USER MOD reduce.3.24.130724 H: found=0, std=0, add=732, rem=0, adj=21 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= 1.08 K(o=1.5,f=-0.084) USER MOD Set 1.2: A 94 HIS : no HE2:sc= 0.427 K(o=1.5,f=-4.4!) USER MOD Set 2.1: A 78 THR OG1 : rot -73:sc= 1.61 USER MOD Set 2.2: A 81 LYS NZ :NH3+ 172:sc= 1.64 (180deg=0.501) USER MOD Set 3.1: A 71 LYS NZ :NH3+ -172:sc= -0.812 (180deg=-0.887) USER MOD Set 3.2: A 74 SER OG : rot -63:sc= 0.93 USER MOD Set 3.3: A 77 ASN : amide:sc= -1.21 K(o=-0.012,f=-6.3) USER MOD Set 3.4: A 85 GLN : amide:sc= 1.08 K(o=-0.012,f=-4.7) USER MOD Set 4.1: A 59 HIS : no HE2:sc= -10.5! C(o=-10!,f=-15!) USER MOD Set 4.2: A 99 LYS NZ :NH3+ -136:sc= 0.367 (180deg=-2.38!) USER MOD Set 5.1: A 27 LYS NZ :NH3+ 176:sc= 0.592 (180deg=-0.392) USER MOD Set 5.2: A 31 SER OG : rot 76:sc= 1.69 USER MOD Set 6.1: A 21 SER OG : rot -142:sc= 0.257 USER MOD Set 6.2: A 24 LYS NZ :NH3+ -173:sc= 1.02 (180deg=0.873) USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 MET CE :methyl -165:sc= -0.23 (180deg=-0.817) USER MOD Single : A 26 LYS NZ :NH3+ -127:sc= 0.639 (180deg=-0.746) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 43 GLN :FLIP amide:sc= -1.69! C(o=-2.7!,f=-1.7!) USER MOD Single : A 44 ASN : amide:sc= -1.07 X(o=-1.1,f=-1.3) USER MOD Single : A 47 LYS NZ :NH3+ -168:sc= -0.0946 (180deg=-0.352) USER MOD Single : A 48 LYS NZ :NH3+ -112:sc= -1.68 (180deg=-4.49!) USER MOD Single : A 49 HIS : no HD1:sc= -0.155 X(o=-0.15,f=-0.06) USER MOD Single : A 50 LYS NZ :NH3+ -157:sc= -0.052 (180deg=-0.27) USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0.0133 USER MOD Single : A 72 LYS NZ :NH3+ -156:sc= 0.445 (180deg=-0.2) USER MOD Single : A 86 GLN :FLIP amide:sc= 0 F(o=-1.2,f=0) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 107 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 10 24.323 -8.716 -14.518 1.00 1.70 N ATOM 2 CA HIS A 10 24.541 -10.080 -15.000 1.00 1.73 C ATOM 3 C HIS A 10 25.502 -10.831 -14.085 1.00 1.58 C ATOM 4 O HIS A 10 25.225 -11.956 -13.669 1.00 1.52 O ATOM 5 CB HIS A 10 25.081 -10.063 -16.434 1.00 2.04 C ATOM 6 CG HIS A 10 24.417 -9.045 -17.310 1.00 2.54 C ATOM 7 ND1 HIS A 10 25.065 -7.953 -17.844 1.00 3.19 N ATOM 8 CD2 HIS A 10 23.132 -8.969 -17.742 1.00 3.29 C ATOM 9 CE1 HIS A 10 24.172 -7.260 -18.566 1.00 4.01 C ATOM 10 NE2 HIS A 10 22.985 -7.835 -18.537 1.00 4.11 N ATOM 0 HA HIS A 10 23.582 -10.599 -14.993 1.00 1.73 H new ATOM 0 HB2 HIS A 10 26.153 -9.865 -16.408 1.00 2.04 H new ATOM 0 HB3 HIS A 10 24.950 -11.051 -16.875 1.00 2.04 H new ATOM 0 HD2 HIS A 10 22.349 -9.675 -17.507 1.00 3.29 H new ATOM 0 HE1 HIS A 10 24.396 -6.349 -19.102 1.00 4.01 H new ATOM 0 HE2 HIS A 10 22.135 -7.515 -19.001 1.00 4.11 H new ATOM 18 N GLN A 11 26.629 -10.202 -13.770 1.00 1.60 N ATOM 19 CA GLN A 11 27.619 -10.814 -12.898 1.00 1.56 C ATOM 20 C GLN A 11 26.989 -11.204 -11.567 1.00 1.29 C ATOM 21 O GLN A 11 27.221 -12.299 -11.056 1.00 1.26 O ATOM 22 CB GLN A 11 28.788 -9.859 -12.656 1.00 1.75 C ATOM 23 CG GLN A 11 29.603 -9.555 -13.903 1.00 2.28 C ATOM 24 CD GLN A 11 30.864 -8.771 -13.595 1.00 3.08 C ATOM 25 OE1 GLN A 11 30.817 -7.562 -13.369 1.00 3.64 O ATOM 26 NE2 GLN A 11 31.999 -9.458 -13.583 1.00 3.73 N ATOM 0 H GLN A 11 26.877 -9.271 -14.105 1.00 1.60 H new ATOM 0 HA GLN A 11 27.994 -11.712 -13.390 1.00 1.56 H new ATOM 0 HB2 GLN A 11 28.403 -8.924 -12.249 1.00 1.75 H new ATOM 0 HB3 GLN A 11 29.445 -10.289 -11.900 1.00 1.75 H new ATOM 0 HG2 GLN A 11 29.871 -10.490 -14.395 1.00 2.28 H new ATOM 0 HG3 GLN A 11 28.990 -8.990 -14.605 1.00 2.28 H new ATOM 0 HE21 GLN A 11 31.991 -10.460 -13.776 1.00 3.73 H new ATOM 0 HE22 GLN A 11 32.880 -8.985 -13.381 1.00 3.73 H new ATOM 35 N PHE A 12 26.190 -10.299 -11.003 1.00 1.14 N ATOM 36 CA PHE A 12 25.543 -10.560 -9.725 1.00 0.98 C ATOM 37 C PHE A 12 24.777 -11.872 -9.764 1.00 0.94 C ATOM 38 O PHE A 12 24.932 -12.710 -8.883 1.00 0.91 O ATOM 39 CB PHE A 12 24.596 -9.422 -9.332 1.00 0.98 C ATOM 40 CG PHE A 12 23.973 -9.636 -7.979 1.00 0.86 C ATOM 41 CD1 PHE A 12 24.771 -9.776 -6.856 1.00 0.83 C ATOM 42 CD2 PHE A 12 22.598 -9.729 -7.833 1.00 0.86 C ATOM 43 CE1 PHE A 12 24.213 -9.998 -5.613 1.00 0.77 C ATOM 44 CE2 PHE A 12 22.034 -9.956 -6.592 1.00 0.82 C ATOM 45 CZ PHE A 12 22.843 -10.091 -5.480 1.00 0.76 C ATOM 0 H PHE A 12 25.979 -9.388 -11.409 1.00 1.14 H new ATOM 0 HA PHE A 12 26.330 -10.628 -8.974 1.00 0.98 H new ATOM 0 HB2 PHE A 12 25.145 -8.480 -9.332 1.00 0.98 H new ATOM 0 HB3 PHE A 12 23.809 -9.332 -10.081 1.00 0.98 H new ATOM 0 HD1 PHE A 12 25.845 -9.711 -6.954 1.00 0.83 H new ATOM 0 HD2 PHE A 12 21.960 -9.623 -8.698 1.00 0.86 H new ATOM 0 HE1 PHE A 12 24.848 -10.099 -4.745 1.00 0.77 H new ATOM 0 HE2 PHE A 12 20.961 -10.028 -6.491 1.00 0.82 H new ATOM 0 HZ PHE A 12 22.404 -10.269 -4.509 1.00 0.76 H new ATOM 55 N PHE A 13 23.950 -12.057 -10.792 1.00 1.03 N ATOM 56 CA PHE A 13 23.177 -13.286 -10.912 1.00 1.16 C ATOM 57 C PHE A 13 24.090 -14.493 -10.734 1.00 1.12 C ATOM 58 O PHE A 13 23.786 -15.406 -9.965 1.00 1.08 O ATOM 59 CB PHE A 13 22.449 -13.350 -12.258 1.00 1.42 C ATOM 60 CG PHE A 13 21.113 -12.666 -12.229 1.00 1.67 C ATOM 61 CD1 PHE A 13 20.003 -13.304 -11.701 1.00 2.16 C ATOM 62 CD2 PHE A 13 20.964 -11.389 -12.750 1.00 1.91 C ATOM 63 CE1 PHE A 13 18.768 -12.683 -11.692 1.00 2.70 C ATOM 64 CE2 PHE A 13 19.732 -10.762 -12.741 1.00 2.42 C ATOM 65 CZ PHE A 13 18.646 -11.388 -12.140 1.00 2.77 C ATOM 0 H PHE A 13 23.801 -11.381 -11.542 1.00 1.03 H new ATOM 0 HA PHE A 13 22.421 -13.297 -10.127 1.00 1.16 H new ATOM 0 HB2 PHE A 13 23.072 -12.889 -13.025 1.00 1.42 H new ATOM 0 HB3 PHE A 13 22.312 -14.393 -12.543 1.00 1.42 H new ATOM 0 HD1 PHE A 13 20.103 -14.298 -11.292 1.00 2.16 H new ATOM 0 HD2 PHE A 13 21.820 -10.879 -13.167 1.00 1.91 H new ATOM 0 HE1 PHE A 13 17.899 -13.214 -11.333 1.00 2.70 H new ATOM 0 HE2 PHE A 13 19.614 -9.791 -13.199 1.00 2.42 H new ATOM 0 HZ PHE A 13 17.711 -10.860 -12.025 1.00 2.77 H new ATOM 75 N ARG A 14 25.226 -14.475 -11.427 1.00 1.21 N ATOM 76 CA ARG A 14 26.197 -15.558 -11.321 1.00 1.30 C ATOM 77 C ARG A 14 26.673 -15.685 -9.880 1.00 1.14 C ATOM 78 O ARG A 14 26.618 -16.763 -9.296 1.00 1.12 O ATOM 79 CB ARG A 14 27.390 -15.320 -12.255 1.00 1.55 C ATOM 80 CG ARG A 14 27.990 -16.602 -12.819 1.00 1.71 C ATOM 81 CD ARG A 14 28.973 -17.244 -11.848 1.00 2.48 C ATOM 82 NE ARG A 14 28.409 -18.423 -11.192 1.00 2.80 N ATOM 83 CZ ARG A 14 29.103 -19.226 -10.391 1.00 3.53 C ATOM 84 NH1 ARG A 14 30.382 -18.975 -10.148 1.00 3.79 N ATOM 85 NH2 ARG A 14 28.523 -20.282 -9.835 1.00 4.35 N ATOM 0 H ARG A 14 25.495 -13.726 -12.065 1.00 1.21 H new ATOM 0 HA ARG A 14 25.713 -16.487 -11.623 1.00 1.30 H new ATOM 0 HB2 ARG A 14 27.072 -14.684 -13.081 1.00 1.55 H new ATOM 0 HB3 ARG A 14 28.163 -14.776 -11.712 1.00 1.55 H new ATOM 0 HG2 ARG A 14 27.191 -17.308 -13.046 1.00 1.71 H new ATOM 0 HG3 ARG A 14 28.498 -16.383 -13.758 1.00 1.71 H new ATOM 0 HD2 ARG A 14 29.879 -17.527 -12.384 1.00 2.48 H new ATOM 0 HD3 ARG A 14 29.264 -16.514 -11.093 1.00 2.48 H new ATOM 0 HE ARG A 14 27.427 -18.642 -11.358 1.00 2.80 H new ATOM 0 HH11 ARG A 14 30.833 -18.166 -10.575 1.00 3.79 H new ATOM 0 HH12 ARG A 14 30.915 -19.591 -9.534 1.00 3.79 H new ATOM 0 HH21 ARG A 14 27.540 -20.481 -10.021 1.00 4.35 H new ATOM 0 HH22 ARG A 14 29.060 -20.895 -9.221 1.00 4.35 H new ATOM 99 N ASP A 15 27.136 -14.572 -9.311 1.00 1.12 N ATOM 100 CA ASP A 15 27.613 -14.561 -7.929 1.00 1.14 C ATOM 101 C ASP A 15 26.582 -15.198 -6.999 1.00 1.00 C ATOM 102 O ASP A 15 26.923 -16.014 -6.145 1.00 1.05 O ATOM 103 CB ASP A 15 27.916 -13.128 -7.464 1.00 1.29 C ATOM 104 CG ASP A 15 28.695 -12.315 -8.486 1.00 1.49 C ATOM 105 OD1 ASP A 15 29.380 -12.922 -9.339 1.00 1.84 O ATOM 106 OD2 ASP A 15 28.630 -11.068 -8.426 1.00 2.10 O ATOM 0 H ASP A 15 27.191 -13.670 -9.784 1.00 1.12 H new ATOM 0 HA ASP A 15 28.534 -15.143 -7.890 1.00 1.14 H new ATOM 0 HB2 ASP A 15 26.978 -12.619 -7.244 1.00 1.29 H new ATOM 0 HB3 ASP A 15 28.483 -13.168 -6.534 1.00 1.29 H new ATOM 111 N MET A 16 25.317 -14.820 -7.172 1.00 0.93 N ATOM 112 CA MET A 16 24.240 -15.359 -6.349 1.00 0.98 C ATOM 113 C MET A 16 24.172 -16.875 -6.505 1.00 0.88 C ATOM 114 O MET A 16 24.245 -17.614 -5.525 1.00 0.88 O ATOM 115 CB MET A 16 22.898 -14.723 -6.731 1.00 1.15 C ATOM 116 CG MET A 16 22.252 -13.939 -5.599 1.00 1.45 C ATOM 117 SD MET A 16 20.681 -13.195 -6.074 1.00 1.92 S ATOM 118 CE MET A 16 19.841 -13.123 -4.492 1.00 2.23 C ATOM 0 H MET A 16 25.015 -14.144 -7.873 1.00 0.93 H new ATOM 0 HA MET A 16 24.447 -15.120 -5.306 1.00 0.98 H new ATOM 0 HB2 MET A 16 23.049 -14.059 -7.582 1.00 1.15 H new ATOM 0 HB3 MET A 16 22.213 -15.506 -7.056 1.00 1.15 H new ATOM 0 HG2 MET A 16 22.093 -14.602 -4.749 1.00 1.45 H new ATOM 0 HG3 MET A 16 22.935 -13.156 -5.269 1.00 1.45 H new ATOM 0 HE1 MET A 16 18.778 -12.941 -4.652 1.00 2.23 H new ATOM 0 HE2 MET A 16 19.972 -14.069 -3.967 1.00 2.23 H new ATOM 0 HE3 MET A 16 20.261 -12.315 -3.893 1.00 2.23 H new ATOM 128 N ASP A 17 24.052 -17.341 -7.744 1.00 0.91 N ATOM 129 CA ASP A 17 24.000 -18.772 -8.001 1.00 0.97 C ATOM 130 C ASP A 17 25.199 -19.455 -7.351 1.00 0.88 C ATOM 131 O ASP A 17 25.050 -20.471 -6.684 1.00 0.86 O ATOM 132 CB ASP A 17 23.956 -19.058 -9.512 1.00 1.19 C ATOM 133 CG ASP A 17 22.874 -18.275 -10.240 1.00 1.80 C ATOM 134 OD1 ASP A 17 22.925 -17.024 -10.225 1.00 2.44 O ATOM 135 OD2 ASP A 17 21.976 -18.914 -10.826 1.00 2.46 O ATOM 0 H ASP A 17 23.990 -16.754 -8.576 1.00 0.91 H new ATOM 0 HA ASP A 17 23.086 -19.175 -7.564 1.00 0.97 H new ATOM 0 HB2 ASP A 17 24.925 -18.818 -9.949 1.00 1.19 H new ATOM 0 HB3 ASP A 17 23.791 -20.124 -9.669 1.00 1.19 H new ATOM 140 N ASP A 18 26.384 -18.879 -7.536 1.00 0.95 N ATOM 141 CA ASP A 18 27.600 -19.430 -6.951 1.00 1.09 C ATOM 142 C ASP A 18 27.422 -19.644 -5.455 1.00 1.01 C ATOM 143 O ASP A 18 27.640 -20.743 -4.949 1.00 1.05 O ATOM 144 CB ASP A 18 28.790 -18.500 -7.214 1.00 1.33 C ATOM 145 CG ASP A 18 28.370 -17.064 -7.476 1.00 1.90 C ATOM 146 OD1 ASP A 18 27.402 -16.598 -6.838 1.00 2.49 O ATOM 147 OD2 ASP A 18 29.017 -16.402 -8.316 1.00 2.48 O ATOM 0 H ASP A 18 26.527 -18.032 -8.086 1.00 0.95 H new ATOM 0 HA ASP A 18 27.800 -20.394 -7.419 1.00 1.09 H new ATOM 0 HB2 ASP A 18 29.462 -18.526 -6.356 1.00 1.33 H new ATOM 0 HB3 ASP A 18 29.352 -18.871 -8.071 1.00 1.33 H new ATOM 152 N GLU A 19 27.009 -18.593 -4.749 1.00 1.02 N ATOM 153 CA GLU A 19 26.796 -18.694 -3.313 1.00 1.12 C ATOM 154 C GLU A 19 25.726 -19.749 -3.018 1.00 0.89 C ATOM 155 O GLU A 19 25.989 -20.721 -2.306 1.00 0.88 O ATOM 156 CB GLU A 19 26.458 -17.320 -2.706 1.00 1.38 C ATOM 157 CG GLU A 19 25.018 -16.853 -2.887 1.00 2.04 C ATOM 158 CD GLU A 19 24.650 -15.695 -1.973 1.00 2.53 C ATOM 159 OE1 GLU A 19 25.552 -15.148 -1.302 1.00 3.02 O ATOM 160 OE2 GLU A 19 23.456 -15.326 -1.934 1.00 3.07 O ATOM 0 H GLU A 19 26.818 -17.673 -5.146 1.00 1.02 H new ATOM 0 HA GLU A 19 27.719 -19.020 -2.835 1.00 1.12 H new ATOM 0 HB2 GLU A 19 26.679 -17.350 -1.639 1.00 1.38 H new ATOM 0 HB3 GLU A 19 27.120 -16.575 -3.148 1.00 1.38 H new ATOM 0 HG2 GLU A 19 24.867 -16.553 -3.924 1.00 2.04 H new ATOM 0 HG3 GLU A 19 24.344 -17.688 -2.696 1.00 2.04 H new ATOM 167 N GLU A 20 24.536 -19.592 -3.602 1.00 0.84 N ATOM 168 CA GLU A 20 23.471 -20.572 -3.416 1.00 0.84 C ATOM 169 C GLU A 20 24.033 -21.978 -3.619 1.00 0.73 C ATOM 170 O GLU A 20 23.703 -22.909 -2.883 1.00 0.78 O ATOM 171 CB GLU A 20 22.323 -20.312 -4.402 1.00 1.03 C ATOM 172 CG GLU A 20 21.128 -19.592 -3.787 1.00 1.61 C ATOM 173 CD GLU A 20 20.200 -20.528 -3.034 1.00 1.98 C ATOM 174 OE1 GLU A 20 19.539 -21.360 -3.690 1.00 2.50 O ATOM 175 OE2 GLU A 20 20.134 -20.432 -1.790 1.00 2.49 O ATOM 0 H GLU A 20 24.290 -18.804 -4.201 1.00 0.84 H new ATOM 0 HA GLU A 20 23.078 -20.483 -2.403 1.00 0.84 H new ATOM 0 HB2 GLU A 20 22.701 -19.720 -5.236 1.00 1.03 H new ATOM 0 HB3 GLU A 20 21.988 -21.264 -4.813 1.00 1.03 H new ATOM 0 HG2 GLU A 20 21.486 -18.819 -3.107 1.00 1.61 H new ATOM 0 HG3 GLU A 20 20.568 -19.089 -4.575 1.00 1.61 H new ATOM 182 N SER A 21 24.904 -22.116 -4.618 1.00 0.75 N ATOM 183 CA SER A 21 25.539 -23.390 -4.918 1.00 0.89 C ATOM 184 C SER A 21 26.444 -23.807 -3.765 1.00 0.84 C ATOM 185 O SER A 21 26.501 -24.982 -3.415 1.00 0.91 O ATOM 186 CB SER A 21 26.344 -23.292 -6.219 1.00 1.14 C ATOM 187 OG SER A 21 25.656 -23.908 -7.293 1.00 1.59 O ATOM 0 H SER A 21 25.185 -21.353 -5.234 1.00 0.75 H new ATOM 0 HA SER A 21 24.764 -24.146 -5.048 1.00 0.89 H new ATOM 0 HB2 SER A 21 26.531 -22.245 -6.456 1.00 1.14 H new ATOM 0 HB3 SER A 21 27.316 -23.767 -6.085 1.00 1.14 H new ATOM 0 HG SER A 21 26.298 -24.371 -7.871 1.00 1.59 H new ATOM 193 N TRP A 22 27.134 -22.836 -3.160 1.00 0.91 N ATOM 194 CA TRP A 22 28.016 -23.124 -2.031 1.00 1.05 C ATOM 195 C TRP A 22 27.236 -23.850 -0.949 1.00 0.87 C ATOM 196 O TRP A 22 27.699 -24.844 -0.405 1.00 0.92 O ATOM 197 CB TRP A 22 28.633 -21.851 -1.448 1.00 1.38 C ATOM 198 CG TRP A 22 29.337 -22.103 -0.148 1.00 1.53 C ATOM 199 CD1 TRP A 22 30.621 -22.523 0.016 1.00 2.19 C ATOM 200 CD2 TRP A 22 28.789 -21.975 1.170 1.00 1.39 C ATOM 201 NE1 TRP A 22 30.902 -22.661 1.351 1.00 2.16 N ATOM 202 CE2 TRP A 22 29.796 -22.327 2.075 1.00 1.65 C ATOM 203 CE3 TRP A 22 27.548 -21.592 1.670 1.00 1.73 C ATOM 204 CZ2 TRP A 22 29.603 -22.311 3.447 1.00 1.79 C ATOM 205 CZ3 TRP A 22 27.357 -21.575 3.034 1.00 2.24 C ATOM 206 CH2 TRP A 22 28.382 -21.933 3.908 1.00 2.11 C ATOM 0 H TRP A 22 27.098 -21.853 -3.431 1.00 0.91 H new ATOM 0 HA TRP A 22 28.829 -23.751 -2.396 1.00 1.05 H new ATOM 0 HB2 TRP A 22 29.338 -21.431 -2.165 1.00 1.38 H new ATOM 0 HB3 TRP A 22 27.851 -21.107 -1.297 1.00 1.38 H new ATOM 0 HD1 TRP A 22 31.316 -22.719 -0.787 1.00 2.19 H new ATOM 0 HE1 TRP A 22 31.795 -22.965 1.740 1.00 2.16 H new ATOM 0 HE3 TRP A 22 26.748 -21.313 1.000 1.00 1.73 H new ATOM 0 HZ2 TRP A 22 30.395 -22.589 4.126 1.00 1.79 H new ATOM 0 HZ3 TRP A 22 26.398 -21.280 3.433 1.00 2.24 H new ATOM 0 HH2 TRP A 22 28.202 -21.909 4.973 1.00 2.11 H new ATOM 217 N ILE A 23 26.042 -23.346 -0.644 1.00 0.80 N ATOM 218 CA ILE A 23 25.196 -23.977 0.360 1.00 0.90 C ATOM 219 C ILE A 23 25.083 -25.468 0.053 1.00 0.87 C ATOM 220 O ILE A 23 25.430 -26.324 0.870 1.00 0.95 O ATOM 221 CB ILE A 23 23.779 -23.355 0.389 1.00 1.16 C ATOM 222 CG1 ILE A 23 23.855 -21.832 0.569 1.00 1.34 C ATOM 223 CG2 ILE A 23 22.938 -23.988 1.491 1.00 1.46 C ATOM 224 CD1 ILE A 23 23.917 -21.383 2.013 1.00 1.92 C ATOM 0 H ILE A 23 25.644 -22.511 -1.074 1.00 0.80 H new ATOM 0 HA ILE A 23 25.654 -23.818 1.336 1.00 0.90 H new ATOM 0 HB ILE A 23 23.298 -23.558 -0.568 1.00 1.16 H new ATOM 0 HG12 ILE A 23 24.735 -21.458 0.045 1.00 1.34 H new ATOM 0 HG13 ILE A 23 22.985 -21.377 0.095 1.00 1.34 H new ATOM 0 HG21 ILE A 23 21.945 -23.538 1.495 1.00 1.46 H new ATOM 0 HG22 ILE A 23 22.849 -25.059 1.311 1.00 1.46 H new ATOM 0 HG23 ILE A 23 23.417 -23.820 2.456 1.00 1.46 H new ATOM 0 HD11 ILE A 23 23.969 -20.295 2.054 1.00 1.92 H new ATOM 0 HD12 ILE A 23 23.025 -21.724 2.539 1.00 1.92 H new ATOM 0 HD13 ILE A 23 24.802 -21.806 2.488 1.00 1.92 H new ATOM 236 N LYS A 24 24.617 -25.759 -1.156 1.00 0.92 N ATOM 237 CA LYS A 24 24.465 -27.130 -1.626 1.00 1.18 C ATOM 238 C LYS A 24 25.780 -27.901 -1.501 1.00 1.21 C ATOM 239 O LYS A 24 25.794 -29.067 -1.108 1.00 1.38 O ATOM 240 CB LYS A 24 23.999 -27.118 -3.087 1.00 1.40 C ATOM 241 CG LYS A 24 24.056 -28.476 -3.775 1.00 2.00 C ATOM 242 CD LYS A 24 25.240 -28.576 -4.729 1.00 2.68 C ATOM 243 CE LYS A 24 25.148 -27.556 -5.860 1.00 3.24 C ATOM 244 NZ LYS A 24 26.265 -26.570 -5.814 1.00 3.58 N ATOM 0 H LYS A 24 24.335 -25.053 -1.836 1.00 0.92 H new ATOM 0 HA LYS A 24 23.720 -27.631 -1.008 1.00 1.18 H new ATOM 0 HB2 LYS A 24 22.975 -26.747 -3.126 1.00 1.40 H new ATOM 0 HB3 LYS A 24 24.615 -26.414 -3.647 1.00 1.40 H new ATOM 0 HG2 LYS A 24 24.127 -29.262 -3.023 1.00 2.00 H new ATOM 0 HG3 LYS A 24 23.130 -28.644 -4.325 1.00 2.00 H new ATOM 0 HD2 LYS A 24 26.166 -28.421 -4.175 1.00 2.68 H new ATOM 0 HD3 LYS A 24 25.284 -29.581 -5.149 1.00 2.68 H new ATOM 0 HE2 LYS A 24 25.162 -28.075 -6.818 1.00 3.24 H new ATOM 0 HE3 LYS A 24 24.196 -27.029 -5.796 1.00 3.24 H new ATOM 0 HZ1 LYS A 24 26.102 -25.827 -6.523 1.00 3.58 H new ATOM 0 HZ2 LYS A 24 26.311 -26.141 -4.868 1.00 3.58 H new ATOM 0 HZ3 LYS A 24 27.163 -27.053 -6.019 1.00 3.58 H new ATOM 258 N GLU A 25 26.882 -27.241 -1.845 1.00 1.18 N ATOM 259 CA GLU A 25 28.200 -27.859 -1.777 1.00 1.40 C ATOM 260 C GLU A 25 28.553 -28.226 -0.340 1.00 1.37 C ATOM 261 O GLU A 25 29.064 -29.313 -0.076 1.00 1.59 O ATOM 262 CB GLU A 25 29.262 -26.921 -2.364 1.00 1.58 C ATOM 263 CG GLU A 25 30.688 -27.442 -2.246 1.00 2.34 C ATOM 264 CD GLU A 25 30.818 -28.914 -2.597 1.00 2.86 C ATOM 265 OE1 GLU A 25 30.195 -29.350 -3.588 1.00 3.26 O ATOM 266 OE2 GLU A 25 31.550 -29.630 -1.881 1.00 3.45 O ATOM 0 H GLU A 25 26.887 -26.276 -2.174 1.00 1.18 H new ATOM 0 HA GLU A 25 28.177 -28.775 -2.368 1.00 1.40 H new ATOM 0 HB2 GLU A 25 29.036 -26.748 -3.416 1.00 1.58 H new ATOM 0 HB3 GLU A 25 29.197 -25.956 -1.861 1.00 1.58 H new ATOM 0 HG2 GLU A 25 31.336 -26.860 -2.902 1.00 2.34 H new ATOM 0 HG3 GLU A 25 31.042 -27.285 -1.227 1.00 2.34 H new ATOM 273 N LYS A 26 28.266 -27.315 0.586 1.00 1.19 N ATOM 274 CA LYS A 26 28.540 -27.551 1.996 1.00 1.29 C ATOM 275 C LYS A 26 27.740 -28.753 2.481 1.00 1.31 C ATOM 276 O LYS A 26 28.295 -29.675 3.075 1.00 1.49 O ATOM 277 CB LYS A 26 28.220 -26.301 2.825 1.00 1.34 C ATOM 278 CG LYS A 26 27.870 -26.584 4.282 1.00 1.63 C ATOM 279 CD LYS A 26 29.019 -27.264 5.020 1.00 2.01 C ATOM 280 CE LYS A 26 30.093 -26.268 5.433 1.00 2.27 C ATOM 281 NZ LYS A 26 31.393 -26.938 5.717 1.00 2.77 N ATOM 0 H LYS A 26 27.844 -26.409 0.383 1.00 1.19 H new ATOM 0 HA LYS A 26 29.601 -27.767 2.122 1.00 1.29 H new ATOM 0 HB2 LYS A 26 29.078 -25.630 2.794 1.00 1.34 H new ATOM 0 HB3 LYS A 26 27.387 -25.775 2.359 1.00 1.34 H new ATOM 0 HG2 LYS A 26 27.619 -25.649 4.783 1.00 1.63 H new ATOM 0 HG3 LYS A 26 26.984 -27.218 4.326 1.00 1.63 H new ATOM 0 HD2 LYS A 26 28.634 -27.771 5.905 1.00 2.01 H new ATOM 0 HD3 LYS A 26 29.459 -28.029 4.381 1.00 2.01 H new ATOM 0 HE2 LYS A 26 30.229 -25.532 4.641 1.00 2.27 H new ATOM 0 HE3 LYS A 26 29.763 -25.725 6.319 1.00 2.27 H new ATOM 0 HZ1 LYS A 26 31.729 -26.658 6.660 1.00 2.77 H new ATOM 0 HZ2 LYS A 26 31.266 -27.970 5.687 1.00 2.77 H new ATOM 0 HZ3 LYS A 26 32.093 -26.655 5.002 1.00 2.77 H new ATOM 295 N LYS A 27 26.438 -28.760 2.200 1.00 1.25 N ATOM 296 CA LYS A 27 25.593 -29.881 2.596 1.00 1.48 C ATOM 297 C LYS A 27 26.177 -31.183 2.052 1.00 1.65 C ATOM 298 O LYS A 27 26.290 -32.176 2.772 1.00 1.84 O ATOM 299 CB LYS A 27 24.161 -29.681 2.084 1.00 1.61 C ATOM 300 CG LYS A 27 23.319 -30.952 2.077 1.00 2.10 C ATOM 301 CD LYS A 27 23.167 -31.536 3.475 1.00 2.50 C ATOM 302 CE LYS A 27 22.241 -32.744 3.486 1.00 3.05 C ATOM 303 NZ LYS A 27 22.488 -33.651 2.330 1.00 3.62 N ATOM 0 H LYS A 27 25.952 -28.012 1.706 1.00 1.25 H new ATOM 0 HA LYS A 27 25.561 -29.933 3.684 1.00 1.48 H new ATOM 0 HB2 LYS A 27 23.666 -28.934 2.704 1.00 1.61 H new ATOM 0 HB3 LYS A 27 24.201 -29.279 1.072 1.00 1.61 H new ATOM 0 HG2 LYS A 27 22.334 -30.733 1.665 1.00 2.10 H new ATOM 0 HG3 LYS A 27 23.781 -31.691 1.422 1.00 2.10 H new ATOM 0 HD2 LYS A 27 24.146 -31.825 3.856 1.00 2.50 H new ATOM 0 HD3 LYS A 27 22.776 -30.772 4.147 1.00 2.50 H new ATOM 0 HE2 LYS A 27 22.378 -33.297 4.415 1.00 3.05 H new ATOM 0 HE3 LYS A 27 21.205 -32.406 3.466 1.00 3.05 H new ATOM 0 HZ1 LYS A 27 21.883 -34.493 2.414 1.00 3.62 H new ATOM 0 HZ2 LYS A 27 22.267 -33.153 1.444 1.00 3.62 H new ATOM 0 HZ3 LYS A 27 23.487 -33.941 2.324 1.00 3.62 H new ATOM 317 N LEU A 28 26.556 -31.166 0.776 1.00 1.65 N ATOM 318 CA LEU A 28 27.140 -32.337 0.131 1.00 1.92 C ATOM 319 C LEU A 28 28.448 -32.719 0.815 1.00 1.96 C ATOM 320 O LEU A 28 28.770 -33.899 0.940 1.00 2.16 O ATOM 321 CB LEU A 28 27.380 -32.054 -1.357 1.00 2.05 C ATOM 322 CG LEU A 28 28.169 -33.132 -2.113 1.00 2.51 C ATOM 323 CD1 LEU A 28 27.539 -33.401 -3.473 1.00 3.19 C ATOM 324 CD2 LEU A 28 29.628 -32.723 -2.272 1.00 2.78 C ATOM 0 H LEU A 28 26.468 -30.352 0.168 1.00 1.65 H new ATOM 0 HA LEU A 28 26.444 -33.171 0.221 1.00 1.92 H new ATOM 0 HB2 LEU A 28 26.414 -31.925 -1.845 1.00 2.05 H new ATOM 0 HB3 LEU A 28 27.912 -31.107 -1.448 1.00 2.05 H new ATOM 0 HG LEU A 28 28.134 -34.051 -1.528 1.00 2.51 H new ATOM 0 HD11 LEU A 28 28.112 -34.168 -3.994 1.00 3.19 H new ATOM 0 HD12 LEU A 28 26.513 -33.744 -3.337 1.00 3.19 H new ATOM 0 HD13 LEU A 28 27.540 -32.484 -4.062 1.00 3.19 H new ATOM 0 HD21 LEU A 28 30.168 -33.502 -2.811 1.00 2.78 H new ATOM 0 HD22 LEU A 28 29.685 -31.789 -2.831 1.00 2.78 H new ATOM 0 HD23 LEU A 28 30.076 -32.585 -1.288 1.00 2.78 H new ATOM 336 N LEU A 29 29.192 -31.711 1.266 1.00 1.84 N ATOM 337 CA LEU A 29 30.456 -31.946 1.951 1.00 2.00 C ATOM 338 C LEU A 29 30.222 -32.807 3.185 1.00 2.03 C ATOM 339 O LEU A 29 30.835 -33.861 3.344 1.00 2.24 O ATOM 340 CB LEU A 29 31.110 -30.618 2.345 1.00 2.00 C ATOM 341 CG LEU A 29 32.538 -30.726 2.893 1.00 2.43 C ATOM 342 CD1 LEU A 29 33.427 -31.513 1.939 1.00 3.02 C ATOM 343 CD2 LEU A 29 33.115 -29.341 3.150 1.00 3.08 C ATOM 0 H LEU A 29 28.940 -30.727 1.169 1.00 1.84 H new ATOM 0 HA LEU A 29 31.130 -32.471 1.274 1.00 2.00 H new ATOM 0 HB2 LEU A 29 31.122 -29.965 1.472 1.00 2.00 H new ATOM 0 HB3 LEU A 29 30.486 -30.134 3.096 1.00 2.00 H new ATOM 0 HG LEU A 29 32.501 -31.265 3.840 1.00 2.43 H new ATOM 0 HD11 LEU A 29 34.435 -31.576 2.349 1.00 3.02 H new ATOM 0 HD12 LEU A 29 33.024 -32.518 1.811 1.00 3.02 H new ATOM 0 HD13 LEU A 29 33.460 -31.009 0.973 1.00 3.02 H new ATOM 0 HD21 LEU A 29 34.129 -29.436 3.539 1.00 3.08 H new ATOM 0 HD22 LEU A 29 33.135 -28.776 2.218 1.00 3.08 H new ATOM 0 HD23 LEU A 29 32.495 -28.818 3.878 1.00 3.08 H new ATOM 355 N VAL A 30 29.309 -32.364 4.048 1.00 1.90 N ATOM 356 CA VAL A 30 28.984 -33.114 5.255 1.00 2.05 C ATOM 357 C VAL A 30 28.517 -34.515 4.880 1.00 2.27 C ATOM 358 O VAL A 30 28.838 -35.497 5.552 1.00 2.48 O ATOM 359 CB VAL A 30 27.885 -32.416 6.084 1.00 2.03 C ATOM 360 CG1 VAL A 30 27.814 -33.008 7.485 1.00 2.35 C ATOM 361 CG2 VAL A 30 28.127 -30.913 6.144 1.00 2.26 C ATOM 0 H VAL A 30 28.786 -31.496 3.933 1.00 1.90 H new ATOM 0 HA VAL A 30 29.886 -33.168 5.864 1.00 2.05 H new ATOM 0 HB VAL A 30 26.927 -32.585 5.593 1.00 2.03 H new ATOM 0 HG11 VAL A 30 27.034 -32.503 8.054 1.00 2.35 H new ATOM 0 HG12 VAL A 30 27.585 -34.072 7.419 1.00 2.35 H new ATOM 0 HG13 VAL A 30 28.773 -32.874 7.986 1.00 2.35 H new ATOM 0 HG21 VAL A 30 27.341 -30.441 6.733 1.00 2.26 H new ATOM 0 HG22 VAL A 30 29.094 -30.718 6.608 1.00 2.26 H new ATOM 0 HG23 VAL A 30 28.120 -30.503 5.134 1.00 2.26 H new ATOM 371 N SER A 31 27.767 -34.587 3.785 1.00 2.30 N ATOM 372 CA SER A 31 27.255 -35.851 3.279 1.00 2.61 C ATOM 373 C SER A 31 28.402 -36.737 2.795 1.00 2.74 C ATOM 374 O SER A 31 28.329 -37.962 2.873 1.00 3.01 O ATOM 375 CB SER A 31 26.273 -35.587 2.133 1.00 2.70 C ATOM 376 OG SER A 31 25.197 -34.770 2.563 1.00 2.71 O ATOM 0 H SER A 31 27.500 -33.775 3.228 1.00 2.30 H new ATOM 0 HA SER A 31 26.736 -36.370 4.085 1.00 2.61 H new ATOM 0 HB2 SER A 31 26.794 -35.103 1.307 1.00 2.70 H new ATOM 0 HB3 SER A 31 25.887 -36.534 1.755 1.00 2.70 H new ATOM 0 HG SER A 31 25.503 -33.843 2.645 1.00 2.71 H new ATOM 382 N SER A 32 29.458 -36.096 2.299 1.00 2.63 N ATOM 383 CA SER A 32 30.635 -36.803 1.799 1.00 2.85 C ATOM 384 C SER A 32 31.573 -37.200 2.937 1.00 2.93 C ATOM 385 O SER A 32 32.295 -38.193 2.841 1.00 3.19 O ATOM 386 CB SER A 32 31.382 -35.933 0.786 1.00 2.84 C ATOM 387 OG SER A 32 32.421 -36.663 0.152 1.00 3.16 O ATOM 0 H SER A 32 29.522 -35.080 2.232 1.00 2.63 H new ATOM 0 HA SER A 32 30.293 -37.715 1.310 1.00 2.85 H new ATOM 0 HB2 SER A 32 30.684 -35.563 0.036 1.00 2.84 H new ATOM 0 HB3 SER A 32 31.801 -35.062 1.289 1.00 2.84 H new ATOM 0 HG SER A 32 32.882 -36.085 -0.491 1.00 3.16 H new ATOM 393 N GLU A 33 31.578 -36.402 4.002 1.00 2.79 N ATOM 394 CA GLU A 33 32.437 -36.658 5.153 1.00 2.95 C ATOM 395 C GLU A 33 32.092 -37.984 5.831 1.00 3.13 C ATOM 396 O GLU A 33 32.957 -38.845 5.984 1.00 3.53 O ATOM 397 CB GLU A 33 32.325 -35.512 6.163 1.00 3.57 C ATOM 398 CG GLU A 33 33.044 -34.244 5.729 1.00 3.89 C ATOM 399 CD GLU A 33 33.130 -34.108 4.223 1.00 3.97 C ATOM 400 OE1 GLU A 33 32.106 -33.763 3.599 1.00 4.15 O ATOM 401 OE2 GLU A 33 34.222 -34.348 3.663 1.00 4.37 O ATOM 0 H GLU A 33 30.994 -35.570 4.091 1.00 2.79 H new ATOM 0 HA GLU A 33 33.463 -36.723 4.790 1.00 2.95 H new ATOM 0 HB2 GLU A 33 31.272 -35.284 6.326 1.00 3.57 H new ATOM 0 HB3 GLU A 33 32.732 -35.841 7.119 1.00 3.57 H new ATOM 0 HG2 GLU A 33 32.524 -33.378 6.139 1.00 3.89 H new ATOM 0 HG3 GLU A 33 34.050 -34.240 6.148 1.00 3.89 H new ATOM 540 N GLN A 43 43.051 -39.965 10.248 1.00 3.28 N ATOM 541 CA GLN A 43 43.688 -39.331 9.100 1.00 3.01 C ATOM 542 C GLN A 43 42.646 -38.993 8.046 1.00 2.82 C ATOM 543 O GLN A 43 42.733 -37.966 7.372 1.00 2.61 O ATOM 544 CB GLN A 43 44.750 -40.256 8.503 1.00 3.07 C ATOM 545 CG GLN A 43 45.421 -39.702 7.253 1.00 3.47 C ATOM 546 CD GLN A 43 44.598 -39.923 5.996 1.00 3.77 C ATOM 547 OE1 GLN A 43 43.983 -41.095 5.884 1.00 4.06 O flip ATOM 548 NE2 GLN A 43 44.515 -39.049 5.133 1.00 4.24 N flip ATOM 0 HA GLN A 43 44.170 -38.412 9.433 1.00 3.01 H new ATOM 0 HB2 GLN A 43 45.513 -40.451 9.257 1.00 3.07 H new ATOM 0 HB3 GLN A 43 44.289 -41.214 8.261 1.00 3.07 H new ATOM 0 HG2 GLN A 43 45.597 -38.634 7.384 1.00 3.47 H new ATOM 0 HG3 GLN A 43 46.396 -40.173 7.131 1.00 3.47 H new ATOM 0 HE21 GLN A 43 45.003 -38.162 5.257 1.00 4.24 H new ATOM 0 HE22 GLN A 43 43.958 -39.212 4.294 1.00 4.24 H new ATOM 557 N ASN A 44 41.661 -39.872 7.912 1.00 2.97 N ATOM 558 CA ASN A 44 40.592 -39.681 6.944 1.00 2.93 C ATOM 559 C ASN A 44 39.835 -38.389 7.230 1.00 2.82 C ATOM 560 O ASN A 44 39.649 -37.559 6.339 1.00 2.66 O ATOM 561 CB ASN A 44 39.632 -40.876 6.967 1.00 3.26 C ATOM 562 CG ASN A 44 38.344 -40.605 6.216 1.00 3.37 C ATOM 563 OD1 ASN A 44 38.300 -40.675 4.988 1.00 3.42 O ATOM 564 ND2 ASN A 44 37.286 -40.290 6.954 1.00 3.83 N ATOM 0 H ASN A 44 41.582 -40.726 8.464 1.00 2.97 H new ATOM 0 HA ASN A 44 41.036 -39.609 5.951 1.00 2.93 H new ATOM 0 HB2 ASN A 44 40.127 -41.743 6.530 1.00 3.26 H new ATOM 0 HB3 ASN A 44 39.399 -41.130 8.001 1.00 3.26 H new ATOM 0 HD21 ASN A 44 36.391 -40.094 6.505 1.00 3.83 H new ATOM 0 HD22 ASN A 44 37.368 -40.244 7.970 1.00 3.83 H new ATOM 571 N LEU A 45 39.408 -38.217 8.479 1.00 3.00 N ATOM 572 CA LEU A 45 38.682 -37.018 8.871 1.00 3.01 C ATOM 573 C LEU A 45 39.543 -35.785 8.631 1.00 2.73 C ATOM 574 O LEU A 45 39.100 -34.818 8.017 1.00 2.57 O ATOM 575 CB LEU A 45 38.264 -37.092 10.344 1.00 3.36 C ATOM 576 CG LEU A 45 37.188 -38.137 10.661 1.00 3.84 C ATOM 577 CD1 LEU A 45 37.099 -38.371 12.162 1.00 4.27 C ATOM 578 CD2 LEU A 45 35.838 -37.704 10.102 1.00 4.23 C ATOM 0 H LEU A 45 39.553 -38.891 9.231 1.00 3.00 H new ATOM 0 HA LEU A 45 37.780 -36.947 8.263 1.00 3.01 H new ATOM 0 HB2 LEU A 45 39.147 -37.307 10.946 1.00 3.36 H new ATOM 0 HB3 LEU A 45 37.899 -36.112 10.652 1.00 3.36 H new ATOM 0 HG LEU A 45 37.468 -39.076 10.184 1.00 3.84 H new ATOM 0 HD11 LEU A 45 36.330 -39.116 12.369 1.00 4.27 H new ATOM 0 HD12 LEU A 45 38.060 -38.729 12.532 1.00 4.27 H new ATOM 0 HD13 LEU A 45 36.843 -37.437 12.661 1.00 4.27 H new ATOM 0 HD21 LEU A 45 35.088 -38.459 10.337 1.00 4.23 H new ATOM 0 HD22 LEU A 45 35.548 -36.753 10.548 1.00 4.23 H new ATOM 0 HD23 LEU A 45 35.912 -37.590 9.020 1.00 4.23 H new ATOM 590 N ARG A 46 40.784 -35.835 9.109 1.00 2.73 N ATOM 591 CA ARG A 46 41.714 -34.726 8.939 1.00 2.59 C ATOM 592 C ARG A 46 41.794 -34.312 7.472 1.00 2.28 C ATOM 593 O ARG A 46 41.810 -33.121 7.154 1.00 2.17 O ATOM 594 CB ARG A 46 43.105 -35.112 9.452 1.00 2.76 C ATOM 595 CG ARG A 46 43.412 -34.578 10.844 1.00 2.97 C ATOM 596 CD ARG A 46 43.203 -35.641 11.914 1.00 3.51 C ATOM 597 NE ARG A 46 41.785 -35.895 12.163 1.00 4.06 N ATOM 598 CZ ARG A 46 41.204 -35.797 13.359 1.00 4.80 C ATOM 599 NH1 ARG A 46 41.917 -35.479 14.432 1.00 5.15 N ATOM 600 NH2 ARG A 46 39.906 -36.022 13.485 1.00 5.49 N ATOM 0 H ARG A 46 41.167 -36.632 9.617 1.00 2.73 H new ATOM 0 HA ARG A 46 41.347 -33.880 9.520 1.00 2.59 H new ATOM 0 HB2 ARG A 46 43.191 -36.199 9.462 1.00 2.76 H new ATOM 0 HB3 ARG A 46 43.856 -34.739 8.755 1.00 2.76 H new ATOM 0 HG2 ARG A 46 44.442 -34.224 10.879 1.00 2.97 H new ATOM 0 HG3 ARG A 46 42.773 -33.720 11.054 1.00 2.97 H new ATOM 0 HD2 ARG A 46 43.689 -36.567 11.605 1.00 3.51 H new ATOM 0 HD3 ARG A 46 43.683 -35.323 12.840 1.00 3.51 H new ATOM 0 HE ARG A 46 41.202 -36.165 11.370 1.00 4.06 H new ATOM 0 HH11 ARG A 46 42.919 -35.307 14.346 1.00 5.15 H new ATOM 0 HH12 ARG A 46 41.463 -35.406 15.343 1.00 5.15 H new ATOM 0 HH21 ARG A 46 39.350 -36.271 12.667 1.00 5.49 H new ATOM 0 HH22 ARG A 46 39.462 -35.947 14.400 1.00 5.49 H new ATOM 614 N LYS A 47 41.843 -35.300 6.581 1.00 2.24 N ATOM 615 CA LYS A 47 41.918 -35.030 5.151 1.00 2.12 C ATOM 616 C LYS A 47 40.687 -34.249 4.696 1.00 2.02 C ATOM 617 O LYS A 47 40.804 -33.243 3.996 1.00 1.89 O ATOM 618 CB LYS A 47 42.072 -36.345 4.366 1.00 2.32 C ATOM 619 CG LYS A 47 40.949 -36.628 3.375 1.00 2.70 C ATOM 620 CD LYS A 47 41.147 -37.960 2.666 1.00 3.12 C ATOM 621 CE LYS A 47 42.439 -37.989 1.859 1.00 3.66 C ATOM 622 NZ LYS A 47 42.612 -36.761 1.035 1.00 4.30 N ATOM 0 H LYS A 47 41.832 -36.290 6.825 1.00 2.24 H new ATOM 0 HA LYS A 47 42.797 -34.417 4.950 1.00 2.12 H new ATOM 0 HB2 LYS A 47 43.018 -36.321 3.826 1.00 2.32 H new ATOM 0 HB3 LYS A 47 42.130 -37.171 5.075 1.00 2.32 H new ATOM 0 HG2 LYS A 47 39.993 -36.633 3.899 1.00 2.70 H new ATOM 0 HG3 LYS A 47 40.904 -35.826 2.638 1.00 2.70 H new ATOM 0 HD2 LYS A 47 41.161 -38.764 3.402 1.00 3.12 H new ATOM 0 HD3 LYS A 47 40.302 -38.148 2.004 1.00 3.12 H new ATOM 0 HE2 LYS A 47 43.287 -38.093 2.536 1.00 3.66 H new ATOM 0 HE3 LYS A 47 42.441 -38.864 1.209 1.00 3.66 H new ATOM 0 HZ1 LYS A 47 43.386 -36.905 0.356 1.00 4.30 H new ATOM 0 HZ2 LYS A 47 41.731 -36.562 0.519 1.00 4.30 H new ATOM 0 HZ3 LYS A 47 42.840 -35.957 1.654 1.00 4.30 H new ATOM 636 N LYS A 48 39.513 -34.701 5.124 1.00 2.17 N ATOM 637 CA LYS A 48 38.268 -34.026 4.780 1.00 2.20 C ATOM 638 C LYS A 48 38.288 -32.600 5.320 1.00 2.02 C ATOM 639 O LYS A 48 37.945 -31.650 4.616 1.00 1.90 O ATOM 640 CB LYS A 48 37.071 -34.795 5.346 1.00 2.54 C ATOM 641 CG LYS A 48 36.756 -36.076 4.584 1.00 3.02 C ATOM 642 CD LYS A 48 36.142 -37.133 5.490 1.00 3.19 C ATOM 643 CE LYS A 48 35.801 -38.404 4.724 1.00 3.73 C ATOM 644 NZ LYS A 48 34.897 -38.138 3.570 1.00 4.17 N ATOM 0 H LYS A 48 39.398 -35.529 5.708 1.00 2.17 H new ATOM 0 HA LYS A 48 38.171 -33.992 3.695 1.00 2.20 H new ATOM 0 HB2 LYS A 48 37.268 -35.041 6.389 1.00 2.54 H new ATOM 0 HB3 LYS A 48 36.194 -34.148 5.331 1.00 2.54 H new ATOM 0 HG2 LYS A 48 36.070 -35.854 3.767 1.00 3.02 H new ATOM 0 HG3 LYS A 48 37.669 -36.467 4.136 1.00 3.02 H new ATOM 0 HD2 LYS A 48 36.837 -37.369 6.296 1.00 3.19 H new ATOM 0 HD3 LYS A 48 35.240 -36.735 5.954 1.00 3.19 H new ATOM 0 HE2 LYS A 48 36.720 -38.868 4.365 1.00 3.73 H new ATOM 0 HE3 LYS A 48 35.327 -39.117 5.398 1.00 3.73 H new ATOM 0 HZ1 LYS A 48 33.966 -38.563 3.754 1.00 4.17 H new ATOM 0 HZ2 LYS A 48 34.790 -37.111 3.442 1.00 4.17 H new ATOM 0 HZ3 LYS A 48 35.303 -38.554 2.708 1.00 4.17 H new ATOM 658 N HIS A 49 38.714 -32.462 6.574 1.00 2.10 N ATOM 659 CA HIS A 49 38.799 -31.159 7.222 1.00 2.10 C ATOM 660 C HIS A 49 39.548 -30.165 6.339 1.00 1.82 C ATOM 661 O HIS A 49 39.073 -29.057 6.101 1.00 1.72 O ATOM 662 CB HIS A 49 39.501 -31.277 8.582 1.00 2.37 C ATOM 663 CG HIS A 49 39.087 -30.229 9.571 1.00 2.66 C ATOM 664 ND1 HIS A 49 39.754 -29.985 10.751 1.00 2.97 N ATOM 665 CD2 HIS A 49 38.053 -29.346 9.538 1.00 3.22 C ATOM 666 CE1 HIS A 49 39.121 -28.988 11.384 1.00 3.47 C ATOM 667 NE2 HIS A 49 38.083 -28.565 10.689 1.00 3.60 N ATOM 0 H HIS A 49 39.007 -33.242 7.162 1.00 2.10 H new ATOM 0 HA HIS A 49 37.784 -30.795 7.379 1.00 2.10 H new ATOM 0 HB2 HIS A 49 39.295 -32.261 9.002 1.00 2.37 H new ATOM 0 HB3 HIS A 49 40.579 -31.215 8.431 1.00 2.37 H new ATOM 0 HD2 HIS A 49 37.325 -29.264 8.745 1.00 3.22 H new ATOM 0 HE1 HIS A 49 39.422 -28.583 12.339 1.00 3.47 H new ATOM 0 HE2 HIS A 49 37.436 -27.819 10.943 1.00 3.60 H new ATOM 675 N LYS A 50 40.724 -30.568 5.858 1.00 1.76 N ATOM 676 CA LYS A 50 41.530 -29.705 4.999 1.00 1.67 C ATOM 677 C LYS A 50 40.687 -29.141 3.860 1.00 1.49 C ATOM 678 O LYS A 50 40.683 -27.935 3.613 1.00 1.46 O ATOM 679 CB LYS A 50 42.728 -30.475 4.437 1.00 1.79 C ATOM 680 CG LYS A 50 43.747 -30.874 5.494 1.00 2.13 C ATOM 681 CD LYS A 50 44.505 -29.667 6.033 1.00 2.64 C ATOM 682 CE LYS A 50 44.578 -29.682 7.552 1.00 3.07 C ATOM 683 NZ LYS A 50 43.235 -29.532 8.176 1.00 3.17 N ATOM 0 H LYS A 50 41.137 -31.481 6.048 1.00 1.76 H new ATOM 0 HA LYS A 50 41.899 -28.875 5.601 1.00 1.67 H new ATOM 0 HB2 LYS A 50 42.368 -31.373 3.934 1.00 1.79 H new ATOM 0 HB3 LYS A 50 43.221 -29.862 3.682 1.00 1.79 H new ATOM 0 HG2 LYS A 50 43.240 -31.381 6.315 1.00 2.13 H new ATOM 0 HG3 LYS A 50 44.453 -31.586 5.067 1.00 2.13 H new ATOM 0 HD2 LYS A 50 45.514 -29.657 5.620 1.00 2.64 H new ATOM 0 HD3 LYS A 50 44.015 -28.752 5.701 1.00 2.64 H new ATOM 0 HE2 LYS A 50 45.030 -30.617 7.884 1.00 3.07 H new ATOM 0 HE3 LYS A 50 45.228 -28.876 7.892 1.00 3.07 H new ATOM 0 HZ1 LYS A 50 43.341 -29.163 9.142 1.00 3.17 H new ATOM 0 HZ2 LYS A 50 42.663 -28.871 7.613 1.00 3.17 H new ATOM 0 HZ3 LYS A 50 42.762 -30.458 8.209 1.00 3.17 H new ATOM 697 N ARG A 51 39.959 -30.021 3.177 1.00 1.50 N ATOM 698 CA ARG A 51 39.099 -29.601 2.075 1.00 1.50 C ATOM 699 C ARG A 51 38.069 -28.592 2.570 1.00 1.38 C ATOM 700 O ARG A 51 37.764 -27.611 1.891 1.00 1.27 O ATOM 701 CB ARG A 51 38.400 -30.811 1.449 1.00 1.77 C ATOM 702 CG ARG A 51 38.273 -30.727 -0.067 1.00 2.17 C ATOM 703 CD ARG A 51 36.846 -30.979 -0.529 1.00 2.52 C ATOM 704 NE ARG A 51 35.944 -29.894 -0.149 1.00 2.87 N ATOM 705 CZ ARG A 51 34.682 -29.806 -0.559 1.00 3.47 C ATOM 706 NH1 ARG A 51 34.173 -30.737 -1.354 1.00 4.13 N ATOM 707 NH2 ARG A 51 33.924 -28.791 -0.173 1.00 3.79 N ATOM 0 H ARG A 51 39.947 -31.023 3.366 1.00 1.50 H new ATOM 0 HA ARG A 51 39.717 -29.128 1.312 1.00 1.50 H new ATOM 0 HB2 ARG A 51 38.953 -31.714 1.709 1.00 1.77 H new ATOM 0 HB3 ARG A 51 37.405 -30.910 1.883 1.00 1.77 H new ATOM 0 HG2 ARG A 51 38.596 -29.742 -0.405 1.00 2.17 H new ATOM 0 HG3 ARG A 51 38.939 -31.456 -0.529 1.00 2.17 H new ATOM 0 HD2 ARG A 51 36.832 -31.098 -1.612 1.00 2.52 H new ATOM 0 HD3 ARG A 51 36.487 -31.915 -0.101 1.00 2.52 H new ATOM 0 HE ARG A 51 36.303 -29.163 0.465 1.00 2.87 H new ATOM 0 HH11 ARG A 51 34.750 -31.523 -1.653 1.00 4.13 H new ATOM 0 HH12 ARG A 51 33.205 -30.667 -1.667 1.00 4.13 H new ATOM 0 HH21 ARG A 51 34.308 -28.073 0.441 1.00 3.79 H new ATOM 0 HH22 ARG A 51 32.957 -28.728 -0.490 1.00 3.79 H new ATOM 721 N LEU A 52 37.548 -28.840 3.768 1.00 1.51 N ATOM 722 CA LEU A 52 36.565 -27.954 4.377 1.00 1.55 C ATOM 723 C LEU A 52 37.153 -26.559 4.556 1.00 1.33 C ATOM 724 O LEU A 52 36.571 -25.570 4.123 1.00 1.22 O ATOM 725 CB LEU A 52 36.113 -28.513 5.730 1.00 1.88 C ATOM 726 CG LEU A 52 34.741 -28.030 6.215 1.00 2.21 C ATOM 727 CD1 LEU A 52 34.181 -28.986 7.261 1.00 2.90 C ATOM 728 CD2 LEU A 52 34.835 -26.616 6.775 1.00 2.58 C ATOM 0 H LEU A 52 37.792 -29.651 4.337 1.00 1.51 H new ATOM 0 HA LEU A 52 35.699 -27.888 3.718 1.00 1.55 H new ATOM 0 HB2 LEU A 52 36.095 -29.601 5.667 1.00 1.88 H new ATOM 0 HB3 LEU A 52 36.858 -28.249 6.480 1.00 1.88 H new ATOM 0 HG LEU A 52 34.061 -28.013 5.363 1.00 2.21 H new ATOM 0 HD11 LEU A 52 33.207 -28.629 7.595 1.00 2.90 H new ATOM 0 HD12 LEU A 52 34.074 -29.980 6.826 1.00 2.90 H new ATOM 0 HD13 LEU A 52 34.861 -29.034 8.111 1.00 2.90 H new ATOM 0 HD21 LEU A 52 33.851 -26.293 7.113 1.00 2.58 H new ATOM 0 HD22 LEU A 52 35.530 -26.603 7.615 1.00 2.58 H new ATOM 0 HD23 LEU A 52 35.192 -25.940 5.998 1.00 2.58 H new ATOM 740 N GLU A 53 38.321 -26.493 5.191 1.00 1.38 N ATOM 741 CA GLU A 53 39.000 -25.223 5.427 1.00 1.39 C ATOM 742 C GLU A 53 39.078 -24.399 4.145 1.00 1.16 C ATOM 743 O GLU A 53 38.810 -23.199 4.153 1.00 1.13 O ATOM 744 CB GLU A 53 40.404 -25.465 5.987 1.00 1.66 C ATOM 745 CG GLU A 53 40.412 -25.949 7.430 1.00 2.20 C ATOM 746 CD GLU A 53 39.486 -25.145 8.324 1.00 2.62 C ATOM 747 OE1 GLU A 53 38.282 -25.053 8.004 1.00 3.17 O ATOM 748 OE2 GLU A 53 39.961 -24.612 9.349 1.00 3.08 O ATOM 0 H GLU A 53 38.818 -27.308 5.552 1.00 1.38 H new ATOM 0 HA GLU A 53 38.421 -24.661 6.159 1.00 1.39 H new ATOM 0 HB2 GLU A 53 40.912 -26.200 5.364 1.00 1.66 H new ATOM 0 HB3 GLU A 53 40.977 -24.540 5.920 1.00 1.66 H new ATOM 0 HG2 GLU A 53 40.117 -26.998 7.458 1.00 2.20 H new ATOM 0 HG3 GLU A 53 41.428 -25.893 7.822 1.00 2.20 H new ATOM 755 N ALA A 54 39.434 -25.051 3.040 1.00 1.13 N ATOM 756 CA ALA A 54 39.525 -24.368 1.756 1.00 1.16 C ATOM 757 C ALA A 54 38.165 -23.793 1.366 1.00 0.99 C ATOM 758 O ALA A 54 38.025 -22.590 1.138 1.00 1.03 O ATOM 759 CB ALA A 54 40.034 -25.320 0.683 1.00 1.35 C ATOM 0 H ALA A 54 39.662 -26.045 3.010 1.00 1.13 H new ATOM 0 HA ALA A 54 40.234 -23.545 1.847 1.00 1.16 H new ATOM 0 HB1 ALA A 54 40.096 -24.794 -0.270 1.00 1.35 H new ATOM 0 HB2 ALA A 54 41.022 -25.686 0.961 1.00 1.35 H new ATOM 0 HB3 ALA A 54 39.348 -26.162 0.589 1.00 1.35 H new ATOM 765 N GLU A 55 37.161 -24.666 1.313 1.00 0.99 N ATOM 766 CA GLU A 55 35.800 -24.260 0.972 1.00 1.06 C ATOM 767 C GLU A 55 35.336 -23.123 1.879 1.00 0.88 C ATOM 768 O GLU A 55 34.667 -22.189 1.439 1.00 0.90 O ATOM 769 CB GLU A 55 34.855 -25.461 1.097 1.00 1.35 C ATOM 770 CG GLU A 55 33.394 -25.092 1.326 1.00 1.84 C ATOM 771 CD GLU A 55 33.039 -24.987 2.798 1.00 1.93 C ATOM 772 OE1 GLU A 55 33.193 -25.994 3.523 1.00 2.20 O ATOM 773 OE2 GLU A 55 32.596 -23.901 3.227 1.00 2.60 O ATOM 0 H GLU A 55 37.266 -25.663 1.503 1.00 0.99 H new ATOM 0 HA GLU A 55 35.787 -23.902 -0.057 1.00 1.06 H new ATOM 0 HB2 GLU A 55 34.928 -26.061 0.190 1.00 1.35 H new ATOM 0 HB3 GLU A 55 35.192 -26.089 1.922 1.00 1.35 H new ATOM 0 HG2 GLU A 55 33.183 -24.141 0.837 1.00 1.84 H new ATOM 0 HG3 GLU A 55 32.757 -25.841 0.855 1.00 1.84 H new ATOM 780 N LEU A 56 35.695 -23.217 3.153 1.00 0.90 N ATOM 781 CA LEU A 56 35.327 -22.213 4.135 1.00 0.98 C ATOM 782 C LEU A 56 35.932 -20.857 3.778 1.00 0.91 C ATOM 783 O LEU A 56 35.238 -19.839 3.745 1.00 0.99 O ATOM 784 CB LEU A 56 35.792 -22.662 5.529 1.00 1.26 C ATOM 785 CG LEU A 56 36.093 -21.541 6.537 1.00 2.02 C ATOM 786 CD1 LEU A 56 34.810 -21.016 7.164 1.00 2.67 C ATOM 787 CD2 LEU A 56 37.049 -22.036 7.613 1.00 2.55 C ATOM 0 H LEU A 56 36.246 -23.988 3.530 1.00 0.90 H new ATOM 0 HA LEU A 56 34.242 -22.104 4.138 1.00 0.98 H new ATOM 0 HB2 LEU A 56 35.025 -23.309 5.955 1.00 1.26 H new ATOM 0 HB3 LEU A 56 36.690 -23.268 5.412 1.00 1.26 H new ATOM 0 HG LEU A 56 36.569 -20.720 6.001 1.00 2.02 H new ATOM 0 HD11 LEU A 56 35.049 -20.224 7.873 1.00 2.67 H new ATOM 0 HD12 LEU A 56 34.159 -20.620 6.384 1.00 2.67 H new ATOM 0 HD13 LEU A 56 34.301 -21.827 7.684 1.00 2.67 H new ATOM 0 HD21 LEU A 56 37.252 -21.230 8.318 1.00 2.55 H new ATOM 0 HD22 LEU A 56 36.598 -22.876 8.141 1.00 2.55 H new ATOM 0 HD23 LEU A 56 37.983 -22.357 7.151 1.00 2.55 H new ATOM 799 N ALA A 57 37.233 -20.857 3.513 1.00 0.92 N ATOM 800 CA ALA A 57 37.950 -19.637 3.163 1.00 1.14 C ATOM 801 C ALA A 57 37.439 -19.030 1.860 1.00 1.08 C ATOM 802 O ALA A 57 37.547 -17.825 1.650 1.00 1.22 O ATOM 803 CB ALA A 57 39.441 -19.918 3.066 1.00 1.37 C ATOM 0 H ALA A 57 37.816 -21.694 3.534 1.00 0.92 H new ATOM 0 HA ALA A 57 37.770 -18.909 3.954 1.00 1.14 H new ATOM 0 HB1 ALA A 57 39.968 -19.000 2.804 1.00 1.37 H new ATOM 0 HB2 ALA A 57 39.805 -20.284 4.026 1.00 1.37 H new ATOM 0 HB3 ALA A 57 39.620 -20.671 2.299 1.00 1.37 H new ATOM 809 N ALA A 58 36.910 -19.868 0.977 1.00 1.03 N ATOM 810 CA ALA A 58 36.407 -19.406 -0.314 1.00 1.19 C ATOM 811 C ALA A 58 35.049 -18.718 -0.206 1.00 1.03 C ATOM 812 O ALA A 58 34.799 -17.736 -0.908 1.00 1.17 O ATOM 813 CB ALA A 58 36.326 -20.572 -1.287 1.00 1.43 C ATOM 0 H ALA A 58 36.817 -20.872 1.130 1.00 1.03 H new ATOM 0 HA ALA A 58 37.112 -18.662 -0.685 1.00 1.19 H new ATOM 0 HB1 ALA A 58 35.950 -20.219 -2.247 1.00 1.43 H new ATOM 0 HB2 ALA A 58 37.318 -21.003 -1.422 1.00 1.43 H new ATOM 0 HB3 ALA A 58 35.652 -21.331 -0.890 1.00 1.43 H new ATOM 819 N HIS A 59 34.160 -19.231 0.646 1.00 0.87 N ATOM 820 CA HIS A 59 32.836 -18.639 0.777 1.00 0.90 C ATOM 821 C HIS A 59 32.853 -17.341 1.571 1.00 0.80 C ATOM 822 O HIS A 59 31.945 -16.531 1.431 1.00 0.89 O ATOM 823 CB HIS A 59 31.830 -19.633 1.353 1.00 1.13 C ATOM 824 CG HIS A 59 31.878 -19.840 2.835 1.00 1.46 C ATOM 825 ND1 HIS A 59 32.727 -20.736 3.431 1.00 2.16 N ATOM 826 CD2 HIS A 59 31.123 -19.312 3.841 1.00 1.68 C ATOM 827 CE1 HIS A 59 32.474 -20.737 4.744 1.00 2.61 C ATOM 828 NE2 HIS A 59 31.513 -19.890 5.047 1.00 2.36 N ATOM 0 H HIS A 59 34.331 -20.040 1.244 1.00 0.87 H new ATOM 0 HA HIS A 59 32.510 -18.384 -0.231 1.00 0.90 H new ATOM 0 HB2 HIS A 59 30.827 -19.299 1.086 1.00 1.13 H new ATOM 0 HB3 HIS A 59 31.984 -20.597 0.868 1.00 1.13 H new ATOM 0 HD1 HIS A 59 33.429 -21.303 2.956 1.00 2.16 H new ATOM 0 HD2 HIS A 59 30.350 -18.568 3.722 1.00 1.68 H new ATOM 0 HE1 HIS A 59 32.992 -21.354 5.464 1.00 2.61 H new ATOM 836 N GLU A 60 33.883 -17.111 2.380 1.00 0.87 N ATOM 837 CA GLU A 60 33.954 -15.860 3.124 1.00 1.09 C ATOM 838 C GLU A 60 33.996 -14.704 2.121 1.00 1.11 C ATOM 839 O GLU A 60 33.088 -13.872 2.084 1.00 1.12 O ATOM 840 CB GLU A 60 35.175 -15.838 4.054 1.00 1.39 C ATOM 841 CG GLU A 60 34.823 -15.931 5.530 1.00 1.92 C ATOM 842 CD GLU A 60 34.473 -17.344 5.958 1.00 2.39 C ATOM 843 OE1 GLU A 60 33.438 -17.865 5.494 1.00 2.70 O ATOM 844 OE2 GLU A 60 35.231 -17.928 6.760 1.00 3.01 O ATOM 0 H GLU A 60 34.659 -17.755 2.534 1.00 0.87 H new ATOM 0 HA GLU A 60 33.075 -15.759 3.760 1.00 1.09 H new ATOM 0 HB2 GLU A 60 35.833 -16.667 3.794 1.00 1.39 H new ATOM 0 HB3 GLU A 60 35.736 -14.919 3.881 1.00 1.39 H new ATOM 0 HG2 GLU A 60 35.664 -15.573 6.124 1.00 1.92 H new ATOM 0 HG3 GLU A 60 33.981 -15.272 5.741 1.00 1.92 H new ATOM 851 N PRO A 61 35.046 -14.646 1.273 1.00 1.23 N ATOM 852 CA PRO A 61 35.176 -13.606 0.247 1.00 1.42 C ATOM 853 C PRO A 61 33.989 -13.613 -0.711 1.00 1.32 C ATOM 854 O PRO A 61 33.498 -12.561 -1.124 1.00 1.44 O ATOM 855 CB PRO A 61 36.455 -14.004 -0.505 1.00 1.60 C ATOM 856 CG PRO A 61 37.220 -14.825 0.464 1.00 1.59 C ATOM 857 CD PRO A 61 36.186 -15.583 1.242 1.00 1.29 C ATOM 0 HA PRO A 61 35.211 -12.605 0.677 1.00 1.42 H new ATOM 0 HB2 PRO A 61 36.224 -14.569 -1.408 1.00 1.60 H new ATOM 0 HB3 PRO A 61 37.022 -13.126 -0.815 1.00 1.60 H new ATOM 0 HG2 PRO A 61 37.903 -15.503 -0.048 1.00 1.59 H new ATOM 0 HG3 PRO A 61 37.825 -14.198 1.120 1.00 1.59 H new ATOM 0 HD2 PRO A 61 35.924 -16.523 0.757 1.00 1.29 H new ATOM 0 HD3 PRO A 61 36.535 -15.829 2.245 1.00 1.29 H new ATOM 865 N ALA A 62 33.540 -14.817 -1.068 1.00 1.18 N ATOM 866 CA ALA A 62 32.416 -14.981 -1.988 1.00 1.22 C ATOM 867 C ALA A 62 31.149 -14.349 -1.433 1.00 1.00 C ATOM 868 O ALA A 62 30.431 -13.649 -2.144 1.00 1.06 O ATOM 869 CB ALA A 62 32.178 -16.455 -2.287 1.00 1.31 C ATOM 0 H ALA A 62 33.939 -15.694 -0.733 1.00 1.18 H new ATOM 0 HA ALA A 62 32.672 -14.469 -2.916 1.00 1.22 H new ATOM 0 HB1 ALA A 62 31.337 -16.556 -2.973 1.00 1.31 H new ATOM 0 HB2 ALA A 62 33.071 -16.883 -2.742 1.00 1.31 H new ATOM 0 HB3 ALA A 62 31.955 -16.983 -1.360 1.00 1.31 H new ATOM 875 N ILE A 63 30.877 -14.605 -0.158 1.00 0.82 N ATOM 876 CA ILE A 63 29.697 -14.060 0.496 1.00 0.73 C ATOM 877 C ILE A 63 29.750 -12.536 0.468 1.00 0.73 C ATOM 878 O ILE A 63 28.826 -11.882 -0.013 1.00 0.73 O ATOM 879 CB ILE A 63 29.579 -14.570 1.958 1.00 0.79 C ATOM 880 CG1 ILE A 63 28.548 -15.703 2.055 1.00 1.08 C ATOM 881 CG2 ILE A 63 29.205 -13.445 2.915 1.00 0.96 C ATOM 882 CD1 ILE A 63 28.896 -16.937 1.246 1.00 0.67 C ATOM 0 H ILE A 63 31.460 -15.188 0.443 1.00 0.82 H new ATOM 0 HA ILE A 63 28.815 -14.400 -0.047 1.00 0.73 H new ATOM 0 HB ILE A 63 30.557 -14.952 2.249 1.00 0.79 H new ATOM 0 HG12 ILE A 63 28.437 -15.989 3.101 1.00 1.08 H new ATOM 0 HG13 ILE A 63 27.580 -15.327 1.723 1.00 1.08 H new ATOM 0 HG21 ILE A 63 29.131 -13.839 3.929 1.00 0.96 H new ATOM 0 HG22 ILE A 63 29.970 -12.670 2.882 1.00 0.96 H new ATOM 0 HG23 ILE A 63 28.245 -13.020 2.620 1.00 0.96 H new ATOM 0 HD11 ILE A 63 28.115 -17.687 1.372 1.00 0.67 H new ATOM 0 HD12 ILE A 63 28.977 -16.670 0.192 1.00 0.67 H new ATOM 0 HD13 ILE A 63 29.847 -17.342 1.592 1.00 0.67 H new ATOM 894 N GLN A 64 30.851 -11.983 0.974 1.00 0.83 N ATOM 895 CA GLN A 64 31.046 -10.536 1.000 1.00 0.95 C ATOM 896 C GLN A 64 30.723 -9.925 -0.362 1.00 0.95 C ATOM 897 O GLN A 64 29.938 -8.980 -0.461 1.00 0.92 O ATOM 898 CB GLN A 64 32.489 -10.203 1.396 1.00 1.17 C ATOM 899 CG GLN A 64 32.718 -8.732 1.710 1.00 1.62 C ATOM 900 CD GLN A 64 34.152 -8.440 2.108 1.00 2.58 C ATOM 901 OE1 GLN A 64 34.532 -8.602 3.267 1.00 3.24 O ATOM 902 NE2 GLN A 64 34.959 -8.006 1.146 1.00 3.27 N ATOM 0 H GLN A 64 31.623 -12.518 1.372 1.00 0.83 H new ATOM 0 HA GLN A 64 30.368 -10.111 1.740 1.00 0.95 H new ATOM 0 HB2 GLN A 64 32.763 -10.797 2.268 1.00 1.17 H new ATOM 0 HB3 GLN A 64 33.155 -10.500 0.586 1.00 1.17 H new ATOM 0 HG2 GLN A 64 32.457 -8.133 0.838 1.00 1.62 H new ATOM 0 HG3 GLN A 64 32.051 -8.428 2.517 1.00 1.62 H new ATOM 0 HE21 GLN A 64 34.603 -7.885 0.198 1.00 3.27 H new ATOM 0 HE22 GLN A 64 35.934 -7.793 1.356 1.00 3.27 H new ATOM 911 N GLY A 65 31.336 -10.473 -1.410 1.00 1.05 N ATOM 912 CA GLY A 65 31.096 -9.976 -2.750 1.00 1.14 C ATOM 913 C GLY A 65 29.619 -9.864 -3.058 1.00 0.94 C ATOM 914 O GLY A 65 29.150 -8.826 -3.523 1.00 0.94 O ATOM 0 H GLY A 65 31.993 -11.251 -1.352 1.00 1.05 H new ATOM 0 HA2 GLY A 65 31.565 -8.999 -2.863 1.00 1.14 H new ATOM 0 HA3 GLY A 65 31.567 -10.641 -3.473 1.00 1.14 H new ATOM 918 N VAL A 66 28.877 -10.932 -2.779 1.00 0.83 N ATOM 919 CA VAL A 66 27.440 -10.938 -3.020 1.00 0.72 C ATOM 920 C VAL A 66 26.773 -9.777 -2.293 1.00 0.59 C ATOM 921 O VAL A 66 26.027 -9.005 -2.893 1.00 0.56 O ATOM 922 CB VAL A 66 26.785 -12.267 -2.571 1.00 0.77 C ATOM 923 CG1 VAL A 66 25.407 -12.430 -3.198 1.00 1.22 C ATOM 924 CG2 VAL A 66 27.680 -13.452 -2.913 1.00 1.46 C ATOM 0 H VAL A 66 29.246 -11.799 -2.388 1.00 0.83 H new ATOM 0 HA VAL A 66 27.295 -10.832 -4.095 1.00 0.72 H new ATOM 0 HB VAL A 66 26.662 -12.236 -1.488 1.00 0.77 H new ATOM 0 HG11 VAL A 66 24.966 -13.371 -2.868 1.00 1.22 H new ATOM 0 HG12 VAL A 66 24.767 -11.602 -2.891 1.00 1.22 H new ATOM 0 HG13 VAL A 66 25.500 -12.434 -4.284 1.00 1.22 H new ATOM 0 HG21 VAL A 66 27.201 -14.376 -2.589 1.00 1.46 H new ATOM 0 HG22 VAL A 66 27.842 -13.486 -3.990 1.00 1.46 H new ATOM 0 HG23 VAL A 66 28.638 -13.343 -2.405 1.00 1.46 H new ATOM 934 N LEU A 67 27.066 -9.645 -1.002 1.00 0.58 N ATOM 935 CA LEU A 67 26.502 -8.563 -0.201 1.00 0.62 C ATOM 936 C LEU A 67 26.795 -7.210 -0.843 1.00 0.69 C ATOM 937 O LEU A 67 25.890 -6.402 -1.040 1.00 0.71 O ATOM 938 CB LEU A 67 27.053 -8.603 1.228 1.00 0.74 C ATOM 939 CG LEU A 67 26.996 -9.974 1.915 1.00 1.29 C ATOM 940 CD1 LEU A 67 27.495 -9.876 3.350 1.00 1.90 C ATOM 941 CD2 LEU A 67 25.582 -10.539 1.877 1.00 2.13 C ATOM 0 H LEU A 67 27.688 -10.271 -0.490 1.00 0.58 H new ATOM 0 HA LEU A 67 25.422 -8.700 -0.159 1.00 0.62 H new ATOM 0 HB2 LEU A 67 28.090 -8.267 1.209 1.00 0.74 H new ATOM 0 HB3 LEU A 67 26.497 -7.888 1.834 1.00 0.74 H new ATOM 0 HG LEU A 67 27.650 -10.655 1.370 1.00 1.29 H new ATOM 0 HD11 LEU A 67 27.447 -10.858 3.820 1.00 1.90 H new ATOM 0 HD12 LEU A 67 28.526 -9.522 3.353 1.00 1.90 H new ATOM 0 HD13 LEU A 67 26.870 -9.177 3.906 1.00 1.90 H new ATOM 0 HD21 LEU A 67 25.565 -11.511 2.370 1.00 2.13 H new ATOM 0 HD22 LEU A 67 24.904 -9.859 2.393 1.00 2.13 H new ATOM 0 HD23 LEU A 67 25.263 -10.652 0.841 1.00 2.13 H new ATOM 953 N ASP A 68 28.063 -6.971 -1.167 1.00 0.79 N ATOM 954 CA ASP A 68 28.469 -5.712 -1.790 1.00 0.94 C ATOM 955 C ASP A 68 27.617 -5.413 -3.018 1.00 0.86 C ATOM 956 O ASP A 68 27.061 -4.322 -3.146 1.00 0.91 O ATOM 957 CB ASP A 68 29.950 -5.757 -2.180 1.00 1.12 C ATOM 958 CG ASP A 68 30.464 -4.409 -2.653 1.00 1.55 C ATOM 959 OD1 ASP A 68 30.381 -4.131 -3.869 1.00 2.04 O ATOM 960 OD2 ASP A 68 30.944 -3.628 -1.805 1.00 2.24 O ATOM 0 H ASP A 68 28.826 -7.630 -1.010 1.00 0.79 H new ATOM 0 HA ASP A 68 28.320 -4.915 -1.062 1.00 0.94 H new ATOM 0 HB2 ASP A 68 30.539 -6.088 -1.324 1.00 1.12 H new ATOM 0 HB3 ASP A 68 30.093 -6.495 -2.969 1.00 1.12 H new ATOM 965 N THR A 69 27.508 -6.387 -3.919 1.00 0.80 N ATOM 966 CA THR A 69 26.713 -6.207 -5.127 1.00 0.80 C ATOM 967 C THR A 69 25.253 -5.944 -4.766 1.00 0.67 C ATOM 968 O THR A 69 24.643 -4.988 -5.251 1.00 0.73 O ATOM 969 CB THR A 69 26.830 -7.433 -6.031 1.00 0.86 C ATOM 970 OG1 THR A 69 28.146 -7.957 -6.002 1.00 1.02 O ATOM 971 CG2 THR A 69 26.490 -7.146 -7.476 1.00 0.94 C ATOM 0 H THR A 69 27.956 -7.300 -3.835 1.00 0.80 H new ATOM 0 HA THR A 69 27.096 -5.343 -5.670 1.00 0.80 H new ATOM 0 HB THR A 69 26.109 -8.149 -5.636 1.00 0.86 H new ATOM 0 HG1 THR A 69 28.198 -8.742 -6.586 1.00 1.02 H new ATOM 0 HG21 THR A 69 26.594 -8.059 -8.062 1.00 0.94 H new ATOM 0 HG22 THR A 69 25.463 -6.786 -7.544 1.00 0.94 H new ATOM 0 HG23 THR A 69 27.168 -6.386 -7.865 1.00 0.94 H new ATOM 979 N GLY A 70 24.699 -6.787 -3.894 1.00 0.57 N ATOM 980 CA GLY A 70 23.324 -6.612 -3.469 1.00 0.59 C ATOM 981 C GLY A 70 23.072 -5.204 -2.967 1.00 0.69 C ATOM 982 O GLY A 70 22.031 -4.614 -3.246 1.00 0.79 O ATOM 0 H GLY A 70 25.179 -7.585 -3.477 1.00 0.57 H new ATOM 0 HA2 GLY A 70 22.655 -6.828 -4.302 1.00 0.59 H new ATOM 0 HA3 GLY A 70 23.092 -7.328 -2.680 1.00 0.59 H new ATOM 986 N LYS A 71 24.044 -4.659 -2.231 1.00 0.76 N ATOM 987 CA LYS A 71 23.936 -3.303 -1.701 1.00 0.94 C ATOM 988 C LYS A 71 23.538 -2.339 -2.812 1.00 0.99 C ATOM 989 O LYS A 71 22.663 -1.491 -2.634 1.00 1.12 O ATOM 990 CB LYS A 71 25.265 -2.867 -1.076 1.00 1.05 C ATOM 991 CG LYS A 71 25.113 -2.215 0.289 1.00 1.35 C ATOM 992 CD LYS A 71 24.730 -0.745 0.170 1.00 1.91 C ATOM 993 CE LYS A 71 23.562 -0.392 1.080 1.00 2.53 C ATOM 994 NZ LYS A 71 22.264 -0.411 0.351 1.00 3.25 N ATOM 0 H LYS A 71 24.912 -5.137 -1.990 1.00 0.76 H new ATOM 0 HA LYS A 71 23.167 -3.290 -0.928 1.00 0.94 H new ATOM 0 HB2 LYS A 71 25.915 -3.737 -0.983 1.00 1.05 H new ATOM 0 HB3 LYS A 71 25.761 -2.168 -1.749 1.00 1.05 H new ATOM 0 HG2 LYS A 71 24.352 -2.744 0.863 1.00 1.35 H new ATOM 0 HG3 LYS A 71 26.048 -2.304 0.841 1.00 1.35 H new ATOM 0 HD2 LYS A 71 25.589 -0.124 0.423 1.00 1.91 H new ATOM 0 HD3 LYS A 71 24.467 -0.520 -0.864 1.00 1.91 H new ATOM 0 HE2 LYS A 71 23.522 -1.097 1.910 1.00 2.53 H new ATOM 0 HE3 LYS A 71 23.723 0.597 1.510 1.00 2.53 H new ATOM 0 HZ1 LYS A 71 21.515 -0.036 0.967 1.00 3.25 H new ATOM 0 HZ2 LYS A 71 22.337 0.177 -0.503 1.00 3.25 H new ATOM 0 HZ3 LYS A 71 22.032 -1.388 0.080 1.00 3.25 H new ATOM 1008 N LYS A 72 24.180 -2.494 -3.967 1.00 0.95 N ATOM 1009 CA LYS A 72 23.888 -1.658 -5.124 1.00 1.08 C ATOM 1010 C LYS A 72 22.404 -1.737 -5.461 1.00 1.06 C ATOM 1011 O LYS A 72 21.720 -0.717 -5.547 1.00 1.26 O ATOM 1012 CB LYS A 72 24.733 -2.097 -6.327 1.00 1.14 C ATOM 1013 CG LYS A 72 25.425 -0.946 -7.044 1.00 1.49 C ATOM 1014 CD LYS A 72 24.496 -0.262 -8.040 1.00 2.07 C ATOM 1015 CE LYS A 72 24.337 1.220 -7.737 1.00 2.89 C ATOM 1016 NZ LYS A 72 23.274 1.468 -6.725 1.00 3.71 N ATOM 0 H LYS A 72 24.907 -3.192 -4.125 1.00 0.95 H new ATOM 0 HA LYS A 72 24.140 -0.625 -4.885 1.00 1.08 H new ATOM 0 HB2 LYS A 72 25.487 -2.808 -5.990 1.00 1.14 H new ATOM 0 HB3 LYS A 72 24.093 -2.623 -7.036 1.00 1.14 H new ATOM 0 HG2 LYS A 72 25.773 -0.218 -6.312 1.00 1.49 H new ATOM 0 HG3 LYS A 72 26.306 -1.319 -7.566 1.00 1.49 H new ATOM 0 HD2 LYS A 72 24.889 -0.387 -9.049 1.00 2.07 H new ATOM 0 HD3 LYS A 72 23.519 -0.745 -8.017 1.00 2.07 H new ATOM 0 HE2 LYS A 72 25.284 1.620 -7.375 1.00 2.89 H new ATOM 0 HE3 LYS A 72 24.096 1.755 -8.656 1.00 2.89 H new ATOM 0 HZ1 LYS A 72 22.911 2.437 -6.833 1.00 3.71 H new ATOM 0 HZ2 LYS A 72 22.497 0.790 -6.864 1.00 3.71 H new ATOM 0 HZ3 LYS A 72 23.669 1.350 -5.770 1.00 3.71 H new ATOM 1030 N LEU A 73 21.911 -2.960 -5.636 1.00 0.89 N ATOM 1031 CA LEU A 73 20.503 -3.181 -5.947 1.00 0.98 C ATOM 1032 C LEU A 73 19.615 -2.421 -4.964 1.00 1.14 C ATOM 1033 O LEU A 73 18.623 -1.806 -5.356 1.00 1.32 O ATOM 1034 CB LEU A 73 20.169 -4.677 -5.898 1.00 0.97 C ATOM 1035 CG LEU A 73 21.051 -5.586 -6.766 1.00 0.92 C ATOM 1036 CD1 LEU A 73 20.294 -6.853 -7.140 1.00 0.96 C ATOM 1037 CD2 LEU A 73 21.526 -4.859 -8.017 1.00 1.52 C ATOM 0 H LEU A 73 22.466 -3.813 -5.568 1.00 0.89 H new ATOM 0 HA LEU A 73 20.315 -2.811 -6.955 1.00 0.98 H new ATOM 0 HB2 LEU A 73 20.241 -5.013 -4.863 1.00 0.97 H new ATOM 0 HB3 LEU A 73 19.131 -4.809 -6.204 1.00 0.97 H new ATOM 0 HG LEU A 73 21.931 -5.861 -6.185 1.00 0.92 H new ATOM 0 HD11 LEU A 73 20.930 -7.489 -7.755 1.00 0.96 H new ATOM 0 HD12 LEU A 73 20.013 -7.390 -6.234 1.00 0.96 H new ATOM 0 HD13 LEU A 73 19.396 -6.589 -7.699 1.00 0.96 H new ATOM 0 HD21 LEU A 73 22.148 -5.527 -8.612 1.00 1.52 H new ATOM 0 HD22 LEU A 73 20.664 -4.546 -8.606 1.00 1.52 H new ATOM 0 HD23 LEU A 73 22.107 -3.982 -7.730 1.00 1.52 H new ATOM 1049 N SER A 74 19.981 -2.474 -3.686 1.00 1.13 N ATOM 1050 CA SER A 74 19.223 -1.793 -2.640 1.00 1.36 C ATOM 1051 C SER A 74 19.032 -0.320 -2.986 1.00 1.52 C ATOM 1052 O SER A 74 17.912 0.189 -2.981 1.00 1.76 O ATOM 1053 CB SER A 74 19.938 -1.915 -1.291 1.00 1.37 C ATOM 1054 OG SER A 74 20.663 -3.129 -1.198 1.00 1.67 O ATOM 0 H SER A 74 20.799 -2.982 -3.349 1.00 1.13 H new ATOM 0 HA SER A 74 18.245 -2.270 -2.569 1.00 1.36 H new ATOM 0 HB2 SER A 74 20.617 -1.073 -1.160 1.00 1.37 H new ATOM 0 HB3 SER A 74 19.207 -1.863 -0.484 1.00 1.37 H new ATOM 0 HG SER A 74 20.042 -3.886 -1.250 1.00 1.67 H new ATOM 1060 N ASP A 75 20.137 0.359 -3.273 1.00 1.47 N ATOM 1061 CA ASP A 75 20.099 1.779 -3.613 1.00 1.71 C ATOM 1062 C ASP A 75 19.098 2.057 -4.733 1.00 1.86 C ATOM 1063 O ASP A 75 18.331 3.019 -4.663 1.00 2.14 O ATOM 1064 CB ASP A 75 21.491 2.272 -4.029 1.00 1.72 C ATOM 1065 CG ASP A 75 22.614 1.628 -3.231 1.00 1.79 C ATOM 1066 OD1 ASP A 75 22.410 1.340 -2.033 1.00 2.34 O ATOM 1067 OD2 ASP A 75 23.700 1.416 -3.807 1.00 2.15 O ATOM 0 H ASP A 75 21.071 -0.050 -3.277 1.00 1.47 H new ATOM 0 HA ASP A 75 19.778 2.320 -2.723 1.00 1.71 H new ATOM 0 HB2 ASP A 75 21.641 2.066 -5.089 1.00 1.72 H new ATOM 0 HB3 ASP A 75 21.539 3.354 -3.905 1.00 1.72 H new ATOM 1072 N ASP A 76 19.124 1.225 -5.775 1.00 1.77 N ATOM 1073 CA ASP A 76 18.227 1.397 -6.921 1.00 2.01 C ATOM 1074 C ASP A 76 17.071 0.394 -6.900 1.00 1.98 C ATOM 1075 O ASP A 76 16.720 -0.181 -7.933 1.00 2.28 O ATOM 1076 CB ASP A 76 19.013 1.263 -8.231 1.00 2.20 C ATOM 1077 CG ASP A 76 19.840 -0.008 -8.291 1.00 2.36 C ATOM 1078 OD1 ASP A 76 19.282 -1.065 -8.650 1.00 2.89 O ATOM 1079 OD2 ASP A 76 21.045 0.058 -7.982 1.00 2.64 O ATOM 0 H ASP A 76 19.755 0.427 -5.850 1.00 1.77 H new ATOM 0 HA ASP A 76 17.798 2.397 -6.853 1.00 2.01 H new ATOM 0 HB2 ASP A 76 18.318 1.279 -9.070 1.00 2.20 H new ATOM 0 HB3 ASP A 76 19.670 2.125 -8.345 1.00 2.20 H new ATOM 1084 N ASN A 77 16.466 0.199 -5.729 1.00 1.87 N ATOM 1085 CA ASN A 77 15.337 -0.725 -5.596 1.00 2.13 C ATOM 1086 C ASN A 77 14.339 -0.522 -6.733 1.00 1.92 C ATOM 1087 O ASN A 77 13.988 0.612 -7.062 1.00 2.30 O ATOM 1088 CB ASN A 77 14.633 -0.525 -4.251 1.00 3.00 C ATOM 1089 CG ASN A 77 15.426 -1.091 -3.089 1.00 3.68 C ATOM 1090 OD1 ASN A 77 15.997 -2.176 -3.182 1.00 3.93 O ATOM 1091 ND2 ASN A 77 15.465 -0.357 -1.983 1.00 4.42 N ATOM 0 H ASN A 77 16.736 0.665 -4.863 1.00 1.87 H new ATOM 0 HA ASN A 77 15.727 -1.742 -5.645 1.00 2.13 H new ATOM 0 HB2 ASN A 77 14.465 0.540 -4.088 1.00 3.00 H new ATOM 0 HB3 ASN A 77 13.653 -1.001 -4.284 1.00 3.00 H new ATOM 0 HD21 ASN A 77 15.983 -0.688 -1.169 1.00 4.42 H new ATOM 0 HD22 ASN A 77 14.977 0.538 -1.947 1.00 4.42 H new ATOM 1098 N THR A 78 13.890 -1.623 -7.333 1.00 2.42 N ATOM 1099 CA THR A 78 12.936 -1.560 -8.437 1.00 3.13 C ATOM 1100 C THR A 78 12.192 -2.884 -8.598 1.00 3.07 C ATOM 1101 O THR A 78 12.754 -3.866 -9.084 1.00 3.33 O ATOM 1102 CB THR A 78 13.655 -1.201 -9.745 1.00 4.02 C ATOM 1103 OG1 THR A 78 14.996 -1.664 -9.726 1.00 4.29 O ATOM 1104 CG2 THR A 78 13.689 0.287 -10.028 1.00 4.87 C ATOM 0 H THR A 78 14.172 -2.568 -7.073 1.00 2.42 H new ATOM 0 HA THR A 78 12.207 -0.783 -8.206 1.00 3.13 H new ATOM 0 HB THR A 78 13.077 -1.689 -10.530 1.00 4.02 H new ATOM 0 HG1 THR A 78 15.528 -1.100 -9.127 1.00 4.29 H new ATOM 0 HG21 THR A 78 14.212 0.467 -10.967 1.00 4.87 H new ATOM 0 HG22 THR A 78 12.670 0.667 -10.102 1.00 4.87 H new ATOM 0 HG23 THR A 78 14.210 0.799 -9.219 1.00 4.87 H new ATOM 1112 N ILE A 79 10.924 -2.897 -8.184 1.00 3.06 N ATOM 1113 CA ILE A 79 10.079 -4.088 -8.274 1.00 3.21 C ATOM 1114 C ILE A 79 10.883 -5.375 -8.048 1.00 2.90 C ATOM 1115 O ILE A 79 11.320 -5.637 -6.935 1.00 3.08 O ATOM 1116 CB ILE A 79 9.344 -4.152 -9.635 1.00 3.81 C ATOM 1117 CG1 ILE A 79 8.512 -2.882 -9.849 1.00 4.11 C ATOM 1118 CG2 ILE A 79 8.452 -5.389 -9.708 1.00 4.49 C ATOM 1119 CD1 ILE A 79 7.963 -2.743 -11.254 1.00 4.56 C ATOM 0 H ILE A 79 10.456 -2.086 -7.779 1.00 3.06 H new ATOM 0 HA ILE A 79 9.336 -4.010 -7.480 1.00 3.21 H new ATOM 0 HB ILE A 79 10.090 -4.220 -10.427 1.00 3.81 H new ATOM 0 HG12 ILE A 79 7.682 -2.879 -9.142 1.00 4.11 H new ATOM 0 HG13 ILE A 79 9.128 -2.012 -9.621 1.00 4.11 H new ATOM 0 HG21 ILE A 79 7.944 -5.415 -10.672 1.00 4.49 H new ATOM 0 HG22 ILE A 79 9.062 -6.285 -9.595 1.00 4.49 H new ATOM 0 HG23 ILE A 79 7.711 -5.351 -8.909 1.00 4.49 H new ATOM 0 HD11 ILE A 79 7.386 -1.822 -11.330 1.00 4.56 H new ATOM 0 HD12 ILE A 79 8.788 -2.714 -11.966 1.00 4.56 H new ATOM 0 HD13 ILE A 79 7.320 -3.594 -11.479 1.00 4.56 H new ATOM 1131 N GLY A 80 11.075 -6.164 -9.110 1.00 2.87 N ATOM 1132 CA GLY A 80 11.820 -7.420 -9.017 1.00 2.77 C ATOM 1133 C GLY A 80 12.920 -7.413 -7.967 1.00 2.49 C ATOM 1134 O GLY A 80 13.153 -8.420 -7.295 1.00 2.38 O ATOM 0 H GLY A 80 10.724 -5.953 -10.044 1.00 2.87 H new ATOM 0 HA2 GLY A 80 11.123 -8.228 -8.792 1.00 2.77 H new ATOM 0 HA3 GLY A 80 12.261 -7.641 -9.989 1.00 2.77 H new ATOM 1138 N LYS A 81 13.594 -6.277 -7.822 1.00 2.47 N ATOM 1139 CA LYS A 81 14.676 -6.134 -6.848 1.00 2.30 C ATOM 1140 C LYS A 81 14.284 -6.684 -5.472 1.00 2.13 C ATOM 1141 O LYS A 81 15.113 -7.259 -4.772 1.00 1.92 O ATOM 1142 CB LYS A 81 15.080 -4.663 -6.727 1.00 2.45 C ATOM 1143 CG LYS A 81 16.567 -4.454 -6.487 1.00 2.98 C ATOM 1144 CD LYS A 81 17.163 -3.473 -7.485 1.00 3.54 C ATOM 1145 CE LYS A 81 17.320 -4.093 -8.865 1.00 4.27 C ATOM 1146 NZ LYS A 81 17.494 -3.056 -9.916 1.00 4.40 N ATOM 0 H LYS A 81 13.410 -5.436 -8.369 1.00 2.47 H new ATOM 0 HA LYS A 81 15.523 -6.718 -7.208 1.00 2.30 H new ATOM 0 HB2 LYS A 81 14.791 -4.140 -7.639 1.00 2.45 H new ATOM 0 HB3 LYS A 81 14.522 -4.208 -5.909 1.00 2.45 H new ATOM 0 HG2 LYS A 81 16.724 -4.084 -5.474 1.00 2.98 H new ATOM 0 HG3 LYS A 81 17.086 -5.410 -6.561 1.00 2.98 H new ATOM 0 HD2 LYS A 81 16.525 -2.592 -7.553 1.00 3.54 H new ATOM 0 HD3 LYS A 81 18.135 -3.135 -7.126 1.00 3.54 H new ATOM 0 HE2 LYS A 81 18.180 -4.762 -8.868 1.00 4.27 H new ATOM 0 HE3 LYS A 81 16.444 -4.700 -9.094 1.00 4.27 H new ATOM 0 HZ1 LYS A 81 17.733 -3.514 -10.819 1.00 4.40 H new ATOM 0 HZ2 LYS A 81 16.610 -2.518 -10.023 1.00 4.40 H new ATOM 0 HZ3 LYS A 81 18.261 -2.410 -9.642 1.00 4.40 H new ATOM 1160 N GLU A 82 13.020 -6.508 -5.096 1.00 2.24 N ATOM 1161 CA GLU A 82 12.522 -6.982 -3.811 1.00 2.14 C ATOM 1162 C GLU A 82 12.692 -8.492 -3.681 1.00 1.94 C ATOM 1163 O GLU A 82 13.191 -8.979 -2.669 1.00 1.76 O ATOM 1164 CB GLU A 82 11.051 -6.592 -3.641 1.00 2.37 C ATOM 1165 CG GLU A 82 10.849 -5.138 -3.240 1.00 2.74 C ATOM 1166 CD GLU A 82 11.148 -4.167 -4.370 1.00 2.68 C ATOM 1167 OE1 GLU A 82 12.338 -3.846 -4.580 1.00 2.89 O ATOM 1168 OE2 GLU A 82 10.192 -3.725 -5.042 1.00 3.00 O ATOM 0 H GLU A 82 12.319 -6.037 -5.668 1.00 2.24 H new ATOM 0 HA GLU A 82 13.106 -6.510 -3.021 1.00 2.14 H new ATOM 0 HB2 GLU A 82 10.524 -6.779 -4.577 1.00 2.37 H new ATOM 0 HB3 GLU A 82 10.598 -7.235 -2.886 1.00 2.37 H new ATOM 0 HG2 GLU A 82 9.820 -4.997 -2.909 1.00 2.74 H new ATOM 0 HG3 GLU A 82 11.492 -4.908 -2.390 1.00 2.74 H new ATOM 1175 N GLU A 83 12.281 -9.227 -4.711 1.00 2.03 N ATOM 1176 CA GLU A 83 12.405 -10.682 -4.706 1.00 1.94 C ATOM 1177 C GLU A 83 13.857 -11.079 -4.472 1.00 1.73 C ATOM 1178 O GLU A 83 14.160 -11.901 -3.608 1.00 1.57 O ATOM 1179 CB GLU A 83 11.905 -11.269 -6.033 1.00 2.17 C ATOM 1180 CG GLU A 83 12.304 -12.724 -6.253 1.00 2.39 C ATOM 1181 CD GLU A 83 13.689 -12.873 -6.859 1.00 2.51 C ATOM 1182 OE1 GLU A 83 13.957 -12.234 -7.899 1.00 2.93 O ATOM 1183 OE2 GLU A 83 14.508 -13.630 -6.296 1.00 2.94 O ATOM 0 H GLU A 83 11.861 -8.841 -5.557 1.00 2.03 H new ATOM 0 HA GLU A 83 11.792 -11.081 -3.898 1.00 1.94 H new ATOM 0 HB2 GLU A 83 10.818 -11.191 -6.067 1.00 2.17 H new ATOM 0 HB3 GLU A 83 12.294 -10.667 -6.855 1.00 2.17 H new ATOM 0 HG2 GLU A 83 12.271 -13.252 -5.300 1.00 2.39 H new ATOM 0 HG3 GLU A 83 11.574 -13.201 -6.907 1.00 2.39 H new ATOM 1190 N ILE A 84 14.753 -10.477 -5.246 1.00 1.75 N ATOM 1191 CA ILE A 84 16.176 -10.754 -5.122 1.00 1.60 C ATOM 1192 C ILE A 84 16.640 -10.510 -3.687 1.00 1.38 C ATOM 1193 O ILE A 84 17.265 -11.371 -3.068 1.00 1.22 O ATOM 1194 CB ILE A 84 17.001 -9.875 -6.089 1.00 1.73 C ATOM 1195 CG1 ILE A 84 16.810 -10.350 -7.534 1.00 2.03 C ATOM 1196 CG2 ILE A 84 18.476 -9.890 -5.712 1.00 1.57 C ATOM 1197 CD1 ILE A 84 17.528 -9.494 -8.557 1.00 2.47 C ATOM 0 H ILE A 84 14.517 -9.794 -5.966 1.00 1.75 H new ATOM 0 HA ILE A 84 16.336 -11.800 -5.382 1.00 1.60 H new ATOM 0 HB ILE A 84 16.642 -8.849 -6.009 1.00 1.73 H new ATOM 0 HG12 ILE A 84 17.165 -11.377 -7.619 1.00 2.03 H new ATOM 0 HG13 ILE A 84 15.745 -10.361 -7.766 1.00 2.03 H new ATOM 0 HG21 ILE A 84 19.036 -9.264 -6.407 1.00 1.57 H new ATOM 0 HG22 ILE A 84 18.597 -9.505 -4.699 1.00 1.57 H new ATOM 0 HG23 ILE A 84 18.853 -10.912 -5.759 1.00 1.57 H new ATOM 0 HD11 ILE A 84 17.347 -9.891 -9.556 1.00 2.47 H new ATOM 0 HD12 ILE A 84 17.156 -8.471 -8.501 1.00 2.47 H new ATOM 0 HD13 ILE A 84 18.598 -9.503 -8.352 1.00 2.47 H new ATOM 1209 N GLN A 85 16.319 -9.330 -3.166 1.00 1.45 N ATOM 1210 CA GLN A 85 16.692 -8.958 -1.806 1.00 1.35 C ATOM 1211 C GLN A 85 16.207 -10.001 -0.802 1.00 1.19 C ATOM 1212 O GLN A 85 16.951 -10.405 0.089 1.00 1.05 O ATOM 1213 CB GLN A 85 16.111 -7.584 -1.457 1.00 1.56 C ATOM 1214 CG GLN A 85 17.070 -6.685 -0.687 1.00 1.77 C ATOM 1215 CD GLN A 85 17.310 -5.357 -1.381 1.00 2.36 C ATOM 1216 OE1 GLN A 85 18.431 -4.850 -1.406 1.00 2.80 O ATOM 1217 NE2 GLN A 85 16.253 -4.785 -1.945 1.00 3.13 N ATOM 0 H GLN A 85 15.798 -8.611 -3.669 1.00 1.45 H new ATOM 0 HA GLN A 85 17.780 -8.911 -1.752 1.00 1.35 H new ATOM 0 HB2 GLN A 85 15.817 -7.080 -2.378 1.00 1.56 H new ATOM 0 HB3 GLN A 85 15.205 -7.723 -0.866 1.00 1.56 H new ATOM 0 HG2 GLN A 85 16.669 -6.502 0.310 1.00 1.77 H new ATOM 0 HG3 GLN A 85 18.022 -7.201 -0.559 1.00 1.77 H new ATOM 0 HE21 GLN A 85 15.342 -5.241 -1.900 1.00 3.13 H new ATOM 0 HE22 GLN A 85 16.352 -3.890 -2.423 1.00 3.13 H new ATOM 1226 N GLN A 86 14.959 -10.433 -0.955 1.00 1.26 N ATOM 1227 CA GLN A 86 14.384 -11.435 -0.062 1.00 1.18 C ATOM 1228 C GLN A 86 15.184 -12.728 -0.137 1.00 1.03 C ATOM 1229 O GLN A 86 15.531 -13.315 0.887 1.00 0.90 O ATOM 1230 CB GLN A 86 12.920 -11.698 -0.420 1.00 1.37 C ATOM 1231 CG GLN A 86 11.997 -10.530 -0.107 1.00 1.47 C ATOM 1232 CD GLN A 86 10.636 -10.671 -0.762 1.00 2.31 C ATOM 1233 OE1 GLN A 86 10.418 -9.933 -1.844 1.00 2.90 O flip ATOM 1234 NE2 GLN A 86 9.789 -11.436 -0.301 1.00 3.09 N flip ATOM 0 H GLN A 86 14.328 -10.106 -1.686 1.00 1.26 H new ATOM 0 HA GLN A 86 14.427 -11.053 0.958 1.00 1.18 H new ATOM 0 HB2 GLN A 86 12.851 -11.930 -1.483 1.00 1.37 H new ATOM 0 HB3 GLN A 86 12.575 -12.578 0.122 1.00 1.37 H new ATOM 0 HG2 GLN A 86 11.870 -10.451 0.973 1.00 1.47 H new ATOM 0 HG3 GLN A 86 12.463 -9.603 -0.442 1.00 1.47 H new ATOM 0 HE21 GLN A 86 9.998 -11.985 0.533 1.00 3.09 H new ATOM 0 HE22 GLN A 86 8.878 -11.521 -0.753 1.00 3.09 H new ATOM 1243 N ARG A 87 15.484 -13.157 -1.360 1.00 1.11 N ATOM 1244 CA ARG A 87 16.257 -14.374 -1.576 1.00 1.09 C ATOM 1245 C ARG A 87 17.624 -14.253 -0.913 1.00 0.91 C ATOM 1246 O ARG A 87 18.040 -15.133 -0.160 1.00 0.87 O ATOM 1247 CB ARG A 87 16.418 -14.646 -3.074 1.00 1.29 C ATOM 1248 CG ARG A 87 17.275 -15.864 -3.388 1.00 1.78 C ATOM 1249 CD ARG A 87 16.964 -16.427 -4.765 1.00 2.22 C ATOM 1250 NE ARG A 87 16.812 -15.372 -5.766 1.00 2.81 N ATOM 1251 CZ ARG A 87 17.784 -14.969 -6.580 1.00 3.73 C ATOM 1252 NH1 ARG A 87 18.978 -15.541 -6.509 1.00 4.21 N ATOM 1253 NH2 ARG A 87 17.567 -14.003 -7.464 1.00 4.43 N ATOM 0 H ARG A 87 15.203 -12.679 -2.216 1.00 1.11 H new ATOM 0 HA ARG A 87 15.721 -15.210 -1.127 1.00 1.09 H new ATOM 0 HB2 ARG A 87 15.432 -14.783 -3.517 1.00 1.29 H new ATOM 0 HB3 ARG A 87 16.861 -13.770 -3.547 1.00 1.29 H new ATOM 0 HG2 ARG A 87 18.329 -15.591 -3.335 1.00 1.78 H new ATOM 0 HG3 ARG A 87 17.106 -16.632 -2.634 1.00 1.78 H new ATOM 0 HD2 ARG A 87 17.763 -17.103 -5.069 1.00 2.22 H new ATOM 0 HD3 ARG A 87 16.048 -17.016 -4.717 1.00 2.22 H new ATOM 0 HE ARG A 87 15.903 -14.916 -5.845 1.00 2.81 H new ATOM 0 HH11 ARG A 87 19.147 -16.286 -5.833 1.00 4.21 H new ATOM 0 HH12 ARG A 87 19.727 -15.236 -7.130 1.00 4.21 H new ATOM 0 HH21 ARG A 87 16.649 -13.563 -7.523 1.00 4.43 H new ATOM 0 HH22 ARG A 87 18.319 -13.701 -8.084 1.00 4.43 H new ATOM 1267 N LEU A 88 18.322 -13.155 -1.196 1.00 0.87 N ATOM 1268 CA LEU A 88 19.637 -12.922 -0.615 1.00 0.78 C ATOM 1269 C LEU A 88 19.555 -12.979 0.906 1.00 0.71 C ATOM 1270 O LEU A 88 20.382 -13.612 1.562 1.00 0.67 O ATOM 1271 CB LEU A 88 20.189 -11.563 -1.061 1.00 0.86 C ATOM 1272 CG LEU A 88 21.699 -11.528 -1.320 1.00 1.04 C ATOM 1273 CD1 LEU A 88 22.139 -10.124 -1.713 1.00 1.90 C ATOM 1274 CD2 LEU A 88 22.464 -12.008 -0.093 1.00 1.15 C ATOM 0 H LEU A 88 17.998 -12.417 -1.822 1.00 0.87 H new ATOM 0 HA LEU A 88 20.313 -13.703 -0.964 1.00 0.78 H new ATOM 0 HB2 LEU A 88 19.673 -11.260 -1.972 1.00 0.86 H new ATOM 0 HB3 LEU A 88 19.950 -10.823 -0.297 1.00 0.86 H new ATOM 0 HG LEU A 88 21.923 -12.202 -2.147 1.00 1.04 H new ATOM 0 HD11 LEU A 88 23.214 -10.117 -1.893 1.00 1.90 H new ATOM 0 HD12 LEU A 88 21.617 -9.820 -2.620 1.00 1.90 H new ATOM 0 HD13 LEU A 88 21.902 -9.429 -0.907 1.00 1.90 H new ATOM 0 HD21 LEU A 88 23.534 -11.976 -0.296 1.00 1.15 H new ATOM 0 HD22 LEU A 88 22.236 -11.361 0.754 1.00 1.15 H new ATOM 0 HD23 LEU A 88 22.170 -13.031 0.142 1.00 1.15 H new ATOM 1286 N ALA A 89 18.537 -12.326 1.461 1.00 0.77 N ATOM 1287 CA ALA A 89 18.335 -12.315 2.902 1.00 0.81 C ATOM 1288 C ALA A 89 18.188 -13.738 3.419 1.00 0.74 C ATOM 1289 O ALA A 89 18.696 -14.080 4.485 1.00 0.77 O ATOM 1290 CB ALA A 89 17.114 -11.482 3.265 1.00 0.97 C ATOM 0 H ALA A 89 17.841 -11.799 0.933 1.00 0.77 H new ATOM 0 HA ALA A 89 19.206 -11.861 3.374 1.00 0.81 H new ATOM 0 HB1 ALA A 89 16.979 -11.486 4.347 1.00 0.97 H new ATOM 0 HB2 ALA A 89 17.257 -10.458 2.921 1.00 0.97 H new ATOM 0 HB3 ALA A 89 16.230 -11.905 2.788 1.00 0.97 H new ATOM 1296 N GLN A 90 17.508 -14.574 2.642 1.00 0.73 N ATOM 1297 CA GLN A 90 17.316 -15.969 3.017 1.00 0.79 C ATOM 1298 C GLN A 90 18.663 -16.676 3.055 1.00 0.73 C ATOM 1299 O GLN A 90 18.960 -17.436 3.978 1.00 0.79 O ATOM 1300 CB GLN A 90 16.380 -16.672 2.029 1.00 0.90 C ATOM 1301 CG GLN A 90 15.434 -17.666 2.686 1.00 1.35 C ATOM 1302 CD GLN A 90 14.652 -18.483 1.675 1.00 1.96 C ATOM 1303 OE1 GLN A 90 13.607 -18.051 1.188 1.00 2.38 O ATOM 1304 NE2 GLN A 90 15.156 -19.668 1.351 1.00 2.72 N ATOM 0 H GLN A 90 17.083 -14.311 1.753 1.00 0.73 H new ATOM 0 HA GLN A 90 16.859 -16.007 4.006 1.00 0.79 H new ATOM 0 HB2 GLN A 90 15.794 -15.921 1.500 1.00 0.90 H new ATOM 0 HB3 GLN A 90 16.979 -17.193 1.282 1.00 0.90 H new ATOM 0 HG2 GLN A 90 16.006 -18.338 3.326 1.00 1.35 H new ATOM 0 HG3 GLN A 90 14.738 -17.128 3.330 1.00 1.35 H new ATOM 0 HE21 GLN A 90 16.025 -19.987 1.779 1.00 2.72 H new ATOM 0 HE22 GLN A 90 14.674 -20.259 0.674 1.00 2.72 H new ATOM 1313 N PHE A 91 19.479 -16.416 2.039 1.00 0.66 N ATOM 1314 CA PHE A 91 20.798 -17.021 1.949 1.00 0.67 C ATOM 1315 C PHE A 91 21.609 -16.731 3.208 1.00 0.67 C ATOM 1316 O PHE A 91 22.183 -17.641 3.806 1.00 0.74 O ATOM 1317 CB PHE A 91 21.552 -16.514 0.713 1.00 0.65 C ATOM 1318 CG PHE A 91 22.968 -17.002 0.645 1.00 0.66 C ATOM 1319 CD1 PHE A 91 23.929 -16.469 1.478 1.00 1.03 C ATOM 1320 CD2 PHE A 91 23.340 -17.987 -0.257 1.00 0.93 C ATOM 1321 CE1 PHE A 91 25.230 -16.907 1.417 1.00 1.19 C ATOM 1322 CE2 PHE A 91 24.642 -18.426 -0.321 1.00 0.92 C ATOM 1323 CZ PHE A 91 25.575 -17.925 0.521 1.00 0.90 C ATOM 0 H PHE A 91 19.248 -15.790 1.268 1.00 0.66 H new ATOM 0 HA PHE A 91 20.665 -18.099 1.855 1.00 0.67 H new ATOM 0 HB2 PHE A 91 21.021 -16.832 -0.184 1.00 0.65 H new ATOM 0 HB3 PHE A 91 21.550 -15.424 0.715 1.00 0.65 H new ATOM 0 HD1 PHE A 91 23.656 -15.700 2.185 1.00 1.03 H new ATOM 0 HD2 PHE A 91 22.599 -18.414 -0.917 1.00 0.93 H new ATOM 0 HE1 PHE A 91 25.982 -16.468 2.057 1.00 1.19 H new ATOM 0 HE2 PHE A 91 24.921 -19.175 -1.047 1.00 0.92 H new ATOM 0 HZ PHE A 91 26.584 -18.310 0.502 1.00 0.90 H new ATOM 1333 N VAL A 92 21.656 -15.463 3.617 1.00 0.64 N ATOM 1334 CA VAL A 92 22.414 -15.091 4.805 1.00 0.72 C ATOM 1335 C VAL A 92 21.943 -15.893 6.017 1.00 0.77 C ATOM 1336 O VAL A 92 22.758 -16.467 6.738 1.00 0.86 O ATOM 1337 CB VAL A 92 22.370 -13.564 5.093 1.00 0.77 C ATOM 1338 CG1 VAL A 92 21.001 -13.095 5.568 1.00 1.37 C ATOM 1339 CG2 VAL A 92 23.448 -13.183 6.101 1.00 0.86 C ATOM 0 H VAL A 92 21.185 -14.689 3.149 1.00 0.64 H new ATOM 0 HA VAL A 92 23.457 -15.337 4.606 1.00 0.72 H new ATOM 0 HB VAL A 92 22.566 -13.056 4.149 1.00 0.77 H new ATOM 0 HG11 VAL A 92 21.029 -12.021 5.754 1.00 1.37 H new ATOM 0 HG12 VAL A 92 20.256 -13.312 4.802 1.00 1.37 H new ATOM 0 HG13 VAL A 92 20.737 -13.616 6.488 1.00 1.37 H new ATOM 0 HG21 VAL A 92 23.405 -12.111 6.292 1.00 0.86 H new ATOM 0 HG22 VAL A 92 23.283 -13.725 7.032 1.00 0.86 H new ATOM 0 HG23 VAL A 92 24.428 -13.441 5.700 1.00 0.86 H new ATOM 1349 N ASP A 93 20.624 -15.976 6.210 1.00 0.77 N ATOM 1350 CA ASP A 93 20.065 -16.749 7.315 1.00 0.86 C ATOM 1351 C ASP A 93 20.641 -18.153 7.292 1.00 0.91 C ATOM 1352 O ASP A 93 21.209 -18.623 8.276 1.00 1.00 O ATOM 1353 CB ASP A 93 18.535 -16.801 7.232 1.00 0.90 C ATOM 1354 CG ASP A 93 17.992 -18.213 7.353 1.00 1.10 C ATOM 1355 OD1 ASP A 93 18.685 -19.156 6.914 1.00 1.55 O ATOM 1356 OD2 ASP A 93 16.872 -18.376 7.883 1.00 1.71 O ATOM 0 H ASP A 93 19.930 -15.520 5.618 1.00 0.77 H new ATOM 0 HA ASP A 93 20.332 -16.262 8.253 1.00 0.86 H new ATOM 0 HB2 ASP A 93 18.111 -16.183 8.024 1.00 0.90 H new ATOM 0 HB3 ASP A 93 18.211 -16.371 6.284 1.00 0.90 H new ATOM 1361 N HIS A 94 20.532 -18.803 6.140 1.00 0.89 N ATOM 1362 CA HIS A 94 21.072 -20.144 5.970 1.00 0.98 C ATOM 1363 C HIS A 94 22.534 -20.174 6.397 1.00 1.00 C ATOM 1364 O HIS A 94 22.917 -20.945 7.275 1.00 1.12 O ATOM 1365 CB HIS A 94 20.960 -20.576 4.512 1.00 1.00 C ATOM 1366 CG HIS A 94 19.559 -20.555 3.978 1.00 1.35 C ATOM 1367 ND1 HIS A 94 18.435 -20.658 4.767 1.00 2.17 N ATOM 1368 CD2 HIS A 94 19.112 -20.444 2.701 1.00 1.73 C ATOM 1369 CE1 HIS A 94 17.364 -20.610 3.964 1.00 2.46 C ATOM 1370 NE2 HIS A 94 17.721 -20.480 2.700 1.00 2.14 N ATOM 0 H HIS A 94 20.075 -18.423 5.311 1.00 0.89 H new ATOM 0 HA HIS A 94 20.499 -20.832 6.592 1.00 0.98 H new ATOM 0 HB2 HIS A 94 21.581 -19.922 3.901 1.00 1.00 H new ATOM 0 HB3 HIS A 94 21.362 -21.584 4.410 1.00 1.00 H new ATOM 0 HD1 HIS A 94 18.421 -20.754 5.782 1.00 2.17 H new ATOM 0 HD2 HIS A 94 19.736 -20.344 1.826 1.00 1.73 H new ATOM 0 HE1 HIS A 94 16.341 -20.670 4.306 1.00 2.46 H new ATOM 1378 N TRP A 95 23.345 -19.315 5.775 1.00 0.93 N ATOM 1379 CA TRP A 95 24.767 -19.242 6.088 1.00 1.00 C ATOM 1380 C TRP A 95 25.004 -19.231 7.593 1.00 1.06 C ATOM 1381 O TRP A 95 25.902 -19.907 8.081 1.00 1.16 O ATOM 1382 CB TRP A 95 25.416 -18.006 5.452 1.00 0.97 C ATOM 1383 CG TRP A 95 26.916 -18.048 5.512 1.00 1.09 C ATOM 1384 CD1 TRP A 95 27.699 -19.153 5.373 1.00 2.01 C ATOM 1385 CD2 TRP A 95 27.811 -16.953 5.735 1.00 1.04 C ATOM 1386 NE1 TRP A 95 29.018 -18.814 5.511 1.00 1.88 N ATOM 1387 CE2 TRP A 95 29.114 -17.470 5.725 1.00 1.04 C ATOM 1388 CE3 TRP A 95 27.638 -15.589 5.942 1.00 2.03 C ATOM 1389 CZ2 TRP A 95 30.236 -16.673 5.917 1.00 1.13 C ATOM 1390 CZ3 TRP A 95 28.750 -14.790 6.133 1.00 2.64 C ATOM 1391 CH2 TRP A 95 30.038 -15.335 6.120 1.00 2.05 C ATOM 0 H TRP A 95 23.038 -18.663 5.053 1.00 0.93 H new ATOM 0 HA TRP A 95 25.231 -20.135 5.669 1.00 1.00 H new ATOM 0 HB2 TRP A 95 25.099 -17.928 4.412 1.00 0.97 H new ATOM 0 HB3 TRP A 95 25.060 -17.110 5.961 1.00 0.97 H new ATOM 0 HD1 TRP A 95 27.333 -20.151 5.182 1.00 2.01 H new ATOM 0 HE1 TRP A 95 29.804 -19.463 5.462 1.00 1.88 H new ATOM 0 HE3 TRP A 95 26.647 -15.159 5.953 1.00 2.03 H new ATOM 0 HZ2 TRP A 95 31.230 -17.095 5.906 1.00 1.13 H new ATOM 0 HZ3 TRP A 95 28.622 -13.730 6.295 1.00 2.64 H new ATOM 0 HH2 TRP A 95 30.890 -14.689 6.273 1.00 2.05 H new ATOM 1402 N LYS A 96 24.200 -18.461 8.323 1.00 1.03 N ATOM 1403 CA LYS A 96 24.347 -18.388 9.779 1.00 1.12 C ATOM 1404 C LYS A 96 24.306 -19.784 10.395 1.00 1.21 C ATOM 1405 O LYS A 96 25.202 -20.166 11.146 1.00 1.32 O ATOM 1406 CB LYS A 96 23.256 -17.516 10.410 1.00 1.12 C ATOM 1407 CG LYS A 96 22.905 -16.283 9.593 1.00 1.49 C ATOM 1408 CD LYS A 96 22.231 -15.215 10.441 1.00 1.83 C ATOM 1409 CE LYS A 96 21.627 -14.114 9.580 1.00 2.36 C ATOM 1410 NZ LYS A 96 20.202 -13.850 9.928 1.00 2.86 N ATOM 0 H LYS A 96 23.450 -17.886 7.940 1.00 1.03 H new ATOM 0 HA LYS A 96 25.315 -17.932 9.985 1.00 1.12 H new ATOM 0 HB2 LYS A 96 22.357 -18.117 10.547 1.00 1.12 H new ATOM 0 HB3 LYS A 96 23.583 -17.202 11.401 1.00 1.12 H new ATOM 0 HG2 LYS A 96 23.811 -15.874 9.146 1.00 1.49 H new ATOM 0 HG3 LYS A 96 22.245 -16.566 8.773 1.00 1.49 H new ATOM 0 HD2 LYS A 96 21.450 -15.672 11.049 1.00 1.83 H new ATOM 0 HD3 LYS A 96 22.958 -14.783 11.128 1.00 1.83 H new ATOM 0 HE2 LYS A 96 22.206 -13.199 9.704 1.00 2.36 H new ATOM 0 HE3 LYS A 96 21.697 -14.396 8.529 1.00 2.36 H new ATOM 0 HZ1 LYS A 96 19.830 -13.094 9.318 1.00 2.86 H new ATOM 0 HZ2 LYS A 96 19.644 -14.716 9.786 1.00 2.86 H new ATOM 0 HZ3 LYS A 96 20.137 -13.556 10.923 1.00 2.86 H new ATOM 1424 N GLU A 97 23.259 -20.539 10.076 1.00 1.20 N ATOM 1425 CA GLU A 97 23.110 -21.891 10.605 1.00 1.32 C ATOM 1426 C GLU A 97 24.322 -22.745 10.247 1.00 1.36 C ATOM 1427 O GLU A 97 24.932 -23.377 11.112 1.00 1.47 O ATOM 1428 CB GLU A 97 21.827 -22.537 10.066 1.00 1.36 C ATOM 1429 CG GLU A 97 21.733 -24.036 10.319 1.00 1.86 C ATOM 1430 CD GLU A 97 20.908 -24.370 11.549 1.00 2.35 C ATOM 1431 OE1 GLU A 97 21.299 -23.952 12.658 1.00 2.68 O ATOM 1432 OE2 GLU A 97 19.868 -25.046 11.401 1.00 3.03 O ATOM 0 H GLU A 97 22.505 -20.240 9.457 1.00 1.20 H new ATOM 0 HA GLU A 97 23.041 -21.829 11.691 1.00 1.32 H new ATOM 0 HB2 GLU A 97 20.967 -22.047 10.523 1.00 1.36 H new ATOM 0 HB3 GLU A 97 21.765 -22.356 8.993 1.00 1.36 H new ATOM 0 HG2 GLU A 97 21.292 -24.521 9.448 1.00 1.86 H new ATOM 0 HG3 GLU A 97 22.737 -24.444 10.437 1.00 1.86 H new ATOM 1439 N LEU A 98 24.663 -22.764 8.962 1.00 1.31 N ATOM 1440 CA LEU A 98 25.799 -23.545 8.487 1.00 1.37 C ATOM 1441 C LEU A 98 27.080 -23.117 9.188 1.00 1.42 C ATOM 1442 O LEU A 98 27.932 -23.945 9.495 1.00 1.54 O ATOM 1443 CB LEU A 98 25.953 -23.402 6.971 1.00 1.31 C ATOM 1444 CG LEU A 98 24.946 -24.207 6.142 1.00 1.61 C ATOM 1445 CD1 LEU A 98 25.073 -23.862 4.666 1.00 2.07 C ATOM 1446 CD2 LEU A 98 25.140 -25.702 6.364 1.00 2.38 C ATOM 0 H LEU A 98 24.170 -22.249 8.233 1.00 1.31 H new ATOM 0 HA LEU A 98 25.611 -24.593 8.722 1.00 1.37 H new ATOM 0 HB2 LEU A 98 25.858 -22.348 6.708 1.00 1.31 H new ATOM 0 HB3 LEU A 98 26.961 -23.710 6.692 1.00 1.31 H new ATOM 0 HG LEU A 98 23.941 -23.942 6.471 1.00 1.61 H new ATOM 0 HD11 LEU A 98 24.350 -24.443 4.093 1.00 2.07 H new ATOM 0 HD12 LEU A 98 24.879 -22.799 4.523 1.00 2.07 H new ATOM 0 HD13 LEU A 98 26.081 -24.096 4.323 1.00 2.07 H new ATOM 0 HD21 LEU A 98 24.416 -26.256 5.767 1.00 2.38 H new ATOM 0 HD22 LEU A 98 26.149 -25.986 6.066 1.00 2.38 H new ATOM 0 HD23 LEU A 98 24.994 -25.935 7.419 1.00 2.38 H new ATOM 1458 N LYS A 99 27.206 -21.820 9.455 1.00 1.38 N ATOM 1459 CA LYS A 99 28.382 -21.288 10.133 1.00 1.47 C ATOM 1460 C LYS A 99 28.502 -21.905 11.522 1.00 1.60 C ATOM 1461 O LYS A 99 29.553 -22.426 11.893 1.00 1.74 O ATOM 1462 CB LYS A 99 28.298 -19.758 10.227 1.00 1.45 C ATOM 1463 CG LYS A 99 29.653 -19.061 10.250 1.00 1.90 C ATOM 1464 CD LYS A 99 30.464 -19.352 8.995 1.00 2.41 C ATOM 1465 CE LYS A 99 31.588 -18.343 8.812 1.00 3.14 C ATOM 1466 NZ LYS A 99 32.649 -18.848 7.897 1.00 4.07 N ATOM 0 H LYS A 99 26.507 -21.118 9.212 1.00 1.38 H new ATOM 0 HA LYS A 99 29.271 -21.546 9.557 1.00 1.47 H new ATOM 0 HB2 LYS A 99 27.723 -19.384 9.380 1.00 1.45 H new ATOM 0 HB3 LYS A 99 27.748 -19.490 11.129 1.00 1.45 H new ATOM 0 HG2 LYS A 99 29.506 -17.985 10.346 1.00 1.90 H new ATOM 0 HG3 LYS A 99 30.213 -19.385 11.127 1.00 1.90 H new ATOM 0 HD2 LYS A 99 30.882 -20.357 9.055 1.00 2.41 H new ATOM 0 HD3 LYS A 99 29.809 -19.331 8.124 1.00 2.41 H new ATOM 0 HE2 LYS A 99 31.180 -17.414 8.415 1.00 3.14 H new ATOM 0 HE3 LYS A 99 32.027 -18.110 9.782 1.00 3.14 H new ATOM 0 HZ1 LYS A 99 33.584 -18.635 8.299 1.00 4.07 H new ATOM 0 HZ2 LYS A 99 32.548 -19.877 7.782 1.00 4.07 H new ATOM 0 HZ3 LYS A 99 32.557 -18.386 6.970 1.00 4.07 H new ATOM 1480 N GLN A 100 27.406 -21.863 12.277 1.00 1.58 N ATOM 1481 CA GLN A 100 27.381 -22.439 13.617 1.00 1.72 C ATOM 1482 C GLN A 100 27.749 -23.917 13.552 1.00 1.81 C ATOM 1483 O GLN A 100 28.621 -24.388 14.283 1.00 1.95 O ATOM 1484 CB GLN A 100 25.997 -22.270 14.250 1.00 1.71 C ATOM 1485 CG GLN A 100 25.551 -20.819 14.372 1.00 1.93 C ATOM 1486 CD GLN A 100 25.474 -20.348 15.812 1.00 2.66 C ATOM 1487 OE1 GLN A 100 24.397 -20.039 16.320 1.00 3.23 O ATOM 1488 NE2 GLN A 100 26.622 -20.293 16.478 1.00 3.33 N ATOM 0 H GLN A 100 26.527 -21.437 11.984 1.00 1.58 H new ATOM 0 HA GLN A 100 28.110 -21.915 14.236 1.00 1.72 H new ATOM 0 HB2 GLN A 100 25.266 -22.816 13.654 1.00 1.71 H new ATOM 0 HB3 GLN A 100 26.003 -22.723 15.241 1.00 1.71 H new ATOM 0 HG2 GLN A 100 26.245 -20.183 13.823 1.00 1.93 H new ATOM 0 HG3 GLN A 100 24.574 -20.703 13.904 1.00 1.93 H new ATOM 0 HE21 GLN A 100 27.492 -20.559 16.017 1.00 3.33 H new ATOM 0 HE22 GLN A 100 26.633 -19.985 17.450 1.00 3.33 H new ATOM 1497 N LEU A 101 27.081 -24.639 12.659 1.00 1.77 N ATOM 1498 CA LEU A 101 27.333 -26.062 12.473 1.00 1.89 C ATOM 1499 C LEU A 101 28.808 -26.306 12.161 1.00 1.96 C ATOM 1500 O LEU A 101 29.447 -27.161 12.771 1.00 2.12 O ATOM 1501 CB LEU A 101 26.450 -26.606 11.343 1.00 1.86 C ATOM 1502 CG LEU A 101 26.867 -27.968 10.775 1.00 2.09 C ATOM 1503 CD1 LEU A 101 26.612 -29.072 11.791 1.00 2.56 C ATOM 1504 CD2 LEU A 101 26.125 -28.253 9.475 1.00 2.59 C ATOM 0 H LEU A 101 26.357 -24.259 12.050 1.00 1.77 H new ATOM 0 HA LEU A 101 27.087 -26.587 13.396 1.00 1.89 H new ATOM 0 HB2 LEU A 101 25.427 -26.683 11.711 1.00 1.86 H new ATOM 0 HB3 LEU A 101 26.443 -25.880 10.530 1.00 1.86 H new ATOM 0 HG LEU A 101 27.936 -27.940 10.562 1.00 2.09 H new ATOM 0 HD11 LEU A 101 26.914 -30.031 11.370 1.00 2.56 H new ATOM 0 HD12 LEU A 101 27.188 -28.875 12.695 1.00 2.56 H new ATOM 0 HD13 LEU A 101 25.551 -29.102 12.037 1.00 2.56 H new ATOM 0 HD21 LEU A 101 26.433 -29.223 9.086 1.00 2.59 H new ATOM 0 HD22 LEU A 101 25.051 -28.262 9.663 1.00 2.59 H new ATOM 0 HD23 LEU A 101 26.359 -27.478 8.745 1.00 2.59 H new ATOM 1516 N ALA A 102 29.342 -25.539 11.213 1.00 1.86 N ATOM 1517 CA ALA A 102 30.740 -25.659 10.818 1.00 1.95 C ATOM 1518 C ALA A 102 31.660 -25.512 12.024 1.00 2.09 C ATOM 1519 O ALA A 102 32.603 -26.283 12.196 1.00 2.24 O ATOM 1520 CB ALA A 102 31.082 -24.622 9.757 1.00 1.85 C ATOM 0 H ALA A 102 28.823 -24.825 10.703 1.00 1.86 H new ATOM 0 HA ALA A 102 30.891 -26.652 10.396 1.00 1.95 H new ATOM 0 HB1 ALA A 102 32.129 -24.724 9.472 1.00 1.85 H new ATOM 0 HB2 ALA A 102 30.451 -24.776 8.881 1.00 1.85 H new ATOM 0 HB3 ALA A 102 30.911 -23.622 10.157 1.00 1.85 H new ATOM 1526 N ALA A 103 31.383 -24.513 12.858 1.00 2.07 N ATOM 1527 CA ALA A 103 32.186 -24.276 14.049 1.00 2.24 C ATOM 1528 C ALA A 103 32.214 -25.521 14.927 1.00 2.38 C ATOM 1529 O ALA A 103 33.280 -25.984 15.335 1.00 2.56 O ATOM 1530 CB ALA A 103 31.650 -23.082 14.826 1.00 2.21 C ATOM 0 H ALA A 103 30.611 -23.858 12.730 1.00 2.07 H new ATOM 0 HA ALA A 103 33.207 -24.051 13.739 1.00 2.24 H new ATOM 0 HB1 ALA A 103 32.263 -22.920 15.713 1.00 2.21 H new ATOM 0 HB2 ALA A 103 31.682 -22.193 14.196 1.00 2.21 H new ATOM 0 HB3 ALA A 103 30.621 -23.276 15.127 1.00 2.21 H new ATOM 1536 N ALA A 104 31.031 -26.065 15.206 1.00 2.34 N ATOM 1537 CA ALA A 104 30.915 -27.267 16.024 1.00 2.50 C ATOM 1538 C ALA A 104 31.652 -28.432 15.372 1.00 2.58 C ATOM 1539 O ALA A 104 32.284 -29.244 16.049 1.00 2.74 O ATOM 1540 CB ALA A 104 29.450 -27.618 16.242 1.00 2.48 C ATOM 0 H ALA A 104 30.141 -25.692 14.877 1.00 2.34 H new ATOM 0 HA ALA A 104 31.373 -27.071 16.993 1.00 2.50 H new ATOM 0 HB1 ALA A 104 29.378 -28.517 16.854 1.00 2.48 H new ATOM 0 HB2 ALA A 104 28.950 -26.793 16.749 1.00 2.48 H new ATOM 0 HB3 ALA A 104 28.971 -27.796 15.279 1.00 2.48 H new ATOM 1546 N ARG A 105 31.562 -28.504 14.047 1.00 2.50 N ATOM 1547 CA ARG A 105 32.215 -29.558 13.283 1.00 2.60 C ATOM 1548 C ARG A 105 33.719 -29.550 13.545 1.00 2.72 C ATOM 1549 O ARG A 105 34.322 -30.595 13.773 1.00 2.88 O ATOM 1550 CB ARG A 105 31.920 -29.381 11.784 1.00 2.49 C ATOM 1551 CG ARG A 105 32.969 -29.979 10.852 1.00 2.62 C ATOM 1552 CD ARG A 105 32.936 -31.501 10.867 1.00 2.76 C ATOM 1553 NE ARG A 105 33.984 -32.084 10.032 1.00 3.19 N ATOM 1554 CZ ARG A 105 35.278 -32.048 10.338 1.00 3.86 C ATOM 1555 NH1 ARG A 105 35.684 -31.437 11.439 1.00 4.42 N ATOM 1556 NH2 ARG A 105 36.168 -32.625 9.542 1.00 4.39 N ATOM 0 H ARG A 105 31.039 -27.839 13.478 1.00 2.50 H new ATOM 0 HA ARG A 105 31.821 -30.523 13.601 1.00 2.60 H new ATOM 0 HB2 ARG A 105 30.955 -29.836 11.562 1.00 2.49 H new ATOM 0 HB3 ARG A 105 31.828 -28.316 11.569 1.00 2.49 H new ATOM 0 HG2 ARG A 105 32.799 -29.622 9.836 1.00 2.62 H new ATOM 0 HG3 ARG A 105 33.959 -29.634 11.150 1.00 2.62 H new ATOM 0 HD2 ARG A 105 33.051 -31.855 11.891 1.00 2.76 H new ATOM 0 HD3 ARG A 105 31.962 -31.845 10.518 1.00 2.76 H new ATOM 0 HE ARG A 105 33.707 -32.545 9.165 1.00 3.19 H new ATOM 0 HH11 ARG A 105 35.004 -30.992 12.056 1.00 4.42 H new ATOM 0 HH12 ARG A 105 36.677 -31.411 11.671 1.00 4.42 H new ATOM 0 HH21 ARG A 105 35.861 -33.098 8.692 1.00 4.39 H new ATOM 0 HH22 ARG A 105 37.160 -32.596 9.780 1.00 4.39 H new ATOM 1570 N GLY A 106 34.318 -28.364 13.512 1.00 2.67 N ATOM 1571 CA GLY A 106 35.748 -28.249 13.745 1.00 2.83 C ATOM 1572 C GLY A 106 36.127 -28.506 15.191 1.00 3.06 C ATOM 1573 O GLY A 106 37.236 -28.961 15.478 1.00 3.27 O ATOM 0 H GLY A 106 33.841 -27.481 13.329 1.00 2.67 H new ATOM 0 HA2 GLY A 106 36.275 -28.956 13.104 1.00 2.83 H new ATOM 0 HA3 GLY A 106 36.080 -27.251 13.458 1.00 2.83 H new ATOM 1577 N GLN A 107 35.208 -28.198 16.105 1.00 3.06 N ATOM 1578 CA GLN A 107 35.447 -28.382 17.533 1.00 3.32 C ATOM 1579 C GLN A 107 35.670 -29.851 17.880 1.00 3.48 C ATOM 1580 O GLN A 107 36.653 -30.199 18.535 1.00 3.75 O ATOM 1581 CB GLN A 107 34.271 -27.830 18.345 1.00 3.32 C ATOM 1582 CG GLN A 107 34.190 -26.310 18.350 1.00 3.59 C ATOM 1583 CD GLN A 107 34.841 -25.693 19.574 1.00 3.56 C ATOM 1584 OE1 GLN A 107 34.211 -25.552 20.621 1.00 3.65 O ATOM 1585 NE2 GLN A 107 36.110 -25.323 19.448 1.00 4.07 N ATOM 0 H GLN A 107 34.288 -27.819 15.879 1.00 3.06 H new ATOM 0 HA GLN A 107 36.353 -27.832 17.788 1.00 3.32 H new ATOM 0 HB2 GLN A 107 33.342 -28.233 17.942 1.00 3.32 H new ATOM 0 HB3 GLN A 107 34.353 -28.184 19.373 1.00 3.32 H new ATOM 0 HG2 GLN A 107 34.672 -25.922 17.453 1.00 3.59 H new ATOM 0 HG3 GLN A 107 33.144 -26.006 18.307 1.00 3.59 H new ATOM 0 HE21 GLN A 107 36.595 -25.458 18.561 1.00 4.07 H new ATOM 0 HE22 GLN A 107 36.600 -24.904 20.238 1.00 4.07 H new