USER MOD reduce.3.24.130724 H: found=0, std=0, add=732, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 730 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 90 GLN :FLIP amide:sc= -3.61! C(o=-5.5!,f=-4.7!) USER MOD Set 1.2: A 94 HIS :FLIP no HE2:sc= -1.06! C(o=-6.8!,f=-4.7!) USER MOD Set 2.1: A 78 THR OG1 : rot 97:sc= 0.552 USER MOD Set 2.2: A 81 LYS NZ :NH3+ 155:sc= 1.45 (180deg=-1.62) USER MOD Set 3.1: A 44 ASN : amide:sc= 0.406 K(o=0.96,f=-11!) USER MOD Set 3.2: A 47 LYS NZ :NH3+ -163:sc= 0.556 (180deg=-1.41!) USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 11 GLN : amide:sc= -0.527 K(o=-0.53,f=-5.7!) USER MOD Single : A 16 MET CE :methyl 151:sc= -0.0251 (180deg=-0.124) USER MOD Single : A 21 SER OG : rot -86:sc= 0.291 USER MOD Single : A 24 LYS NZ :NH3+ -114:sc= 0.754 (180deg=-0.296) USER MOD Single : A 26 LYS NZ :NH3+ 150:sc= -0.607 (180deg=-0.955) USER MOD Single : A 27 LYS NZ :NH3+ -178:sc= -0.819 (180deg=-0.834) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= -0.0289 X(o=-0.029,f=-0.023) USER MOD Single : A 48 LYS NZ :NH3+ 144:sc= -2.46! (180deg=-6.09!) USER MOD Single : A 49 HIS :FLIP no HD1:sc= 0.117 F(o=-2.5!,f=0.12) USER MOD Single : A 50 LYS NZ :NH3+ -119:sc= -0.229 (180deg=-5.34!) USER MOD Single : A 59 HIS : no HE2:sc= -14.5! C(o=-15!,f=-21!) USER MOD Single : A 64 GLN : amide:sc= -2.19! C(o=-2.2!,f=-1.8!) USER MOD Single : A 69 THR OG1 : rot 74:sc= 0.496 USER MOD Single : A 71 LYS NZ :NH3+ 135:sc= -1.53 (180deg=-3.94!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= -0.0363 USER MOD Single : A 77 ASN :FLIP amide:sc= 0.0205 F(o=-1.4,f=0.021) USER MOD Single : A 85 GLN : amide:sc= -0.056 X(o=-0.056,f=-0.35) USER MOD Single : A 86 GLN : amide:sc= 0.603 K(o=0.6,f=0) USER MOD Single : A 96 LYS NZ :NH3+ -112:sc= -0.0243 (180deg=-0.961) USER MOD Single : A 99 LYS NZ :NH3+ -142:sc= -0.351 (180deg=-0.945) USER MOD Single : A 100 GLN : amide:sc= -0.695 X(o=-0.69,f=-0.24) USER MOD Single : A 107 GLN : amide:sc= -0.271 X(o=-0.27,f=-0.0023) USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 10 21.070 -7.973 -13.835 1.00 1.70 N ATOM 2 CA HIS A 10 21.165 -9.238 -14.556 1.00 1.73 C ATOM 3 C HIS A 10 22.286 -10.101 -13.995 1.00 1.58 C ATOM 4 O HIS A 10 22.091 -11.285 -13.714 1.00 1.52 O ATOM 5 CB HIS A 10 21.396 -8.992 -16.050 1.00 2.04 C ATOM 6 CG HIS A 10 20.397 -8.063 -16.666 1.00 2.54 C ATOM 7 ND1 HIS A 10 20.716 -6.832 -17.190 1.00 3.19 N ATOM 8 CD2 HIS A 10 19.058 -8.206 -16.834 1.00 3.29 C ATOM 9 CE1 HIS A 10 19.589 -6.276 -17.651 1.00 4.01 C ATOM 10 NE2 HIS A 10 18.553 -7.071 -17.460 1.00 4.11 N ATOM 0 HA HIS A 10 20.221 -9.767 -14.427 1.00 1.73 H new ATOM 0 HB2 HIS A 10 22.396 -8.582 -16.192 1.00 2.04 H new ATOM 0 HB3 HIS A 10 21.365 -9.946 -16.576 1.00 2.04 H new ATOM 0 HD2 HIS A 10 18.477 -9.064 -16.530 1.00 3.29 H new ATOM 0 HE1 HIS A 10 19.535 -5.304 -18.118 1.00 4.01 H new ATOM 0 HE2 HIS A 10 17.583 -6.891 -17.718 1.00 4.11 H new ATOM 18 N GLN A 11 23.461 -9.503 -13.834 1.00 1.60 N ATOM 19 CA GLN A 11 24.610 -10.223 -13.303 1.00 1.56 C ATOM 20 C GLN A 11 24.310 -10.765 -11.916 1.00 1.29 C ATOM 21 O GLN A 11 24.654 -11.902 -11.598 1.00 1.26 O ATOM 22 CB GLN A 11 25.842 -9.318 -13.250 1.00 1.75 C ATOM 23 CG GLN A 11 26.791 -9.509 -14.423 1.00 2.28 C ATOM 24 CD GLN A 11 26.165 -9.140 -15.757 1.00 3.08 C ATOM 25 OE1 GLN A 11 25.070 -8.579 -15.809 1.00 3.64 O ATOM 26 NE2 GLN A 11 26.861 -9.455 -16.843 1.00 3.73 N ATOM 0 H GLN A 11 23.642 -8.526 -14.063 1.00 1.60 H new ATOM 0 HA GLN A 11 24.818 -11.059 -13.971 1.00 1.56 H new ATOM 0 HB2 GLN A 11 25.517 -8.278 -13.222 1.00 1.75 H new ATOM 0 HB3 GLN A 11 26.382 -9.508 -12.322 1.00 1.75 H new ATOM 0 HG2 GLN A 11 27.682 -8.901 -14.265 1.00 2.28 H new ATOM 0 HG3 GLN A 11 27.116 -10.549 -14.455 1.00 2.28 H new ATOM 0 HE21 GLN A 11 27.765 -9.920 -16.753 1.00 3.73 H new ATOM 0 HE22 GLN A 11 26.492 -9.232 -17.768 1.00 3.73 H new ATOM 35 N PHE A 12 23.669 -9.950 -11.082 1.00 1.14 N ATOM 36 CA PHE A 12 23.352 -10.376 -9.731 1.00 0.98 C ATOM 37 C PHE A 12 22.573 -11.680 -9.745 1.00 0.94 C ATOM 38 O PHE A 12 22.873 -12.585 -8.980 1.00 0.91 O ATOM 39 CB PHE A 12 22.565 -9.307 -8.974 1.00 0.98 C ATOM 40 CG PHE A 12 22.411 -9.637 -7.516 1.00 0.86 C ATOM 41 CD1 PHE A 12 23.516 -9.754 -6.692 1.00 0.83 C ATOM 42 CD2 PHE A 12 21.153 -9.806 -6.968 1.00 0.86 C ATOM 43 CE1 PHE A 12 23.367 -10.036 -5.352 1.00 0.77 C ATOM 44 CE2 PHE A 12 20.999 -10.084 -5.630 1.00 0.82 C ATOM 45 CZ PHE A 12 22.148 -10.291 -4.837 1.00 0.76 C ATOM 0 H PHE A 12 23.365 -9.005 -11.317 1.00 1.14 H new ATOM 0 HA PHE A 12 24.297 -10.533 -9.212 1.00 0.98 H new ATOM 0 HB2 PHE A 12 23.071 -8.347 -9.075 1.00 0.98 H new ATOM 0 HB3 PHE A 12 21.579 -9.197 -9.425 1.00 0.98 H new ATOM 0 HD1 PHE A 12 24.506 -9.623 -7.104 1.00 0.83 H new ATOM 0 HD2 PHE A 12 20.280 -9.719 -7.598 1.00 0.86 H new ATOM 0 HE1 PHE A 12 24.234 -10.053 -4.709 1.00 0.77 H new ATOM 0 HE2 PHE A 12 20.013 -10.143 -5.193 1.00 0.82 H new ATOM 0 HZ PHE A 12 22.051 -10.652 -3.824 1.00 0.76 H new ATOM 55 N PHE A 13 21.577 -11.786 -10.622 1.00 1.03 N ATOM 56 CA PHE A 13 20.786 -13.009 -10.702 1.00 1.16 C ATOM 57 C PHE A 13 21.705 -14.219 -10.780 1.00 1.12 C ATOM 58 O PHE A 13 21.583 -15.160 -9.991 1.00 1.08 O ATOM 59 CB PHE A 13 19.844 -12.979 -11.911 1.00 1.42 C ATOM 60 CG PHE A 13 18.674 -13.913 -11.775 1.00 1.67 C ATOM 61 CD1 PHE A 13 18.842 -15.282 -11.911 1.00 2.16 C ATOM 62 CD2 PHE A 13 17.403 -13.418 -11.526 1.00 1.91 C ATOM 63 CE1 PHE A 13 17.763 -16.140 -11.801 1.00 2.70 C ATOM 64 CE2 PHE A 13 16.322 -14.272 -11.414 1.00 2.42 C ATOM 65 CZ PHE A 13 16.517 -15.645 -11.494 1.00 2.77 C ATOM 0 H PHE A 13 21.303 -11.053 -11.276 1.00 1.03 H new ATOM 0 HA PHE A 13 20.176 -13.081 -9.802 1.00 1.16 H new ATOM 0 HB2 PHE A 13 19.475 -11.963 -12.050 1.00 1.42 H new ATOM 0 HB3 PHE A 13 20.406 -13.240 -12.808 1.00 1.42 H new ATOM 0 HD1 PHE A 13 19.826 -15.683 -12.105 1.00 2.16 H new ATOM 0 HD2 PHE A 13 17.256 -12.353 -11.418 1.00 1.91 H new ATOM 0 HE1 PHE A 13 17.899 -17.200 -11.956 1.00 2.70 H new ATOM 0 HE2 PHE A 13 15.329 -13.873 -11.265 1.00 2.42 H new ATOM 0 HZ PHE A 13 15.694 -16.321 -11.316 1.00 2.77 H new ATOM 75 N ARG A 14 22.647 -14.182 -11.718 1.00 1.21 N ATOM 76 CA ARG A 14 23.597 -15.274 -11.873 1.00 1.30 C ATOM 77 C ARG A 14 24.397 -15.462 -10.592 1.00 1.14 C ATOM 78 O ARG A 14 24.467 -16.563 -10.052 1.00 1.12 O ATOM 79 CB ARG A 14 24.538 -15.023 -13.059 1.00 1.55 C ATOM 80 CG ARG A 14 25.244 -16.279 -13.556 1.00 1.71 C ATOM 81 CD ARG A 14 26.588 -16.474 -12.872 1.00 2.48 C ATOM 82 NE ARG A 14 27.127 -17.816 -13.088 1.00 2.80 N ATOM 83 CZ ARG A 14 26.716 -18.895 -12.427 1.00 3.53 C ATOM 84 NH1 ARG A 14 25.748 -18.800 -11.527 1.00 4.35 N ATOM 85 NH2 ARG A 14 27.271 -20.074 -12.674 1.00 3.79 N ATOM 0 H ARG A 14 22.771 -13.413 -12.377 1.00 1.21 H new ATOM 0 HA ARG A 14 23.036 -16.186 -12.075 1.00 1.30 H new ATOM 0 HB2 ARG A 14 23.967 -14.589 -13.880 1.00 1.55 H new ATOM 0 HB3 ARG A 14 25.287 -14.287 -12.768 1.00 1.55 H new ATOM 0 HG2 ARG A 14 24.613 -17.148 -13.373 1.00 1.71 H new ATOM 0 HG3 ARG A 14 25.390 -16.212 -14.634 1.00 1.71 H new ATOM 0 HD2 ARG A 14 27.296 -15.735 -13.248 1.00 2.48 H new ATOM 0 HD3 ARG A 14 26.479 -16.296 -11.802 1.00 2.48 H new ATOM 0 HE ARG A 14 27.861 -17.932 -13.786 1.00 2.80 H new ATOM 0 HH11 ARG A 14 25.314 -17.896 -11.338 1.00 4.35 H new ATOM 0 HH12 ARG A 14 25.437 -19.630 -11.023 1.00 4.35 H new ATOM 0 HH21 ARG A 14 28.012 -20.153 -13.370 1.00 3.79 H new ATOM 0 HH22 ARG A 14 26.957 -20.902 -12.168 1.00 3.79 H new ATOM 99 N ASP A 15 24.999 -14.379 -10.104 1.00 1.12 N ATOM 100 CA ASP A 15 25.785 -14.438 -8.876 1.00 1.14 C ATOM 101 C ASP A 15 24.994 -15.114 -7.761 1.00 1.00 C ATOM 102 O ASP A 15 25.518 -15.959 -7.040 1.00 1.05 O ATOM 103 CB ASP A 15 26.203 -13.031 -8.425 1.00 1.29 C ATOM 104 CG ASP A 15 27.020 -12.278 -9.460 1.00 1.49 C ATOM 105 OD1 ASP A 15 27.142 -12.765 -10.605 1.00 1.84 O ATOM 106 OD2 ASP A 15 27.542 -11.193 -9.120 1.00 2.10 O ATOM 0 H ASP A 15 24.958 -13.457 -10.538 1.00 1.12 H new ATOM 0 HA ASP A 15 26.680 -15.024 -9.085 1.00 1.14 H new ATOM 0 HB2 ASP A 15 25.309 -12.453 -8.190 1.00 1.29 H new ATOM 0 HB3 ASP A 15 26.782 -13.111 -7.505 1.00 1.29 H new ATOM 111 N MET A 16 23.725 -14.732 -7.627 1.00 0.93 N ATOM 112 CA MET A 16 22.859 -15.292 -6.599 1.00 0.98 C ATOM 113 C MET A 16 22.822 -16.811 -6.692 1.00 0.88 C ATOM 114 O MET A 16 23.172 -17.507 -5.736 1.00 0.88 O ATOM 115 CB MET A 16 21.441 -14.724 -6.727 1.00 1.15 C ATOM 116 CG MET A 16 20.664 -14.721 -5.420 1.00 1.45 C ATOM 117 SD MET A 16 21.109 -13.339 -4.349 1.00 1.92 S ATOM 118 CE MET A 16 21.999 -14.185 -3.044 1.00 2.23 C ATOM 0 H MET A 16 23.276 -14.035 -8.221 1.00 0.93 H new ATOM 0 HA MET A 16 23.265 -15.014 -5.626 1.00 0.98 H new ATOM 0 HB2 MET A 16 21.501 -13.704 -7.106 1.00 1.15 H new ATOM 0 HB3 MET A 16 20.891 -15.307 -7.465 1.00 1.15 H new ATOM 0 HG2 MET A 16 19.597 -14.678 -5.637 1.00 1.45 H new ATOM 0 HG3 MET A 16 20.845 -15.657 -4.892 1.00 1.45 H new ATOM 0 HE1 MET A 16 22.743 -13.513 -2.616 1.00 2.23 H new ATOM 0 HE2 MET A 16 21.299 -14.493 -2.267 1.00 2.23 H new ATOM 0 HE3 MET A 16 22.497 -15.064 -3.454 1.00 2.23 H new ATOM 128 N ASP A 17 22.402 -17.325 -7.848 1.00 0.91 N ATOM 129 CA ASP A 17 22.331 -18.765 -8.041 1.00 0.97 C ATOM 130 C ASP A 17 23.692 -19.401 -7.792 1.00 0.88 C ATOM 131 O ASP A 17 23.789 -20.399 -7.088 1.00 0.86 O ATOM 132 CB ASP A 17 21.804 -19.117 -9.443 1.00 1.19 C ATOM 133 CG ASP A 17 20.289 -19.208 -9.521 1.00 1.80 C ATOM 134 OD1 ASP A 17 19.621 -18.154 -9.432 1.00 2.46 O ATOM 135 OD2 ASP A 17 19.770 -20.331 -9.682 1.00 2.44 O ATOM 0 H ASP A 17 22.110 -16.770 -8.653 1.00 0.91 H new ATOM 0 HA ASP A 17 21.624 -19.170 -7.317 1.00 0.97 H new ATOM 0 HB2 ASP A 17 22.151 -18.365 -10.151 1.00 1.19 H new ATOM 0 HB3 ASP A 17 22.233 -20.070 -9.754 1.00 1.19 H new ATOM 140 N ASP A 18 24.744 -18.810 -8.356 1.00 0.95 N ATOM 141 CA ASP A 18 26.095 -19.331 -8.170 1.00 1.09 C ATOM 142 C ASP A 18 26.417 -19.454 -6.686 1.00 1.01 C ATOM 143 O ASP A 18 26.991 -20.451 -6.248 1.00 1.05 O ATOM 144 CB ASP A 18 27.121 -18.427 -8.866 1.00 1.33 C ATOM 145 CG ASP A 18 28.151 -19.202 -9.673 1.00 1.90 C ATOM 146 OD1 ASP A 18 27.901 -20.385 -9.992 1.00 2.49 O ATOM 147 OD2 ASP A 18 29.208 -18.620 -9.994 1.00 2.48 O ATOM 0 H ASP A 18 24.687 -17.976 -8.941 1.00 0.95 H new ATOM 0 HA ASP A 18 26.147 -20.322 -8.620 1.00 1.09 H new ATOM 0 HB2 ASP A 18 26.598 -17.735 -9.526 1.00 1.33 H new ATOM 0 HB3 ASP A 18 27.634 -17.826 -8.116 1.00 1.33 H new ATOM 152 N GLU A 19 26.029 -18.443 -5.915 1.00 1.02 N ATOM 153 CA GLU A 19 26.264 -18.451 -4.479 1.00 1.12 C ATOM 154 C GLU A 19 25.474 -19.586 -3.838 1.00 0.89 C ATOM 155 O GLU A 19 26.044 -20.524 -3.276 1.00 0.88 O ATOM 156 CB GLU A 19 25.851 -17.111 -3.876 1.00 1.38 C ATOM 157 CG GLU A 19 26.532 -16.823 -2.557 1.00 2.04 C ATOM 158 CD GLU A 19 25.922 -15.645 -1.817 1.00 2.53 C ATOM 159 OE1 GLU A 19 24.706 -15.680 -1.536 1.00 3.02 O ATOM 160 OE2 GLU A 19 26.658 -14.683 -1.526 1.00 3.07 O ATOM 0 H GLU A 19 25.552 -17.611 -6.261 1.00 1.02 H new ATOM 0 HA GLU A 19 27.326 -18.606 -4.288 1.00 1.12 H new ATOM 0 HB2 GLU A 19 26.085 -16.314 -4.581 1.00 1.38 H new ATOM 0 HB3 GLU A 19 24.771 -17.101 -3.731 1.00 1.38 H new ATOM 0 HG2 GLU A 19 26.477 -17.709 -1.925 1.00 2.04 H new ATOM 0 HG3 GLU A 19 27.589 -16.624 -2.736 1.00 2.04 H new ATOM 167 N GLU A 20 24.153 -19.509 -3.958 1.00 0.84 N ATOM 168 CA GLU A 20 23.278 -20.549 -3.430 1.00 0.84 C ATOM 169 C GLU A 20 23.812 -21.925 -3.834 1.00 0.73 C ATOM 170 O GLU A 20 23.763 -22.878 -3.059 1.00 0.78 O ATOM 171 CB GLU A 20 21.851 -20.355 -3.955 1.00 1.03 C ATOM 172 CG GLU A 20 20.773 -20.615 -2.913 1.00 1.61 C ATOM 173 CD GLU A 20 20.811 -22.032 -2.372 1.00 1.98 C ATOM 174 OE1 GLU A 20 20.909 -22.977 -3.184 1.00 2.49 O ATOM 175 OE2 GLU A 20 20.742 -22.197 -1.136 1.00 2.50 O ATOM 0 H GLU A 20 23.665 -18.739 -4.415 1.00 0.84 H new ATOM 0 HA GLU A 20 23.258 -20.482 -2.342 1.00 0.84 H new ATOM 0 HB2 GLU A 20 21.746 -19.336 -4.326 1.00 1.03 H new ATOM 0 HB3 GLU A 20 21.692 -21.021 -4.803 1.00 1.03 H new ATOM 0 HG2 GLU A 20 20.893 -19.912 -2.088 1.00 1.61 H new ATOM 0 HG3 GLU A 20 19.794 -20.425 -3.353 1.00 1.61 H new ATOM 182 N SER A 21 24.344 -22.006 -5.054 1.00 0.75 N ATOM 183 CA SER A 21 24.916 -23.243 -5.568 1.00 0.89 C ATOM 184 C SER A 21 26.019 -23.728 -4.634 1.00 0.84 C ATOM 185 O SER A 21 26.009 -24.878 -4.195 1.00 0.91 O ATOM 186 CB SER A 21 25.465 -23.024 -6.987 1.00 1.14 C ATOM 187 OG SER A 21 26.864 -23.243 -7.044 1.00 1.59 O ATOM 0 H SER A 21 24.389 -21.222 -5.705 1.00 0.75 H new ATOM 0 HA SER A 21 24.138 -24.005 -5.616 1.00 0.89 H new ATOM 0 HB2 SER A 21 24.962 -23.698 -7.681 1.00 1.14 H new ATOM 0 HB3 SER A 21 25.242 -22.008 -7.312 1.00 1.14 H new ATOM 0 HG SER A 21 27.334 -22.416 -6.808 1.00 1.59 H new ATOM 193 N TRP A 22 26.957 -22.834 -4.313 1.00 0.91 N ATOM 194 CA TRP A 22 28.054 -23.178 -3.413 1.00 1.05 C ATOM 195 C TRP A 22 27.505 -23.840 -2.151 1.00 0.87 C ATOM 196 O TRP A 22 28.030 -24.852 -1.695 1.00 0.92 O ATOM 197 CB TRP A 22 28.886 -21.942 -3.034 1.00 1.38 C ATOM 198 CG TRP A 22 29.756 -22.192 -1.839 1.00 1.53 C ATOM 199 CD1 TRP A 22 31.070 -22.577 -1.829 1.00 2.19 C ATOM 200 CD2 TRP A 22 29.356 -22.107 -0.467 1.00 1.39 C ATOM 201 NE1 TRP A 22 31.494 -22.746 -0.530 1.00 2.16 N ATOM 202 CE2 TRP A 22 30.465 -22.466 0.309 1.00 1.65 C ATOM 203 CE3 TRP A 22 28.170 -21.765 0.184 1.00 1.73 C ATOM 204 CZ2 TRP A 22 30.425 -22.503 1.685 1.00 1.79 C ATOM 205 CZ3 TRP A 22 28.134 -21.798 1.561 1.00 2.24 C ATOM 206 CH2 TRP A 22 29.255 -22.170 2.299 1.00 2.11 C ATOM 0 H TRP A 22 26.977 -21.875 -4.661 1.00 0.91 H new ATOM 0 HA TRP A 22 28.708 -23.874 -3.937 1.00 1.05 H new ATOM 0 HB2 TRP A 22 29.508 -21.651 -3.880 1.00 1.38 H new ATOM 0 HB3 TRP A 22 28.218 -21.106 -2.827 1.00 1.38 H new ATOM 0 HD1 TRP A 22 31.681 -22.726 -2.707 1.00 2.19 H new ATOM 0 HE1 TRP A 22 32.430 -23.035 -0.245 1.00 2.16 H new ATOM 0 HE3 TRP A 22 27.295 -21.479 -0.382 1.00 1.73 H new ATOM 0 HZ2 TRP A 22 31.294 -22.787 2.260 1.00 1.79 H new ATOM 0 HZ3 TRP A 22 27.223 -21.531 2.076 1.00 2.24 H new ATOM 0 HH2 TRP A 22 29.196 -22.195 3.377 1.00 2.11 H new ATOM 217 N ILE A 23 26.449 -23.255 -1.584 1.00 0.80 N ATOM 218 CA ILE A 23 25.831 -23.802 -0.378 1.00 0.90 C ATOM 219 C ILE A 23 25.630 -25.313 -0.516 1.00 0.87 C ATOM 220 O ILE A 23 26.123 -26.095 0.301 1.00 0.95 O ATOM 221 CB ILE A 23 24.481 -23.094 -0.057 1.00 1.16 C ATOM 222 CG1 ILE A 23 24.519 -22.466 1.343 1.00 1.34 C ATOM 223 CG2 ILE A 23 23.293 -24.047 -0.169 1.00 1.46 C ATOM 224 CD1 ILE A 23 24.960 -23.420 2.435 1.00 1.92 C ATOM 0 H ILE A 23 26.007 -22.407 -1.939 1.00 0.80 H new ATOM 0 HA ILE A 23 26.507 -23.616 0.456 1.00 0.90 H new ATOM 0 HB ILE A 23 24.348 -22.308 -0.800 1.00 1.16 H new ATOM 0 HG12 ILE A 23 25.194 -21.610 1.328 1.00 1.34 H new ATOM 0 HG13 ILE A 23 23.527 -22.085 1.586 1.00 1.34 H new ATOM 0 HG21 ILE A 23 22.373 -23.511 0.063 1.00 1.46 H new ATOM 0 HG22 ILE A 23 23.237 -24.441 -1.184 1.00 1.46 H new ATOM 0 HG23 ILE A 23 23.420 -24.871 0.533 1.00 1.46 H new ATOM 0 HD11 ILE A 23 24.961 -22.901 3.393 1.00 1.92 H new ATOM 0 HD12 ILE A 23 24.272 -24.264 2.480 1.00 1.92 H new ATOM 0 HD13 ILE A 23 25.965 -23.782 2.218 1.00 1.92 H new ATOM 236 N LYS A 24 24.922 -25.721 -1.568 1.00 0.92 N ATOM 237 CA LYS A 24 24.670 -27.139 -1.818 1.00 1.18 C ATOM 238 C LYS A 24 25.980 -27.907 -1.951 1.00 1.21 C ATOM 239 O LYS A 24 26.119 -29.014 -1.430 1.00 1.38 O ATOM 240 CB LYS A 24 23.836 -27.321 -3.090 1.00 1.40 C ATOM 241 CG LYS A 24 22.351 -27.052 -2.896 1.00 2.00 C ATOM 242 CD LYS A 24 21.550 -27.409 -4.142 1.00 2.68 C ATOM 243 CE LYS A 24 20.793 -26.208 -4.688 1.00 3.24 C ATOM 244 NZ LYS A 24 21.708 -25.091 -5.050 1.00 3.58 N ATOM 0 H LYS A 24 24.514 -25.092 -2.259 1.00 0.92 H new ATOM 0 HA LYS A 24 24.115 -27.535 -0.968 1.00 1.18 H new ATOM 0 HB2 LYS A 24 24.218 -26.654 -3.862 1.00 1.40 H new ATOM 0 HB3 LYS A 24 23.966 -28.340 -3.456 1.00 1.40 H new ATOM 0 HG2 LYS A 24 21.983 -27.630 -2.048 1.00 2.00 H new ATOM 0 HG3 LYS A 24 22.200 -26.000 -2.654 1.00 2.00 H new ATOM 0 HD2 LYS A 24 22.222 -27.795 -4.909 1.00 2.68 H new ATOM 0 HD3 LYS A 24 20.845 -28.206 -3.906 1.00 2.68 H new ATOM 0 HE2 LYS A 24 20.222 -26.508 -5.566 1.00 3.24 H new ATOM 0 HE3 LYS A 24 20.075 -25.862 -3.944 1.00 3.24 H new ATOM 0 HZ1 LYS A 24 21.534 -24.282 -4.420 1.00 3.58 H new ATOM 0 HZ2 LYS A 24 22.695 -25.403 -4.948 1.00 3.58 H new ATOM 0 HZ3 LYS A 24 21.535 -24.806 -6.035 1.00 3.58 H new ATOM 258 N GLU A 25 26.933 -27.314 -2.662 1.00 1.18 N ATOM 259 CA GLU A 25 28.232 -27.939 -2.875 1.00 1.40 C ATOM 260 C GLU A 25 28.930 -28.225 -1.548 1.00 1.37 C ATOM 261 O GLU A 25 29.524 -29.288 -1.374 1.00 1.59 O ATOM 262 CB GLU A 25 29.108 -27.044 -3.760 1.00 1.58 C ATOM 263 CG GLU A 25 30.588 -27.402 -3.739 1.00 2.34 C ATOM 264 CD GLU A 25 30.884 -28.710 -4.451 1.00 2.86 C ATOM 265 OE1 GLU A 25 30.575 -28.812 -5.658 1.00 3.45 O ATOM 266 OE2 GLU A 25 31.418 -29.632 -3.802 1.00 3.26 O ATOM 0 H GLU A 25 26.829 -26.399 -3.101 1.00 1.18 H new ATOM 0 HA GLU A 25 28.074 -28.891 -3.381 1.00 1.40 H new ATOM 0 HB2 GLU A 25 28.746 -27.102 -4.787 1.00 1.58 H new ATOM 0 HB3 GLU A 25 28.991 -26.009 -3.439 1.00 1.58 H new ATOM 0 HG2 GLU A 25 31.158 -26.600 -4.208 1.00 2.34 H new ATOM 0 HG3 GLU A 25 30.926 -27.471 -2.705 1.00 2.34 H new ATOM 273 N LYS A 26 28.855 -27.283 -0.611 1.00 1.19 N ATOM 274 CA LYS A 26 29.484 -27.467 0.690 1.00 1.29 C ATOM 275 C LYS A 26 28.840 -28.631 1.427 1.00 1.31 C ATOM 276 O LYS A 26 29.533 -29.534 1.882 1.00 1.49 O ATOM 277 CB LYS A 26 29.398 -26.188 1.529 1.00 1.34 C ATOM 278 CG LYS A 26 29.665 -26.393 3.019 1.00 1.63 C ATOM 279 CD LYS A 26 31.130 -26.155 3.369 1.00 2.01 C ATOM 280 CE LYS A 26 31.803 -27.417 3.890 1.00 2.27 C ATOM 281 NZ LYS A 26 32.176 -28.345 2.787 1.00 2.77 N ATOM 0 H LYS A 26 28.370 -26.394 -0.728 1.00 1.19 H new ATOM 0 HA LYS A 26 30.538 -27.693 0.529 1.00 1.29 H new ATOM 0 HB2 LYS A 26 30.114 -25.464 1.140 1.00 1.34 H new ATOM 0 HB3 LYS A 26 28.406 -25.753 1.406 1.00 1.34 H new ATOM 0 HG2 LYS A 26 29.038 -25.714 3.597 1.00 1.63 H new ATOM 0 HG3 LYS A 26 29.383 -27.407 3.303 1.00 1.63 H new ATOM 0 HD2 LYS A 26 31.661 -25.799 2.486 1.00 2.01 H new ATOM 0 HD3 LYS A 26 31.200 -25.369 4.121 1.00 2.01 H new ATOM 0 HE2 LYS A 26 32.696 -27.146 4.453 1.00 2.27 H new ATOM 0 HE3 LYS A 26 31.132 -27.927 4.582 1.00 2.27 H new ATOM 0 HZ1 LYS A 26 33.019 -28.889 3.061 1.00 2.77 H new ATOM 0 HZ2 LYS A 26 31.388 -28.998 2.602 1.00 2.77 H new ATOM 0 HZ3 LYS A 26 32.381 -27.797 1.927 1.00 2.77 H new ATOM 295 N LYS A 27 27.513 -28.609 1.536 1.00 1.25 N ATOM 296 CA LYS A 27 26.789 -29.677 2.221 1.00 1.48 C ATOM 297 C LYS A 27 27.194 -31.046 1.672 1.00 1.65 C ATOM 298 O LYS A 27 27.419 -31.992 2.431 1.00 1.84 O ATOM 299 CB LYS A 27 25.278 -29.474 2.075 1.00 1.61 C ATOM 300 CG LYS A 27 24.448 -30.416 2.935 1.00 2.10 C ATOM 301 CD LYS A 27 22.999 -29.953 3.045 1.00 2.50 C ATOM 302 CE LYS A 27 22.447 -30.154 4.448 1.00 3.05 C ATOM 303 NZ LYS A 27 23.168 -29.325 5.454 1.00 3.62 N ATOM 0 H LYS A 27 26.921 -27.868 1.161 1.00 1.25 H new ATOM 0 HA LYS A 27 27.048 -29.641 3.279 1.00 1.48 H new ATOM 0 HB2 LYS A 27 25.032 -28.445 2.337 1.00 1.61 H new ATOM 0 HB3 LYS A 27 25.001 -29.612 1.030 1.00 1.61 H new ATOM 0 HG2 LYS A 27 24.478 -31.419 2.509 1.00 2.10 H new ATOM 0 HG3 LYS A 27 24.886 -30.480 3.931 1.00 2.10 H new ATOM 0 HD2 LYS A 27 22.933 -28.899 2.776 1.00 2.50 H new ATOM 0 HD3 LYS A 27 22.386 -30.503 2.331 1.00 2.50 H new ATOM 0 HE2 LYS A 27 21.387 -29.900 4.461 1.00 3.05 H new ATOM 0 HE3 LYS A 27 22.526 -31.206 4.722 1.00 3.05 H new ATOM 0 HZ1 LYS A 27 22.784 -29.517 6.401 1.00 3.62 H new ATOM 0 HZ2 LYS A 27 24.181 -29.561 5.437 1.00 3.62 H new ATOM 0 HZ3 LYS A 27 23.043 -28.318 5.227 1.00 3.62 H new ATOM 317 N LEU A 28 27.296 -31.144 0.349 1.00 1.65 N ATOM 318 CA LEU A 28 27.682 -32.398 -0.291 1.00 1.92 C ATOM 319 C LEU A 28 29.157 -32.687 -0.047 1.00 1.96 C ATOM 320 O LEU A 28 29.562 -33.843 0.090 1.00 2.16 O ATOM 321 CB LEU A 28 27.401 -32.339 -1.797 1.00 2.05 C ATOM 322 CG LEU A 28 26.644 -33.545 -2.366 1.00 2.51 C ATOM 323 CD1 LEU A 28 25.156 -33.432 -2.063 1.00 3.19 C ATOM 324 CD2 LEU A 28 26.877 -33.663 -3.866 1.00 2.78 C ATOM 0 H LEU A 28 27.118 -30.375 -0.297 1.00 1.65 H new ATOM 0 HA LEU A 28 27.090 -33.202 0.145 1.00 1.92 H new ATOM 0 HB2 LEU A 28 26.827 -31.437 -2.009 1.00 2.05 H new ATOM 0 HB3 LEU A 28 28.350 -32.244 -2.324 1.00 2.05 H new ATOM 0 HG LEU A 28 27.025 -34.447 -1.888 1.00 2.51 H new ATOM 0 HD11 LEU A 28 24.634 -34.296 -2.474 1.00 3.19 H new ATOM 0 HD12 LEU A 28 25.006 -33.397 -0.984 1.00 3.19 H new ATOM 0 HD13 LEU A 28 24.761 -32.522 -2.514 1.00 3.19 H new ATOM 0 HD21 LEU A 28 26.332 -34.524 -4.252 1.00 2.78 H new ATOM 0 HD22 LEU A 28 26.524 -32.758 -4.361 1.00 2.78 H new ATOM 0 HD23 LEU A 28 27.942 -33.791 -4.060 1.00 2.78 H new ATOM 336 N LEU A 29 29.955 -31.625 0.006 1.00 1.84 N ATOM 337 CA LEU A 29 31.388 -31.756 0.234 1.00 2.00 C ATOM 338 C LEU A 29 31.665 -32.309 1.625 1.00 2.03 C ATOM 339 O LEU A 29 32.597 -33.086 1.809 1.00 2.24 O ATOM 340 CB LEU A 29 32.085 -30.405 0.052 1.00 2.00 C ATOM 341 CG LEU A 29 33.608 -30.421 0.239 1.00 2.43 C ATOM 342 CD1 LEU A 29 34.256 -31.450 -0.681 1.00 3.02 C ATOM 343 CD2 LEU A 29 34.190 -29.035 -0.008 1.00 3.08 C ATOM 0 H LEU A 29 29.632 -30.664 -0.106 1.00 1.84 H new ATOM 0 HA LEU A 29 31.786 -32.456 -0.500 1.00 2.00 H new ATOM 0 HB2 LEU A 29 31.862 -30.032 -0.948 1.00 2.00 H new ATOM 0 HB3 LEU A 29 31.656 -29.696 0.760 1.00 2.00 H new ATOM 0 HG LEU A 29 33.823 -30.706 1.269 1.00 2.43 H new ATOM 0 HD11 LEU A 29 35.336 -31.443 -0.531 1.00 3.02 H new ATOM 0 HD12 LEU A 29 33.864 -32.441 -0.452 1.00 3.02 H new ATOM 0 HD13 LEU A 29 34.032 -31.202 -1.719 1.00 3.02 H new ATOM 0 HD21 LEU A 29 35.271 -29.065 0.129 1.00 3.08 H new ATOM 0 HD22 LEU A 29 33.962 -28.721 -1.026 1.00 3.08 H new ATOM 0 HD23 LEU A 29 33.754 -28.327 0.697 1.00 3.08 H new ATOM 355 N VAL A 30 30.853 -31.908 2.603 1.00 1.90 N ATOM 356 CA VAL A 30 31.022 -32.372 3.968 1.00 2.05 C ATOM 357 C VAL A 30 30.907 -33.887 4.044 1.00 2.27 C ATOM 358 O VAL A 30 31.762 -34.559 4.621 1.00 2.48 O ATOM 359 CB VAL A 30 29.983 -31.744 4.917 1.00 2.03 C ATOM 360 CG1 VAL A 30 30.460 -31.846 6.352 1.00 2.26 C ATOM 361 CG2 VAL A 30 29.713 -30.295 4.545 1.00 2.35 C ATOM 0 H VAL A 30 30.074 -31.263 2.469 1.00 1.90 H new ATOM 0 HA VAL A 30 32.018 -32.063 4.284 1.00 2.05 H new ATOM 0 HB VAL A 30 29.048 -32.295 4.818 1.00 2.03 H new ATOM 0 HG11 VAL A 30 29.719 -31.399 7.014 1.00 2.26 H new ATOM 0 HG12 VAL A 30 30.598 -32.895 6.616 1.00 2.26 H new ATOM 0 HG13 VAL A 30 31.407 -31.318 6.459 1.00 2.26 H new ATOM 0 HG21 VAL A 30 28.976 -29.875 5.230 1.00 2.35 H new ATOM 0 HG22 VAL A 30 30.639 -29.723 4.612 1.00 2.35 H new ATOM 0 HG23 VAL A 30 29.330 -30.246 3.526 1.00 2.35 H new ATOM 371 N SER A 31 29.842 -34.421 3.455 1.00 2.30 N ATOM 372 CA SER A 31 29.608 -35.859 3.456 1.00 2.61 C ATOM 373 C SER A 31 30.841 -36.624 2.973 1.00 2.74 C ATOM 374 O SER A 31 31.134 -37.717 3.462 1.00 3.01 O ATOM 375 CB SER A 31 28.399 -36.196 2.577 1.00 2.70 C ATOM 376 OG SER A 31 27.276 -35.402 2.925 1.00 2.71 O ATOM 0 H SER A 31 29.127 -33.878 2.971 1.00 2.30 H new ATOM 0 HA SER A 31 29.403 -36.166 4.481 1.00 2.61 H new ATOM 0 HB2 SER A 31 28.651 -36.035 1.529 1.00 2.70 H new ATOM 0 HB3 SER A 31 28.150 -37.251 2.686 1.00 2.70 H new ATOM 0 HG SER A 31 26.519 -35.636 2.348 1.00 2.71 H new ATOM 382 N SER A 32 31.548 -36.053 2.000 1.00 2.63 N ATOM 383 CA SER A 32 32.740 -36.688 1.438 1.00 2.85 C ATOM 384 C SER A 32 33.982 -36.468 2.306 1.00 2.93 C ATOM 385 O SER A 32 34.674 -37.422 2.665 1.00 3.19 O ATOM 386 CB SER A 32 32.995 -36.158 0.025 1.00 2.84 C ATOM 387 OG SER A 32 31.777 -35.850 -0.631 1.00 3.16 O ATOM 0 H SER A 32 31.317 -35.151 1.584 1.00 2.63 H new ATOM 0 HA SER A 32 32.551 -37.761 1.406 1.00 2.85 H new ATOM 0 HB2 SER A 32 33.621 -35.267 0.075 1.00 2.84 H new ATOM 0 HB3 SER A 32 33.545 -36.901 -0.552 1.00 2.84 H new ATOM 0 HG SER A 32 31.967 -35.512 -1.531 1.00 3.16 H new ATOM 393 N GLU A 33 34.271 -35.206 2.617 1.00 2.79 N ATOM 394 CA GLU A 33 35.442 -34.854 3.420 1.00 2.95 C ATOM 395 C GLU A 33 35.462 -35.614 4.744 1.00 3.13 C ATOM 396 O GLU A 33 36.527 -35.997 5.228 1.00 3.53 O ATOM 397 CB GLU A 33 35.486 -33.339 3.675 1.00 3.57 C ATOM 398 CG GLU A 33 34.537 -32.869 4.771 1.00 3.89 C ATOM 399 CD GLU A 33 34.513 -31.358 4.937 1.00 3.97 C ATOM 400 OE1 GLU A 33 33.956 -30.665 4.055 1.00 4.15 O ATOM 401 OE2 GLU A 33 35.045 -30.866 5.955 1.00 4.37 O ATOM 0 H GLU A 33 33.709 -34.407 2.324 1.00 2.79 H new ATOM 0 HA GLU A 33 36.328 -35.143 2.855 1.00 2.95 H new ATOM 0 HB2 GLU A 33 36.504 -33.055 3.943 1.00 3.57 H new ATOM 0 HB3 GLU A 33 35.243 -32.818 2.749 1.00 3.57 H new ATOM 0 HG2 GLU A 33 33.530 -33.219 4.545 1.00 3.89 H new ATOM 0 HG3 GLU A 33 34.829 -33.327 5.716 1.00 3.89 H new ATOM 540 N GLN A 43 44.329 -37.538 14.135 1.00 3.28 N ATOM 541 CA GLN A 43 45.066 -36.685 13.209 1.00 3.01 C ATOM 542 C GLN A 43 44.331 -36.573 11.874 1.00 2.82 C ATOM 543 O GLN A 43 44.233 -35.488 11.302 1.00 2.61 O ATOM 544 CB GLN A 43 46.485 -37.221 12.997 1.00 3.07 C ATOM 545 CG GLN A 43 47.574 -36.302 13.533 1.00 3.47 C ATOM 546 CD GLN A 43 47.494 -36.107 15.036 1.00 3.77 C ATOM 547 OE1 GLN A 43 47.376 -34.982 15.522 1.00 4.06 O ATOM 548 NE2 GLN A 43 47.559 -37.204 15.782 1.00 4.24 N ATOM 0 HA GLN A 43 45.135 -35.689 13.645 1.00 3.01 H new ATOM 0 HB2 GLN A 43 46.572 -38.194 13.481 1.00 3.07 H new ATOM 0 HB3 GLN A 43 46.648 -37.380 11.931 1.00 3.07 H new ATOM 0 HG2 GLN A 43 48.550 -36.715 13.276 1.00 3.47 H new ATOM 0 HG3 GLN A 43 47.499 -35.332 13.041 1.00 3.47 H new ATOM 0 HE21 GLN A 43 47.657 -38.117 15.338 1.00 4.24 H new ATOM 0 HE22 GLN A 43 47.511 -37.133 16.798 1.00 4.24 H new ATOM 557 N ASN A 44 43.805 -37.697 11.388 1.00 2.97 N ATOM 558 CA ASN A 44 43.066 -37.713 10.126 1.00 2.93 C ATOM 559 C ASN A 44 41.867 -36.774 10.198 1.00 2.82 C ATOM 560 O ASN A 44 41.627 -35.990 9.279 1.00 2.66 O ATOM 561 CB ASN A 44 42.600 -39.136 9.792 1.00 3.26 C ATOM 562 CG ASN A 44 41.604 -39.172 8.646 1.00 3.37 C ATOM 563 OD1 ASN A 44 41.663 -38.354 7.730 1.00 3.42 O ATOM 564 ND2 ASN A 44 40.681 -40.125 8.693 1.00 3.83 N ATOM 0 H ASN A 44 43.876 -38.605 11.847 1.00 2.97 H new ATOM 0 HA ASN A 44 43.734 -37.370 9.336 1.00 2.93 H new ATOM 0 HB2 ASN A 44 43.466 -39.747 9.535 1.00 3.26 H new ATOM 0 HB3 ASN A 44 42.146 -39.583 10.677 1.00 3.26 H new ATOM 0 HD21 ASN A 44 39.985 -40.198 7.951 1.00 3.83 H new ATOM 0 HD22 ASN A 44 40.667 -40.784 9.471 1.00 3.83 H new ATOM 571 N LEU A 45 41.119 -36.861 11.299 1.00 3.00 N ATOM 572 CA LEU A 45 39.945 -36.021 11.499 1.00 3.01 C ATOM 573 C LEU A 45 40.344 -34.548 11.523 1.00 2.73 C ATOM 574 O LEU A 45 39.773 -33.726 10.804 1.00 2.57 O ATOM 575 CB LEU A 45 39.230 -36.407 12.799 1.00 3.36 C ATOM 576 CG LEU A 45 38.663 -37.833 12.829 1.00 3.84 C ATOM 577 CD1 LEU A 45 38.453 -38.299 14.261 1.00 4.27 C ATOM 578 CD2 LEU A 45 37.360 -37.908 12.049 1.00 4.23 C ATOM 0 H LEU A 45 41.309 -37.507 12.065 1.00 3.00 H new ATOM 0 HA LEU A 45 39.258 -36.178 10.668 1.00 3.01 H new ATOM 0 HB2 LEU A 45 39.928 -36.292 13.628 1.00 3.36 H new ATOM 0 HB3 LEU A 45 38.414 -35.704 12.970 1.00 3.36 H new ATOM 0 HG LEU A 45 39.387 -38.496 12.355 1.00 3.84 H new ATOM 0 HD11 LEU A 45 38.051 -39.312 14.259 1.00 4.27 H new ATOM 0 HD12 LEU A 45 39.406 -38.288 14.791 1.00 4.27 H new ATOM 0 HD13 LEU A 45 37.752 -37.631 14.762 1.00 4.27 H new ATOM 0 HD21 LEU A 45 36.974 -38.927 12.082 1.00 4.23 H new ATOM 0 HD22 LEU A 45 36.631 -37.229 12.492 1.00 4.23 H new ATOM 0 HD23 LEU A 45 37.539 -37.622 11.013 1.00 4.23 H new ATOM 590 N ARG A 46 41.346 -34.223 12.339 1.00 2.73 N ATOM 591 CA ARG A 46 41.832 -32.851 12.435 1.00 2.59 C ATOM 592 C ARG A 46 42.238 -32.344 11.059 1.00 2.28 C ATOM 593 O ARG A 46 42.055 -31.169 10.741 1.00 2.17 O ATOM 594 CB ARG A 46 43.021 -32.763 13.396 1.00 2.76 C ATOM 595 CG ARG A 46 43.115 -31.426 14.121 1.00 2.97 C ATOM 596 CD ARG A 46 41.936 -31.207 15.059 1.00 3.51 C ATOM 597 NE ARG A 46 41.354 -32.466 15.523 1.00 4.06 N ATOM 598 CZ ARG A 46 41.839 -33.180 16.536 1.00 4.80 C ATOM 599 NH1 ARG A 46 42.916 -32.769 17.191 1.00 5.15 N ATOM 600 NH2 ARG A 46 41.245 -34.308 16.890 1.00 5.49 N ATOM 0 H ARG A 46 41.833 -34.888 12.939 1.00 2.73 H new ATOM 0 HA ARG A 46 41.027 -32.227 12.823 1.00 2.59 H new ATOM 0 HB2 ARG A 46 42.943 -33.563 14.133 1.00 2.76 H new ATOM 0 HB3 ARG A 46 43.942 -32.931 12.839 1.00 2.76 H new ATOM 0 HG2 ARG A 46 44.044 -31.385 14.690 1.00 2.97 H new ATOM 0 HG3 ARG A 46 43.153 -30.618 13.390 1.00 2.97 H new ATOM 0 HD2 ARG A 46 42.262 -30.622 15.919 1.00 3.51 H new ATOM 0 HD3 ARG A 46 41.171 -30.623 14.547 1.00 3.51 H new ATOM 0 HE ARG A 46 40.527 -32.818 15.041 1.00 4.06 H new ATOM 0 HH11 ARG A 46 43.378 -31.901 16.919 1.00 5.15 H new ATOM 0 HH12 ARG A 46 43.283 -33.321 17.967 1.00 5.15 H new ATOM 0 HH21 ARG A 46 40.418 -34.628 16.387 1.00 5.49 H new ATOM 0 HH22 ARG A 46 41.615 -34.857 17.666 1.00 5.49 H new ATOM 614 N LYS A 47 42.782 -33.244 10.242 1.00 2.24 N ATOM 615 CA LYS A 47 43.205 -32.896 8.892 1.00 2.12 C ATOM 616 C LYS A 47 42.005 -32.412 8.083 1.00 2.02 C ATOM 617 O LYS A 47 42.070 -31.380 7.415 1.00 1.89 O ATOM 618 CB LYS A 47 43.881 -34.099 8.219 1.00 2.32 C ATOM 619 CG LYS A 47 43.387 -34.397 6.811 1.00 2.70 C ATOM 620 CD LYS A 47 44.113 -35.593 6.211 1.00 3.12 C ATOM 621 CE LYS A 47 43.243 -36.340 5.215 1.00 3.66 C ATOM 622 NZ LYS A 47 41.915 -36.692 5.787 1.00 4.30 N ATOM 0 H LYS A 47 42.939 -34.220 10.494 1.00 2.24 H new ATOM 0 HA LYS A 47 43.935 -32.088 8.940 1.00 2.12 H new ATOM 0 HB2 LYS A 47 44.956 -33.922 8.183 1.00 2.32 H new ATOM 0 HB3 LYS A 47 43.724 -34.981 8.839 1.00 2.32 H new ATOM 0 HG2 LYS A 47 42.315 -34.594 6.834 1.00 2.70 H new ATOM 0 HG3 LYS A 47 43.538 -33.523 6.178 1.00 2.70 H new ATOM 0 HD2 LYS A 47 45.023 -35.255 5.716 1.00 3.12 H new ATOM 0 HD3 LYS A 47 44.417 -36.271 7.008 1.00 3.12 H new ATOM 0 HE2 LYS A 47 43.103 -35.727 4.325 1.00 3.66 H new ATOM 0 HE3 LYS A 47 43.754 -37.249 4.898 1.00 3.66 H new ATOM 0 HZ1 LYS A 47 41.471 -37.431 5.205 1.00 4.30 H new ATOM 0 HZ2 LYS A 47 42.037 -37.043 6.758 1.00 4.30 H new ATOM 0 HZ3 LYS A 47 41.307 -35.848 5.798 1.00 4.30 H new ATOM 636 N LYS A 48 40.897 -33.149 8.171 1.00 2.17 N ATOM 637 CA LYS A 48 39.676 -32.769 7.465 1.00 2.20 C ATOM 638 C LYS A 48 39.264 -31.369 7.897 1.00 2.02 C ATOM 639 O LYS A 48 39.044 -30.485 7.068 1.00 1.90 O ATOM 640 CB LYS A 48 38.533 -33.755 7.752 1.00 2.54 C ATOM 641 CG LYS A 48 38.988 -35.187 7.998 1.00 3.02 C ATOM 642 CD LYS A 48 37.811 -36.130 8.228 1.00 3.19 C ATOM 643 CE LYS A 48 36.805 -35.558 9.220 1.00 3.73 C ATOM 644 NZ LYS A 48 35.911 -36.611 9.782 1.00 4.17 N ATOM 0 H LYS A 48 40.821 -34.005 8.720 1.00 2.17 H new ATOM 0 HA LYS A 48 39.877 -32.789 6.394 1.00 2.20 H new ATOM 0 HB2 LYS A 48 37.979 -33.407 8.624 1.00 2.54 H new ATOM 0 HB3 LYS A 48 37.841 -33.746 6.910 1.00 2.54 H new ATOM 0 HG2 LYS A 48 39.569 -35.534 7.144 1.00 3.02 H new ATOM 0 HG3 LYS A 48 39.648 -35.214 8.865 1.00 3.02 H new ATOM 0 HD2 LYS A 48 37.313 -36.326 7.279 1.00 3.19 H new ATOM 0 HD3 LYS A 48 38.180 -37.087 8.597 1.00 3.19 H new ATOM 0 HE2 LYS A 48 37.338 -35.064 10.032 1.00 3.73 H new ATOM 0 HE3 LYS A 48 36.202 -34.797 8.726 1.00 3.73 H new ATOM 0 HZ1 LYS A 48 35.705 -36.396 10.778 1.00 4.17 H new ATOM 0 HZ2 LYS A 48 35.023 -36.637 9.242 1.00 4.17 H new ATOM 0 HZ3 LYS A 48 36.382 -37.536 9.718 1.00 4.17 H new ATOM 658 N HIS A 49 39.181 -31.175 9.211 1.00 2.10 N ATOM 659 CA HIS A 49 38.814 -29.883 9.775 1.00 2.10 C ATOM 660 C HIS A 49 39.699 -28.783 9.199 1.00 1.82 C ATOM 661 O HIS A 49 39.210 -27.747 8.763 1.00 1.72 O ATOM 662 CB HIS A 49 38.930 -29.915 11.304 1.00 2.37 C ATOM 663 CG HIS A 49 37.609 -29.818 12.002 1.00 2.66 C ATOM 664 ND1 HIS A 49 36.794 -28.748 12.190 1.00 2.97 N flip ATOM 665 CD2 HIS A 49 36.975 -30.885 12.593 1.00 3.22 C flip ATOM 666 CE1 HIS A 49 35.663 -29.155 12.893 1.00 3.47 C flip ATOM 667 NE2 HIS A 49 35.821 -30.445 13.110 1.00 3.60 N flip ATOM 0 H HIS A 49 39.364 -31.900 9.905 1.00 2.10 H new ATOM 0 HA HIS A 49 37.778 -29.670 9.510 1.00 2.10 H new ATOM 0 HB2 HIS A 49 39.424 -30.839 11.604 1.00 2.37 H new ATOM 0 HB3 HIS A 49 39.566 -29.092 11.630 1.00 2.37 H new ATOM 0 HD2 HIS A 49 37.343 -31.900 12.633 1.00 3.22 H new ATOM 0 HE1 HIS A 49 34.829 -28.540 13.197 1.00 3.47 H new ATOM 0 HE2 HIS A 49 35.151 -31.032 13.607 1.00 3.60 H new ATOM 675 N LYS A 50 41.009 -29.022 9.196 1.00 1.76 N ATOM 676 CA LYS A 50 41.965 -28.055 8.665 1.00 1.67 C ATOM 677 C LYS A 50 41.513 -27.550 7.299 1.00 1.49 C ATOM 678 O LYS A 50 41.514 -26.345 7.038 1.00 1.46 O ATOM 679 CB LYS A 50 43.361 -28.681 8.566 1.00 1.79 C ATOM 680 CG LYS A 50 44.405 -28.002 9.443 1.00 2.13 C ATOM 681 CD LYS A 50 44.325 -28.473 10.891 1.00 2.64 C ATOM 682 CE LYS A 50 43.296 -27.684 11.689 1.00 3.07 C ATOM 683 NZ LYS A 50 42.015 -28.427 11.837 1.00 3.17 N ATOM 0 H LYS A 50 41.432 -29.878 9.556 1.00 1.76 H new ATOM 0 HA LYS A 50 42.012 -27.207 9.349 1.00 1.67 H new ATOM 0 HB2 LYS A 50 43.297 -29.733 8.843 1.00 1.79 H new ATOM 0 HB3 LYS A 50 43.693 -28.644 7.528 1.00 1.79 H new ATOM 0 HG2 LYS A 50 45.400 -28.208 9.049 1.00 2.13 H new ATOM 0 HG3 LYS A 50 44.264 -26.922 9.404 1.00 2.13 H new ATOM 0 HD2 LYS A 50 44.068 -29.532 10.915 1.00 2.64 H new ATOM 0 HD3 LYS A 50 45.304 -28.372 11.360 1.00 2.64 H new ATOM 0 HE2 LYS A 50 43.699 -27.457 12.676 1.00 3.07 H new ATOM 0 HE3 LYS A 50 43.107 -26.731 11.195 1.00 3.07 H new ATOM 0 HZ1 LYS A 50 41.246 -27.884 11.396 1.00 3.17 H new ATOM 0 HZ2 LYS A 50 42.095 -29.353 11.371 1.00 3.17 H new ATOM 0 HZ3 LYS A 50 41.808 -28.564 12.847 1.00 3.17 H new ATOM 697 N ARG A 51 41.111 -28.476 6.432 1.00 1.50 N ATOM 698 CA ARG A 51 40.641 -28.115 5.100 1.00 1.50 C ATOM 699 C ARG A 51 39.375 -27.272 5.205 1.00 1.38 C ATOM 700 O ARG A 51 39.197 -26.298 4.472 1.00 1.27 O ATOM 701 CB ARG A 51 40.374 -29.370 4.264 1.00 1.77 C ATOM 702 CG ARG A 51 40.390 -29.119 2.763 1.00 2.17 C ATOM 703 CD ARG A 51 39.042 -29.422 2.127 1.00 2.52 C ATOM 704 NE ARG A 51 37.962 -28.634 2.721 1.00 2.87 N ATOM 705 CZ ARG A 51 36.736 -29.104 2.943 1.00 3.47 C ATOM 706 NH1 ARG A 51 36.429 -30.352 2.618 1.00 4.13 N ATOM 707 NH2 ARG A 51 35.812 -28.322 3.485 1.00 3.79 N ATOM 0 H ARG A 51 41.102 -29.477 6.628 1.00 1.50 H new ATOM 0 HA ARG A 51 41.416 -27.531 4.604 1.00 1.50 H new ATOM 0 HB2 ARG A 51 41.124 -30.123 4.506 1.00 1.77 H new ATOM 0 HB3 ARG A 51 39.405 -29.783 4.544 1.00 1.77 H new ATOM 0 HG2 ARG A 51 40.658 -28.080 2.571 1.00 2.17 H new ATOM 0 HG3 ARG A 51 41.158 -29.737 2.299 1.00 2.17 H new ATOM 0 HD2 ARG A 51 39.093 -29.218 1.057 1.00 2.52 H new ATOM 0 HD3 ARG A 51 38.819 -30.483 2.239 1.00 2.52 H new ATOM 0 HE ARG A 51 38.160 -27.668 2.980 1.00 2.87 H new ATOM 0 HH11 ARG A 51 37.133 -30.957 2.196 1.00 4.13 H new ATOM 0 HH12 ARG A 51 35.488 -30.707 2.790 1.00 4.13 H new ATOM 0 HH21 ARG A 51 36.040 -27.359 3.732 1.00 3.79 H new ATOM 0 HH22 ARG A 51 34.873 -28.684 3.654 1.00 3.79 H new ATOM 721 N LEU A 52 38.504 -27.651 6.135 1.00 1.51 N ATOM 722 CA LEU A 52 37.259 -26.927 6.355 1.00 1.55 C ATOM 723 C LEU A 52 37.555 -25.479 6.726 1.00 1.33 C ATOM 724 O LEU A 52 36.992 -24.557 6.146 1.00 1.22 O ATOM 725 CB LEU A 52 36.435 -27.602 7.455 1.00 1.88 C ATOM 726 CG LEU A 52 35.044 -27.000 7.690 1.00 2.21 C ATOM 727 CD1 LEU A 52 33.996 -27.728 6.858 1.00 2.58 C ATOM 728 CD2 LEU A 52 34.681 -27.042 9.170 1.00 2.90 C ATOM 0 H LEU A 52 38.638 -28.455 6.748 1.00 1.51 H new ATOM 0 HA LEU A 52 36.678 -26.941 5.433 1.00 1.55 H new ATOM 0 HB2 LEU A 52 36.320 -28.657 7.205 1.00 1.88 H new ATOM 0 HB3 LEU A 52 36.996 -27.555 8.388 1.00 1.88 H new ATOM 0 HG LEU A 52 35.066 -25.957 7.375 1.00 2.21 H new ATOM 0 HD11 LEU A 52 33.016 -27.286 7.039 1.00 2.58 H new ATOM 0 HD12 LEU A 52 34.245 -27.639 5.801 1.00 2.58 H new ATOM 0 HD13 LEU A 52 33.976 -28.781 7.138 1.00 2.58 H new ATOM 0 HD21 LEU A 52 33.691 -26.610 9.314 1.00 2.90 H new ATOM 0 HD22 LEU A 52 34.680 -28.076 9.515 1.00 2.90 H new ATOM 0 HD23 LEU A 52 35.413 -26.470 9.740 1.00 2.90 H new ATOM 740 N GLU A 53 38.457 -25.288 7.687 1.00 1.38 N ATOM 741 CA GLU A 53 38.840 -23.949 8.125 1.00 1.39 C ATOM 742 C GLU A 53 39.201 -23.083 6.923 1.00 1.16 C ATOM 743 O GLU A 53 38.682 -21.976 6.765 1.00 1.13 O ATOM 744 CB GLU A 53 40.020 -24.017 9.099 1.00 1.66 C ATOM 745 CG GLU A 53 39.607 -24.270 10.541 1.00 2.20 C ATOM 746 CD GLU A 53 39.835 -23.065 11.433 1.00 2.62 C ATOM 747 OE1 GLU A 53 40.976 -22.883 11.909 1.00 3.08 O ATOM 748 OE2 GLU A 53 38.872 -22.299 11.651 1.00 3.17 O ATOM 0 H GLU A 53 38.936 -26.044 8.177 1.00 1.38 H new ATOM 0 HA GLU A 53 37.991 -23.500 8.641 1.00 1.39 H new ATOM 0 HB2 GLU A 53 40.698 -24.809 8.780 1.00 1.66 H new ATOM 0 HB3 GLU A 53 40.576 -23.081 9.048 1.00 1.66 H new ATOM 0 HG2 GLU A 53 38.553 -24.545 10.570 1.00 2.20 H new ATOM 0 HG3 GLU A 53 40.168 -25.118 10.932 1.00 2.20 H new ATOM 755 N ALA A 54 40.079 -23.601 6.063 1.00 1.13 N ATOM 756 CA ALA A 54 40.486 -22.875 4.866 1.00 1.16 C ATOM 757 C ALA A 54 39.258 -22.454 4.070 1.00 0.99 C ATOM 758 O ALA A 54 39.094 -21.279 3.736 1.00 1.03 O ATOM 759 CB ALA A 54 41.416 -23.727 4.012 1.00 1.35 C ATOM 0 H ALA A 54 40.518 -24.515 6.174 1.00 1.13 H new ATOM 0 HA ALA A 54 41.031 -21.980 5.167 1.00 1.16 H new ATOM 0 HB1 ALA A 54 41.709 -23.168 3.123 1.00 1.35 H new ATOM 0 HB2 ALA A 54 42.305 -23.984 4.588 1.00 1.35 H new ATOM 0 HB3 ALA A 54 40.901 -24.640 3.713 1.00 1.35 H new ATOM 765 N GLU A 55 38.383 -23.415 3.793 1.00 0.99 N ATOM 766 CA GLU A 55 37.155 -23.133 3.064 1.00 1.06 C ATOM 767 C GLU A 55 36.404 -21.998 3.752 1.00 0.88 C ATOM 768 O GLU A 55 36.028 -21.016 3.118 1.00 0.90 O ATOM 769 CB GLU A 55 36.273 -24.385 2.989 1.00 1.35 C ATOM 770 CG GLU A 55 35.837 -24.743 1.575 1.00 1.84 C ATOM 771 CD GLU A 55 34.383 -25.169 1.500 1.00 1.93 C ATOM 772 OE1 GLU A 55 34.071 -26.299 1.937 1.00 2.60 O ATOM 773 OE2 GLU A 55 33.555 -24.376 1.003 1.00 2.20 O ATOM 0 H GLU A 55 38.502 -24.392 4.062 1.00 0.99 H new ATOM 0 HA GLU A 55 37.407 -22.833 2.047 1.00 1.06 H new ATOM 0 HB2 GLU A 55 36.817 -25.228 3.416 1.00 1.35 H new ATOM 0 HB3 GLU A 55 35.387 -24.232 3.605 1.00 1.35 H new ATOM 0 HG2 GLU A 55 35.994 -23.884 0.923 1.00 1.84 H new ATOM 0 HG3 GLU A 55 36.467 -25.549 1.198 1.00 1.84 H new ATOM 780 N LEU A 56 36.208 -22.148 5.061 1.00 0.90 N ATOM 781 CA LEU A 56 35.523 -21.147 5.876 1.00 0.98 C ATOM 782 C LEU A 56 35.922 -19.733 5.468 1.00 0.91 C ATOM 783 O LEU A 56 35.070 -18.859 5.320 1.00 0.99 O ATOM 784 CB LEU A 56 35.841 -21.372 7.357 1.00 1.26 C ATOM 785 CG LEU A 56 34.634 -21.320 8.300 1.00 2.02 C ATOM 786 CD1 LEU A 56 34.917 -22.109 9.571 1.00 2.67 C ATOM 787 CD2 LEU A 56 34.274 -19.878 8.631 1.00 2.55 C ATOM 0 H LEU A 56 36.519 -22.966 5.585 1.00 0.90 H new ATOM 0 HA LEU A 56 34.451 -21.256 5.714 1.00 0.98 H new ATOM 0 HB2 LEU A 56 36.324 -22.343 7.465 1.00 1.26 H new ATOM 0 HB3 LEU A 56 36.563 -20.620 7.675 1.00 1.26 H new ATOM 0 HG LEU A 56 33.782 -21.776 7.795 1.00 2.02 H new ATOM 0 HD11 LEU A 56 34.050 -22.062 10.229 1.00 2.67 H new ATOM 0 HD12 LEU A 56 35.122 -23.149 9.316 1.00 2.67 H new ATOM 0 HD13 LEU A 56 35.782 -21.682 10.079 1.00 2.67 H new ATOM 0 HD21 LEU A 56 33.415 -19.862 9.302 1.00 2.55 H new ATOM 0 HD22 LEU A 56 35.122 -19.393 9.116 1.00 2.55 H new ATOM 0 HD23 LEU A 56 34.028 -19.345 7.713 1.00 2.55 H new ATOM 799 N ALA A 57 37.222 -19.514 5.285 1.00 0.92 N ATOM 800 CA ALA A 57 37.727 -18.203 4.892 1.00 1.14 C ATOM 801 C ALA A 57 37.265 -17.837 3.483 1.00 1.08 C ATOM 802 O ALA A 57 36.888 -16.697 3.218 1.00 1.22 O ATOM 803 CB ALA A 57 39.246 -18.176 4.979 1.00 1.37 C ATOM 0 H ALA A 57 37.943 -20.226 5.402 1.00 0.92 H new ATOM 0 HA ALA A 57 37.323 -17.461 5.581 1.00 1.14 H new ATOM 0 HB1 ALA A 57 39.610 -17.192 4.683 1.00 1.37 H new ATOM 0 HB2 ALA A 57 39.556 -18.385 6.003 1.00 1.37 H new ATOM 0 HB3 ALA A 57 39.662 -18.932 4.313 1.00 1.37 H new ATOM 809 N ALA A 58 37.307 -18.816 2.585 1.00 1.03 N ATOM 810 CA ALA A 58 36.902 -18.615 1.194 1.00 1.19 C ATOM 811 C ALA A 58 35.481 -18.062 1.081 1.00 1.03 C ATOM 812 O ALA A 58 35.116 -17.489 0.055 1.00 1.17 O ATOM 813 CB ALA A 58 37.020 -19.920 0.420 1.00 1.43 C ATOM 0 H ALA A 58 37.619 -19.764 2.796 1.00 1.03 H new ATOM 0 HA ALA A 58 37.575 -17.874 0.763 1.00 1.19 H new ATOM 0 HB1 ALA A 58 36.716 -19.758 -0.614 1.00 1.43 H new ATOM 0 HB2 ALA A 58 38.054 -20.265 0.445 1.00 1.43 H new ATOM 0 HB3 ALA A 58 36.375 -20.672 0.874 1.00 1.43 H new ATOM 819 N HIS A 59 34.682 -18.238 2.130 1.00 0.87 N ATOM 820 CA HIS A 59 33.305 -17.754 2.129 1.00 0.90 C ATOM 821 C HIS A 59 33.246 -16.241 2.010 1.00 0.80 C ATOM 822 O HIS A 59 32.288 -15.696 1.470 1.00 0.89 O ATOM 823 CB HIS A 59 32.583 -18.166 3.406 1.00 1.13 C ATOM 824 CG HIS A 59 32.454 -19.639 3.574 1.00 1.46 C ATOM 825 ND1 HIS A 59 33.522 -20.498 3.627 1.00 2.16 N ATOM 826 CD2 HIS A 59 31.348 -20.404 3.722 1.00 1.68 C ATOM 827 CE1 HIS A 59 33.047 -21.736 3.804 1.00 2.61 C ATOM 828 NE2 HIS A 59 31.732 -21.731 3.879 1.00 2.36 N ATOM 0 H HIS A 59 34.963 -18.711 2.989 1.00 0.87 H new ATOM 0 HA HIS A 59 32.815 -18.202 1.264 1.00 0.90 H new ATOM 0 HB2 HIS A 59 33.118 -17.757 4.263 1.00 1.13 H new ATOM 0 HB3 HIS A 59 31.588 -17.721 3.410 1.00 1.13 H new ATOM 0 HD1 HIS A 59 34.505 -20.239 3.546 1.00 2.16 H new ATOM 0 HD2 HIS A 59 30.330 -20.042 3.719 1.00 1.68 H new ATOM 0 HE1 HIS A 59 33.660 -22.622 3.876 1.00 2.61 H new ATOM 836 N GLU A 60 34.253 -15.559 2.541 1.00 0.87 N ATOM 837 CA GLU A 60 34.263 -14.108 2.496 1.00 1.09 C ATOM 838 C GLU A 60 34.355 -13.608 1.056 1.00 1.11 C ATOM 839 O GLU A 60 33.444 -12.942 0.582 1.00 1.12 O ATOM 840 CB GLU A 60 35.396 -13.555 3.364 1.00 1.39 C ATOM 841 CG GLU A 60 34.998 -13.378 4.821 1.00 1.92 C ATOM 842 CD GLU A 60 34.458 -14.660 5.431 1.00 2.39 C ATOM 843 OE1 GLU A 60 35.227 -15.641 5.529 1.00 2.70 O ATOM 844 OE2 GLU A 60 33.266 -14.687 5.802 1.00 3.01 O ATOM 0 H GLU A 60 35.060 -15.981 3.000 1.00 0.87 H new ATOM 0 HA GLU A 60 33.322 -13.740 2.905 1.00 1.09 H new ATOM 0 HB2 GLU A 60 36.252 -14.228 3.306 1.00 1.39 H new ATOM 0 HB3 GLU A 60 35.718 -12.594 2.962 1.00 1.39 H new ATOM 0 HG2 GLU A 60 35.863 -13.042 5.393 1.00 1.92 H new ATOM 0 HG3 GLU A 60 34.242 -12.596 4.897 1.00 1.92 H new ATOM 851 N PRO A 61 35.440 -13.910 0.323 1.00 1.23 N ATOM 852 CA PRO A 61 35.573 -13.462 -1.064 1.00 1.42 C ATOM 853 C PRO A 61 34.404 -13.914 -1.939 1.00 1.32 C ATOM 854 O PRO A 61 33.925 -13.164 -2.788 1.00 1.44 O ATOM 855 CB PRO A 61 36.868 -14.128 -1.543 1.00 1.60 C ATOM 856 CG PRO A 61 37.631 -14.445 -0.305 1.00 1.59 C ATOM 857 CD PRO A 61 36.613 -14.684 0.775 1.00 1.29 C ATOM 0 HA PRO A 61 35.584 -12.374 -1.130 1.00 1.42 H new ATOM 0 HB2 PRO A 61 36.657 -15.031 -2.116 1.00 1.60 H new ATOM 0 HB3 PRO A 61 37.435 -13.462 -2.194 1.00 1.60 H new ATOM 0 HG2 PRO A 61 38.257 -15.326 -0.450 1.00 1.59 H new ATOM 0 HG3 PRO A 61 38.295 -13.623 -0.037 1.00 1.59 H new ATOM 0 HD2 PRO A 61 36.379 -15.744 0.878 1.00 1.29 H new ATOM 0 HD3 PRO A 61 36.970 -14.341 1.746 1.00 1.29 H new ATOM 865 N ALA A 62 33.970 -15.155 -1.739 1.00 1.18 N ATOM 866 CA ALA A 62 32.880 -15.734 -2.526 1.00 1.22 C ATOM 867 C ALA A 62 31.521 -15.101 -2.228 1.00 1.00 C ATOM 868 O ALA A 62 30.807 -14.693 -3.145 1.00 1.06 O ATOM 869 CB ALA A 62 32.816 -17.238 -2.296 1.00 1.31 C ATOM 0 H ALA A 62 34.357 -15.784 -1.035 1.00 1.18 H new ATOM 0 HA ALA A 62 33.101 -15.523 -3.572 1.00 1.22 H new ATOM 0 HB1 ALA A 62 32.003 -17.662 -2.885 1.00 1.31 H new ATOM 0 HB2 ALA A 62 33.759 -17.693 -2.599 1.00 1.31 H new ATOM 0 HB3 ALA A 62 32.641 -17.437 -1.239 1.00 1.31 H new ATOM 875 N ILE A 63 31.147 -15.055 -0.956 1.00 0.82 N ATOM 876 CA ILE A 63 29.850 -14.507 -0.565 1.00 0.73 C ATOM 877 C ILE A 63 29.836 -12.976 -0.604 1.00 0.73 C ATOM 878 O ILE A 63 28.852 -12.374 -1.037 1.00 0.73 O ATOM 879 CB ILE A 63 29.427 -15.023 0.831 1.00 0.79 C ATOM 880 CG1 ILE A 63 29.138 -16.529 0.754 1.00 1.08 C ATOM 881 CG2 ILE A 63 28.205 -14.273 1.349 1.00 0.96 C ATOM 882 CD1 ILE A 63 29.040 -17.209 2.104 1.00 0.67 C ATOM 0 H ILE A 63 31.718 -15.388 -0.179 1.00 0.82 H new ATOM 0 HA ILE A 63 29.123 -14.857 -1.297 1.00 0.73 H new ATOM 0 HB ILE A 63 30.244 -14.846 1.530 1.00 0.79 H new ATOM 0 HG12 ILE A 63 28.204 -16.682 0.213 1.00 1.08 H new ATOM 0 HG13 ILE A 63 29.925 -17.010 0.173 1.00 1.08 H new ATOM 0 HG21 ILE A 63 27.932 -14.658 2.332 1.00 0.96 H new ATOM 0 HG22 ILE A 63 28.436 -13.211 1.427 1.00 0.96 H new ATOM 0 HG23 ILE A 63 27.372 -14.414 0.660 1.00 0.96 H new ATOM 0 HD11 ILE A 63 28.834 -18.270 1.963 1.00 0.67 H new ATOM 0 HD12 ILE A 63 29.981 -17.090 2.640 1.00 0.67 H new ATOM 0 HD13 ILE A 63 28.234 -16.757 2.681 1.00 0.67 H new ATOM 894 N GLN A 64 30.928 -12.346 -0.173 1.00 0.83 N ATOM 895 CA GLN A 64 31.014 -10.885 -0.186 1.00 0.95 C ATOM 896 C GLN A 64 30.761 -10.351 -1.592 1.00 0.95 C ATOM 897 O GLN A 64 29.985 -9.417 -1.775 1.00 0.92 O ATOM 898 CB GLN A 64 32.376 -10.402 0.331 1.00 1.17 C ATOM 899 CG GLN A 64 32.375 -8.957 0.817 1.00 1.62 C ATOM 900 CD GLN A 64 31.920 -7.974 -0.244 1.00 2.58 C ATOM 901 OE1 GLN A 64 31.013 -7.172 -0.018 1.00 3.24 O ATOM 902 NE2 GLN A 64 32.551 -8.027 -1.412 1.00 3.27 N ATOM 0 H GLN A 64 31.758 -12.818 0.186 1.00 0.83 H new ATOM 0 HA GLN A 64 30.245 -10.498 0.483 1.00 0.95 H new ATOM 0 HB2 GLN A 64 32.694 -11.050 1.148 1.00 1.17 H new ATOM 0 HB3 GLN A 64 33.114 -10.507 -0.465 1.00 1.17 H new ATOM 0 HG2 GLN A 64 31.723 -8.873 1.686 1.00 1.62 H new ATOM 0 HG3 GLN A 64 33.379 -8.689 1.145 1.00 1.62 H new ATOM 0 HE21 GLN A 64 33.297 -8.707 -1.558 1.00 3.27 H new ATOM 0 HE22 GLN A 64 32.289 -7.388 -2.163 1.00 3.27 H new ATOM 911 N GLY A 65 31.411 -10.956 -2.589 1.00 1.05 N ATOM 912 CA GLY A 65 31.214 -10.525 -3.962 1.00 1.14 C ATOM 913 C GLY A 65 29.743 -10.358 -4.278 1.00 0.94 C ATOM 914 O GLY A 65 29.320 -9.317 -4.780 1.00 0.94 O ATOM 0 H GLY A 65 32.064 -11.730 -2.469 1.00 1.05 H new ATOM 0 HA2 GLY A 65 31.734 -9.581 -4.128 1.00 1.14 H new ATOM 0 HA3 GLY A 65 31.654 -11.255 -4.642 1.00 1.14 H new ATOM 918 N VAL A 66 28.957 -11.381 -3.952 1.00 0.83 N ATOM 919 CA VAL A 66 27.517 -11.343 -4.174 1.00 0.72 C ATOM 920 C VAL A 66 26.918 -10.124 -3.481 1.00 0.59 C ATOM 921 O VAL A 66 26.216 -9.322 -4.098 1.00 0.56 O ATOM 922 CB VAL A 66 26.840 -12.630 -3.653 1.00 0.77 C ATOM 923 CG1 VAL A 66 25.370 -12.673 -4.045 1.00 1.22 C ATOM 924 CG2 VAL A 66 27.576 -13.853 -4.180 1.00 1.46 C ATOM 0 H VAL A 66 29.295 -12.247 -3.533 1.00 0.83 H new ATOM 0 HA VAL A 66 27.339 -11.275 -5.247 1.00 0.72 H new ATOM 0 HB VAL A 66 26.891 -12.631 -2.564 1.00 0.77 H new ATOM 0 HG11 VAL A 66 24.919 -13.590 -3.665 1.00 1.22 H new ATOM 0 HG12 VAL A 66 24.855 -11.812 -3.620 1.00 1.22 H new ATOM 0 HG13 VAL A 66 25.282 -12.648 -5.131 1.00 1.22 H new ATOM 0 HG21 VAL A 66 27.093 -14.757 -3.808 1.00 1.46 H new ATOM 0 HG22 VAL A 66 27.552 -13.851 -5.270 1.00 1.46 H new ATOM 0 HG23 VAL A 66 28.611 -13.829 -3.840 1.00 1.46 H new ATOM 934 N LEU A 67 27.220 -9.977 -2.196 1.00 0.58 N ATOM 935 CA LEU A 67 26.730 -8.843 -1.419 1.00 0.62 C ATOM 936 C LEU A 67 27.048 -7.532 -2.136 1.00 0.69 C ATOM 937 O LEU A 67 26.164 -6.706 -2.360 1.00 0.71 O ATOM 938 CB LEU A 67 27.353 -8.845 -0.020 1.00 0.74 C ATOM 939 CG LEU A 67 26.768 -7.818 0.956 1.00 1.29 C ATOM 940 CD1 LEU A 67 25.305 -8.126 1.250 1.00 1.90 C ATOM 941 CD2 LEU A 67 27.579 -7.787 2.244 1.00 2.13 C ATOM 0 H LEU A 67 27.802 -10.629 -1.670 1.00 0.58 H new ATOM 0 HA LEU A 67 25.648 -8.934 -1.319 1.00 0.62 H new ATOM 0 HB2 LEU A 67 27.236 -9.839 0.411 1.00 0.74 H new ATOM 0 HB3 LEU A 67 28.423 -8.663 -0.116 1.00 0.74 H new ATOM 0 HG LEU A 67 26.821 -6.834 0.491 1.00 1.29 H new ATOM 0 HD11 LEU A 67 24.910 -7.385 1.945 1.00 1.90 H new ATOM 0 HD12 LEU A 67 24.733 -8.095 0.323 1.00 1.90 H new ATOM 0 HD13 LEU A 67 25.224 -9.118 1.693 1.00 1.90 H new ATOM 0 HD21 LEU A 67 27.151 -7.053 2.926 1.00 2.13 H new ATOM 0 HD22 LEU A 67 27.558 -8.772 2.711 1.00 2.13 H new ATOM 0 HD23 LEU A 67 28.610 -7.514 2.018 1.00 2.13 H new ATOM 953 N ASP A 68 28.317 -7.350 -2.496 1.00 0.79 N ATOM 954 CA ASP A 68 28.752 -6.144 -3.195 1.00 0.94 C ATOM 955 C ASP A 68 27.894 -5.906 -4.434 1.00 0.86 C ATOM 956 O ASP A 68 27.393 -4.803 -4.650 1.00 0.91 O ATOM 957 CB ASP A 68 30.231 -6.241 -3.582 1.00 1.12 C ATOM 958 CG ASP A 68 31.049 -5.099 -3.008 1.00 1.55 C ATOM 959 OD1 ASP A 68 30.695 -3.928 -3.265 1.00 2.24 O ATOM 960 OD2 ASP A 68 32.037 -5.372 -2.297 1.00 2.04 O ATOM 0 H ASP A 68 29.062 -8.023 -2.315 1.00 0.79 H new ATOM 0 HA ASP A 68 28.631 -5.298 -2.519 1.00 0.94 H new ATOM 0 HB2 ASP A 68 30.636 -7.189 -3.229 1.00 1.12 H new ATOM 0 HB3 ASP A 68 30.322 -6.241 -4.668 1.00 1.12 H new ATOM 965 N THR A 69 27.719 -6.949 -5.245 1.00 0.80 N ATOM 966 CA THR A 69 26.906 -6.841 -6.452 1.00 0.80 C ATOM 967 C THR A 69 25.497 -6.375 -6.089 1.00 0.67 C ATOM 968 O THR A 69 24.944 -5.469 -6.719 1.00 0.73 O ATOM 969 CB THR A 69 26.846 -8.184 -7.189 1.00 0.86 C ATOM 970 OG1 THR A 69 28.147 -8.686 -7.437 1.00 1.02 O ATOM 971 CG2 THR A 69 26.125 -8.105 -8.520 1.00 0.94 C ATOM 0 H THR A 69 28.127 -7.871 -5.089 1.00 0.80 H new ATOM 0 HA THR A 69 27.365 -6.108 -7.115 1.00 0.80 H new ATOM 0 HB THR A 69 26.289 -8.847 -6.527 1.00 0.86 H new ATOM 0 HG1 THR A 69 28.531 -9.027 -6.602 1.00 1.02 H new ATOM 0 HG21 THR A 69 26.118 -9.089 -8.989 1.00 0.94 H new ATOM 0 HG22 THR A 69 25.099 -7.773 -8.359 1.00 0.94 H new ATOM 0 HG23 THR A 69 26.638 -7.396 -9.170 1.00 0.94 H new ATOM 979 N GLY A 70 24.913 -7.009 -5.074 1.00 0.57 N ATOM 980 CA GLY A 70 23.577 -6.638 -4.642 1.00 0.59 C ATOM 981 C GLY A 70 23.488 -5.171 -4.273 1.00 0.69 C ATOM 982 O GLY A 70 22.502 -4.504 -4.586 1.00 0.79 O ATOM 0 H GLY A 70 25.340 -7.770 -4.546 1.00 0.57 H new ATOM 0 HA2 GLY A 70 22.865 -6.856 -5.438 1.00 0.59 H new ATOM 0 HA3 GLY A 70 23.291 -7.246 -3.784 1.00 0.59 H new ATOM 986 N LYS A 71 24.527 -4.657 -3.620 1.00 0.76 N ATOM 987 CA LYS A 71 24.556 -3.250 -3.238 1.00 0.94 C ATOM 988 C LYS A 71 24.387 -2.379 -4.480 1.00 0.99 C ATOM 989 O LYS A 71 23.674 -1.375 -4.457 1.00 1.12 O ATOM 990 CB LYS A 71 25.869 -2.907 -2.526 1.00 1.05 C ATOM 991 CG LYS A 71 25.846 -3.185 -1.029 1.00 1.35 C ATOM 992 CD LYS A 71 27.048 -4.010 -0.588 1.00 1.91 C ATOM 993 CE LYS A 71 28.339 -3.207 -0.657 1.00 2.53 C ATOM 994 NZ LYS A 71 29.546 -4.074 -0.540 1.00 3.25 N ATOM 0 H LYS A 71 25.353 -5.189 -3.347 1.00 0.76 H new ATOM 0 HA LYS A 71 23.735 -3.057 -2.547 1.00 0.94 H new ATOM 0 HB2 LYS A 71 26.678 -3.479 -2.980 1.00 1.05 H new ATOM 0 HB3 LYS A 71 26.094 -1.853 -2.687 1.00 1.05 H new ATOM 0 HG2 LYS A 71 25.834 -2.241 -0.484 1.00 1.35 H new ATOM 0 HG3 LYS A 71 24.928 -3.714 -0.772 1.00 1.35 H new ATOM 0 HD2 LYS A 71 26.893 -4.362 0.432 1.00 1.91 H new ATOM 0 HD3 LYS A 71 27.135 -4.893 -1.221 1.00 1.91 H new ATOM 0 HE2 LYS A 71 28.376 -2.661 -1.600 1.00 2.53 H new ATOM 0 HE3 LYS A 71 28.347 -2.465 0.142 1.00 2.53 H new ATOM 0 HZ1 LYS A 71 30.245 -3.795 -1.258 1.00 3.25 H new ATOM 0 HZ2 LYS A 71 29.961 -3.966 0.408 1.00 3.25 H new ATOM 0 HZ3 LYS A 71 29.276 -5.067 -0.688 1.00 3.25 H new ATOM 1008 N LYS A 72 25.042 -2.785 -5.568 1.00 0.95 N ATOM 1009 CA LYS A 72 24.962 -2.052 -6.831 1.00 1.08 C ATOM 1010 C LYS A 72 23.509 -1.916 -7.274 1.00 1.06 C ATOM 1011 O LYS A 72 23.077 -0.842 -7.685 1.00 1.26 O ATOM 1012 CB LYS A 72 25.785 -2.753 -7.919 1.00 1.14 C ATOM 1013 CG LYS A 72 26.964 -1.931 -8.420 1.00 1.49 C ATOM 1014 CD LYS A 72 26.505 -0.731 -9.237 1.00 2.07 C ATOM 1015 CE LYS A 72 27.227 0.541 -8.820 1.00 2.89 C ATOM 1016 NZ LYS A 72 26.743 1.729 -9.577 1.00 3.71 N ATOM 0 H LYS A 72 25.633 -3.616 -5.600 1.00 0.95 H new ATOM 0 HA LYS A 72 25.376 -1.056 -6.675 1.00 1.08 H new ATOM 0 HB2 LYS A 72 26.155 -3.701 -7.528 1.00 1.14 H new ATOM 0 HB3 LYS A 72 25.133 -2.987 -8.761 1.00 1.14 H new ATOM 0 HG2 LYS A 72 27.556 -1.589 -7.571 1.00 1.49 H new ATOM 0 HG3 LYS A 72 27.614 -2.560 -9.029 1.00 1.49 H new ATOM 0 HD2 LYS A 72 26.684 -0.921 -10.295 1.00 2.07 H new ATOM 0 HD3 LYS A 72 25.430 -0.597 -9.115 1.00 2.07 H new ATOM 0 HE2 LYS A 72 27.082 0.707 -7.753 1.00 2.89 H new ATOM 0 HE3 LYS A 72 28.298 0.420 -8.981 1.00 2.89 H new ATOM 0 HZ1 LYS A 72 27.260 2.575 -9.263 1.00 3.71 H new ATOM 0 HZ2 LYS A 72 26.904 1.582 -10.594 1.00 3.71 H new ATOM 0 HZ3 LYS A 72 25.726 1.861 -9.403 1.00 3.71 H new ATOM 1030 N LEU A 73 22.759 -3.010 -7.184 1.00 0.89 N ATOM 1031 CA LEU A 73 21.352 -2.999 -7.568 1.00 0.98 C ATOM 1032 C LEU A 73 20.631 -1.849 -6.873 1.00 1.14 C ATOM 1033 O LEU A 73 19.960 -1.040 -7.511 1.00 1.32 O ATOM 1034 CB LEU A 73 20.683 -4.329 -7.209 1.00 0.97 C ATOM 1035 CG LEU A 73 21.506 -5.583 -7.523 1.00 0.92 C ATOM 1036 CD1 LEU A 73 20.659 -6.838 -7.336 1.00 0.96 C ATOM 1037 CD2 LEU A 73 22.074 -5.514 -8.936 1.00 1.52 C ATOM 0 H LEU A 73 23.100 -3.911 -6.850 1.00 0.89 H new ATOM 0 HA LEU A 73 21.290 -2.861 -8.647 1.00 0.98 H new ATOM 0 HB2 LEU A 73 20.451 -4.324 -6.144 1.00 0.97 H new ATOM 0 HB3 LEU A 73 19.734 -4.395 -7.741 1.00 0.97 H new ATOM 0 HG LEU A 73 22.343 -5.631 -6.826 1.00 0.92 H new ATOM 0 HD11 LEU A 73 21.259 -7.719 -7.563 1.00 0.96 H new ATOM 0 HD12 LEU A 73 20.311 -6.892 -6.304 1.00 0.96 H new ATOM 0 HD13 LEU A 73 19.801 -6.801 -8.007 1.00 0.96 H new ATOM 0 HD21 LEU A 73 22.655 -6.414 -9.139 1.00 1.52 H new ATOM 0 HD22 LEU A 73 21.257 -5.440 -9.653 1.00 1.52 H new ATOM 0 HD23 LEU A 73 22.717 -4.639 -9.027 1.00 1.52 H new ATOM 1049 N SER A 74 20.792 -1.778 -5.557 1.00 1.13 N ATOM 1050 CA SER A 74 20.171 -0.721 -4.764 1.00 1.36 C ATOM 1051 C SER A 74 20.628 0.650 -5.254 1.00 1.52 C ATOM 1052 O SER A 74 19.836 1.590 -5.339 1.00 1.76 O ATOM 1053 CB SER A 74 20.522 -0.896 -3.284 1.00 1.37 C ATOM 1054 OG SER A 74 20.560 -2.269 -2.925 1.00 1.67 O ATOM 0 H SER A 74 21.348 -2.440 -5.015 1.00 1.13 H new ATOM 0 HA SER A 74 19.089 -0.789 -4.880 1.00 1.36 H new ATOM 0 HB2 SER A 74 21.489 -0.437 -3.080 1.00 1.37 H new ATOM 0 HB3 SER A 74 19.787 -0.377 -2.669 1.00 1.37 H new ATOM 0 HG SER A 74 20.788 -2.353 -1.976 1.00 1.67 H new ATOM 1060 N ASP A 75 21.916 0.751 -5.574 1.00 1.47 N ATOM 1061 CA ASP A 75 22.504 1.995 -6.060 1.00 1.71 C ATOM 1062 C ASP A 75 21.790 2.492 -7.317 1.00 1.86 C ATOM 1063 O ASP A 75 21.624 3.697 -7.509 1.00 2.14 O ATOM 1064 CB ASP A 75 24.005 1.791 -6.338 1.00 1.72 C ATOM 1065 CG ASP A 75 24.768 1.227 -5.148 1.00 1.79 C ATOM 1066 OD1 ASP A 75 25.045 1.992 -4.198 1.00 2.34 O ATOM 1067 OD2 ASP A 75 25.099 0.024 -5.170 1.00 2.15 O ATOM 0 H ASP A 75 22.577 -0.022 -5.504 1.00 1.47 H new ATOM 0 HA ASP A 75 22.383 2.755 -5.288 1.00 1.71 H new ATOM 0 HB2 ASP A 75 24.122 1.118 -7.187 1.00 1.72 H new ATOM 0 HB3 ASP A 75 24.447 2.745 -6.625 1.00 1.72 H new ATOM 1072 N ASP A 76 21.384 1.559 -8.178 1.00 1.77 N ATOM 1073 CA ASP A 76 20.704 1.914 -9.422 1.00 2.01 C ATOM 1074 C ASP A 76 19.210 2.143 -9.195 1.00 1.98 C ATOM 1075 O ASP A 76 18.596 2.975 -9.864 1.00 2.28 O ATOM 1076 CB ASP A 76 20.941 0.836 -10.494 1.00 2.20 C ATOM 1077 CG ASP A 76 22.202 1.056 -11.313 1.00 2.36 C ATOM 1078 OD1 ASP A 76 23.310 0.892 -10.759 1.00 2.89 O ATOM 1079 OD2 ASP A 76 22.081 1.378 -12.513 1.00 2.64 O ATOM 0 H ASP A 76 21.514 0.557 -8.038 1.00 1.77 H new ATOM 0 HA ASP A 76 21.127 2.852 -9.780 1.00 2.01 H new ATOM 0 HB2 ASP A 76 20.998 -0.139 -10.010 1.00 2.20 H new ATOM 0 HB3 ASP A 76 20.083 0.809 -11.165 1.00 2.20 H new ATOM 1084 N ASN A 77 18.629 1.405 -8.250 1.00 1.87 N ATOM 1085 CA ASN A 77 17.207 1.541 -7.939 1.00 2.13 C ATOM 1086 C ASN A 77 16.946 1.318 -6.451 1.00 1.92 C ATOM 1087 O ASN A 77 17.264 0.260 -5.904 1.00 2.30 O ATOM 1088 CB ASN A 77 16.368 0.561 -8.771 1.00 3.00 C ATOM 1089 CG ASN A 77 16.531 -0.882 -8.327 1.00 3.68 C ATOM 1090 OD1 ASN A 77 17.654 -1.489 -8.686 1.00 3.93 O flip ATOM 1091 ND2 ASN A 77 15.657 -1.444 -7.668 1.00 4.42 N flip ATOM 0 H ASN A 77 19.119 0.709 -7.688 1.00 1.87 H new ATOM 0 HA ASN A 77 16.911 2.559 -8.194 1.00 2.13 H new ATOM 0 HB2 ASN A 77 15.317 0.841 -8.701 1.00 3.00 H new ATOM 0 HB3 ASN A 77 16.652 0.647 -9.820 1.00 3.00 H new ATOM 0 HD21 ASN A 77 14.808 -0.940 -7.413 1.00 4.42 H new ATOM 0 HD22 ASN A 77 15.782 -2.414 -7.377 1.00 4.42 H new ATOM 1098 N THR A 78 16.361 2.321 -5.801 1.00 2.42 N ATOM 1099 CA THR A 78 16.049 2.238 -4.378 1.00 3.13 C ATOM 1100 C THR A 78 14.950 1.207 -4.130 1.00 3.07 C ATOM 1101 O THR A 78 15.108 0.297 -3.313 1.00 3.33 O ATOM 1102 CB THR A 78 15.624 3.611 -3.841 1.00 4.02 C ATOM 1103 OG1 THR A 78 15.244 3.524 -2.479 1.00 4.29 O ATOM 1104 CG2 THR A 78 14.466 4.228 -4.598 1.00 4.87 C ATOM 0 H THR A 78 16.093 3.202 -6.239 1.00 2.42 H new ATOM 0 HA THR A 78 16.947 1.921 -3.847 1.00 3.13 H new ATOM 0 HB THR A 78 16.500 4.247 -3.970 1.00 4.02 H new ATOM 0 HG1 THR A 78 16.000 3.782 -1.911 1.00 4.29 H new ATOM 0 HG21 THR A 78 14.221 5.197 -4.162 1.00 4.87 H new ATOM 0 HG22 THR A 78 14.744 4.360 -5.644 1.00 4.87 H new ATOM 0 HG23 THR A 78 13.598 3.572 -4.534 1.00 4.87 H new ATOM 1112 N ILE A 79 13.842 1.351 -4.853 1.00 3.06 N ATOM 1113 CA ILE A 79 12.718 0.430 -4.726 1.00 3.21 C ATOM 1114 C ILE A 79 13.097 -0.952 -5.253 1.00 2.90 C ATOM 1115 O ILE A 79 13.128 -1.184 -6.461 1.00 3.08 O ATOM 1116 CB ILE A 79 11.467 0.956 -5.474 1.00 3.81 C ATOM 1117 CG1 ILE A 79 10.336 -0.088 -5.447 1.00 4.11 C ATOM 1118 CG2 ILE A 79 11.816 1.357 -6.906 1.00 4.49 C ATOM 1119 CD1 ILE A 79 9.931 -0.606 -6.813 1.00 4.56 C ATOM 0 H ILE A 79 13.699 2.098 -5.533 1.00 3.06 H new ATOM 0 HA ILE A 79 12.473 0.354 -3.667 1.00 3.21 H new ATOM 0 HB ILE A 79 11.111 1.848 -4.958 1.00 3.81 H new ATOM 0 HG12 ILE A 79 10.650 -0.930 -4.831 1.00 4.11 H new ATOM 0 HG13 ILE A 79 9.463 0.352 -4.965 1.00 4.11 H new ATOM 0 HG21 ILE A 79 10.921 1.723 -7.410 1.00 4.49 H new ATOM 0 HG22 ILE A 79 12.571 2.143 -6.890 1.00 4.49 H new ATOM 0 HG23 ILE A 79 12.206 0.491 -7.442 1.00 4.49 H new ATOM 0 HD11 ILE A 79 9.129 -1.336 -6.702 1.00 4.56 H new ATOM 0 HD12 ILE A 79 9.583 0.224 -7.428 1.00 4.56 H new ATOM 0 HD13 ILE A 79 10.789 -1.078 -7.292 1.00 4.56 H new ATOM 1131 N GLY A 80 13.398 -1.865 -4.335 1.00 2.87 N ATOM 1132 CA GLY A 80 13.782 -3.210 -4.717 1.00 2.77 C ATOM 1133 C GLY A 80 14.787 -3.801 -3.753 1.00 2.49 C ATOM 1134 O GLY A 80 14.714 -4.985 -3.413 1.00 2.38 O ATOM 0 H GLY A 80 13.382 -1.695 -3.329 1.00 2.87 H new ATOM 0 HA2 GLY A 80 12.896 -3.845 -4.754 1.00 2.77 H new ATOM 0 HA3 GLY A 80 14.206 -3.196 -5.721 1.00 2.77 H new ATOM 1138 N LYS A 81 15.718 -2.966 -3.293 1.00 2.47 N ATOM 1139 CA LYS A 81 16.738 -3.408 -2.345 1.00 2.30 C ATOM 1140 C LYS A 81 16.103 -4.178 -1.191 1.00 2.13 C ATOM 1141 O LYS A 81 16.628 -5.197 -0.753 1.00 1.92 O ATOM 1142 CB LYS A 81 17.534 -2.211 -1.809 1.00 2.45 C ATOM 1143 CG LYS A 81 16.886 -1.522 -0.616 1.00 2.98 C ATOM 1144 CD LYS A 81 17.614 -0.238 -0.245 1.00 3.54 C ATOM 1145 CE LYS A 81 17.109 0.947 -1.053 1.00 4.27 C ATOM 1146 NZ LYS A 81 15.645 1.160 -0.880 1.00 4.40 N ATOM 0 H LYS A 81 15.786 -1.984 -3.560 1.00 2.47 H new ATOM 0 HA LYS A 81 17.423 -4.073 -2.871 1.00 2.30 H new ATOM 0 HB2 LYS A 81 18.530 -2.549 -1.524 1.00 2.45 H new ATOM 0 HB3 LYS A 81 17.661 -1.484 -2.611 1.00 2.45 H new ATOM 0 HG2 LYS A 81 15.845 -1.297 -0.847 1.00 2.98 H new ATOM 0 HG3 LYS A 81 16.883 -2.199 0.238 1.00 2.98 H new ATOM 0 HD2 LYS A 81 17.480 -0.038 0.818 1.00 3.54 H new ATOM 0 HD3 LYS A 81 18.684 -0.364 -0.413 1.00 3.54 H new ATOM 0 HE2 LYS A 81 17.644 1.847 -0.749 1.00 4.27 H new ATOM 0 HE3 LYS A 81 17.329 0.786 -2.108 1.00 4.27 H new ATOM 0 HZ1 LYS A 81 15.414 2.156 -1.070 1.00 4.40 H new ATOM 0 HZ2 LYS A 81 15.125 0.552 -1.544 1.00 4.40 H new ATOM 0 HZ3 LYS A 81 15.372 0.921 0.095 1.00 4.40 H new ATOM 1160 N GLU A 82 14.968 -3.683 -0.709 1.00 2.24 N ATOM 1161 CA GLU A 82 14.255 -4.323 0.389 1.00 2.14 C ATOM 1162 C GLU A 82 14.040 -5.808 0.106 1.00 1.94 C ATOM 1163 O GLU A 82 14.444 -6.663 0.895 1.00 1.76 O ATOM 1164 CB GLU A 82 12.912 -3.624 0.622 1.00 2.37 C ATOM 1165 CG GLU A 82 13.046 -2.143 0.958 1.00 2.74 C ATOM 1166 CD GLU A 82 12.734 -1.234 -0.221 1.00 2.68 C ATOM 1167 OE1 GLU A 82 13.378 -1.388 -1.281 1.00 2.89 O ATOM 1168 OE2 GLU A 82 11.847 -0.367 -0.083 1.00 3.00 O ATOM 0 H GLU A 82 14.521 -2.837 -1.064 1.00 2.24 H new ATOM 0 HA GLU A 82 14.861 -4.235 1.291 1.00 2.14 H new ATOM 0 HB2 GLU A 82 12.296 -3.731 -0.271 1.00 2.37 H new ATOM 0 HB3 GLU A 82 12.386 -4.126 1.434 1.00 2.37 H new ATOM 0 HG2 GLU A 82 12.376 -1.901 1.783 1.00 2.74 H new ATOM 0 HG3 GLU A 82 14.061 -1.945 1.303 1.00 2.74 H new ATOM 1175 N GLU A 83 13.415 -6.112 -1.031 1.00 2.03 N ATOM 1176 CA GLU A 83 13.171 -7.498 -1.414 1.00 1.94 C ATOM 1177 C GLU A 83 14.486 -8.268 -1.445 1.00 1.73 C ATOM 1178 O GLU A 83 14.596 -9.365 -0.895 1.00 1.57 O ATOM 1179 CB GLU A 83 12.484 -7.571 -2.782 1.00 2.17 C ATOM 1180 CG GLU A 83 11.442 -8.678 -2.889 1.00 2.39 C ATOM 1181 CD GLU A 83 11.906 -9.990 -2.280 1.00 2.51 C ATOM 1182 OE1 GLU A 83 12.563 -10.777 -2.992 1.00 2.93 O ATOM 1183 OE2 GLU A 83 11.614 -10.228 -1.088 1.00 2.94 O ATOM 0 H GLU A 83 13.071 -5.421 -1.698 1.00 2.03 H new ATOM 0 HA GLU A 83 12.510 -7.950 -0.675 1.00 1.94 H new ATOM 0 HB2 GLU A 83 12.006 -6.614 -2.990 1.00 2.17 H new ATOM 0 HB3 GLU A 83 13.242 -7.722 -3.551 1.00 2.17 H new ATOM 0 HG2 GLU A 83 10.526 -8.357 -2.392 1.00 2.39 H new ATOM 0 HG3 GLU A 83 11.196 -8.838 -3.939 1.00 2.39 H new ATOM 1190 N ILE A 84 15.491 -7.675 -2.082 1.00 1.75 N ATOM 1191 CA ILE A 84 16.808 -8.292 -2.176 1.00 1.60 C ATOM 1192 C ILE A 84 17.307 -8.694 -0.790 1.00 1.38 C ATOM 1193 O ILE A 84 17.746 -9.824 -0.580 1.00 1.22 O ATOM 1194 CB ILE A 84 17.833 -7.341 -2.837 1.00 1.73 C ATOM 1195 CG1 ILE A 84 17.382 -6.972 -4.255 1.00 2.03 C ATOM 1196 CG2 ILE A 84 19.218 -7.977 -2.861 1.00 1.57 C ATOM 1197 CD1 ILE A 84 18.281 -5.964 -4.939 1.00 2.47 C ATOM 0 H ILE A 84 15.417 -6.767 -2.541 1.00 1.75 H new ATOM 0 HA ILE A 84 16.710 -9.180 -2.800 1.00 1.60 H new ATOM 0 HB ILE A 84 17.889 -6.428 -2.245 1.00 1.73 H new ATOM 0 HG12 ILE A 84 17.341 -7.878 -4.860 1.00 2.03 H new ATOM 0 HG13 ILE A 84 16.369 -6.571 -4.211 1.00 2.03 H new ATOM 0 HG21 ILE A 84 19.925 -7.292 -3.330 1.00 1.57 H new ATOM 0 HG22 ILE A 84 19.539 -8.188 -1.841 1.00 1.57 H new ATOM 0 HG23 ILE A 84 19.182 -8.906 -3.429 1.00 1.57 H new ATOM 0 HD11 ILE A 84 17.898 -5.753 -5.937 1.00 2.47 H new ATOM 0 HD12 ILE A 84 18.304 -5.043 -4.357 1.00 2.47 H new ATOM 0 HD13 ILE A 84 19.290 -6.369 -5.016 1.00 2.47 H new ATOM 1209 N GLN A 85 17.227 -7.762 0.157 1.00 1.45 N ATOM 1210 CA GLN A 85 17.660 -8.022 1.523 1.00 1.35 C ATOM 1211 C GLN A 85 16.984 -9.274 2.069 1.00 1.19 C ATOM 1212 O GLN A 85 17.642 -10.143 2.641 1.00 1.05 O ATOM 1213 CB GLN A 85 17.359 -6.819 2.423 1.00 1.56 C ATOM 1214 CG GLN A 85 18.549 -5.892 2.616 1.00 1.77 C ATOM 1215 CD GLN A 85 18.961 -5.199 1.331 1.00 2.36 C ATOM 1216 OE1 GLN A 85 18.524 -4.086 1.043 1.00 2.80 O ATOM 1217 NE2 GLN A 85 19.805 -5.860 0.547 1.00 3.13 N ATOM 0 H GLN A 85 16.866 -6.821 0.001 1.00 1.45 H new ATOM 0 HA GLN A 85 18.738 -8.185 1.514 1.00 1.35 H new ATOM 0 HB2 GLN A 85 16.533 -6.252 1.994 1.00 1.56 H new ATOM 0 HB3 GLN A 85 17.027 -7.178 3.397 1.00 1.56 H new ATOM 0 HG2 GLN A 85 18.302 -5.141 3.367 1.00 1.77 H new ATOM 0 HG3 GLN A 85 19.392 -6.464 3.003 1.00 1.77 H new ATOM 0 HE21 GLN A 85 20.143 -6.782 0.824 1.00 3.13 H new ATOM 0 HE22 GLN A 85 20.115 -5.446 -0.332 1.00 3.13 H new ATOM 1226 N GLN A 86 15.671 -9.370 1.879 1.00 1.26 N ATOM 1227 CA GLN A 86 14.918 -10.532 2.344 1.00 1.18 C ATOM 1228 C GLN A 86 15.511 -11.812 1.759 1.00 1.03 C ATOM 1229 O GLN A 86 15.776 -12.772 2.482 1.00 0.90 O ATOM 1230 CB GLN A 86 13.441 -10.408 1.959 1.00 1.37 C ATOM 1231 CG GLN A 86 12.868 -9.016 2.179 1.00 1.47 C ATOM 1232 CD GLN A 86 11.396 -9.037 2.544 1.00 2.31 C ATOM 1233 OE1 GLN A 86 11.018 -8.711 3.668 1.00 2.90 O ATOM 1234 NE2 GLN A 86 10.556 -9.426 1.593 1.00 3.09 N ATOM 0 H GLN A 86 15.108 -8.661 1.409 1.00 1.26 H new ATOM 0 HA GLN A 86 14.987 -10.576 3.431 1.00 1.18 H new ATOM 0 HB2 GLN A 86 13.324 -10.678 0.909 1.00 1.37 H new ATOM 0 HB3 GLN A 86 12.862 -11.126 2.539 1.00 1.37 H new ATOM 0 HG2 GLN A 86 13.427 -8.519 2.972 1.00 1.47 H new ATOM 0 HG3 GLN A 86 13.005 -8.425 1.274 1.00 1.47 H new ATOM 0 HE21 GLN A 86 10.912 -9.688 0.674 1.00 3.09 H new ATOM 0 HE22 GLN A 86 9.554 -9.463 1.781 1.00 3.09 H new ATOM 1243 N ARG A 87 15.728 -11.809 0.444 1.00 1.11 N ATOM 1244 CA ARG A 87 16.304 -12.964 -0.241 1.00 1.09 C ATOM 1245 C ARG A 87 17.663 -13.317 0.357 1.00 0.91 C ATOM 1246 O ARG A 87 17.916 -14.466 0.721 1.00 0.87 O ATOM 1247 CB ARG A 87 16.449 -12.683 -1.740 1.00 1.29 C ATOM 1248 CG ARG A 87 15.145 -12.296 -2.422 1.00 1.78 C ATOM 1249 CD ARG A 87 14.389 -13.516 -2.930 1.00 2.22 C ATOM 1250 NE ARG A 87 14.014 -14.431 -1.852 1.00 2.81 N ATOM 1251 CZ ARG A 87 13.119 -14.146 -0.910 1.00 3.73 C ATOM 1252 NH1 ARG A 87 12.525 -12.959 -0.885 1.00 4.43 N ATOM 1253 NH2 ARG A 87 12.818 -15.050 0.013 1.00 4.21 N ATOM 0 H ARG A 87 15.514 -11.021 -0.167 1.00 1.11 H new ATOM 0 HA ARG A 87 15.630 -13.810 -0.107 1.00 1.09 H new ATOM 0 HB2 ARG A 87 17.174 -11.881 -1.881 1.00 1.29 H new ATOM 0 HB3 ARG A 87 16.855 -13.569 -2.229 1.00 1.29 H new ATOM 0 HG2 ARG A 87 14.518 -11.745 -1.721 1.00 1.78 H new ATOM 0 HG3 ARG A 87 15.356 -11.626 -3.255 1.00 1.78 H new ATOM 0 HD2 ARG A 87 13.491 -13.190 -3.455 1.00 2.22 H new ATOM 0 HD3 ARG A 87 15.007 -14.047 -3.654 1.00 2.22 H new ATOM 0 HE ARG A 87 14.467 -15.344 -1.821 1.00 2.81 H new ATOM 0 HH11 ARG A 87 12.754 -12.259 -1.591 1.00 4.43 H new ATOM 0 HH12 ARG A 87 11.840 -12.747 -0.160 1.00 4.43 H new ATOM 0 HH21 ARG A 87 13.273 -15.963 0.000 1.00 4.21 H new ATOM 0 HH22 ARG A 87 12.132 -14.832 0.736 1.00 4.21 H new ATOM 1267 N LEU A 88 18.535 -12.317 0.457 1.00 0.87 N ATOM 1268 CA LEU A 88 19.864 -12.519 1.019 1.00 0.78 C ATOM 1269 C LEU A 88 19.757 -13.147 2.403 1.00 0.71 C ATOM 1270 O LEU A 88 20.517 -14.051 2.749 1.00 0.67 O ATOM 1271 CB LEU A 88 20.615 -11.185 1.102 1.00 0.86 C ATOM 1272 CG LEU A 88 22.050 -11.279 1.637 1.00 1.04 C ATOM 1273 CD1 LEU A 88 22.986 -11.819 0.567 1.00 1.15 C ATOM 1274 CD2 LEU A 88 22.524 -9.920 2.131 1.00 1.90 C ATOM 0 H LEU A 88 18.344 -11.361 0.156 1.00 0.87 H new ATOM 0 HA LEU A 88 20.420 -13.193 0.367 1.00 0.78 H new ATOM 0 HB2 LEU A 88 20.643 -10.739 0.108 1.00 0.86 H new ATOM 0 HB3 LEU A 88 20.049 -10.506 1.740 1.00 0.86 H new ATOM 0 HG LEU A 88 22.060 -11.972 2.478 1.00 1.04 H new ATOM 0 HD11 LEU A 88 23.999 -11.878 0.966 1.00 1.15 H new ATOM 0 HD12 LEU A 88 22.657 -12.813 0.263 1.00 1.15 H new ATOM 0 HD13 LEU A 88 22.974 -11.154 -0.296 1.00 1.15 H new ATOM 0 HD21 LEU A 88 23.544 -10.005 2.507 1.00 1.90 H new ATOM 0 HD22 LEU A 88 22.499 -9.205 1.309 1.00 1.90 H new ATOM 0 HD23 LEU A 88 21.870 -9.575 2.932 1.00 1.90 H new ATOM 1286 N ALA A 89 18.794 -12.668 3.187 1.00 0.77 N ATOM 1287 CA ALA A 89 18.569 -13.186 4.529 1.00 0.81 C ATOM 1288 C ALA A 89 18.331 -14.690 4.486 1.00 0.74 C ATOM 1289 O ALA A 89 18.775 -15.425 5.363 1.00 0.77 O ATOM 1290 CB ALA A 89 17.391 -12.474 5.181 1.00 0.97 C ATOM 0 H ALA A 89 18.157 -11.920 2.913 1.00 0.77 H new ATOM 0 HA ALA A 89 19.460 -12.998 5.129 1.00 0.81 H new ATOM 0 HB1 ALA A 89 17.235 -12.872 6.184 1.00 0.97 H new ATOM 0 HB2 ALA A 89 17.600 -11.406 5.243 1.00 0.97 H new ATOM 0 HB3 ALA A 89 16.493 -12.634 4.584 1.00 0.97 H new ATOM 1296 N GLN A 90 17.640 -15.141 3.446 1.00 0.73 N ATOM 1297 CA GLN A 90 17.355 -16.562 3.277 1.00 0.79 C ATOM 1298 C GLN A 90 18.650 -17.341 3.075 1.00 0.73 C ATOM 1299 O GLN A 90 18.856 -18.401 3.667 1.00 0.79 O ATOM 1300 CB GLN A 90 16.419 -16.779 2.085 1.00 0.90 C ATOM 1301 CG GLN A 90 15.457 -17.942 2.268 1.00 1.35 C ATOM 1302 CD GLN A 90 14.918 -18.456 0.948 1.00 1.96 C ATOM 1303 OE1 GLN A 90 15.360 -19.643 0.549 1.00 2.38 O flip ATOM 1304 NE2 GLN A 90 14.116 -17.789 0.293 1.00 2.72 N flip ATOM 0 H GLN A 90 17.267 -14.545 2.707 1.00 0.73 H new ATOM 0 HA GLN A 90 16.863 -16.926 4.179 1.00 0.79 H new ATOM 0 HB2 GLN A 90 15.846 -15.868 1.914 1.00 0.90 H new ATOM 0 HB3 GLN A 90 17.018 -16.951 1.191 1.00 0.90 H new ATOM 0 HG2 GLN A 90 15.965 -18.752 2.791 1.00 1.35 H new ATOM 0 HG3 GLN A 90 14.626 -17.627 2.899 1.00 1.35 H new ATOM 0 HE21 GLN A 90 13.804 -16.882 0.640 1.00 2.72 H new ATOM 0 HE22 GLN A 90 13.764 -18.144 -0.596 1.00 2.72 H new ATOM 1313 N PHE A 91 19.520 -16.810 2.223 1.00 0.66 N ATOM 1314 CA PHE A 91 20.798 -17.451 1.935 1.00 0.67 C ATOM 1315 C PHE A 91 21.626 -17.591 3.210 1.00 0.67 C ATOM 1316 O PHE A 91 22.177 -18.655 3.494 1.00 0.74 O ATOM 1317 CB PHE A 91 21.573 -16.648 0.882 1.00 0.65 C ATOM 1318 CG PHE A 91 22.967 -17.149 0.640 1.00 0.66 C ATOM 1319 CD1 PHE A 91 24.012 -16.790 1.478 1.00 1.03 C ATOM 1320 CD2 PHE A 91 23.229 -17.977 -0.435 1.00 0.93 C ATOM 1321 CE1 PHE A 91 25.292 -17.249 1.243 1.00 1.19 C ATOM 1322 CE2 PHE A 91 24.504 -18.438 -0.672 1.00 0.92 C ATOM 1323 CZ PHE A 91 25.537 -18.074 0.164 1.00 0.90 C ATOM 0 H PHE A 91 19.364 -15.937 1.719 1.00 0.66 H new ATOM 0 HA PHE A 91 20.602 -18.447 1.539 1.00 0.67 H new ATOM 0 HB2 PHE A 91 21.021 -16.671 -0.057 1.00 0.65 H new ATOM 0 HB3 PHE A 91 21.622 -15.606 1.197 1.00 0.65 H new ATOM 0 HD1 PHE A 91 23.822 -16.145 2.323 1.00 1.03 H new ATOM 0 HD2 PHE A 91 22.425 -18.265 -1.096 1.00 0.93 H new ATOM 0 HE1 PHE A 91 26.099 -16.964 1.901 1.00 1.19 H new ATOM 0 HE2 PHE A 91 24.695 -19.086 -1.515 1.00 0.92 H new ATOM 0 HZ PHE A 91 26.538 -18.434 -0.025 1.00 0.90 H new ATOM 1333 N VAL A 92 21.704 -16.511 3.985 1.00 0.64 N ATOM 1334 CA VAL A 92 22.467 -16.534 5.224 1.00 0.72 C ATOM 1335 C VAL A 92 21.940 -17.619 6.157 1.00 0.77 C ATOM 1336 O VAL A 92 22.716 -18.382 6.729 1.00 0.86 O ATOM 1337 CB VAL A 92 22.472 -15.156 5.936 1.00 0.77 C ATOM 1338 CG1 VAL A 92 21.333 -15.024 6.939 1.00 1.37 C ATOM 1339 CG2 VAL A 92 23.811 -14.923 6.621 1.00 0.86 C ATOM 0 H VAL A 92 21.253 -15.620 3.778 1.00 0.64 H new ATOM 0 HA VAL A 92 23.500 -16.764 4.962 1.00 0.72 H new ATOM 0 HB VAL A 92 22.320 -14.393 5.172 1.00 0.77 H new ATOM 0 HG11 VAL A 92 21.377 -14.043 7.413 1.00 1.37 H new ATOM 0 HG12 VAL A 92 20.379 -15.135 6.423 1.00 1.37 H new ATOM 0 HG13 VAL A 92 21.427 -15.799 7.700 1.00 1.37 H new ATOM 0 HG21 VAL A 92 23.802 -13.952 7.117 1.00 0.86 H new ATOM 0 HG22 VAL A 92 23.983 -15.706 7.359 1.00 0.86 H new ATOM 0 HG23 VAL A 92 24.608 -14.943 5.878 1.00 0.86 H new ATOM 1349 N ASP A 93 20.612 -17.713 6.275 1.00 0.77 N ATOM 1350 CA ASP A 93 19.997 -18.736 7.117 1.00 0.86 C ATOM 1351 C ASP A 93 20.556 -20.104 6.749 1.00 0.91 C ATOM 1352 O ASP A 93 21.037 -20.844 7.605 1.00 1.00 O ATOM 1353 CB ASP A 93 18.470 -18.730 6.964 1.00 0.90 C ATOM 1354 CG ASP A 93 17.922 -20.061 6.479 1.00 1.10 C ATOM 1355 OD1 ASP A 93 18.681 -20.819 5.839 1.00 1.71 O ATOM 1356 OD2 ASP A 93 16.733 -20.343 6.735 1.00 1.55 O ATOM 0 H ASP A 93 19.950 -17.098 5.802 1.00 0.77 H new ATOM 0 HA ASP A 93 20.232 -18.516 8.158 1.00 0.86 H new ATOM 0 HB2 ASP A 93 18.014 -18.482 7.923 1.00 0.90 H new ATOM 0 HB3 ASP A 93 18.183 -17.947 6.263 1.00 0.90 H new ATOM 1361 N HIS A 94 20.516 -20.421 5.459 1.00 0.89 N ATOM 1362 CA HIS A 94 21.036 -21.692 4.968 1.00 0.98 C ATOM 1363 C HIS A 94 22.448 -21.923 5.494 1.00 1.00 C ATOM 1364 O HIS A 94 22.716 -22.918 6.168 1.00 1.12 O ATOM 1365 CB HIS A 94 21.057 -21.702 3.440 1.00 1.00 C ATOM 1366 CG HIS A 94 19.710 -21.507 2.806 1.00 1.35 C ATOM 1367 ND1 HIS A 94 18.513 -21.190 3.366 1.00 2.17 N flip ATOM 1368 CD2 HIS A 94 19.470 -21.645 1.456 1.00 1.73 C flip ATOM 1369 CE1 HIS A 94 17.541 -21.133 2.369 1.00 2.46 C flip ATOM 1370 NE2 HIS A 94 18.167 -21.413 1.243 1.00 2.14 N flip ATOM 0 H HIS A 94 20.129 -19.816 4.735 1.00 0.89 H new ATOM 0 HA HIS A 94 20.384 -22.490 5.324 1.00 0.98 H new ATOM 0 HB2 HIS A 94 21.728 -20.916 3.092 1.00 1.00 H new ATOM 0 HB3 HIS A 94 21.473 -22.650 3.099 1.00 1.00 H new ATOM 0 HD1 HIS A 94 18.352 -21.021 4.359 1.00 2.17 H new ATOM 0 HD2 HIS A 94 20.202 -21.896 0.703 1.00 1.73 H new ATOM 0 HE1 HIS A 94 16.492 -20.906 2.493 1.00 2.46 H new ATOM 1378 N TRP A 95 23.347 -20.989 5.193 1.00 0.93 N ATOM 1379 CA TRP A 95 24.731 -21.097 5.643 1.00 1.00 C ATOM 1380 C TRP A 95 24.794 -21.378 7.140 1.00 1.06 C ATOM 1381 O TRP A 95 25.559 -22.231 7.584 1.00 1.16 O ATOM 1382 CB TRP A 95 25.511 -19.820 5.319 1.00 0.97 C ATOM 1383 CG TRP A 95 26.998 -19.989 5.445 1.00 1.09 C ATOM 1384 CD1 TRP A 95 27.726 -21.099 5.128 1.00 2.01 C ATOM 1385 CD2 TRP A 95 27.937 -19.018 5.924 1.00 1.04 C ATOM 1386 NE1 TRP A 95 29.058 -20.878 5.384 1.00 1.88 N ATOM 1387 CE2 TRP A 95 29.211 -19.608 5.868 1.00 1.04 C ATOM 1388 CE3 TRP A 95 27.823 -17.709 6.390 1.00 2.03 C ATOM 1389 CZ2 TRP A 95 30.362 -18.932 6.264 1.00 1.13 C ATOM 1390 CZ3 TRP A 95 28.965 -17.037 6.783 1.00 2.64 C ATOM 1391 CH2 TRP A 95 30.221 -17.650 6.716 1.00 2.05 C ATOM 0 H TRP A 95 23.143 -20.154 4.643 1.00 0.93 H new ATOM 0 HA TRP A 95 25.189 -21.931 5.111 1.00 1.00 H new ATOM 0 HB2 TRP A 95 25.272 -19.503 4.304 1.00 0.97 H new ATOM 0 HB3 TRP A 95 25.184 -19.023 5.987 1.00 0.97 H new ATOM 0 HD1 TRP A 95 27.315 -22.017 4.734 1.00 2.01 H new ATOM 0 HE1 TRP A 95 29.810 -21.551 5.237 1.00 1.88 H new ATOM 0 HE3 TRP A 95 26.858 -17.228 6.443 1.00 2.03 H new ATOM 0 HZ2 TRP A 95 31.332 -19.404 6.216 1.00 1.13 H new ATOM 0 HZ3 TRP A 95 28.887 -16.023 7.147 1.00 2.64 H new ATOM 0 HH2 TRP A 95 31.096 -17.099 7.028 1.00 2.05 H new ATOM 1402 N LYS A 96 23.987 -20.653 7.917 1.00 1.03 N ATOM 1403 CA LYS A 96 23.960 -20.845 9.367 1.00 1.12 C ATOM 1404 C LYS A 96 23.790 -22.322 9.707 1.00 1.21 C ATOM 1405 O LYS A 96 24.539 -22.871 10.513 1.00 1.32 O ATOM 1406 CB LYS A 96 22.836 -20.033 10.019 1.00 1.12 C ATOM 1407 CG LYS A 96 22.857 -18.553 9.664 1.00 1.49 C ATOM 1408 CD LYS A 96 22.410 -17.686 10.834 1.00 1.83 C ATOM 1409 CE LYS A 96 20.894 -17.559 10.892 1.00 2.36 C ATOM 1410 NZ LYS A 96 20.420 -16.274 10.306 1.00 2.86 N ATOM 0 H LYS A 96 23.350 -19.935 7.571 1.00 1.03 H new ATOM 0 HA LYS A 96 24.912 -20.491 9.762 1.00 1.12 H new ATOM 0 HB2 LYS A 96 21.876 -20.455 9.720 1.00 1.12 H new ATOM 0 HB3 LYS A 96 22.907 -20.138 11.102 1.00 1.12 H new ATOM 0 HG2 LYS A 96 23.864 -18.266 9.362 1.00 1.49 H new ATOM 0 HG3 LYS A 96 22.205 -18.375 8.809 1.00 1.49 H new ATOM 0 HD2 LYS A 96 22.775 -18.116 11.766 1.00 1.83 H new ATOM 0 HD3 LYS A 96 22.855 -16.695 10.744 1.00 1.83 H new ATOM 0 HE2 LYS A 96 20.439 -18.392 10.356 1.00 2.36 H new ATOM 0 HE3 LYS A 96 20.563 -17.629 11.928 1.00 2.36 H new ATOM 0 HZ1 LYS A 96 20.027 -15.673 11.059 1.00 2.86 H new ATOM 0 HZ2 LYS A 96 21.218 -15.784 9.853 1.00 2.86 H new ATOM 0 HZ3 LYS A 96 19.684 -16.466 9.597 1.00 2.86 H new ATOM 1424 N GLU A 97 22.802 -22.963 9.087 1.00 1.20 N ATOM 1425 CA GLU A 97 22.553 -24.381 9.330 1.00 1.32 C ATOM 1426 C GLU A 97 23.839 -25.180 9.134 1.00 1.36 C ATOM 1427 O GLU A 97 24.223 -25.988 9.982 1.00 1.47 O ATOM 1428 CB GLU A 97 21.457 -24.904 8.394 1.00 1.36 C ATOM 1429 CG GLU A 97 21.325 -26.420 8.389 1.00 1.86 C ATOM 1430 CD GLU A 97 20.342 -26.921 9.429 1.00 2.35 C ATOM 1431 OE1 GLU A 97 20.609 -26.742 10.636 1.00 2.68 O ATOM 1432 OE2 GLU A 97 19.301 -27.493 9.038 1.00 3.03 O ATOM 0 H GLU A 97 22.166 -22.528 8.419 1.00 1.20 H new ATOM 0 HA GLU A 97 22.214 -24.502 10.359 1.00 1.32 H new ATOM 0 HB2 GLU A 97 20.503 -24.467 8.687 1.00 1.36 H new ATOM 0 HB3 GLU A 97 21.665 -24.563 7.380 1.00 1.36 H new ATOM 0 HG2 GLU A 97 21.004 -26.750 7.401 1.00 1.86 H new ATOM 0 HG3 GLU A 97 22.302 -26.867 8.572 1.00 1.86 H new ATOM 1439 N LEU A 98 24.501 -24.941 8.007 1.00 1.31 N ATOM 1440 CA LEU A 98 25.748 -25.627 7.691 1.00 1.37 C ATOM 1441 C LEU A 98 26.775 -25.409 8.796 1.00 1.42 C ATOM 1442 O LEU A 98 27.419 -26.354 9.251 1.00 1.54 O ATOM 1443 CB LEU A 98 26.306 -25.138 6.348 1.00 1.31 C ATOM 1444 CG LEU A 98 26.545 -26.234 5.304 1.00 1.61 C ATOM 1445 CD1 LEU A 98 27.486 -27.302 5.850 1.00 2.07 C ATOM 1446 CD2 LEU A 98 25.224 -26.854 4.867 1.00 2.38 C ATOM 0 H LEU A 98 24.194 -24.277 7.297 1.00 1.31 H new ATOM 0 HA LEU A 98 25.540 -26.694 7.615 1.00 1.37 H new ATOM 0 HB2 LEU A 98 25.615 -24.405 5.931 1.00 1.31 H new ATOM 0 HB3 LEU A 98 27.248 -24.621 6.531 1.00 1.31 H new ATOM 0 HG LEU A 98 27.015 -25.779 4.432 1.00 1.61 H new ATOM 0 HD11 LEU A 98 27.642 -28.071 5.093 1.00 2.07 H new ATOM 0 HD12 LEU A 98 28.442 -26.847 6.108 1.00 2.07 H new ATOM 0 HD13 LEU A 98 27.047 -27.753 6.740 1.00 2.07 H new ATOM 0 HD21 LEU A 98 25.414 -27.630 4.126 1.00 2.38 H new ATOM 0 HD22 LEU A 98 24.724 -27.292 5.731 1.00 2.38 H new ATOM 0 HD23 LEU A 98 24.587 -26.084 4.431 1.00 2.38 H new ATOM 1458 N LYS A 99 26.919 -24.159 9.233 1.00 1.38 N ATOM 1459 CA LYS A 99 27.865 -23.828 10.294 1.00 1.47 C ATOM 1460 C LYS A 99 27.564 -24.661 11.534 1.00 1.60 C ATOM 1461 O LYS A 99 28.463 -25.255 12.127 1.00 1.74 O ATOM 1462 CB LYS A 99 27.810 -22.331 10.627 1.00 1.45 C ATOM 1463 CG LYS A 99 28.598 -21.940 11.873 1.00 1.90 C ATOM 1464 CD LYS A 99 30.085 -22.237 11.724 1.00 2.41 C ATOM 1465 CE LYS A 99 30.761 -22.414 13.075 1.00 3.14 C ATOM 1466 NZ LYS A 99 30.547 -23.780 13.629 1.00 4.07 N ATOM 0 H LYS A 99 26.395 -23.363 8.870 1.00 1.38 H new ATOM 0 HA LYS A 99 28.872 -24.059 9.947 1.00 1.47 H new ATOM 0 HB2 LYS A 99 28.192 -21.766 9.777 1.00 1.45 H new ATOM 0 HB3 LYS A 99 26.769 -22.038 10.762 1.00 1.45 H new ATOM 0 HG2 LYS A 99 28.459 -20.877 12.072 1.00 1.90 H new ATOM 0 HG3 LYS A 99 28.205 -22.480 12.735 1.00 1.90 H new ATOM 0 HD2 LYS A 99 30.218 -23.141 11.129 1.00 2.41 H new ATOM 0 HD3 LYS A 99 30.566 -21.424 11.180 1.00 2.41 H new ATOM 0 HE2 LYS A 99 31.830 -22.227 12.973 1.00 3.14 H new ATOM 0 HE3 LYS A 99 30.373 -21.674 13.775 1.00 3.14 H new ATOM 0 HZ1 LYS A 99 30.410 -23.720 14.658 1.00 4.07 H new ATOM 0 HZ2 LYS A 99 29.704 -24.204 13.192 1.00 4.07 H new ATOM 0 HZ3 LYS A 99 31.378 -24.372 13.424 1.00 4.07 H new ATOM 1480 N GLN A 100 26.287 -24.715 11.904 1.00 1.58 N ATOM 1481 CA GLN A 100 25.857 -25.493 13.059 1.00 1.72 C ATOM 1482 C GLN A 100 26.342 -26.931 12.923 1.00 1.81 C ATOM 1483 O GLN A 100 27.042 -27.447 13.794 1.00 1.95 O ATOM 1484 CB GLN A 100 24.331 -25.464 13.189 1.00 1.71 C ATOM 1485 CG GLN A 100 23.827 -25.824 14.580 1.00 1.93 C ATOM 1486 CD GLN A 100 23.511 -27.301 14.723 1.00 2.66 C ATOM 1487 OE1 GLN A 100 22.353 -27.709 14.633 1.00 3.23 O ATOM 1488 NE2 GLN A 100 24.539 -28.110 14.948 1.00 3.33 N ATOM 0 H GLN A 100 25.533 -24.228 11.419 1.00 1.58 H new ATOM 0 HA GLN A 100 26.289 -25.052 13.958 1.00 1.72 H new ATOM 0 HB2 GLN A 100 23.972 -24.468 12.929 1.00 1.71 H new ATOM 0 HB3 GLN A 100 23.901 -26.157 12.466 1.00 1.71 H new ATOM 0 HG2 GLN A 100 24.579 -25.544 15.318 1.00 1.93 H new ATOM 0 HG3 GLN A 100 22.932 -25.242 14.800 1.00 1.93 H new ATOM 0 HE21 GLN A 100 25.483 -27.729 15.015 1.00 3.33 H new ATOM 0 HE22 GLN A 100 24.385 -29.113 15.054 1.00 3.33 H new ATOM 1497 N LEU A 101 25.979 -27.566 11.810 1.00 1.77 N ATOM 1498 CA LEU A 101 26.394 -28.939 11.545 1.00 1.89 C ATOM 1499 C LEU A 101 27.898 -29.084 11.764 1.00 1.96 C ATOM 1500 O LEU A 101 28.350 -29.976 12.483 1.00 2.12 O ATOM 1501 CB LEU A 101 26.024 -29.336 10.112 1.00 1.86 C ATOM 1502 CG LEU A 101 26.368 -30.777 9.722 1.00 2.09 C ATOM 1503 CD1 LEU A 101 25.482 -31.762 10.473 1.00 2.56 C ATOM 1504 CD2 LEU A 101 26.229 -30.970 8.217 1.00 2.59 C ATOM 0 H LEU A 101 25.400 -27.151 11.080 1.00 1.77 H new ATOM 0 HA LEU A 101 25.874 -29.604 12.235 1.00 1.89 H new ATOM 0 HB2 LEU A 101 24.953 -29.186 9.976 1.00 1.86 H new ATOM 0 HB3 LEU A 101 26.530 -28.660 9.423 1.00 1.86 H new ATOM 0 HG LEU A 101 27.404 -30.970 9.999 1.00 2.09 H new ATOM 0 HD11 LEU A 101 25.742 -32.780 10.182 1.00 2.56 H new ATOM 0 HD12 LEU A 101 25.632 -31.642 11.546 1.00 2.56 H new ATOM 0 HD13 LEU A 101 24.437 -31.571 10.229 1.00 2.56 H new ATOM 0 HD21 LEU A 101 26.477 -31.999 7.958 1.00 2.59 H new ATOM 0 HD22 LEU A 101 25.203 -30.757 7.916 1.00 2.59 H new ATOM 0 HD23 LEU A 101 26.907 -30.292 7.699 1.00 2.59 H new ATOM 1516 N ALA A 102 28.668 -28.184 11.154 1.00 1.86 N ATOM 1517 CA ALA A 102 30.120 -28.195 11.297 1.00 1.95 C ATOM 1518 C ALA A 102 30.507 -28.202 12.771 1.00 2.09 C ATOM 1519 O ALA A 102 31.338 -29.000 13.205 1.00 2.24 O ATOM 1520 CB ALA A 102 30.736 -26.997 10.589 1.00 1.85 C ATOM 0 H ALA A 102 28.309 -27.439 10.557 1.00 1.86 H new ATOM 0 HA ALA A 102 30.506 -29.102 10.833 1.00 1.95 H new ATOM 0 HB1 ALA A 102 31.819 -27.022 10.707 1.00 1.85 H new ATOM 0 HB2 ALA A 102 30.485 -27.032 9.529 1.00 1.85 H new ATOM 0 HB3 ALA A 102 30.345 -26.077 11.024 1.00 1.85 H new ATOM 1526 N ALA A 103 29.883 -27.313 13.542 1.00 2.07 N ATOM 1527 CA ALA A 103 30.146 -27.228 14.972 1.00 2.24 C ATOM 1528 C ALA A 103 29.985 -28.602 15.614 1.00 2.38 C ATOM 1529 O ALA A 103 30.837 -29.043 16.387 1.00 2.56 O ATOM 1530 CB ALA A 103 29.215 -26.214 15.625 1.00 2.21 C ATOM 0 H ALA A 103 29.194 -26.644 13.199 1.00 2.07 H new ATOM 0 HA ALA A 103 31.172 -26.892 15.123 1.00 2.24 H new ATOM 0 HB1 ALA A 103 29.425 -26.163 16.693 1.00 2.21 H new ATOM 0 HB2 ALA A 103 29.373 -25.233 15.177 1.00 2.21 H new ATOM 0 HB3 ALA A 103 28.180 -26.520 15.473 1.00 2.21 H new ATOM 1536 N ALA A 104 28.892 -29.281 15.271 1.00 2.34 N ATOM 1537 CA ALA A 104 28.623 -30.617 15.793 1.00 2.50 C ATOM 1538 C ALA A 104 29.762 -31.563 15.433 1.00 2.58 C ATOM 1539 O ALA A 104 30.199 -32.370 16.254 1.00 2.74 O ATOM 1540 CB ALA A 104 27.301 -31.144 15.251 1.00 2.48 C ATOM 0 H ALA A 104 28.179 -28.927 14.634 1.00 2.34 H new ATOM 0 HA ALA A 104 28.550 -30.558 16.879 1.00 2.50 H new ATOM 0 HB1 ALA A 104 27.116 -32.141 15.650 1.00 2.48 H new ATOM 0 HB2 ALA A 104 26.493 -30.477 15.551 1.00 2.48 H new ATOM 0 HB3 ALA A 104 27.347 -31.191 14.163 1.00 2.48 H new ATOM 1546 N ARG A 105 30.246 -31.449 14.196 1.00 2.50 N ATOM 1547 CA ARG A 105 31.347 -32.280 13.718 1.00 2.60 C ATOM 1548 C ARG A 105 32.504 -32.239 14.714 1.00 2.72 C ATOM 1549 O ARG A 105 33.136 -33.258 14.992 1.00 2.88 O ATOM 1550 CB ARG A 105 31.815 -31.800 12.337 1.00 2.49 C ATOM 1551 CG ARG A 105 32.445 -32.892 11.478 1.00 2.62 C ATOM 1552 CD ARG A 105 33.966 -32.807 11.477 1.00 2.76 C ATOM 1553 NE ARG A 105 34.460 -31.626 10.766 1.00 3.19 N ATOM 1554 CZ ARG A 105 34.610 -31.559 9.444 1.00 3.86 C ATOM 1555 NH1 ARG A 105 34.274 -32.588 8.677 1.00 4.39 N ATOM 1556 NH2 ARG A 105 35.094 -30.459 8.885 1.00 4.42 N ATOM 0 H ARG A 105 29.891 -30.787 13.506 1.00 2.50 H new ATOM 0 HA ARG A 105 30.998 -33.309 13.627 1.00 2.60 H new ATOM 0 HB2 ARG A 105 30.963 -31.379 11.803 1.00 2.49 H new ATOM 0 HB3 ARG A 105 32.538 -30.995 12.470 1.00 2.49 H new ATOM 0 HG2 ARG A 105 32.136 -33.869 11.849 1.00 2.62 H new ATOM 0 HG3 ARG A 105 32.076 -32.808 10.456 1.00 2.62 H new ATOM 0 HD2 ARG A 105 34.326 -32.785 12.505 1.00 2.76 H new ATOM 0 HD3 ARG A 105 34.377 -33.704 11.014 1.00 2.76 H new ATOM 0 HE ARG A 105 34.704 -30.803 11.317 1.00 3.19 H new ATOM 0 HH11 ARG A 105 33.898 -33.437 9.099 1.00 4.39 H new ATOM 0 HH12 ARG A 105 34.391 -32.530 7.665 1.00 4.39 H new ATOM 0 HH21 ARG A 105 35.352 -29.662 9.467 1.00 4.42 H new ATOM 0 HH22 ARG A 105 35.208 -30.409 7.873 1.00 4.42 H new ATOM 1570 N GLY A 106 32.759 -31.049 15.259 1.00 2.67 N ATOM 1571 CA GLY A 106 33.826 -30.876 16.233 1.00 2.83 C ATOM 1572 C GLY A 106 33.529 -31.585 17.542 1.00 3.06 C ATOM 1573 O GLY A 106 34.435 -32.095 18.202 1.00 3.27 O ATOM 0 H GLY A 106 32.242 -30.197 15.041 1.00 2.67 H new ATOM 0 HA2 GLY A 106 34.759 -31.258 15.819 1.00 2.83 H new ATOM 0 HA3 GLY A 106 33.973 -29.813 16.423 1.00 2.83 H new ATOM 1577 N GLN A 107 32.252 -31.610 17.914 1.00 3.06 N ATOM 1578 CA GLN A 107 31.820 -32.257 19.151 1.00 3.32 C ATOM 1579 C GLN A 107 31.779 -33.774 18.982 1.00 3.48 C ATOM 1580 O GLN A 107 31.798 -34.523 19.960 1.00 3.75 O ATOM 1581 CB GLN A 107 30.439 -31.742 19.563 1.00 3.32 C ATOM 1582 CG GLN A 107 30.368 -30.229 19.707 1.00 3.59 C ATOM 1583 CD GLN A 107 31.107 -29.724 20.931 1.00 3.56 C ATOM 1584 OE1 GLN A 107 30.501 -29.440 21.963 1.00 3.65 O ATOM 1585 NE2 GLN A 107 32.426 -29.615 20.822 1.00 4.07 N ATOM 0 H GLN A 107 31.496 -31.188 17.375 1.00 3.06 H new ATOM 0 HA GLN A 107 32.540 -32.014 19.933 1.00 3.32 H new ATOM 0 HB2 GLN A 107 29.706 -32.062 18.823 1.00 3.32 H new ATOM 0 HB3 GLN A 107 30.157 -32.202 20.510 1.00 3.32 H new ATOM 0 HG2 GLN A 107 30.788 -29.763 18.816 1.00 3.59 H new ATOM 0 HG3 GLN A 107 29.324 -29.922 19.765 1.00 3.59 H new ATOM 0 HE21 GLN A 107 32.888 -29.862 19.946 1.00 4.07 H new ATOM 0 HE22 GLN A 107 32.978 -29.285 21.614 1.00 4.07 H new