14 C ATOM 101 C ASP A 15 25.830 -15.747 -8.174 1.00 1.00 C ATOM 102 O ASP A 15 26.180 -16.630 -7.394 1.00 1.05 O ATOM 103 CB ASP A 15 27.493 -14.140 -9.147 1.00 1.29 C ATOM 104 CG ASP A 15 27.978 -13.470 -10.424 1.00 1.49 C ATOM 105 OD1 ASP A 15 28.134 -14.169 -11.449 1.00 1.84 O ATOM 106 OD2 ASP A 15 28.213 -12.243 -10.398 1.00 2.10 O ATOM 0 H ASP A 15 25.987 -14.391 -11.106 1.00 1.12 H new ATOM 0 HA ASP A 15 27.359 -16.236 -9.598 1.00 1.14 H new ATOM 0 HB2 ASP A 15 26.887 -13.433 -8.581 1.00 1.29 H new ATOM 0 HB3 ASP A 15 28.354 -14.390 -8.526 1.00 1.29 H new ATOM 111 N MET A 16 24.713 -15.037 -8.015 1.00 0.93 N ATOM 112 CA MET A 16 23.809 -15.255 -6.890 1.00 0.98 C ATOM 113 C MET A 16 23.325 -16.702 -6.876 1.00 0.88 C ATOM 114 O MET A 16 23.462 -17.412 -5.881 1.00 0.88 O ATOM 115 CB MET A 16 22.609 -14.303 -6.976 1.00 1.15 C ATOM 116 CG MET A 16 22.392 -13.475 -5.720 1.00 1.45 C ATOM 117 SD MET A 16 20.771 -12.684 -5.684 1.00 1.92 S ATOM 118 CE MET A 16 20.306 -12.930 -3.972 1.00 2.23 C ATOM 0 H MET A 16 24.413 -14.302 -8.656 1.00 0.93 H new ATOM 0 HA MET A 16 24.351 -15.053 -5.966 1.00 0.98 H new ATOM 0 HB2 MET A 16 22.750 -13.631 -7.823 1.00 1.15 H new ATOM 0 HB3 MET A 16 21.709 -14.885 -7.177 1.00 1.15 H new ATOM 0 HG2 MET A 16 22.500 -14.115 -4.844 1.00 1.45 H new ATOM 0 HG3 MET A 16 23.167 -12.711 -5.654 1.00 1.45 H new ATOM 0 HE1 MET A 16 19.323 -12.493 -3.796 1.00 2.23 H new ATOM 0 HE2 MET A 16 20.273 -13.997 -3.754 1.00 2.23 H new ATOM 0 HE3 MET A 16 21.038 -12.449 -3.323 1.00 2.23 H new ATOM 128 N ASP A 17 22.766 -17.147 -7.992 1.00 0.91 N ATOM 129 CA ASP A 17 22.292 -18.517 -8.085 1.00 0.97 C ATOM 130 C ASP A 17 23.436 -19.465 -7.759 1.00 0.88 C ATOM 131 O ASP A 17 23.256 -20.446 -7.048 1.00 0.86 O ATOM 132 CB ASP A 17 21.728 -18.812 -9.479 1.00 1.19 C ATOM 133 CG ASP A 17 20.827 -17.701 -9.991 1.00 1.80 C ATOM 134 OD1 ASP A 17 19.939 -17.259 -9.230 1.00 2.44 O ATOM 135 OD2 ASP A 17 21.010 -17.276 -11.151 1.00 2.46 O ATOM 0 H ASP A 17 22.631 -16.587 -8.834 1.00 0.91 H new ATOM 0 HA ASP A 17 21.484 -18.662 -7.367 1.00 0.97 H new ATOM 0 HB2 ASP A 17 22.552 -18.957 -10.177 1.00 1.19 H new ATOM 0 HB3 ASP A 17 21.167 -19.746 -9.450 1.00 1.19 H new ATOM 140 N ASP A 18 24.622 -19.146 -8.272 1.00 0.95 N ATOM 141 CA ASP A 18 25.811 -19.954 -8.026 1.00 1.09 C ATOM 142 C ASP A 18 26.086 -20.076 -6.529 1.00 1.01 C ATOM 143 O ASP A 18 26.331 -21.172 -6.033 1.00 1.05 O ATOM 144 CB ASP A 18 27.028 -19.354 -8.739 1.00 1.33 C ATOM 145 CG ASP A 18 27.029 -17.837 -8.709 1.00 1.90 C ATOM 146 OD1 ASP A 18 27.190 -17.265 -7.610 1.00 2.48 O ATOM 147 OD2 ASP A 18 26.868 -17.221 -9.783 1.00 2.49 O ATOM 0 H ASP A 18 24.784 -18.330 -8.863 1.00 0.95 H new ATOM 0 HA ASP A 18 25.628 -20.952 -8.425 1.00 1.09 H new ATOM 0 HB2 ASP A 18 27.939 -19.724 -8.269 1.00 1.33 H new ATOM 0 HB3 ASP A 18 27.042 -19.694 -9.775 1.00 1.33 H new ATOM 152 N GLU A 19 26.032 -18.955 -5.805 1.00 1.02 N ATOM 153 CA GLU A 19 26.269 -18.984 -4.364 1.00 1.12 C ATOM 154 C GLU A 19 25.174 -19.809 -3.686 1.00 0.89 C ATOM 155 O GLU A 19 25.456 -20.789 -2.992 1.00 0.88 O ATOM 156 CB GLU A 19 26.368 -17.559 -3.774 1.00 1.38 C ATOM 157 CG GLU A 19 25.074 -16.760 -3.776 1.00 2.04 C ATOM 158 CD GLU A 19 25.138 -15.501 -2.929 1.00 2.53 C ATOM 159 OE1 GLU A 19 25.564 -15.585 -1.759 1.00 3.02 O ATOM 160 OE2 GLU A 19 24.753 -14.428 -3.438 1.00 3.07 O ATOM 0 H GLU A 19 25.830 -18.031 -6.187 1.00 1.02 H new ATOM 0 HA GLU A 19 27.231 -19.460 -4.173 1.00 1.12 H new ATOM 0 HB2 GLU A 19 26.727 -17.633 -2.748 1.00 1.38 H new ATOM 0 HB3 GLU A 19 27.119 -17.003 -4.335 1.00 1.38 H new ATOM 0 HG2 GLU A 19 24.827 -16.486 -4.802 1.00 2.04 H new ATOM 0 HG3 GLU A 19 24.265 -17.393 -3.411 1.00 2.04 H new ATOM 167 N GLU A 20 23.917 -19.435 -3.912 1.00 0.84 N ATOM 168 CA GLU A 20 22.798 -20.176 -3.345 1.00 0.84 C ATOM 169 C GLU A 20 22.968 -21.661 -3.654 1.00 0.73 C ATOM 170 O GLU A 20 22.708 -22.523 -2.814 1.00 0.78 O ATOM 171 CB GLU A 20 21.474 -19.659 -3.916 1.00 1.03 C ATOM 172 CG GLU A 20 20.260 -20.007 -3.068 1.00 1.61 C ATOM 173 CD GLU A 20 20.564 -19.984 -1.582 1.00 1.98 C ATOM 174 OE1 GLU A 20 21.419 -20.783 -1.140 1.00 2.50 O ATOM 175 OE2 GLU A 20 19.953 -19.163 -0.866 1.00 2.49 O ATOM 0 H GLU A 20 23.651 -18.630 -4.479 1.00 0.84 H new ATOM 0 HA GLU A 20 22.781 -20.034 -2.264 1.00 0.84 H new ATOM 0 HB2 GLU A 20 21.533 -18.576 -4.021 1.00 1.03 H new ATOM 0 HB3 GLU A 20 21.336 -20.069 -4.916 1.00 1.03 H new ATOM 0 HG2 GLU A 20 19.457 -19.302 -3.282 1.00 1.61 H new ATOM 0 HG3 GLU A 20 19.898 -20.997 -3.346 1.00 1.61 H new ATOM 182 N SER A 21 23.438 -21.942 -4.867 1.00 0.75 N ATOM 183 CA SER A 21 23.688 -23.305 -5.308 1.00 0.89 C ATOM 184 C SER A 21 24.813 -23.915 -4.483 1.00 0.84 C ATOM 185 O SER A 21 24.730 -25.071 -4.078 1.00 0.91 O ATOM 186 CB SER A 21 24.053 -23.314 -6.795 1.00 1.14 C ATOM 187 OG SER A 21 22.893 -23.216 -7.603 1.00 1.59 O ATOM 0 H SER A 21 23.654 -21.232 -5.567 1.00 0.75 H new ATOM 0 HA SER A 21 22.786 -23.900 -5.167 1.00 0.89 H new ATOM 0 HB2 SER A 21 24.724 -22.483 -7.013 1.00 1.14 H new ATOM 0 HB3 SER A 21 24.592 -24.231 -7.035 1.00 1.14 H new ATOM 0 HG SER A 21 22.630 -22.276 -7.685 1.00 1.59 H new ATOM 193 N TRP A 22 25.856 -23.123 -4.213 1.00 0.91 N ATOM 194 CA TRP A 22 26.983 -23.599 -3.416 1.00 1.05 C ATOM 195 C TRP A 22 26.478 -24.172 -2.100 1.00 0.87 C ATOM 196 O TRP A 22 26.890 -25.250 -1.691 1.00 0.92 O ATOM 197 CB TRP A 22 27.998 -22.483 -3.135 1.00 1.38 C ATOM 198 CG TRP A 22 28.983 -22.872 -2.076 1.00 1.53 C ATOM 199 CD1 TRP A 22 30.175 -23.512 -2.257 1.00 2.19 C ATOM 200 CD2 TRP A 22 28.850 -22.669 -0.664 1.00 1.39 C ATOM 201 NE1 TRP A 22 30.778 -23.727 -1.043 1.00 2.16 N ATOM 202 CE2 TRP A 22 29.988 -23.220 -0.056 1.00 1.65 C ATOM 203 CE3 TRP A 22 27.881 -22.075 0.147 1.00 1.73 C ATOM 204 CZ2 TRP A 22 30.183 -23.201 1.318 1.00 1.79 C ATOM 205 CZ3 TRP A 22 28.078 -22.055 1.512 1.00 2.24 C ATOM 206 CH2 TRP A 22 29.220 -22.616 2.084 1.00 2.11 C ATOM 0 H TRP A 22 25.940 -22.158 -4.533 1.00 0.91 H new ATOM 0 HA TRP A 22 27.490 -24.374 -3.991 1.00 1.05 H new ATOM 0 HB2 TRP A 22 28.531 -22.239 -4.054 1.00 1.38 H new ATOM 0 HB3 TRP A 22 27.469 -21.582 -2.824 1.00 1.38 H new ATOM 0 HD1 TRP A 22 30.583 -23.805 -3.213 1.00 2.19 H new ATOM 0 HE1 TRP A 22 31.675 -24.192 -0.902 1.00 2.16 H new ATOM 0 HE3 TRP A 22 26.993 -21.639 -0.287 1.00 1.73 H new ATOM 0 HZ2 TRP A 22 31.066 -23.634 1.764 1.00 1.79 H new ATOM 0 HZ3 TRP A 22 27.335 -21.597 2.149 1.00 2.24 H new ATOM 0 HH2 TRP A 22 29.343 -22.586 3.157 1.00 2.11 H new ATOM 217 N ILE A 23 25.589 -23.438 -1.434 1.00 0.80 N ATOM 218 CA ILE A 23 25.028 -23.900 -0.170 1.00 0.90 C ATOM 219 C ILE A 23 24.457 -25.305 -0.338 1.00 0.87 C ATOM 220 O ILE A 23 24.889 -26.256 0.316 1.00 0.95 O ATOM 221 CB ILE A 23 23.909 -22.963 0.344 1.00 1.16 C ATOM 222 CG1 ILE A 23 24.390 -21.508 0.373 1.00 1.34 C ATOM 223 CG2 ILE A 23 23.440 -23.400 1.728 1.00 1.46 C ATOM 224 CD1 ILE A 23 23.308 -20.520 0.755 1.00 1.92 C ATOM 0 H ILE A 23 25.245 -22.530 -1.746 1.00 0.80 H new ATOM 0 HA ILE A 23 25.836 -23.902 0.561 1.00 0.90 H new ATOM 0 HB ILE A 23 23.065 -23.029 -0.343 1.00 1.16 H new ATOM 0 HG12 ILE A 23 25.216 -21.421 1.079 1.00 1.34 H new ATOM 0 HG13 ILE A 23 24.781 -21.244 -0.609 1.00 1.34 H new ATOM 0 HG21 ILE A 23 22.653 -22.730 2.074 1.00 1.46 H new ATOM 0 HG22 ILE A 23 23.053 -24.418 1.677 1.00 1.46 H new ATOM 0 HG23 ILE A 23 24.278 -23.365 2.424 1.00 1.46 H new ATOM 0 HD11 ILE A 23 23.720 -19.511 0.755 1.00 1.92 H new ATOM 0 HD12 ILE A 23 22.491 -20.578 0.035 1.00 1.92 H new ATOM 0 HD13 ILE A 23 22.932 -20.758 1.750 1.00 1.92 H new ATOM 236 N LYS A 24 23.490 -25.421 -1.239 1.00 0.92 N ATOM 237 CA LYS A 24 22.845 -26.696 -1.528 1.00 1.18 C ATOM 238 C LYS A 24 23.879 -27.787 -1.806 1.00 1.21 C ATOM 239 O LYS A 24 23.768 -28.906 -1.304 1.00 1.38 O ATOM 240 CB LYS A 24 21.908 -26.532 -2.732 1.00 1.40 C ATOM 241 CG LYS A 24 20.447 -26.840 -2.430 1.00 2.00 C ATOM 242 CD LYS A 24 19.845 -25.842 -1.446 1.00 2.68 C ATOM 243 CE LYS A 24 19.846 -24.420 -1.996 1.00 3.24 C ATOM 244 NZ LYS A 24 19.207 -24.337 -3.340 1.00 3.58 N ATOM 0 H LYS A 24 23.132 -24.639 -1.787 1.00 0.92 H new ATOM 0 HA LYS A 24 22.268 -27.000 -0.655 1.00 1.18 H new ATOM 0 HB2 LYS A 24 21.984 -25.509 -3.101 1.00 1.40 H new ATOM 0 HB3 LYS A 24 22.248 -27.186 -3.535 1.00 1.40 H new ATOM 0 HG2 LYS A 24 19.874 -26.826 -3.357 1.00 2.00 H new ATOM 0 HG3 LYS A 24 20.366 -27.847 -2.021 1.00 2.00 H new ATOM 0 HD2 LYS A 24 18.823 -26.138 -1.210 1.00 2.68 H new ATOM 0 HD3 LYS A 24 20.408 -25.869 -0.513 1.00 2.68 H new ATOM 0 HE2 LYS A 24 19.319 -23.764 -1.304 1.00 3.24 H new ATOM 0 HE3 LYS A 24 20.872 -24.058 -2.060 1.00 3.24 H new ATOM 0 HZ1 LYS A 24 19.046 -23.340 -3.587 1.00 3.58 H new ATOM 0 HZ2 LYS A 24 19.831 -24.772 -4.049 1.00 3.58 H new ATOM 0 HZ3 LYS A 24 18.298 -24.841 -3.324 1.00 3.58 H new ATOM 258 N GLU A 25 24.885 -27.447 -2.604 1.00 1.18 N ATOM 259 CA GLU A 25 25.944 -28.387 -2.955 1.00 1.40 C ATOM 260 C GLU A 25 26.706 -28.829 -1.711 1.00 1.37 C ATOM 261 O GLU A 25 26.935 -30.020 -1.504 1.00 1.59 O ATOM 262 CB GLU A 25 26.891 -27.748 -3.987 1.00 1.58 C ATOM 263 CG GLU A 25 28.375 -28.038 -3.774 1.00 2.34 C ATOM 264 CD GLU A 25 28.758 -29.452 -4.174 1.00 2.86 C ATOM 265 OE1 GLU A 25 28.505 -30.382 -3.380 1.00 3.45 O ATOM 266 OE2 GLU A 25 29.310 -29.631 -5.281 1.00 3.26 O ATOM 0 H GLU A 25 24.990 -26.523 -3.022 1.00 1.18 H new ATOM 0 HA GLU A 25 25.495 -29.275 -3.401 1.00 1.40 H new ATOM 0 HB2 GLU A 25 26.608 -28.096 -4.980 1.00 1.58 H new ATOM 0 HB3 GLU A 25 26.742 -26.668 -3.973 1.00 1.58 H new ATOM 0 HG2 GLU A 25 28.967 -27.328 -4.352 1.00 2.34 H new ATOM 0 HG3 GLU A 25 28.625 -27.881 -2.725 1.00 2.34 H new ATOM 273 N LYS A 26 27.095 -27.864 -0.885 1.00 1.19 N ATOM 274 CA LYS A 26 27.828 -28.157 0.335 1.00 1.29 C ATOM 275 C LYS A 26 27.011 -29.074 1.233 1.00 1.31 C ATOM 276 O LYS A 26 27.526 -30.062 1.746 1.00 1.49 O ATOM 277 CB LYS A 26 28.201 -26.866 1.066 1.00 1.34 C ATOM 278 CG LYS A 26 28.769 -27.082 2.464 1.00 1.63 C ATOM 279 CD LYS A 26 30.250 -26.734 2.533 1.00 2.01 C ATOM 280 CE LYS A 26 31.067 -27.531 1.524 1.00 2.27 C ATOM 281 NZ LYS A 26 31.346 -26.746 0.288 1.00 2.77 N ATOM 0 H LYS A 26 26.913 -26.872 -1.041 1.00 1.19 H new ATOM 0 HA LYS A 26 28.752 -28.670 0.070 1.00 1.29 H new ATOM 0 HB2 LYS A 26 28.933 -26.322 0.469 1.00 1.34 H new ATOM 0 HB3 LYS A 26 27.316 -26.234 1.139 1.00 1.34 H new ATOM 0 HG2 LYS A 26 28.218 -26.470 3.179 1.00 1.63 H new ATOM 0 HG3 LYS A 26 28.626 -28.122 2.758 1.00 1.63 H new ATOM 0 HD2 LYS A 26 30.382 -25.668 2.346 1.00 2.01 H new ATOM 0 HD3 LYS A 26 30.623 -26.930 3.538 1.00 2.01 H new ATOM 0 HE2 LYS A 26 32.009 -27.836 1.980 1.00 2.27 H new ATOM 0 HE3 LYS A 26 30.530 -28.442 1.261 1.00 2.27 H new ATOM 0 HZ1 LYS A 26 31.031 -27.285 -0.544 1.00 2.77 H new ATOM 0 HZ2 LYS A 26 30.834 -25.841 0.328 1.00 2.77 H new ATOM 0 HZ3 LYS A 26 32.367 -26.563 0.216 1.00 2.77 H new ATOM 295 N LYS A 27 25.728 -28.761 1.405 1.00 1.25 N ATOM 296 CA LYS A 27 24.861 -29.591 2.230 1.00 1.48 C ATOM 297 C LYS A 27 24.967 -31.048 1.789 1.00 1.65 C ATOM 298 O LYS A 27 25.173 -31.942 2.608 1.00 1.84 O ATOM 299 CB LYS A 27 23.410 -29.112 2.139 1.00 1.61 C ATOM 300 CG LYS A 27 22.423 -29.992 2.895 1.00 2.10 C ATOM 301 CD LYS A 27 22.645 -29.926 4.402 1.00 2.50 C ATOM 302 CE LYS A 27 23.067 -31.274 4.972 1.00 3.05 C ATOM 303 NZ LYS A 27 22.158 -32.372 4.540 1.00 3.62 N ATOM 0 H LYS A 27 25.273 -27.949 0.989 1.00 1.25 H new ATOM 0 HA LYS A 27 25.182 -29.509 3.268 1.00 1.48 H new ATOM 0 HB2 LYS A 27 23.348 -28.096 2.528 1.00 1.61 H new ATOM 0 HB3 LYS A 27 23.116 -29.071 1.090 1.00 1.61 H new ATOM 0 HG2 LYS A 27 21.405 -29.678 2.663 1.00 2.10 H new ATOM 0 HG3 LYS A 27 22.523 -31.024 2.558 1.00 2.10 H new ATOM 0 HD2 LYS A 27 23.410 -29.182 4.624 1.00 2.50 H new ATOM 0 HD3 LYS A 27 21.728 -29.596 4.890 1.00 2.50 H new ATOM 0 HE2 LYS A 27 24.085 -31.500 4.654 1.00 3.05 H new ATOM 0 HE3 LYS A 27 23.078 -31.220 6.061 1.00 3.05 H new ATOM 0 HZ1 LYS A 27 21.832 -32.901 5.374 1.00 3.62 H new ATOM 0 HZ2 LYS A 27 21.338 -31.969 4.043 1.00 3.62 H new ATOM 0 HZ3 LYS A 27 22.669 -33.014 3.901 1.00 3.62 H new ATOM 317 N LEU A 28 24.846 -31.278 0.483 1.00 1.65 N ATOM 318 CA LEU A 28 24.948 -32.627 -0.067 1.00 1.92 C ATOM 319 C LEU A 28 26.361 -33.166 0.134 1.00 1.96 C ATOM 320 O LEU A 28 26.563 -34.366 0.317 1.00 2.16 O ATOM 321 CB LEU A 28 24.591 -32.621 -1.560 1.00 2.05 C ATOM 322 CG LEU A 28 23.922 -33.899 -2.086 1.00 2.51 C ATOM 323 CD1 LEU A 28 24.879 -35.082 -2.009 1.00 2.78 C ATOM 324 CD2 LEU A 28 22.640 -34.192 -1.317 1.00 3.19 C ATOM 0 H LEU A 28 24.678 -30.550 -0.211 1.00 1.65 H new ATOM 0 HA LEU A 28 24.245 -33.275 0.456 1.00 1.92 H new ATOM 0 HB2 LEU A 28 23.927 -31.778 -1.753 1.00 2.05 H new ATOM 0 HB3 LEU A 28 25.502 -32.447 -2.133 1.00 2.05 H new ATOM 0 HG LEU A 28 23.663 -33.740 -3.133 1.00 2.51 H new ATOM 0 HD11 LEU A 28 24.383 -35.976 -2.387 1.00 2.78 H new ATOM 0 HD12 LEU A 28 25.763 -34.875 -2.612 1.00 2.78 H new ATOM 0 HD13 LEU A 28 25.176 -35.243 -0.973 1.00 2.78 H new ATOM 0 HD21 LEU A 28 22.182 -35.102 -1.706 1.00 3.19 H new ATOM 0 HD22 LEU A 28 22.872 -34.326 -0.260 1.00 3.19 H new ATOM 0 HD23 LEU A 28 21.947 -33.359 -1.434 1.00 3.19 H new ATOM 336 N LEU A 29 27.338 -32.264 0.105 1.00 1.84 N ATOM 337 CA LEU A 29 28.732 -32.643 0.293 1.00 2.00 C ATOM 338 C LEU A 29 28.920 -33.286 1.661 1.00 2.03 C ATOM 339 O LEU A 29 29.528 -34.349 1.776 1.00 2.24 O ATOM 340 CB LEU A 29 29.643 -31.420 0.151 1.00 2.00 C ATOM 341 CG LEU A 29 31.098 -31.729 -0.218 1.00 2.43 C ATOM 342 CD1 LEU A 29 31.717 -30.563 -0.976 1.00 3.02 C ATOM 343 CD2 LEU A 29 31.911 -32.052 1.029 1.00 3.08 C ATOM 0 H LEU A 29 27.189 -31.266 -0.047 1.00 1.84 H new ATOM 0 HA LEU A 29 29.003 -33.367 -0.476 1.00 2.00 H new ATOM 0 HB2 LEU A 29 29.224 -30.761 -0.610 1.00 2.00 H new ATOM 0 HB3 LEU A 29 29.633 -30.868 1.091 1.00 2.00 H new ATOM 0 HG LEU A 29 31.108 -32.604 -0.868 1.00 2.43 H new ATOM 0 HD11 LEU A 29 32.750 -30.801 -1.229 1.00 3.02 H new ATOM 0 HD12 LEU A 29 31.152 -30.382 -1.890 1.00 3.02 H new ATOM 0 HD13 LEU A 29 31.693 -29.670 -0.352 1.00 3.02 H new ATOM 0 HD21 LEU A 29 32.941 -32.269 0.746 1.00 3.08 H new ATOM 0 HD22 LEU A 29 31.893 -31.198 1.706 1.00 3.08 H new ATOM 0 HD23 LEU A 29 31.482 -32.921 1.528 1.00 3.08 H new ATOM 355 N VAL A 30 28.375 -32.647 2.694 1.00 1.90 N ATOM 356 CA VAL A 30 28.472 -33.174 4.049 1.00 2.05 C ATOM 357 C VAL A 30 27.673 -34.464 4.162 1.00 2.27 C ATOM 358 O VAL A 30 28.081 -35.404 4.842 1.00 2.48 O ATOM 359 CB VAL A 30 27.961 -32.161 5.098 1.00 2.03 C ATOM 360 CG1 VAL A 30 28.294 -32.634 6.507 1.00 2.35 C ATOM 361 CG2 VAL A 30 28.546 -30.779 4.839 1.00 2.26 C ATOM 0 H VAL A 30 27.864 -31.767 2.617 1.00 1.90 H new ATOM 0 HA VAL A 30 29.526 -33.368 4.251 1.00 2.05 H new ATOM 0 HB VAL A 30 26.877 -32.093 5.010 1.00 2.03 H new ATOM 0 HG11 VAL A 30 27.926 -31.907 7.231 1.00 2.35 H new ATOM 0 HG12 VAL A 30 27.820 -33.599 6.688 1.00 2.35 H new ATOM 0 HG13 VAL A 30 29.374 -32.735 6.611 1.00 2.35 H new ATOM 0 HG21 VAL A 30 28.174 -30.080 5.588 1.00 2.26 H new ATOM 0 HG22 VAL A 30 29.633 -30.828 4.896 1.00 2.26 H new ATOM 0 HG23 VAL A 30 28.250 -30.439 3.847 1.00 2.26 H new ATOM 371 N SER A 31 26.536 -34.498 3.471 1.00 2.30 N ATOM 372 CA SER A 31 25.674 -35.672 3.466 1.00 2.61 C ATOM 373 C SER A 31 26.456 -36.900 3.012 1.00 2.74 C ATOM 374 O SER A 31 26.266 -38.000 3.533 1.00 3.01 O ATOM 375 CB SER A 31 24.472 -35.440 2.546 1.00 2.70 C ATOM 376 OG SER A 31 23.725 -34.310 2.960 1.00 2.71 O ATOM 0 H SER A 31 26.191 -33.722 2.906 1.00 2.30 H new ATOM 0 HA SER A 31 25.312 -35.844 4.480 1.00 2.61 H new ATOM 0 HB2 SER A 31 24.816 -35.297 1.522 1.00 2.70 H new ATOM 0 HB3 SER A 31 23.833 -36.323 2.547 1.00 2.70 H new ATOM 0 HG SER A 31 24.232 -33.494 2.767 1.00 2.71 H new ATOM 382 N SER A 32 27.346 -36.697 2.044 1.00 2.63 N ATOM 383 CA SER A 32 28.174 -37.779 1.521 1.00 2.85 C ATOM 384 C SER A 32 29.359 -38.041 2.447 1.00 2.93 C ATOM 385 O SER A 32 29.578 -39.171 2.887 1.00 3.19 O ATOM 386 CB SER A 32 28.670 -37.438 0.113 1.00 2.84 C ATOM 387 OG SER A 32 27.627 -36.890 -0.677 1.00 3.16 O ATOM 0 H SER A 32 27.512 -35.791 1.605 1.00 2.63 H new ATOM 0 HA SER A 32 27.567 -38.683 1.469 1.00 2.85 H new ATOM 0 HB2 SER A 32 29.494 -36.727 0.177 1.00 2.84 H new ATOM 0 HB3 SER A 32 29.060 -38.336 -0.366 1.00 2.84 H new ATOM 0 HG SER A 32 27.421 -35.984 -0.364 1.00 3.16 H new ATOM 393 N GLU A 33 30.114 -36.985 2.742 1.00 2.79 N ATOM 394 CA GLU A 33 31.275 -37.083 3.623 1.00 2.95 C ATOM 395 C GLU A 33 30.932 -36.558 5.015 1.00 3.13 C ATOM 396 O GLU A 33 31.086 -35.369 5.300 1.00 3.53 O ATOM 397 CB GLU A 33 32.456 -36.296 3.036 1.00 3.57 C ATOM 398 CG GLU A 33 33.792 -37.023 3.141 1.00 3.89 C ATOM 399 CD GLU A 33 34.389 -36.963 4.536 1.00 3.97 C ATOM 400 OE1 GLU A 33 33.730 -37.437 5.486 1.00 4.37 O ATOM 401 OE2 GLU A 33 35.518 -36.442 4.679 1.00 4.15 O ATOM 0 H GLU A 33 29.941 -36.047 2.381 1.00 2.79 H new ATOM 0 HA GLU A 33 31.560 -38.132 3.707 1.00 2.95 H new ATOM 0 HB2 GLU A 33 32.252 -36.080 1.987 1.00 3.57 H new ATOM 0 HB3 GLU A 33 32.533 -35.338 3.549 1.00 3.57 H new ATOM 0 HG2 GLU A 33 33.656 -38.066 2.854 1.00 3.89 H new ATOM 0 HG3 GLU A 33 34.495 -36.586 2.431 1.00 3.89 H new ATOM 540 N GLN A 43 42.063 -39.746 9.712 1.00 3.28 N ATOM 541 CA GLN A 43 42.754 -38.770 8.879 1.00 3.01 C ATOM 542 C GLN A 43 41.770 -38.071 7.951 1.00 2.82 C ATOM 543 O GLN A 43 41.911 -36.882 7.665 1.00 2.61 O ATOM 544 CB GLN A 43 43.862 -39.441 8.064 1.00 3.07 C ATOM 545 CG GLN A 43 44.821 -38.459 7.405 1.00 3.47 C ATOM 546 CD GLN A 43 45.367 -37.426 8.375 1.00 3.77 C ATOM 547 OE1 GLN A 43 46.409 -37.631 8.996 1.00 4.06 O ATOM 548 NE2 GLN A 43 44.662 -36.308 8.511 1.00 4.24 N ATOM 0 HA GLN A 43 43.209 -38.026 9.533 1.00 3.01 H new ATOM 0 HB2 GLN A 43 44.429 -40.105 8.717 1.00 3.07 H new ATOM 0 HB3 GLN A 43 43.407 -40.063 7.293 1.00 3.07 H new ATOM 0 HG2 GLN A 43 45.651 -39.010 6.964 1.00 3.47 H new ATOM 0 HG3 GLN A 43 44.308 -37.949 6.590 1.00 3.47 H new ATOM 0 HE21 GLN A 43 43.803 -36.179 7.977 1.00 4.24 H new ATOM 0 HE22 GLN A 43 44.980 -35.579 9.150 1.00 4.24 H new ATOM 557 N ASN A 44 40.769 -38.814 7.486 1.00 2.97 N ATOM 558 CA ASN A 44 39.760 -38.252 6.598 1.00 2.93 C ATOM 559 C ASN A 44 39.019 -37.119 7.298 1.00 2.82 C ATOM 560 O ASN A 44 38.758 -36.073 6.704 1.00 2.66 O ATOM 561 CB ASN A 44 38.765 -39.327 6.150 1.00 3.26 C ATOM 562 CG ASN A 44 39.050 -39.826 4.747 1.00 3.37 C ATOM 563 OD1 ASN A 44 38.434 -39.382 3.779 1.00 3.42 O ATOM 564 ND2 ASN A 44 39.993 -40.750 4.630 1.00 3.83 N ATOM 0 H ASN A 44 40.637 -39.801 7.709 1.00 2.97 H new ATOM 0 HA ASN A 44 40.264 -37.860 5.715 1.00 2.93 H new ATOM 0 HB2 ASN A 44 38.801 -40.165 6.846 1.00 3.26 H new ATOM 0 HB3 ASN A 44 37.754 -38.923 6.191 1.00 3.26 H new ATOM 0 HD21 ASN A 44 40.233 -41.121 3.710 1.00 3.83 H new ATOM 0 HD22 ASN A 44 40.479 -41.090 5.460 1.00 3.83 H new ATOM 571 N LEU A 45 38.688 -37.336 8.570 1.00 3.00 N ATOM 572 CA LEU A 45 37.983 -36.336 9.362 1.00 3.01 C ATOM 573 C LEU A 45 38.777 -35.033 9.420 1.00 2.73 C ATOM 574 O LEU A 45 38.287 -33.977 9.015 1.00 2.57 O ATOM 575 CB LEU A 45 37.728 -36.859 10.778 1.00 3.36 C ATOM 576 CG LEU A 45 37.001 -35.884 11.710 1.00 3.84 C ATOM 577 CD1 LEU A 45 35.501 -35.920 11.455 1.00 4.23 C ATOM 578 CD2 LEU A 45 37.308 -36.207 13.165 1.00 4.27 C ATOM 0 H LEU A 45 38.898 -38.198 9.073 1.00 3.00 H new ATOM 0 HA LEU A 45 37.025 -36.136 8.882 1.00 3.01 H new ATOM 0 HB2 LEU A 45 37.143 -37.776 10.710 1.00 3.36 H new ATOM 0 HB3 LEU A 45 38.685 -37.123 11.229 1.00 3.36 H new ATOM 0 HG LEU A 45 37.359 -34.876 11.502 1.00 3.84 H new ATOM 0 HD11 LEU A 45 35.001 -35.221 12.126 1.00 4.23 H new ATOM 0 HD12 LEU A 45 35.301 -35.637 10.422 1.00 4.23 H new ATOM 0 HD13 LEU A 45 35.125 -36.927 11.635 1.00 4.23 H new ATOM 0 HD21 LEU A 45 36.783 -35.504 13.812 1.00 4.27 H new ATOM 0 HD22 LEU A 45 36.980 -37.222 13.389 1.00 4.27 H new ATOM 0 HD23 LEU A 45 38.381 -36.126 13.337 1.00 4.27 H new ATOM 590 N ARG A 46 40.006 -35.111 9.929 1.00 2.73 N ATOM 591 CA ARG A 46 40.856 -33.931 10.036 1.00 2.59 C ATOM 592 C ARG A 46 41.006 -33.254 8.680 1.00 2.28 C ATOM 593 O ARG A 46 41.047 -32.028 8.588 1.00 2.17 O ATOM 594 CB ARG A 46 42.232 -34.301 10.596 1.00 2.76 C ATOM 595 CG ARG A 46 42.384 -33.996 12.079 1.00 2.97 C ATOM 596 CD ARG A 46 41.767 -35.087 12.943 1.00 3.51 C ATOM 597 NE ARG A 46 42.195 -36.422 12.528 1.00 4.06 N ATOM 598 CZ ARG A 46 43.350 -36.976 12.887 1.00 4.80 C ATOM 599 NH1 ARG A 46 44.191 -36.319 13.674 1.00 5.15 N ATOM 600 NH2 ARG A 46 43.665 -38.190 12.455 1.00 5.49 N ATOM 0 H ARG A 46 40.431 -35.973 10.271 1.00 2.73 H new ATOM 0 HA ARG A 46 40.379 -33.233 10.724 1.00 2.59 H new ATOM 0 HB2 ARG A 46 42.409 -35.364 10.431 1.00 2.76 H new ATOM 0 HB3 ARG A 46 42.999 -33.761 10.041 1.00 2.76 H new ATOM 0 HG2 ARG A 46 43.441 -33.893 12.323 1.00 2.97 H new ATOM 0 HG3 ARG A 46 41.910 -33.041 12.305 1.00 2.97 H new ATOM 0 HD2 ARG A 46 42.044 -34.925 13.985 1.00 3.51 H new ATOM 0 HD3 ARG A 46 40.680 -35.021 12.889 1.00 3.51 H new ATOM 0 HE ARG A 46 41.571 -36.961 11.927 1.00 4.06 H new ATOM 0 HH11 ARG A 46 43.954 -35.385 14.007 1.00 5.15 H new ATOM 0 HH12 ARG A 46 45.075 -36.748 13.946 1.00 5.15 H new ATOM 0 HH21 ARG A 46 43.022 -38.698 11.848 1.00 5.49 H new ATOM 0 HH22 ARG A 46 44.550 -38.615 12.730 1.00 5.49 H new ATOM 614 N LYS A 47 41.079 -34.063 7.626 1.00 2.24 N ATOM 615 CA LYS A 47 41.211 -33.544 6.271 1.00 2.12 C ATOM 616 C LYS A 47 39.977 -32.733 5.898 1.00 2.02 C ATOM 617 O LYS A 47 40.081 -31.660 5.307 1.00 1.89 O ATOM 618 CB LYS A 47 41.413 -34.697 5.279 1.00 2.32 C ATOM 619 CG LYS A 47 40.954 -34.387 3.858 1.00 2.70 C ATOM 620 CD LYS A 47 39.498 -34.784 3.638 1.00 3.12 C ATOM 621 CE LYS A 47 39.380 -36.132 2.945 1.00 3.66 C ATOM 622 NZ LYS A 47 37.984 -36.651 2.970 1.00 4.30 N ATOM 0 H LYS A 47 41.049 -35.081 7.686 1.00 2.24 H new ATOM 0 HA LYS A 47 42.083 -32.892 6.227 1.00 2.12 H new ATOM 0 HB2 LYS A 47 42.470 -34.962 5.258 1.00 2.32 H new ATOM 0 HB3 LYS A 47 40.872 -35.572 5.641 1.00 2.32 H new ATOM 0 HG2 LYS A 47 41.075 -33.322 3.660 1.00 2.70 H new ATOM 0 HG3 LYS A 47 41.588 -34.917 3.147 1.00 2.70 H new ATOM 0 HD2 LYS A 47 38.982 -34.822 4.598 1.00 3.12 H new ATOM 0 HD3 LYS A 47 39.000 -34.022 3.039 1.00 3.12 H new ATOM 0 HE2 LYS A 47 39.714 -36.039 1.912 1.00 3.66 H new ATOM 0 HE3 LYS A 47 40.042 -36.849 3.431 1.00 3.66 H new ATOM 0 HZ1 LYS A 47 37.992 -37.658 3.231 1.00 4.30 H new ATOM 0 HZ2 LYS A 47 37.427 -36.117 3.668 1.00 4.30 H new ATOM 0 HZ3 LYS A 47 37.556 -36.541 2.029 1.00 4.30 H new ATOM 636 N LYS A 48 38.810 -33.256 6.259 1.00 2.17 N ATOM 637 CA LYS A 48 37.548 -32.589 5.974 1.00 2.20 C ATOM 638 C LYS A 48 37.492 -31.242 6.678 1.00 2.02 C ATOM 639 O LYS A 48 37.118 -30.234 6.083 1.00 1.90 O ATOM 640 CB LYS A 48 36.375 -33.467 6.417 1.00 2.54 C ATOM 641 CG LYS A 48 35.011 -32.944 5.985 1.00 3.02 C ATOM 642 CD LYS A 48 33.935 -33.257 7.017 1.00 3.19 C ATOM 643 CE LYS A 48 33.482 -34.707 6.932 1.00 3.73 C ATOM 644 NZ LYS A 48 34.512 -35.648 7.454 1.00 4.17 N ATOM 0 H LYS A 48 38.714 -34.144 6.752 1.00 2.17 H new ATOM 0 HA LYS A 48 37.476 -32.423 4.899 1.00 2.20 H new ATOM 0 HB2 LYS A 48 36.513 -34.470 6.013 1.00 2.54 H new ATOM 0 HB3 LYS A 48 36.391 -33.556 7.503 1.00 2.54 H new ATOM 0 HG2 LYS A 48 35.066 -31.866 5.832 1.00 3.02 H new ATOM 0 HG3 LYS A 48 34.737 -33.388 5.028 1.00 3.02 H new ATOM 0 HD2 LYS A 48 34.319 -33.053 8.017 1.00 3.19 H new ATOM 0 HD3 LYS A 48 33.080 -32.599 6.863 1.00 3.19 H new ATOM 0 HE2 LYS A 48 32.558 -34.831 7.497 1.00 3.73 H new ATOM 0 HE3 LYS A 48 33.257 -34.956 5.895 1.00 3.73 H new ATOM 0 HZ1 LYS A 48 34.045 -36.480 7.867 1.00 4.17 H new ATOM 0 HZ2 LYS A 48 35.132 -35.950 6.676 1.00 4.17 H new ATOM 0 HZ3 LYS A 48 35.079 -35.172 8.184 1.00 4.17 H new ATOM 658 N HIS A 49 37.875 -31.235 7.950 1.00 2.10 N ATOM 659 CA HIS A 49 37.878 -30.011 8.739 1.00 2.10 C ATOM 660 C HIS A 49 38.819 -28.981 8.121 1.00 1.82 C ATOM 661 O HIS A 49 38.437 -27.836 7.904 1.00 1.72 O ATOM 662 CB HIS A 49 38.293 -30.311 10.185 1.00 2.37 C ATOM 663 CG HIS A 49 37.597 -29.451 11.193 1.00 2.66 C ATOM 664 ND1 HIS A 49 38.233 -28.503 11.963 1.00 2.97 N ATOM 665 CD2 HIS A 49 36.286 -29.398 11.542 1.00 3.22 C ATOM 666 CE1 HIS A 49 37.311 -27.917 12.737 1.00 3.47 C ATOM 667 NE2 HIS A 49 36.112 -28.423 12.520 1.00 3.60 N ATOM 0 H HIS A 49 38.187 -32.064 8.456 1.00 2.10 H new ATOM 0 HA HIS A 49 36.869 -29.599 8.744 1.00 2.10 H new ATOM 0 HB2 HIS A 49 38.084 -31.358 10.405 1.00 2.37 H new ATOM 0 HB3 HIS A 49 39.370 -30.173 10.282 1.00 2.37 H new ATOM 0 HD1 HIS A 49 39.229 -28.286 11.947 1.00 2.97 H new ATOM 0 HD2 HIS A 49 35.503 -30.015 11.127 1.00 3.22 H new ATOM 0 HE1 HIS A 49 37.522 -27.131 13.447 1.00 3.47 H new ATOM 675 N LYS A 50 40.048 -29.401 7.836 1.00 1.76 N ATOM 676 CA LYS A 50 41.042 -28.513 7.237 1.00 1.67 C ATOM 677 C LYS A 50 40.529 -27.927 5.925 1.00 1.49 C ATOM 678 O LYS A 50 40.673 -26.731 5.674 1.00 1.46 O ATOM 679 CB LYS A 50 42.355 -29.268 6.998 1.00 1.79 C ATOM 680 CG LYS A 50 43.451 -28.926 8.000 1.00 2.13 C ATOM 681 CD LYS A 50 43.526 -29.945 9.129 1.00 2.64 C ATOM 682 CE LYS A 50 42.452 -29.703 10.180 1.00 3.07 C ATOM 683 NZ LYS A 50 42.540 -28.337 10.766 1.00 3.17 N ATOM 0 H LYS A 50 40.380 -30.350 8.010 1.00 1.76 H new ATOM 0 HA LYS A 50 41.225 -27.693 7.931 1.00 1.67 H new ATOM 0 HB2 LYS A 50 42.160 -30.340 7.038 1.00 1.79 H new ATOM 0 HB3 LYS A 50 42.713 -29.047 5.992 1.00 1.79 H new ATOM 0 HG2 LYS A 50 44.411 -28.882 7.486 1.00 2.13 H new ATOM 0 HG3 LYS A 50 43.266 -27.936 8.416 1.00 2.13 H new ATOM 0 HD2 LYS A 50 43.415 -30.949 8.720 1.00 2.64 H new ATOM 0 HD3 LYS A 50 44.509 -29.898 9.597 1.00 2.64 H new ATOM 0 HE2 LYS A 50 41.468 -29.842 9.731 1.00 3.07 H new ATOM 0 HE3 LYS A 50 42.548 -30.444 10.973 1.00 3.07 H new ATOM 0 HZ1 LYS A 50 42.511 -28.402 11.804 1.00 3.17 H new ATOM 0 HZ2 LYS A 50 43.432 -27.890 10.472 1.00 3.17 H new ATOM 0 HZ3 LYS A 50 41.739 -27.764 10.433 1.00 3.17 H new ATOM 697 N ARG A 51 39.922 -28.770 5.092 1.00 1.50 N ATOM 698 CA ARG A 51 39.387 -28.315 3.816 1.00 1.50 C ATOM 699 C ARG A 51 38.305 -27.267 4.048 1.00 1.38 C ATOM 700 O ARG A 51 38.314 -26.197 3.435 1.00 1.27 O ATOM 701 CB ARG A 51 38.825 -29.497 3.018 1.00 1.77 C ATOM 702 CG ARG A 51 39.487 -29.695 1.660 1.00 2.17 C ATOM 703 CD ARG A 51 38.870 -28.800 0.596 1.00 2.52 C ATOM 704 NE ARG A 51 37.442 -29.063 0.419 1.00 2.87 N ATOM 705 CZ ARG A 51 36.476 -28.251 0.844 1.00 3.47 C ATOM 706 NH1 ARG A 51 36.786 -27.120 1.462 1.00 3.79 N ATOM 707 NH2 ARG A 51 35.202 -28.564 0.653 1.00 4.13 N ATOM 0 H ARG A 51 39.790 -29.764 5.278 1.00 1.50 H new ATOM 0 HA ARG A 51 40.194 -27.865 3.238 1.00 1.50 H new ATOM 0 HB2 ARG A 51 38.943 -30.408 3.605 1.00 1.77 H new ATOM 0 HB3 ARG A 51 37.755 -29.348 2.872 1.00 1.77 H new ATOM 0 HG2 ARG A 51 40.553 -29.482 1.741 1.00 2.17 H new ATOM 0 HG3 ARG A 51 39.392 -30.738 1.358 1.00 2.17 H new ATOM 0 HD2 ARG A 51 39.015 -27.756 0.872 1.00 2.52 H new ATOM 0 HD3 ARG A 51 39.387 -28.954 -0.351 1.00 2.52 H new ATOM 0 HE ARG A 51 37.169 -29.921 -0.060 1.00 2.87 H new ATOM 0 HH11 ARG A 51 37.764 -26.872 1.612 1.00 3.79 H new ATOM 0 HH12 ARG A 51 36.046 -26.498 1.788 1.00 3.79 H new ATOM 0 HH21 ARG A 51 34.956 -29.432 0.178 1.00 4.13 H new ATOM 0 HH22 ARG A 51 34.468 -27.937 0.982 1.00 4.13 H new ATOM 721 N LEU A 52 37.389 -27.576 4.957 1.00 1.51 N ATOM 722 CA LEU A 52 36.308 -26.662 5.301 1.00 1.55 C ATOM 723 C LEU A 52 36.894 -25.338 5.781 1.00 1.33 C ATOM 724 O LEU A 52 36.501 -24.267 5.322 1.00 1.22 O ATOM 725 CB LEU A 52 35.408 -27.302 6.371 1.00 1.88 C ATOM 726 CG LEU A 52 34.587 -26.341 7.246 1.00 2.21 C ATOM 727 CD1 LEU A 52 35.432 -25.812 8.397 1.00 2.90 C ATOM 728 CD2 LEU A 52 34.007 -25.197 6.421 1.00 2.58 C ATOM 0 H LEU A 52 37.374 -28.457 5.471 1.00 1.51 H new ATOM 0 HA LEU A 52 35.694 -26.463 4.422 1.00 1.55 H new ATOM 0 HB2 LEU A 52 34.718 -27.983 5.873 1.00 1.88 H new ATOM 0 HB3 LEU A 52 36.035 -27.907 7.026 1.00 1.88 H new ATOM 0 HG LEU A 52 33.750 -26.899 7.665 1.00 2.21 H new ATOM 0 HD11 LEU A 52 34.834 -25.133 9.005 1.00 2.90 H new ATOM 0 HD12 LEU A 52 35.773 -26.645 9.011 1.00 2.90 H new ATOM 0 HD13 LEU A 52 36.295 -25.278 7.999 1.00 2.90 H new ATOM 0 HD21 LEU A 52 33.432 -24.536 7.069 1.00 2.58 H new ATOM 0 HD22 LEU A 52 34.818 -24.635 5.957 1.00 2.58 H new ATOM 0 HD23 LEU A 52 33.356 -25.601 5.646 1.00 2.58 H new ATOM 740 N GLU A 53 37.856 -25.428 6.693 1.00 1.38 N ATOM 741 CA GLU A 53 38.527 -24.254 7.233 1.00 1.39 C ATOM 742 C GLU A 53 38.994 -23.333 6.108 1.00 1.16 C ATOM 743 O GLU A 53 38.679 -22.142 6.100 1.00 1.13 O ATOM 744 CB GLU A 53 39.720 -24.689 8.094 1.00 1.66 C ATOM 745 CG GLU A 53 39.442 -24.666 9.589 1.00 2.20 C ATOM 746 CD GLU A 53 39.077 -26.034 10.136 1.00 2.62 C ATOM 747 OE1 GLU A 53 39.996 -26.856 10.342 1.00 3.08 O ATOM 748 OE2 GLU A 53 37.875 -26.285 10.352 1.00 3.17 O ATOM 0 H GLU A 53 38.190 -26.312 7.076 1.00 1.38 H new ATOM 0 HA GLU A 53 37.821 -23.702 7.853 1.00 1.39 H new ATOM 0 HB2 GLU A 53 40.016 -25.698 7.805 1.00 1.66 H new ATOM 0 HB3 GLU A 53 40.566 -24.036 7.882 1.00 1.66 H new ATOM 0 HG2 GLU A 53 40.322 -24.292 10.113 1.00 2.20 H new ATOM 0 HG3 GLU A 53 38.630 -23.969 9.793 1.00 2.20 H new ATOM 755 N ALA A 54 39.736 -23.893 5.154 1.00 1.13 N ATOM 756 CA ALA A 54 40.226 -23.116 4.021 1.00 1.16 C ATOM 757 C ALA A 54 39.064 -22.457 3.287 1.00 0.99 C ATOM 758 O ALA A 54 39.101 -21.265 2.978 1.00 1.03 O ATOM 759 CB ALA A 54 41.026 -24.000 3.075 1.00 1.35 C ATOM 0 H ALA A 54 40.009 -24.876 5.144 1.00 1.13 H new ATOM 0 HA ALA A 54 40.885 -22.333 4.396 1.00 1.16 H new ATOM 0 HB1 ALA A 54 41.384 -23.404 2.235 1.00 1.35 H new ATOM 0 HB2 ALA A 54 41.877 -24.426 3.607 1.00 1.35 H new ATOM 0 HB3 ALA A 54 40.391 -24.804 2.704 1.00 1.35 H new ATOM 765 N GLU A 55 38.027 -23.245 3.022 1.00 0.99 N ATOM 766 CA GLU A 55 36.839 -22.750 2.339 1.00 1.06 C ATOM 767 C GLU A 55 36.276 -21.523 3.054 1.00 0.88 C ATOM 768 O GLU A 55 36.061 -20.481 2.437 1.00 0.90 O ATOM 769 CB GLU A 55 35.777 -23.853 2.267 1.00 1.35 C ATOM 770 CG GLU A 55 35.394 -24.244 0.848 1.00 1.84 C ATOM 771 CD GLU A 55 34.153 -25.118 0.791 1.00 1.93 C ATOM 772 OE1 GLU A 55 34.071 -26.088 1.572 1.00 2.20 O ATOM 773 OE2 GLU A 55 33.265 -24.833 -0.037 1.00 2.60 O ATOM 0 H GLU A 55 37.986 -24.233 3.272 1.00 0.99 H new ATOM 0 HA GLU A 55 37.119 -22.459 1.327 1.00 1.06 H new ATOM 0 HB2 GLU A 55 36.147 -24.735 2.790 1.00 1.35 H new ATOM 0 HB3 GLU A 55 34.884 -23.520 2.796 1.00 1.35 H new ATOM 0 HG2 GLU A 55 35.224 -23.341 0.261 1.00 1.84 H new ATOM 0 HG3 GLU A 55 36.227 -24.773 0.385 1.00 1.84 H new ATOM 780 N LEU A 56 36.048 -21.657 4.360 1.00 0.90 N ATOM 781 CA LEU A 56 35.510 -20.566 5.169 1.00 0.98 C ATOM 782 C LEU A 56 36.327 -19.290 5.003 1.00 0.91 C ATOM 783 O LEU A 56 35.769 -18.197 4.875 1.00 0.99 O ATOM 784 CB LEU A 56 35.472 -20.977 6.643 1.00 1.26 C ATOM 785 CG LEU A 56 35.019 -19.883 7.619 1.00 2.02 C ATOM 786 CD1 LEU A 56 34.147 -20.475 8.717 1.00 2.67 C ATOM 787 CD2 LEU A 56 36.222 -19.167 8.222 1.00 2.55 C ATOM 0 H LEU A 56 36.229 -22.515 4.882 1.00 0.90 H new ATOM 0 HA LEU A 56 34.497 -20.361 4.823 1.00 0.98 H new ATOM 0 HB2 LEU A 56 34.805 -21.832 6.747 1.00 1.26 H new ATOM 0 HB3 LEU A 56 36.467 -21.312 6.935 1.00 1.26 H new ATOM 0 HG LEU A 56 34.429 -19.154 7.064 1.00 2.02 H new ATOM 0 HD11 LEU A 56 33.835 -19.685 9.400 1.00 2.67 H new ATOM 0 HD12 LEU A 56 33.267 -20.939 8.272 1.00 2.67 H new ATOM 0 HD13 LEU A 56 34.714 -21.226 9.267 1.00 2.67 H new ATOM 0 HD21 LEU A 56 35.878 -18.395 8.911 1.00 2.55 H new ATOM 0 HD22 LEU A 56 36.840 -19.885 8.761 1.00 2.55 H new ATOM 0 HD23 LEU A 56 36.809 -18.708 7.426 1.00 2.55 H new ATOM 799 N ALA A 57 37.646 -19.434 5.023 1.00 0.92 N ATOM 800 CA ALA A 57 38.544 -18.294 4.887 1.00 1.14 C ATOM 801 C ALA A 57 38.251 -17.501 3.615 1.00 1.08 C ATOM 802 O ALA A 57 38.168 -16.274 3.641 1.00 1.22 O ATOM 803 CB ALA A 57 39.987 -18.772 4.898 1.00 1.37 C ATOM 0 H ALA A 57 38.119 -20.331 5.132 1.00 0.92 H new ATOM 0 HA ALA A 57 38.381 -17.627 5.733 1.00 1.14 H new ATOM 0 HB1 ALA A 57 40.655 -17.916 4.796 1.00 1.37 H new ATOM 0 HB2 ALA A 57 40.194 -19.284 5.838 1.00 1.37 H new ATOM 0 HB3 ALA A 57 40.149 -19.459 4.068 1.00 1.37 H new ATOM 809 N ALA A 58 38.111 -18.213 2.504 1.00 1.03 N ATOM 810 CA ALA A 58 37.837 -17.585 1.214 1.00 1.19 C ATOM 811 C ALA A 58 36.369 -17.197 1.078 1.00 1.03 C ATOM 812 O ALA A 58 36.022 -16.346 0.261 1.00 1.17 O ATOM 813 CB ALA A 58 38.234 -18.525 0.088 1.00 1.43 C ATOM 0 H ALA A 58 38.183 -19.230 2.469 1.00 1.03 H new ATOM 0 HA ALA A 58 38.428 -16.671 1.153 1.00 1.19 H new ATOM 0 HB1 ALA A 58 38.027 -18.051 -0.872 1.00 1.43 H new ATOM 0 HB2 ALA A 58 39.298 -18.750 0.160 1.00 1.43 H new ATOM 0 HB3 ALA A 58 37.662 -19.449 0.167 1.00 1.43 H new ATOM 819 N HIS A 59 35.510 -17.835 1.866 1.00 0.87 N ATOM 820 CA HIS A 59 34.089 -17.571 1.821 1.00 0.90 C ATOM 821 C HIS A 59 33.753 -16.181 2.325 1.00 0.80 C ATOM 822 O HIS A 59 32.781 -15.575 1.872 1.00 0.89 O ATOM 823 CB HIS A 59 33.353 -18.625 2.632 1.00 1.13 C ATOM 824 CG HIS A 59 32.826 -19.716 1.772 1.00 1.46 C ATOM 825 ND1 HIS A 59 33.482 -20.180 0.654 1.00 2.16 N ATOM 826 CD2 HIS A 59 31.666 -20.399 1.841 1.00 1.68 C ATOM 827 CE1 HIS A 59 32.709 -21.106 0.084 1.00 2.61 C ATOM 828 NE2 HIS A 59 31.596 -21.275 0.765 1.00 2.36 N ATOM 0 H HIS A 59 35.783 -18.544 2.547 1.00 0.87 H new ATOM 0 HA HIS A 59 33.768 -17.618 0.780 1.00 0.90 H new ATOM 0 HB2 HIS A 59 34.027 -19.045 3.379 1.00 1.13 H new ATOM 0 HB3 HIS A 59 32.529 -18.158 3.172 1.00 1.13 H new ATOM 0 HD2 HIS A 59 30.914 -20.284 2.607 1.00 1.68 H new ATOM 0 HE1 HIS A 59 32.963 -21.645 -0.817 1.00 2.61 H new ATOM 0 HE2 HIS A 59 30.836 -21.919 0.547 1.00 2.36 H new ATOM 836 N GLU A 60 34.541 -15.670 3.264 1.00 0.87 N ATOM 837 CA GLU A 60 34.278 -14.344 3.795 1.00 1.09 C ATOM 838 C GLU A 60 34.347 -13.315 2.666 1.00 1.11 C ATOM 839 O GLU A 60 33.345 -12.676 2.355 1.00 1.12 O ATOM 840 CB GLU A 60 35.258 -14.003 4.926 1.00 1.39 C ATOM 841 CG GLU A 60 34.689 -14.233 6.319 1.00 1.92 C ATOM 842 CD GLU A 60 34.919 -15.651 6.816 1.00 2.39 C ATOM 843 OE1 GLU A 60 36.090 -16.081 6.864 1.00 3.01 O ATOM 844 OE2 GLU A 60 33.927 -16.330 7.153 1.00 2.70 O ATOM 0 H GLU A 60 35.350 -16.144 3.665 1.00 0.87 H new ATOM 0 HA GLU A 60 33.275 -14.323 4.221 1.00 1.09 H new ATOM 0 HB2 GLU A 60 36.159 -14.604 4.807 1.00 1.39 H new ATOM 0 HB3 GLU A 60 35.557 -12.959 4.833 1.00 1.39 H new ATOM 0 HG2 GLU A 60 35.146 -13.529 7.015 1.00 1.92 H new ATOM 0 HG3 GLU A 60 33.619 -14.024 6.310 1.00 1.92 H new ATOM 851 N PRO A 61 35.522 -13.140 2.025 1.00 1.23 N ATOM 852 CA PRO A 61 35.674 -12.187 0.920 1.00 1.42 C ATOM 853 C PRO A 61 34.791 -12.545 -0.273 1.00 1.32 C ATOM 854 O PRO A 61 34.164 -11.677 -0.883 1.00 1.44 O ATOM 855 CB PRO A 61 37.152 -12.317 0.520 1.00 1.60 C ATOM 856 CG PRO A 61 37.821 -12.953 1.687 1.00 1.59 C ATOM 857 CD PRO A 61 36.790 -13.835 2.326 1.00 1.29 C ATOM 0 HA PRO A 61 35.383 -11.180 1.220 1.00 1.42 H new ATOM 0 HB2 PRO A 61 37.264 -12.925 -0.377 1.00 1.60 H new ATOM 0 HB3 PRO A 61 37.587 -11.342 0.301 1.00 1.60 H new ATOM 0 HG2 PRO A 61 38.688 -13.533 1.371 1.00 1.59 H new ATOM 0 HG3 PRO A 61 38.179 -12.200 2.389 1.00 1.59 H new ATOM 0 HD2 PRO A 61 36.807 -14.842 1.909 1.00 1.29 H new ATOM 0 HD3 PRO A 61 36.952 -13.932 3.400 1.00 1.29 H new ATOM 865 N ALA A 62 34.771 -13.833 -0.608 1.00 1.18 N ATOM 866 CA ALA A 62 33.995 -14.334 -1.744 1.00 1.22 C ATOM 867 C ALA A 62 32.524 -13.953 -1.654 1.00 1.00 C ATOM 868 O ALA A 62 31.971 -13.355 -2.579 1.00 1.06 O ATOM 869 CB ALA A 62 34.131 -15.847 -1.855 1.00 1.31 C ATOM 0 H ALA A 62 35.287 -14.555 -0.105 1.00 1.18 H new ATOM 0 HA ALA A 62 34.402 -13.863 -2.639 1.00 1.22 H new ATOM 0 HB1 ALA A 62 33.548 -16.203 -2.704 1.00 1.31 H new ATOM 0 HB2 ALA A 62 35.179 -16.108 -1.999 1.00 1.31 H new ATOM 0 HB3 ALA A 62 33.763 -16.313 -0.941 1.00 1.31 H new ATOM 875 N ILE A 63 31.882 -14.317 -0.552 1.00 0.82 N ATOM 876 CA ILE A 63 30.467 -14.023 -0.376 1.00 0.73 C ATOM 877 C ILE A 63 30.237 -12.537 -0.118 1.00 0.73 C ATOM 878 O ILE A 63 29.351 -11.935 -0.722 1.00 0.73 O ATOM 879 CB ILE A 63 29.847 -14.886 0.746 1.00 0.79 C ATOM 880 CG1 ILE A 63 29.753 -16.345 0.272 1.00 1.08 C ATOM 881 CG2 ILE A 63 28.471 -14.361 1.140 1.00 0.96 C ATOM 882 CD1 ILE A 63 29.697 -17.359 1.393 1.00 0.67 C ATOM 0 H ILE A 63 32.315 -14.812 0.228 1.00 0.82 H new ATOM 0 HA ILE A 63 29.962 -14.280 -1.307 1.00 0.73 H new ATOM 0 HB ILE A 63 30.486 -14.833 1.627 1.00 0.79 H new ATOM 0 HG12 ILE A 63 28.864 -16.457 -0.349 1.00 1.08 H new ATOM 0 HG13 ILE A 63 30.613 -16.566 -0.360 1.00 1.08 H new ATOM 0 HG21 ILE A 63 28.056 -14.986 1.931 1.00 0.96 H new ATOM 0 HG22 ILE A 63 28.562 -13.335 1.497 1.00 0.96 H new ATOM 0 HG23 ILE A 63 27.810 -14.386 0.274 1.00 0.96 H new ATOM 0 HD11 ILE A 63 29.632 -18.363 0.973 1.00 0.67 H new ATOM 0 HD12 ILE A 63 30.597 -17.278 2.002 1.00 0.67 H new ATOM 0 HD13 ILE A 63 28.821 -17.168 2.013 1.00 0.67 H new ATOM 894 N GLN A 64 31.046 -11.935 0.754 1.00 0.83 N ATOM 895 CA GLN A 64 30.914 -10.507 1.040 1.00 0.95 C ATOM 896 C GLN A 64 30.766 -9.732 -0.266 1.00 0.95 C ATOM 897 O GLN A 64 29.846 -8.929 -0.421 1.00 0.92 O ATOM 898 CB GLN A 64 32.128 -9.992 1.824 1.00 1.17 C ATOM 899 CG GLN A 64 32.005 -10.128 3.339 1.00 1.62 C ATOM 900 CD GLN A 64 30.779 -10.912 3.780 1.00 2.58 C ATOM 901 OE1 GLN A 64 29.812 -10.343 4.285 1.00 3.24 O ATOM 902 NE2 GLN A 64 30.814 -12.224 3.584 1.00 3.27 N ATOM 0 H GLN A 64 31.790 -12.406 1.268 1.00 0.83 H new ATOM 0 HA GLN A 64 30.025 -10.356 1.652 1.00 0.95 H new ATOM 0 HB2 GLN A 64 33.015 -10.533 1.494 1.00 1.17 H new ATOM 0 HB3 GLN A 64 32.285 -8.942 1.577 1.00 1.17 H new ATOM 0 HG2 GLN A 64 32.898 -10.618 3.726 1.00 1.62 H new ATOM 0 HG3 GLN A 64 31.970 -9.133 3.783 1.00 1.62 H new ATOM 0 HE21 GLN A 64 31.637 -12.655 3.162 1.00 3.27 H new ATOM 0 HE22 GLN A 64 30.018 -12.802 3.856 1.00 3.27 H new ATOM 911 N GLY A 65 31.665 -10.000 -1.212 1.00 1.05 N ATOM 912 CA GLY A 65 31.600 -9.338 -2.501 1.00 1.14 C ATOM 913 C GLY A 65 30.211 -9.426 -3.098 1.00 0.94 C ATOM 914 O GLY A 65 29.645 -8.420 -3.526 1.00 0.94 O ATOM 0 H GLY A 65 32.434 -10.662 -1.107 1.00 1.05 H new ATOM 0 HA2 GLY A 65 31.884 -8.292 -2.389 1.00 1.14 H new ATOM 0 HA3 GLY A 65 32.320 -9.792 -3.182 1.00 1.14 H new ATOM 918 N VAL A 66 29.647 -10.633 -3.107 1.00 0.83 N ATOM 919 CA VAL A 66 28.305 -10.837 -3.639 1.00 0.72 C ATOM 920 C VAL A 66 27.314 -9.929 -2.915 1.00 0.59 C ATOM 921 O VAL A 66 26.507 -9.241 -3.541 1.00 0.56 O ATOM 922 CB VAL A 66 27.861 -12.325 -3.523 1.00 0.77 C ATOM 923 CG1 VAL A 66 26.851 -12.535 -2.400 1.00 1.22 C ATOM 924 CG2 VAL A 66 27.296 -12.807 -4.851 1.00 1.46 C ATOM 0 H VAL A 66 30.097 -11.478 -2.754 1.00 0.83 H new ATOM 0 HA VAL A 66 28.321 -10.581 -4.698 1.00 0.72 H new ATOM 0 HB VAL A 66 28.743 -12.915 -3.275 1.00 0.77 H new ATOM 0 HG11 VAL A 66 26.569 -13.587 -2.356 1.00 1.22 H new ATOM 0 HG12 VAL A 66 27.296 -12.238 -1.450 1.00 1.22 H new ATOM 0 HG13 VAL A 66 25.965 -11.930 -2.590 1.00 1.22 H new ATOM 0 HG21 VAL A 66 26.989 -13.849 -4.759 1.00 1.46 H new ATOM 0 HG22 VAL A 66 26.435 -12.197 -5.123 1.00 1.46 H new ATOM 0 HG23 VAL A 66 28.060 -12.721 -5.624 1.00 1.46 H new ATOM 934 N LEU A 67 27.404 -9.917 -1.588 1.00 0.58 N ATOM 935 CA LEU A 67 26.532 -9.086 -0.766 1.00 0.62 C ATOM 936 C LEU A 67 26.636 -7.627 -1.187 1.00 0.69 C ATOM 937 O LEU A 67 25.628 -6.981 -1.468 1.00 0.71 O ATOM 938 CB LEU A 67 26.892 -9.238 0.717 1.00 0.74 C ATOM 939 CG LEU A 67 25.968 -10.156 1.523 1.00 1.29 C ATOM 940 CD1 LEU A 67 25.976 -11.566 0.948 1.00 1.90 C ATOM 941 CD2 LEU A 67 26.375 -10.173 2.990 1.00 2.13 C ATOM 0 H LEU A 67 28.074 -10.475 -1.059 1.00 0.58 H new ATOM 0 HA LEU A 67 25.503 -9.417 -0.911 1.00 0.62 H new ATOM 0 HB2 LEU A 67 27.910 -9.620 0.790 1.00 0.74 H new ATOM 0 HB3 LEU A 67 26.888 -8.250 1.178 1.00 0.74 H new ATOM 0 HG LEU A 67 24.953 -9.765 1.454 1.00 1.29 H new ATOM 0 HD11 LEU A 67 25.313 -12.202 1.535 1.00 1.90 H new ATOM 0 HD12 LEU A 67 25.632 -11.539 -0.086 1.00 1.90 H new ATOM 0 HD13 LEU A 67 26.989 -11.967 0.983 1.00 1.90 H new ATOM 0 HD21 LEU A 67 25.706 -10.831 3.545 1.00 2.13 H new ATOM 0 HD22 LEU A 67 27.399 -10.537 3.079 1.00 2.13 H new ATOM 0 HD23 LEU A 67 26.312 -9.164 3.397 1.00 2.13 H new ATOM 953 N ASP A 68 27.862 -7.113 -1.236 1.00 0.79 N ATOM 954 CA ASP A 68 28.091 -5.729 -1.635 1.00 0.94 C ATOM 955 C ASP A 68 27.430 -5.446 -2.980 1.00 0.86 C ATOM 956 O ASP A 68 26.709 -4.459 -3.132 1.00 0.91 O ATOM 957 CB ASP A 68 29.592 -5.434 -1.712 1.00 1.12 C ATOM 958 CG ASP A 68 29.876 -3.995 -2.097 1.00 1.55 C ATOM 959 OD1 ASP A 68 29.848 -3.123 -1.203 1.00 2.04 O ATOM 960 OD2 ASP A 68 30.122 -3.738 -3.294 1.00 2.24 O ATOM 0 H ASP A 68 28.709 -7.633 -1.005 1.00 0.79 H new ATOM 0 HA ASP A 68 27.646 -5.077 -0.883 1.00 0.94 H new ATOM 0 HB2 ASP A 68 30.052 -5.647 -0.747 1.00 1.12 H new ATOM 0 HB3 ASP A 68 30.054 -6.101 -2.440 1.00 1.12 H new ATOM 965 N THR A 69 27.673 -6.323 -3.955 1.00 0.80 N ATOM 966 CA THR A 69 27.089 -6.166 -5.284 1.00 0.80 C ATOM 967 C THR A 69 25.567 -6.077 -5.192 1.00 0.67 C ATOM 968 O THR A 69 24.962 -5.119 -5.679 1.00 0.73 O ATOM 969 CB THR A 69 27.502 -7.328 -6.193 1.00 0.86 C ATOM 970 OG1 THR A 69 28.895 -7.564 -6.099 1.00 1.02 O ATOM 971 CG2 THR A 69 27.179 -7.094 -7.654 1.00 0.94 C ATOM 0 H THR A 69 28.268 -7.145 -3.849 1.00 0.80 H new ATOM 0 HA THR A 69 27.464 -5.239 -5.717 1.00 0.80 H new ATOM 0 HB THR A 69 26.927 -8.185 -5.843 1.00 0.86 H new ATOM 0 HG1 THR A 69 29.095 -8.007 -5.248 1.00 1.02 H new ATOM 0 HG21 THR A 69 27.498 -7.956 -8.240 1.00 0.94 H new ATOM 0 HG22 THR A 69 26.104 -6.954 -7.771 1.00 0.94 H new ATOM 0 HG23 THR A 69 27.701 -6.204 -8.004 1.00 0.94 H new ATOM 979 N GLY A 70 24.947 -7.069 -4.548 1.00 0.57 N ATOM 980 CA GLY A 70 23.503 -7.059 -4.398 1.00 0.59 C ATOM 981 C GLY A 70 23.012 -5.772 -3.761 1.00 0.69 C ATOM 982 O GLY A 70 22.009 -5.197 -4.186 1.00 0.79 O ATOM 0 H GLY A 70 25.418 -7.872 -4.132 1.00 0.57 H new ATOM 0 HA2 GLY A 70 23.035 -7.183 -5.375 1.00 0.59 H new ATOM 0 HA3 GLY A 70 23.195 -7.908 -3.787 1.00 0.59 H new ATOM 986 N LYS A 71 23.727 -5.315 -2.735 1.00 0.76 N ATOM 987 CA LYS A 71 23.368 -4.086 -2.038 1.00 0.94 C ATOM 988 C LYS A 71 23.366 -2.910 -3.007 1.00 0.99 C ATOM 989 O LYS A 71 22.520 -2.022 -2.919 1.00 1.12 O ATOM 990 CB LYS A 71 24.342 -3.817 -0.887 1.00 1.05 C ATOM 991 CG LYS A 71 23.751 -2.964 0.229 1.00 1.35 C ATOM 992 CD LYS A 71 24.503 -1.652 0.393 1.00 1.91 C ATOM 993 CE LYS A 71 23.936 -0.817 1.532 1.00 2.53 C ATOM 994 NZ LYS A 71 22.482 -0.548 1.355 1.00 3.25 N ATOM 0 H LYS A 71 24.558 -5.779 -2.369 1.00 0.76 H new ATOM 0 HA LYS A 71 22.366 -4.205 -1.626 1.00 0.94 H new ATOM 0 HB2 LYS A 71 24.669 -4.769 -0.470 1.00 1.05 H new ATOM 0 HB3 LYS A 71 25.228 -3.320 -1.281 1.00 1.05 H new ATOM 0 HG2 LYS A 71 22.703 -2.758 0.013 1.00 1.35 H new ATOM 0 HG3 LYS A 71 23.780 -3.520 1.166 1.00 1.35 H new ATOM 0 HD2 LYS A 71 25.557 -1.858 0.582 1.00 1.91 H new ATOM 0 HD3 LYS A 71 24.451 -1.084 -0.536 1.00 1.91 H new ATOM 0 HE2 LYS A 71 24.096 -1.336 2.477 1.00 2.53 H new ATOM 0 HE3 LYS A 71 24.475 0.128 1.592 1.00 2.53 H new ATOM 0 HZ1 LYS A 71 22.183 0.195 2.019 1.00 3.25 H new ATOM 0 HZ2 LYS A 71 22.303 -0.233 0.380 1.00 3.25 H new ATOM 0 HZ3 LYS A 71 21.943 -1.417 1.542 1.00 3.25 H new ATOM 1008 N LYS A 72 24.318 -2.918 -3.938 1.00 0.95 N ATOM 1009 CA LYS A 72 24.423 -1.855 -4.931 1.00 1.08 C ATOM 1010 C LYS A 72 23.105 -1.685 -5.677 1.00 1.06 C ATOM 1011 O LYS A 72 22.516 -0.604 -5.676 1.00 1.26 O ATOM 1012 CB LYS A 72 25.558 -2.151 -5.917 1.00 1.14 C ATOM 1013 CG LYS A 72 26.389 -0.927 -6.277 1.00 1.49 C ATOM 1014 CD LYS A 72 25.644 0.004 -7.225 1.00 2.07 C ATOM 1015 CE LYS A 72 25.464 1.394 -6.630 1.00 2.89 C ATOM 1016 NZ LYS A 72 24.205 1.506 -5.844 1.00 3.71 N ATOM 0 H LYS A 72 25.025 -3.648 -4.024 1.00 0.95 H new ATOM 0 HA LYS A 72 24.648 -0.924 -4.411 1.00 1.08 H new ATOM 0 HB2 LYS A 72 26.212 -2.910 -5.488 1.00 1.14 H new ATOM 0 HB3 LYS A 72 25.135 -2.573 -6.829 1.00 1.14 H new ATOM 0 HG2 LYS A 72 26.652 -0.386 -5.368 1.00 1.49 H new ATOM 0 HG3 LYS A 72 27.323 -1.245 -6.740 1.00 1.49 H new ATOM 0 HD2 LYS A 72 26.191 0.079 -8.165 1.00 2.07 H new ATOM 0 HD3 LYS A 72 24.667 -0.421 -7.458 1.00 2.07 H new ATOM 0 HE2 LYS A 72 26.314 1.626 -5.988 1.00 2.89 H new ATOM 0 HE3 LYS A 72 25.458 2.133 -7.431 1.00 2.89 H new ATOM 0 HZ1 LYS A 72 23.672 2.341 -6.160 1.00 3.71 H new ATOM 0 HZ2 LYS A 72 23.629 0.652 -5.988 1.00 3.71 H new ATOM 0 HZ3 LYS A 72 24.434 1.603 -4.834 1.00 3.71 H new ATOM 1030 N LEU A 73 22.643 -2.760 -6.311 1.00 0.89 N ATOM 1031 CA LEU A 73 21.388 -2.720 -7.059 1.00 0.98 C ATOM 1032 C LEU A 73 20.259 -2.189 -6.180 1.00 1.14 C ATOM 1033 O LEU A 73 19.392 -1.447 -6.646 1.00 1.32 O ATOM 1034 CB LEU A 73 21.017 -4.108 -7.600 1.00 0.97 C ATOM 1035 CG LEU A 73 22.133 -5.161 -7.576 1.00 0.92 C ATOM 1036 CD1 LEU A 73 21.585 -6.516 -8.004 1.00 0.96 C ATOM 1037 CD2 LEU A 73 23.292 -4.746 -8.471 1.00 1.52 C ATOM 0 H LEU A 73 23.115 -3.664 -6.322 1.00 0.89 H new ATOM 0 HA LEU A 73 21.529 -2.048 -7.906 1.00 0.98 H new ATOM 0 HB2 LEU A 73 20.174 -4.488 -7.022 1.00 0.97 H new ATOM 0 HB3 LEU A 73 20.673 -3.995 -8.628 1.00 0.97 H new ATOM 0 HG LEU A 73 22.508 -5.241 -6.556 1.00 0.92 H new ATOM 0 HD11 LEU A 73 22.386 -7.255 -7.983 1.00 0.96 H new ATOM 0 HD12 LEU A 73 20.792 -6.820 -7.321 1.00 0.96 H new ATOM 0 HD13 LEU A 73 21.184 -6.444 -9.015 1.00 0.96 H new ATOM 0 HD21 LEU A 73 24.070 -5.509 -8.436 1.00 1.52 H new ATOM 0 HD22 LEU A 73 22.938 -4.634 -9.496 1.00 1.52 H new ATOM 0 HD23 LEU A 73 23.699 -3.797 -8.122 1.00 1.52 H new ATOM 1049 N SER A 74 20.272 -2.587 -4.911 1.00 1.13 N ATOM 1050 CA SER A 74 19.251 -2.162 -3.962 1.00 1.36 C ATOM 1051 C SER A 74 19.229 -0.643 -3.824 1.00 1.52 C ATOM 1052 O SER A 74 18.176 -0.021 -3.950 1.00 1.76 O ATOM 1053 CB SER A 74 19.487 -2.811 -2.596 1.00 1.37 C ATOM 1054 OG SER A 74 19.651 -4.214 -2.721 1.00 1.67 O ATOM 0 H SER A 74 20.981 -3.205 -4.517 1.00 1.13 H new ATOM 0 HA SER A 74 18.283 -2.485 -4.344 1.00 1.36 H new ATOM 0 HB2 SER A 74 20.373 -2.378 -2.132 1.00 1.37 H new ATOM 0 HB3 SER A 74 18.645 -2.597 -1.937 1.00 1.37 H new ATOM 0 HG SER A 74 20.540 -4.408 -3.084 1.00 1.67 H new ATOM 1060 N ASP A 75 20.394 -0.048 -3.563 1.00 1.47 N ATOM 1061 CA ASP A 75 20.495 1.405 -3.405 1.00 1.71 C ATOM 1062 C ASP A 75 19.854 2.134 -4.581 1.00 1.86 C ATOM 1063 O ASP A 75 19.132 3.116 -4.397 1.00 2.14 O ATOM 1064 CB ASP A 75 21.957 1.844 -3.275 1.00 1.72 C ATOM 1065 CG ASP A 75 22.804 0.872 -2.478 1.00 1.79 C ATOM 1066 OD1 ASP A 75 22.328 0.383 -1.432 1.00 2.34 O ATOM 1067 OD2 ASP A 75 23.947 0.605 -2.898 1.00 2.15 O ATOM 0 H ASP A 75 21.278 -0.546 -3.457 1.00 1.47 H new ATOM 0 HA ASP A 75 19.960 1.666 -2.492 1.00 1.71 H new ATOM 0 HB2 ASP A 75 22.385 1.957 -4.271 1.00 1.72 H new ATOM 0 HB3 ASP A 75 21.994 2.824 -2.799 1.00 1.72 H new ATOM 1072 N ASP A 76 20.138 1.657 -5.789 1.00 1.77 N ATOM 1073 CA ASP A 76 19.606 2.270 -7.005 1.00 2.01 C ATOM 1074 C ASP A 76 18.127 1.935 -7.207 1.00 1.98 C ATOM 1075 O ASP A 76 17.581 2.147 -8.290 1.00 2.28 O ATOM 1076 CB ASP A 76 20.417 1.817 -8.223 1.00 2.20 C ATOM 1077 CG ASP A 76 21.908 1.751 -7.936 1.00 2.36 C ATOM 1078 OD1 ASP A 76 22.480 2.783 -7.525 1.00 2.89 O ATOM 1079 OD2 ASP A 76 22.499 0.666 -8.115 1.00 2.64 O ATOM 0 H ASP A 76 20.735 0.846 -5.954 1.00 1.77 H new ATOM 0 HA ASP A 76 19.691 3.351 -6.895 1.00 2.01 H new ATOM 0 HB2 ASP A 76 20.068 0.835 -8.544 1.00 2.20 H new ATOM 0 HB3 ASP A 76 20.239 2.504 -9.050 1.00 2.20 H new ATOM 1084 N ASN A 77 17.485 1.418 -6.160 1.00 1.87 N ATOM 1085 CA ASN A 77 16.069 1.059 -6.214 1.00 2.13 C ATOM 1086 C ASN A 77 15.724 0.343 -7.519 1.00 1.92 C ATOM 1087 O ASN A 77 14.683 0.602 -8.125 1.00 2.30 O ATOM 1088 CB ASN A 77 15.205 2.314 -6.049 1.00 3.00 C ATOM 1089 CG ASN A 77 15.097 2.760 -4.602 1.00 3.68 C ATOM 1090 OD1 ASN A 77 14.018 2.735 -4.012 1.00 3.93 O ATOM 1091 ND2 ASN A 77 16.220 3.168 -4.022 1.00 4.42 N ATOM 0 H ASN A 77 17.927 1.238 -5.259 1.00 1.87 H new ATOM 0 HA ASN A 77 15.862 0.371 -5.395 1.00 2.13 H new ATOM 0 HB2 ASN A 77 15.628 3.123 -6.644 1.00 3.00 H new ATOM 0 HB3 ASN A 77 14.207 2.118 -6.441 1.00 3.00 H new ATOM 0 HD21 ASN A 77 16.209 3.477 -3.050 1.00 4.42 H new ATOM 0 HD22 ASN A 77 17.094 3.173 -4.549 1.00 4.42 H new ATOM 1098 N THR A 78 16.605 -0.557 -7.950 1.00 2.42 N ATOM 1099 CA THR A 78 16.389 -1.308 -9.184 1.00 3.13 C ATOM 1100 C THR A 78 15.307 -2.368 -8.988 1.00 3.07 C ATOM 1101 O THR A 78 15.248 -3.020 -7.945 1.00 3.33 O ATOM 1102 CB THR A 78 17.694 -1.965 -9.641 1.00 4.02 C ATOM 1103 OG1 THR A 78 18.795 -1.103 -9.410 1.00 4.29 O ATOM 1104 CG2 THR A 78 17.701 -2.331 -11.110 1.00 4.87 C ATOM 0 H THR A 78 17.473 -0.783 -7.464 1.00 2.42 H new ATOM 0 HA THR A 78 16.056 -0.613 -9.954 1.00 3.13 H new ATOM 0 HB THR A 78 17.776 -2.881 -9.055 1.00 4.02 H new ATOM 0 HG1 THR A 78 19.115 -1.220 -8.491 1.00 4.29 H new ATOM 0 HG21 THR A 78 18.655 -2.792 -11.366 1.00 4.87 H new ATOM 0 HG22 THR A 78 16.893 -3.033 -11.314 1.00 4.87 H new ATOM 0 HG23 THR A 78 17.560 -1.432 -11.710 1.00 4.87 H new ATOM 1112 N ILE A 79 14.451 -2.535 -9.994 1.00 3.06 N ATOM 1113 CA ILE A 79 13.373 -3.516 -9.927 1.00 3.21 C ATOM 1114 C ILE A 79 13.924 -4.920 -9.684 1.00 2.90 C ATOM 1115 O ILE A 79 14.668 -5.455 -10.506 1.00 3.08 O ATOM 1116 CB ILE A 79 12.524 -3.515 -11.219 1.00 3.81 C ATOM 1117 CG1 ILE A 79 11.399 -4.551 -11.120 1.00 4.11 C ATOM 1118 CG2 ILE A 79 13.397 -3.784 -12.441 1.00 4.49 C ATOM 1119 CD1 ILE A 79 10.315 -4.372 -12.161 1.00 4.56 C ATOM 0 H ILE A 79 14.484 -2.004 -10.864 1.00 3.06 H new ATOM 0 HA ILE A 79 12.736 -3.231 -9.090 1.00 3.21 H new ATOM 0 HB ILE A 79 12.076 -2.528 -11.334 1.00 3.81 H new ATOM 0 HG12 ILE A 79 11.826 -5.549 -11.220 1.00 4.11 H new ATOM 0 HG13 ILE A 79 10.951 -4.494 -10.128 1.00 4.11 H new ATOM 0 HG21 ILE A 79 12.778 -3.779 -13.338 1.00 4.49 H new ATOM 0 HG22 ILE A 79 14.159 -3.009 -12.521 1.00 4.49 H new ATOM 0 HG23 ILE A 79 13.878 -4.757 -12.338 1.00 4.49 H new ATOM 0 HD11 ILE A 79 9.553 -5.141 -12.029 1.00 4.56 H new ATOM 0 HD12 ILE A 79 9.861 -3.388 -12.048 1.00 4.56 H new ATOM 0 HD13 ILE A 79 10.749 -4.459 -13.157 1.00 4.56 H new ATOM 1131 N GLY A 80 13.561 -5.504 -8.545 1.00 2.87 N ATOM 1132 CA GLY A 80 14.029 -6.838 -8.203 1.00 2.77 C ATOM 1133 C GLY A 80 14.839 -6.846 -6.924 1.00 2.49 C ATOM 1134 O GLY A 80 14.947 -7.875 -6.254 1.00 2.38 O ATOM 0 H GLY A 80 12.949 -5.076 -7.850 1.00 2.87 H new ATOM 0 HA2 GLY A 80 13.174 -7.505 -8.094 1.00 2.77 H new ATOM 0 HA3 GLY A 80 14.637 -7.229 -9.019 1.00 2.77 H new ATOM 1138 N LYS A 81 15.409 -5.690 -6.586 1.00 2.47 N ATOM 1139 CA LYS A 81 16.219 -5.554 -5.378 1.00 2.30 C ATOM 1140 C LYS A 81 15.541 -6.199 -4.170 1.00 2.13 C ATOM 1141 O LYS A 81 16.200 -6.845 -3.363 1.00 1.92 O ATOM 1142 CB LYS A 81 16.511 -4.078 -5.086 1.00 2.45 C ATOM 1143 CG LYS A 81 15.279 -3.183 -5.096 1.00 2.98 C ATOM 1144 CD LYS A 81 14.786 -2.880 -3.688 1.00 3.54 C ATOM 1145 CE LYS A 81 13.768 -1.750 -3.682 1.00 4.27 C ATOM 1146 NZ LYS A 81 12.720 -1.935 -4.724 1.00 4.40 N ATOM 0 H LYS A 81 15.324 -4.833 -7.133 1.00 2.47 H new ATOM 0 HA LYS A 81 17.159 -6.075 -5.557 1.00 2.30 H new ATOM 0 HB2 LYS A 81 16.994 -4.001 -4.112 1.00 2.45 H new ATOM 0 HB3 LYS A 81 17.222 -3.707 -5.825 1.00 2.45 H new ATOM 0 HG2 LYS A 81 15.513 -2.249 -5.608 1.00 2.98 H new ATOM 0 HG3 LYS A 81 14.484 -3.667 -5.663 1.00 2.98 H new ATOM 0 HD2 LYS A 81 14.338 -3.776 -3.258 1.00 3.54 H new ATOM 0 HD3 LYS A 81 15.632 -2.611 -3.056 1.00 3.54 H new ATOM 0 HE2 LYS A 81 13.297 -1.692 -2.701 1.00 4.27 H new ATOM 0 HE3 LYS A 81 14.279 -0.801 -3.847 1.00 4.27 H new ATOM 0 HZ1 LYS A 81 11.782 -1.773 -4.305 1.00 4.40 H new ATOM 0 HZ2 LYS A 81 12.876 -1.257 -5.497 1.00 4.40 H new ATOM 0 HZ3 LYS A 81 12.769 -2.904 -5.098 1.00 4.40 H new ATOM 1160 N GLU A 82 14.229 -6.025 -4.051 1.00 2.24 N ATOM 1161 CA GLU A 82 13.484 -6.600 -2.937 1.00 2.14 C ATOM 1162 C GLU A 82 13.670 -8.115 -2.884 1.00 1.94 C ATOM 1163 O GLU A 82 14.130 -8.656 -1.877 1.00 1.76 O ATOM 1164 CB GLU A 82 11.995 -6.248 -3.042 1.00 2.37 C ATOM 1165 CG GLU A 82 11.446 -6.278 -4.464 1.00 2.74 C ATOM 1166 CD GLU A 82 11.342 -4.898 -5.085 1.00 2.68 C ATOM 1167 OE1 GLU A 82 12.334 -4.443 -5.689 1.00 3.00 O ATOM 1168 OE2 GLU A 82 10.271 -4.268 -4.962 1.00 2.89 O ATOM 0 H GLU A 82 13.661 -5.492 -4.710 1.00 2.24 H new ATOM 0 HA GLU A 82 13.876 -6.174 -2.013 1.00 2.14 H new ATOM 0 HB2 GLU A 82 11.424 -6.945 -2.429 1.00 2.37 H new ATOM 0 HB3 GLU A 82 11.838 -5.254 -2.624 1.00 2.37 H new ATOM 0 HG2 GLU A 82 12.090 -6.902 -5.084 1.00 2.74 H new ATOM 0 HG3 GLU A 82 10.460 -6.744 -4.458 1.00 2.74 H new ATOM 1175 N GLU A 83 13.320 -8.794 -3.974 1.00 2.03 N ATOM 1176 CA GLU A 83 13.464 -10.244 -4.046 1.00 1.94 C ATOM 1177 C GLU A 83 14.893 -10.643 -3.705 1.00 1.73 C ATOM 1178 O GLU A 83 15.126 -11.575 -2.934 1.00 1.57 O ATOM 1179 CB GLU A 83 13.093 -10.750 -5.444 1.00 2.17 C ATOM 1180 CG GLU A 83 13.608 -12.152 -5.755 1.00 2.39 C ATOM 1181 CD GLU A 83 12.553 -13.230 -5.563 1.00 2.51 C ATOM 1182 OE1 GLU A 83 11.817 -13.173 -4.555 1.00 2.93 O ATOM 1183 OE2 GLU A 83 12.465 -14.136 -6.421 1.00 2.94 O ATOM 0 H GLU A 83 12.936 -8.365 -4.816 1.00 2.03 H new ATOM 0 HA GLU A 83 12.787 -10.699 -3.323 1.00 1.94 H new ATOM 0 HB2 GLU A 83 12.008 -10.742 -5.546 1.00 2.17 H new ATOM 0 HB3 GLU A 83 13.488 -10.056 -6.186 1.00 2.17 H new ATOM 0 HG2 GLU A 83 13.966 -12.181 -6.784 1.00 2.39 H new ATOM 0 HG3 GLU A 83 14.462 -12.370 -5.114 1.00 2.39 H new ATOM 1190 N ILE A 84 15.848 -9.926 -4.287 1.00 1.75 N ATOM 1191 CA ILE A 84 17.257 -10.195 -4.048 1.00 1.60 C ATOM 1192 C ILE A 84 17.571 -10.136 -2.558 1.00 1.38 C ATOM 1193 O ILE A 84 18.138 -11.071 -2.001 1.00 1.22 O ATOM 1194 CB ILE A 84 18.160 -9.191 -4.799 1.00 1.73 C ATOM 1195 CG1 ILE A 84 17.975 -9.336 -6.313 1.00 2.03 C ATOM 1196 CG2 ILE A 84 19.623 -9.389 -4.416 1.00 1.57 C ATOM 1197 CD1 ILE A 84 18.744 -8.311 -7.119 1.00 2.47 C ATOM 0 H ILE A 84 15.669 -9.153 -4.928 1.00 1.75 H new ATOM 0 HA ILE A 84 17.462 -11.197 -4.424 1.00 1.60 H new ATOM 0 HB ILE A 84 17.867 -8.182 -4.509 1.00 1.73 H new ATOM 0 HG12 ILE A 84 18.291 -10.335 -6.615 1.00 2.03 H new ATOM 0 HG13 ILE A 84 16.915 -9.251 -6.551 1.00 2.03 H new ATOM 0 HG21 ILE A 84 20.241 -8.672 -4.956 1.00 1.57 H new ATOM 0 HG22 ILE A 84 19.742 -9.235 -3.344 1.00 1.57 H new ATOM 0 HG23 ILE A 84 19.933 -10.402 -4.674 1.00 1.57 H new ATOM 0 HD11 ILE A 84 18.565 -8.475 -8.182 1.00 2.47 H new ATOM 0 HD12 ILE A 84 18.412 -7.309 -6.846 1.00 2.47 H new ATOM 0 HD13 ILE A 84 19.809 -8.409 -6.911 1.00 2.47 H new ATOM 1209 N GLN A 85 17.194 -9.033 -1.919 1.00 1.45 N ATOM 1210 CA GLN A 85 17.437 -8.853 -0.493 1.00 1.35 C ATOM 1211 C GLN A 85 16.866 -10.017 0.309 1.00 1.19 C ATOM 1212 O GLN A 85 17.516 -10.529 1.220 1.00 1.05 O ATOM 1213 CB GLN A 85 16.832 -7.530 -0.007 1.00 1.56 C ATOM 1214 CG GLN A 85 17.736 -6.759 0.945 1.00 1.77 C ATOM 1215 CD GLN A 85 18.246 -7.612 2.091 1.00 2.36 C ATOM 1216 OE1 GLN A 85 19.289 -8.259 1.984 1.00 2.80 O ATOM 1217 NE2 GLN A 85 17.511 -7.621 3.196 1.00 3.13 N ATOM 0 H GLN A 85 16.719 -8.250 -2.367 1.00 1.45 H new ATOM 0 HA GLN A 85 18.515 -8.825 -0.337 1.00 1.35 H new ATOM 0 HB2 GLN A 85 16.609 -6.903 -0.871 1.00 1.56 H new ATOM 0 HB3 GLN A 85 15.884 -7.735 0.491 1.00 1.56 H new ATOM 0 HG2 GLN A 85 18.585 -6.360 0.390 1.00 1.77 H new ATOM 0 HG3 GLN A 85 17.189 -5.907 1.348 1.00 1.77 H new ATOM 0 HE21 GLN A 85 16.654 -7.070 3.243 1.00 3.13 H new ATOM 0 HE22 GLN A 85 17.804 -8.178 3.999 1.00 3.13 H new ATOM 1226 N GLN A 86 15.651 -10.434 -0.032 1.00 1.26 N ATOM 1227 CA GLN A 86 15.007 -11.541 0.663 1.00 1.18 C ATOM 1228 C GLN A 86 15.830 -12.818 0.525 1.00 1.03 C ATOM 1229 O GLN A 86 16.113 -13.492 1.515 1.00 0.90 O ATOM 1230 CB GLN A 86 13.588 -11.764 0.126 1.00 1.37 C ATOM 1231 CG GLN A 86 12.506 -11.068 0.941 1.00 1.47 C ATOM 1232 CD GLN A 86 12.513 -11.469 2.406 1.00 2.31 C ATOM 1233 OE1 GLN A 86 13.018 -12.664 2.697 1.00 2.90 O flip ATOM 1234 NE2 GLN A 86 12.071 -10.712 3.270 1.00 3.09 N flip ATOM 0 H GLN A 86 15.095 -10.024 -0.782 1.00 1.26 H new ATOM 0 HA GLN A 86 14.942 -11.284 1.720 1.00 1.18 H new ATOM 0 HB2 GLN A 86 13.539 -11.409 -0.903 1.00 1.37 H new ATOM 0 HB3 GLN A 86 13.382 -12.834 0.104 1.00 1.37 H new ATOM 0 HG2 GLN A 86 12.640 -9.989 0.865 1.00 1.47 H new ATOM 0 HG3 GLN A 86 11.531 -11.299 0.512 1.00 1.47 H new ATOM 0 HE21 GLN A 86 11.692 -9.803 3.006 1.00 3.09 H new ATOM 0 HE22 GLN A 86 12.084 -10.994 4.250 1.00 3.09 H new ATOM 1243 N ARG A 87 16.225 -13.140 -0.706 1.00 1.11 N ATOM 1244 CA ARG A 87 17.026 -14.334 -0.958 1.00 1.09 C ATOM 1245 C ARG A 87 18.374 -14.221 -0.256 1.00 0.91 C ATOM 1246 O ARG A 87 18.837 -15.164 0.382 1.00 0.87 O ATOM 1247 CB ARG A 87 17.229 -14.546 -2.462 1.00 1.29 C ATOM 1248 CG ARG A 87 16.535 -15.789 -3.003 1.00 1.78 C ATOM 1249 CD ARG A 87 17.314 -16.417 -4.148 1.00 2.22 C ATOM 1250 NE ARG A 87 17.348 -15.552 -5.324 1.00 2.81 N ATOM 1251 CZ ARG A 87 17.962 -15.868 -6.459 1.00 3.73 C ATOM 1252 NH1 ARG A 87 18.580 -17.035 -6.574 1.00 4.21 N ATOM 1253 NH2 ARG A 87 17.974 -15.019 -7.477 1.00 4.43 N ATOM 0 H ARG A 87 16.004 -12.594 -1.539 1.00 1.11 H new ATOM 0 HA ARG A 87 16.491 -15.196 -0.560 1.00 1.09 H new ATOM 0 HB2 ARG A 87 16.858 -13.672 -2.997 1.00 1.29 H new ATOM 0 HB3 ARG A 87 18.297 -14.617 -2.669 1.00 1.29 H new ATOM 0 HG2 ARG A 87 16.417 -16.518 -2.201 1.00 1.78 H new ATOM 0 HG3 ARG A 87 15.534 -15.527 -3.345 1.00 1.78 H new ATOM 0 HD2 ARG A 87 18.333 -16.626 -3.822 1.00 2.22 H new ATOM 0 HD3 ARG A 87 16.862 -17.373 -4.413 1.00 2.22 H new ATOM 0 HE ARG A 87 16.872 -14.651 -5.271 1.00 2.81 H new ATOM 0 HH11 ARG A 87 18.584 -17.689 -5.792 1.00 4.21 H new ATOM 0 HH12 ARG A 87 19.052 -17.279 -7.445 1.00 4.21 H new ATOM 0 HH21 ARG A 87 17.509 -14.115 -7.393 1.00 4.43 H new ATOM 0 HH22 ARG A 87 18.448 -15.270 -8.345 1.00 4.43 H new ATOM 1267 N LEU A 88 18.997 -13.055 -0.383 1.00 0.87 N ATOM 1268 CA LEU A 88 20.286 -12.796 0.236 1.00 0.78 C ATOM 1269 C LEU A 88 20.224 -13.070 1.735 1.00 0.71 C ATOM 1270 O LEU A 88 21.107 -13.721 2.293 1.00 0.67 O ATOM 1271 CB LEU A 88 20.698 -11.345 -0.023 1.00 0.86 C ATOM 1272 CG LEU A 88 22.100 -10.964 0.464 1.00 1.04 C ATOM 1273 CD1 LEU A 88 22.773 -10.032 -0.535 1.00 1.90 C ATOM 1274 CD2 LEU A 88 22.030 -10.316 1.841 1.00 1.15 C ATOM 0 H LEU A 88 18.624 -12.269 -0.915 1.00 0.87 H new ATOM 0 HA LEU A 88 21.029 -13.462 -0.202 1.00 0.78 H new ATOM 0 HB2 LEU A 88 20.639 -11.154 -1.095 1.00 0.86 H new ATOM 0 HB3 LEU A 88 19.973 -10.688 0.458 1.00 0.86 H new ATOM 0 HG LEU A 88 22.698 -11.872 0.544 1.00 1.04 H new ATOM 0 HD11 LEU A 88 23.768 -9.770 -0.175 1.00 1.90 H new ATOM 0 HD12 LEU A 88 22.856 -10.532 -1.500 1.00 1.90 H new ATOM 0 HD13 LEU A 88 22.177 -9.126 -0.646 1.00 1.90 H new ATOM 0 HD21 LEU A 88 23.035 -10.052 2.171 1.00 1.15 H new ATOM 0 HD22 LEU A 88 21.417 -9.416 1.789 1.00 1.15 H new ATOM 0 HD23 LEU A 88 21.588 -11.016 2.550 1.00 1.15 H new ATOM 1286 N ALA A 89 19.169 -12.579 2.383 1.00 0.77 N ATOM 1287 CA ALA A 89 18.997 -12.786 3.816 1.00 0.81 C ATOM 1288 C ALA A 89 18.865 -14.269 4.129 1.00 0.74 C ATOM 1289 O ALA A 89 19.341 -14.740 5.163 1.00 0.77 O ATOM 1290 CB ALA A 89 17.784 -12.019 4.323 1.00 0.97 C ATOM 0 H ALA A 89 18.426 -12.039 1.940 1.00 0.77 H new ATOM 0 HA ALA A 89 19.881 -12.406 4.329 1.00 0.81 H new ATOM 0 HB1 ALA A 89 17.670 -12.185 5.394 1.00 0.97 H new ATOM 0 HB2 ALA A 89 17.921 -10.954 4.133 1.00 0.97 H new ATOM 0 HB3 ALA A 89 16.890 -12.368 3.805 1.00 0.97 H new ATOM 1296 N GLN A 90 18.225 -15.002 3.222 1.00 0.73 N ATOM 1297 CA GLN A 90 18.042 -16.438 3.395 1.00 0.79 C ATOM 1298 C GLN A 90 19.382 -17.151 3.226 1.00 0.73 C ATOM 1299 O GLN A 90 19.665 -18.138 3.903 1.00 0.79 O ATOM 1300 CB GLN A 90 16.996 -16.973 2.401 1.00 0.90 C ATOM 1301 CG GLN A 90 17.548 -17.919 1.342 1.00 1.35 C ATOM 1302 CD GLN A 90 16.458 -18.498 0.460 1.00 1.96 C ATOM 1303 OE1 GLN A 90 15.755 -17.768 -0.238 1.00 2.38 O ATOM 1304 NE2 GLN A 90 16.304 -19.817 0.495 1.00 2.72 N ATOM 0 H GLN A 90 17.826 -14.625 2.362 1.00 0.73 H new ATOM 0 HA GLN A 90 17.671 -16.634 4.401 1.00 0.79 H new ATOM 0 HB2 GLN A 90 16.216 -17.490 2.959 1.00 0.90 H new ATOM 0 HB3 GLN A 90 16.523 -16.127 1.902 1.00 0.90 H new ATOM 0 HG2 GLN A 90 18.268 -17.385 0.722 1.00 1.35 H new ATOM 0 HG3 GLN A 90 18.087 -18.731 1.830 1.00 1.35 H new ATOM 0 HE21 GLN A 90 16.909 -20.386 1.088 1.00 2.72 H new ATOM 0 HE22 GLN A 90 15.581 -20.261 -0.071 1.00 2.72 H new ATOM 1313 N PHE A 91 20.205 -16.629 2.319 1.00 0.66 N ATOM 1314 CA PHE A 91 21.521 -17.196 2.057 1.00 0.67 C ATOM 1315 C PHE A 91 22.361 -17.179 3.325 1.00 0.67 C ATOM 1316 O PHE A 91 22.903 -18.206 3.735 1.00 0.74 O ATOM 1317 CB PHE A 91 22.230 -16.408 0.949 1.00 0.65 C ATOM 1318 CG PHE A 91 23.585 -16.948 0.591 1.00 0.66 C ATOM 1319 CD1 PHE A 91 24.661 -16.725 1.427 1.00 1.03 C ATOM 1320 CD2 PHE A 91 23.788 -17.673 -0.577 1.00 0.93 C ATOM 1321 CE1 PHE A 91 25.907 -17.215 1.112 1.00 1.19 C ATOM 1322 CE2 PHE A 91 25.039 -18.161 -0.895 1.00 0.92 C ATOM 1323 CZ PHE A 91 26.074 -17.960 -0.099 1.00 0.90 C ATOM 0 H PHE A 91 19.980 -15.811 1.752 1.00 0.66 H new ATOM 0 HA PHE A 91 21.396 -18.228 1.729 1.00 0.67 H new ATOM 0 HB2 PHE A 91 21.602 -16.408 0.058 1.00 0.65 H new ATOM 0 HB3 PHE A 91 22.335 -15.370 1.265 1.00 0.65 H new ATOM 0 HD1 PHE A 91 24.523 -16.160 2.337 1.00 1.03 H new ATOM 0 HD2 PHE A 91 22.958 -17.856 -1.243 1.00 0.93 H new ATOM 0 HE1 PHE A 91 26.747 -17.040 1.768 1.00 1.19 H new ATOM 0 HE2 PHE A 91 25.174 -18.717 -1.811 1.00 0.92 H new ATOM 0 HZ PHE A 91 27.044 -18.357 -0.361 1.00 0.90 H new ATOM 1333 N VAL A 92 22.454 -16.011 3.953 1.00 0.64 N ATOM 1334 CA VAL A 92 23.223 -15.875 5.180 1.00 0.72 C ATOM 1335 C VAL A 92 22.745 -16.892 6.203 1.00 0.77 C ATOM 1336 O VAL A 92 23.535 -17.663 6.748 1.00 0.86 O ATOM 1337 CB VAL A 92 23.113 -14.455 5.778 1.00 0.77 C ATOM 1338 CG1 VAL A 92 24.274 -14.180 6.723 1.00 0.86 C ATOM 1339 CG2 VAL A 92 23.056 -13.407 4.673 1.00 1.37 C ATOM 0 H VAL A 92 22.008 -15.151 3.633 1.00 0.64 H new ATOM 0 HA VAL A 92 24.269 -16.054 4.932 1.00 0.72 H new ATOM 0 HB VAL A 92 22.187 -14.396 6.349 1.00 0.77 H new ATOM 0 HG11 VAL A 92 24.179 -13.175 7.134 1.00 0.86 H new ATOM 0 HG12 VAL A 92 24.262 -14.907 7.535 1.00 0.86 H new ATOM 0 HG13 VAL A 92 25.214 -14.261 6.178 1.00 0.86 H new ATOM 0 HG21 VAL A 92 22.979 -12.414 5.117 1.00 1.37 H new ATOM 0 HG22 VAL A 92 23.962 -13.465 4.069 1.00 1.37 H new ATOM 0 HG23 VAL A 92 22.187 -13.591 4.042 1.00 1.37 H new ATOM 1349 N ASP A 93 21.436 -16.907 6.437 1.00 0.77 N ATOM 1350 CA ASP A 93 20.845 -17.850 7.374 1.00 0.86 C ATOM 1351 C ASP A 93 21.333 -19.261 7.071 1.00 0.91 C ATOM 1352 O ASP A 93 21.874 -19.944 7.935 1.00 1.00 O ATOM 1353 CB ASP A 93 19.315 -17.792 7.304 1.00 0.90 C ATOM 1354 CG ASP A 93 18.666 -19.078 7.781 1.00 1.10 C ATOM 1355 OD1 ASP A 93 18.679 -19.330 9.004 1.00 1.71 O ATOM 1356 OD2 ASP A 93 18.161 -19.838 6.928 1.00 1.55 O ATOM 0 H ASP A 93 20.768 -16.278 5.991 1.00 0.77 H new ATOM 0 HA ASP A 93 21.154 -17.577 8.383 1.00 0.86 H new ATOM 0 HB2 ASP A 93 18.957 -16.961 7.911 1.00 0.90 H new ATOM 0 HB3 ASP A 93 19.008 -17.592 6.277 1.00 0.90 H new ATOM 1361 N HIS A 94 21.160 -19.686 5.827 1.00 0.89 N ATOM 1362 CA HIS A 94 21.589 -21.013 5.411 1.00 0.98 C ATOM 1363 C HIS A 94 23.049 -21.257 5.769 1.00 1.00 C ATOM 1364 O HIS A 94 23.365 -22.218 6.470 1.00 1.12 O ATOM 1365 CB HIS A 94 21.391 -21.183 3.905 1.00 1.00 C ATOM 1366 CG HIS A 94 19.954 -21.213 3.480 1.00 1.35 C ATOM 1367 ND1 HIS A 94 18.897 -20.898 4.307 1.00 2.17 N ATOM 1368 CD2 HIS A 94 19.405 -21.537 2.282 1.00 1.73 C ATOM 1369 CE1 HIS A 94 17.768 -21.038 3.603 1.00 2.46 C ATOM 1370 NE2 HIS A 94 18.021 -21.424 2.368 1.00 2.14 N ATOM 0 H HIS A 94 20.726 -19.131 5.089 1.00 0.89 H new ATOM 0 HA HIS A 94 20.979 -21.744 5.941 1.00 0.98 H new ATOM 0 HB2 HIS A 94 21.895 -20.367 3.388 1.00 1.00 H new ATOM 0 HB3 HIS A 94 21.873 -22.108 3.587 1.00 1.00 H new ATOM 0 HD1 HIS A 94 18.964 -20.609 5.283 1.00 2.17 H new ATOM 0 HD2 HIS A 94 19.955 -21.835 1.402 1.00 1.73 H new ATOM 0 HE1 HIS A 94 16.778 -20.858 3.995 1.00 2.46 H new ATOM 1378 N TRP A 95 23.942 -20.385 5.297 1.00 0.93 N ATOM 1379 CA TRP A 95 25.363 -20.549 5.582 1.00 1.00 C ATOM 1380 C TRP A 95 25.637 -20.557 7.080 1.00 1.06 C ATOM 1381 O TRP A 95 26.538 -21.254 7.538 1.00 1.16 O ATOM 1382 CB TRP A 95 26.211 -19.471 4.904 1.00 0.97 C ATOM 1383 CG TRP A 95 27.677 -19.802 4.935 1.00 1.09 C ATOM 1384 CD1 TRP A 95 28.239 -21.023 4.709 1.00 2.01 C ATOM 1385 CD2 TRP A 95 28.760 -18.912 5.223 1.00 1.04 C ATOM 1386 NE1 TRP A 95 29.603 -20.947 4.843 1.00 1.88 N ATOM 1387 CE2 TRP A 95 29.946 -19.662 5.154 1.00 1.04 C ATOM 1388 CE3 TRP A 95 28.843 -17.557 5.529 1.00 2.03 C ATOM 1389 CZ2 TRP A 95 31.195 -19.099 5.386 1.00 1.13 C ATOM 1390 CZ3 TRP A 95 30.083 -16.995 5.758 1.00 2.64 C ATOM 1391 CH2 TRP A 95 31.245 -17.768 5.685 1.00 2.05 C ATOM 0 H TRP A 95 23.710 -19.573 4.726 1.00 0.93 H new ATOM 0 HA TRP A 95 25.649 -21.517 5.170 1.00 1.00 H new ATOM 0 HB2 TRP A 95 25.888 -19.354 3.870 1.00 0.97 H new ATOM 0 HB3 TRP A 95 26.045 -18.515 5.400 1.00 0.97 H new ATOM 0 HD1 TRP A 95 27.691 -21.920 4.461 1.00 2.01 H new ATOM 0 HE1 TRP A 95 30.254 -21.724 4.729 1.00 1.88 H new ATOM 0 HE3 TRP A 95 27.949 -16.953 5.587 1.00 2.03 H new ATOM 0 HZ2 TRP A 95 32.095 -19.694 5.332 1.00 1.13 H new ATOM 0 HZ3 TRP A 95 30.156 -15.944 5.997 1.00 2.64 H new ATOM 0 HH2 TRP A 95 32.202 -17.303 5.869 1.00 2.05 H new ATOM 1402 N LYS A 96 24.873 -19.782 7.847 1.00 1.03 N ATOM 1403 CA LYS A 96 25.074 -19.744 9.289 1.00 1.12 C ATOM 1404 C LYS A 96 24.936 -21.150 9.869 1.00 1.21 C ATOM 1405 O LYS A 96 25.767 -21.581 10.668 1.00 1.32 O ATOM 1406 CB LYS A 96 24.121 -18.741 9.972 1.00 1.12 C ATOM 1407 CG LYS A 96 22.741 -19.286 10.334 1.00 1.49 C ATOM 1408 CD LYS A 96 22.505 -19.289 11.838 1.00 1.83 C ATOM 1409 CE LYS A 96 21.020 -19.235 12.170 1.00 2.36 C ATOM 1410 NZ LYS A 96 20.232 -20.196 11.350 1.00 2.86 N ATOM 0 H LYS A 96 24.123 -19.183 7.500 1.00 1.03 H new ATOM 0 HA LYS A 96 26.085 -19.389 9.489 1.00 1.12 H new ATOM 0 HB2 LYS A 96 24.598 -18.375 10.881 1.00 1.12 H new ATOM 0 HB3 LYS A 96 23.992 -17.883 9.313 1.00 1.12 H new ATOM 0 HG2 LYS A 96 21.974 -18.683 9.848 1.00 1.49 H new ATOM 0 HG3 LYS A 96 22.640 -20.301 9.949 1.00 1.49 H new ATOM 0 HD2 LYS A 96 22.944 -20.186 12.274 1.00 1.83 H new ATOM 0 HD3 LYS A 96 23.011 -18.435 12.288 1.00 1.83 H new ATOM 0 HE2 LYS A 96 20.876 -19.457 13.227 1.00 2.36 H new ATOM 0 HE3 LYS A 96 20.647 -18.224 12.003 1.00 2.36 H new ATOM 0 HZ1 LYS A 96 19.439 -20.564 11.913 1.00 2.86 H new ATOM 0 HZ2 LYS A 96 19.863 -19.712 10.507 1.00 2.86 H new ATOM 0 HZ3 LYS A 96 20.843 -20.985 11.057 1.00 2.86 H new ATOM 1424 N GLU A 97 23.907 -21.881 9.437 1.00 1.20 N ATOM 1425 CA GLU A 97 23.704 -23.243 9.903 1.00 1.32 C ATOM 1426 C GLU A 97 24.916 -24.100 9.562 1.00 1.36 C ATOM 1427 O GLU A 97 25.442 -24.819 10.410 1.00 1.47 O ATOM 1428 CB GLU A 97 22.442 -23.838 9.277 1.00 1.36 C ATOM 1429 CG GLU A 97 21.196 -22.991 9.485 1.00 1.86 C ATOM 1430 CD GLU A 97 20.703 -23.022 10.921 1.00 2.35 C ATOM 1431 OE1 GLU A 97 21.427 -22.524 11.809 1.00 3.03 O ATOM 1432 OE2 GLU A 97 19.592 -23.539 11.157 1.00 2.68 O ATOM 0 H GLU A 97 23.209 -21.551 8.770 1.00 1.20 H new ATOM 0 HA GLU A 97 23.579 -23.226 10.986 1.00 1.32 H new ATOM 0 HB2 GLU A 97 22.606 -23.970 8.208 1.00 1.36 H new ATOM 0 HB3 GLU A 97 22.271 -24.829 9.698 1.00 1.36 H new ATOM 0 HG2 GLU A 97 21.410 -21.961 9.200 1.00 1.86 H new ATOM 0 HG3 GLU A 97 20.405 -23.347 8.825 1.00 1.86 H new ATOM 1439 N LEU A 98 25.365 -24.006 8.312 1.00 1.31 N ATOM 1440 CA LEU A 98 26.527 -24.766 7.861 1.00 1.37 C ATOM 1441 C LEU A 98 27.728 -24.467 8.750 1.00 1.42 C ATOM 1442 O LEU A 98 28.425 -25.376 9.196 1.00 1.54 O ATOM 1443 CB LEU A 98 26.863 -24.435 6.402 1.00 1.31 C ATOM 1444 CG LEU A 98 25.670 -24.429 5.438 1.00 1.61 C ATOM 1445 CD1 LEU A 98 26.140 -24.199 4.006 1.00 2.38 C ATOM 1446 CD2 LEU A 98 24.886 -25.729 5.545 1.00 2.07 C ATOM 0 H LEU A 98 24.943 -23.414 7.597 1.00 1.31 H new ATOM 0 HA LEU A 98 26.287 -25.827 7.928 1.00 1.37 H new ATOM 0 HB2 LEU A 98 27.340 -23.455 6.370 1.00 1.31 H new ATOM 0 HB3 LEU A 98 27.595 -25.158 6.042 1.00 1.31 H new ATOM 0 HG LEU A 98 25.008 -23.609 5.717 1.00 1.61 H new ATOM 0 HD11 LEU A 98 25.280 -24.198 3.336 1.00 2.38 H new ATOM 0 HD12 LEU A 98 26.652 -23.239 3.941 1.00 2.38 H new ATOM 0 HD13 LEU A 98 26.825 -24.996 3.715 1.00 2.38 H new ATOM 0 HD21 LEU A 98 24.044 -25.704 4.853 1.00 2.07 H new ATOM 0 HD22 LEU A 98 25.536 -26.568 5.296 1.00 2.07 H new ATOM 0 HD23 LEU A 98 24.515 -25.848 6.563 1.00 2.07 H new ATOM 1458 N LYS A 99 27.954 -23.183 9.012 1.00 1.38 N ATOM 1459 CA LYS A 99 29.062 -22.751 9.856 1.00 1.47 C ATOM 1460 C LYS A 99 28.979 -23.439 11.216 1.00 1.60 C ATOM 1461 O LYS A 99 29.932 -24.086 11.656 1.00 1.74 O ATOM 1462 CB LYS A 99 29.036 -21.228 10.022 1.00 1.45 C ATOM 1463 CG LYS A 99 30.416 -20.581 10.025 1.00 1.90 C ATOM 1464 CD LYS A 99 30.580 -19.591 8.879 1.00 2.41 C ATOM 1465 CE LYS A 99 29.758 -18.328 9.101 1.00 3.14 C ATOM 1466 NZ LYS A 99 28.415 -18.418 8.460 1.00 4.07 N ATOM 0 H LYS A 99 27.381 -22.421 8.650 1.00 1.38 H new ATOM 0 HA LYS A 99 30.002 -23.030 9.380 1.00 1.47 H new ATOM 0 HB2 LYS A 99 28.445 -20.795 9.215 1.00 1.45 H new ATOM 0 HB3 LYS A 99 28.529 -20.983 10.955 1.00 1.45 H new ATOM 0 HG2 LYS A 99 30.575 -20.068 10.974 1.00 1.90 H new ATOM 0 HG3 LYS A 99 31.180 -21.355 9.949 1.00 1.90 H new ATOM 0 HD2 LYS A 99 31.632 -19.326 8.775 1.00 2.41 H new ATOM 0 HD3 LYS A 99 30.276 -20.063 7.945 1.00 2.41 H new ATOM 0 HE2 LYS A 99 29.639 -18.156 10.171 1.00 3.14 H new ATOM 0 HE3 LYS A 99 30.296 -17.470 8.698 1.00 3.14 H new ATOM 0 HZ1 LYS A 99 27.881 -17.546 8.649 1.00 4.07 H new ATOM 0 HZ2 LYS A 99 28.528 -18.540 7.433 1.00 4.07 H new ATOM 0 HZ3 LYS A 99 27.898 -19.232 8.850 1.00 4.07 H new ATOM 1480 N GLN A 100 27.823 -23.319 11.868 1.00 1.58 N ATOM 1481 CA GLN A 100 27.610 -23.950 13.166 1.00 1.72 C ATOM 1482 C GLN A 100 27.920 -25.443 13.077 1.00 1.81 C ATOM 1483 O GLN A 100 28.679 -25.979 13.886 1.00 1.95 O ATOM 1484 CB GLN A 100 26.168 -23.740 13.642 1.00 1.71 C ATOM 1485 CG GLN A 100 25.733 -22.279 13.723 1.00 1.93 C ATOM 1486 CD GLN A 100 26.896 -21.303 13.751 1.00 2.66 C ATOM 1487 OE1 GLN A 100 27.699 -21.368 14.807 1.00 3.23 O flip ATOM 1488 NE2 GLN A 100 27.069 -20.498 12.836 1.00 3.33 N flip ATOM 0 H GLN A 100 27.023 -22.792 11.518 1.00 1.58 H new ATOM 0 HA GLN A 100 28.281 -23.487 13.889 1.00 1.72 H new ATOM 0 HB2 GLN A 100 25.496 -24.269 12.967 1.00 1.71 H new ATOM 0 HB3 GLN A 100 26.054 -24.195 14.626 1.00 1.71 H new ATOM 0 HG2 GLN A 100 25.096 -22.049 12.868 1.00 1.93 H new ATOM 0 HG3 GLN A 100 25.128 -22.137 14.618 1.00 1.93 H new ATOM 0 HE21 GLN A 100 26.428 -20.482 12.043 1.00 3.33 H new ATOM 0 HE22 GLN A 100 27.853 -19.847 12.871 1.00 3.33 H new ATOM 1497 N LEU A 101 27.335 -26.107 12.082 1.00 1.77 N ATOM 1498 CA LEU A 101 27.556 -27.535 11.877 1.00 1.89 C ATOM 1499 C LEU A 101 29.051 -27.841 11.826 1.00 1.96 C ATOM 1500 O LEU A 101 29.524 -28.761 12.487 1.00 2.12 O ATOM 1501 CB LEU A 101 26.880 -27.998 10.582 1.00 1.86 C ATOM 1502 CG LEU A 101 26.963 -29.505 10.308 1.00 2.09 C ATOM 1503 CD1 LEU A 101 25.957 -30.260 11.167 1.00 2.56 C ATOM 1504 CD2 LEU A 101 26.733 -29.793 8.831 1.00 2.59 C ATOM 0 H LEU A 101 26.704 -25.678 11.405 1.00 1.77 H new ATOM 0 HA LEU A 101 27.117 -28.076 12.715 1.00 1.89 H new ATOM 0 HB2 LEU A 101 25.830 -27.708 10.615 1.00 1.86 H new ATOM 0 HB3 LEU A 101 27.332 -27.467 9.744 1.00 1.86 H new ATOM 0 HG LEU A 101 27.963 -29.849 10.571 1.00 2.09 H new ATOM 0 HD11 LEU A 101 26.030 -31.328 10.959 1.00 2.56 H new ATOM 0 HD12 LEU A 101 26.171 -30.080 12.221 1.00 2.56 H new ATOM 0 HD13 LEU A 101 24.949 -29.914 10.937 1.00 2.56 H new ATOM 0 HD21 LEU A 101 26.796 -30.867 8.656 1.00 2.59 H new ATOM 0 HD22 LEU A 101 25.746 -29.435 8.540 1.00 2.59 H new ATOM 0 HD23 LEU A 101 27.493 -29.284 8.238 1.00 2.59 H new ATOM 1516 N ALA A 102 29.787 -27.057 11.039 1.00 1.86 N ATOM 1517 CA ALA A 102 31.229 -27.239 10.907 1.00 1.95 C ATOM 1518 C ALA A 102 31.894 -27.289 12.279 1.00 2.09 C ATOM 1519 O ALA A 102 32.680 -28.191 12.569 1.00 2.24 O ATOM 1520 CB ALA A 102 31.830 -26.124 10.063 1.00 1.85 C ATOM 0 H ALA A 102 29.407 -26.290 10.484 1.00 1.86 H new ATOM 0 HA ALA A 102 31.410 -28.189 10.405 1.00 1.95 H new ATOM 0 HB1 ALA A 102 32.906 -26.274 9.974 1.00 1.85 H new ATOM 0 HB2 ALA A 102 31.379 -26.135 9.071 1.00 1.85 H new ATOM 0 HB3 ALA A 102 31.636 -25.163 10.539 1.00 1.85 H new ATOM 1526 N ALA A 103 31.568 -26.315 13.124 1.00 2.07 N ATOM 1527 CA ALA A 103 32.127 -26.254 14.469 1.00 2.24 C ATOM 1528 C ALA A 103 31.849 -27.555 15.217 1.00 2.38 C ATOM 1529 O ALA A 103 32.748 -28.143 15.821 1.00 2.56 O ATOM 1530 CB ALA A 103 31.555 -25.065 15.231 1.00 2.21 C ATOM 0 H ALA A 103 30.921 -25.559 12.901 1.00 2.07 H new ATOM 0 HA ALA A 103 33.206 -26.123 14.391 1.00 2.24 H new ATOM 0 HB1 ALA A 103 31.983 -25.035 16.233 1.00 2.21 H new ATOM 0 HB2 ALA A 103 31.800 -24.143 14.704 1.00 2.21 H new ATOM 0 HB3 ALA A 103 30.472 -25.165 15.302 1.00 2.21 H new ATOM 1536 N ALA A 104 30.597 -28.000 15.163 1.00 2.34 N ATOM 1537 CA ALA A 104 30.195 -29.236 15.824 1.00 2.50 C ATOM 1538 C ALA A 104 31.027 -30.412 15.321 1.00 2.58 C ATOM 1539 O ALA A 104 31.471 -31.254 16.103 1.00 2.74 O ATOM 1540 CB ALA A 104 28.712 -29.499 15.601 1.00 2.48 C ATOM 0 H ALA A 104 29.844 -27.523 14.668 1.00 2.34 H new ATOM 0 HA ALA A 104 30.371 -29.126 16.894 1.00 2.50 H new ATOM 0 HB1 ALA A 104 28.428 -30.425 16.101 1.00 2.48 H new ATOM 0 HB2 ALA A 104 28.130 -28.673 16.010 1.00 2.48 H new ATOM 0 HB3 ALA A 104 28.515 -29.588 14.533 1.00 2.48 H new ATOM 1546 N ARG A 105 31.242 -30.459 14.008 1.00 2.50 N ATOM 1547 CA ARG A 105 32.028 -31.526 13.397 1.00 2.60 C ATOM 1548 C ARG A 105 33.430 -31.557 13.992 1.00 2.72 C ATOM 1549 O ARG A 105 33.981 -32.627 14.252 1.00 2.88 O ATOM 1550 CB ARG A 105 32.104 -31.340 11.877 1.00 2.49 C ATOM 1551 CG ARG A 105 30.946 -31.980 11.122 1.00 2.62 C ATOM 1552 CD ARG A 105 31.421 -32.747 9.894 1.00 2.76 C ATOM 1553 NE ARG A 105 31.050 -34.160 9.949 1.00 3.19 N ATOM 1554 CZ ARG A 105 31.623 -35.047 10.758 1.00 3.86 C ATOM 1555 NH1 ARG A 105 32.574 -34.662 11.594 1.00 4.42 N ATOM 1556 NH2 ARG A 105 31.257 -36.321 10.725 1.00 4.39 N ATOM 0 H ARG A 105 30.882 -29.770 13.347 1.00 2.50 H new ATOM 0 HA ARG A 105 31.536 -32.476 13.605 1.00 2.60 H new ATOM 0 HB2 ARG A 105 32.128 -30.274 11.651 1.00 2.49 H new ATOM 0 HB3 ARG A 105 33.041 -31.764 11.515 1.00 2.49 H new ATOM 0 HG2 ARG A 105 30.409 -32.657 11.787 1.00 2.62 H new ATOM 0 HG3 ARG A 105 30.241 -31.207 10.817 1.00 2.62 H new ATOM 0 HD2 ARG A 105 30.995 -32.296 8.998 1.00 2.76 H new ATOM 0 HD3 ARG A 105 32.504 -32.660 9.810 1.00 2.76 H new ATOM 0 HE ARG A 105 30.307 -34.485 9.330 1.00 3.19 H new ATOM 0 HH11 ARG A 105 32.867 -33.685 11.618 1.00 4.42 H new ATOM 0 HH12 ARG A 105 33.014 -35.342 12.214 1.00 4.42 H new ATOM 0 HH21 ARG A 105 30.532 -36.627 10.076 1.00 4.39 H new ATOM 0 HH22 ARG A 105 31.701 -36.995 11.348 1.00 4.39 H new ATOM 1570 N GLY A 106 33.999 -30.373 14.212 1.00 2.67 N ATOM 1571 CA GLY A 106 35.330 -30.280 14.783 1.00 2.83 C ATOM 1572 C GLY A 106 35.423 -31.001 16.112 1.00 3.06 C ATOM 1573 O GLY A 106 36.418 -31.669 16.398 1.00 3.27 O ATOM 0 H GLY A 106 33.560 -29.476 14.004 1.00 2.67 H new ATOM 0 HA2 GLY A 106 36.054 -30.704 14.088 1.00 2.83 H new ATOM 0 HA3 GLY A 106 35.595 -29.231 14.919 1.00 2.83 H new ATOM 1577 N GLN A 107 34.373 -30.871 16.919 1.00 3.06 N ATOM 1578 CA GLN A 107 34.322 -31.522 18.223 1.00 3.32 C ATOM 1579 C GLN A 107 34.216 -33.033 18.054 1.00 3.48 C ATOM 1580 O GLN A 107 34.847 -33.799 18.784 1.00 3.75 O ATOM 1581 CB GLN A 107 33.129 -30.999 19.030 1.00 3.32 C ATOM 1582 CG GLN A 107 33.081 -31.512 20.462 1.00 3.59 C ATOM 1583 CD GLN A 107 31.663 -31.663 20.979 1.00 3.56 C ATOM 1584 OE1 GLN A 107 31.047 -32.718 20.835 1.00 3.65 O ATOM 1585 NE2 GLN A 107 31.138 -30.606 21.584 1.00 4.07 N ATOM 0 H GLN A 107 33.546 -30.320 16.691 1.00 3.06 H new ATOM 0 HA GLN A 107 35.240 -31.292 18.763 1.00 3.32 H new ATOM 0 HB2 GLN A 107 33.163 -29.910 19.046 1.00 3.32 H new ATOM 0 HB3 GLN A 107 32.207 -31.282 18.522 1.00 3.32 H new ATOM 0 HG2 GLN A 107 33.588 -32.475 20.516 1.00 3.59 H new ATOM 0 HG3 GLN A 107 33.629 -30.826 21.108 1.00 3.59 H new ATOM 0 HE21 GLN A 107 31.685 -29.750 21.682 1.00 4.07 H new ATOM 0 HE22 GLN A 107 30.187 -30.649 21.952 1.00 4.07 H new