USER MOD reduce.3.24.130724 H: found=0, std=0, add=732, rem=0, adj=24 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= -0.141 X(o=-0.92,f=-0.96) USER MOD Set 1.2: A 94 HIS :FLIP no HE2:sc= -0.782 X(o=-0.96,f=-0.92) USER MOD Set 2.1: A 81 LYS NZ :NH3+ 164:sc= -1.39 (180deg=-2.54) USER MOD Set 2.2: A 85 GLN : amide:sc= -0.715 K(o=-2.1,f=-9.6!) USER MOD Set 3.1: A 10 HIS : no HD1:sc= -2.24 X(o=-3.1,f=-2.8) USER MOD Set 3.2: A 11 GLN : amide:sc= -0.864 K(o=-3.1,f=-3.9!) USER MOD Single : A 16 MET CE :methyl -176:sc= -0.0492 (180deg=-0.1) USER MOD Single : A 21 SER OG : rot -54:sc= 0.633 USER MOD Single : A 24 LYS NZ :NH3+ 174:sc= -0.711 (180deg=-0.868) USER MOD Single : A 26 LYS NZ :NH3+ -161:sc= -0.88 (180deg=-2.76) USER MOD Single : A 27 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0989) USER MOD Single : A 31 SER OG : rot 180:sc= 0.0252 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= -0.477 X(o=-0.48,f=-0.32) USER MOD Single : A 44 ASN :FLIP amide:sc= -0.993 F(o=-3.2!,f=-0.99) USER MOD Single : A 47 LYS NZ :NH3+ -138:sc= 0.802 (180deg=0.0814) USER MOD Single : A 48 LYS NZ :NH3+ 155:sc= 0.161 (180deg=-0.908!) USER MOD Single : A 49 HIS : no HD1:sc= -3.73 K(o=-3.7,f=-9.9!) USER MOD Single : A 50 LYS NZ :NH3+ 152:sc= 0.428 (180deg=-0.628) USER MOD Single : A 59 HIS : no HE2:sc= -12.6! C(o=-13!,f=-21!) USER MOD Single : A 64 GLN : amide:sc= -1.99 X(o=-2,f=-1.7!) USER MOD Single : A 69 THR OG1 : rot 75:sc= 0.925 USER MOD Single : A 71 LYS NZ :NH3+ 157:sc= 0.224 (180deg=-0.685!) USER MOD Single : A 72 LYS NZ :NH3+ -148:sc= -0.0658 (180deg=-0.641) USER MOD Single : A 74 SER OG : rot -151:sc= -0.916 USER MOD Single : A 77 ASN :FLIP amide:sc= -0.914 F(o=-2.3!,f=-0.91) USER MOD Single : A 78 THR OG1 : rot -176:sc= -1.54! USER MOD Single : A 86 GLN :FLIP amide:sc= -0.258 F(o=-0.84,f=-0.26) USER MOD Single : A 96 LYS NZ :NH3+ -131:sc= 0.649 (180deg=-0.975) USER MOD Single : A 99 LYS NZ :NH3+ -136:sc= -0.493 (180deg=-1.13) USER MOD Single : A 100 GLN :FLIP amide:sc= -0.599 F(o=-2.6,f=-0.6) USER MOD Single : A 107 GLN : amide:sc= -0.187 K(o=-0.19,f=-2.2) USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 10 21.406 -7.807 -14.036 1.00 1.70 N ATOM 2 CA HIS A 10 21.030 -9.127 -14.541 1.00 1.73 C ATOM 3 C HIS A 10 22.100 -10.167 -14.221 1.00 1.58 C ATOM 4 O HIS A 10 21.782 -11.291 -13.831 1.00 1.52 O ATOM 5 CB HIS A 10 20.745 -9.078 -16.048 1.00 2.04 C ATOM 6 CG HIS A 10 21.956 -8.892 -16.913 1.00 2.54 C ATOM 7 ND1 HIS A 10 22.568 -9.913 -17.605 1.00 3.19 N ATOM 8 CD2 HIS A 10 22.648 -7.766 -17.221 1.00 3.29 C ATOM 9 CE1 HIS A 10 23.587 -9.389 -18.298 1.00 4.01 C ATOM 10 NE2 HIS A 10 23.678 -8.088 -18.099 1.00 4.11 N ATOM 0 HA HIS A 10 20.113 -9.427 -14.034 1.00 1.73 H new ATOM 0 HB2 HIS A 10 20.247 -10.003 -16.339 1.00 2.04 H new ATOM 0 HB3 HIS A 10 20.047 -8.264 -16.245 1.00 2.04 H new ATOM 0 HD2 HIS A 10 22.433 -6.777 -16.844 1.00 3.29 H new ATOM 0 HE1 HIS A 10 24.248 -9.957 -18.936 1.00 4.01 H new ATOM 0 HE2 HIS A 10 24.362 -7.450 -18.505 1.00 4.11 H new ATOM 18 N GLN A 11 23.366 -9.790 -14.370 1.00 1.60 N ATOM 19 CA GLN A 11 24.461 -10.701 -14.069 1.00 1.56 C ATOM 20 C GLN A 11 24.491 -11.002 -12.579 1.00 1.29 C ATOM 21 O GLN A 11 24.731 -12.137 -12.168 1.00 1.26 O ATOM 22 CB GLN A 11 25.800 -10.112 -14.513 1.00 1.75 C ATOM 23 CG GLN A 11 25.954 -10.012 -16.022 1.00 2.28 C ATOM 24 CD GLN A 11 25.820 -11.356 -16.718 1.00 3.08 C ATOM 25 OE1 GLN A 11 24.729 -11.755 -17.123 1.00 3.64 O ATOM 26 NE2 GLN A 11 26.934 -12.064 -16.851 1.00 3.73 N ATOM 0 H GLN A 11 23.656 -8.868 -14.695 1.00 1.60 H new ATOM 0 HA GLN A 11 24.297 -11.628 -14.619 1.00 1.56 H new ATOM 0 HB2 GLN A 11 25.912 -9.118 -14.079 1.00 1.75 H new ATOM 0 HB3 GLN A 11 26.607 -10.727 -14.114 1.00 1.75 H new ATOM 0 HG2 GLN A 11 25.202 -9.328 -16.415 1.00 2.28 H new ATOM 0 HG3 GLN A 11 26.928 -9.583 -16.256 1.00 2.28 H new ATOM 0 HE21 GLN A 11 27.818 -11.695 -16.500 1.00 3.73 H new ATOM 0 HE22 GLN A 11 26.907 -12.978 -17.304 1.00 3.73 H new ATOM 35 N PHE A 12 24.240 -9.977 -11.767 1.00 1.14 N ATOM 36 CA PHE A 12 24.236 -10.139 -10.322 1.00 0.98 C ATOM 37 C PHE A 12 23.303 -11.276 -9.927 1.00 0.94 C ATOM 38 O PHE A 12 23.691 -12.175 -9.184 1.00 0.91 O ATOM 39 CB PHE A 12 23.807 -8.841 -9.631 1.00 0.98 C ATOM 40 CG PHE A 12 23.401 -9.037 -8.197 1.00 0.86 C ATOM 41 CD1 PHE A 12 24.355 -9.230 -7.212 1.00 0.83 C ATOM 42 CD2 PHE A 12 22.065 -9.009 -7.834 1.00 0.86 C ATOM 43 CE1 PHE A 12 23.983 -9.397 -5.893 1.00 0.77 C ATOM 44 CE2 PHE A 12 21.690 -9.175 -6.517 1.00 0.82 C ATOM 45 CZ PHE A 12 22.656 -9.429 -5.551 1.00 0.76 C ATOM 0 H PHE A 12 24.038 -9.030 -12.088 1.00 1.14 H new ATOM 0 HA PHE A 12 25.249 -10.381 -10.000 1.00 0.98 H new ATOM 0 HB2 PHE A 12 24.628 -8.126 -9.674 1.00 0.98 H new ATOM 0 HB3 PHE A 12 22.974 -8.403 -10.181 1.00 0.98 H new ATOM 0 HD1 PHE A 12 25.401 -9.250 -7.478 1.00 0.83 H new ATOM 0 HD2 PHE A 12 21.309 -8.856 -8.590 1.00 0.86 H new ATOM 0 HE1 PHE A 12 24.739 -9.503 -5.129 1.00 0.77 H new ATOM 0 HE2 PHE A 12 20.649 -9.108 -6.238 1.00 0.82 H new ATOM 0 HZ PHE A 12 22.363 -9.651 -4.535 1.00 0.76 H new ATOM 55 N PHE A 13 22.073 -11.238 -10.437 1.00 1.03 N ATOM 56 CA PHE A 13 21.099 -12.277 -10.131 1.00 1.16 C ATOM 57 C PHE A 13 21.686 -13.653 -10.417 1.00 1.12 C ATOM 58 O PHE A 13 21.675 -14.532 -9.555 1.00 1.08 O ATOM 59 CB PHE A 13 19.812 -12.072 -10.936 1.00 1.42 C ATOM 60 CG PHE A 13 18.677 -11.564 -10.096 1.00 1.67 C ATOM 61 CD1 PHE A 13 18.149 -12.338 -9.076 1.00 2.16 C ATOM 62 CD2 PHE A 13 18.125 -10.316 -10.343 1.00 1.91 C ATOM 63 CE1 PHE A 13 17.092 -11.878 -8.318 1.00 2.70 C ATOM 64 CE2 PHE A 13 17.069 -9.852 -9.584 1.00 2.42 C ATOM 65 CZ PHE A 13 16.604 -10.614 -8.513 1.00 2.77 C ATOM 0 H PHE A 13 21.732 -10.505 -11.058 1.00 1.03 H new ATOM 0 HA PHE A 13 20.853 -12.212 -9.071 1.00 1.16 H new ATOM 0 HB2 PHE A 13 20.003 -11.367 -11.745 1.00 1.42 H new ATOM 0 HB3 PHE A 13 19.523 -13.016 -11.397 1.00 1.42 H new ATOM 0 HD1 PHE A 13 18.569 -13.312 -8.872 1.00 2.16 H new ATOM 0 HD2 PHE A 13 18.525 -9.702 -11.136 1.00 1.91 H new ATOM 0 HE1 PHE A 13 16.648 -12.517 -7.569 1.00 2.70 H new ATOM 0 HE2 PHE A 13 16.606 -8.905 -9.818 1.00 2.42 H new ATOM 0 HZ PHE A 13 15.862 -10.209 -7.840 1.00 2.77 H new ATOM 75 N ARG A 14 22.213 -13.827 -11.627 1.00 1.21 N ATOM 76 CA ARG A 14 22.824 -15.093 -12.016 1.00 1.30 C ATOM 77 C ARG A 14 23.850 -15.520 -10.972 1.00 1.14 C ATOM 78 O ARG A 14 23.787 -16.628 -10.443 1.00 1.12 O ATOM 79 CB ARG A 14 23.472 -14.966 -13.402 1.00 1.55 C ATOM 80 CG ARG A 14 24.268 -16.190 -13.833 1.00 1.71 C ATOM 81 CD ARG A 14 25.668 -15.812 -14.296 1.00 2.48 C ATOM 82 NE ARG A 14 26.646 -15.936 -13.218 1.00 2.80 N ATOM 83 CZ ARG A 14 27.515 -14.988 -12.878 1.00 3.53 C ATOM 84 NH1 ARG A 14 27.534 -13.823 -13.513 1.00 4.35 N ATOM 85 NH2 ARG A 14 28.366 -15.205 -11.888 1.00 3.79 N ATOM 0 H ARG A 14 22.229 -13.109 -12.352 1.00 1.21 H new ATOM 0 HA ARG A 14 22.051 -15.860 -12.072 1.00 1.30 H new ATOM 0 HB2 ARG A 14 22.692 -14.776 -14.139 1.00 1.55 H new ATOM 0 HB3 ARG A 14 24.132 -14.098 -13.404 1.00 1.55 H new ATOM 0 HG2 ARG A 14 24.336 -16.892 -13.002 1.00 1.71 H new ATOM 0 HG3 ARG A 14 23.743 -16.701 -14.640 1.00 1.71 H new ATOM 0 HD2 ARG A 14 25.961 -16.452 -15.128 1.00 2.48 H new ATOM 0 HD3 ARG A 14 25.664 -14.787 -14.668 1.00 2.48 H new ATOM 0 HE ARG A 14 26.664 -16.809 -12.690 1.00 2.80 H new ATOM 0 HH11 ARG A 14 26.877 -13.645 -14.272 1.00 4.35 H new ATOM 0 HH12 ARG A 14 28.206 -13.105 -13.242 1.00 4.35 H new ATOM 0 HH21 ARG A 14 28.353 -16.095 -11.390 1.00 3.79 H new ATOM 0 HH22 ARG A 14 29.035 -14.482 -11.623 1.00 3.79 H new ATOM 99 N ASP A 15 24.785 -14.625 -10.664 1.00 1.12 N ATOM 100 CA ASP A 15 25.808 -14.905 -9.660 1.00 1.14 C ATOM 101 C ASP A 15 25.152 -15.385 -8.368 1.00 1.00 C ATOM 102 O ASP A 15 25.483 -16.447 -7.847 1.00 1.05 O ATOM 103 CB ASP A 15 26.646 -13.650 -9.387 1.00 1.29 C ATOM 104 CG ASP A 15 25.856 -12.363 -9.546 1.00 1.49 C ATOM 105 OD1 ASP A 15 25.458 -12.045 -10.687 1.00 1.84 O ATOM 106 OD2 ASP A 15 25.645 -11.670 -8.530 1.00 2.10 O ATOM 0 H ASP A 15 24.856 -13.703 -11.094 1.00 1.12 H new ATOM 0 HA ASP A 15 26.465 -15.688 -10.039 1.00 1.14 H new ATOM 0 HB2 ASP A 15 27.047 -13.701 -8.375 1.00 1.29 H new ATOM 0 HB3 ASP A 15 27.498 -13.633 -10.067 1.00 1.29 H new ATOM 111 N MET A 16 24.207 -14.594 -7.868 1.00 0.93 N ATOM 112 CA MET A 16 23.486 -14.924 -6.643 1.00 0.98 C ATOM 113 C MET A 16 22.949 -16.351 -6.703 1.00 0.88 C ATOM 114 O MET A 16 23.178 -17.156 -5.798 1.00 0.88 O ATOM 115 CB MET A 16 22.332 -13.939 -6.423 1.00 1.15 C ATOM 116 CG MET A 16 22.413 -13.175 -5.109 1.00 1.45 C ATOM 117 SD MET A 16 20.973 -13.446 -4.058 1.00 1.92 S ATOM 118 CE MET A 16 21.662 -14.517 -2.799 1.00 2.23 C ATOM 0 H MET A 16 23.921 -13.713 -8.296 1.00 0.93 H new ATOM 0 HA MET A 16 24.181 -14.848 -5.806 1.00 0.98 H new ATOM 0 HB2 MET A 16 22.315 -13.225 -7.246 1.00 1.15 H new ATOM 0 HB3 MET A 16 21.390 -14.486 -6.456 1.00 1.15 H new ATOM 0 HG2 MET A 16 23.312 -13.478 -4.572 1.00 1.45 H new ATOM 0 HG3 MET A 16 22.510 -12.110 -5.318 1.00 1.45 H new ATOM 0 HE1 MET A 16 20.873 -14.829 -2.115 1.00 2.23 H new ATOM 0 HE2 MET A 16 22.102 -15.396 -3.270 1.00 2.23 H new ATOM 0 HE3 MET A 16 22.431 -13.979 -2.245 1.00 2.23 H new ATOM 128 N ASP A 17 22.232 -16.659 -7.781 1.00 0.91 N ATOM 129 CA ASP A 17 21.662 -17.986 -7.967 1.00 0.97 C ATOM 130 C ASP A 17 22.744 -19.053 -7.844 1.00 0.88 C ATOM 131 O ASP A 17 22.604 -20.004 -7.074 1.00 0.86 O ATOM 132 CB ASP A 17 20.971 -18.089 -9.331 1.00 1.19 C ATOM 133 CG ASP A 17 19.995 -16.951 -9.579 1.00 1.80 C ATOM 134 OD1 ASP A 17 19.284 -16.560 -8.629 1.00 2.44 O ATOM 135 OD2 ASP A 17 19.942 -16.451 -10.722 1.00 2.46 O ATOM 0 H ASP A 17 22.033 -16.005 -8.538 1.00 0.91 H new ATOM 0 HA ASP A 17 20.918 -18.151 -7.187 1.00 0.97 H new ATOM 0 HB2 ASP A 17 21.726 -18.093 -10.117 1.00 1.19 H new ATOM 0 HB3 ASP A 17 20.440 -19.039 -9.394 1.00 1.19 H new ATOM 140 N ASP A 18 23.831 -18.886 -8.594 1.00 0.95 N ATOM 141 CA ASP A 18 24.934 -19.835 -8.553 1.00 1.09 C ATOM 142 C ASP A 18 25.395 -20.065 -7.120 1.00 1.01 C ATOM 143 O ASP A 18 25.674 -21.194 -6.728 1.00 1.05 O ATOM 144 CB ASP A 18 26.102 -19.342 -9.411 1.00 1.33 C ATOM 145 CG ASP A 18 25.698 -19.022 -10.839 1.00 1.90 C ATOM 146 OD1 ASP A 18 24.698 -19.597 -11.322 1.00 2.49 O ATOM 147 OD2 ASP A 18 26.382 -18.195 -11.476 1.00 2.48 O ATOM 0 H ASP A 18 23.969 -18.104 -9.234 1.00 0.95 H new ATOM 0 HA ASP A 18 24.579 -20.783 -8.959 1.00 1.09 H new ATOM 0 HB2 ASP A 18 26.531 -18.451 -8.953 1.00 1.33 H new ATOM 0 HB3 ASP A 18 26.883 -20.102 -9.422 1.00 1.33 H new ATOM 152 N GLU A 19 25.465 -18.990 -6.339 1.00 1.02 N ATOM 153 CA GLU A 19 25.883 -19.090 -4.944 1.00 1.12 C ATOM 154 C GLU A 19 24.862 -19.894 -4.145 1.00 0.89 C ATOM 155 O GLU A 19 25.202 -20.896 -3.515 1.00 0.88 O ATOM 156 CB GLU A 19 26.059 -17.704 -4.323 1.00 1.38 C ATOM 157 CG GLU A 19 26.662 -16.674 -5.266 1.00 2.04 C ATOM 158 CD GLU A 19 27.900 -16.010 -4.694 1.00 2.53 C ATOM 159 OE1 GLU A 19 27.769 -15.264 -3.701 1.00 3.02 O ATOM 160 OE2 GLU A 19 29.000 -16.234 -5.239 1.00 3.07 O ATOM 0 H GLU A 19 25.239 -18.044 -6.647 1.00 1.02 H new ATOM 0 HA GLU A 19 26.845 -19.603 -4.915 1.00 1.12 H new ATOM 0 HB2 GLU A 19 25.088 -17.344 -3.982 1.00 1.38 H new ATOM 0 HB3 GLU A 19 26.695 -17.790 -3.442 1.00 1.38 H new ATOM 0 HG2 GLU A 19 26.917 -17.157 -6.210 1.00 2.04 H new ATOM 0 HG3 GLU A 19 25.916 -15.911 -5.489 1.00 2.04 H new ATOM 167 N GLU A 20 23.608 -19.446 -4.169 1.00 0.84 N ATOM 168 CA GLU A 20 22.541 -20.145 -3.460 1.00 0.84 C ATOM 169 C GLU A 20 22.623 -21.644 -3.728 1.00 0.73 C ATOM 170 O GLU A 20 22.491 -22.452 -2.812 1.00 0.78 O ATOM 171 CB GLU A 20 21.167 -19.607 -3.874 1.00 1.03 C ATOM 172 CG GLU A 20 21.105 -18.089 -3.969 1.00 1.61 C ATOM 173 CD GLU A 20 20.115 -17.470 -3.001 1.00 1.98 C ATOM 174 OE1 GLU A 20 20.368 -17.519 -1.778 1.00 2.50 O ATOM 175 OE2 GLU A 20 19.086 -16.936 -3.466 1.00 2.49 O ATOM 0 H GLU A 20 23.309 -18.608 -4.668 1.00 0.84 H new ATOM 0 HA GLU A 20 22.669 -19.970 -2.392 1.00 0.84 H new ATOM 0 HB2 GLU A 20 20.896 -20.034 -4.840 1.00 1.03 H new ATOM 0 HB3 GLU A 20 20.422 -19.948 -3.155 1.00 1.03 H new ATOM 0 HG2 GLU A 20 22.096 -17.679 -3.777 1.00 1.61 H new ATOM 0 HG3 GLU A 20 20.834 -17.806 -4.986 1.00 1.61 H new ATOM 182 N SER A 21 22.871 -22.018 -4.981 1.00 0.75 N ATOM 183 CA SER A 21 22.999 -23.428 -5.324 1.00 0.89 C ATOM 184 C SER A 21 24.314 -23.974 -4.775 1.00 0.84 C ATOM 185 O SER A 21 24.367 -25.080 -4.244 1.00 0.91 O ATOM 186 CB SER A 21 22.938 -23.620 -6.842 1.00 1.14 C ATOM 187 OG SER A 21 22.221 -24.794 -7.180 1.00 1.59 O ATOM 0 H SER A 21 22.986 -21.374 -5.764 1.00 0.75 H new ATOM 0 HA SER A 21 22.170 -23.976 -4.876 1.00 0.89 H new ATOM 0 HB2 SER A 21 22.462 -22.754 -7.302 1.00 1.14 H new ATOM 0 HB3 SER A 21 23.949 -23.679 -7.245 1.00 1.14 H new ATOM 0 HG SER A 21 22.611 -25.562 -6.712 1.00 1.59 H new ATOM 193 N TRP A 22 25.366 -23.170 -4.895 1.00 0.91 N ATOM 194 CA TRP A 22 26.697 -23.537 -4.417 1.00 1.05 C ATOM 195 C TRP A 22 26.686 -23.896 -2.940 1.00 0.87 C ATOM 196 O TRP A 22 27.368 -24.824 -2.533 1.00 0.92 O ATOM 197 CB TRP A 22 27.671 -22.385 -4.674 1.00 1.38 C ATOM 198 CG TRP A 22 28.942 -22.437 -3.875 1.00 1.53 C ATOM 199 CD1 TRP A 22 30.089 -23.103 -4.202 1.00 2.19 C ATOM 200 CD2 TRP A 22 29.204 -21.782 -2.627 1.00 1.39 C ATOM 201 NE1 TRP A 22 31.047 -22.886 -3.243 1.00 2.16 N ATOM 202 CE2 TRP A 22 30.529 -22.081 -2.276 1.00 1.65 C ATOM 203 CE3 TRP A 22 28.455 -20.966 -1.772 1.00 1.73 C ATOM 204 CZ2 TRP A 22 31.118 -21.595 -1.126 1.00 1.79 C ATOM 205 CZ3 TRP A 22 29.044 -20.490 -0.627 1.00 2.24 C ATOM 206 CH2 TRP A 22 30.364 -20.802 -0.316 1.00 2.11 C ATOM 0 H TRP A 22 25.321 -22.246 -5.326 1.00 0.91 H new ATOM 0 HA TRP A 22 27.021 -24.421 -4.966 1.00 1.05 H new ATOM 0 HB2 TRP A 22 27.926 -22.375 -5.734 1.00 1.38 H new ATOM 0 HB3 TRP A 22 27.163 -21.445 -4.459 1.00 1.38 H new ATOM 0 HD1 TRP A 22 30.222 -23.711 -5.085 1.00 2.19 H new ATOM 0 HE1 TRP A 22 31.993 -23.266 -3.254 1.00 2.16 H new ATOM 0 HE3 TRP A 22 27.432 -20.715 -2.009 1.00 1.73 H new ATOM 0 HZ2 TRP A 22 32.141 -21.835 -0.878 1.00 1.79 H new ATOM 0 HZ3 TRP A 22 28.474 -19.863 0.043 1.00 2.24 H new ATOM 0 HH2 TRP A 22 30.800 -20.406 0.589 1.00 2.11 H new ATOM 217 N ILE A 23 25.933 -23.157 -2.129 1.00 0.80 N ATOM 218 CA ILE A 23 25.882 -23.455 -0.704 1.00 0.90 C ATOM 219 C ILE A 23 25.255 -24.827 -0.469 1.00 0.87 C ATOM 220 O ILE A 23 25.847 -25.677 0.190 1.00 0.95 O ATOM 221 CB ILE A 23 25.138 -22.368 0.116 1.00 1.16 C ATOM 222 CG1 ILE A 23 25.622 -22.377 1.570 1.00 1.34 C ATOM 223 CG2 ILE A 23 23.631 -22.566 0.066 1.00 1.46 C ATOM 224 CD1 ILE A 23 27.059 -21.934 1.742 1.00 1.92 C ATOM 0 H ILE A 23 25.363 -22.366 -2.427 1.00 0.80 H new ATOM 0 HA ILE A 23 26.912 -23.463 -0.348 1.00 0.90 H new ATOM 0 HB ILE A 23 25.364 -21.400 -0.332 1.00 1.16 H new ATOM 0 HG12 ILE A 23 24.978 -21.725 2.161 1.00 1.34 H new ATOM 0 HG13 ILE A 23 25.512 -23.384 1.973 1.00 1.34 H new ATOM 0 HG21 ILE A 23 23.142 -21.787 0.651 1.00 1.46 H new ATOM 0 HG22 ILE A 23 23.291 -22.511 -0.968 1.00 1.46 H new ATOM 0 HG23 ILE A 23 23.378 -23.542 0.479 1.00 1.46 H new ATOM 0 HD11 ILE A 23 27.326 -21.968 2.798 1.00 1.92 H new ATOM 0 HD12 ILE A 23 27.715 -22.600 1.180 1.00 1.92 H new ATOM 0 HD13 ILE A 23 27.173 -20.915 1.371 1.00 1.92 H new ATOM 236 N LYS A 24 24.074 -25.056 -1.036 1.00 0.92 N ATOM 237 CA LYS A 24 23.402 -26.344 -0.890 1.00 1.18 C ATOM 238 C LYS A 24 24.304 -27.475 -1.379 1.00 1.21 C ATOM 239 O LYS A 24 24.405 -28.526 -0.743 1.00 1.38 O ATOM 240 CB LYS A 24 22.084 -26.342 -1.674 1.00 1.40 C ATOM 241 CG LYS A 24 21.096 -27.414 -1.229 1.00 2.00 C ATOM 242 CD LYS A 24 21.335 -28.740 -1.943 1.00 2.68 C ATOM 243 CE LYS A 24 20.484 -28.871 -3.197 1.00 3.24 C ATOM 244 NZ LYS A 24 20.681 -27.728 -4.132 1.00 3.58 N ATOM 0 H LYS A 24 23.565 -24.372 -1.597 1.00 0.92 H new ATOM 0 HA LYS A 24 23.185 -26.506 0.166 1.00 1.18 H new ATOM 0 HB2 LYS A 24 21.614 -25.364 -1.571 1.00 1.40 H new ATOM 0 HB3 LYS A 24 22.303 -26.481 -2.733 1.00 1.40 H new ATOM 0 HG2 LYS A 24 21.181 -27.561 -0.152 1.00 2.00 H new ATOM 0 HG3 LYS A 24 20.079 -27.074 -1.425 1.00 2.00 H new ATOM 0 HD2 LYS A 24 22.389 -28.824 -2.209 1.00 2.68 H new ATOM 0 HD3 LYS A 24 21.111 -29.563 -1.265 1.00 2.68 H new ATOM 0 HE2 LYS A 24 20.732 -29.802 -3.707 1.00 3.24 H new ATOM 0 HE3 LYS A 24 19.433 -28.931 -2.916 1.00 3.24 H new ATOM 0 HZ1 LYS A 24 20.161 -27.908 -5.015 1.00 3.58 H new ATOM 0 HZ2 LYS A 24 20.325 -26.855 -3.693 1.00 3.58 H new ATOM 0 HZ3 LYS A 24 21.694 -27.622 -4.342 1.00 3.58 H new ATOM 258 N GLU A 25 24.956 -27.245 -2.511 1.00 1.18 N ATOM 259 CA GLU A 25 25.851 -28.232 -3.102 1.00 1.40 C ATOM 260 C GLU A 25 27.122 -28.383 -2.276 1.00 1.37 C ATOM 261 O GLU A 25 27.650 -29.487 -2.129 1.00 1.59 O ATOM 262 CB GLU A 25 26.196 -27.824 -4.538 1.00 1.58 C ATOM 263 CG GLU A 25 25.300 -28.466 -5.586 1.00 2.34 C ATOM 264 CD GLU A 25 23.828 -28.195 -5.339 1.00 2.86 C ATOM 265 OE1 GLU A 25 23.326 -27.153 -5.811 1.00 3.26 O ATOM 266 OE2 GLU A 25 23.176 -29.023 -4.668 1.00 3.45 O ATOM 0 H GLU A 25 24.881 -26.377 -3.042 1.00 1.18 H new ATOM 0 HA GLU A 25 25.342 -29.196 -3.114 1.00 1.40 H new ATOM 0 HB2 GLU A 25 26.124 -26.740 -4.626 1.00 1.58 H new ATOM 0 HB3 GLU A 25 27.232 -28.093 -4.744 1.00 1.58 H new ATOM 0 HG2 GLU A 25 25.574 -28.091 -6.572 1.00 2.34 H new ATOM 0 HG3 GLU A 25 25.471 -29.542 -5.595 1.00 2.34 H new ATOM 273 N LYS A 26 27.610 -27.271 -1.736 1.00 1.19 N ATOM 274 CA LYS A 26 28.817 -27.289 -0.927 1.00 1.29 C ATOM 275 C LYS A 26 28.561 -28.028 0.383 1.00 1.31 C ATOM 276 O LYS A 26 29.386 -28.831 0.813 1.00 1.49 O ATOM 277 CB LYS A 26 29.341 -25.865 -0.679 1.00 1.34 C ATOM 278 CG LYS A 26 30.474 -25.806 0.333 1.00 1.63 C ATOM 279 CD LYS A 26 31.775 -26.340 -0.253 1.00 2.01 C ATOM 280 CE LYS A 26 32.716 -26.852 0.829 1.00 2.27 C ATOM 281 NZ LYS A 26 32.518 -28.303 1.102 1.00 2.77 N ATOM 0 H LYS A 26 27.187 -26.349 -1.845 1.00 1.19 H new ATOM 0 HA LYS A 26 29.593 -27.825 -1.474 1.00 1.29 H new ATOM 0 HB2 LYS A 26 29.685 -25.443 -1.623 1.00 1.34 H new ATOM 0 HB3 LYS A 26 28.519 -25.239 -0.330 1.00 1.34 H new ATOM 0 HG2 LYS A 26 30.617 -24.776 0.661 1.00 1.63 H new ATOM 0 HG3 LYS A 26 30.206 -26.387 1.215 1.00 1.63 H new ATOM 0 HD2 LYS A 26 31.554 -27.146 -0.953 1.00 2.01 H new ATOM 0 HD3 LYS A 26 32.269 -25.551 -0.820 1.00 2.01 H new ATOM 0 HE2 LYS A 26 33.748 -26.678 0.524 1.00 2.27 H new ATOM 0 HE3 LYS A 26 32.556 -26.286 1.746 1.00 2.27 H new ATOM 0 HZ1 LYS A 26 32.923 -28.540 2.030 1.00 2.77 H new ATOM 0 HZ2 LYS A 26 31.501 -28.521 1.102 1.00 2.77 H new ATOM 0 HZ3 LYS A 26 32.992 -28.863 0.365 1.00 2.77 H new ATOM 295 N LYS A 27 27.399 -27.783 0.997 1.00 1.25 N ATOM 296 CA LYS A 27 27.041 -28.458 2.239 1.00 1.48 C ATOM 297 C LYS A 27 27.159 -29.968 2.062 1.00 1.65 C ATOM 298 O LYS A 27 27.735 -30.665 2.898 1.00 1.84 O ATOM 299 CB LYS A 27 25.612 -28.087 2.650 1.00 1.61 C ATOM 300 CG LYS A 27 25.265 -28.480 4.080 1.00 2.10 C ATOM 301 CD LYS A 27 24.639 -29.867 4.148 1.00 2.50 C ATOM 302 CE LYS A 27 24.950 -30.557 5.467 1.00 3.05 C ATOM 303 NZ LYS A 27 24.545 -29.728 6.636 1.00 3.62 N ATOM 0 H LYS A 27 26.698 -27.126 0.654 1.00 1.25 H new ATOM 0 HA LYS A 27 27.725 -28.138 3.025 1.00 1.48 H new ATOM 0 HB2 LYS A 27 25.478 -27.011 2.535 1.00 1.61 H new ATOM 0 HB3 LYS A 27 24.911 -28.570 1.969 1.00 1.61 H new ATOM 0 HG2 LYS A 27 26.166 -28.457 4.692 1.00 2.10 H new ATOM 0 HG3 LYS A 27 24.575 -27.749 4.501 1.00 2.10 H new ATOM 0 HD2 LYS A 27 23.559 -29.786 4.025 1.00 2.50 H new ATOM 0 HD3 LYS A 27 25.009 -30.475 3.322 1.00 2.50 H new ATOM 0 HE2 LYS A 27 24.434 -31.516 5.506 1.00 3.05 H new ATOM 0 HE3 LYS A 27 26.018 -30.768 5.524 1.00 3.05 H new ATOM 0 HZ1 LYS A 27 24.582 -30.305 7.500 1.00 3.62 H new ATOM 0 HZ2 LYS A 27 25.194 -28.921 6.730 1.00 3.62 H new ATOM 0 HZ3 LYS A 27 23.576 -29.379 6.495 1.00 3.62 H new ATOM 317 N LEU A 28 26.615 -30.471 0.955 1.00 1.65 N ATOM 318 CA LEU A 28 26.668 -31.896 0.659 1.00 1.92 C ATOM 319 C LEU A 28 28.118 -32.354 0.530 1.00 1.96 C ATOM 320 O LEU A 28 28.487 -33.437 0.989 1.00 2.16 O ATOM 321 CB LEU A 28 25.905 -32.197 -0.634 1.00 2.05 C ATOM 322 CG LEU A 28 25.656 -33.681 -0.914 1.00 2.51 C ATOM 323 CD1 LEU A 28 24.641 -34.252 0.068 1.00 3.19 C ATOM 324 CD2 LEU A 28 25.189 -33.882 -2.349 1.00 2.78 C ATOM 0 H LEU A 28 26.134 -29.911 0.251 1.00 1.65 H new ATOM 0 HA LEU A 28 26.199 -32.440 1.479 1.00 1.92 H new ATOM 0 HB2 LEU A 28 24.944 -31.684 -0.597 1.00 2.05 H new ATOM 0 HB3 LEU A 28 26.460 -31.774 -1.471 1.00 2.05 H new ATOM 0 HG LEU A 28 26.595 -34.217 -0.781 1.00 2.51 H new ATOM 0 HD11 LEU A 28 24.479 -35.308 -0.149 1.00 3.19 H new ATOM 0 HD12 LEU A 28 25.018 -34.144 1.085 1.00 3.19 H new ATOM 0 HD13 LEU A 28 23.699 -33.713 -0.028 1.00 3.19 H new ATOM 0 HD21 LEU A 28 25.017 -34.943 -2.530 1.00 2.78 H new ATOM 0 HD22 LEU A 28 24.262 -33.331 -2.511 1.00 2.78 H new ATOM 0 HD23 LEU A 28 25.953 -33.516 -3.035 1.00 2.78 H new ATOM 336 N LEU A 29 28.939 -31.516 -0.095 1.00 1.84 N ATOM 337 CA LEU A 29 30.350 -31.829 -0.282 1.00 2.00 C ATOM 338 C LEU A 29 31.034 -32.029 1.067 1.00 2.03 C ATOM 339 O LEU A 29 31.783 -32.983 1.256 1.00 2.24 O ATOM 340 CB LEU A 29 31.045 -30.715 -1.071 1.00 2.00 C ATOM 341 CG LEU A 29 32.090 -31.192 -2.086 1.00 2.43 C ATOM 342 CD1 LEU A 29 31.426 -31.972 -3.214 1.00 3.08 C ATOM 343 CD2 LEU A 29 32.877 -30.012 -2.639 1.00 3.02 C ATOM 0 H LEU A 29 28.651 -30.616 -0.480 1.00 1.84 H new ATOM 0 HA LEU A 29 30.426 -32.756 -0.851 1.00 2.00 H new ATOM 0 HB2 LEU A 29 30.286 -30.137 -1.598 1.00 2.00 H new ATOM 0 HB3 LEU A 29 31.528 -30.039 -0.366 1.00 2.00 H new ATOM 0 HG LEU A 29 32.786 -31.857 -1.575 1.00 2.43 H new ATOM 0 HD11 LEU A 29 32.185 -32.302 -3.924 1.00 3.08 H new ATOM 0 HD12 LEU A 29 30.912 -32.841 -2.802 1.00 3.08 H new ATOM 0 HD13 LEU A 29 30.706 -31.332 -3.724 1.00 3.08 H new ATOM 0 HD21 LEU A 29 33.614 -30.371 -3.358 1.00 3.02 H new ATOM 0 HD22 LEU A 29 32.195 -29.320 -3.133 1.00 3.02 H new ATOM 0 HD23 LEU A 29 33.386 -29.500 -1.823 1.00 3.02 H new ATOM 355 N VAL A 30 30.758 -31.128 2.008 1.00 1.90 N ATOM 356 CA VAL A 30 31.339 -31.218 3.345 1.00 2.05 C ATOM 357 C VAL A 30 31.092 -32.598 3.939 1.00 2.27 C ATOM 358 O VAL A 30 31.999 -33.225 4.483 1.00 2.48 O ATOM 359 CB VAL A 30 30.757 -30.155 4.302 1.00 2.03 C ATOM 360 CG1 VAL A 30 31.403 -30.264 5.677 1.00 2.35 C ATOM 361 CG2 VAL A 30 30.936 -28.755 3.736 1.00 2.26 C ATOM 0 H VAL A 30 30.138 -30.330 1.870 1.00 1.90 H new ATOM 0 HA VAL A 30 32.409 -31.039 3.237 1.00 2.05 H new ATOM 0 HB VAL A 30 29.688 -30.342 4.406 1.00 2.03 H new ATOM 0 HG11 VAL A 30 30.981 -29.507 6.338 1.00 2.35 H new ATOM 0 HG12 VAL A 30 31.213 -31.254 6.091 1.00 2.35 H new ATOM 0 HG13 VAL A 30 32.478 -30.108 5.587 1.00 2.35 H new ATOM 0 HG21 VAL A 30 30.517 -28.026 4.430 1.00 2.26 H new ATOM 0 HG22 VAL A 30 31.998 -28.553 3.594 1.00 2.26 H new ATOM 0 HG23 VAL A 30 30.421 -28.681 2.778 1.00 2.26 H new ATOM 371 N SER A 31 29.849 -33.059 3.830 1.00 2.30 N ATOM 372 CA SER A 31 29.466 -34.364 4.355 1.00 2.61 C ATOM 373 C SER A 31 30.338 -35.470 3.763 1.00 2.74 C ATOM 374 O SER A 31 30.648 -36.455 4.435 1.00 3.01 O ATOM 375 CB SER A 31 27.990 -34.642 4.053 1.00 2.70 C ATOM 376 OG SER A 31 27.203 -33.472 4.219 1.00 2.71 O ATOM 0 H SER A 31 29.089 -32.546 3.382 1.00 2.30 H new ATOM 0 HA SER A 31 29.615 -34.352 5.435 1.00 2.61 H new ATOM 0 HB2 SER A 31 27.888 -35.010 3.032 1.00 2.70 H new ATOM 0 HB3 SER A 31 27.623 -35.427 4.713 1.00 2.70 H new ATOM 0 HG SER A 31 26.266 -33.677 4.018 1.00 2.71 H new ATOM 382 N SER A 32 30.728 -35.299 2.503 1.00 2.63 N ATOM 383 CA SER A 32 31.565 -36.280 1.817 1.00 2.85 C ATOM 384 C SER A 32 33.021 -36.164 2.261 1.00 2.93 C ATOM 385 O SER A 32 33.686 -37.171 2.512 1.00 3.19 O ATOM 386 CB SER A 32 31.464 -36.096 0.301 1.00 2.84 C ATOM 387 OG SER A 32 30.121 -35.872 -0.097 1.00 3.16 O ATOM 0 H SER A 32 30.478 -34.489 1.935 1.00 2.63 H new ATOM 0 HA SER A 32 31.204 -37.274 2.081 1.00 2.85 H new ATOM 0 HB2 SER A 32 32.084 -35.254 -0.009 1.00 2.84 H new ATOM 0 HB3 SER A 32 31.853 -36.981 -0.203 1.00 2.84 H new ATOM 0 HG SER A 32 30.083 -35.756 -1.069 1.00 3.16 H new ATOM 393 N GLU A 33 33.510 -34.930 2.348 1.00 2.79 N ATOM 394 CA GLU A 33 34.887 -34.670 2.759 1.00 2.95 C ATOM 395 C GLU A 33 35.136 -35.170 4.179 1.00 3.13 C ATOM 396 O GLU A 33 36.220 -35.663 4.494 1.00 3.53 O ATOM 397 CB GLU A 33 35.190 -33.170 2.683 1.00 3.57 C ATOM 398 CG GLU A 33 34.957 -32.564 1.304 1.00 3.89 C ATOM 399 CD GLU A 33 34.468 -31.125 1.359 1.00 3.97 C ATOM 400 OE1 GLU A 33 34.640 -30.472 2.410 1.00 4.37 O ATOM 401 OE2 GLU A 33 33.919 -30.647 0.348 1.00 4.15 O ATOM 0 H GLU A 33 32.970 -34.090 2.138 1.00 2.79 H new ATOM 0 HA GLU A 33 35.548 -35.207 2.078 1.00 2.95 H new ATOM 0 HB2 GLU A 33 34.569 -32.646 3.409 1.00 3.57 H new ATOM 0 HB3 GLU A 33 36.228 -33.003 2.972 1.00 3.57 H new ATOM 0 HG2 GLU A 33 35.886 -32.604 0.735 1.00 3.89 H new ATOM 0 HG3 GLU A 33 34.227 -33.169 0.767 1.00 3.89 H new ATOM 540 N GLN A 43 40.497 -39.536 12.684 1.00 3.28 N ATOM 541 CA GLN A 43 41.468 -38.828 11.860 1.00 3.01 C ATOM 542 C GLN A 43 40.757 -38.032 10.774 1.00 2.82 C ATOM 543 O GLN A 43 41.134 -36.900 10.473 1.00 2.61 O ATOM 544 CB GLN A 43 42.463 -39.809 11.232 1.00 3.07 C ATOM 545 CG GLN A 43 43.883 -39.268 11.144 1.00 3.47 C ATOM 546 CD GLN A 43 44.467 -38.918 12.501 1.00 3.77 C ATOM 547 OE1 GLN A 43 45.013 -37.832 12.692 1.00 4.06 O ATOM 548 NE2 GLN A 43 44.356 -39.839 13.453 1.00 4.24 N ATOM 0 HA GLN A 43 42.021 -38.138 12.497 1.00 3.01 H new ATOM 0 HB2 GLN A 43 42.470 -40.729 11.816 1.00 3.07 H new ATOM 0 HB3 GLN A 43 42.120 -40.069 10.231 1.00 3.07 H new ATOM 0 HG2 GLN A 43 44.519 -40.009 10.660 1.00 3.47 H new ATOM 0 HG3 GLN A 43 43.890 -38.380 10.511 1.00 3.47 H new ATOM 0 HE21 GLN A 43 43.896 -40.727 13.252 1.00 4.24 H new ATOM 0 HE22 GLN A 43 44.731 -39.658 14.384 1.00 4.24 H new ATOM 557 N ASN A 44 39.714 -38.626 10.203 1.00 2.97 N ATOM 558 CA ASN A 44 38.932 -37.968 9.161 1.00 2.93 C ATOM 559 C ASN A 44 38.366 -36.659 9.695 1.00 2.82 C ATOM 560 O ASN A 44 38.520 -35.602 9.084 1.00 2.66 O ATOM 561 CB ASN A 44 37.794 -38.883 8.690 1.00 3.26 C ATOM 562 CG ASN A 44 37.255 -38.501 7.323 1.00 3.37 C ATOM 563 OD1 ASN A 44 37.072 -37.206 7.095 1.00 3.42 O flip ATOM 564 ND2 ASN A 44 37.001 -39.364 6.482 1.00 3.83 N flip ATOM 0 H ASN A 44 39.390 -39.563 10.444 1.00 2.97 H new ATOM 0 HA ASN A 44 39.580 -37.757 8.311 1.00 2.93 H new ATOM 0 HB2 ASN A 44 38.151 -39.912 8.659 1.00 3.26 H new ATOM 0 HB3 ASN A 44 36.983 -38.849 9.417 1.00 3.26 H new ATOM 0 HD21 ASN A 44 37.157 -40.349 6.699 1.00 3.83 H new ATOM 0 HD22 ASN A 44 36.635 -39.094 5.569 1.00 3.83 H new ATOM 571 N LEU A 45 37.720 -36.748 10.853 1.00 3.00 N ATOM 572 CA LEU A 45 37.128 -35.591 11.512 1.00 3.01 C ATOM 573 C LEU A 45 38.171 -34.491 11.710 1.00 2.73 C ATOM 574 O LEU A 45 37.989 -33.354 11.272 1.00 2.57 O ATOM 575 CB LEU A 45 36.551 -36.022 12.871 1.00 3.36 C ATOM 576 CG LEU A 45 35.074 -35.690 13.126 1.00 3.84 C ATOM 577 CD1 LEU A 45 34.277 -35.657 11.833 1.00 4.23 C ATOM 578 CD2 LEU A 45 34.466 -36.698 14.094 1.00 4.27 C ATOM 0 H LEU A 45 37.593 -37.624 11.360 1.00 3.00 H new ATOM 0 HA LEU A 45 36.330 -35.194 10.885 1.00 3.01 H new ATOM 0 HB2 LEU A 45 36.680 -37.100 12.970 1.00 3.36 H new ATOM 0 HB3 LEU A 45 37.146 -35.556 13.657 1.00 3.36 H new ATOM 0 HG LEU A 45 35.029 -34.695 13.570 1.00 3.84 H new ATOM 0 HD11 LEU A 45 33.236 -35.419 12.053 1.00 4.23 H new ATOM 0 HD12 LEU A 45 34.691 -34.897 11.170 1.00 4.23 H new ATOM 0 HD13 LEU A 45 34.331 -36.631 11.347 1.00 4.23 H new ATOM 0 HD21 LEU A 45 33.418 -36.451 14.266 1.00 4.27 H new ATOM 0 HD22 LEU A 45 34.538 -37.699 13.669 1.00 4.27 H new ATOM 0 HD23 LEU A 45 35.007 -36.666 15.040 1.00 4.27 H new ATOM 590 N ARG A 46 39.266 -34.843 12.376 1.00 2.73 N ATOM 591 CA ARG A 46 40.343 -33.894 12.639 1.00 2.59 C ATOM 592 C ARG A 46 40.893 -33.306 11.340 1.00 2.28 C ATOM 593 O ARG A 46 41.291 -32.141 11.298 1.00 2.17 O ATOM 594 CB ARG A 46 41.455 -34.570 13.445 1.00 2.76 C ATOM 595 CG ARG A 46 41.556 -34.083 14.887 1.00 2.97 C ATOM 596 CD ARG A 46 40.199 -34.042 15.585 1.00 3.51 C ATOM 597 NE ARG A 46 39.543 -35.347 15.610 1.00 4.06 N ATOM 598 CZ ARG A 46 38.227 -35.516 15.740 1.00 4.80 C ATOM 599 NH1 ARG A 46 37.411 -34.466 15.787 1.00 5.15 N ATOM 600 NH2 ARG A 46 37.719 -36.740 15.802 1.00 5.49 N ATOM 0 H ARG A 46 39.431 -35.780 12.744 1.00 2.73 H new ATOM 0 HA ARG A 46 39.937 -33.070 13.226 1.00 2.59 H new ATOM 0 HB2 ARG A 46 41.286 -35.647 13.446 1.00 2.76 H new ATOM 0 HB3 ARG A 46 42.409 -34.398 12.946 1.00 2.76 H new ATOM 0 HG2 ARG A 46 42.227 -34.738 15.442 1.00 2.97 H new ATOM 0 HG3 ARG A 46 41.999 -33.087 14.901 1.00 2.97 H new ATOM 0 HD2 ARG A 46 40.330 -33.685 16.607 1.00 3.51 H new ATOM 0 HD3 ARG A 46 39.554 -33.325 15.077 1.00 3.51 H new ATOM 0 HE ARG A 46 40.127 -36.179 15.523 1.00 4.06 H new ATOM 0 HH11 ARG A 46 37.791 -33.522 15.723 1.00 5.15 H new ATOM 0 HH12 ARG A 46 36.406 -34.606 15.887 1.00 5.15 H new ATOM 0 HH21 ARG A 46 38.335 -37.551 15.750 1.00 5.49 H new ATOM 0 HH22 ARG A 46 36.712 -36.870 15.901 1.00 5.49 H new ATOM 614 N LYS A 47 40.900 -34.105 10.275 1.00 2.24 N ATOM 615 CA LYS A 47 41.387 -33.631 8.984 1.00 2.12 C ATOM 616 C LYS A 47 40.389 -32.643 8.397 1.00 2.02 C ATOM 617 O LYS A 47 40.768 -31.683 7.725 1.00 1.89 O ATOM 618 CB LYS A 47 41.635 -34.806 8.023 1.00 2.32 C ATOM 619 CG LYS A 47 40.750 -34.804 6.781 1.00 2.70 C ATOM 620 CD LYS A 47 41.071 -35.977 5.864 1.00 3.12 C ATOM 621 CE LYS A 47 39.810 -36.650 5.342 1.00 3.66 C ATOM 622 NZ LYS A 47 39.146 -35.846 4.280 1.00 4.30 N ATOM 0 H LYS A 47 40.578 -35.073 10.280 1.00 2.24 H new ATOM 0 HA LYS A 47 42.341 -33.124 9.129 1.00 2.12 H new ATOM 0 HB2 LYS A 47 42.679 -34.789 7.710 1.00 2.32 H new ATOM 0 HB3 LYS A 47 41.479 -35.740 8.563 1.00 2.32 H new ATOM 0 HG2 LYS A 47 39.703 -34.850 7.079 1.00 2.70 H new ATOM 0 HG3 LYS A 47 40.886 -33.869 6.238 1.00 2.70 H new ATOM 0 HD2 LYS A 47 41.671 -35.627 5.024 1.00 3.12 H new ATOM 0 HD3 LYS A 47 41.675 -36.706 6.405 1.00 3.12 H new ATOM 0 HE2 LYS A 47 40.062 -37.634 4.947 1.00 3.66 H new ATOM 0 HE3 LYS A 47 39.115 -36.806 6.167 1.00 3.66 H new ATOM 0 HZ1 LYS A 47 38.117 -35.855 4.430 1.00 4.30 H new ATOM 0 HZ2 LYS A 47 39.493 -34.866 4.319 1.00 4.30 H new ATOM 0 HZ3 LYS A 47 39.364 -36.254 3.348 1.00 4.30 H new ATOM 636 N LYS A 48 39.108 -32.870 8.680 1.00 2.17 N ATOM 637 CA LYS A 48 38.063 -31.983 8.200 1.00 2.20 C ATOM 638 C LYS A 48 38.223 -30.621 8.854 1.00 2.02 C ATOM 639 O LYS A 48 38.048 -29.597 8.206 1.00 1.90 O ATOM 640 CB LYS A 48 36.673 -32.552 8.490 1.00 2.54 C ATOM 641 CG LYS A 48 35.546 -31.789 7.803 1.00 3.02 C ATOM 642 CD LYS A 48 35.567 -31.982 6.292 1.00 3.19 C ATOM 643 CE LYS A 48 36.162 -30.776 5.577 1.00 3.73 C ATOM 644 NZ LYS A 48 35.124 -29.770 5.218 1.00 4.17 N ATOM 0 H LYS A 48 38.775 -33.657 9.236 1.00 2.17 H new ATOM 0 HA LYS A 48 38.158 -31.885 7.119 1.00 2.20 H new ATOM 0 HB2 LYS A 48 36.642 -33.594 8.171 1.00 2.54 H new ATOM 0 HB3 LYS A 48 36.503 -32.543 9.567 1.00 2.54 H new ATOM 0 HG2 LYS A 48 34.587 -32.124 8.198 1.00 3.02 H new ATOM 0 HG3 LYS A 48 35.633 -30.727 8.035 1.00 3.02 H new ATOM 0 HD2 LYS A 48 36.146 -32.872 6.047 1.00 3.19 H new ATOM 0 HD3 LYS A 48 34.552 -32.153 5.933 1.00 3.19 H new ATOM 0 HE2 LYS A 48 36.912 -30.310 6.216 1.00 3.73 H new ATOM 0 HE3 LYS A 48 36.674 -31.107 4.673 1.00 3.73 H new ATOM 0 HZ1 LYS A 48 35.564 -28.831 5.136 1.00 4.17 H new ATOM 0 HZ2 LYS A 48 34.689 -30.029 4.310 1.00 4.17 H new ATOM 0 HZ3 LYS A 48 34.393 -29.746 5.958 1.00 4.17 H new ATOM 658 N HIS A 49 38.569 -30.620 10.143 1.00 2.10 N ATOM 659 CA HIS A 49 38.773 -29.375 10.880 1.00 2.10 C ATOM 660 C HIS A 49 39.642 -28.418 10.067 1.00 1.82 C ATOM 661 O HIS A 49 39.228 -27.304 9.747 1.00 1.72 O ATOM 662 CB HIS A 49 39.455 -29.635 12.229 1.00 2.37 C ATOM 663 CG HIS A 49 38.644 -30.432 13.205 1.00 2.66 C ATOM 664 ND1 HIS A 49 37.626 -31.288 12.855 1.00 2.97 N ATOM 665 CD2 HIS A 49 38.737 -30.496 14.559 1.00 3.22 C ATOM 666 CE1 HIS A 49 37.143 -31.835 13.980 1.00 3.47 C ATOM 667 NE2 HIS A 49 37.785 -31.388 15.043 1.00 3.60 N ATOM 0 H HIS A 49 38.713 -31.465 10.695 1.00 2.10 H new ATOM 0 HA HIS A 49 37.793 -28.932 11.056 1.00 2.10 H new ATOM 0 HB2 HIS A 49 40.395 -30.157 12.049 1.00 2.37 H new ATOM 0 HB3 HIS A 49 39.704 -28.676 12.684 1.00 2.37 H new ATOM 0 HD2 HIS A 49 39.439 -29.942 15.164 1.00 3.22 H new ATOM 0 HE1 HIS A 49 36.333 -32.549 14.012 1.00 3.47 H new ATOM 0 HE2 HIS A 49 37.618 -31.643 16.016 1.00 3.60 H new ATOM 675 N LYS A 50 40.854 -28.865 9.732 1.00 1.76 N ATOM 676 CA LYS A 50 41.781 -28.046 8.956 1.00 1.67 C ATOM 677 C LYS A 50 41.148 -27.616 7.637 1.00 1.49 C ATOM 678 O LYS A 50 41.219 -26.449 7.252 1.00 1.46 O ATOM 679 CB LYS A 50 43.080 -28.811 8.689 1.00 1.79 C ATOM 680 CG LYS A 50 43.994 -28.906 9.903 1.00 2.13 C ATOM 681 CD LYS A 50 45.460 -29.002 9.501 1.00 2.64 C ATOM 682 CE LYS A 50 45.996 -27.676 8.975 1.00 3.07 C ATOM 683 NZ LYS A 50 45.620 -26.531 9.849 1.00 3.17 N ATOM 0 H LYS A 50 41.213 -29.785 9.985 1.00 1.76 H new ATOM 0 HA LYS A 50 42.012 -27.154 9.538 1.00 1.67 H new ATOM 0 HB2 LYS A 50 42.835 -29.818 8.350 1.00 1.79 H new ATOM 0 HB3 LYS A 50 43.619 -28.323 7.877 1.00 1.79 H new ATOM 0 HG2 LYS A 50 43.848 -28.032 10.538 1.00 2.13 H new ATOM 0 HG3 LYS A 50 43.722 -29.779 10.496 1.00 2.13 H new ATOM 0 HD2 LYS A 50 46.052 -29.317 10.361 1.00 2.64 H new ATOM 0 HD3 LYS A 50 45.577 -29.769 8.736 1.00 2.64 H new ATOM 0 HE2 LYS A 50 47.082 -27.730 8.897 1.00 3.07 H new ATOM 0 HE3 LYS A 50 45.613 -27.504 7.969 1.00 3.07 H new ATOM 0 HZ1 LYS A 50 46.336 -25.781 9.766 1.00 3.17 H new ATOM 0 HZ2 LYS A 50 44.694 -26.159 9.555 1.00 3.17 H new ATOM 0 HZ3 LYS A 50 45.566 -26.851 10.837 1.00 3.17 H new ATOM 697 N ARG A 51 40.519 -28.564 6.952 1.00 1.50 N ATOM 698 CA ARG A 51 39.866 -28.273 5.681 1.00 1.50 C ATOM 699 C ARG A 51 38.718 -27.288 5.888 1.00 1.38 C ATOM 700 O ARG A 51 38.365 -26.529 4.987 1.00 1.27 O ATOM 701 CB ARG A 51 39.345 -29.567 5.042 1.00 1.77 C ATOM 702 CG ARG A 51 40.248 -30.119 3.947 1.00 2.17 C ATOM 703 CD ARG A 51 40.078 -29.361 2.638 1.00 2.52 C ATOM 704 NE ARG A 51 38.681 -29.327 2.207 1.00 2.87 N ATOM 705 CZ ARG A 51 38.206 -29.970 1.141 1.00 3.47 C ATOM 706 NH1 ARG A 51 39.013 -30.690 0.371 1.00 4.13 N ATOM 707 NH2 ARG A 51 36.916 -29.892 0.848 1.00 3.79 N ATOM 0 H ARG A 51 40.447 -29.536 7.253 1.00 1.50 H new ATOM 0 HA ARG A 51 40.597 -27.821 5.010 1.00 1.50 H new ATOM 0 HB2 ARG A 51 39.228 -30.323 5.819 1.00 1.77 H new ATOM 0 HB3 ARG A 51 38.355 -29.382 4.625 1.00 1.77 H new ATOM 0 HG2 ARG A 51 41.288 -30.060 4.269 1.00 2.17 H new ATOM 0 HG3 ARG A 51 40.023 -31.174 3.788 1.00 2.17 H new ATOM 0 HD2 ARG A 51 40.446 -28.342 2.758 1.00 2.52 H new ATOM 0 HD3 ARG A 51 40.686 -29.831 1.865 1.00 2.52 H new ATOM 0 HE ARG A 51 38.026 -28.774 2.760 1.00 2.87 H new ATOM 0 HH11 ARG A 51 40.006 -30.755 0.593 1.00 4.13 H new ATOM 0 HH12 ARG A 51 38.640 -31.179 -0.443 1.00 4.13 H new ATOM 0 HH21 ARG A 51 36.292 -29.342 1.437 1.00 3.79 H new ATOM 0 HH22 ARG A 51 36.548 -30.382 0.033 1.00 3.79 H new ATOM 721 N LEU A 52 38.152 -27.301 7.091 1.00 1.51 N ATOM 722 CA LEU A 52 37.052 -26.412 7.439 1.00 1.55 C ATOM 723 C LEU A 52 37.503 -24.960 7.411 1.00 1.33 C ATOM 724 O LEU A 52 36.903 -24.134 6.731 1.00 1.22 O ATOM 725 CB LEU A 52 36.503 -26.756 8.831 1.00 1.88 C ATOM 726 CG LEU A 52 34.979 -26.922 8.929 1.00 2.21 C ATOM 727 CD1 LEU A 52 34.260 -26.009 7.944 1.00 2.58 C ATOM 728 CD2 LEU A 52 34.583 -28.374 8.705 1.00 2.90 C ATOM 0 H LEU A 52 38.441 -27.923 7.846 1.00 1.51 H new ATOM 0 HA LEU A 52 36.262 -26.549 6.700 1.00 1.55 H new ATOM 0 HB2 LEU A 52 36.972 -27.681 9.167 1.00 1.88 H new ATOM 0 HB3 LEU A 52 36.809 -25.973 9.525 1.00 1.88 H new ATOM 0 HG LEU A 52 34.674 -26.632 9.935 1.00 2.21 H new ATOM 0 HD11 LEU A 52 33.183 -26.149 8.037 1.00 2.58 H new ATOM 0 HD12 LEU A 52 34.511 -24.971 8.161 1.00 2.58 H new ATOM 0 HD13 LEU A 52 34.571 -26.253 6.928 1.00 2.58 H new ATOM 0 HD21 LEU A 52 33.500 -28.471 8.778 1.00 2.90 H new ATOM 0 HD22 LEU A 52 34.910 -28.692 7.715 1.00 2.90 H new ATOM 0 HD23 LEU A 52 35.056 -29.001 9.461 1.00 2.90 H new ATOM 740 N GLU A 53 38.564 -24.653 8.153 1.00 1.38 N ATOM 741 CA GLU A 53 39.081 -23.290 8.202 1.00 1.39 C ATOM 742 C GLU A 53 39.359 -22.771 6.794 1.00 1.16 C ATOM 743 O GLU A 53 39.011 -21.638 6.461 1.00 1.13 O ATOM 744 CB GLU A 53 40.345 -23.216 9.072 1.00 1.66 C ATOM 745 CG GLU A 53 41.650 -23.395 8.306 1.00 2.20 C ATOM 746 CD GLU A 53 42.789 -23.854 9.197 1.00 2.62 C ATOM 747 OE1 GLU A 53 43.279 -23.036 10.004 1.00 3.17 O ATOM 748 OE2 GLU A 53 43.192 -25.031 9.091 1.00 3.08 O ATOM 0 H GLU A 53 39.078 -25.324 8.724 1.00 1.38 H new ATOM 0 HA GLU A 53 38.322 -22.653 8.657 1.00 1.39 H new ATOM 0 HB2 GLU A 53 40.366 -22.252 9.580 1.00 1.66 H new ATOM 0 HB3 GLU A 53 40.284 -23.982 9.845 1.00 1.66 H new ATOM 0 HG2 GLU A 53 41.502 -24.122 7.508 1.00 2.20 H new ATOM 0 HG3 GLU A 53 41.921 -22.452 7.832 1.00 2.20 H new ATOM 755 N ALA A 54 39.972 -23.610 5.964 1.00 1.13 N ATOM 756 CA ALA A 54 40.272 -23.232 4.590 1.00 1.16 C ATOM 757 C ALA A 54 38.978 -22.954 3.835 1.00 0.99 C ATOM 758 O ALA A 54 38.835 -21.923 3.174 1.00 1.03 O ATOM 759 CB ALA A 54 41.076 -24.324 3.900 1.00 1.35 C ATOM 0 H ALA A 54 40.269 -24.552 6.219 1.00 1.13 H new ATOM 0 HA ALA A 54 40.874 -22.323 4.596 1.00 1.16 H new ATOM 0 HB1 ALA A 54 41.291 -24.024 2.874 1.00 1.35 H new ATOM 0 HB2 ALA A 54 42.012 -24.481 4.436 1.00 1.35 H new ATOM 0 HB3 ALA A 54 40.502 -25.250 3.895 1.00 1.35 H new ATOM 765 N GLU A 55 38.033 -23.879 3.955 1.00 0.99 N ATOM 766 CA GLU A 55 36.738 -23.748 3.308 1.00 1.06 C ATOM 767 C GLU A 55 36.069 -22.428 3.690 1.00 0.88 C ATOM 768 O GLU A 55 35.679 -21.651 2.823 1.00 0.90 O ATOM 769 CB GLU A 55 35.839 -24.927 3.700 1.00 1.35 C ATOM 770 CG GLU A 55 35.680 -25.965 2.602 1.00 1.84 C ATOM 771 CD GLU A 55 35.391 -27.352 3.147 1.00 1.93 C ATOM 772 OE1 GLU A 55 34.208 -27.662 3.390 1.00 2.60 O ATOM 773 OE2 GLU A 55 36.351 -28.127 3.330 1.00 2.20 O ATOM 0 H GLU A 55 38.144 -24.734 4.500 1.00 0.99 H new ATOM 0 HA GLU A 55 36.889 -23.753 2.229 1.00 1.06 H new ATOM 0 HB2 GLU A 55 36.252 -25.409 4.586 1.00 1.35 H new ATOM 0 HB3 GLU A 55 34.855 -24.547 3.974 1.00 1.35 H new ATOM 0 HG2 GLU A 55 34.870 -25.664 1.937 1.00 1.84 H new ATOM 0 HG3 GLU A 55 36.590 -25.997 2.002 1.00 1.84 H new ATOM 780 N LEU A 56 35.950 -22.180 4.992 1.00 0.90 N ATOM 781 CA LEU A 56 35.329 -20.957 5.491 1.00 0.98 C ATOM 782 C LEU A 56 36.003 -19.715 4.923 1.00 0.91 C ATOM 783 O LEU A 56 35.338 -18.731 4.594 1.00 0.99 O ATOM 784 CB LEU A 56 35.389 -20.920 7.020 1.00 1.26 C ATOM 785 CG LEU A 56 34.550 -21.987 7.732 1.00 2.02 C ATOM 786 CD1 LEU A 56 35.076 -22.225 9.141 1.00 2.55 C ATOM 787 CD2 LEU A 56 33.082 -21.583 7.766 1.00 2.67 C ATOM 0 H LEU A 56 36.277 -22.813 5.722 1.00 0.90 H new ATOM 0 HA LEU A 56 34.289 -20.959 5.165 1.00 0.98 H new ATOM 0 HB2 LEU A 56 36.428 -21.031 7.330 1.00 1.26 H new ATOM 0 HB3 LEU A 56 35.060 -19.937 7.357 1.00 1.26 H new ATOM 0 HG LEU A 56 34.632 -22.919 7.173 1.00 2.02 H new ATOM 0 HD11 LEU A 56 34.469 -22.985 9.632 1.00 2.55 H new ATOM 0 HD12 LEU A 56 36.111 -22.564 9.091 1.00 2.55 H new ATOM 0 HD13 LEU A 56 35.025 -21.297 9.710 1.00 2.55 H new ATOM 0 HD21 LEU A 56 32.504 -22.354 8.276 1.00 2.67 H new ATOM 0 HD22 LEU A 56 32.977 -20.638 8.300 1.00 2.67 H new ATOM 0 HD23 LEU A 56 32.713 -21.467 6.747 1.00 2.67 H new ATOM 799 N ALA A 57 37.325 -19.757 4.826 1.00 0.92 N ATOM 800 CA ALA A 57 38.090 -18.630 4.315 1.00 1.14 C ATOM 801 C ALA A 57 37.651 -18.244 2.904 1.00 1.08 C ATOM 802 O ALA A 57 37.530 -17.064 2.586 1.00 1.22 O ATOM 803 CB ALA A 57 39.573 -18.959 4.335 1.00 1.37 C ATOM 0 H ALA A 57 37.890 -20.562 5.096 1.00 0.92 H new ATOM 0 HA ALA A 57 37.901 -17.774 4.963 1.00 1.14 H new ATOM 0 HB1 ALA A 57 40.139 -18.110 3.951 1.00 1.37 H new ATOM 0 HB2 ALA A 57 39.885 -19.170 5.358 1.00 1.37 H new ATOM 0 HB3 ALA A 57 39.760 -19.833 3.711 1.00 1.37 H new ATOM 809 N ALA A 58 37.445 -19.247 2.057 1.00 1.03 N ATOM 810 CA ALA A 58 37.051 -19.019 0.668 1.00 1.19 C ATOM 811 C ALA A 58 35.554 -18.749 0.511 1.00 1.03 C ATOM 812 O ALA A 58 35.136 -18.103 -0.453 1.00 1.17 O ATOM 813 CB ALA A 58 37.452 -20.216 -0.179 1.00 1.43 C ATOM 0 H ALA A 58 37.544 -20.231 2.308 1.00 1.03 H new ATOM 0 HA ALA A 58 37.571 -18.123 0.329 1.00 1.19 H new ATOM 0 HB1 ALA A 58 37.157 -20.044 -1.214 1.00 1.43 H new ATOM 0 HB2 ALA A 58 38.532 -20.353 -0.127 1.00 1.43 H new ATOM 0 HB3 ALA A 58 36.954 -21.110 0.196 1.00 1.43 H new ATOM 819 N HIS A 59 34.746 -19.258 1.436 1.00 0.87 N ATOM 820 CA HIS A 59 33.300 -19.082 1.362 1.00 0.90 C ATOM 821 C HIS A 59 32.883 -17.683 1.801 1.00 0.80 C ATOM 822 O HIS A 59 31.922 -17.122 1.275 1.00 0.89 O ATOM 823 CB HIS A 59 32.595 -20.142 2.215 1.00 1.13 C ATOM 824 CG HIS A 59 32.720 -21.532 1.659 1.00 1.46 C ATOM 825 ND1 HIS A 59 33.886 -22.040 1.133 1.00 2.16 N ATOM 826 CD2 HIS A 59 31.791 -22.517 1.523 1.00 1.68 C ATOM 827 CE1 HIS A 59 33.636 -23.281 0.702 1.00 2.61 C ATOM 828 NE2 HIS A 59 32.385 -23.617 0.918 1.00 2.36 N ATOM 0 H HIS A 59 35.067 -19.794 2.243 1.00 0.87 H new ATOM 0 HA HIS A 59 33.000 -19.204 0.321 1.00 0.90 H new ATOM 0 HB2 HIS A 59 33.010 -20.123 3.223 1.00 1.13 H new ATOM 0 HB3 HIS A 59 31.539 -19.886 2.301 1.00 1.13 H new ATOM 0 HD1 HIS A 59 34.782 -21.556 1.081 1.00 2.16 H new ATOM 0 HD2 HIS A 59 30.759 -22.454 1.835 1.00 1.68 H new ATOM 0 HE1 HIS A 59 34.368 -23.924 0.236 1.00 2.61 H new ATOM 836 N GLU A 60 33.608 -17.122 2.764 1.00 0.87 N ATOM 837 CA GLU A 60 33.299 -15.785 3.262 1.00 1.09 C ATOM 838 C GLU A 60 33.310 -14.764 2.123 1.00 1.11 C ATOM 839 O GLU A 60 32.297 -14.121 1.857 1.00 1.12 O ATOM 840 CB GLU A 60 34.281 -15.379 4.368 1.00 1.39 C ATOM 841 CG GLU A 60 33.631 -15.230 5.736 1.00 1.92 C ATOM 842 CD GLU A 60 33.082 -16.540 6.272 1.00 2.39 C ATOM 843 OE1 GLU A 60 33.890 -17.414 6.652 1.00 3.01 O ATOM 844 OE2 GLU A 60 31.844 -16.692 6.314 1.00 2.70 O ATOM 0 H GLU A 60 34.408 -17.568 3.213 1.00 0.87 H new ATOM 0 HA GLU A 60 32.296 -15.804 3.688 1.00 1.09 H new ATOM 0 HB2 GLU A 60 35.073 -16.125 4.431 1.00 1.39 H new ATOM 0 HB3 GLU A 60 34.753 -14.435 4.095 1.00 1.39 H new ATOM 0 HG2 GLU A 60 34.363 -14.833 6.440 1.00 1.92 H new ATOM 0 HG3 GLU A 60 32.823 -14.502 5.672 1.00 1.92 H new ATOM 851 N PRO A 61 34.458 -14.588 1.437 1.00 1.23 N ATOM 852 CA PRO A 61 34.573 -13.633 0.328 1.00 1.42 C ATOM 853 C PRO A 61 33.532 -13.877 -0.760 1.00 1.32 C ATOM 854 O PRO A 61 32.975 -12.933 -1.319 1.00 1.44 O ATOM 855 CB PRO A 61 35.982 -13.884 -0.220 1.00 1.60 C ATOM 856 CG PRO A 61 36.731 -14.468 0.924 1.00 1.59 C ATOM 857 CD PRO A 61 35.732 -15.285 1.691 1.00 1.29 C ATOM 0 HA PRO A 61 34.406 -12.608 0.660 1.00 1.42 H new ATOM 0 HB2 PRO A 61 35.961 -14.566 -1.070 1.00 1.60 H new ATOM 0 HB3 PRO A 61 36.444 -12.959 -0.565 1.00 1.60 H new ATOM 0 HG2 PRO A 61 37.558 -15.087 0.575 1.00 1.59 H new ATOM 0 HG3 PRO A 61 37.161 -13.686 1.550 1.00 1.59 H new ATOM 0 HD2 PRO A 61 35.703 -16.317 1.341 1.00 1.29 H new ATOM 0 HD3 PRO A 61 35.969 -15.316 2.755 1.00 1.29 H new ATOM 865 N ALA A 62 33.283 -15.149 -1.063 1.00 1.18 N ATOM 866 CA ALA A 62 32.312 -15.516 -2.091 1.00 1.22 C ATOM 867 C ALA A 62 30.938 -14.921 -1.792 1.00 1.00 C ATOM 868 O ALA A 62 30.314 -14.305 -2.659 1.00 1.06 O ATOM 869 CB ALA A 62 32.218 -17.030 -2.211 1.00 1.31 C ATOM 0 H ALA A 62 33.739 -15.942 -0.612 1.00 1.18 H new ATOM 0 HA ALA A 62 32.656 -15.106 -3.041 1.00 1.22 H new ATOM 0 HB1 ALA A 62 31.491 -17.290 -2.980 1.00 1.31 H new ATOM 0 HB2 ALA A 62 33.193 -17.435 -2.482 1.00 1.31 H new ATOM 0 HB3 ALA A 62 31.902 -17.452 -1.257 1.00 1.31 H new ATOM 875 N ILE A 63 30.475 -15.109 -0.560 1.00 0.82 N ATOM 876 CA ILE A 63 29.175 -14.595 -0.143 1.00 0.73 C ATOM 877 C ILE A 63 29.206 -13.073 -0.026 1.00 0.73 C ATOM 878 O ILE A 63 28.298 -12.384 -0.498 1.00 0.73 O ATOM 879 CB ILE A 63 28.735 -15.221 1.203 1.00 0.79 C ATOM 880 CG1 ILE A 63 28.413 -16.709 1.012 1.00 1.08 C ATOM 881 CG2 ILE A 63 27.526 -14.488 1.772 1.00 0.96 C ATOM 882 CD1 ILE A 63 29.222 -17.641 1.895 1.00 0.67 C ATOM 0 H ILE A 63 30.981 -15.614 0.167 1.00 0.82 H new ATOM 0 HA ILE A 63 28.449 -14.873 -0.907 1.00 0.73 H new ATOM 0 HB ILE A 63 29.557 -15.124 1.912 1.00 0.79 H new ATOM 0 HG12 ILE A 63 27.353 -16.868 1.211 1.00 1.08 H new ATOM 0 HG13 ILE A 63 28.585 -16.975 -0.031 1.00 1.08 H new ATOM 0 HG21 ILE A 63 27.235 -14.945 2.718 1.00 0.96 H new ATOM 0 HG22 ILE A 63 27.780 -13.441 1.938 1.00 0.96 H new ATOM 0 HG23 ILE A 63 26.697 -14.552 1.067 1.00 0.96 H new ATOM 0 HD11 ILE A 63 28.932 -18.673 1.697 1.00 0.67 H new ATOM 0 HD12 ILE A 63 30.283 -17.515 1.681 1.00 0.67 H new ATOM 0 HD13 ILE A 63 29.032 -17.406 2.942 1.00 0.67 H new ATOM 894 N GLN A 64 30.256 -12.551 0.603 1.00 0.83 N ATOM 895 CA GLN A 64 30.406 -11.109 0.776 1.00 0.95 C ATOM 896 C GLN A 64 30.295 -10.395 -0.567 1.00 0.95 C ATOM 897 O GLN A 64 29.585 -9.400 -0.695 1.00 0.92 O ATOM 898 CB GLN A 64 31.749 -10.782 1.437 1.00 1.17 C ATOM 899 CG GLN A 64 31.618 -10.024 2.752 1.00 1.62 C ATOM 900 CD GLN A 64 30.865 -8.711 2.610 1.00 2.58 C ATOM 901 OE1 GLN A 64 30.217 -8.253 3.552 1.00 3.24 O ATOM 902 NE2 GLN A 64 30.945 -8.097 1.436 1.00 3.27 N ATOM 0 H GLN A 64 31.015 -13.105 1.001 1.00 0.83 H new ATOM 0 HA GLN A 64 29.604 -10.759 1.426 1.00 0.95 H new ATOM 0 HB2 GLN A 64 32.291 -11.711 1.616 1.00 1.17 H new ATOM 0 HB3 GLN A 64 32.349 -10.191 0.746 1.00 1.17 H new ATOM 0 HG2 GLN A 64 31.104 -10.654 3.478 1.00 1.62 H new ATOM 0 HG3 GLN A 64 32.613 -9.824 3.150 1.00 1.62 H new ATOM 0 HE21 GLN A 64 31.493 -8.510 0.681 1.00 3.27 H new ATOM 0 HE22 GLN A 64 30.459 -7.212 1.289 1.00 3.27 H new ATOM 911 N GLY A 65 30.998 -10.920 -1.569 1.00 1.05 N ATOM 912 CA GLY A 65 30.960 -10.327 -2.891 1.00 1.14 C ATOM 913 C GLY A 65 29.542 -10.060 -3.344 1.00 0.94 C ATOM 914 O GLY A 65 29.216 -8.953 -3.772 1.00 0.94 O ATOM 0 H GLY A 65 31.592 -11.745 -1.486 1.00 1.05 H new ATOM 0 HA2 GLY A 65 31.523 -9.393 -2.887 1.00 1.14 H new ATOM 0 HA3 GLY A 65 31.450 -10.992 -3.602 1.00 1.14 H new ATOM 918 N VAL A 66 28.687 -11.073 -3.231 1.00 0.83 N ATOM 919 CA VAL A 66 27.291 -10.927 -3.621 1.00 0.72 C ATOM 920 C VAL A 66 26.639 -9.794 -2.839 1.00 0.59 C ATOM 921 O VAL A 66 26.008 -8.910 -3.415 1.00 0.56 O ATOM 922 CB VAL A 66 26.501 -12.242 -3.406 1.00 0.77 C ATOM 923 CG1 VAL A 66 25.243 -12.021 -2.568 1.00 1.22 C ATOM 924 CG2 VAL A 66 26.140 -12.868 -4.744 1.00 1.46 C ATOM 0 H VAL A 66 28.935 -11.996 -2.875 1.00 0.83 H new ATOM 0 HA VAL A 66 27.268 -10.690 -4.685 1.00 0.72 H new ATOM 0 HB VAL A 66 27.147 -12.925 -2.854 1.00 0.77 H new ATOM 0 HG11 VAL A 66 24.719 -12.968 -2.442 1.00 1.22 H new ATOM 0 HG12 VAL A 66 25.521 -11.627 -1.591 1.00 1.22 H new ATOM 0 HG13 VAL A 66 24.590 -11.310 -3.073 1.00 1.22 H new ATOM 0 HG21 VAL A 66 25.585 -13.791 -4.576 1.00 1.46 H new ATOM 0 HG22 VAL A 66 25.525 -12.174 -5.316 1.00 1.46 H new ATOM 0 HG23 VAL A 66 27.051 -13.088 -5.300 1.00 1.46 H new ATOM 934 N LEU A 67 26.796 -9.830 -1.520 1.00 0.58 N ATOM 935 CA LEU A 67 26.223 -8.805 -0.654 1.00 0.62 C ATOM 936 C LEU A 67 26.636 -7.411 -1.121 1.00 0.69 C ATOM 937 O LEU A 67 25.788 -6.544 -1.341 1.00 0.71 O ATOM 938 CB LEU A 67 26.657 -9.037 0.800 1.00 0.74 C ATOM 939 CG LEU A 67 26.411 -7.864 1.757 1.00 1.29 C ATOM 940 CD1 LEU A 67 24.936 -7.488 1.784 1.00 2.13 C ATOM 941 CD2 LEU A 67 26.904 -8.210 3.156 1.00 1.90 C ATOM 0 H LEU A 67 27.315 -10.557 -1.027 1.00 0.58 H new ATOM 0 HA LEU A 67 25.137 -8.873 -0.709 1.00 0.62 H new ATOM 0 HB2 LEU A 67 26.131 -9.912 1.183 1.00 0.74 H new ATOM 0 HB3 LEU A 67 27.721 -9.275 0.810 1.00 0.74 H new ATOM 0 HG LEU A 67 26.972 -7.002 1.396 1.00 1.29 H new ATOM 0 HD11 LEU A 67 24.786 -6.654 2.469 1.00 2.13 H new ATOM 0 HD12 LEU A 67 24.616 -7.198 0.783 1.00 2.13 H new ATOM 0 HD13 LEU A 67 24.349 -8.343 2.119 1.00 2.13 H new ATOM 0 HD21 LEU A 67 26.723 -7.368 3.824 1.00 1.90 H new ATOM 0 HD22 LEU A 67 26.370 -9.086 3.523 1.00 1.90 H new ATOM 0 HD23 LEU A 67 27.972 -8.423 3.123 1.00 1.90 H new ATOM 953 N ASP A 68 27.939 -7.201 -1.279 1.00 0.79 N ATOM 954 CA ASP A 68 28.457 -5.912 -1.728 1.00 0.94 C ATOM 955 C ASP A 68 27.802 -5.491 -3.041 1.00 0.86 C ATOM 956 O ASP A 68 27.367 -4.349 -3.184 1.00 0.91 O ATOM 957 CB ASP A 68 29.976 -5.961 -1.891 1.00 1.12 C ATOM 958 CG ASP A 68 30.572 -4.577 -2.064 1.00 1.55 C ATOM 959 OD1 ASP A 68 30.906 -3.942 -1.042 1.00 2.24 O ATOM 960 OD2 ASP A 68 30.689 -4.122 -3.220 1.00 2.04 O ATOM 0 H ASP A 68 28.655 -7.906 -1.103 1.00 0.79 H new ATOM 0 HA ASP A 68 28.214 -5.172 -0.965 1.00 0.94 H new ATOM 0 HB2 ASP A 68 30.419 -6.441 -1.018 1.00 1.12 H new ATOM 0 HB3 ASP A 68 30.229 -6.576 -2.755 1.00 1.12 H new ATOM 965 N THR A 69 27.733 -6.412 -4.001 1.00 0.80 N ATOM 966 CA THR A 69 27.119 -6.108 -5.291 1.00 0.80 C ATOM 967 C THR A 69 25.656 -5.715 -5.098 1.00 0.67 C ATOM 968 O THR A 69 25.205 -4.696 -5.622 1.00 0.73 O ATOM 969 CB THR A 69 27.227 -7.305 -6.239 1.00 0.86 C ATOM 970 OG1 THR A 69 28.549 -7.811 -6.257 1.00 1.02 O ATOM 971 CG2 THR A 69 26.845 -6.973 -7.667 1.00 0.94 C ATOM 0 H THR A 69 28.090 -7.363 -3.912 1.00 0.80 H new ATOM 0 HA THR A 69 27.653 -5.270 -5.738 1.00 0.80 H new ATOM 0 HB THR A 69 26.525 -8.044 -5.853 1.00 0.86 H new ATOM 0 HG1 THR A 69 28.718 -8.313 -5.433 1.00 1.02 H new ATOM 0 HG21 THR A 69 26.943 -7.864 -8.287 1.00 0.94 H new ATOM 0 HG22 THR A 69 25.813 -6.623 -7.696 1.00 0.94 H new ATOM 0 HG23 THR A 69 27.503 -6.192 -8.048 1.00 0.94 H new ATOM 979 N GLY A 70 24.920 -6.524 -4.334 1.00 0.57 N ATOM 980 CA GLY A 70 23.520 -6.229 -4.075 1.00 0.59 C ATOM 981 C GLY A 70 23.342 -4.815 -3.563 1.00 0.69 C ATOM 982 O GLY A 70 22.426 -4.102 -3.973 1.00 0.79 O ATOM 0 H GLY A 70 25.268 -7.375 -3.892 1.00 0.57 H new ATOM 0 HA2 GLY A 70 22.943 -6.362 -4.990 1.00 0.59 H new ATOM 0 HA3 GLY A 70 23.126 -6.935 -3.344 1.00 0.59 H new ATOM 986 N LYS A 71 24.239 -4.399 -2.672 1.00 0.76 N ATOM 987 CA LYS A 71 24.194 -3.052 -2.124 1.00 0.94 C ATOM 988 C LYS A 71 24.279 -2.044 -3.264 1.00 0.99 C ATOM 989 O LYS A 71 23.487 -1.103 -3.342 1.00 1.12 O ATOM 990 CB LYS A 71 25.345 -2.844 -1.130 1.00 1.05 C ATOM 991 CG LYS A 71 25.618 -1.383 -0.789 1.00 1.35 C ATOM 992 CD LYS A 71 26.828 -0.840 -1.540 1.00 1.91 C ATOM 993 CE LYS A 71 28.122 -1.520 -1.106 1.00 2.53 C ATOM 994 NZ LYS A 71 28.887 -2.051 -2.268 1.00 3.25 N ATOM 0 H LYS A 71 25.002 -4.975 -2.317 1.00 0.76 H new ATOM 0 HA LYS A 71 23.256 -2.907 -1.589 1.00 0.94 H new ATOM 0 HB2 LYS A 71 25.119 -3.384 -0.211 1.00 1.05 H new ATOM 0 HB3 LYS A 71 26.252 -3.285 -1.544 1.00 1.05 H new ATOM 0 HG2 LYS A 71 24.741 -0.784 -1.032 1.00 1.35 H new ATOM 0 HG3 LYS A 71 25.783 -1.285 0.284 1.00 1.35 H new ATOM 0 HD2 LYS A 71 26.684 -0.984 -2.611 1.00 1.91 H new ATOM 0 HD3 LYS A 71 26.908 0.234 -1.370 1.00 1.91 H new ATOM 0 HE2 LYS A 71 28.740 -0.808 -0.559 1.00 2.53 H new ATOM 0 HE3 LYS A 71 27.891 -2.335 -0.420 1.00 2.53 H new ATOM 0 HZ1 LYS A 71 29.890 -2.145 -2.009 1.00 3.25 H new ATOM 0 HZ2 LYS A 71 28.509 -2.982 -2.536 1.00 3.25 H new ATOM 0 HZ3 LYS A 71 28.797 -1.397 -3.071 1.00 3.25 H new ATOM 1008 N LYS A 72 25.234 -2.270 -4.166 1.00 0.95 N ATOM 1009 CA LYS A 72 25.416 -1.398 -5.321 1.00 1.08 C ATOM 1010 C LYS A 72 24.127 -1.337 -6.128 1.00 1.06 C ATOM 1011 O LYS A 72 23.673 -0.259 -6.509 1.00 1.26 O ATOM 1012 CB LYS A 72 26.570 -1.896 -6.197 1.00 1.14 C ATOM 1013 CG LYS A 72 27.280 -0.786 -6.961 1.00 1.49 C ATOM 1014 CD LYS A 72 27.176 -0.983 -8.467 1.00 2.07 C ATOM 1015 CE LYS A 72 27.368 0.327 -9.218 1.00 2.89 C ATOM 1016 NZ LYS A 72 26.104 1.107 -9.305 1.00 3.71 N ATOM 0 H LYS A 72 25.891 -3.049 -4.117 1.00 0.95 H new ATOM 0 HA LYS A 72 25.664 -0.397 -4.969 1.00 1.08 H new ATOM 0 HB2 LYS A 72 27.295 -2.414 -5.569 1.00 1.14 H new ATOM 0 HB3 LYS A 72 26.186 -2.627 -6.909 1.00 1.14 H new ATOM 0 HG2 LYS A 72 26.847 0.177 -6.689 1.00 1.49 H new ATOM 0 HG3 LYS A 72 28.330 -0.758 -6.669 1.00 1.49 H new ATOM 0 HD2 LYS A 72 27.926 -1.703 -8.793 1.00 2.07 H new ATOM 0 HD3 LYS A 72 26.201 -1.405 -8.713 1.00 2.07 H new ATOM 0 HE2 LYS A 72 28.130 0.925 -8.717 1.00 2.89 H new ATOM 0 HE3 LYS A 72 27.736 0.119 -10.223 1.00 2.89 H new ATOM 0 HZ1 LYS A 72 26.089 1.646 -10.194 1.00 3.71 H new ATOM 0 HZ2 LYS A 72 25.293 0.457 -9.281 1.00 3.71 H new ATOM 0 HZ3 LYS A 72 26.045 1.764 -8.501 1.00 3.71 H new ATOM 1030 N LEU A 73 23.534 -2.504 -6.369 1.00 0.89 N ATOM 1031 CA LEU A 73 22.281 -2.585 -7.108 1.00 0.98 C ATOM 1032 C LEU A 73 21.287 -1.581 -6.538 1.00 1.14 C ATOM 1033 O LEU A 73 20.764 -0.730 -7.253 1.00 1.32 O ATOM 1034 CB LEU A 73 21.701 -4.002 -7.027 1.00 0.97 C ATOM 1035 CG LEU A 73 21.833 -4.834 -8.306 1.00 0.92 C ATOM 1036 CD1 LEU A 73 23.295 -5.142 -8.596 1.00 1.52 C ATOM 1037 CD2 LEU A 73 21.023 -6.119 -8.192 1.00 0.96 C ATOM 0 H LEU A 73 23.902 -3.405 -6.063 1.00 0.89 H new ATOM 0 HA LEU A 73 22.472 -2.350 -8.155 1.00 0.98 H new ATOM 0 HB2 LEU A 73 22.195 -4.534 -6.214 1.00 0.97 H new ATOM 0 HB3 LEU A 73 20.645 -3.931 -6.766 1.00 0.97 H new ATOM 0 HG LEU A 73 21.437 -4.252 -9.138 1.00 0.92 H new ATOM 0 HD11 LEU A 73 23.368 -5.734 -9.508 1.00 1.52 H new ATOM 0 HD12 LEU A 73 23.845 -4.210 -8.723 1.00 1.52 H new ATOM 0 HD13 LEU A 73 23.720 -5.704 -7.764 1.00 1.52 H new ATOM 0 HD21 LEU A 73 21.128 -6.698 -9.110 1.00 0.96 H new ATOM 0 HD22 LEU A 73 21.388 -6.706 -7.349 1.00 0.96 H new ATOM 0 HD23 LEU A 73 19.972 -5.874 -8.036 1.00 0.96 H new ATOM 1049 N SER A 74 21.051 -1.676 -5.235 1.00 1.13 N ATOM 1050 CA SER A 74 20.138 -0.764 -4.560 1.00 1.36 C ATOM 1051 C SER A 74 20.548 0.681 -4.832 1.00 1.52 C ATOM 1052 O SER A 74 19.710 1.544 -5.080 1.00 1.76 O ATOM 1053 CB SER A 74 20.130 -1.030 -3.051 1.00 1.37 C ATOM 1054 OG SER A 74 20.261 -2.415 -2.769 1.00 1.67 O ATOM 0 H SER A 74 21.479 -2.374 -4.626 1.00 1.13 H new ATOM 0 HA SER A 74 19.133 -0.930 -4.947 1.00 1.36 H new ATOM 0 HB2 SER A 74 20.946 -0.482 -2.579 1.00 1.37 H new ATOM 0 HB3 SER A 74 19.202 -0.655 -2.619 1.00 1.37 H new ATOM 0 HG SER A 74 19.813 -2.620 -1.922 1.00 1.67 H new ATOM 1060 N ASP A 75 21.848 0.927 -4.775 1.00 1.47 N ATOM 1061 CA ASP A 75 22.400 2.257 -5.003 1.00 1.71 C ATOM 1062 C ASP A 75 22.134 2.760 -6.429 1.00 1.86 C ATOM 1063 O ASP A 75 22.032 3.967 -6.649 1.00 2.14 O ATOM 1064 CB ASP A 75 23.911 2.239 -4.713 1.00 1.72 C ATOM 1065 CG ASP A 75 24.264 1.525 -3.419 1.00 1.79 C ATOM 1066 OD1 ASP A 75 24.433 0.289 -3.450 1.00 2.34 O ATOM 1067 OD2 ASP A 75 24.373 2.206 -2.377 1.00 2.15 O ATOM 0 H ASP A 75 22.549 0.215 -4.570 1.00 1.47 H new ATOM 0 HA ASP A 75 21.901 2.949 -4.325 1.00 1.71 H new ATOM 0 HB2 ASP A 75 24.427 1.753 -5.541 1.00 1.72 H new ATOM 0 HB3 ASP A 75 24.278 3.264 -4.666 1.00 1.72 H new ATOM 1072 N ASP A 76 22.056 1.844 -7.398 1.00 1.77 N ATOM 1073 CA ASP A 76 21.843 2.232 -8.799 1.00 2.01 C ATOM 1074 C ASP A 76 20.408 2.002 -9.288 1.00 1.98 C ATOM 1075 O ASP A 76 20.083 2.369 -10.418 1.00 2.28 O ATOM 1076 CB ASP A 76 22.824 1.487 -9.713 1.00 2.20 C ATOM 1077 CG ASP A 76 22.756 -0.021 -9.553 1.00 2.36 C ATOM 1078 OD1 ASP A 76 21.665 -0.595 -9.752 1.00 2.64 O ATOM 1079 OD2 ASP A 76 23.799 -0.630 -9.236 1.00 2.89 O ATOM 0 H ASP A 76 22.136 0.839 -7.243 1.00 1.77 H new ATOM 0 HA ASP A 76 22.024 3.306 -8.845 1.00 2.01 H new ATOM 0 HB2 ASP A 76 22.614 1.746 -10.751 1.00 2.20 H new ATOM 0 HB3 ASP A 76 23.838 1.824 -9.499 1.00 2.20 H new ATOM 1084 N ASN A 77 19.550 1.399 -8.465 1.00 1.87 N ATOM 1085 CA ASN A 77 18.166 1.153 -8.887 1.00 2.13 C ATOM 1086 C ASN A 77 17.189 1.158 -7.710 1.00 1.92 C ATOM 1087 O ASN A 77 16.044 0.732 -7.850 1.00 2.30 O ATOM 1088 CB ASN A 77 18.066 -0.170 -9.661 1.00 3.00 C ATOM 1089 CG ASN A 77 18.073 -1.397 -8.766 1.00 3.68 C ATOM 1090 OD1 ASN A 77 19.224 -2.045 -8.662 1.00 3.93 O flip ATOM 1091 ND2 ASN A 77 17.053 -1.761 -8.181 1.00 4.42 N flip ATOM 0 H ASN A 77 19.778 1.078 -7.524 1.00 1.87 H new ATOM 0 HA ASN A 77 17.882 1.974 -9.545 1.00 2.13 H new ATOM 0 HB2 ASN A 77 17.151 -0.167 -10.253 1.00 3.00 H new ATOM 0 HB3 ASN A 77 18.899 -0.236 -10.361 1.00 3.00 H new ATOM 0 HD21 ASN A 77 16.187 -1.233 -8.289 1.00 4.42 H new ATOM 0 HD22 ASN A 77 17.074 -2.591 -7.588 1.00 4.42 H new ATOM 1098 N THR A 78 17.645 1.661 -6.565 1.00 2.42 N ATOM 1099 CA THR A 78 16.818 1.747 -5.358 1.00 3.13 C ATOM 1100 C THR A 78 15.804 0.603 -5.271 1.00 3.07 C ATOM 1101 O THR A 78 16.144 -0.508 -4.862 1.00 3.33 O ATOM 1102 CB THR A 78 16.099 3.102 -5.306 1.00 4.02 C ATOM 1103 OG1 THR A 78 15.420 3.364 -6.522 1.00 4.29 O ATOM 1104 CG2 THR A 78 17.031 4.267 -5.045 1.00 4.87 C ATOM 0 H THR A 78 18.592 2.019 -6.445 1.00 2.42 H new ATOM 0 HA THR A 78 17.482 1.657 -4.499 1.00 3.13 H new ATOM 0 HB THR A 78 15.400 3.020 -4.474 1.00 4.02 H new ATOM 0 HG1 THR A 78 15.022 4.259 -6.488 1.00 4.29 H new ATOM 0 HG21 THR A 78 16.457 5.194 -5.021 1.00 4.87 H new ATOM 0 HG22 THR A 78 17.531 4.125 -4.087 1.00 4.87 H new ATOM 0 HG23 THR A 78 17.776 4.322 -5.839 1.00 4.87 H new ATOM 1112 N ILE A 79 14.559 0.886 -5.654 1.00 3.06 N ATOM 1113 CA ILE A 79 13.489 -0.110 -5.616 1.00 3.21 C ATOM 1114 C ILE A 79 13.905 -1.401 -6.320 1.00 2.90 C ATOM 1115 O ILE A 79 14.352 -1.379 -7.466 1.00 3.08 O ATOM 1116 CB ILE A 79 12.189 0.422 -6.260 1.00 3.81 C ATOM 1117 CG1 ILE A 79 12.507 1.295 -7.487 1.00 4.11 C ATOM 1118 CG2 ILE A 79 11.369 1.199 -5.237 1.00 4.49 C ATOM 1119 CD1 ILE A 79 12.582 2.780 -7.190 1.00 4.56 C ATOM 0 H ILE A 79 14.266 1.801 -5.996 1.00 3.06 H new ATOM 0 HA ILE A 79 13.300 -0.320 -4.563 1.00 3.21 H new ATOM 0 HB ILE A 79 11.597 -0.429 -6.598 1.00 3.81 H new ATOM 0 HG12 ILE A 79 13.457 0.972 -7.912 1.00 4.11 H new ATOM 0 HG13 ILE A 79 11.744 1.126 -8.247 1.00 4.11 H new ATOM 0 HG21 ILE A 79 10.457 1.567 -5.706 1.00 4.49 H new ATOM 0 HG22 ILE A 79 11.111 0.544 -4.405 1.00 4.49 H new ATOM 0 HG23 ILE A 79 11.953 2.042 -4.867 1.00 4.49 H new ATOM 0 HD11 ILE A 79 12.810 3.323 -8.107 1.00 4.56 H new ATOM 0 HD12 ILE A 79 11.625 3.121 -6.795 1.00 4.56 H new ATOM 0 HD13 ILE A 79 13.365 2.965 -6.455 1.00 4.56 H new ATOM 1131 N GLY A 80 13.757 -2.523 -5.619 1.00 2.87 N ATOM 1132 CA GLY A 80 14.125 -3.813 -6.176 1.00 2.77 C ATOM 1133 C GLY A 80 14.927 -4.626 -5.184 1.00 2.49 C ATOM 1134 O GLY A 80 14.777 -5.848 -5.093 1.00 2.38 O ATOM 0 H GLY A 80 13.386 -2.560 -4.669 1.00 2.87 H new ATOM 0 HA2 GLY A 80 13.226 -4.361 -6.457 1.00 2.77 H new ATOM 0 HA3 GLY A 80 14.707 -3.667 -7.086 1.00 2.77 H new ATOM 1138 N LYS A 81 15.773 -3.929 -4.429 1.00 2.47 N ATOM 1139 CA LYS A 81 16.612 -4.563 -3.417 1.00 2.30 C ATOM 1140 C LYS A 81 15.799 -5.517 -2.539 1.00 2.13 C ATOM 1141 O LYS A 81 16.311 -6.536 -2.089 1.00 1.92 O ATOM 1142 CB LYS A 81 17.291 -3.500 -2.549 1.00 2.45 C ATOM 1143 CG LYS A 81 16.387 -2.331 -2.177 1.00 2.98 C ATOM 1144 CD LYS A 81 16.643 -1.842 -0.757 1.00 3.54 C ATOM 1145 CE LYS A 81 15.345 -1.663 0.015 1.00 4.27 C ATOM 1146 NZ LYS A 81 14.529 -2.908 0.020 1.00 4.40 N ATOM 0 H LYS A 81 15.895 -2.919 -4.500 1.00 2.47 H new ATOM 0 HA LYS A 81 17.376 -5.145 -3.932 1.00 2.30 H new ATOM 0 HB2 LYS A 81 17.654 -3.970 -1.635 1.00 2.45 H new ATOM 0 HB3 LYS A 81 18.163 -3.117 -3.078 1.00 2.45 H new ATOM 0 HG2 LYS A 81 16.547 -1.511 -2.877 1.00 2.98 H new ATOM 0 HG3 LYS A 81 15.344 -2.634 -2.274 1.00 2.98 H new ATOM 0 HD2 LYS A 81 17.282 -2.555 -0.236 1.00 3.54 H new ATOM 0 HD3 LYS A 81 17.182 -0.895 -0.789 1.00 3.54 H new ATOM 0 HE2 LYS A 81 15.570 -1.371 1.041 1.00 4.27 H new ATOM 0 HE3 LYS A 81 14.767 -0.852 -0.428 1.00 4.27 H new ATOM 0 HZ1 LYS A 81 13.803 -2.844 0.762 1.00 4.40 H new ATOM 0 HZ2 LYS A 81 14.069 -3.026 -0.906 1.00 4.40 H new ATOM 0 HZ3 LYS A 81 15.144 -3.725 0.207 1.00 4.40 H new ATOM 1160 N GLU A 82 14.534 -5.177 -2.301 1.00 2.24 N ATOM 1161 CA GLU A 82 13.653 -6.005 -1.479 1.00 2.14 C ATOM 1162 C GLU A 82 13.802 -7.484 -1.821 1.00 1.94 C ATOM 1163 O GLU A 82 14.054 -8.310 -0.942 1.00 1.76 O ATOM 1164 CB GLU A 82 12.196 -5.572 -1.669 1.00 2.37 C ATOM 1165 CG GLU A 82 11.831 -4.293 -0.928 1.00 2.74 C ATOM 1166 CD GLU A 82 11.918 -3.054 -1.803 1.00 2.68 C ATOM 1167 OE1 GLU A 82 12.874 -2.953 -2.602 1.00 2.89 O ATOM 1168 OE2 GLU A 82 11.033 -2.182 -1.686 1.00 3.00 O ATOM 0 H GLU A 82 14.095 -4.332 -2.666 1.00 2.24 H new ATOM 0 HA GLU A 82 13.940 -5.867 -0.437 1.00 2.14 H new ATOM 0 HB2 GLU A 82 12.005 -5.431 -2.733 1.00 2.37 H new ATOM 0 HB3 GLU A 82 11.541 -6.375 -1.331 1.00 2.37 H new ATOM 0 HG2 GLU A 82 10.818 -4.383 -0.536 1.00 2.74 H new ATOM 0 HG3 GLU A 82 12.495 -4.174 -0.072 1.00 2.74 H new ATOM 1175 N GLU A 83 13.653 -7.816 -3.099 1.00 2.03 N ATOM 1176 CA GLU A 83 13.783 -9.200 -3.539 1.00 1.94 C ATOM 1177 C GLU A 83 15.153 -9.742 -3.154 1.00 1.73 C ATOM 1178 O GLU A 83 15.268 -10.806 -2.545 1.00 1.57 O ATOM 1179 CB GLU A 83 13.573 -9.308 -5.054 1.00 2.17 C ATOM 1180 CG GLU A 83 13.192 -10.710 -5.519 1.00 2.39 C ATOM 1181 CD GLU A 83 11.689 -10.943 -5.571 1.00 2.51 C ATOM 1182 OE1 GLU A 83 10.922 -9.978 -5.363 1.00 2.94 O ATOM 1183 OE2 GLU A 83 11.278 -12.095 -5.818 1.00 2.93 O ATOM 0 H GLU A 83 13.444 -7.151 -3.843 1.00 2.03 H new ATOM 0 HA GLU A 83 13.015 -9.796 -3.045 1.00 1.94 H new ATOM 0 HB2 GLU A 83 12.792 -8.610 -5.355 1.00 2.17 H new ATOM 0 HB3 GLU A 83 14.487 -9.002 -5.562 1.00 2.17 H new ATOM 0 HG2 GLU A 83 13.613 -10.883 -6.509 1.00 2.39 H new ATOM 0 HG3 GLU A 83 13.642 -11.442 -4.849 1.00 2.39 H new ATOM 1190 N ILE A 84 16.193 -8.993 -3.507 1.00 1.75 N ATOM 1191 CA ILE A 84 17.560 -9.389 -3.195 1.00 1.60 C ATOM 1192 C ILE A 84 17.697 -9.748 -1.719 1.00 1.38 C ATOM 1193 O ILE A 84 18.287 -10.770 -1.373 1.00 1.22 O ATOM 1194 CB ILE A 84 18.571 -8.271 -3.540 1.00 1.73 C ATOM 1195 CG1 ILE A 84 18.309 -7.711 -4.945 1.00 2.03 C ATOM 1196 CG2 ILE A 84 19.997 -8.794 -3.432 1.00 1.57 C ATOM 1197 CD1 ILE A 84 17.960 -8.764 -5.973 1.00 2.47 C ATOM 0 H ILE A 84 16.114 -8.109 -4.009 1.00 1.75 H new ATOM 0 HA ILE A 84 17.784 -10.263 -3.806 1.00 1.60 H new ATOM 0 HB ILE A 84 18.442 -7.461 -2.823 1.00 1.73 H new ATOM 0 HG12 ILE A 84 17.495 -6.988 -4.891 1.00 2.03 H new ATOM 0 HG13 ILE A 84 19.194 -7.170 -5.280 1.00 2.03 H new ATOM 0 HG21 ILE A 84 20.697 -7.995 -3.678 1.00 1.57 H new ATOM 0 HG22 ILE A 84 20.182 -9.138 -2.415 1.00 1.57 H new ATOM 0 HG23 ILE A 84 20.134 -9.623 -4.126 1.00 1.57 H new ATOM 0 HD11 ILE A 84 17.790 -8.288 -6.938 1.00 2.47 H new ATOM 0 HD12 ILE A 84 18.782 -9.475 -6.059 1.00 2.47 H new ATOM 0 HD13 ILE A 84 17.057 -9.289 -5.663 1.00 2.47 H new ATOM 1209 N GLN A 85 17.140 -8.906 -0.850 1.00 1.45 N ATOM 1210 CA GLN A 85 17.199 -9.139 0.589 1.00 1.35 C ATOM 1211 C GLN A 85 16.672 -10.527 0.935 1.00 1.19 C ATOM 1212 O GLN A 85 17.323 -11.284 1.651 1.00 1.05 O ATOM 1213 CB GLN A 85 16.402 -8.070 1.341 1.00 1.56 C ATOM 1214 CG GLN A 85 17.225 -6.849 1.719 1.00 1.77 C ATOM 1215 CD GLN A 85 17.383 -5.876 0.567 1.00 2.36 C ATOM 1216 OE1 GLN A 85 16.487 -5.081 0.286 1.00 2.80 O ATOM 1217 NE2 GLN A 85 18.523 -5.938 -0.109 1.00 3.13 N ATOM 0 H GLN A 85 16.643 -8.057 -1.119 1.00 1.45 H new ATOM 0 HA GLN A 85 18.243 -9.079 0.898 1.00 1.35 H new ATOM 0 HB2 GLN A 85 15.562 -7.754 0.723 1.00 1.56 H new ATOM 0 HB3 GLN A 85 15.984 -8.510 2.246 1.00 1.56 H new ATOM 0 HG2 GLN A 85 16.750 -6.340 2.558 1.00 1.77 H new ATOM 0 HG3 GLN A 85 18.210 -7.170 2.057 1.00 1.77 H new ATOM 0 HE21 GLN A 85 19.239 -6.613 0.159 1.00 3.13 H new ATOM 0 HE22 GLN A 85 18.684 -5.310 -0.897 1.00 3.13 H new ATOM 1226 N GLN A 86 15.491 -10.857 0.418 1.00 1.26 N ATOM 1227 CA GLN A 86 14.887 -12.161 0.674 1.00 1.18 C ATOM 1228 C GLN A 86 15.843 -13.280 0.271 1.00 1.03 C ATOM 1229 O GLN A 86 16.063 -14.225 1.030 1.00 0.90 O ATOM 1230 CB GLN A 86 13.562 -12.300 -0.082 1.00 1.37 C ATOM 1231 CG GLN A 86 12.513 -11.281 0.337 1.00 1.47 C ATOM 1232 CD GLN A 86 11.543 -10.945 -0.780 1.00 2.31 C ATOM 1233 OE1 GLN A 86 11.513 -9.680 -1.177 1.00 2.90 O flip ATOM 1234 NE2 GLN A 86 10.830 -11.815 -1.280 1.00 3.09 N flip ATOM 0 H GLN A 86 14.936 -10.243 -0.178 1.00 1.26 H new ATOM 0 HA GLN A 86 14.686 -12.240 1.742 1.00 1.18 H new ATOM 0 HB2 GLN A 86 13.750 -12.197 -1.151 1.00 1.37 H new ATOM 0 HB3 GLN A 86 13.166 -13.303 0.077 1.00 1.37 H new ATOM 0 HG2 GLN A 86 11.957 -11.668 1.191 1.00 1.47 H new ATOM 0 HG3 GLN A 86 13.010 -10.369 0.667 1.00 1.47 H new ATOM 0 HE21 GLN A 86 10.886 -12.776 -0.943 1.00 3.09 H new ATOM 0 HE22 GLN A 86 10.183 -11.575 -2.031 1.00 3.09 H new ATOM 1243 N ARG A 87 16.416 -13.160 -0.924 1.00 1.11 N ATOM 1244 CA ARG A 87 17.358 -14.158 -1.428 1.00 1.09 C ATOM 1245 C ARG A 87 18.570 -14.269 -0.507 1.00 0.91 C ATOM 1246 O ARG A 87 18.952 -15.363 -0.092 1.00 0.87 O ATOM 1247 CB ARG A 87 17.814 -13.797 -2.845 1.00 1.29 C ATOM 1248 CG ARG A 87 16.669 -13.535 -3.811 1.00 1.78 C ATOM 1249 CD ARG A 87 16.060 -14.829 -4.334 1.00 2.22 C ATOM 1250 NE ARG A 87 15.977 -14.838 -5.792 1.00 2.81 N ATOM 1251 CZ ARG A 87 16.912 -15.351 -6.590 1.00 3.73 C ATOM 1252 NH1 ARG A 87 17.993 -15.928 -6.081 1.00 4.43 N ATOM 1253 NH2 ARG A 87 16.764 -15.293 -7.905 1.00 4.21 N ATOM 0 H ARG A 87 16.245 -12.382 -1.562 1.00 1.11 H new ATOM 0 HA ARG A 87 16.848 -15.121 -1.454 1.00 1.09 H new ATOM 0 HB2 ARG A 87 18.447 -12.911 -2.798 1.00 1.29 H new ATOM 0 HB3 ARG A 87 18.429 -14.608 -3.236 1.00 1.29 H new ATOM 0 HG2 ARG A 87 15.899 -12.948 -3.311 1.00 1.78 H new ATOM 0 HG3 ARG A 87 17.030 -12.939 -4.649 1.00 1.78 H new ATOM 0 HD2 ARG A 87 16.660 -15.675 -3.999 1.00 2.22 H new ATOM 0 HD3 ARG A 87 15.063 -14.958 -3.912 1.00 2.22 H new ATOM 0 HE ARG A 87 15.151 -14.426 -6.226 1.00 2.81 H new ATOM 0 HH11 ARG A 87 18.114 -15.982 -5.070 1.00 4.43 H new ATOM 0 HH12 ARG A 87 18.703 -16.318 -6.701 1.00 4.43 H new ATOM 0 HH21 ARG A 87 15.934 -14.856 -8.306 1.00 4.21 H new ATOM 0 HH22 ARG A 87 17.480 -15.686 -8.517 1.00 4.21 H new ATOM 1267 N LEU A 88 19.175 -13.126 -0.193 1.00 0.87 N ATOM 1268 CA LEU A 88 20.342 -13.093 0.679 1.00 0.78 C ATOM 1269 C LEU A 88 20.021 -13.744 2.019 1.00 0.71 C ATOM 1270 O LEU A 88 20.865 -14.410 2.616 1.00 0.67 O ATOM 1271 CB LEU A 88 20.807 -11.650 0.895 1.00 0.86 C ATOM 1272 CG LEU A 88 22.196 -11.503 1.528 1.00 1.04 C ATOM 1273 CD1 LEU A 88 23.287 -11.720 0.485 1.00 1.15 C ATOM 1274 CD2 LEU A 88 22.344 -10.136 2.182 1.00 1.90 C ATOM 0 H LEU A 88 18.875 -12.211 -0.530 1.00 0.87 H new ATOM 0 HA LEU A 88 21.146 -13.652 0.200 1.00 0.78 H new ATOM 0 HB2 LEU A 88 20.807 -11.137 -0.067 1.00 0.86 H new ATOM 0 HB3 LEU A 88 20.080 -11.141 1.528 1.00 0.86 H new ATOM 0 HG LEU A 88 22.304 -12.266 2.299 1.00 1.04 H new ATOM 0 HD11 LEU A 88 24.265 -11.612 0.954 1.00 1.15 H new ATOM 0 HD12 LEU A 88 23.195 -12.722 0.065 1.00 1.15 H new ATOM 0 HD13 LEU A 88 23.182 -10.982 -0.310 1.00 1.15 H new ATOM 0 HD21 LEU A 88 23.336 -10.050 2.626 1.00 1.90 H new ATOM 0 HD22 LEU A 88 22.214 -9.357 1.431 1.00 1.90 H new ATOM 0 HD23 LEU A 88 21.588 -10.020 2.959 1.00 1.90 H new ATOM 1286 N ALA A 89 18.789 -13.551 2.482 1.00 0.77 N ATOM 1287 CA ALA A 89 18.350 -14.126 3.744 1.00 0.81 C ATOM 1288 C ALA A 89 18.417 -15.647 3.688 1.00 0.74 C ATOM 1289 O ALA A 89 18.792 -16.296 4.662 1.00 0.77 O ATOM 1290 CB ALA A 89 16.939 -13.661 4.077 1.00 0.97 C ATOM 0 H ALA A 89 18.079 -13.000 2.000 1.00 0.77 H new ATOM 0 HA ALA A 89 19.019 -13.783 4.533 1.00 0.81 H new ATOM 0 HB1 ALA A 89 16.625 -14.100 5.024 1.00 0.97 H new ATOM 0 HB2 ALA A 89 16.924 -12.574 4.158 1.00 0.97 H new ATOM 0 HB3 ALA A 89 16.256 -13.976 3.288 1.00 0.97 H new ATOM 1296 N GLN A 90 18.072 -16.208 2.532 1.00 0.73 N ATOM 1297 CA GLN A 90 18.116 -17.654 2.349 1.00 0.79 C ATOM 1298 C GLN A 90 19.560 -18.137 2.395 1.00 0.73 C ATOM 1299 O GLN A 90 19.869 -19.174 2.984 1.00 0.79 O ATOM 1300 CB GLN A 90 17.467 -18.053 1.020 1.00 0.90 C ATOM 1301 CG GLN A 90 17.075 -19.522 0.945 1.00 1.35 C ATOM 1302 CD GLN A 90 16.190 -19.957 2.099 1.00 1.96 C ATOM 1303 OE1 GLN A 90 15.288 -19.231 2.514 1.00 2.38 O ATOM 1304 NE2 GLN A 90 16.448 -21.148 2.621 1.00 2.72 N ATOM 0 H GLN A 90 17.761 -15.686 1.713 1.00 0.73 H new ATOM 0 HA GLN A 90 17.555 -18.124 3.157 1.00 0.79 H new ATOM 0 HB2 GLN A 90 16.579 -17.441 0.862 1.00 0.90 H new ATOM 0 HB3 GLN A 90 18.158 -17.829 0.207 1.00 0.90 H new ATOM 0 HG2 GLN A 90 16.555 -19.706 0.005 1.00 1.35 H new ATOM 0 HG3 GLN A 90 17.977 -20.134 0.935 1.00 1.35 H new ATOM 0 HE21 GLN A 90 17.207 -21.716 2.244 1.00 2.72 H new ATOM 0 HE22 GLN A 90 15.888 -21.496 3.399 1.00 2.72 H new ATOM 1313 N PHE A 91 20.441 -17.367 1.766 1.00 0.66 N ATOM 1314 CA PHE A 91 21.861 -17.694 1.727 1.00 0.67 C ATOM 1315 C PHE A 91 22.420 -17.752 3.140 1.00 0.67 C ATOM 1316 O PHE A 91 23.020 -18.750 3.538 1.00 0.74 O ATOM 1317 CB PHE A 91 22.618 -16.641 0.903 1.00 0.65 C ATOM 1318 CG PHE A 91 23.933 -17.099 0.328 1.00 0.66 C ATOM 1319 CD1 PHE A 91 24.681 -18.110 0.919 1.00 0.93 C ATOM 1320 CD2 PHE A 91 24.414 -16.512 -0.825 1.00 1.03 C ATOM 1321 CE1 PHE A 91 25.877 -18.520 0.361 1.00 0.92 C ATOM 1322 CE2 PHE A 91 25.605 -16.916 -1.386 1.00 1.19 C ATOM 1323 CZ PHE A 91 26.339 -17.922 -0.795 1.00 0.90 C ATOM 0 H PHE A 91 20.195 -16.508 1.274 1.00 0.66 H new ATOM 0 HA PHE A 91 21.988 -18.669 1.257 1.00 0.67 H new ATOM 0 HB2 PHE A 91 21.977 -16.313 0.085 1.00 0.65 H new ATOM 0 HB3 PHE A 91 22.799 -15.771 1.534 1.00 0.65 H new ATOM 0 HD1 PHE A 91 24.324 -18.580 1.823 1.00 0.93 H new ATOM 0 HD2 PHE A 91 23.847 -15.722 -1.295 1.00 1.03 H new ATOM 0 HE1 PHE A 91 26.450 -19.307 0.828 1.00 0.92 H new ATOM 0 HE2 PHE A 91 25.964 -16.445 -2.289 1.00 1.19 H new ATOM 0 HZ PHE A 91 27.272 -18.242 -1.235 1.00 0.90 H new ATOM 1333 N VAL A 92 22.214 -16.683 3.906 1.00 0.64 N ATOM 1334 CA VAL A 92 22.708 -16.641 5.274 1.00 0.72 C ATOM 1335 C VAL A 92 22.217 -17.856 6.048 1.00 0.77 C ATOM 1336 O VAL A 92 22.988 -18.500 6.742 1.00 0.86 O ATOM 1337 CB VAL A 92 22.311 -15.332 6.005 1.00 0.77 C ATOM 1338 CG1 VAL A 92 20.991 -15.477 6.753 1.00 1.37 C ATOM 1339 CG2 VAL A 92 23.417 -14.906 6.959 1.00 0.86 C ATOM 0 H VAL A 92 21.715 -15.846 3.605 1.00 0.64 H new ATOM 0 HA VAL A 92 23.797 -16.661 5.227 1.00 0.72 H new ATOM 0 HB VAL A 92 22.174 -14.560 5.248 1.00 0.77 H new ATOM 0 HG11 VAL A 92 20.750 -14.538 7.251 1.00 1.37 H new ATOM 0 HG12 VAL A 92 20.199 -15.728 6.048 1.00 1.37 H new ATOM 0 HG13 VAL A 92 21.079 -16.269 7.496 1.00 1.37 H new ATOM 0 HG21 VAL A 92 23.126 -13.986 7.466 1.00 0.86 H new ATOM 0 HG22 VAL A 92 23.583 -15.690 7.698 1.00 0.86 H new ATOM 0 HG23 VAL A 92 24.336 -14.736 6.398 1.00 0.86 H new ATOM 1349 N ASP A 93 20.937 -18.184 5.891 1.00 0.77 N ATOM 1350 CA ASP A 93 20.356 -19.343 6.565 1.00 0.86 C ATOM 1351 C ASP A 93 21.190 -20.597 6.311 1.00 0.91 C ATOM 1352 O ASP A 93 21.682 -21.227 7.248 1.00 1.00 O ATOM 1353 CB ASP A 93 18.911 -19.569 6.103 1.00 0.90 C ATOM 1354 CG ASP A 93 18.474 -21.016 6.249 1.00 1.10 C ATOM 1355 OD1 ASP A 93 18.446 -21.513 7.395 1.00 1.55 O ATOM 1356 OD2 ASP A 93 18.171 -21.655 5.218 1.00 1.71 O ATOM 0 H ASP A 93 20.283 -17.665 5.305 1.00 0.77 H new ATOM 0 HA ASP A 93 20.354 -19.141 7.636 1.00 0.86 H new ATOM 0 HB2 ASP A 93 18.244 -18.931 6.682 1.00 0.90 H new ATOM 0 HB3 ASP A 93 18.815 -19.267 5.060 1.00 0.90 H new ATOM 1361 N HIS A 94 21.354 -20.955 5.040 1.00 0.89 N ATOM 1362 CA HIS A 94 22.126 -22.141 4.679 1.00 0.98 C ATOM 1363 C HIS A 94 23.544 -22.062 5.232 1.00 1.00 C ATOM 1364 O HIS A 94 24.035 -23.006 5.850 1.00 1.12 O ATOM 1365 CB HIS A 94 22.165 -22.301 3.161 1.00 1.00 C ATOM 1366 CG HIS A 94 20.818 -22.567 2.559 1.00 1.35 C ATOM 1367 ND1 HIS A 94 20.396 -22.472 1.271 1.00 2.17 N flip ATOM 1368 CD2 HIS A 94 19.724 -22.983 3.285 1.00 1.73 C flip ATOM 1369 CE1 HIS A 94 19.051 -22.828 1.204 1.00 2.46 C flip ATOM 1370 NE2 HIS A 94 18.697 -23.126 2.438 1.00 2.14 N flip ATOM 0 H HIS A 94 20.965 -20.444 4.247 1.00 0.89 H new ATOM 0 HA HIS A 94 21.637 -23.010 5.119 1.00 0.98 H new ATOM 0 HB2 HIS A 94 22.581 -21.396 2.718 1.00 1.00 H new ATOM 0 HB3 HIS A 94 22.838 -23.120 2.906 1.00 1.00 H new ATOM 0 HD1 HIS A 94 20.972 -22.186 0.479 1.00 2.17 H new ATOM 0 HD2 HIS A 94 19.699 -23.162 4.350 1.00 1.73 H new ATOM 0 HE1 HIS A 94 18.427 -22.854 0.323 1.00 2.46 H new ATOM 1378 N TRP A 95 24.195 -20.923 5.015 1.00 0.93 N ATOM 1379 CA TRP A 95 25.558 -20.722 5.493 1.00 1.00 C ATOM 1380 C TRP A 95 25.609 -20.794 7.016 1.00 1.06 C ATOM 1381 O TRP A 95 26.569 -21.300 7.588 1.00 1.16 O ATOM 1382 CB TRP A 95 26.096 -19.375 4.995 1.00 0.97 C ATOM 1383 CG TRP A 95 27.544 -19.130 5.315 1.00 1.09 C ATOM 1384 CD1 TRP A 95 28.082 -17.983 5.826 1.00 2.01 C ATOM 1385 CD2 TRP A 95 28.641 -20.041 5.141 1.00 1.04 C ATOM 1386 NE1 TRP A 95 29.439 -18.124 5.980 1.00 1.88 N ATOM 1387 CE2 TRP A 95 29.805 -19.377 5.571 1.00 1.04 C ATOM 1388 CE3 TRP A 95 28.756 -21.353 4.668 1.00 2.03 C ATOM 1389 CZ2 TRP A 95 31.060 -19.978 5.540 1.00 1.13 C ATOM 1390 CZ3 TRP A 95 30.001 -21.946 4.641 1.00 2.64 C ATOM 1391 CH2 TRP A 95 31.138 -21.259 5.076 1.00 2.05 C ATOM 0 H TRP A 95 23.802 -20.127 4.513 1.00 0.93 H new ATOM 0 HA TRP A 95 26.189 -21.517 5.096 1.00 1.00 H new ATOM 0 HB2 TRP A 95 25.961 -19.320 3.915 1.00 0.97 H new ATOM 0 HB3 TRP A 95 25.499 -18.575 5.432 1.00 0.97 H new ATOM 0 HD1 TRP A 95 27.521 -17.094 6.073 1.00 2.01 H new ATOM 0 HE1 TRP A 95 30.072 -17.410 6.341 1.00 1.88 H new ATOM 0 HE3 TRP A 95 27.884 -21.893 4.330 1.00 2.03 H new ATOM 0 HZ2 TRP A 95 31.941 -19.449 5.872 1.00 1.13 H new ATOM 0 HZ3 TRP A 95 30.099 -22.958 4.278 1.00 2.64 H new ATOM 0 HH2 TRP A 95 32.098 -21.752 5.044 1.00 2.05 H new ATOM 1402 N LYS A 96 24.555 -20.304 7.662 1.00 1.03 N ATOM 1403 CA LYS A 96 24.462 -20.330 9.115 1.00 1.12 C ATOM 1404 C LYS A 96 24.562 -21.767 9.617 1.00 1.21 C ATOM 1405 O LYS A 96 25.336 -22.064 10.526 1.00 1.32 O ATOM 1406 CB LYS A 96 23.152 -19.665 9.572 1.00 1.12 C ATOM 1407 CG LYS A 96 22.523 -20.281 10.815 1.00 1.49 C ATOM 1408 CD LYS A 96 21.129 -19.722 11.067 1.00 1.83 C ATOM 1409 CE LYS A 96 20.057 -20.797 10.948 1.00 2.36 C ATOM 1410 NZ LYS A 96 20.235 -21.637 9.727 1.00 2.86 N ATOM 0 H LYS A 96 23.750 -19.883 7.198 1.00 1.03 H new ATOM 0 HA LYS A 96 25.291 -19.765 9.542 1.00 1.12 H new ATOM 0 HB2 LYS A 96 23.345 -18.610 9.764 1.00 1.12 H new ATOM 0 HB3 LYS A 96 22.432 -19.714 8.755 1.00 1.12 H new ATOM 0 HG2 LYS A 96 22.467 -21.363 10.698 1.00 1.49 H new ATOM 0 HG3 LYS A 96 23.157 -20.086 11.680 1.00 1.49 H new ATOM 0 HD2 LYS A 96 21.090 -19.279 12.062 1.00 1.83 H new ATOM 0 HD3 LYS A 96 20.923 -18.924 10.354 1.00 1.83 H new ATOM 0 HE2 LYS A 96 20.084 -21.434 11.832 1.00 2.36 H new ATOM 0 HE3 LYS A 96 19.074 -20.327 10.923 1.00 2.36 H new ATOM 0 HZ1 LYS A 96 19.330 -21.708 9.219 1.00 2.86 H new ATOM 0 HZ2 LYS A 96 20.947 -21.201 9.107 1.00 2.86 H new ATOM 0 HZ3 LYS A 96 20.552 -22.588 10.003 1.00 2.86 H new ATOM 1424 N GLU A 97 23.795 -22.664 9.000 1.00 1.20 N ATOM 1425 CA GLU A 97 23.824 -24.073 9.376 1.00 1.32 C ATOM 1426 C GLU A 97 25.242 -24.622 9.223 1.00 1.36 C ATOM 1427 O GLU A 97 25.772 -25.273 10.125 1.00 1.47 O ATOM 1428 CB GLU A 97 22.842 -24.873 8.513 1.00 1.36 C ATOM 1429 CG GLU A 97 23.018 -26.381 8.610 1.00 1.86 C ATOM 1430 CD GLU A 97 22.421 -26.956 9.879 1.00 2.35 C ATOM 1431 OE1 GLU A 97 23.113 -26.943 10.918 1.00 2.68 O ATOM 1432 OE2 GLU A 97 21.261 -27.417 9.836 1.00 3.03 O ATOM 0 H GLU A 97 23.150 -22.441 8.242 1.00 1.20 H new ATOM 0 HA GLU A 97 23.521 -24.169 10.419 1.00 1.32 H new ATOM 0 HB2 GLU A 97 21.824 -24.617 8.807 1.00 1.36 H new ATOM 0 HB3 GLU A 97 22.959 -24.570 7.472 1.00 1.36 H new ATOM 0 HG2 GLU A 97 22.551 -26.854 7.746 1.00 1.86 H new ATOM 0 HG3 GLU A 97 24.080 -26.623 8.570 1.00 1.86 H new ATOM 1439 N LEU A 98 25.853 -24.342 8.074 1.00 1.31 N ATOM 1440 CA LEU A 98 27.214 -24.795 7.801 1.00 1.37 C ATOM 1441 C LEU A 98 28.166 -24.282 8.875 1.00 1.42 C ATOM 1442 O LEU A 98 28.971 -25.038 9.415 1.00 1.54 O ATOM 1443 CB LEU A 98 27.670 -24.320 6.417 1.00 1.31 C ATOM 1444 CG LEU A 98 27.364 -25.285 5.265 1.00 1.61 C ATOM 1445 CD1 LEU A 98 26.057 -24.906 4.582 1.00 2.38 C ATOM 1446 CD2 LEU A 98 28.509 -25.302 4.261 1.00 2.07 C ATOM 0 H LEU A 98 25.428 -23.805 7.319 1.00 1.31 H new ATOM 0 HA LEU A 98 27.225 -25.885 7.814 1.00 1.37 H new ATOM 0 HB2 LEU A 98 27.195 -23.362 6.204 1.00 1.31 H new ATOM 0 HB3 LEU A 98 28.745 -24.143 6.447 1.00 1.31 H new ATOM 0 HG LEU A 98 27.256 -26.288 5.678 1.00 1.61 H new ATOM 0 HD11 LEU A 98 25.857 -25.602 3.767 1.00 2.38 H new ATOM 0 HD12 LEU A 98 25.243 -24.950 5.305 1.00 2.38 H new ATOM 0 HD13 LEU A 98 26.135 -23.894 4.184 1.00 2.38 H new ATOM 0 HD21 LEU A 98 28.273 -25.993 3.451 1.00 2.07 H new ATOM 0 HD22 LEU A 98 28.651 -24.301 3.854 1.00 2.07 H new ATOM 0 HD23 LEU A 98 29.424 -25.625 4.758 1.00 2.07 H new ATOM 1458 N LYS A 99 28.055 -22.995 9.191 1.00 1.38 N ATOM 1459 CA LYS A 99 28.893 -22.386 10.214 1.00 1.47 C ATOM 1460 C LYS A 99 28.751 -23.152 11.522 1.00 1.60 C ATOM 1461 O LYS A 99 29.743 -23.549 12.128 1.00 1.74 O ATOM 1462 CB LYS A 99 28.507 -20.917 10.418 1.00 1.45 C ATOM 1463 CG LYS A 99 29.645 -20.047 10.936 1.00 1.90 C ATOM 1464 CD LYS A 99 30.719 -19.826 9.877 1.00 2.41 C ATOM 1465 CE LYS A 99 30.743 -18.384 9.390 1.00 3.14 C ATOM 1466 NZ LYS A 99 32.000 -18.063 8.658 1.00 4.07 N ATOM 0 H LYS A 99 27.393 -22.355 8.752 1.00 1.38 H new ATOM 0 HA LYS A 99 29.932 -22.428 9.887 1.00 1.47 H new ATOM 0 HB2 LYS A 99 28.153 -20.509 9.471 1.00 1.45 H new ATOM 0 HB3 LYS A 99 27.674 -20.864 11.119 1.00 1.45 H new ATOM 0 HG2 LYS A 99 29.248 -19.084 11.257 1.00 1.90 H new ATOM 0 HG3 LYS A 99 30.091 -20.517 11.813 1.00 1.90 H new ATOM 0 HD2 LYS A 99 31.694 -20.087 10.288 1.00 2.41 H new ATOM 0 HD3 LYS A 99 30.540 -20.492 9.033 1.00 2.41 H new ATOM 0 HE2 LYS A 99 29.888 -18.208 8.737 1.00 3.14 H new ATOM 0 HE3 LYS A 99 30.638 -17.712 10.242 1.00 3.14 H new ATOM 0 HZ1 LYS A 99 32.356 -17.137 8.969 1.00 4.07 H new ATOM 0 HZ2 LYS A 99 32.714 -18.793 8.857 1.00 4.07 H new ATOM 0 HZ3 LYS A 99 31.809 -18.035 7.636 1.00 4.07 H new ATOM 1480 N GLN A 100 27.507 -23.372 11.939 1.00 1.58 N ATOM 1481 CA GLN A 100 27.227 -24.111 13.166 1.00 1.72 C ATOM 1482 C GLN A 100 27.977 -25.439 13.161 1.00 1.81 C ATOM 1483 O GLN A 100 28.738 -25.736 14.082 1.00 1.95 O ATOM 1484 CB GLN A 100 25.724 -24.355 13.313 1.00 1.71 C ATOM 1485 CG GLN A 100 24.958 -23.152 13.843 1.00 1.93 C ATOM 1486 CD GLN A 100 23.466 -23.260 13.604 1.00 2.66 C ATOM 1487 OE1 GLN A 100 23.020 -22.818 12.435 1.00 3.23 O flip ATOM 1488 NE2 GLN A 100 22.720 -23.738 14.459 1.00 3.33 N flip ATOM 0 H GLN A 100 26.676 -23.048 11.444 1.00 1.58 H new ATOM 0 HA GLN A 100 27.566 -23.517 14.014 1.00 1.72 H new ATOM 0 HB2 GLN A 100 25.314 -24.637 12.343 1.00 1.71 H new ATOM 0 HB3 GLN A 100 25.566 -25.200 13.984 1.00 1.71 H new ATOM 0 HG2 GLN A 100 25.144 -23.049 14.912 1.00 1.93 H new ATOM 0 HG3 GLN A 100 25.334 -22.247 13.366 1.00 1.93 H new ATOM 0 HE21 GLN A 100 23.104 -24.066 15.345 1.00 3.33 H new ATOM 0 HE22 GLN A 100 21.718 -23.806 14.281 1.00 3.33 H new ATOM 1497 N LEU A 101 27.767 -26.228 12.110 1.00 1.77 N ATOM 1498 CA LEU A 101 28.437 -27.516 11.979 1.00 1.89 C ATOM 1499 C LEU A 101 29.944 -27.350 12.167 1.00 1.96 C ATOM 1500 O LEU A 101 30.568 -28.069 12.948 1.00 2.12 O ATOM 1501 CB LEU A 101 28.142 -28.131 10.604 1.00 1.86 C ATOM 1502 CG LEU A 101 27.791 -29.623 10.614 1.00 2.09 C ATOM 1503 CD1 LEU A 101 28.971 -30.446 11.116 1.00 2.56 C ATOM 1504 CD2 LEU A 101 26.555 -29.881 11.464 1.00 2.59 C ATOM 0 H LEU A 101 27.140 -25.997 11.339 1.00 1.77 H new ATOM 0 HA LEU A 101 28.058 -28.185 12.752 1.00 1.89 H new ATOM 0 HB2 LEU A 101 27.316 -27.584 10.149 1.00 1.86 H new ATOM 0 HB3 LEU A 101 29.012 -27.984 9.964 1.00 1.86 H new ATOM 0 HG LEU A 101 27.569 -29.929 9.592 1.00 2.09 H new ATOM 0 HD11 LEU A 101 28.704 -31.503 11.116 1.00 2.56 H new ATOM 0 HD12 LEU A 101 29.829 -30.289 10.462 1.00 2.56 H new ATOM 0 HD13 LEU A 101 29.226 -30.136 12.129 1.00 2.56 H new ATOM 0 HD21 LEU A 101 26.324 -30.946 11.457 1.00 2.59 H new ATOM 0 HD22 LEU A 101 26.743 -29.557 12.488 1.00 2.59 H new ATOM 0 HD23 LEU A 101 25.711 -29.324 11.057 1.00 2.59 H new ATOM 1516 N ALA A 102 30.519 -26.391 11.445 1.00 1.86 N ATOM 1517 CA ALA A 102 31.948 -26.112 11.533 1.00 1.95 C ATOM 1518 C ALA A 102 32.362 -25.841 12.976 1.00 2.09 C ATOM 1519 O ALA A 102 33.367 -26.368 13.454 1.00 2.24 O ATOM 1520 CB ALA A 102 32.307 -24.927 10.647 1.00 1.85 C ATOM 0 H ALA A 102 30.014 -25.793 10.791 1.00 1.86 H new ATOM 0 HA ALA A 102 32.491 -26.990 11.184 1.00 1.95 H new ATOM 0 HB1 ALA A 102 33.376 -24.728 10.721 1.00 1.85 H new ATOM 0 HB2 ALA A 102 32.051 -25.156 9.612 1.00 1.85 H new ATOM 0 HB3 ALA A 102 31.751 -24.048 10.973 1.00 1.85 H new ATOM 1526 N ALA A 103 31.573 -25.019 13.666 1.00 2.07 N ATOM 1527 CA ALA A 103 31.846 -24.680 15.058 1.00 2.24 C ATOM 1528 C ALA A 103 31.915 -25.936 15.914 1.00 2.38 C ATOM 1529 O ALA A 103 32.810 -26.081 16.745 1.00 2.56 O ATOM 1530 CB ALA A 103 30.787 -23.727 15.593 1.00 2.21 C ATOM 0 H ALA A 103 30.739 -24.576 13.281 1.00 2.07 H new ATOM 0 HA ALA A 103 32.814 -24.181 15.105 1.00 2.24 H new ATOM 0 HB1 ALA A 103 31.007 -23.485 16.633 1.00 2.21 H new ATOM 0 HB2 ALA A 103 30.787 -22.813 15.000 1.00 2.21 H new ATOM 0 HB3 ALA A 103 29.807 -24.200 15.530 1.00 2.21 H new ATOM 1536 N ALA A 104 30.967 -26.844 15.701 1.00 2.34 N ATOM 1537 CA ALA A 104 30.932 -28.097 16.445 1.00 2.50 C ATOM 1538 C ALA A 104 32.235 -28.857 16.235 1.00 2.58 C ATOM 1539 O ALA A 104 32.846 -29.351 17.185 1.00 2.74 O ATOM 1540 CB ALA A 104 29.740 -28.942 16.013 1.00 2.48 C ATOM 0 H ALA A 104 30.215 -26.735 15.021 1.00 2.34 H new ATOM 0 HA ALA A 104 30.821 -27.876 17.507 1.00 2.50 H new ATOM 0 HB1 ALA A 104 29.730 -29.873 16.579 1.00 2.48 H new ATOM 0 HB2 ALA A 104 28.817 -28.393 16.202 1.00 2.48 H new ATOM 0 HB3 ALA A 104 29.819 -29.165 14.949 1.00 2.48 H new ATOM 1546 N ARG A 105 32.655 -28.931 14.974 1.00 2.50 N ATOM 1547 CA ARG A 105 33.892 -29.608 14.611 1.00 2.60 C ATOM 1548 C ARG A 105 35.035 -29.132 15.500 1.00 2.72 C ATOM 1549 O ARG A 105 35.693 -29.931 16.166 1.00 2.88 O ATOM 1550 CB ARG A 105 34.227 -29.341 13.138 1.00 2.49 C ATOM 1551 CG ARG A 105 34.653 -30.582 12.366 1.00 2.62 C ATOM 1552 CD ARG A 105 33.578 -31.039 11.391 1.00 2.76 C ATOM 1553 NE ARG A 105 32.825 -32.178 11.905 1.00 3.19 N ATOM 1554 CZ ARG A 105 31.939 -32.864 11.191 1.00 3.86 C ATOM 1555 NH1 ARG A 105 31.667 -32.513 9.941 1.00 4.39 N ATOM 1556 NH2 ARG A 105 31.320 -33.899 11.735 1.00 4.42 N ATOM 0 H ARG A 105 32.152 -28.527 14.184 1.00 2.50 H new ATOM 0 HA ARG A 105 33.758 -30.680 14.755 1.00 2.60 H new ATOM 0 HB2 ARG A 105 33.355 -28.904 12.651 1.00 2.49 H new ATOM 0 HB3 ARG A 105 35.026 -28.601 13.086 1.00 2.49 H new ATOM 0 HG2 ARG A 105 35.573 -30.372 11.820 1.00 2.62 H new ATOM 0 HG3 ARG A 105 34.874 -31.387 13.066 1.00 2.62 H new ATOM 0 HD2 ARG A 105 32.895 -30.213 11.190 1.00 2.76 H new ATOM 0 HD3 ARG A 105 34.040 -31.308 10.441 1.00 2.76 H new ATOM 0 HE ARG A 105 32.988 -32.465 12.870 1.00 3.19 H new ATOM 0 HH11 ARG A 105 32.139 -31.712 9.522 1.00 4.39 H new ATOM 0 HH12 ARG A 105 30.986 -33.044 9.399 1.00 4.39 H new ATOM 0 HH21 ARG A 105 31.524 -34.167 12.698 1.00 4.42 H new ATOM 0 HH22 ARG A 105 30.639 -34.429 11.192 1.00 4.42 H new ATOM 1570 N GLY A 106 35.251 -27.817 15.517 1.00 2.67 N ATOM 1571 CA GLY A 106 36.307 -27.245 16.335 1.00 2.83 C ATOM 1572 C GLY A 106 36.100 -27.517 17.812 1.00 3.06 C ATOM 1573 O GLY A 106 37.059 -27.750 18.548 1.00 3.27 O ATOM 0 H GLY A 106 34.713 -27.138 14.978 1.00 2.67 H new ATOM 0 HA2 GLY A 106 37.268 -27.655 16.023 1.00 2.83 H new ATOM 0 HA3 GLY A 106 36.350 -26.169 16.168 1.00 2.83 H new ATOM 1577 N GLN A 107 34.839 -27.489 18.240 1.00 3.06 N ATOM 1578 CA GLN A 107 34.486 -27.733 19.639 1.00 3.32 C ATOM 1579 C GLN A 107 34.893 -29.136 20.077 1.00 3.48 C ATOM 1580 O GLN A 107 34.977 -29.418 21.272 1.00 3.75 O ATOM 1581 CB GLN A 107 32.983 -27.532 19.853 1.00 3.32 C ATOM 1582 CG GLN A 107 32.567 -26.071 19.919 1.00 3.59 C ATOM 1583 CD GLN A 107 31.062 -25.895 19.973 1.00 3.56 C ATOM 1584 OE1 GLN A 107 30.378 -25.981 18.954 1.00 3.65 O ATOM 1585 NE2 GLN A 107 30.538 -25.647 21.167 1.00 4.07 N ATOM 0 H GLN A 107 34.040 -27.299 17.635 1.00 3.06 H new ATOM 0 HA GLN A 107 35.033 -27.015 20.250 1.00 3.32 H new ATOM 0 HB2 GLN A 107 32.441 -28.019 19.042 1.00 3.32 H new ATOM 0 HB3 GLN A 107 32.687 -28.027 20.778 1.00 3.32 H new ATOM 0 HG2 GLN A 107 33.015 -25.609 20.799 1.00 3.59 H new ATOM 0 HG3 GLN A 107 32.960 -25.546 19.048 1.00 3.59 H new ATOM 0 HE21 GLN A 107 31.143 -25.584 21.986 1.00 4.07 H new ATOM 0 HE22 GLN A 107 29.531 -25.520 21.265 1.00 4.07 H new