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 24 LYS NZ :NH3+ 151:sc= 0.411 (180deg=-0.867) USER MOD Set 1.2: A 90 GLN :FLIP amide:sc= -2.09 F(o=-5.9!,f=-1.7) USER MOD Set 1.3: A 94 HIS : no HE2:sc= -0.0534 K(o=-1.7,f=-12!) USER MOD Set 2.1: A 74 SER OG : rot 172:sc= 0.943 USER MOD Set 2.2: A 81 LYS NZ :NH3+ -167:sc= 2.46 (180deg=0.37) USER MOD Set 2.3: A 85 GLN : amide:sc= 0.53 K(o=3.9,f=-5!) USER MOD Set 3.1: A 49 HIS :FLIP no HD1:sc= -1.37 F(o=-2.5,f=-1.8) USER MOD Set 3.2: A 50 LYS NZ :NH3+ -137:sc= -0.398! (180deg=-0.412!) USER MOD Set 4.1: A 44 ASN : amide:sc= 0.558 K(o=0.2,f=-5.1) USER MOD Set 4.2: A 47 LYS NZ :NH3+ -118:sc= -0.354 (180deg=-1.64) USER MOD Set 5.1: A 27 LYS NZ :NH3+ -151:sc= 0.234 (180deg=-1.96!) USER MOD Set 5.2: A 31 SER OG : rot -162:sc= 0.643 USER MOD Set 6.1: A 26 LYS NZ :NH3+ -125:sc= -1.03 (180deg=-2.59!) USER MOD Set 6.2: A 59 HIS : no HE2:sc= -8.26! C(o=-9.3!,f=-16!) USER MOD Set 7.1: A 10 HIS : no HD1:sc= -0.113 K(o=-0.78,f=-7!) USER MOD Set 7.2: A 11 GLN :FLIP amide:sc= -0.663! C(o=-3.4!,f=-0.78!) USER MOD Single : A 16 MET CE :methyl -161:sc= -0.991 (180deg=-1.91) USER MOD Single : A 21 SER OG : rot 71:sc= 0.686 USER MOD Single : A 32 SER OG : rot 66:sc= 0.763 USER MOD Single : A 43 GLN : amide:sc= 0.642 K(o=0.64,f=-6.3!) USER MOD Single : A 48 LYS NZ :NH3+ -169:sc= 0.311 (180deg=0.0231) USER MOD Single : A 64 GLN : amide:sc= -0.549 X(o=-0.55,f=-0.34) USER MOD Single : A 69 THR OG1 : rot 75:sc= 0.668 USER MOD Single : A 71 LYS NZ :NH3+ 170:sc= -2.31 (180deg=-2.79) USER MOD Single : A 72 LYS NZ :NH3+ -163:sc= 0.91 (180deg=0.366) USER MOD Single : A 77 ASN : amide:sc= 0.65 K(o=0.65,f=-3.5) USER MOD Single : A 78 THR OG1 : rot 81:sc= -0.245! USER MOD Single : A 86 GLN : amide:sc= -0.0207 X(o=-0.021,f=0) USER MOD Single : A 96 LYS NZ :NH3+ -174:sc= -1.12! (180deg=-1.23!) USER MOD Single : A 99 LYS NZ :NH3+ -122:sc= -2.28 (180deg=-5.97!) USER MOD Single : A 100 GLN :FLIP amide:sc= -0.212 F(o=-0.9,f=-0.21) USER MOD Single : A 107 GLN : amide:sc= -0.267 X(o=-0.27,f=-0.68) USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 10 19.311 -8.586 -13.639 1.00 1.70 N ATOM 2 CA HIS A 10 19.058 -9.990 -13.948 1.00 1.73 C ATOM 3 C HIS A 10 20.328 -10.814 -13.798 1.00 1.58 C ATOM 4 O HIS A 10 20.304 -11.914 -13.250 1.00 1.52 O ATOM 5 CB HIS A 10 18.500 -10.140 -15.365 1.00 2.04 C ATOM 6 CG HIS A 10 18.425 -11.560 -15.835 1.00 2.54 C ATOM 7 ND1 HIS A 10 19.333 -12.134 -16.698 1.00 3.19 N ATOM 8 CD2 HIS A 10 17.525 -12.533 -15.539 1.00 3.29 C ATOM 9 CE1 HIS A 10 18.964 -13.407 -16.898 1.00 4.01 C ATOM 10 NE2 HIS A 10 17.873 -13.699 -16.215 1.00 4.11 N ATOM 0 HA HIS A 10 18.317 -10.361 -13.239 1.00 1.73 H new ATOM 0 HB2 HIS A 10 17.503 -9.701 -15.402 1.00 2.04 H new ATOM 0 HB3 HIS A 10 19.124 -9.571 -16.054 1.00 2.04 H new ATOM 0 HD2 HIS A 10 16.674 -12.420 -14.883 1.00 3.29 H new ATOM 0 HE1 HIS A 10 19.490 -14.103 -17.535 1.00 4.01 H new ATOM 0 HE2 HIS A 10 17.385 -14.594 -16.188 1.00 4.11 H new ATOM 18 N GLN A 11 21.435 -10.274 -14.289 1.00 1.60 N ATOM 19 CA GLN A 11 22.716 -10.955 -14.206 1.00 1.56 C ATOM 20 C GLN A 11 23.074 -11.228 -12.753 1.00 1.29 C ATOM 21 O GLN A 11 23.312 -12.371 -12.374 1.00 1.26 O ATOM 22 CB GLN A 11 23.813 -10.124 -14.874 1.00 1.75 C ATOM 23 CG GLN A 11 23.714 -10.088 -16.394 1.00 2.28 C ATOM 24 CD GLN A 11 22.298 -9.845 -16.887 1.00 3.08 C ATOM 25 OE1 GLN A 11 21.700 -8.745 -16.447 1.00 3.64 O flip ATOM 26 NE2 GLN A 11 21.749 -10.635 -17.655 1.00 3.73 N flip ATOM 0 H GLN A 11 21.470 -9.365 -14.749 1.00 1.60 H new ATOM 0 HA GLN A 11 22.635 -11.906 -14.733 1.00 1.56 H new ATOM 0 HB2 GLN A 11 23.768 -9.104 -14.492 1.00 1.75 H new ATOM 0 HB3 GLN A 11 24.785 -10.528 -14.591 1.00 1.75 H new ATOM 0 HG2 GLN A 11 24.367 -9.304 -16.777 1.00 2.28 H new ATOM 0 HG3 GLN A 11 24.078 -11.032 -16.800 1.00 2.28 H new ATOM 0 HE21 GLN A 11 22.245 -11.469 -17.969 1.00 3.73 H new ATOM 0 HE22 GLN A 11 20.798 -10.455 -17.977 1.00 3.73 H new ATOM 35 N PHE A 12 23.099 -10.177 -11.934 1.00 1.14 N ATOM 36 CA PHE A 12 23.424 -10.336 -10.521 1.00 0.98 C ATOM 37 C PHE A 12 22.571 -11.445 -9.917 1.00 0.94 C ATOM 38 O PHE A 12 23.084 -12.334 -9.242 1.00 0.91 O ATOM 39 CB PHE A 12 23.222 -9.020 -9.761 1.00 0.98 C ATOM 40 CG PHE A 12 23.073 -9.193 -8.274 1.00 0.86 C ATOM 41 CD1 PHE A 12 24.154 -9.566 -7.486 1.00 0.83 C ATOM 42 CD2 PHE A 12 21.848 -8.985 -7.663 1.00 0.86 C ATOM 43 CE1 PHE A 12 24.010 -9.725 -6.122 1.00 0.77 C ATOM 44 CE2 PHE A 12 21.701 -9.142 -6.300 1.00 0.82 C ATOM 45 CZ PHE A 12 22.781 -9.512 -5.529 1.00 0.76 C ATOM 0 H PHE A 12 22.901 -9.219 -12.222 1.00 1.14 H new ATOM 0 HA PHE A 12 24.475 -10.612 -10.433 1.00 0.98 H new ATOM 0 HB2 PHE A 12 24.070 -8.364 -9.958 1.00 0.98 H new ATOM 0 HB3 PHE A 12 22.335 -8.520 -10.150 1.00 0.98 H new ATOM 0 HD1 PHE A 12 25.117 -9.733 -7.945 1.00 0.83 H new ATOM 0 HD2 PHE A 12 20.996 -8.696 -8.261 1.00 0.86 H new ATOM 0 HE1 PHE A 12 24.858 -10.016 -5.519 1.00 0.77 H new ATOM 0 HE2 PHE A 12 20.739 -8.975 -5.838 1.00 0.82 H new ATOM 0 HZ PHE A 12 22.667 -9.635 -4.462 1.00 0.76 H new ATOM 55 N PHE A 13 21.268 -11.406 -10.191 1.00 1.03 N ATOM 56 CA PHE A 13 20.356 -12.427 -9.688 1.00 1.16 C ATOM 57 C PHE A 13 20.873 -13.807 -10.088 1.00 1.12 C ATOM 58 O PHE A 13 21.073 -14.678 -9.243 1.00 1.08 O ATOM 59 CB PHE A 13 18.941 -12.190 -10.247 1.00 1.42 C ATOM 60 CG PHE A 13 17.862 -13.100 -9.702 1.00 1.67 C ATOM 61 CD1 PHE A 13 18.154 -14.130 -8.817 1.00 2.16 C ATOM 62 CD2 PHE A 13 16.543 -12.919 -10.091 1.00 1.91 C ATOM 63 CE1 PHE A 13 17.154 -14.952 -8.333 1.00 2.70 C ATOM 64 CE2 PHE A 13 15.541 -13.738 -9.608 1.00 2.42 C ATOM 65 CZ PHE A 13 15.848 -14.756 -8.729 1.00 2.77 C ATOM 0 H PHE A 13 20.824 -10.682 -10.756 1.00 1.03 H new ATOM 0 HA PHE A 13 20.306 -12.371 -8.601 1.00 1.16 H new ATOM 0 HB2 PHE A 13 18.658 -11.157 -10.043 1.00 1.42 H new ATOM 0 HB3 PHE A 13 18.974 -12.304 -11.331 1.00 1.42 H new ATOM 0 HD1 PHE A 13 19.175 -14.290 -8.503 1.00 2.16 H new ATOM 0 HD2 PHE A 13 16.296 -12.126 -10.782 1.00 1.91 H new ATOM 0 HE1 PHE A 13 17.396 -15.748 -7.644 1.00 2.70 H new ATOM 0 HE2 PHE A 13 14.518 -13.582 -9.918 1.00 2.42 H new ATOM 0 HZ PHE A 13 15.066 -15.399 -8.352 1.00 2.77 H new ATOM 75 N ARG A 14 21.110 -13.991 -11.384 1.00 1.21 N ATOM 76 CA ARG A 14 21.627 -15.257 -11.889 1.00 1.30 C ATOM 77 C ARG A 14 22.856 -15.678 -11.094 1.00 1.14 C ATOM 78 O ARG A 14 22.890 -16.770 -10.529 1.00 1.12 O ATOM 79 CB ARG A 14 21.964 -15.150 -13.380 1.00 1.55 C ATOM 80 CG ARG A 14 22.204 -16.496 -14.051 1.00 1.71 C ATOM 81 CD ARG A 14 21.003 -17.423 -13.912 1.00 2.48 C ATOM 82 NE ARG A 14 21.294 -18.567 -13.048 1.00 2.80 N ATOM 83 CZ ARG A 14 20.391 -19.161 -12.268 1.00 3.53 C ATOM 84 NH1 ARG A 14 19.144 -18.712 -12.218 1.00 4.35 N ATOM 85 NH2 ARG A 14 20.741 -20.206 -11.532 1.00 3.79 N ATOM 0 H ARG A 14 20.953 -13.282 -12.100 1.00 1.21 H new ATOM 0 HA ARG A 14 20.855 -16.017 -11.769 1.00 1.30 H new ATOM 0 HB2 ARG A 14 21.149 -14.639 -13.892 1.00 1.55 H new ATOM 0 HB3 ARG A 14 22.853 -14.531 -13.499 1.00 1.55 H new ATOM 0 HG2 ARG A 14 22.422 -16.341 -15.108 1.00 1.71 H new ATOM 0 HG3 ARG A 14 23.081 -16.970 -13.610 1.00 1.71 H new ATOM 0 HD2 ARG A 14 20.159 -16.866 -13.505 1.00 2.48 H new ATOM 0 HD3 ARG A 14 20.703 -17.779 -14.898 1.00 2.48 H new ATOM 0 HE ARG A 14 22.246 -18.933 -13.042 1.00 2.80 H new ATOM 0 HH11 ARG A 14 18.869 -17.906 -12.779 1.00 4.35 H new ATOM 0 HH12 ARG A 14 18.460 -19.173 -11.618 1.00 4.35 H new ATOM 0 HH21 ARG A 14 21.699 -20.554 -11.563 1.00 3.79 H new ATOM 0 HH22 ARG A 14 20.052 -20.662 -10.934 1.00 3.79 H new ATOM 99 N ASP A 15 23.858 -14.802 -11.037 1.00 1.12 N ATOM 100 CA ASP A 15 25.077 -15.096 -10.287 1.00 1.14 C ATOM 101 C ASP A 15 24.726 -15.565 -8.878 1.00 1.00 C ATOM 102 O ASP A 15 25.194 -16.607 -8.425 1.00 1.05 O ATOM 103 CB ASP A 15 25.996 -13.866 -10.211 1.00 1.29 C ATOM 104 CG ASP A 15 26.010 -13.040 -11.489 1.00 1.49 C ATOM 105 OD1 ASP A 15 25.728 -13.600 -12.570 1.00 2.10 O ATOM 106 OD2 ASP A 15 26.320 -11.831 -11.407 1.00 1.84 O ATOM 0 H ASP A 15 23.850 -13.891 -11.497 1.00 1.12 H new ATOM 0 HA ASP A 15 25.610 -15.889 -10.812 1.00 1.14 H new ATOM 0 HB2 ASP A 15 25.676 -13.234 -9.383 1.00 1.29 H new ATOM 0 HB3 ASP A 15 27.011 -14.194 -9.988 1.00 1.29 H new ATOM 111 N MET A 16 23.889 -14.791 -8.189 1.00 0.93 N ATOM 112 CA MET A 16 23.465 -15.131 -6.834 1.00 0.98 C ATOM 113 C MET A 16 22.934 -16.561 -6.796 1.00 0.88 C ATOM 114 O MET A 16 23.353 -17.375 -5.972 1.00 0.88 O ATOM 115 CB MET A 16 22.386 -14.151 -6.353 1.00 1.15 C ATOM 116 CG MET A 16 22.548 -13.722 -4.903 1.00 1.45 C ATOM 117 SD MET A 16 21.566 -14.724 -3.770 1.00 1.92 S ATOM 118 CE MET A 16 22.825 -15.799 -3.088 1.00 2.23 C ATOM 0 H MET A 16 23.491 -13.923 -8.548 1.00 0.93 H new ATOM 0 HA MET A 16 24.324 -15.057 -6.168 1.00 0.98 H new ATOM 0 HB2 MET A 16 22.404 -13.265 -6.988 1.00 1.15 H new ATOM 0 HB3 MET A 16 21.407 -14.613 -6.478 1.00 1.15 H new ATOM 0 HG2 MET A 16 23.599 -13.789 -4.623 1.00 1.45 H new ATOM 0 HG3 MET A 16 22.257 -12.676 -4.803 1.00 1.45 H new ATOM 0 HE1 MET A 16 22.353 -16.676 -2.644 1.00 2.23 H new ATOM 0 HE2 MET A 16 23.503 -16.114 -3.881 1.00 2.23 H new ATOM 0 HE3 MET A 16 23.386 -15.262 -2.323 1.00 2.23 H new ATOM 128 N ASP A 17 22.020 -16.861 -7.712 1.00 0.91 N ATOM 129 CA ASP A 17 21.438 -18.193 -7.811 1.00 0.97 C ATOM 130 C ASP A 17 22.541 -19.243 -7.915 1.00 0.88 C ATOM 131 O ASP A 17 22.625 -20.150 -7.087 1.00 0.86 O ATOM 132 CB ASP A 17 20.510 -18.273 -9.028 1.00 1.19 C ATOM 133 CG ASP A 17 19.121 -18.777 -8.679 1.00 1.80 C ATOM 134 OD1 ASP A 17 18.566 -18.331 -7.650 1.00 2.46 O ATOM 135 OD2 ASP A 17 18.587 -19.614 -9.437 1.00 2.44 O ATOM 0 H ASP A 17 21.665 -16.196 -8.399 1.00 0.91 H new ATOM 0 HA ASP A 17 20.854 -18.390 -6.912 1.00 0.97 H new ATOM 0 HB2 ASP A 17 20.429 -17.286 -9.483 1.00 1.19 H new ATOM 0 HB3 ASP A 17 20.953 -18.932 -9.774 1.00 1.19 H new ATOM 140 N ASP A 18 23.404 -19.098 -8.920 1.00 0.95 N ATOM 141 CA ASP A 18 24.516 -20.022 -9.112 1.00 1.09 C ATOM 142 C ASP A 18 25.335 -20.136 -7.830 1.00 1.01 C ATOM 143 O ASP A 18 25.819 -21.211 -7.482 1.00 1.05 O ATOM 144 CB ASP A 18 25.401 -19.551 -10.268 1.00 1.33 C ATOM 145 CG ASP A 18 24.606 -19.220 -11.520 1.00 1.90 C ATOM 146 OD1 ASP A 18 23.565 -19.871 -11.754 1.00 2.48 O ATOM 147 OD2 ASP A 18 25.024 -18.310 -12.266 1.00 2.49 O ATOM 0 H ASP A 18 23.353 -18.350 -9.612 1.00 0.95 H new ATOM 0 HA ASP A 18 24.116 -21.006 -9.358 1.00 1.09 H new ATOM 0 HB2 ASP A 18 25.961 -18.670 -9.955 1.00 1.33 H new ATOM 0 HB3 ASP A 18 26.131 -20.327 -10.501 1.00 1.33 H new ATOM 152 N GLU A 19 25.467 -19.018 -7.124 1.00 1.02 N ATOM 153 CA GLU A 19 26.200 -18.983 -5.865 1.00 1.12 C ATOM 154 C GLU A 19 25.500 -19.871 -4.840 1.00 0.89 C ATOM 155 O GLU A 19 26.071 -20.845 -4.346 1.00 0.88 O ATOM 156 CB GLU A 19 26.293 -17.547 -5.356 1.00 1.38 C ATOM 157 CG GLU A 19 27.355 -17.348 -4.294 1.00 2.04 C ATOM 158 CD GLU A 19 27.377 -15.932 -3.752 1.00 2.53 C ATOM 159 OE1 GLU A 19 26.287 -15.363 -3.534 1.00 3.02 O ATOM 160 OE2 GLU A 19 28.484 -15.393 -3.541 1.00 3.07 O ATOM 0 H GLU A 19 25.073 -18.120 -7.405 1.00 1.02 H new ATOM 0 HA GLU A 19 27.211 -19.359 -6.023 1.00 1.12 H new ATOM 0 HB2 GLU A 19 26.503 -16.885 -6.196 1.00 1.38 H new ATOM 0 HB3 GLU A 19 25.326 -17.251 -4.951 1.00 1.38 H new ATOM 0 HG2 GLU A 19 27.179 -18.045 -3.474 1.00 2.04 H new ATOM 0 HG3 GLU A 19 28.332 -17.588 -4.713 1.00 2.04 H new ATOM 167 N GLU A 20 24.241 -19.549 -4.542 1.00 0.84 N ATOM 168 CA GLU A 20 23.461 -20.354 -3.612 1.00 0.84 C ATOM 169 C GLU A 20 23.656 -21.824 -3.959 1.00 0.73 C ATOM 170 O GLU A 20 23.853 -22.666 -3.086 1.00 0.78 O ATOM 171 CB GLU A 20 21.978 -19.982 -3.690 1.00 1.03 C ATOM 172 CG GLU A 20 21.086 -20.819 -2.782 1.00 1.61 C ATOM 173 CD GLU A 20 21.156 -20.385 -1.331 1.00 1.98 C ATOM 174 OE1 GLU A 20 20.762 -19.237 -1.037 1.00 2.49 O ATOM 175 OE2 GLU A 20 21.606 -21.193 -0.491 1.00 2.50 O ATOM 0 H GLU A 20 23.747 -18.745 -4.928 1.00 0.84 H new ATOM 0 HA GLU A 20 23.800 -20.166 -2.593 1.00 0.84 H new ATOM 0 HB2 GLU A 20 21.862 -18.930 -3.428 1.00 1.03 H new ATOM 0 HB3 GLU A 20 21.639 -20.093 -4.720 1.00 1.03 H new ATOM 0 HG2 GLU A 20 20.055 -20.749 -3.128 1.00 1.61 H new ATOM 0 HG3 GLU A 20 21.378 -21.866 -2.858 1.00 1.61 H new ATOM 182 N SER A 21 23.632 -22.111 -5.260 1.00 0.75 N ATOM 183 CA SER A 21 23.844 -23.464 -5.751 1.00 0.89 C ATOM 184 C SER A 21 25.167 -23.997 -5.203 1.00 0.84 C ATOM 185 O SER A 21 25.210 -25.054 -4.578 1.00 0.91 O ATOM 186 CB SER A 21 23.843 -23.471 -7.287 1.00 1.14 C ATOM 187 OG SER A 21 25.067 -23.956 -7.812 1.00 1.59 O ATOM 0 H SER A 21 23.467 -21.420 -5.992 1.00 0.75 H new ATOM 0 HA SER A 21 23.036 -24.111 -5.410 1.00 0.89 H new ATOM 0 HB2 SER A 21 23.022 -24.091 -7.647 1.00 1.14 H new ATOM 0 HB3 SER A 21 23.665 -22.461 -7.655 1.00 1.14 H new ATOM 0 HG SER A 21 25.137 -24.919 -7.643 1.00 1.59 H new ATOM 193 N TRP A 22 26.239 -23.229 -5.418 1.00 0.91 N ATOM 194 CA TRP A 22 27.573 -23.598 -4.935 1.00 1.05 C ATOM 195 C TRP A 22 27.526 -23.952 -3.456 1.00 0.87 C ATOM 196 O TRP A 22 28.169 -24.900 -3.025 1.00 0.92 O ATOM 197 CB TRP A 22 28.565 -22.453 -5.182 1.00 1.38 C ATOM 198 CG TRP A 22 29.798 -22.481 -4.319 1.00 1.53 C ATOM 199 CD1 TRP A 22 30.984 -23.101 -4.597 1.00 2.19 C ATOM 200 CD2 TRP A 22 29.978 -21.838 -3.047 1.00 1.39 C ATOM 201 NE1 TRP A 22 31.880 -22.880 -3.577 1.00 2.16 N ATOM 202 CE2 TRP A 22 31.289 -22.102 -2.628 1.00 1.65 C ATOM 203 CE3 TRP A 22 29.161 -21.063 -2.224 1.00 1.73 C ATOM 204 CZ2 TRP A 22 31.802 -21.614 -1.438 1.00 1.79 C ATOM 205 CZ3 TRP A 22 29.670 -20.580 -1.040 1.00 2.24 C ATOM 206 CH2 TRP A 22 30.981 -20.852 -0.658 1.00 2.11 C ATOM 0 H TRP A 22 26.209 -22.345 -5.925 1.00 0.91 H new ATOM 0 HA TRP A 22 27.911 -24.475 -5.487 1.00 1.05 H new ATOM 0 HB2 TRP A 22 28.871 -22.477 -6.228 1.00 1.38 H new ATOM 0 HB3 TRP A 22 28.050 -21.506 -5.023 1.00 1.38 H new ATOM 0 HD1 TRP A 22 31.188 -23.679 -5.486 1.00 2.19 H new ATOM 0 HE1 TRP A 22 32.833 -23.241 -3.538 1.00 2.16 H new ATOM 0 HE3 TRP A 22 28.143 -20.845 -2.512 1.00 1.73 H new ATOM 0 HZ2 TRP A 22 32.817 -21.829 -1.137 1.00 1.79 H new ATOM 0 HZ3 TRP A 22 29.043 -19.981 -0.397 1.00 2.24 H new ATOM 0 HH2 TRP A 22 31.355 -20.453 0.273 1.00 2.11 H new ATOM 217 N ILE A 23 26.766 -23.181 -2.681 1.00 0.80 N ATOM 218 CA ILE A 23 26.638 -23.446 -1.252 1.00 0.90 C ATOM 219 C ILE A 23 26.124 -24.867 -1.030 1.00 0.87 C ATOM 220 O ILE A 23 26.696 -25.635 -0.253 1.00 0.95 O ATOM 221 CB ILE A 23 25.717 -22.409 -0.551 1.00 1.16 C ATOM 222 CG1 ILE A 23 26.462 -21.741 0.610 1.00 1.34 C ATOM 223 CG2 ILE A 23 24.421 -23.043 -0.052 1.00 1.46 C ATOM 224 CD1 ILE A 23 26.739 -22.670 1.773 1.00 1.92 C ATOM 0 H ILE A 23 26.235 -22.376 -3.015 1.00 0.80 H new ATOM 0 HA ILE A 23 27.626 -23.350 -0.802 1.00 0.90 H new ATOM 0 HB ILE A 23 25.449 -21.654 -1.290 1.00 1.16 H new ATOM 0 HG12 ILE A 23 27.408 -21.343 0.242 1.00 1.34 H new ATOM 0 HG13 ILE A 23 25.876 -20.893 0.966 1.00 1.34 H new ATOM 0 HG21 ILE A 23 23.807 -22.283 0.431 1.00 1.46 H new ATOM 0 HG22 ILE A 23 23.876 -23.468 -0.895 1.00 1.46 H new ATOM 0 HG23 ILE A 23 24.654 -23.831 0.664 1.00 1.46 H new ATOM 0 HD11 ILE A 23 27.269 -22.126 2.555 1.00 1.92 H new ATOM 0 HD12 ILE A 23 25.797 -23.049 2.169 1.00 1.92 H new ATOM 0 HD13 ILE A 23 27.352 -23.505 1.434 1.00 1.92 H new ATOM 236 N LYS A 24 25.058 -25.223 -1.741 1.00 0.92 N ATOM 237 CA LYS A 24 24.484 -26.561 -1.639 1.00 1.18 C ATOM 238 C LYS A 24 25.524 -27.603 -2.043 1.00 1.21 C ATOM 239 O LYS A 24 25.710 -28.614 -1.362 1.00 1.38 O ATOM 240 CB LYS A 24 23.241 -26.686 -2.531 1.00 1.40 C ATOM 241 CG LYS A 24 22.279 -25.506 -2.426 1.00 2.00 C ATOM 242 CD LYS A 24 21.088 -25.822 -1.533 1.00 2.68 C ATOM 243 CE LYS A 24 19.955 -24.826 -1.736 1.00 3.24 C ATOM 244 NZ LYS A 24 20.236 -23.517 -1.082 1.00 3.58 N ATOM 0 H LYS A 24 24.575 -24.605 -2.393 1.00 0.92 H new ATOM 0 HA LYS A 24 24.185 -26.734 -0.605 1.00 1.18 H new ATOM 0 HB2 LYS A 24 23.560 -26.790 -3.568 1.00 1.40 H new ATOM 0 HB3 LYS A 24 22.708 -27.600 -2.268 1.00 1.40 H new ATOM 0 HG2 LYS A 24 22.809 -24.640 -2.031 1.00 2.00 H new ATOM 0 HG3 LYS A 24 21.925 -25.237 -3.421 1.00 2.00 H new ATOM 0 HD2 LYS A 24 20.730 -26.829 -1.746 1.00 2.68 H new ATOM 0 HD3 LYS A 24 21.402 -25.809 -0.489 1.00 2.68 H new ATOM 0 HE2 LYS A 24 19.796 -24.671 -2.803 1.00 3.24 H new ATOM 0 HE3 LYS A 24 19.031 -25.241 -1.333 1.00 3.24 H new ATOM 0 HZ1 LYS A 24 19.755 -22.757 -1.604 1.00 3.58 H new ATOM 0 HZ2 LYS A 24 19.889 -23.537 -0.102 1.00 3.58 H new ATOM 0 HZ3 LYS A 24 21.261 -23.342 -1.083 1.00 3.58 H new ATOM 258 N GLU A 25 26.212 -27.333 -3.149 1.00 1.18 N ATOM 259 CA GLU A 25 27.250 -28.225 -3.651 1.00 1.40 C ATOM 260 C GLU A 25 28.372 -28.359 -2.629 1.00 1.37 C ATOM 261 O GLU A 25 28.937 -29.436 -2.444 1.00 1.59 O ATOM 262 CB GLU A 25 27.804 -27.695 -4.978 1.00 1.58 C ATOM 263 CG GLU A 25 27.025 -28.171 -6.194 1.00 2.34 C ATOM 264 CD GLU A 25 25.595 -27.667 -6.200 1.00 2.86 C ATOM 265 OE1 GLU A 25 24.744 -28.280 -5.519 1.00 3.45 O ATOM 266 OE2 GLU A 25 25.326 -26.658 -6.882 1.00 3.26 O ATOM 0 H GLU A 25 26.067 -26.498 -3.717 1.00 1.18 H new ATOM 0 HA GLU A 25 26.813 -29.209 -3.820 1.00 1.40 H new ATOM 0 HB2 GLU A 25 27.797 -26.605 -4.956 1.00 1.58 H new ATOM 0 HB3 GLU A 25 28.844 -28.005 -5.078 1.00 1.58 H new ATOM 0 HG2 GLU A 25 27.530 -27.834 -7.100 1.00 2.34 H new ATOM 0 HG3 GLU A 25 27.023 -29.261 -6.217 1.00 2.34 H new ATOM 273 N LYS A 26 28.675 -27.253 -1.958 1.00 1.19 N ATOM 274 CA LYS A 26 29.711 -27.231 -0.938 1.00 1.29 C ATOM 275 C LYS A 26 29.325 -28.185 0.192 1.00 1.31 C ATOM 276 O LYS A 26 30.071 -29.106 0.525 1.00 1.49 O ATOM 277 CB LYS A 26 29.911 -25.797 -0.415 1.00 1.34 C ATOM 278 CG LYS A 26 30.316 -25.714 1.052 1.00 1.63 C ATOM 279 CD LYS A 26 31.625 -26.447 1.321 1.00 2.01 C ATOM 280 CE LYS A 26 31.991 -26.415 2.798 1.00 2.27 C ATOM 281 NZ LYS A 26 33.004 -25.366 3.089 1.00 2.77 N ATOM 0 H LYS A 26 28.213 -26.356 -2.105 1.00 1.19 H new ATOM 0 HA LYS A 26 30.657 -27.562 -1.366 1.00 1.29 H new ATOM 0 HB2 LYS A 26 30.674 -25.306 -1.019 1.00 1.34 H new ATOM 0 HB3 LYS A 26 28.985 -25.239 -0.556 1.00 1.34 H new ATOM 0 HG2 LYS A 26 30.419 -24.668 1.342 1.00 1.63 H new ATOM 0 HG3 LYS A 26 29.527 -26.140 1.671 1.00 1.63 H new ATOM 0 HD2 LYS A 26 31.538 -27.482 0.989 1.00 2.01 H new ATOM 0 HD3 LYS A 26 32.425 -25.991 0.737 1.00 2.01 H new ATOM 0 HE2 LYS A 26 31.095 -26.231 3.391 1.00 2.27 H new ATOM 0 HE3 LYS A 26 32.378 -27.389 3.099 1.00 2.27 H new ATOM 0 HZ1 LYS A 26 33.822 -25.796 3.566 1.00 2.77 H new ATOM 0 HZ2 LYS A 26 33.314 -24.926 2.199 1.00 2.77 H new ATOM 0 HZ3 LYS A 26 32.585 -24.641 3.706 1.00 2.77 H new ATOM 295 N LYS A 27 28.138 -27.976 0.758 1.00 1.25 N ATOM 296 CA LYS A 27 27.647 -28.834 1.831 1.00 1.48 C ATOM 297 C LYS A 27 27.714 -30.302 1.407 1.00 1.65 C ATOM 298 O LYS A 27 28.095 -31.173 2.190 1.00 1.84 O ATOM 299 CB LYS A 27 26.208 -28.456 2.197 1.00 1.61 C ATOM 300 CG LYS A 27 25.839 -28.759 3.645 1.00 2.10 C ATOM 301 CD LYS A 27 24.913 -29.963 3.757 1.00 2.50 C ATOM 302 CE LYS A 27 25.672 -31.236 4.109 1.00 3.05 C ATOM 303 NZ LYS A 27 25.579 -32.256 3.029 1.00 3.62 N ATOM 0 H LYS A 27 27.502 -27.224 0.492 1.00 1.25 H new ATOM 0 HA LYS A 27 28.280 -28.692 2.707 1.00 1.48 H new ATOM 0 HB2 LYS A 27 26.064 -27.392 2.011 1.00 1.61 H new ATOM 0 HB3 LYS A 27 25.524 -28.991 1.538 1.00 1.61 H new ATOM 0 HG2 LYS A 27 26.747 -28.945 4.219 1.00 2.10 H new ATOM 0 HG3 LYS A 27 25.356 -27.887 4.086 1.00 2.10 H new ATOM 0 HD2 LYS A 27 24.157 -29.769 4.518 1.00 2.50 H new ATOM 0 HD3 LYS A 27 24.386 -30.104 2.813 1.00 2.50 H new ATOM 0 HE2 LYS A 27 26.719 -30.995 4.291 1.00 3.05 H new ATOM 0 HE3 LYS A 27 25.274 -31.651 5.035 1.00 3.05 H new ATOM 0 HZ1 LYS A 27 25.648 -33.207 3.443 1.00 3.62 H new ATOM 0 HZ2 LYS A 27 24.668 -32.158 2.536 1.00 3.62 H new ATOM 0 HZ3 LYS A 27 26.356 -32.116 2.352 1.00 3.62 H new ATOM 317 N LEU A 28 27.338 -30.567 0.156 1.00 1.65 N ATOM 318 CA LEU A 28 27.356 -31.925 -0.382 1.00 1.92 C ATOM 319 C LEU A 28 28.749 -32.536 -0.266 1.00 1.96 C ATOM 320 O LEU A 28 28.896 -33.686 0.146 1.00 2.16 O ATOM 321 CB LEU A 28 26.896 -31.923 -1.847 1.00 2.05 C ATOM 322 CG LEU A 28 27.434 -33.070 -2.712 1.00 2.51 C ATOM 323 CD1 LEU A 28 26.801 -34.394 -2.305 1.00 3.19 C ATOM 324 CD2 LEU A 28 27.182 -32.788 -4.187 1.00 2.78 C ATOM 0 H LEU A 28 27.017 -29.858 -0.503 1.00 1.65 H new ATOM 0 HA LEU A 28 26.666 -32.534 0.203 1.00 1.92 H new ATOM 0 HB2 LEU A 28 25.807 -31.957 -1.867 1.00 2.05 H new ATOM 0 HB3 LEU A 28 27.194 -30.978 -2.302 1.00 2.05 H new ATOM 0 HG LEU A 28 28.510 -33.143 -2.553 1.00 2.51 H new ATOM 0 HD11 LEU A 28 27.196 -35.194 -2.931 1.00 3.19 H new ATOM 0 HD12 LEU A 28 27.033 -34.602 -1.260 1.00 3.19 H new ATOM 0 HD13 LEU A 28 25.720 -34.335 -2.432 1.00 3.19 H new ATOM 0 HD21 LEU A 28 27.570 -33.612 -4.786 1.00 2.78 H new ATOM 0 HD22 LEU A 28 26.111 -32.686 -4.360 1.00 2.78 H new ATOM 0 HD23 LEU A 28 27.685 -31.864 -4.472 1.00 2.78 H new ATOM 336 N LEU A 29 29.773 -31.762 -0.627 1.00 1.84 N ATOM 337 CA LEU A 29 31.150 -32.246 -0.552 1.00 2.00 C ATOM 338 C LEU A 29 31.454 -32.735 0.856 1.00 2.03 C ATOM 339 O LEU A 29 31.966 -33.838 1.048 1.00 2.24 O ATOM 340 CB LEU A 29 32.144 -31.149 -0.952 1.00 2.00 C ATOM 341 CG LEU A 29 32.020 -30.653 -2.397 1.00 2.43 C ATOM 342 CD1 LEU A 29 32.894 -29.426 -2.618 1.00 3.02 C ATOM 343 CD2 LEU A 29 32.390 -31.760 -3.376 1.00 3.08 C ATOM 0 H LEU A 29 29.676 -30.807 -0.971 1.00 1.84 H new ATOM 0 HA LEU A 29 31.257 -33.074 -1.253 1.00 2.00 H new ATOM 0 HB2 LEU A 29 32.014 -30.300 -0.281 1.00 2.00 H new ATOM 0 HB3 LEU A 29 33.156 -31.524 -0.799 1.00 2.00 H new ATOM 0 HG LEU A 29 30.983 -30.371 -2.576 1.00 2.43 H new ATOM 0 HD11 LEU A 29 32.793 -29.088 -3.649 1.00 3.02 H new ATOM 0 HD12 LEU A 29 32.581 -28.630 -1.943 1.00 3.02 H new ATOM 0 HD13 LEU A 29 33.935 -29.681 -2.420 1.00 3.02 H new ATOM 0 HD21 LEU A 29 32.296 -31.389 -4.397 1.00 3.08 H new ATOM 0 HD22 LEU A 29 33.418 -32.075 -3.198 1.00 3.08 H new ATOM 0 HD23 LEU A 29 31.721 -32.609 -3.235 1.00 3.08 H new ATOM 355 N VAL A 30 31.118 -31.907 1.840 1.00 1.90 N ATOM 356 CA VAL A 30 31.337 -32.247 3.240 1.00 2.05 C ATOM 357 C VAL A 30 30.685 -33.584 3.576 1.00 2.27 C ATOM 358 O VAL A 30 31.216 -34.368 4.365 1.00 2.48 O ATOM 359 CB VAL A 30 30.771 -31.156 4.175 1.00 2.03 C ATOM 360 CG1 VAL A 30 31.021 -31.509 5.635 1.00 2.35 C ATOM 361 CG2 VAL A 30 31.364 -29.796 3.829 1.00 2.26 C ATOM 0 H VAL A 30 30.691 -30.992 1.692 1.00 1.90 H new ATOM 0 HA VAL A 30 32.414 -32.319 3.394 1.00 2.05 H new ATOM 0 HB VAL A 30 29.692 -31.103 4.027 1.00 2.03 H new ATOM 0 HG11 VAL A 30 30.613 -30.725 6.274 1.00 2.35 H new ATOM 0 HG12 VAL A 30 30.536 -32.457 5.868 1.00 2.35 H new ATOM 0 HG13 VAL A 30 32.093 -31.598 5.809 1.00 2.35 H new ATOM 0 HG21 VAL A 30 30.954 -29.039 4.498 1.00 2.26 H new ATOM 0 HG22 VAL A 30 32.447 -29.832 3.943 1.00 2.26 H new ATOM 0 HG23 VAL A 30 31.116 -29.542 2.798 1.00 2.26 H new ATOM 371 N SER A 31 29.527 -33.828 2.974 1.00 2.30 N ATOM 372 CA SER A 31 28.783 -35.061 3.199 1.00 2.61 C ATOM 373 C SER A 31 29.430 -36.242 2.476 1.00 2.74 C ATOM 374 O SER A 31 29.234 -37.393 2.860 1.00 3.01 O ATOM 375 CB SER A 31 27.335 -34.891 2.728 1.00 2.70 C ATOM 376 OG SER A 31 26.434 -34.917 3.822 1.00 2.71 O ATOM 0 H SER A 31 29.081 -33.183 2.322 1.00 2.30 H new ATOM 0 HA SER A 31 28.796 -35.272 4.268 1.00 2.61 H new ATOM 0 HB2 SER A 31 27.233 -33.948 2.191 1.00 2.70 H new ATOM 0 HB3 SER A 31 27.082 -35.686 2.026 1.00 2.70 H new ATOM 0 HG SER A 31 25.527 -35.094 3.495 1.00 2.71 H new ATOM 382 N SER A 32 30.185 -35.949 1.421 1.00 2.63 N ATOM 383 CA SER A 32 30.846 -36.991 0.635 1.00 2.85 C ATOM 384 C SER A 32 32.146 -37.466 1.288 1.00 2.93 C ATOM 385 O SER A 32 32.431 -38.664 1.320 1.00 3.19 O ATOM 386 CB SER A 32 31.135 -36.483 -0.779 1.00 2.84 C ATOM 387 OG SER A 32 29.987 -35.878 -1.348 1.00 3.16 O ATOM 0 H SER A 32 30.355 -35.000 1.089 1.00 2.63 H new ATOM 0 HA SER A 32 30.166 -37.842 0.589 1.00 2.85 H new ATOM 0 HB2 SER A 32 31.953 -35.763 -0.750 1.00 2.84 H new ATOM 0 HB3 SER A 32 31.462 -37.312 -1.407 1.00 2.84 H new ATOM 0 HG SER A 32 29.760 -35.069 -0.844 1.00 3.16 H new ATOM 393 N GLU A 33 32.945 -36.516 1.770 1.00 2.79 N ATOM 394 CA GLU A 33 34.237 -36.824 2.388 1.00 2.95 C ATOM 395 C GLU A 33 34.089 -37.348 3.821 1.00 3.13 C ATOM 396 O GLU A 33 34.758 -36.865 4.736 1.00 3.53 O ATOM 397 CB GLU A 33 35.127 -35.574 2.378 1.00 3.57 C ATOM 398 CG GLU A 33 34.548 -34.404 3.162 1.00 3.89 C ATOM 399 CD GLU A 33 35.375 -33.140 3.033 1.00 3.97 C ATOM 400 OE1 GLU A 33 36.551 -33.151 3.461 1.00 4.15 O ATOM 401 OE2 GLU A 33 34.848 -32.136 2.513 1.00 4.37 O ATOM 0 H GLU A 33 32.720 -35.521 1.745 1.00 2.79 H new ATOM 0 HA GLU A 33 34.700 -37.617 1.800 1.00 2.95 H new ATOM 0 HB2 GLU A 33 36.102 -35.830 2.792 1.00 3.57 H new ATOM 0 HB3 GLU A 33 35.290 -35.263 1.346 1.00 3.57 H new ATOM 0 HG2 GLU A 33 33.534 -34.206 2.814 1.00 3.89 H new ATOM 0 HG3 GLU A 33 34.475 -34.679 4.214 1.00 3.89 H new ATOM 540 N GLN A 43 38.685 -40.429 12.223 1.00 3.28 N ATOM 541 CA GLN A 43 39.766 -39.591 11.720 1.00 3.01 C ATOM 542 C GLN A 43 39.289 -38.771 10.526 1.00 2.82 C ATOM 543 O GLN A 43 39.829 -37.703 10.239 1.00 2.61 O ATOM 544 CB GLN A 43 40.969 -40.450 11.317 1.00 3.07 C ATOM 545 CG GLN A 43 41.673 -41.110 12.493 1.00 3.47 C ATOM 546 CD GLN A 43 42.166 -40.104 13.516 1.00 3.77 C ATOM 547 OE1 GLN A 43 43.189 -39.449 13.317 1.00 4.06 O ATOM 548 NE2 GLN A 43 41.437 -39.975 14.618 1.00 4.24 N ATOM 0 HA GLN A 43 40.072 -38.912 12.516 1.00 3.01 H new ATOM 0 HB2 GLN A 43 40.636 -41.223 10.624 1.00 3.07 H new ATOM 0 HB3 GLN A 43 41.685 -39.828 10.780 1.00 3.07 H new ATOM 0 HG2 GLN A 43 40.989 -41.808 12.976 1.00 3.47 H new ATOM 0 HG3 GLN A 43 42.518 -41.693 12.126 1.00 3.47 H new ATOM 0 HE21 GLN A 43 40.596 -40.538 14.742 1.00 4.24 H new ATOM 0 HE22 GLN A 43 41.718 -39.313 15.341 1.00 4.24 H new ATOM 557 N ASN A 44 38.270 -39.281 9.837 1.00 2.97 N ATOM 558 CA ASN A 44 37.711 -38.597 8.677 1.00 2.93 C ATOM 559 C ASN A 44 36.976 -37.336 9.115 1.00 2.82 C ATOM 560 O ASN A 44 37.098 -36.290 8.490 1.00 2.66 O ATOM 561 CB ASN A 44 36.765 -39.517 7.901 1.00 3.26 C ATOM 562 CG ASN A 44 36.624 -39.110 6.446 1.00 3.37 C ATOM 563 OD1 ASN A 44 37.051 -38.026 6.048 1.00 3.42 O ATOM 564 ND2 ASN A 44 36.020 -39.977 5.643 1.00 3.83 N ATOM 0 H ASN A 44 37.816 -40.166 10.063 1.00 2.97 H new ATOM 0 HA ASN A 44 38.533 -38.319 8.017 1.00 2.93 H new ATOM 0 HB2 ASN A 44 37.134 -40.541 7.954 1.00 3.26 H new ATOM 0 HB3 ASN A 44 35.783 -39.507 8.375 1.00 3.26 H new ATOM 0 HD21 ASN A 44 35.895 -39.756 4.655 1.00 3.83 H new ATOM 0 HD22 ASN A 44 35.681 -40.865 6.014 1.00 3.83 H new ATOM 571 N LEU A 45 36.228 -37.432 10.208 1.00 3.00 N ATOM 572 CA LEU A 45 35.505 -36.277 10.725 1.00 3.01 C ATOM 573 C LEU A 45 36.501 -35.197 11.128 1.00 2.73 C ATOM 574 O LEU A 45 36.379 -34.038 10.728 1.00 2.57 O ATOM 575 CB LEU A 45 34.636 -36.669 11.924 1.00 3.36 C ATOM 576 CG LEU A 45 33.556 -37.715 11.628 1.00 3.84 C ATOM 577 CD1 LEU A 45 33.148 -38.440 12.904 1.00 4.27 C ATOM 578 CD2 LEU A 45 32.346 -37.063 10.972 1.00 4.23 C ATOM 0 H LEU A 45 36.107 -38.289 10.748 1.00 3.00 H new ATOM 0 HA LEU A 45 34.848 -35.894 9.944 1.00 3.01 H new ATOM 0 HB2 LEU A 45 35.284 -37.051 12.713 1.00 3.36 H new ATOM 0 HB3 LEU A 45 34.154 -35.772 12.313 1.00 3.36 H new ATOM 0 HG LEU A 45 33.969 -38.448 10.935 1.00 3.84 H new ATOM 0 HD11 LEU A 45 32.380 -39.179 12.673 1.00 4.27 H new ATOM 0 HD12 LEU A 45 34.017 -38.941 13.332 1.00 4.27 H new ATOM 0 HD13 LEU A 45 32.755 -37.720 13.622 1.00 4.27 H new ATOM 0 HD21 LEU A 45 31.590 -37.821 10.769 1.00 4.23 H new ATOM 0 HD22 LEU A 45 31.933 -36.308 11.640 1.00 4.23 H new ATOM 0 HD23 LEU A 45 32.649 -36.593 10.036 1.00 4.23 H new ATOM 590 N ARG A 46 37.500 -35.594 11.913 1.00 2.73 N ATOM 591 CA ARG A 46 38.536 -34.672 12.365 1.00 2.59 C ATOM 592 C ARG A 46 39.226 -34.005 11.176 1.00 2.28 C ATOM 593 O ARG A 46 39.444 -32.792 11.174 1.00 2.17 O ATOM 594 CB ARG A 46 39.561 -35.417 13.227 1.00 2.76 C ATOM 595 CG ARG A 46 40.644 -34.520 13.821 1.00 2.97 C ATOM 596 CD ARG A 46 41.771 -34.244 12.832 1.00 3.51 C ATOM 597 NE ARG A 46 41.990 -35.357 11.910 1.00 4.06 N ATOM 598 CZ ARG A 46 42.596 -36.493 12.247 1.00 4.80 C ATOM 599 NH1 ARG A 46 43.046 -36.669 13.483 1.00 5.15 N ATOM 600 NH2 ARG A 46 42.749 -37.456 11.350 1.00 5.49 N ATOM 0 H ARG A 46 37.613 -36.550 12.249 1.00 2.73 H new ATOM 0 HA ARG A 46 38.067 -33.893 12.966 1.00 2.59 H new ATOM 0 HB2 ARG A 46 39.038 -35.923 14.038 1.00 2.76 H new ATOM 0 HB3 ARG A 46 40.035 -36.190 12.622 1.00 2.76 H new ATOM 0 HG2 ARG A 46 40.199 -33.576 14.135 1.00 2.97 H new ATOM 0 HG3 ARG A 46 41.054 -34.991 14.714 1.00 2.97 H new ATOM 0 HD2 ARG A 46 41.538 -33.344 12.262 1.00 3.51 H new ATOM 0 HD3 ARG A 46 42.691 -34.044 13.381 1.00 3.51 H new ATOM 0 HE ARG A 46 41.658 -35.257 10.951 1.00 4.06 H new ATOM 0 HH11 ARG A 46 42.928 -35.932 14.178 1.00 5.15 H new ATOM 0 HH12 ARG A 46 43.510 -37.541 13.738 1.00 5.15 H new ATOM 0 HH21 ARG A 46 42.402 -37.327 10.399 1.00 5.49 H new ATOM 0 HH22 ARG A 46 43.214 -38.326 11.610 1.00 5.49 H new ATOM 614 N LYS A 47 39.569 -34.801 10.162 1.00 2.24 N ATOM 615 CA LYS A 47 40.233 -34.269 8.974 1.00 2.12 C ATOM 616 C LYS A 47 39.296 -33.329 8.224 1.00 2.02 C ATOM 617 O LYS A 47 39.722 -32.295 7.707 1.00 1.89 O ATOM 618 CB LYS A 47 40.723 -35.407 8.059 1.00 2.32 C ATOM 619 CG LYS A 47 39.679 -35.929 7.079 1.00 2.70 C ATOM 620 CD LYS A 47 39.833 -35.315 5.695 1.00 3.12 C ATOM 621 CE LYS A 47 38.681 -35.709 4.779 1.00 3.66 C ATOM 622 NZ LYS A 47 37.354 -35.324 5.341 1.00 4.30 N ATOM 0 H LYS A 47 39.400 -35.807 10.140 1.00 2.24 H new ATOM 0 HA LYS A 47 41.108 -33.702 9.292 1.00 2.12 H new ATOM 0 HB2 LYS A 47 41.587 -35.055 7.495 1.00 2.32 H new ATOM 0 HB3 LYS A 47 41.064 -36.235 8.681 1.00 2.32 H new ATOM 0 HG2 LYS A 47 39.762 -37.013 7.005 1.00 2.70 H new ATOM 0 HG3 LYS A 47 38.682 -35.711 7.462 1.00 2.70 H new ATOM 0 HD2 LYS A 47 39.877 -34.229 5.780 1.00 3.12 H new ATOM 0 HD3 LYS A 47 40.776 -35.638 5.255 1.00 3.12 H new ATOM 0 HE2 LYS A 47 38.813 -35.233 3.807 1.00 3.66 H new ATOM 0 HE3 LYS A 47 38.704 -36.786 4.613 1.00 3.66 H new ATOM 0 HZ1 LYS A 47 36.783 -36.179 5.500 1.00 4.30 H new ATOM 0 HZ2 LYS A 47 37.491 -34.826 6.244 1.00 4.30 H new ATOM 0 HZ3 LYS A 47 36.862 -34.698 4.672 1.00 4.30 H new ATOM 636 N LYS A 48 38.014 -33.680 8.190 1.00 2.17 N ATOM 637 CA LYS A 48 37.019 -32.853 7.523 1.00 2.20 C ATOM 638 C LYS A 48 36.971 -31.480 8.171 1.00 2.02 C ATOM 639 O LYS A 48 37.018 -30.463 7.486 1.00 1.90 O ATOM 640 CB LYS A 48 35.634 -33.507 7.583 1.00 2.54 C ATOM 641 CG LYS A 48 34.700 -33.062 6.467 1.00 3.02 C ATOM 642 CD LYS A 48 34.182 -31.646 6.688 1.00 3.19 C ATOM 643 CE LYS A 48 34.226 -30.822 5.407 1.00 3.73 C ATOM 644 NZ LYS A 48 35.620 -30.568 4.948 1.00 4.17 N ATOM 0 H LYS A 48 37.642 -34.529 8.616 1.00 2.17 H new ATOM 0 HA LYS A 48 37.304 -32.750 6.476 1.00 2.20 H new ATOM 0 HB2 LYS A 48 35.751 -34.590 7.537 1.00 2.54 H new ATOM 0 HB3 LYS A 48 35.174 -33.276 8.544 1.00 2.54 H new ATOM 0 HG2 LYS A 48 35.225 -33.111 5.513 1.00 3.02 H new ATOM 0 HG3 LYS A 48 33.857 -33.751 6.403 1.00 3.02 H new ATOM 0 HD2 LYS A 48 33.158 -31.687 7.059 1.00 3.19 H new ATOM 0 HD3 LYS A 48 34.780 -31.156 7.456 1.00 3.19 H new ATOM 0 HE2 LYS A 48 33.677 -31.343 4.623 1.00 3.73 H new ATOM 0 HE3 LYS A 48 33.721 -29.870 5.572 1.00 3.73 H new ATOM 0 HZ1 LYS A 48 35.612 -29.856 4.190 1.00 4.17 H new ATOM 0 HZ2 LYS A 48 36.190 -30.218 5.745 1.00 4.17 H new ATOM 0 HZ3 LYS A 48 36.034 -31.452 4.589 1.00 4.17 H new ATOM 658 N HIS A 49 36.878 -31.460 9.499 1.00 2.10 N ATOM 659 CA HIS A 49 36.824 -30.210 10.245 1.00 2.10 C ATOM 660 C HIS A 49 37.947 -29.274 9.803 1.00 1.82 C ATOM 661 O HIS A 49 37.696 -28.138 9.400 1.00 1.72 O ATOM 662 CB HIS A 49 36.922 -30.480 11.751 1.00 2.37 C ATOM 663 CG HIS A 49 37.064 -29.239 12.579 1.00 2.66 C ATOM 664 ND1 HIS A 49 37.907 -28.967 13.608 1.00 2.97 N flip ATOM 665 CD2 HIS A 49 36.305 -28.103 12.401 1.00 3.22 C flip ATOM 666 CE1 HIS A 49 37.675 -27.672 14.061 1.00 3.47 C flip ATOM 667 NE2 HIS A 49 36.703 -27.197 13.304 1.00 3.60 N flip ATOM 0 H HIS A 49 36.839 -32.298 10.079 1.00 2.10 H new ATOM 0 HA HIS A 49 35.868 -29.728 10.038 1.00 2.10 H new ATOM 0 HB2 HIS A 49 36.032 -31.020 12.073 1.00 2.37 H new ATOM 0 HB3 HIS A 49 37.776 -31.131 11.939 1.00 2.37 H new ATOM 0 HD2 HIS A 49 35.527 -27.967 11.664 1.00 3.22 H new ATOM 0 HE1 HIS A 49 38.184 -27.161 14.865 1.00 3.47 H new ATOM 0 HE2 HIS A 49 36.307 -26.262 13.395 1.00 3.60 H new ATOM 675 N LYS A 50 39.185 -29.761 9.875 1.00 1.76 N ATOM 676 CA LYS A 50 40.343 -28.965 9.475 1.00 1.67 C ATOM 677 C LYS A 50 40.129 -28.353 8.096 1.00 1.49 C ATOM 678 O LYS A 50 40.331 -27.154 7.900 1.00 1.46 O ATOM 679 CB LYS A 50 41.612 -29.824 9.476 1.00 1.79 C ATOM 680 CG LYS A 50 41.945 -30.431 10.833 1.00 2.13 C ATOM 681 CD LYS A 50 42.259 -29.361 11.870 1.00 2.64 C ATOM 682 CE LYS A 50 41.135 -29.211 12.887 1.00 3.07 C ATOM 683 NZ LYS A 50 40.807 -27.783 13.156 1.00 3.17 N ATOM 0 H LYS A 50 39.411 -30.699 10.205 1.00 1.76 H new ATOM 0 HA LYS A 50 40.463 -28.158 10.198 1.00 1.67 H new ATOM 0 HB2 LYS A 50 41.496 -30.627 8.748 1.00 1.79 H new ATOM 0 HB3 LYS A 50 42.453 -29.214 9.146 1.00 1.79 H new ATOM 0 HG2 LYS A 50 41.105 -31.035 11.177 1.00 2.13 H new ATOM 0 HG3 LYS A 50 42.799 -31.101 10.732 1.00 2.13 H new ATOM 0 HD2 LYS A 50 43.185 -29.616 12.386 1.00 2.64 H new ATOM 0 HD3 LYS A 50 42.426 -28.407 11.369 1.00 2.64 H new ATOM 0 HE2 LYS A 50 40.245 -29.724 12.521 1.00 3.07 H new ATOM 0 HE3 LYS A 50 41.423 -29.698 13.819 1.00 3.07 H new ATOM 0 HZ1 LYS A 50 40.673 -27.644 14.178 1.00 3.17 H new ATOM 0 HZ2 LYS A 50 41.586 -27.179 12.824 1.00 3.17 H new ATOM 0 HZ3 LYS A 50 39.933 -27.527 12.654 1.00 3.17 H new ATOM 697 N ARG A 51 39.710 -29.180 7.145 1.00 1.50 N ATOM 698 CA ARG A 51 39.463 -28.713 5.786 1.00 1.50 C ATOM 699 C ARG A 51 38.301 -27.726 5.766 1.00 1.38 C ATOM 700 O ARG A 51 38.268 -26.809 4.949 1.00 1.27 O ATOM 701 CB ARG A 51 39.169 -29.893 4.856 1.00 1.77 C ATOM 702 CG ARG A 51 39.569 -29.642 3.409 1.00 2.17 C ATOM 703 CD ARG A 51 38.834 -30.569 2.451 1.00 2.52 C ATOM 704 NE ARG A 51 37.576 -29.989 1.984 1.00 2.87 N ATOM 705 CZ ARG A 51 36.769 -30.579 1.106 1.00 3.47 C ATOM 706 NH1 ARG A 51 37.084 -31.766 0.605 1.00 4.13 N ATOM 707 NH2 ARG A 51 35.645 -29.984 0.732 1.00 3.79 N ATOM 0 H ARG A 51 39.535 -30.174 7.289 1.00 1.50 H new ATOM 0 HA ARG A 51 40.360 -28.206 5.430 1.00 1.50 H new ATOM 0 HB2 ARG A 51 39.696 -30.774 5.222 1.00 1.77 H new ATOM 0 HB3 ARG A 51 38.104 -30.120 4.896 1.00 1.77 H new ATOM 0 HG2 ARG A 51 39.356 -28.606 3.147 1.00 2.17 H new ATOM 0 HG3 ARG A 51 40.644 -29.784 3.299 1.00 2.17 H new ATOM 0 HD2 ARG A 51 39.473 -30.786 1.595 1.00 2.52 H new ATOM 0 HD3 ARG A 51 38.633 -31.518 2.948 1.00 2.52 H new ATOM 0 HE ARG A 51 37.301 -29.079 2.353 1.00 2.87 H new ATOM 0 HH11 ARG A 51 37.946 -32.228 0.893 1.00 4.13 H new ATOM 0 HH12 ARG A 51 36.464 -32.216 -0.068 1.00 4.13 H new ATOM 0 HH21 ARG A 51 35.398 -29.073 1.117 1.00 3.79 H new ATOM 0 HH22 ARG A 51 35.027 -30.438 0.059 1.00 3.79 H new ATOM 721 N LEU A 52 37.355 -27.919 6.677 1.00 1.51 N ATOM 722 CA LEU A 52 36.194 -27.044 6.772 1.00 1.55 C ATOM 723 C LEU A 52 36.621 -25.628 7.128 1.00 1.33 C ATOM 724 O LEU A 52 36.198 -24.670 6.490 1.00 1.22 O ATOM 725 CB LEU A 52 35.200 -27.572 7.812 1.00 1.88 C ATOM 726 CG LEU A 52 33.724 -27.447 7.421 1.00 2.21 C ATOM 727 CD1 LEU A 52 32.846 -28.216 8.398 1.00 2.58 C ATOM 728 CD2 LEU A 52 33.308 -25.984 7.363 1.00 2.90 C ATOM 0 H LEU A 52 37.370 -28.675 7.361 1.00 1.51 H new ATOM 0 HA LEU A 52 35.702 -27.028 5.800 1.00 1.55 H new ATOM 0 HB2 LEU A 52 35.422 -28.622 8.004 1.00 1.88 H new ATOM 0 HB3 LEU A 52 35.359 -27.037 8.748 1.00 1.88 H new ATOM 0 HG LEU A 52 33.593 -27.879 6.429 1.00 2.21 H new ATOM 0 HD11 LEU A 52 31.801 -28.116 8.105 1.00 2.58 H new ATOM 0 HD12 LEU A 52 33.126 -29.269 8.388 1.00 2.58 H new ATOM 0 HD13 LEU A 52 32.981 -27.814 9.402 1.00 2.58 H new ATOM 0 HD21 LEU A 52 32.257 -25.915 7.084 1.00 2.90 H new ATOM 0 HD22 LEU A 52 33.454 -25.525 8.341 1.00 2.90 H new ATOM 0 HD23 LEU A 52 33.915 -25.462 6.623 1.00 2.90 H new ATOM 740 N GLU A 53 37.472 -25.499 8.143 1.00 1.38 N ATOM 741 CA GLU A 53 37.950 -24.185 8.559 1.00 1.39 C ATOM 742 C GLU A 53 38.594 -23.461 7.382 1.00 1.16 C ATOM 743 O GLU A 53 38.224 -22.330 7.061 1.00 1.13 O ATOM 744 CB GLU A 53 38.942 -24.312 9.719 1.00 1.66 C ATOM 745 CG GLU A 53 38.275 -24.585 11.061 1.00 2.20 C ATOM 746 CD GLU A 53 38.988 -25.658 11.863 1.00 2.62 C ATOM 747 OE1 GLU A 53 39.033 -26.814 11.398 1.00 3.17 O ATOM 748 OE2 GLU A 53 39.499 -25.342 12.957 1.00 3.08 O ATOM 0 H GLU A 53 37.841 -26.279 8.687 1.00 1.38 H new ATOM 0 HA GLU A 53 37.097 -23.600 8.903 1.00 1.39 H new ATOM 0 HB2 GLU A 53 39.644 -25.117 9.500 1.00 1.66 H new ATOM 0 HB3 GLU A 53 39.524 -23.393 9.792 1.00 1.66 H new ATOM 0 HG2 GLU A 53 38.246 -23.663 11.641 1.00 2.20 H new ATOM 0 HG3 GLU A 53 37.242 -24.889 10.893 1.00 2.20 H new ATOM 755 N ALA A 54 39.541 -24.126 6.723 1.00 1.13 N ATOM 756 CA ALA A 54 40.205 -23.541 5.564 1.00 1.16 C ATOM 757 C ALA A 54 39.169 -23.137 4.521 1.00 0.99 C ATOM 758 O ALA A 54 39.183 -22.014 4.013 1.00 1.03 O ATOM 759 CB ALA A 54 41.210 -24.520 4.973 1.00 1.35 C ATOM 0 H ALA A 54 39.862 -25.062 6.970 1.00 1.13 H new ATOM 0 HA ALA A 54 40.748 -22.650 5.881 1.00 1.16 H new ATOM 0 HB1 ALA A 54 41.695 -24.066 4.109 1.00 1.35 H new ATOM 0 HB2 ALA A 54 41.961 -24.767 5.723 1.00 1.35 H new ATOM 0 HB3 ALA A 54 40.694 -25.429 4.663 1.00 1.35 H new ATOM 765 N GLU A 55 38.261 -24.060 4.228 1.00 0.99 N ATOM 766 CA GLU A 55 37.193 -23.817 3.269 1.00 1.06 C ATOM 767 C GLU A 55 36.443 -22.534 3.616 1.00 0.88 C ATOM 768 O GLU A 55 36.353 -21.618 2.800 1.00 0.90 O ATOM 769 CB GLU A 55 36.222 -24.998 3.267 1.00 1.35 C ATOM 770 CG GLU A 55 36.588 -26.100 2.289 1.00 1.84 C ATOM 771 CD GLU A 55 35.585 -27.237 2.298 1.00 1.93 C ATOM 772 OE1 GLU A 55 35.707 -28.136 3.158 1.00 2.60 O ATOM 773 OE2 GLU A 55 34.673 -27.231 1.445 1.00 2.20 O ATOM 0 H GLU A 55 38.245 -24.991 4.645 1.00 0.99 H new ATOM 0 HA GLU A 55 37.633 -23.706 2.278 1.00 1.06 H new ATOM 0 HB2 GLU A 55 36.177 -25.419 4.271 1.00 1.35 H new ATOM 0 HB3 GLU A 55 35.223 -24.633 3.029 1.00 1.35 H new ATOM 0 HG2 GLU A 55 36.652 -25.683 1.284 1.00 1.84 H new ATOM 0 HG3 GLU A 55 37.576 -26.489 2.537 1.00 1.84 H new ATOM 780 N LEU A 56 35.915 -22.480 4.837 1.00 0.90 N ATOM 781 CA LEU A 56 35.167 -21.324 5.315 1.00 0.98 C ATOM 782 C LEU A 56 35.890 -20.019 5.005 1.00 0.91 C ATOM 783 O LEU A 56 35.260 -19.029 4.631 1.00 0.99 O ATOM 784 CB LEU A 56 34.916 -21.452 6.823 1.00 1.26 C ATOM 785 CG LEU A 56 34.837 -20.130 7.600 1.00 2.02 C ATOM 786 CD1 LEU A 56 33.652 -20.140 8.552 1.00 2.67 C ATOM 787 CD2 LEU A 56 36.131 -19.876 8.361 1.00 2.55 C ATOM 0 H LEU A 56 35.994 -23.234 5.519 1.00 0.90 H new ATOM 0 HA LEU A 56 34.211 -21.301 4.791 1.00 0.98 H new ATOM 0 HB2 LEU A 56 33.983 -21.996 6.972 1.00 1.26 H new ATOM 0 HB3 LEU A 56 35.712 -22.059 7.255 1.00 1.26 H new ATOM 0 HG LEU A 56 34.696 -19.321 6.884 1.00 2.02 H new ATOM 0 HD11 LEU A 56 33.613 -19.195 9.094 1.00 2.67 H new ATOM 0 HD12 LEU A 56 32.731 -20.272 7.985 1.00 2.67 H new ATOM 0 HD13 LEU A 56 33.762 -20.960 9.261 1.00 2.67 H new ATOM 0 HD21 LEU A 56 36.054 -18.934 8.905 1.00 2.55 H new ATOM 0 HD22 LEU A 56 36.304 -20.689 9.066 1.00 2.55 H new ATOM 0 HD23 LEU A 56 36.962 -19.822 7.658 1.00 2.55 H new ATOM 799 N ALA A 57 37.207 -20.015 5.177 1.00 0.92 N ATOM 800 CA ALA A 57 37.998 -18.820 4.917 1.00 1.14 C ATOM 801 C ALA A 57 37.721 -18.278 3.518 1.00 1.08 C ATOM 802 O ALA A 57 37.602 -17.071 3.322 1.00 1.22 O ATOM 803 CB ALA A 57 39.479 -19.121 5.090 1.00 1.37 C ATOM 0 H ALA A 57 37.746 -20.821 5.493 1.00 0.92 H new ATOM 0 HA ALA A 57 37.711 -18.055 5.638 1.00 1.14 H new ATOM 0 HB1 ALA A 57 40.059 -18.219 4.893 1.00 1.37 H new ATOM 0 HB2 ALA A 57 39.665 -19.456 6.110 1.00 1.37 H new ATOM 0 HB3 ALA A 57 39.775 -19.903 4.391 1.00 1.37 H new ATOM 809 N ALA A 58 37.634 -19.182 2.548 1.00 1.03 N ATOM 810 CA ALA A 58 37.377 -18.811 1.159 1.00 1.19 C ATOM 811 C ALA A 58 35.888 -18.586 0.890 1.00 1.03 C ATOM 812 O ALA A 58 35.523 -17.847 -0.025 1.00 1.17 O ATOM 813 CB ALA A 58 37.921 -19.884 0.228 1.00 1.43 C ATOM 0 H ALA A 58 37.739 -20.185 2.699 1.00 1.03 H new ATOM 0 HA ALA A 58 37.888 -17.867 0.969 1.00 1.19 H new ATOM 0 HB1 ALA A 58 37.726 -19.601 -0.806 1.00 1.43 H new ATOM 0 HB2 ALA A 58 38.995 -19.987 0.380 1.00 1.43 H new ATOM 0 HB3 ALA A 58 37.432 -20.834 0.443 1.00 1.43 H new ATOM 819 N HIS A 59 35.030 -19.236 1.676 1.00 0.87 N ATOM 820 CA HIS A 59 33.588 -19.118 1.499 1.00 0.90 C ATOM 821 C HIS A 59 33.073 -17.789 2.042 1.00 0.80 C ATOM 822 O HIS A 59 32.023 -17.306 1.617 1.00 0.89 O ATOM 823 CB HIS A 59 32.872 -20.282 2.190 1.00 1.13 C ATOM 824 CG HIS A 59 33.114 -21.612 1.540 1.00 1.46 C ATOM 825 ND1 HIS A 59 34.345 -22.041 1.098 1.00 2.16 N ATOM 826 CD2 HIS A 59 32.242 -22.606 1.234 1.00 1.68 C ATOM 827 CE1 HIS A 59 34.184 -23.249 0.542 1.00 2.61 C ATOM 828 NE2 HIS A 59 32.928 -23.637 0.604 1.00 2.36 N ATOM 0 H HIS A 59 35.311 -19.849 2.441 1.00 0.87 H new ATOM 0 HA HIS A 59 33.376 -19.153 0.430 1.00 0.90 H new ATOM 0 HB2 HIS A 59 33.197 -20.331 3.229 1.00 1.13 H new ATOM 0 HB3 HIS A 59 31.800 -20.083 2.201 1.00 1.13 H new ATOM 0 HD1 HIS A 59 35.224 -21.530 1.179 1.00 2.16 H new ATOM 0 HD2 HIS A 59 31.183 -22.597 1.446 1.00 1.68 H new ATOM 0 HE1 HIS A 59 34.981 -23.829 0.100 1.00 2.61 H new ATOM 836 N GLU A 60 33.811 -17.201 2.981 1.00 0.87 N ATOM 837 CA GLU A 60 33.411 -15.926 3.568 1.00 1.09 C ATOM 838 C GLU A 60 33.445 -14.827 2.509 1.00 1.11 C ATOM 839 O GLU A 60 32.421 -14.204 2.225 1.00 1.12 O ATOM 840 CB GLU A 60 34.315 -15.556 4.753 1.00 1.39 C ATOM 841 CG GLU A 60 33.583 -15.464 6.083 1.00 1.92 C ATOM 842 CD GLU A 60 33.692 -16.738 6.896 1.00 2.39 C ATOM 843 OE1 GLU A 60 34.752 -16.957 7.519 1.00 3.01 O ATOM 844 OE2 GLU A 60 32.719 -17.518 6.909 1.00 2.70 O ATOM 0 H GLU A 60 34.682 -17.584 3.349 1.00 0.87 H new ATOM 0 HA GLU A 60 32.392 -16.026 3.941 1.00 1.09 H new ATOM 0 HB2 GLU A 60 35.109 -16.298 4.837 1.00 1.39 H new ATOM 0 HB3 GLU A 60 34.794 -14.599 4.547 1.00 1.39 H new ATOM 0 HG2 GLU A 60 33.988 -14.633 6.660 1.00 1.92 H new ATOM 0 HG3 GLU A 60 32.531 -15.242 5.901 1.00 1.92 H new ATOM 851 N PRO A 61 34.627 -14.559 1.920 1.00 1.23 N ATOM 852 CA PRO A 61 34.775 -13.527 0.892 1.00 1.42 C ATOM 853 C PRO A 61 33.829 -13.755 -0.280 1.00 1.32 C ATOM 854 O PRO A 61 33.262 -12.812 -0.826 1.00 1.44 O ATOM 855 CB PRO A 61 36.229 -13.679 0.431 1.00 1.60 C ATOM 856 CG PRO A 61 36.927 -14.325 1.574 1.00 1.59 C ATOM 857 CD PRO A 61 35.911 -15.223 2.221 1.00 1.29 C ATOM 0 HA PRO A 61 34.539 -12.534 1.275 1.00 1.42 H new ATOM 0 HB2 PRO A 61 36.296 -14.290 -0.469 1.00 1.60 H new ATOM 0 HB3 PRO A 61 36.671 -12.712 0.194 1.00 1.60 H new ATOM 0 HG2 PRO A 61 37.791 -14.895 1.233 1.00 1.59 H new ATOM 0 HG3 PRO A 61 37.295 -13.580 2.279 1.00 1.59 H new ATOM 0 HD2 PRO A 61 35.947 -16.232 1.811 1.00 1.29 H new ATOM 0 HD3 PRO A 61 36.077 -15.309 3.295 1.00 1.29 H new ATOM 865 N ALA A 62 33.675 -15.020 -0.666 1.00 1.18 N ATOM 866 CA ALA A 62 32.806 -15.384 -1.780 1.00 1.22 C ATOM 867 C ALA A 62 31.380 -14.889 -1.558 1.00 1.00 C ATOM 868 O ALA A 62 30.842 -14.137 -2.372 1.00 1.06 O ATOM 869 CB ALA A 62 32.814 -16.892 -1.986 1.00 1.31 C ATOM 0 H ALA A 62 34.142 -15.811 -0.222 1.00 1.18 H new ATOM 0 HA ALA A 62 33.193 -14.901 -2.677 1.00 1.22 H new ATOM 0 HB1 ALA A 62 32.161 -17.149 -2.820 1.00 1.31 H new ATOM 0 HB2 ALA A 62 33.829 -17.224 -2.204 1.00 1.31 H new ATOM 0 HB3 ALA A 62 32.457 -17.385 -1.081 1.00 1.31 H new ATOM 875 N ILE A 63 30.774 -15.311 -0.451 1.00 0.82 N ATOM 876 CA ILE A 63 29.407 -14.911 -0.135 1.00 0.73 C ATOM 877 C ILE A 63 29.311 -13.398 0.051 1.00 0.73 C ATOM 878 O ILE A 63 28.404 -12.754 -0.479 1.00 0.73 O ATOM 879 CB ILE A 63 28.883 -15.649 1.130 1.00 0.79 C ATOM 880 CG1 ILE A 63 28.646 -17.135 0.823 1.00 1.08 C ATOM 881 CG2 ILE A 63 27.595 -15.017 1.655 1.00 0.96 C ATOM 882 CD1 ILE A 63 29.324 -18.083 1.788 1.00 0.67 C ATOM 0 H ILE A 63 31.206 -15.926 0.238 1.00 0.82 H new ATOM 0 HA ILE A 63 28.777 -15.195 -0.978 1.00 0.73 H new ATOM 0 HB ILE A 63 29.646 -15.557 1.903 1.00 0.79 H new ATOM 0 HG12 ILE A 63 27.574 -17.330 0.833 1.00 1.08 H new ATOM 0 HG13 ILE A 63 29.000 -17.347 -0.186 1.00 1.08 H new ATOM 0 HG21 ILE A 63 27.258 -15.558 2.539 1.00 0.96 H new ATOM 0 HG22 ILE A 63 27.781 -13.975 1.916 1.00 0.96 H new ATOM 0 HG23 ILE A 63 26.825 -15.066 0.885 1.00 0.96 H new ATOM 0 HD11 ILE A 63 29.107 -19.112 1.501 1.00 0.67 H new ATOM 0 HD12 ILE A 63 30.401 -17.919 1.763 1.00 0.67 H new ATOM 0 HD13 ILE A 63 28.953 -17.902 2.797 1.00 0.67 H new ATOM 894 N GLN A 64 30.255 -12.832 0.796 1.00 0.83 N ATOM 895 CA GLN A 64 30.273 -11.392 1.038 1.00 0.95 C ATOM 896 C GLN A 64 30.288 -10.628 -0.283 1.00 0.95 C ATOM 897 O GLN A 64 29.570 -9.644 -0.450 1.00 0.92 O ATOM 898 CB GLN A 64 31.488 -11.003 1.889 1.00 1.17 C ATOM 899 CG GLN A 64 31.143 -10.677 3.337 1.00 1.62 C ATOM 900 CD GLN A 64 30.059 -11.574 3.909 1.00 2.58 C ATOM 901 OE1 GLN A 64 29.123 -11.103 4.554 1.00 3.24 O ATOM 902 NE2 GLN A 64 30.178 -12.876 3.671 1.00 3.27 N ATOM 0 H GLN A 64 31.015 -13.345 1.242 1.00 0.83 H new ATOM 0 HA GLN A 64 29.368 -11.126 1.584 1.00 0.95 H new ATOM 0 HB2 GLN A 64 32.209 -11.820 1.872 1.00 1.17 H new ATOM 0 HB3 GLN A 64 31.975 -10.139 1.437 1.00 1.17 H new ATOM 0 HG2 GLN A 64 32.041 -10.769 3.947 1.00 1.62 H new ATOM 0 HG3 GLN A 64 30.818 -9.639 3.402 1.00 1.62 H new ATOM 0 HE21 GLN A 64 30.970 -13.226 3.131 1.00 3.27 H new ATOM 0 HE22 GLN A 64 29.477 -13.526 4.028 1.00 3.27 H new ATOM 911 N GLY A 65 31.109 -11.096 -1.222 1.00 1.05 N ATOM 912 CA GLY A 65 31.199 -10.454 -2.519 1.00 1.14 C ATOM 913 C GLY A 65 29.833 -10.148 -3.093 1.00 0.94 C ATOM 914 O GLY A 65 29.556 -9.015 -3.489 1.00 0.94 O ATOM 0 H GLY A 65 31.713 -11.910 -1.105 1.00 1.05 H new ATOM 0 HA2 GLY A 65 31.770 -9.530 -2.428 1.00 1.14 H new ATOM 0 HA3 GLY A 65 31.745 -11.100 -3.207 1.00 1.14 H new ATOM 918 N VAL A 66 28.959 -11.153 -3.120 1.00 0.83 N ATOM 919 CA VAL A 66 27.611 -10.953 -3.639 1.00 0.72 C ATOM 920 C VAL A 66 26.880 -9.908 -2.802 1.00 0.59 C ATOM 921 O VAL A 66 26.267 -8.982 -3.335 1.00 0.56 O ATOM 922 CB VAL A 66 26.804 -12.276 -3.676 1.00 0.77 C ATOM 923 CG1 VAL A 66 25.477 -12.151 -2.932 1.00 1.22 C ATOM 924 CG2 VAL A 66 26.571 -12.712 -5.116 1.00 1.46 C ATOM 0 H VAL A 66 29.157 -12.099 -2.794 1.00 0.83 H new ATOM 0 HA VAL A 66 27.699 -10.597 -4.665 1.00 0.72 H new ATOM 0 HB VAL A 66 27.393 -13.038 -3.166 1.00 0.77 H new ATOM 0 HG11 VAL A 66 24.942 -13.099 -2.981 1.00 1.22 H new ATOM 0 HG12 VAL A 66 25.667 -11.895 -1.890 1.00 1.22 H new ATOM 0 HG13 VAL A 66 24.874 -11.369 -3.393 1.00 1.22 H new ATOM 0 HG21 VAL A 66 26.003 -13.642 -5.127 1.00 1.46 H new ATOM 0 HG22 VAL A 66 26.012 -11.939 -5.644 1.00 1.46 H new ATOM 0 HG23 VAL A 66 27.531 -12.867 -5.609 1.00 1.46 H new ATOM 934 N LEU A 67 26.963 -10.061 -1.483 1.00 0.58 N ATOM 935 CA LEU A 67 26.322 -9.127 -0.559 1.00 0.62 C ATOM 936 C LEU A 67 26.679 -7.687 -0.918 1.00 0.69 C ATOM 937 O LEU A 67 25.798 -6.840 -1.075 1.00 0.71 O ATOM 938 CB LEU A 67 26.737 -9.429 0.886 1.00 0.74 C ATOM 939 CG LEU A 67 25.577 -9.665 1.859 1.00 1.29 C ATOM 940 CD1 LEU A 67 26.009 -10.589 2.989 1.00 1.90 C ATOM 941 CD2 LEU A 67 25.066 -8.341 2.410 1.00 2.13 C ATOM 0 H LEU A 67 27.468 -10.822 -1.029 1.00 0.58 H new ATOM 0 HA LEU A 67 25.242 -9.250 -0.645 1.00 0.62 H new ATOM 0 HB2 LEU A 67 27.377 -10.311 0.887 1.00 0.74 H new ATOM 0 HB3 LEU A 67 27.338 -8.599 1.256 1.00 0.74 H new ATOM 0 HG LEU A 67 24.763 -10.146 1.317 1.00 1.29 H new ATOM 0 HD11 LEU A 67 25.173 -10.746 3.671 1.00 1.90 H new ATOM 0 HD12 LEU A 67 26.324 -11.547 2.575 1.00 1.90 H new ATOM 0 HD13 LEU A 67 26.839 -10.137 3.531 1.00 1.90 H new ATOM 0 HD21 LEU A 67 24.242 -8.527 3.099 1.00 2.13 H new ATOM 0 HD22 LEU A 67 25.872 -7.831 2.937 1.00 2.13 H new ATOM 0 HD23 LEU A 67 24.717 -7.715 1.588 1.00 2.13 H new ATOM 953 N ASP A 68 27.975 -7.415 -1.050 1.00 0.79 N ATOM 954 CA ASP A 68 28.438 -6.075 -1.398 1.00 0.94 C ATOM 955 C ASP A 68 27.798 -5.622 -2.705 1.00 0.86 C ATOM 956 O ASP A 68 27.256 -4.519 -2.791 1.00 0.91 O ATOM 957 CB ASP A 68 29.963 -6.034 -1.516 1.00 1.12 C ATOM 958 CG ASP A 68 30.498 -4.616 -1.436 1.00 1.55 C ATOM 959 OD1 ASP A 68 30.375 -3.879 -2.437 1.00 2.24 O ATOM 960 OD2 ASP A 68 31.024 -4.238 -0.370 1.00 2.04 O ATOM 0 H ASP A 68 28.719 -8.101 -0.922 1.00 0.79 H new ATOM 0 HA ASP A 68 28.141 -5.394 -0.600 1.00 0.94 H new ATOM 0 HB2 ASP A 68 30.405 -6.634 -0.721 1.00 1.12 H new ATOM 0 HB3 ASP A 68 30.266 -6.484 -2.461 1.00 1.12 H new ATOM 965 N THR A 69 27.856 -6.482 -3.721 1.00 0.80 N ATOM 966 CA THR A 69 27.265 -6.167 -5.018 1.00 0.80 C ATOM 967 C THR A 69 25.805 -5.756 -4.845 1.00 0.67 C ATOM 968 O THR A 69 25.369 -4.735 -5.378 1.00 0.73 O ATOM 969 CB THR A 69 27.368 -7.370 -5.960 1.00 0.86 C ATOM 970 OG1 THR A 69 28.686 -7.887 -5.968 1.00 1.02 O ATOM 971 CG2 THR A 69 26.995 -7.047 -7.392 1.00 0.94 C ATOM 0 H THR A 69 28.304 -7.397 -3.671 1.00 0.80 H new ATOM 0 HA THR A 69 27.815 -5.335 -5.457 1.00 0.80 H new ATOM 0 HB THR A 69 26.657 -8.100 -5.573 1.00 0.86 H new ATOM 0 HG1 THR A 69 28.845 -8.389 -5.142 1.00 1.02 H new ATOM 0 HG21 THR A 69 27.090 -7.944 -8.004 1.00 0.94 H new ATOM 0 HG22 THR A 69 25.966 -6.691 -7.428 1.00 0.94 H new ATOM 0 HG23 THR A 69 27.660 -6.274 -7.776 1.00 0.94 H new ATOM 979 N GLY A 70 25.052 -6.555 -4.088 1.00 0.57 N ATOM 980 CA GLY A 70 23.653 -6.242 -3.847 1.00 0.59 C ATOM 981 C GLY A 70 23.485 -4.844 -3.286 1.00 0.69 C ATOM 982 O GLY A 70 22.633 -4.082 -3.743 1.00 0.79 O ATOM 0 H GLY A 70 25.385 -7.409 -3.640 1.00 0.57 H new ATOM 0 HA2 GLY A 70 23.094 -6.331 -4.778 1.00 0.59 H new ATOM 0 HA3 GLY A 70 23.231 -6.967 -3.151 1.00 0.59 H new ATOM 986 N LYS A 71 24.306 -4.498 -2.296 1.00 0.76 N ATOM 987 CA LYS A 71 24.246 -3.173 -1.692 1.00 0.94 C ATOM 988 C LYS A 71 24.343 -2.113 -2.784 1.00 0.99 C ATOM 989 O LYS A 71 23.607 -1.125 -2.779 1.00 1.12 O ATOM 990 CB LYS A 71 25.373 -2.994 -0.665 1.00 1.05 C ATOM 991 CG LYS A 71 25.651 -1.541 -0.297 1.00 1.35 C ATOM 992 CD LYS A 71 26.786 -0.951 -1.124 1.00 1.91 C ATOM 993 CE LYS A 71 28.144 -1.222 -0.495 1.00 2.53 C ATOM 994 NZ LYS A 71 28.530 -2.657 -0.599 1.00 3.25 N ATOM 0 H LYS A 71 25.015 -5.114 -1.899 1.00 0.76 H new ATOM 0 HA LYS A 71 23.296 -3.063 -1.169 1.00 0.94 H new ATOM 0 HB2 LYS A 71 25.117 -3.545 0.240 1.00 1.05 H new ATOM 0 HB3 LYS A 71 26.286 -3.439 -1.061 1.00 1.05 H new ATOM 0 HG2 LYS A 71 24.748 -0.950 -0.447 1.00 1.35 H new ATOM 0 HG3 LYS A 71 25.902 -1.477 0.762 1.00 1.35 H new ATOM 0 HD2 LYS A 71 26.760 -1.372 -2.129 1.00 1.91 H new ATOM 0 HD3 LYS A 71 26.641 0.124 -1.225 1.00 1.91 H new ATOM 0 HE2 LYS A 71 28.899 -0.607 -0.984 1.00 2.53 H new ATOM 0 HE3 LYS A 71 28.123 -0.927 0.554 1.00 2.53 H new ATOM 0 HZ1 LYS A 71 29.524 -2.771 -0.315 1.00 3.25 H new ATOM 0 HZ2 LYS A 71 27.924 -3.226 0.026 1.00 3.25 H new ATOM 0 HZ3 LYS A 71 28.412 -2.978 -1.581 1.00 3.25 H new ATOM 1008 N LYS A 72 25.246 -2.343 -3.738 1.00 0.95 N ATOM 1009 CA LYS A 72 25.424 -1.423 -4.855 1.00 1.08 C ATOM 1010 C LYS A 72 24.120 -1.304 -5.632 1.00 1.06 C ATOM 1011 O LYS A 72 23.594 -0.208 -5.817 1.00 1.26 O ATOM 1012 CB LYS A 72 26.555 -1.899 -5.775 1.00 1.14 C ATOM 1013 CG LYS A 72 27.741 -0.944 -5.828 1.00 1.49 C ATOM 1014 CD LYS A 72 27.517 0.180 -6.833 1.00 2.07 C ATOM 1015 CE LYS A 72 27.690 1.552 -6.197 1.00 2.89 C ATOM 1016 NZ LYS A 72 26.414 2.065 -5.627 1.00 3.71 N ATOM 0 H LYS A 72 25.862 -3.156 -3.757 1.00 0.95 H new ATOM 0 HA LYS A 72 25.698 -0.443 -4.464 1.00 1.08 H new ATOM 0 HB2 LYS A 72 26.901 -2.876 -5.437 1.00 1.14 H new ATOM 0 HB3 LYS A 72 26.161 -2.032 -6.783 1.00 1.14 H new ATOM 0 HG2 LYS A 72 27.910 -0.519 -4.839 1.00 1.49 H new ATOM 0 HG3 LYS A 72 28.641 -1.497 -6.095 1.00 1.49 H new ATOM 0 HD2 LYS A 72 28.218 0.072 -7.661 1.00 2.07 H new ATOM 0 HD3 LYS A 72 26.514 0.098 -7.252 1.00 2.07 H new ATOM 0 HE2 LYS A 72 28.442 1.495 -5.410 1.00 2.89 H new ATOM 0 HE3 LYS A 72 28.062 2.254 -6.943 1.00 2.89 H new ATOM 0 HZ1 LYS A 72 26.492 3.090 -5.467 1.00 3.71 H new ATOM 0 HZ2 LYS A 72 25.636 1.877 -6.291 1.00 3.71 H new ATOM 0 HZ3 LYS A 72 26.221 1.587 -4.724 1.00 3.71 H new ATOM 1030 N LEU A 73 23.590 -2.452 -6.058 1.00 0.89 N ATOM 1031 CA LEU A 73 22.328 -2.489 -6.793 1.00 0.98 C ATOM 1032 C LEU A 73 21.312 -1.563 -6.134 1.00 1.14 C ATOM 1033 O LEU A 73 20.621 -0.799 -6.807 1.00 1.32 O ATOM 1034 CB LEU A 73 21.771 -3.916 -6.831 1.00 0.97 C ATOM 1035 CG LEU A 73 22.155 -4.742 -8.061 1.00 0.92 C ATOM 1036 CD1 LEU A 73 23.656 -4.988 -8.096 1.00 1.52 C ATOM 1037 CD2 LEU A 73 21.395 -6.060 -8.067 1.00 0.96 C ATOM 0 H LEU A 73 24.016 -3.366 -5.906 1.00 0.89 H new ATOM 0 HA LEU A 73 22.514 -2.154 -7.814 1.00 0.98 H new ATOM 0 HB2 LEU A 73 22.111 -4.444 -5.940 1.00 0.97 H new ATOM 0 HB3 LEU A 73 20.684 -3.864 -6.775 1.00 0.97 H new ATOM 0 HG LEU A 73 21.883 -4.180 -8.955 1.00 0.92 H new ATOM 0 HD11 LEU A 73 23.908 -5.577 -8.978 1.00 1.52 H new ATOM 0 HD12 LEU A 73 24.180 -4.033 -8.135 1.00 1.52 H new ATOM 0 HD13 LEU A 73 23.957 -5.530 -7.200 1.00 1.52 H new ATOM 0 HD21 LEU A 73 21.677 -6.638 -8.947 1.00 0.96 H new ATOM 0 HD22 LEU A 73 21.640 -6.625 -7.168 1.00 0.96 H new ATOM 0 HD23 LEU A 73 20.323 -5.862 -8.091 1.00 0.96 H new ATOM 1049 N SER A 74 21.235 -1.640 -4.809 1.00 1.13 N ATOM 1050 CA SER A 74 20.313 -0.811 -4.041 1.00 1.36 C ATOM 1051 C SER A 74 20.498 0.660 -4.390 1.00 1.52 C ATOM 1052 O SER A 74 19.559 1.330 -4.807 1.00 1.76 O ATOM 1053 CB SER A 74 20.525 -1.019 -2.539 1.00 1.37 C ATOM 1054 OG SER A 74 21.000 -2.325 -2.264 1.00 1.67 O ATOM 0 H SER A 74 21.803 -2.271 -4.243 1.00 1.13 H new ATOM 0 HA SER A 74 19.296 -1.109 -4.298 1.00 1.36 H new ATOM 0 HB2 SER A 74 21.237 -0.284 -2.165 1.00 1.37 H new ATOM 0 HB3 SER A 74 19.587 -0.852 -2.010 1.00 1.37 H new ATOM 0 HG SER A 74 21.249 -2.390 -1.318 1.00 1.67 H new ATOM 1060 N ASP A 75 21.715 1.155 -4.207 1.00 1.47 N ATOM 1061 CA ASP A 75 22.026 2.551 -4.495 1.00 1.71 C ATOM 1062 C ASP A 75 21.781 2.884 -5.967 1.00 1.86 C ATOM 1063 O ASP A 75 21.549 4.041 -6.317 1.00 2.14 O ATOM 1064 CB ASP A 75 23.483 2.860 -4.130 1.00 1.72 C ATOM 1065 CG ASP A 75 24.015 1.974 -3.014 1.00 1.79 C ATOM 1066 OD1 ASP A 75 23.293 1.775 -2.014 1.00 2.15 O ATOM 1067 OD2 ASP A 75 25.155 1.480 -3.142 1.00 2.34 O ATOM 0 H ASP A 75 22.505 0.611 -3.860 1.00 1.47 H new ATOM 0 HA ASP A 75 21.363 3.169 -3.889 1.00 1.71 H new ATOM 0 HB2 ASP A 75 24.108 2.736 -5.014 1.00 1.72 H new ATOM 0 HB3 ASP A 75 23.563 3.904 -3.827 1.00 1.72 H new ATOM 1072 N ASP A 76 21.858 1.868 -6.824 1.00 1.77 N ATOM 1073 CA ASP A 76 21.670 2.057 -8.264 1.00 2.01 C ATOM 1074 C ASP A 76 20.219 1.839 -8.700 1.00 1.98 C ATOM 1075 O ASP A 76 19.858 2.175 -9.829 1.00 2.28 O ATOM 1076 CB ASP A 76 22.579 1.105 -9.052 1.00 2.20 C ATOM 1077 CG ASP A 76 23.958 0.944 -8.436 1.00 2.36 C ATOM 1078 OD1 ASP A 76 24.467 1.914 -7.838 1.00 2.89 O ATOM 1079 OD2 ASP A 76 24.534 -0.158 -8.562 1.00 2.64 O ATOM 0 H ASP A 76 22.049 0.905 -6.548 1.00 1.77 H new ATOM 0 HA ASP A 76 21.934 3.093 -8.479 1.00 2.01 H new ATOM 0 HB2 ASP A 76 22.101 0.128 -9.116 1.00 2.20 H new ATOM 0 HB3 ASP A 76 22.685 1.476 -10.072 1.00 2.20 H new ATOM 1084 N ASN A 77 19.392 1.261 -7.828 1.00 1.87 N ATOM 1085 CA ASN A 77 17.995 0.996 -8.180 1.00 2.13 C ATOM 1086 C ASN A 77 17.081 0.966 -6.954 1.00 1.92 C ATOM 1087 O ASN A 77 16.115 1.727 -6.880 1.00 2.30 O ATOM 1088 CB ASN A 77 17.891 -0.335 -8.938 1.00 3.00 C ATOM 1089 CG ASN A 77 16.532 -0.995 -8.781 1.00 3.68 C ATOM 1090 OD1 ASN A 77 16.323 -1.805 -7.877 1.00 3.93 O ATOM 1091 ND2 ASN A 77 15.601 -0.651 -9.662 1.00 4.42 N ATOM 0 H ASN A 77 19.658 0.971 -6.887 1.00 1.87 H new ATOM 0 HA ASN A 77 17.660 1.815 -8.816 1.00 2.13 H new ATOM 0 HB2 ASN A 77 18.086 -0.162 -9.996 1.00 3.00 H new ATOM 0 HB3 ASN A 77 18.664 -1.014 -8.579 1.00 3.00 H new ATOM 0 HD21 ASN A 77 14.669 -1.062 -9.606 1.00 4.42 H new ATOM 0 HD22 ASN A 77 15.817 0.024 -10.395 1.00 4.42 H new ATOM 1098 N THR A 78 17.378 0.063 -6.018 1.00 2.42 N ATOM 1099 CA THR A 78 16.575 -0.110 -4.801 1.00 3.13 C ATOM 1100 C THR A 78 15.225 -0.744 -5.137 1.00 3.07 C ATOM 1101 O THR A 78 14.973 -1.906 -4.804 1.00 3.33 O ATOM 1102 CB THR A 78 16.359 1.219 -4.050 1.00 4.02 C ATOM 1103 OG1 THR A 78 17.026 2.296 -4.682 1.00 4.29 O ATOM 1104 CG2 THR A 78 16.837 1.172 -2.614 1.00 4.87 C ATOM 0 H THR A 78 18.178 -0.567 -6.079 1.00 2.42 H new ATOM 0 HA THR A 78 17.134 -0.774 -4.142 1.00 3.13 H new ATOM 0 HB THR A 78 15.280 1.373 -4.067 1.00 4.02 H new ATOM 0 HG1 THR A 78 16.485 2.621 -5.431 1.00 4.29 H new ATOM 0 HG21 THR A 78 16.658 2.137 -2.139 1.00 4.87 H new ATOM 0 HG22 THR A 78 16.294 0.396 -2.075 1.00 4.87 H new ATOM 0 HG23 THR A 78 17.904 0.950 -2.593 1.00 4.87 H new ATOM 1112 N ILE A 79 14.367 0.031 -5.804 1.00 3.06 N ATOM 1113 CA ILE A 79 13.043 -0.439 -6.200 1.00 3.21 C ATOM 1114 C ILE A 79 13.158 -1.686 -7.071 1.00 2.90 C ATOM 1115 O ILE A 79 13.321 -1.598 -8.287 1.00 3.08 O ATOM 1116 CB ILE A 79 12.261 0.651 -6.964 1.00 3.81 C ATOM 1117 CG1 ILE A 79 12.149 1.925 -6.115 1.00 4.11 C ATOM 1118 CG2 ILE A 79 10.878 0.144 -7.352 1.00 4.49 C ATOM 1119 CD1 ILE A 79 12.215 3.204 -6.922 1.00 4.56 C ATOM 0 H ILE A 79 14.570 0.991 -6.081 1.00 3.06 H new ATOM 0 HA ILE A 79 12.497 -0.681 -5.288 1.00 3.21 H new ATOM 0 HB ILE A 79 12.807 0.891 -7.876 1.00 3.81 H new ATOM 0 HG12 ILE A 79 11.209 1.902 -5.564 1.00 4.11 H new ATOM 0 HG13 ILE A 79 12.951 1.930 -5.377 1.00 4.11 H new ATOM 0 HG21 ILE A 79 10.341 0.926 -7.890 1.00 4.49 H new ATOM 0 HG22 ILE A 79 10.978 -0.733 -7.992 1.00 4.49 H new ATOM 0 HG23 ILE A 79 10.323 -0.124 -6.453 1.00 4.49 H new ATOM 0 HD11 ILE A 79 12.129 4.061 -6.254 1.00 4.56 H new ATOM 0 HD12 ILE A 79 13.166 3.251 -7.452 1.00 4.56 H new ATOM 0 HD13 ILE A 79 11.397 3.222 -7.642 1.00 4.56 H new ATOM 1131 N GLY A 80 13.088 -2.840 -6.426 1.00 2.87 N ATOM 1132 CA GLY A 80 13.202 -4.103 -7.124 1.00 2.77 C ATOM 1133 C GLY A 80 14.217 -4.994 -6.450 1.00 2.49 C ATOM 1134 O GLY A 80 13.876 -6.066 -5.950 1.00 2.38 O ATOM 0 H GLY A 80 12.952 -2.924 -5.419 1.00 2.87 H new ATOM 0 HA2 GLY A 80 12.232 -4.600 -7.147 1.00 2.77 H new ATOM 0 HA3 GLY A 80 13.495 -3.927 -8.159 1.00 2.77 H new ATOM 1138 N LYS A 81 15.464 -4.528 -6.409 1.00 2.47 N ATOM 1139 CA LYS A 81 16.544 -5.272 -5.771 1.00 2.30 C ATOM 1140 C LYS A 81 16.130 -5.748 -4.374 1.00 2.13 C ATOM 1141 O LYS A 81 16.544 -6.815 -3.927 1.00 1.92 O ATOM 1142 CB LYS A 81 17.819 -4.414 -5.721 1.00 2.45 C ATOM 1143 CG LYS A 81 18.197 -3.905 -4.337 1.00 2.98 C ATOM 1144 CD LYS A 81 19.123 -4.873 -3.618 1.00 3.54 C ATOM 1145 CE LYS A 81 18.721 -5.061 -2.165 1.00 4.27 C ATOM 1146 NZ LYS A 81 18.656 -3.769 -1.433 1.00 4.40 N ATOM 0 H LYS A 81 15.750 -3.636 -6.812 1.00 2.47 H new ATOM 0 HA LYS A 81 16.757 -6.161 -6.365 1.00 2.30 H new ATOM 0 HB2 LYS A 81 18.649 -5.000 -6.116 1.00 2.45 H new ATOM 0 HB3 LYS A 81 17.689 -3.558 -6.384 1.00 2.45 H new ATOM 0 HG2 LYS A 81 18.684 -2.934 -4.426 1.00 2.98 H new ATOM 0 HG3 LYS A 81 17.294 -3.756 -3.744 1.00 2.98 H new ATOM 0 HD2 LYS A 81 19.108 -5.837 -4.127 1.00 3.54 H new ATOM 0 HD3 LYS A 81 20.147 -4.502 -3.667 1.00 3.54 H new ATOM 0 HE2 LYS A 81 17.750 -5.553 -2.119 1.00 4.27 H new ATOM 0 HE3 LYS A 81 19.436 -5.720 -1.673 1.00 4.27 H new ATOM 0 HZ1 LYS A 81 18.597 -3.952 -0.411 1.00 4.40 H new ATOM 0 HZ2 LYS A 81 19.510 -3.211 -1.637 1.00 4.40 H new ATOM 0 HZ3 LYS A 81 17.815 -3.239 -1.739 1.00 4.40 H new ATOM 1160 N GLU A 82 15.293 -4.960 -3.697 1.00 2.24 N ATOM 1161 CA GLU A 82 14.812 -5.315 -2.364 1.00 2.14 C ATOM 1162 C GLU A 82 14.358 -6.777 -2.317 1.00 1.94 C ATOM 1163 O GLU A 82 14.632 -7.490 -1.350 1.00 1.76 O ATOM 1164 CB GLU A 82 13.657 -4.394 -1.956 1.00 2.37 C ATOM 1165 CG GLU A 82 14.068 -3.285 -0.997 1.00 2.74 C ATOM 1166 CD GLU A 82 14.904 -2.209 -1.665 1.00 2.68 C ATOM 1167 OE1 GLU A 82 16.054 -2.504 -2.051 1.00 3.00 O ATOM 1168 OE2 GLU A 82 14.409 -1.070 -1.802 1.00 2.89 O ATOM 0 H GLU A 82 14.935 -4.073 -4.051 1.00 2.24 H new ATOM 0 HA GLU A 82 15.635 -5.189 -1.661 1.00 2.14 H new ATOM 0 HB2 GLU A 82 13.227 -3.947 -2.852 1.00 2.37 H new ATOM 0 HB3 GLU A 82 12.874 -4.992 -1.491 1.00 2.37 H new ATOM 0 HG2 GLU A 82 13.174 -2.831 -0.570 1.00 2.74 H new ATOM 0 HG3 GLU A 82 14.633 -3.716 -0.171 1.00 2.74 H new ATOM 1175 N GLU A 83 13.671 -7.223 -3.369 1.00 2.03 N ATOM 1176 CA GLU A 83 13.195 -8.603 -3.440 1.00 1.94 C ATOM 1177 C GLU A 83 14.369 -9.576 -3.431 1.00 1.73 C ATOM 1178 O GLU A 83 14.341 -10.597 -2.741 1.00 1.57 O ATOM 1179 CB GLU A 83 12.325 -8.815 -4.688 1.00 2.17 C ATOM 1180 CG GLU A 83 13.101 -8.846 -6.000 1.00 2.39 C ATOM 1181 CD GLU A 83 13.282 -10.250 -6.547 1.00 2.51 C ATOM 1182 OE1 GLU A 83 14.035 -11.036 -5.935 1.00 2.93 O ATOM 1183 OE2 GLU A 83 12.674 -10.562 -7.591 1.00 2.94 O ATOM 0 H GLU A 83 13.433 -6.651 -4.180 1.00 2.03 H new ATOM 0 HA GLU A 83 12.581 -8.798 -2.561 1.00 1.94 H new ATOM 0 HB2 GLU A 83 11.780 -9.753 -4.581 1.00 2.17 H new ATOM 0 HB3 GLU A 83 11.583 -8.018 -4.738 1.00 2.17 H new ATOM 0 HG2 GLU A 83 12.579 -8.238 -6.739 1.00 2.39 H new ATOM 0 HG3 GLU A 83 14.080 -8.392 -5.848 1.00 2.39 H new ATOM 1190 N ILE A 84 15.405 -9.253 -4.198 1.00 1.75 N ATOM 1191 CA ILE A 84 16.590 -10.095 -4.266 1.00 1.60 C ATOM 1192 C ILE A 84 17.217 -10.219 -2.885 1.00 1.38 C ATOM 1193 O ILE A 84 17.616 -11.304 -2.471 1.00 1.22 O ATOM 1194 CB ILE A 84 17.630 -9.547 -5.267 1.00 1.73 C ATOM 1195 CG1 ILE A 84 16.943 -9.127 -6.574 1.00 2.03 C ATOM 1196 CG2 ILE A 84 18.704 -10.594 -5.539 1.00 1.57 C ATOM 1197 CD1 ILE A 84 17.839 -8.352 -7.514 1.00 2.47 C ATOM 0 H ILE A 84 15.447 -8.416 -4.779 1.00 1.75 H new ATOM 0 HA ILE A 84 16.277 -11.078 -4.619 1.00 1.60 H new ATOM 0 HB ILE A 84 18.106 -8.669 -4.831 1.00 1.73 H new ATOM 0 HG12 ILE A 84 16.580 -10.019 -7.086 1.00 2.03 H new ATOM 0 HG13 ILE A 84 16.070 -8.519 -6.336 1.00 2.03 H new ATOM 0 HG21 ILE A 84 19.431 -10.194 -6.246 1.00 1.57 H new ATOM 0 HG22 ILE A 84 19.208 -10.849 -4.607 1.00 1.57 H new ATOM 0 HG23 ILE A 84 18.243 -11.488 -5.959 1.00 1.57 H new ATOM 0 HD11 ILE A 84 17.283 -8.091 -8.414 1.00 2.47 H new ATOM 0 HD12 ILE A 84 18.181 -7.442 -7.022 1.00 2.47 H new ATOM 0 HD13 ILE A 84 18.699 -8.964 -7.784 1.00 2.47 H new ATOM 1209 N GLN A 85 17.279 -9.102 -2.161 1.00 1.45 N ATOM 1210 CA GLN A 85 17.836 -9.105 -0.811 1.00 1.35 C ATOM 1211 C GLN A 85 17.193 -10.222 0.007 1.00 1.19 C ATOM 1212 O GLN A 85 17.886 -11.008 0.650 1.00 1.05 O ATOM 1213 CB GLN A 85 17.616 -7.755 -0.123 1.00 1.56 C ATOM 1214 CG GLN A 85 18.188 -7.690 1.287 1.00 1.77 C ATOM 1215 CD GLN A 85 18.697 -6.308 1.660 1.00 2.36 C ATOM 1216 OE1 GLN A 85 18.527 -5.345 0.914 1.00 2.80 O ATOM 1217 NE2 GLN A 85 19.330 -6.207 2.823 1.00 3.13 N ATOM 0 H GLN A 85 16.953 -8.191 -2.484 1.00 1.45 H new ATOM 0 HA GLN A 85 18.910 -9.278 -0.880 1.00 1.35 H new ATOM 0 HB2 GLN A 85 18.071 -6.970 -0.727 1.00 1.56 H new ATOM 0 HB3 GLN A 85 16.547 -7.547 -0.083 1.00 1.56 H new ATOM 0 HG2 GLN A 85 17.420 -7.992 1.999 1.00 1.77 H new ATOM 0 HG3 GLN A 85 19.004 -8.407 1.375 1.00 1.77 H new ATOM 0 HE21 GLN A 85 19.449 -7.031 3.412 1.00 3.13 H new ATOM 0 HE22 GLN A 85 19.697 -5.305 3.127 1.00 3.13 H new ATOM 1226 N GLN A 86 15.861 -10.293 -0.040 1.00 1.26 N ATOM 1227 CA GLN A 86 15.125 -11.330 0.680 1.00 1.18 C ATOM 1228 C GLN A 86 15.674 -12.707 0.318 1.00 1.03 C ATOM 1229 O GLN A 86 15.991 -13.510 1.195 1.00 0.90 O ATOM 1230 CB GLN A 86 13.630 -11.254 0.354 1.00 1.37 C ATOM 1231 CG GLN A 86 12.741 -11.903 1.405 1.00 1.47 C ATOM 1232 CD GLN A 86 11.300 -11.440 1.317 1.00 2.31 C ATOM 1233 OE1 GLN A 86 10.406 -12.214 0.972 1.00 2.90 O ATOM 1234 NE2 GLN A 86 11.065 -10.171 1.630 1.00 3.09 N ATOM 0 H GLN A 86 15.274 -9.647 -0.567 1.00 1.26 H new ATOM 0 HA GLN A 86 15.253 -11.167 1.750 1.00 1.18 H new ATOM 0 HB2 GLN A 86 13.344 -10.208 0.244 1.00 1.37 H new ATOM 0 HB3 GLN A 86 13.452 -11.736 -0.607 1.00 1.37 H new ATOM 0 HG2 GLN A 86 12.778 -12.986 1.288 1.00 1.47 H new ATOM 0 HG3 GLN A 86 13.132 -11.675 2.397 1.00 1.47 H new ATOM 0 HE21 GLN A 86 11.835 -9.564 1.911 1.00 3.09 H new ATOM 0 HE22 GLN A 86 10.114 -9.803 1.590 1.00 3.09 H new ATOM 1243 N ARG A 87 15.798 -12.965 -0.983 1.00 1.11 N ATOM 1244 CA ARG A 87 16.330 -14.239 -1.464 1.00 1.09 C ATOM 1245 C ARG A 87 17.740 -14.451 -0.921 1.00 0.91 C ATOM 1246 O ARG A 87 18.072 -15.522 -0.413 1.00 0.87 O ATOM 1247 CB ARG A 87 16.339 -14.268 -2.996 1.00 1.29 C ATOM 1248 CG ARG A 87 16.752 -15.610 -3.585 1.00 1.78 C ATOM 1249 CD ARG A 87 17.967 -15.478 -4.492 1.00 2.22 C ATOM 1250 NE ARG A 87 18.402 -16.771 -5.017 1.00 2.81 N ATOM 1251 CZ ARG A 87 19.046 -17.685 -4.298 1.00 3.73 C ATOM 1252 NH1 ARG A 87 19.340 -17.451 -3.024 1.00 4.43 N ATOM 1253 NH2 ARG A 87 19.396 -18.834 -4.855 1.00 4.21 N ATOM 0 H ARG A 87 15.538 -12.311 -1.721 1.00 1.11 H new ATOM 0 HA ARG A 87 15.690 -15.046 -1.108 1.00 1.09 H new ATOM 0 HB2 ARG A 87 15.344 -14.013 -3.360 1.00 1.29 H new ATOM 0 HB3 ARG A 87 17.019 -13.498 -3.360 1.00 1.29 H new ATOM 0 HG2 ARG A 87 16.975 -16.308 -2.778 1.00 1.78 H new ATOM 0 HG3 ARG A 87 15.920 -16.031 -4.150 1.00 1.78 H new ATOM 0 HD2 ARG A 87 17.730 -14.811 -5.321 1.00 2.22 H new ATOM 0 HD3 ARG A 87 18.785 -15.018 -3.937 1.00 2.22 H new ATOM 0 HE ARG A 87 18.199 -16.985 -5.994 1.00 2.81 H new ATOM 0 HH11 ARG A 87 19.071 -16.567 -2.593 1.00 4.43 H new ATOM 0 HH12 ARG A 87 19.834 -18.156 -2.477 1.00 4.43 H new ATOM 0 HH21 ARG A 87 19.171 -19.016 -5.833 1.00 4.21 H new ATOM 0 HH22 ARG A 87 19.890 -19.537 -4.306 1.00 4.21 H new ATOM 1267 N LEU A 88 18.565 -13.412 -1.023 1.00 0.87 N ATOM 1268 CA LEU A 88 19.933 -13.469 -0.529 1.00 0.78 C ATOM 1269 C LEU A 88 19.935 -13.767 0.968 1.00 0.71 C ATOM 1270 O LEU A 88 20.859 -14.388 1.488 1.00 0.67 O ATOM 1271 CB LEU A 88 20.659 -12.150 -0.810 1.00 0.86 C ATOM 1272 CG LEU A 88 21.973 -11.950 -0.043 1.00 1.04 C ATOM 1273 CD1 LEU A 88 23.046 -11.373 -0.953 1.00 1.15 C ATOM 1274 CD2 LEU A 88 21.756 -11.049 1.167 1.00 1.90 C ATOM 0 H LEU A 88 18.307 -12.520 -1.445 1.00 0.87 H new ATOM 0 HA LEU A 88 20.460 -14.269 -1.049 1.00 0.78 H new ATOM 0 HB2 LEU A 88 20.868 -12.089 -1.878 1.00 0.86 H new ATOM 0 HB3 LEU A 88 19.987 -11.326 -0.569 1.00 0.86 H new ATOM 0 HG LEU A 88 22.313 -12.924 0.310 1.00 1.04 H new ATOM 0 HD11 LEU A 88 23.969 -11.240 -0.388 1.00 1.15 H new ATOM 0 HD12 LEU A 88 23.224 -12.056 -1.784 1.00 1.15 H new ATOM 0 HD13 LEU A 88 22.715 -10.409 -1.340 1.00 1.15 H new ATOM 0 HD21 LEU A 88 22.699 -10.919 1.698 1.00 1.90 H new ATOM 0 HD22 LEU A 88 21.389 -10.077 0.836 1.00 1.90 H new ATOM 0 HD23 LEU A 88 21.024 -11.505 1.834 1.00 1.90 H new ATOM 1286 N ALA A 89 18.880 -13.334 1.658 1.00 0.77 N ATOM 1287 CA ALA A 89 18.758 -13.576 3.089 1.00 0.81 C ATOM 1288 C ALA A 89 18.874 -15.069 3.373 1.00 0.74 C ATOM 1289 O ALA A 89 19.407 -15.474 4.407 1.00 0.77 O ATOM 1290 CB ALA A 89 17.440 -13.027 3.619 1.00 0.97 C ATOM 0 H ALA A 89 18.102 -12.816 1.248 1.00 0.77 H new ATOM 0 HA ALA A 89 19.567 -13.057 3.603 1.00 0.81 H new ATOM 0 HB1 ALA A 89 17.370 -13.219 4.690 1.00 0.97 H new ATOM 0 HB2 ALA A 89 17.395 -11.953 3.439 1.00 0.97 H new ATOM 0 HB3 ALA A 89 16.610 -13.516 3.108 1.00 0.97 H new ATOM 1296 N GLN A 90 18.391 -15.882 2.431 1.00 0.73 N ATOM 1297 CA GLN A 90 18.460 -17.336 2.560 1.00 0.79 C ATOM 1298 C GLN A 90 19.918 -17.778 2.538 1.00 0.73 C ATOM 1299 O GLN A 90 20.341 -18.612 3.333 1.00 0.79 O ATOM 1300 CB GLN A 90 17.683 -18.020 1.428 1.00 0.90 C ATOM 1301 CG GLN A 90 17.471 -19.513 1.642 1.00 1.35 C ATOM 1302 CD GLN A 90 18.468 -20.357 0.871 1.00 1.96 C ATOM 1303 OE1 GLN A 90 19.620 -20.608 1.477 1.00 2.38 O flip ATOM 1304 NE2 GLN A 90 18.207 -20.778 -0.256 1.00 2.72 N flip ATOM 0 H GLN A 90 17.948 -15.557 1.572 1.00 0.73 H new ATOM 0 HA GLN A 90 18.006 -17.628 3.507 1.00 0.79 H new ATOM 0 HB2 GLN A 90 16.712 -17.536 1.323 1.00 0.90 H new ATOM 0 HB3 GLN A 90 18.218 -17.869 0.490 1.00 0.90 H new ATOM 0 HG2 GLN A 90 17.553 -19.740 2.705 1.00 1.35 H new ATOM 0 HG3 GLN A 90 16.460 -19.781 1.336 1.00 1.35 H new ATOM 0 HE21 GLN A 90 17.308 -20.561 -0.686 1.00 2.72 H new ATOM 0 HE22 GLN A 90 18.890 -21.344 -0.760 1.00 2.72 H new ATOM 1313 N PHE A 91 20.680 -17.195 1.615 1.00 0.66 N ATOM 1314 CA PHE A 91 22.104 -17.493 1.459 1.00 0.67 C ATOM 1315 C PHE A 91 22.821 -17.347 2.793 1.00 0.67 C ATOM 1316 O PHE A 91 23.496 -18.267 3.259 1.00 0.74 O ATOM 1317 CB PHE A 91 22.696 -16.522 0.426 1.00 0.65 C ATOM 1318 CG PHE A 91 24.061 -16.862 -0.114 1.00 0.66 C ATOM 1319 CD1 PHE A 91 24.392 -18.156 -0.485 1.00 0.93 C ATOM 1320 CD2 PHE A 91 24.998 -15.858 -0.300 1.00 1.03 C ATOM 1321 CE1 PHE A 91 25.633 -18.439 -1.021 1.00 0.92 C ATOM 1322 CE2 PHE A 91 26.233 -16.135 -0.844 1.00 1.19 C ATOM 1323 CZ PHE A 91 26.552 -17.427 -1.205 1.00 0.90 C ATOM 0 H PHE A 91 20.329 -16.503 0.954 1.00 0.66 H new ATOM 0 HA PHE A 91 22.233 -18.520 1.116 1.00 0.67 H new ATOM 0 HB2 PHE A 91 22.004 -16.455 -0.414 1.00 0.65 H new ATOM 0 HB3 PHE A 91 22.746 -15.532 0.878 1.00 0.65 H new ATOM 0 HD1 PHE A 91 23.672 -18.951 -0.354 1.00 0.93 H new ATOM 0 HD2 PHE A 91 24.757 -14.845 -0.015 1.00 1.03 H new ATOM 0 HE1 PHE A 91 25.884 -19.453 -1.296 1.00 0.92 H new ATOM 0 HE2 PHE A 91 26.951 -15.341 -0.988 1.00 1.19 H new ATOM 0 HZ PHE A 91 27.520 -17.646 -1.631 1.00 0.90 H new ATOM 1333 N VAL A 92 22.660 -16.182 3.410 1.00 0.64 N ATOM 1334 CA VAL A 92 23.280 -15.914 4.697 1.00 0.72 C ATOM 1335 C VAL A 92 22.840 -16.956 5.716 1.00 0.77 C ATOM 1336 O VAL A 92 23.666 -17.563 6.394 1.00 0.86 O ATOM 1337 CB VAL A 92 22.921 -14.508 5.223 1.00 0.77 C ATOM 1338 CG1 VAL A 92 23.872 -14.093 6.337 1.00 0.86 C ATOM 1339 CG2 VAL A 92 22.935 -13.491 4.090 1.00 1.37 C ATOM 0 H VAL A 92 22.106 -15.411 3.038 1.00 0.64 H new ATOM 0 HA VAL A 92 24.360 -15.962 4.555 1.00 0.72 H new ATOM 0 HB VAL A 92 21.912 -14.543 5.634 1.00 0.77 H new ATOM 0 HG11 VAL A 92 23.602 -13.099 6.694 1.00 0.86 H new ATOM 0 HG12 VAL A 92 23.802 -14.805 7.159 1.00 0.86 H new ATOM 0 HG13 VAL A 92 24.893 -14.077 5.956 1.00 0.86 H new ATOM 0 HG21 VAL A 92 22.679 -12.506 4.482 1.00 1.37 H new ATOM 0 HG22 VAL A 92 23.929 -13.457 3.644 1.00 1.37 H new ATOM 0 HG23 VAL A 92 22.207 -13.780 3.332 1.00 1.37 H new ATOM 1349 N ASP A 93 21.530 -17.174 5.799 1.00 0.77 N ATOM 1350 CA ASP A 93 20.973 -18.157 6.722 1.00 0.86 C ATOM 1351 C ASP A 93 21.668 -19.504 6.553 1.00 0.91 C ATOM 1352 O ASP A 93 22.115 -20.111 7.525 1.00 1.00 O ATOM 1353 CB ASP A 93 19.462 -18.312 6.501 1.00 0.90 C ATOM 1354 CG ASP A 93 18.995 -19.748 6.657 1.00 1.10 C ATOM 1355 OD1 ASP A 93 18.700 -20.155 7.801 1.00 1.71 O ATOM 1356 OD2 ASP A 93 18.939 -20.470 5.638 1.00 1.55 O ATOM 0 H ASP A 93 20.835 -16.682 5.238 1.00 0.77 H new ATOM 0 HA ASP A 93 21.141 -17.801 7.739 1.00 0.86 H new ATOM 0 HB2 ASP A 93 18.928 -17.681 7.211 1.00 0.90 H new ATOM 0 HB3 ASP A 93 19.206 -17.957 5.503 1.00 0.90 H new ATOM 1361 N HIS A 94 21.771 -19.959 5.310 1.00 0.89 N ATOM 1362 CA HIS A 94 22.416 -21.231 5.018 1.00 0.98 C ATOM 1363 C HIS A 94 23.825 -21.249 5.580 1.00 1.00 C ATOM 1364 O HIS A 94 24.192 -22.145 6.338 1.00 1.12 O ATOM 1365 CB HIS A 94 22.457 -21.469 3.511 1.00 1.00 C ATOM 1366 CG HIS A 94 21.324 -22.305 3.007 1.00 1.35 C ATOM 1367 ND1 HIS A 94 20.053 -22.279 3.540 1.00 2.17 N ATOM 1368 CD2 HIS A 94 21.288 -23.215 2.000 1.00 1.73 C ATOM 1369 CE1 HIS A 94 19.304 -23.155 2.858 1.00 2.46 C ATOM 1370 NE2 HIS A 94 20.005 -23.748 1.912 1.00 2.14 N ATOM 0 H HIS A 94 21.417 -19.466 4.490 1.00 0.89 H new ATOM 0 HA HIS A 94 21.838 -22.027 5.487 1.00 0.98 H new ATOM 0 HB2 HIS A 94 22.444 -20.507 2.999 1.00 1.00 H new ATOM 0 HB3 HIS A 94 23.398 -21.954 3.253 1.00 1.00 H new ATOM 0 HD1 HIS A 94 19.739 -21.696 4.316 1.00 2.17 H new ATOM 0 HD2 HIS A 94 22.122 -23.483 1.368 1.00 1.73 H new ATOM 0 HE1 HIS A 94 18.261 -23.350 3.057 1.00 2.46 H new ATOM 1378 N TRP A 95 24.609 -20.241 5.214 1.00 0.93 N ATOM 1379 CA TRP A 95 25.978 -20.136 5.691 1.00 1.00 C ATOM 1380 C TRP A 95 26.009 -20.156 7.212 1.00 1.06 C ATOM 1381 O TRP A 95 26.827 -20.845 7.814 1.00 1.16 O ATOM 1382 CB TRP A 95 26.627 -18.855 5.161 1.00 0.97 C ATOM 1383 CG TRP A 95 28.112 -18.802 5.370 1.00 1.09 C ATOM 1384 CD1 TRP A 95 28.834 -17.742 5.839 1.00 2.01 C ATOM 1385 CD2 TRP A 95 29.058 -19.851 5.116 1.00 1.04 C ATOM 1386 NE1 TRP A 95 30.167 -18.067 5.890 1.00 1.88 N ATOM 1387 CE2 TRP A 95 30.329 -19.354 5.455 1.00 1.04 C ATOM 1388 CE3 TRP A 95 28.958 -21.162 4.638 1.00 2.03 C ATOM 1389 CZ2 TRP A 95 31.483 -20.119 5.331 1.00 1.13 C ATOM 1390 CZ3 TRP A 95 30.105 -21.917 4.518 1.00 2.64 C ATOM 1391 CH2 TRP A 95 31.353 -21.395 4.862 1.00 2.05 C ATOM 0 H TRP A 95 24.319 -19.488 4.590 1.00 0.93 H new ATOM 0 HA TRP A 95 26.544 -20.991 5.321 1.00 1.00 H new ATOM 0 HB2 TRP A 95 26.415 -18.764 4.096 1.00 0.97 H new ATOM 0 HB3 TRP A 95 26.169 -17.996 5.651 1.00 0.97 H new ATOM 0 HD1 TRP A 95 28.418 -16.788 6.127 1.00 2.01 H new ATOM 0 HE1 TRP A 95 30.916 -17.449 6.202 1.00 1.88 H new ATOM 0 HE3 TRP A 95 27.998 -21.576 4.367 1.00 2.03 H new ATOM 0 HZ2 TRP A 95 32.450 -19.718 5.597 1.00 1.13 H new ATOM 0 HZ3 TRP A 95 30.037 -22.931 4.151 1.00 2.64 H new ATOM 0 HH2 TRP A 95 32.233 -22.012 4.755 1.00 2.05 H new ATOM 1402 N LYS A 96 25.096 -19.411 7.822 1.00 1.03 N ATOM 1403 CA LYS A 96 24.997 -19.354 9.276 1.00 1.12 C ATOM 1404 C LYS A 96 24.931 -20.764 9.861 1.00 1.21 C ATOM 1405 O LYS A 96 25.708 -21.111 10.750 1.00 1.32 O ATOM 1406 CB LYS A 96 23.768 -18.536 9.691 1.00 1.12 C ATOM 1407 CG LYS A 96 23.510 -18.521 11.192 1.00 1.49 C ATOM 1408 CD LYS A 96 22.399 -19.486 11.583 1.00 1.83 C ATOM 1409 CE LYS A 96 21.045 -19.038 11.047 1.00 2.36 C ATOM 1410 NZ LYS A 96 20.520 -19.969 10.010 1.00 2.86 N ATOM 0 H LYS A 96 24.411 -18.836 7.331 1.00 1.03 H new ATOM 0 HA LYS A 96 25.887 -18.863 9.670 1.00 1.12 H new ATOM 0 HB2 LYS A 96 23.893 -17.510 9.344 1.00 1.12 H new ATOM 0 HB3 LYS A 96 22.890 -18.938 9.186 1.00 1.12 H new ATOM 0 HG2 LYS A 96 24.425 -18.786 11.721 1.00 1.49 H new ATOM 0 HG3 LYS A 96 23.242 -17.512 11.505 1.00 1.49 H new ATOM 0 HD2 LYS A 96 22.630 -20.480 11.201 1.00 1.83 H new ATOM 0 HD3 LYS A 96 22.352 -19.565 12.669 1.00 1.83 H new ATOM 0 HE2 LYS A 96 20.333 -18.973 11.870 1.00 2.36 H new ATOM 0 HE3 LYS A 96 21.136 -18.038 10.624 1.00 2.36 H new ATOM 0 HZ1 LYS A 96 19.649 -19.576 9.600 1.00 2.86 H new ATOM 0 HZ2 LYS A 96 21.231 -20.091 9.261 1.00 2.86 H new ATOM 0 HZ3 LYS A 96 20.313 -20.891 10.444 1.00 2.86 H new ATOM 1424 N GLU A 97 24.011 -21.580 9.351 1.00 1.20 N ATOM 1425 CA GLU A 97 23.872 -22.950 9.823 1.00 1.32 C ATOM 1426 C GLU A 97 25.186 -23.702 9.655 1.00 1.36 C ATOM 1427 O GLU A 97 25.652 -24.383 10.570 1.00 1.47 O ATOM 1428 CB GLU A 97 22.760 -23.666 9.055 1.00 1.36 C ATOM 1429 CG GLU A 97 21.418 -22.961 9.125 1.00 1.86 C ATOM 1430 CD GLU A 97 20.745 -23.122 10.475 1.00 2.35 C ATOM 1431 OE1 GLU A 97 21.128 -22.401 11.421 1.00 3.03 O ATOM 1432 OE2 GLU A 97 19.835 -23.969 10.589 1.00 2.68 O ATOM 0 H GLU A 97 23.356 -21.316 8.615 1.00 1.20 H new ATOM 0 HA GLU A 97 23.611 -22.927 10.881 1.00 1.32 H new ATOM 0 HB2 GLU A 97 23.056 -23.762 8.010 1.00 1.36 H new ATOM 0 HB3 GLU A 97 22.651 -24.676 9.449 1.00 1.36 H new ATOM 0 HG2 GLU A 97 21.558 -21.900 8.917 1.00 1.86 H new ATOM 0 HG3 GLU A 97 20.764 -23.355 8.347 1.00 1.86 H new ATOM 1439 N LEU A 98 25.781 -23.569 8.474 1.00 1.31 N ATOM 1440 CA LEU A 98 27.047 -24.229 8.174 1.00 1.37 C ATOM 1441 C LEU A 98 28.097 -23.871 9.221 1.00 1.42 C ATOM 1442 O LEU A 98 28.782 -24.744 9.753 1.00 1.54 O ATOM 1443 CB LEU A 98 27.533 -23.835 6.774 1.00 1.31 C ATOM 1444 CG LEU A 98 27.376 -24.913 5.695 1.00 1.61 C ATOM 1445 CD1 LEU A 98 28.212 -26.140 6.035 1.00 2.38 C ATOM 1446 CD2 LEU A 98 25.911 -25.290 5.518 1.00 2.07 C ATOM 0 H LEU A 98 25.406 -23.009 7.708 1.00 1.31 H new ATOM 0 HA LEU A 98 26.890 -25.307 8.198 1.00 1.37 H new ATOM 0 HB2 LEU A 98 26.989 -22.945 6.456 1.00 1.31 H new ATOM 0 HB3 LEU A 98 28.586 -23.559 6.838 1.00 1.31 H new ATOM 0 HG LEU A 98 27.738 -24.505 4.751 1.00 1.61 H new ATOM 0 HD11 LEU A 98 28.086 -26.893 5.257 1.00 2.38 H new ATOM 0 HD12 LEU A 98 29.263 -25.858 6.100 1.00 2.38 H new ATOM 0 HD13 LEU A 98 27.886 -26.549 6.991 1.00 2.38 H new ATOM 0 HD21 LEU A 98 25.823 -26.056 4.748 1.00 2.07 H new ATOM 0 HD22 LEU A 98 25.518 -25.675 6.459 1.00 2.07 H new ATOM 0 HD23 LEU A 98 25.342 -24.409 5.220 1.00 2.07 H new ATOM 1458 N LYS A 99 28.202 -22.582 9.528 1.00 1.38 N ATOM 1459 CA LYS A 99 29.151 -22.104 10.525 1.00 1.47 C ATOM 1460 C LYS A 99 28.905 -22.792 11.862 1.00 1.60 C ATOM 1461 O LYS A 99 29.821 -23.351 12.462 1.00 1.74 O ATOM 1462 CB LYS A 99 29.030 -20.585 10.686 1.00 1.45 C ATOM 1463 CG LYS A 99 30.111 -19.967 11.564 1.00 1.90 C ATOM 1464 CD LYS A 99 31.315 -19.520 10.748 1.00 2.41 C ATOM 1465 CE LYS A 99 30.956 -18.405 9.777 1.00 3.14 C ATOM 1466 NZ LYS A 99 30.652 -18.928 8.417 1.00 4.07 N ATOM 0 H LYS A 99 27.639 -21.848 9.098 1.00 1.38 H new ATOM 0 HA LYS A 99 30.159 -22.343 10.188 1.00 1.47 H new ATOM 0 HB2 LYS A 99 29.068 -20.121 9.700 1.00 1.45 H new ATOM 0 HB3 LYS A 99 28.054 -20.352 11.111 1.00 1.45 H new ATOM 0 HG2 LYS A 99 29.699 -19.113 12.101 1.00 1.90 H new ATOM 0 HG3 LYS A 99 30.429 -20.692 12.314 1.00 1.90 H new ATOM 0 HD2 LYS A 99 32.103 -19.178 11.419 1.00 2.41 H new ATOM 0 HD3 LYS A 99 31.715 -20.370 10.194 1.00 2.41 H new ATOM 0 HE2 LYS A 99 30.093 -17.857 10.156 1.00 3.14 H new ATOM 0 HE3 LYS A 99 31.782 -17.696 9.717 1.00 3.14 H new ATOM 0 HZ1 LYS A 99 31.293 -18.490 7.725 1.00 4.07 H new ATOM 0 HZ2 LYS A 99 30.783 -19.960 8.405 1.00 4.07 H new ATOM 0 HZ3 LYS A 99 29.668 -18.701 8.170 1.00 4.07 H new ATOM 1480 N GLN A 100 27.656 -22.749 12.318 1.00 1.58 N ATOM 1481 CA GLN A 100 27.279 -23.372 13.583 1.00 1.72 C ATOM 1482 C GLN A 100 27.710 -24.838 13.610 1.00 1.81 C ATOM 1483 O GLN A 100 28.317 -25.296 14.579 1.00 1.95 O ATOM 1484 CB GLN A 100 25.764 -23.233 13.816 1.00 1.71 C ATOM 1485 CG GLN A 100 24.973 -24.529 13.683 1.00 1.93 C ATOM 1486 CD GLN A 100 23.474 -24.297 13.697 1.00 2.66 C ATOM 1487 OE1 GLN A 100 22.833 -24.490 12.552 1.00 3.23 O flip ATOM 1488 NE2 GLN A 100 22.899 -23.947 14.728 1.00 3.33 N flip ATOM 0 H GLN A 100 26.888 -22.289 11.830 1.00 1.58 H new ATOM 0 HA GLN A 100 27.795 -22.858 14.394 1.00 1.72 H new ATOM 0 HB2 GLN A 100 25.600 -22.825 14.814 1.00 1.71 H new ATOM 0 HB3 GLN A 100 25.367 -22.507 13.106 1.00 1.71 H new ATOM 0 HG2 GLN A 100 25.252 -25.028 12.755 1.00 1.93 H new ATOM 0 HG3 GLN A 100 25.241 -25.200 14.499 1.00 1.93 H new ATOM 0 HE21 GLN A 100 23.431 -23.810 15.587 1.00 3.33 H new ATOM 0 HE22 GLN A 100 21.891 -23.794 14.723 1.00 3.33 H new ATOM 1497 N LEU A 101 27.405 -25.567 12.538 1.00 1.77 N ATOM 1498 CA LEU A 101 27.773 -26.975 12.445 1.00 1.89 C ATOM 1499 C LEU A 101 29.282 -27.146 12.589 1.00 1.96 C ATOM 1500 O LEU A 101 29.749 -27.967 13.377 1.00 2.12 O ATOM 1501 CB LEU A 101 27.299 -27.563 11.110 1.00 1.86 C ATOM 1502 CG LEU A 101 26.649 -28.948 11.204 1.00 2.09 C ATOM 1503 CD1 LEU A 101 25.992 -29.321 9.882 1.00 2.56 C ATOM 1504 CD2 LEU A 101 27.677 -29.997 11.606 1.00 2.59 C ATOM 0 H LEU A 101 26.906 -25.206 11.725 1.00 1.77 H new ATOM 0 HA LEU A 101 27.284 -27.512 13.258 1.00 1.89 H new ATOM 0 HB2 LEU A 101 26.585 -26.873 10.660 1.00 1.86 H new ATOM 0 HB3 LEU A 101 28.152 -27.624 10.434 1.00 1.86 H new ATOM 0 HG LEU A 101 25.877 -28.913 11.973 1.00 2.09 H new ATOM 0 HD11 LEU A 101 25.536 -30.307 9.968 1.00 2.56 H new ATOM 0 HD12 LEU A 101 25.225 -28.587 9.637 1.00 2.56 H new ATOM 0 HD13 LEU A 101 26.744 -29.337 9.093 1.00 2.56 H new ATOM 0 HD21 LEU A 101 27.196 -30.973 11.667 1.00 2.59 H new ATOM 0 HD22 LEU A 101 28.473 -30.031 10.862 1.00 2.59 H new ATOM 0 HD23 LEU A 101 28.099 -29.739 12.577 1.00 2.59 H new ATOM 1516 N ALA A 102 30.041 -26.363 11.825 1.00 1.86 N ATOM 1517 CA ALA A 102 31.497 -26.425 11.874 1.00 1.95 C ATOM 1518 C ALA A 102 32.003 -26.204 13.297 1.00 2.09 C ATOM 1519 O ALA A 102 32.867 -26.939 13.781 1.00 2.24 O ATOM 1520 CB ALA A 102 32.103 -25.400 10.926 1.00 1.85 C ATOM 0 H ALA A 102 29.670 -25.679 11.165 1.00 1.86 H new ATOM 0 HA ALA A 102 31.808 -27.420 11.555 1.00 1.95 H new ATOM 0 HB1 ALA A 102 33.190 -25.458 10.974 1.00 1.85 H new ATOM 0 HB2 ALA A 102 31.773 -25.606 9.908 1.00 1.85 H new ATOM 0 HB3 ALA A 102 31.780 -24.400 11.217 1.00 1.85 H new ATOM 1526 N ALA A 103 31.456 -25.191 13.964 1.00 2.07 N ATOM 1527 CA ALA A 103 31.846 -24.879 15.334 1.00 2.24 C ATOM 1528 C ALA A 103 31.628 -26.082 16.242 1.00 2.38 C ATOM 1529 O ALA A 103 32.518 -26.475 16.995 1.00 2.56 O ATOM 1530 CB ALA A 103 31.067 -23.675 15.846 1.00 2.21 C ATOM 0 H ALA A 103 30.742 -24.573 13.578 1.00 2.07 H new ATOM 0 HA ALA A 103 32.908 -24.633 15.342 1.00 2.24 H new ATOM 0 HB1 ALA A 103 31.369 -23.455 16.870 1.00 2.21 H new ATOM 0 HB2 ALA A 103 31.273 -22.812 15.213 1.00 2.21 H new ATOM 0 HB3 ALA A 103 30.000 -23.895 15.822 1.00 2.21 H new ATOM 1536 N ALA A 104 30.437 -26.669 16.159 1.00 2.34 N ATOM 1537 CA ALA A 104 30.105 -27.834 16.965 1.00 2.50 C ATOM 1538 C ALA A 104 31.127 -28.943 16.739 1.00 2.58 C ATOM 1539 O ALA A 104 31.672 -29.505 17.689 1.00 2.74 O ATOM 1540 CB ALA A 104 28.703 -28.324 16.634 1.00 2.48 C ATOM 0 H ALA A 104 29.688 -26.355 15.541 1.00 2.34 H new ATOM 0 HA ALA A 104 30.131 -27.550 18.017 1.00 2.50 H new ATOM 0 HB1 ALA A 104 28.469 -29.196 17.245 1.00 2.48 H new ATOM 0 HB2 ALA A 104 27.983 -27.532 16.840 1.00 2.48 H new ATOM 0 HB3 ALA A 104 28.652 -28.595 15.580 1.00 2.48 H new ATOM 1546 N ARG A 105 31.392 -29.237 15.468 1.00 2.50 N ATOM 1547 CA ARG A 105 32.355 -30.269 15.100 1.00 2.60 C ATOM 1548 C ARG A 105 33.698 -30.023 15.780 1.00 2.72 C ATOM 1549 O ARG A 105 34.274 -30.931 16.381 1.00 2.88 O ATOM 1550 CB ARG A 105 32.533 -30.311 13.578 1.00 2.49 C ATOM 1551 CG ARG A 105 33.270 -31.547 13.079 1.00 2.62 C ATOM 1552 CD ARG A 105 32.559 -32.829 13.485 1.00 2.76 C ATOM 1553 NE ARG A 105 33.038 -33.334 14.769 1.00 3.19 N ATOM 1554 CZ ARG A 105 32.333 -34.139 15.561 1.00 3.86 C ATOM 1555 NH1 ARG A 105 31.113 -34.523 15.214 1.00 4.39 N ATOM 1556 NH2 ARG A 105 32.848 -34.560 16.705 1.00 4.42 N ATOM 0 H ARG A 105 30.951 -28.773 14.674 1.00 2.50 H new ATOM 0 HA ARG A 105 31.970 -31.231 15.437 1.00 2.60 H new ATOM 0 HB2 ARG A 105 31.552 -30.269 13.106 1.00 2.49 H new ATOM 0 HB3 ARG A 105 33.078 -29.422 13.261 1.00 2.49 H new ATOM 0 HG2 ARG A 105 33.355 -31.506 11.993 1.00 2.62 H new ATOM 0 HG3 ARG A 105 34.284 -31.552 13.478 1.00 2.62 H new ATOM 0 HD2 ARG A 105 31.486 -32.646 13.544 1.00 2.76 H new ATOM 0 HD3 ARG A 105 32.711 -33.587 12.717 1.00 2.76 H new ATOM 0 HE ARG A 105 33.969 -33.053 15.077 1.00 3.19 H new ATOM 0 HH11 ARG A 105 30.708 -34.202 14.335 1.00 4.39 H new ATOM 0 HH12 ARG A 105 30.579 -35.140 15.826 1.00 4.39 H new ATOM 0 HH21 ARG A 105 33.786 -34.268 16.980 1.00 4.42 H new ATOM 0 HH22 ARG A 105 32.307 -35.177 17.311 1.00 4.42 H new ATOM 1570 N GLY A 106 34.188 -28.787 15.685 1.00 2.67 N ATOM 1571 CA GLY A 106 35.458 -28.439 16.298 1.00 2.83 C ATOM 1572 C GLY A 106 35.480 -28.734 17.785 1.00 3.06 C ATOM 1573 O GLY A 106 36.451 -29.289 18.302 1.00 3.27 O ATOM 0 H GLY A 106 33.727 -28.021 15.194 1.00 2.67 H new ATOM 0 HA2 GLY A 106 36.259 -28.993 15.808 1.00 2.83 H new ATOM 0 HA3 GLY A 106 35.658 -27.380 16.137 1.00 2.83 H new ATOM 1577 N GLN A 107 34.403 -28.364 18.472 1.00 3.06 N ATOM 1578 CA GLN A 107 34.290 -28.590 19.911 1.00 3.32 C ATOM 1579 C GLN A 107 33.982 -30.055 20.213 1.00 3.48 C ATOM 1580 O GLN A 107 34.193 -30.522 21.331 1.00 3.75 O ATOM 1581 CB GLN A 107 33.202 -27.692 20.504 1.00 3.32 C ATOM 1582 CG GLN A 107 33.697 -26.309 20.897 1.00 3.59 C ATOM 1583 CD GLN A 107 34.298 -25.548 19.730 1.00 3.56 C ATOM 1584 OE1 GLN A 107 33.586 -24.899 18.966 1.00 3.65 O ATOM 1585 NE2 GLN A 107 35.616 -25.629 19.586 1.00 4.07 N ATOM 0 H GLN A 107 33.593 -27.905 18.055 1.00 3.06 H new ATOM 0 HA GLN A 107 35.247 -28.340 20.369 1.00 3.32 H new ATOM 0 HB2 GLN A 107 32.395 -27.587 19.779 1.00 3.32 H new ATOM 0 HB3 GLN A 107 32.779 -28.180 21.382 1.00 3.32 H new ATOM 0 HG2 GLN A 107 32.868 -25.735 21.311 1.00 3.59 H new ATOM 0 HG3 GLN A 107 34.443 -26.405 21.686 1.00 3.59 H new ATOM 0 HE21 GLN A 107 36.168 -26.179 20.244 1.00 4.07 H new ATOM 0 HE22 GLN A 107 36.076 -25.141 18.818 1.00 4.07 H new