USER MOD reduce.3.24.130724 H: found=0, std=0, add=724, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 724 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 23 SER OG : rot -123:sc= 1.25 USER MOD Set 1.2: A 26 SER OG : rot -89:sc= 2.2 USER MOD Set 1.3: A 48 THR OG1 : rot -51:sc= 0.996 USER MOD Single : A 1 MET CE :methyl 164:sc= -0.0283 (180deg=-0.304) USER MOD Single : A 1 MET N :NH3+ 154:sc= 1.27 (180deg=0.432) USER MOD Single : A 3 SER OG : rot 180:sc= 0.00174 USER MOD Single : A 8 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.042) USER MOD Single : A 10 GLN : amide:sc= 0.0334 K(o=0.033,f=-0.47) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 GLN : amide:sc= -0.483 X(o=-0.48,f=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 GLN : amide:sc= -0.757 X(o=-0.76,f=-0.4) USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ -110:sc= 0.872 (180deg=-0.506) USER MOD Single : A 29 GLN : amide:sc= -0.0144 X(o=-0.014,f=0) USER MOD Single : A 34 GLN : amide:sc= -0.0626 X(o=-0.063,f=-0.27) USER MOD Single : A 35 LYS NZ :NH3+ 149:sc= 0.627 (180deg=0.208) USER MOD Single : A 36 GLN : amide:sc= -0.0338 X(o=-0.034,f=-0.32) USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -0.266 X(o=-0.27,f=-0.41) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ -150:sc= 0.704 (180deg=0.253) USER MOD Single : A 54 ASN :FLIP amide:sc= -0.693 F(o=-2!,f=-0.69) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= -0.0304 USER MOD Single : A 62 GLN :FLIP amide:sc= -1.03 F(o=-2,f=-1) USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot 111:sc= 0.444 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 97:sc= 0.357 USER MOD Single : A 80 HIS : no HD1:sc= 0 X(o=0,f=-0.018) USER MOD Single : A 81 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 82 HIS : no HE2:sc= -0.155 K(o=-0.15,f=-2.2!) USER MOD Single : A 83 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 84 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 85 HIS : no HD1:sc= -0.0424 X(o=-0.042,f=-0.45) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -23.769 -5.072 7.274 1.00 30.32 N ATOM 2 CA MET A 1 -22.759 -4.678 8.285 1.00 13.10 C ATOM 3 C MET A 1 -21.973 -3.441 7.787 1.00 64.22 C ATOM 4 O MET A 1 -21.869 -3.236 6.569 1.00 65.03 O ATOM 5 CB MET A 1 -21.789 -5.866 8.565 1.00 13.15 C ATOM 6 CG MET A 1 -22.469 -7.157 9.062 1.00 23.32 C ATOM 7 SD MET A 1 -23.487 -7.955 7.791 1.00 51.32 S ATOM 8 CE MET A 1 -22.251 -8.509 6.611 1.00 21.40 C ATOM 0 H1 MET A 1 -23.977 -6.087 7.368 1.00 30.32 H new ATOM 0 H2 MET A 1 -24.641 -4.525 7.423 1.00 30.32 H new ATOM 0 H3 MET A 1 -23.399 -4.881 6.321 1.00 30.32 H new ATOM 0 HA MET A 1 -23.265 -4.420 9.215 1.00 13.10 H new ATOM 0 HB2 MET A 1 -21.240 -6.091 7.651 1.00 13.15 H new ATOM 0 HB3 MET A 1 -21.056 -5.550 9.307 1.00 13.15 H new ATOM 0 HG2 MET A 1 -21.705 -7.857 9.400 1.00 23.32 H new ATOM 0 HG3 MET A 1 -23.092 -6.924 9.925 1.00 23.32 H new ATOM 0 HE1 MET A 1 -22.692 -9.247 5.941 1.00 21.40 H new ATOM 0 HE2 MET A 1 -21.896 -7.658 6.030 1.00 21.40 H new ATOM 0 HE3 MET A 1 -21.414 -8.959 7.145 1.00 21.40 H new ATOM 20 N PRO A 2 -21.436 -2.573 8.712 1.00 73.14 N ATOM 21 CA PRO A 2 -20.494 -1.488 8.338 1.00 72.14 C ATOM 22 C PRO A 2 -19.206 -2.046 7.692 1.00 3.51 C ATOM 23 O PRO A 2 -18.407 -2.714 8.354 1.00 55.32 O ATOM 24 CB PRO A 2 -20.190 -0.777 9.691 1.00 55.34 C ATOM 25 CG PRO A 2 -21.341 -1.137 10.582 1.00 44.20 C ATOM 26 CD PRO A 2 -21.737 -2.541 10.172 1.00 35.23 C ATOM 0 HA PRO A 2 -20.913 -0.813 7.592 1.00 72.14 H new ATOM 0 HB2 PRO A 2 -19.243 -1.116 10.112 1.00 55.34 H new ATOM 0 HB3 PRO A 2 -20.113 0.303 9.562 1.00 55.34 H new ATOM 0 HG2 PRO A 2 -21.052 -1.100 11.632 1.00 44.20 H new ATOM 0 HG3 PRO A 2 -22.170 -0.441 10.455 1.00 44.20 H new ATOM 0 HD2 PRO A 2 -21.167 -3.294 10.716 1.00 35.23 H new ATOM 0 HD3 PRO A 2 -22.791 -2.735 10.369 1.00 35.23 H new ATOM 34 N SER A 3 -19.014 -1.768 6.394 1.00 4.34 N ATOM 35 CA SER A 3 -17.852 -2.257 5.614 1.00 14.24 C ATOM 36 C SER A 3 -16.668 -1.270 5.685 1.00 14.15 C ATOM 37 O SER A 3 -15.838 -1.197 4.764 1.00 13.04 O ATOM 38 CB SER A 3 -18.289 -2.496 4.154 1.00 53.23 C ATOM 39 OG SER A 3 -18.889 -1.338 3.603 1.00 21.12 O ATOM 0 H SER A 3 -19.659 -1.196 5.848 1.00 4.34 H new ATOM 0 HA SER A 3 -17.506 -3.196 6.046 1.00 14.24 H new ATOM 0 HB2 SER A 3 -17.424 -2.781 3.555 1.00 53.23 H new ATOM 0 HB3 SER A 3 -18.993 -3.328 4.114 1.00 53.23 H new ATOM 0 HG SER A 3 -19.155 -1.517 2.677 1.00 21.12 H new ATOM 45 N GLU A 4 -16.567 -0.575 6.829 1.00 61.31 N ATOM 46 CA GLU A 4 -15.605 0.511 7.047 1.00 41.32 C ATOM 47 C GLU A 4 -14.191 -0.076 7.185 1.00 52.45 C ATOM 48 O GLU A 4 -13.247 0.404 6.568 1.00 13.30 O ATOM 49 CB GLU A 4 -15.996 1.344 8.318 1.00 55.24 C ATOM 50 CG GLU A 4 -17.513 1.605 8.504 1.00 2.32 C ATOM 51 CD GLU A 4 -18.213 2.112 7.235 1.00 1.40 C ATOM 52 OE1 GLU A 4 -18.016 3.286 6.864 1.00 63.33 O ATOM 53 OE2 GLU A 4 -18.965 1.338 6.608 1.00 43.43 O ATOM 0 H GLU A 4 -17.161 -0.756 7.638 1.00 61.31 H new ATOM 0 HA GLU A 4 -15.622 1.185 6.191 1.00 41.32 H new ATOM 0 HB2 GLU A 4 -15.624 0.824 9.201 1.00 55.24 H new ATOM 0 HB3 GLU A 4 -15.483 2.304 8.274 1.00 55.24 H new ATOM 0 HG2 GLU A 4 -17.994 0.683 8.830 1.00 2.32 H new ATOM 0 HG3 GLU A 4 -17.652 2.335 9.301 1.00 2.32 H new ATOM 60 N GLU A 5 -14.085 -1.147 7.997 1.00 25.31 N ATOM 61 CA GLU A 5 -12.833 -1.898 8.204 1.00 35.21 C ATOM 62 C GLU A 5 -12.448 -2.680 6.939 1.00 25.20 C ATOM 63 O GLU A 5 -11.261 -2.816 6.625 1.00 5.32 O ATOM 64 CB GLU A 5 -12.989 -2.870 9.402 1.00 22.23 C ATOM 65 CG GLU A 5 -11.717 -3.674 9.754 1.00 42.45 C ATOM 66 CD GLU A 5 -11.927 -4.621 10.942 1.00 64.14 C ATOM 67 OE1 GLU A 5 -12.411 -5.754 10.727 1.00 75.41 O ATOM 68 OE2 GLU A 5 -11.638 -4.230 12.097 1.00 32.05 O ATOM 0 H GLU A 5 -14.872 -1.517 8.531 1.00 25.31 H new ATOM 0 HA GLU A 5 -12.038 -1.185 8.422 1.00 35.21 H new ATOM 0 HB2 GLU A 5 -13.295 -2.298 10.278 1.00 22.23 H new ATOM 0 HB3 GLU A 5 -13.795 -3.570 9.181 1.00 22.23 H new ATOM 0 HG2 GLU A 5 -11.405 -4.252 8.884 1.00 42.45 H new ATOM 0 HG3 GLU A 5 -10.907 -2.982 9.984 1.00 42.45 H new ATOM 75 N GLU A 6 -13.485 -3.158 6.204 1.00 74.43 N ATOM 76 CA GLU A 6 -13.322 -3.992 4.995 1.00 64.22 C ATOM 77 C GLU A 6 -12.471 -3.284 3.927 1.00 73.02 C ATOM 78 O GLU A 6 -11.697 -3.928 3.225 1.00 2.32 O ATOM 79 CB GLU A 6 -14.700 -4.359 4.397 1.00 74.13 C ATOM 80 CG GLU A 6 -15.621 -5.147 5.341 1.00 5.43 C ATOM 81 CD GLU A 6 -14.966 -6.424 5.885 1.00 41.30 C ATOM 82 OE1 GLU A 6 -14.590 -6.463 7.070 1.00 34.11 O ATOM 83 OE2 GLU A 6 -14.812 -7.399 5.114 1.00 74.34 O ATOM 0 H GLU A 6 -14.460 -2.972 6.438 1.00 74.43 H new ATOM 0 HA GLU A 6 -12.804 -4.902 5.299 1.00 64.22 H new ATOM 0 HB2 GLU A 6 -15.207 -3.441 4.099 1.00 74.13 H new ATOM 0 HB3 GLU A 6 -14.543 -4.945 3.492 1.00 74.13 H new ATOM 0 HG2 GLU A 6 -15.909 -4.508 6.176 1.00 5.43 H new ATOM 0 HG3 GLU A 6 -16.536 -5.411 4.811 1.00 5.43 H new ATOM 90 N GLU A 7 -12.648 -1.944 3.838 1.00 33.12 N ATOM 91 CA GLU A 7 -11.867 -1.060 2.948 1.00 72.41 C ATOM 92 C GLU A 7 -10.367 -1.275 3.163 1.00 53.12 C ATOM 93 O GLU A 7 -9.658 -1.600 2.227 1.00 61.55 O ATOM 94 CB GLU A 7 -12.214 0.422 3.217 1.00 14.33 C ATOM 95 CG GLU A 7 -13.696 0.754 3.071 1.00 52.11 C ATOM 96 CD GLU A 7 -13.986 2.216 3.409 1.00 53.10 C ATOM 97 OE1 GLU A 7 -14.326 3.002 2.497 1.00 21.42 O ATOM 98 OE2 GLU A 7 -13.832 2.595 4.591 1.00 21.43 O ATOM 0 H GLU A 7 -13.345 -1.444 4.389 1.00 33.12 H new ATOM 0 HA GLU A 7 -12.122 -1.307 1.918 1.00 72.41 H new ATOM 0 HB2 GLU A 7 -11.893 0.681 4.226 1.00 14.33 H new ATOM 0 HB3 GLU A 7 -11.644 1.047 2.530 1.00 14.33 H new ATOM 0 HG2 GLU A 7 -14.016 0.547 2.050 1.00 52.11 H new ATOM 0 HG3 GLU A 7 -14.280 0.107 3.726 1.00 52.11 H new ATOM 105 N LYS A 8 -9.949 -1.181 4.444 1.00 3.40 N ATOM 106 CA LYS A 8 -8.532 -1.264 4.861 1.00 41.32 C ATOM 107 C LYS A 8 -7.970 -2.644 4.496 1.00 70.11 C ATOM 108 O LYS A 8 -6.869 -2.745 3.970 1.00 64.42 O ATOM 109 CB LYS A 8 -8.347 -1.017 6.403 1.00 65.52 C ATOM 110 CG LYS A 8 -8.690 0.417 6.906 1.00 53.35 C ATOM 111 CD LYS A 8 -10.197 0.761 6.801 1.00 53.44 C ATOM 112 CE LYS A 8 -10.566 2.130 7.384 1.00 33.10 C ATOM 113 NZ LYS A 8 -10.326 2.205 8.841 1.00 3.45 N ATOM 0 H LYS A 8 -10.591 -1.044 5.225 1.00 3.40 H new ATOM 0 HA LYS A 8 -7.990 -0.479 4.334 1.00 41.32 H new ATOM 0 HB2 LYS A 8 -8.970 -1.730 6.943 1.00 65.52 H new ATOM 0 HB3 LYS A 8 -7.312 -1.236 6.665 1.00 65.52 H new ATOM 0 HG2 LYS A 8 -8.374 0.515 7.945 1.00 53.35 H new ATOM 0 HG3 LYS A 8 -8.118 1.143 6.329 1.00 53.35 H new ATOM 0 HD2 LYS A 8 -10.494 0.732 5.753 1.00 53.44 H new ATOM 0 HD3 LYS A 8 -10.772 -0.009 7.316 1.00 53.44 H new ATOM 0 HE2 LYS A 8 -9.985 2.904 6.882 1.00 33.10 H new ATOM 0 HE3 LYS A 8 -11.617 2.338 7.180 1.00 33.10 H new ATOM 0 HZ1 LYS A 8 -10.684 3.111 9.206 1.00 3.45 H new ATOM 0 HZ2 LYS A 8 -10.819 1.422 9.315 1.00 3.45 H new ATOM 0 HZ3 LYS A 8 -9.305 2.136 9.029 1.00 3.45 H new ATOM 127 N ARG A 9 -8.791 -3.687 4.748 1.00 34.52 N ATOM 128 CA ARG A 9 -8.445 -5.100 4.479 1.00 70.34 C ATOM 129 C ARG A 9 -8.144 -5.309 2.977 1.00 75.42 C ATOM 130 O ARG A 9 -7.157 -5.962 2.614 1.00 41.02 O ATOM 131 CB ARG A 9 -9.604 -6.027 4.956 1.00 65.41 C ATOM 132 CG ARG A 9 -9.977 -5.843 6.449 1.00 53.35 C ATOM 133 CD ARG A 9 -11.168 -6.709 6.896 1.00 30.12 C ATOM 134 NE ARG A 9 -10.843 -8.148 6.923 1.00 0.31 N ATOM 135 CZ ARG A 9 -11.719 -9.137 7.167 1.00 71.52 C ATOM 136 NH1 ARG A 9 -13.003 -8.885 7.398 1.00 42.20 N ATOM 137 NH2 ARG A 9 -11.291 -10.384 7.222 1.00 4.14 N ATOM 0 H ARG A 9 -9.722 -3.570 5.148 1.00 34.52 H new ATOM 0 HA ARG A 9 -7.544 -5.359 5.036 1.00 70.34 H new ATOM 0 HB2 ARG A 9 -10.486 -5.835 4.344 1.00 65.41 H new ATOM 0 HB3 ARG A 9 -9.319 -7.066 4.787 1.00 65.41 H new ATOM 0 HG2 ARG A 9 -9.111 -6.086 7.064 1.00 53.35 H new ATOM 0 HG3 ARG A 9 -10.213 -4.794 6.630 1.00 53.35 H new ATOM 0 HD2 ARG A 9 -11.490 -6.394 7.889 1.00 30.12 H new ATOM 0 HD3 ARG A 9 -12.008 -6.542 6.221 1.00 30.12 H new ATOM 0 HE ARG A 9 -9.875 -8.413 6.742 1.00 0.31 H new ATOM 0 HH11 ARG A 9 -13.343 -7.923 7.393 1.00 42.20 H new ATOM 0 HH12 ARG A 9 -13.649 -9.653 7.581 1.00 42.20 H new ATOM 0 HH21 ARG A 9 -10.302 -10.591 7.080 1.00 4.14 H new ATOM 0 HH22 ARG A 9 -11.949 -11.141 7.407 1.00 4.14 H new ATOM 151 N GLN A 10 -8.986 -4.688 2.126 1.00 34.50 N ATOM 152 CA GLN A 10 -8.847 -4.711 0.653 1.00 54.54 C ATOM 153 C GLN A 10 -7.581 -3.962 0.211 1.00 63.32 C ATOM 154 O GLN A 10 -6.766 -4.498 -0.538 1.00 3.41 O ATOM 155 CB GLN A 10 -10.101 -4.072 -0.015 1.00 41.02 C ATOM 156 CG GLN A 10 -11.413 -4.844 0.238 1.00 40.43 C ATOM 157 CD GLN A 10 -12.675 -4.031 -0.064 1.00 23.34 C ATOM 158 OE1 GLN A 10 -12.687 -3.163 -0.933 1.00 20.51 O ATOM 159 NE2 GLN A 10 -13.746 -4.292 0.666 1.00 53.13 N ATOM 0 H GLN A 10 -9.792 -4.150 2.445 1.00 34.50 H new ATOM 0 HA GLN A 10 -8.762 -5.750 0.336 1.00 54.54 H new ATOM 0 HB2 GLN A 10 -10.215 -3.052 0.353 1.00 41.02 H new ATOM 0 HB3 GLN A 10 -9.933 -4.006 -1.090 1.00 41.02 H new ATOM 0 HG2 GLN A 10 -11.417 -5.746 -0.375 1.00 40.43 H new ATOM 0 HG3 GLN A 10 -11.440 -5.166 1.279 1.00 40.43 H new ATOM 0 HE21 GLN A 10 -13.711 -5.018 1.382 1.00 53.13 H new ATOM 0 HE22 GLN A 10 -14.607 -3.768 0.513 1.00 53.13 H new ATOM 168 N VAL A 11 -7.424 -2.734 0.736 1.00 73.32 N ATOM 169 CA VAL A 11 -6.394 -1.775 0.297 1.00 12.34 C ATOM 170 C VAL A 11 -4.971 -2.249 0.652 1.00 71.45 C ATOM 171 O VAL A 11 -4.044 -2.012 -0.118 1.00 73.11 O ATOM 172 CB VAL A 11 -6.668 -0.343 0.900 1.00 61.25 C ATOM 173 CG1 VAL A 11 -5.545 0.651 0.561 1.00 25.42 C ATOM 174 CG2 VAL A 11 -8.014 0.210 0.399 1.00 75.12 C ATOM 0 H VAL A 11 -8.015 -2.375 1.486 1.00 73.32 H new ATOM 0 HA VAL A 11 -6.455 -1.715 -0.790 1.00 12.34 H new ATOM 0 HB VAL A 11 -6.702 -0.458 1.983 1.00 61.25 H new ATOM 0 HG11 VAL A 11 -5.776 1.623 0.996 1.00 25.42 H new ATOM 0 HG12 VAL A 11 -4.602 0.286 0.967 1.00 25.42 H new ATOM 0 HG13 VAL A 11 -5.460 0.749 -0.521 1.00 25.42 H new ATOM 0 HG21 VAL A 11 -8.183 1.198 0.827 1.00 75.12 H new ATOM 0 HG22 VAL A 11 -7.995 0.284 -0.688 1.00 75.12 H new ATOM 0 HG23 VAL A 11 -8.818 -0.460 0.703 1.00 75.12 H new ATOM 184 N LYS A 12 -4.815 -2.923 1.810 1.00 42.31 N ATOM 185 CA LYS A 12 -3.518 -3.501 2.231 1.00 2.23 C ATOM 186 C LYS A 12 -3.036 -4.542 1.210 1.00 5.41 C ATOM 187 O LYS A 12 -1.837 -4.650 0.939 1.00 0.12 O ATOM 188 CB LYS A 12 -3.629 -4.148 3.635 1.00 52.04 C ATOM 189 CG LYS A 12 -3.914 -3.147 4.771 1.00 52.02 C ATOM 190 CD LYS A 12 -4.007 -3.824 6.160 1.00 13.14 C ATOM 191 CE LYS A 12 -5.136 -4.862 6.254 1.00 72.41 C ATOM 192 NZ LYS A 12 -5.180 -5.511 7.587 1.00 71.42 N ATOM 0 H LYS A 12 -5.573 -3.082 2.474 1.00 42.31 H new ATOM 0 HA LYS A 12 -2.790 -2.691 2.281 1.00 2.23 H new ATOM 0 HB2 LYS A 12 -4.422 -4.895 3.617 1.00 52.04 H new ATOM 0 HB3 LYS A 12 -2.700 -4.675 3.854 1.00 52.04 H new ATOM 0 HG2 LYS A 12 -3.126 -2.394 4.791 1.00 52.02 H new ATOM 0 HG3 LYS A 12 -4.848 -2.625 4.563 1.00 52.02 H new ATOM 0 HD2 LYS A 12 -3.057 -4.309 6.385 1.00 13.14 H new ATOM 0 HD3 LYS A 12 -4.162 -3.058 6.920 1.00 13.14 H new ATOM 0 HE2 LYS A 12 -6.092 -4.378 6.054 1.00 72.41 H new ATOM 0 HE3 LYS A 12 -4.996 -5.621 5.485 1.00 72.41 H new ATOM 0 HZ1 LYS A 12 -5.955 -6.204 7.610 1.00 71.42 H new ATOM 0 HZ2 LYS A 12 -4.277 -5.995 7.768 1.00 71.42 H new ATOM 0 HZ3 LYS A 12 -5.339 -4.790 8.319 1.00 71.42 H new ATOM 206 N GLN A 13 -4.006 -5.293 0.646 1.00 23.23 N ATOM 207 CA GLN A 13 -3.745 -6.278 -0.409 1.00 64.53 C ATOM 208 C GLN A 13 -3.396 -5.559 -1.731 1.00 71.23 C ATOM 209 O GLN A 13 -2.374 -5.862 -2.335 1.00 22.25 O ATOM 210 CB GLN A 13 -4.959 -7.220 -0.595 1.00 53.24 C ATOM 211 CG GLN A 13 -4.775 -8.287 -1.695 1.00 4.14 C ATOM 212 CD GLN A 13 -5.970 -9.226 -1.871 1.00 22.21 C ATOM 213 OE1 GLN A 13 -5.804 -10.403 -2.209 1.00 23.45 O ATOM 214 NE2 GLN A 13 -7.181 -8.723 -1.687 1.00 10.33 N ATOM 0 H GLN A 13 -4.988 -5.229 0.913 1.00 23.23 H new ATOM 0 HA GLN A 13 -2.893 -6.889 -0.112 1.00 64.53 H new ATOM 0 HB2 GLN A 13 -5.162 -7.722 0.351 1.00 53.24 H new ATOM 0 HB3 GLN A 13 -5.837 -6.619 -0.832 1.00 53.24 H new ATOM 0 HG2 GLN A 13 -4.581 -7.785 -2.643 1.00 4.14 H new ATOM 0 HG3 GLN A 13 -3.892 -8.882 -1.463 1.00 4.14 H new ATOM 0 HE21 GLN A 13 -7.291 -7.748 -1.408 1.00 10.33 H new ATOM 0 HE22 GLN A 13 -8.003 -9.310 -1.824 1.00 10.33 H new ATOM 223 N VAL A 14 -4.232 -4.568 -2.132 1.00 11.34 N ATOM 224 CA VAL A 14 -4.034 -3.785 -3.382 1.00 54.44 C ATOM 225 C VAL A 14 -2.630 -3.139 -3.399 1.00 10.22 C ATOM 226 O VAL A 14 -1.934 -3.161 -4.413 1.00 55.23 O ATOM 227 CB VAL A 14 -5.144 -2.660 -3.546 1.00 32.12 C ATOM 228 CG1 VAL A 14 -4.943 -1.826 -4.842 1.00 61.14 C ATOM 229 CG2 VAL A 14 -6.574 -3.262 -3.507 1.00 11.22 C ATOM 0 H VAL A 14 -5.058 -4.289 -1.603 1.00 11.34 H new ATOM 0 HA VAL A 14 -4.123 -4.477 -4.219 1.00 54.44 H new ATOM 0 HB VAL A 14 -5.031 -1.986 -2.696 1.00 32.12 H new ATOM 0 HG11 VAL A 14 -5.724 -1.069 -4.913 1.00 61.14 H new ATOM 0 HG12 VAL A 14 -3.968 -1.339 -4.814 1.00 61.14 H new ATOM 0 HG13 VAL A 14 -4.995 -2.484 -5.710 1.00 61.14 H new ATOM 0 HG21 VAL A 14 -7.308 -2.464 -3.622 1.00 11.22 H new ATOM 0 HG22 VAL A 14 -6.689 -3.980 -4.319 1.00 11.22 H new ATOM 0 HG23 VAL A 14 -6.731 -3.765 -2.553 1.00 11.22 H new ATOM 239 N ALA A 15 -2.224 -2.641 -2.223 1.00 45.01 N ATOM 240 CA ALA A 15 -0.963 -1.920 -2.014 1.00 74.34 C ATOM 241 C ALA A 15 0.255 -2.860 -2.110 1.00 54.32 C ATOM 242 O ALA A 15 1.234 -2.553 -2.816 1.00 51.50 O ATOM 243 CB ALA A 15 -0.998 -1.217 -0.645 1.00 50.31 C ATOM 0 H ALA A 15 -2.777 -2.731 -1.371 1.00 45.01 H new ATOM 0 HA ALA A 15 -0.857 -1.176 -2.804 1.00 74.34 H new ATOM 0 HB1 ALA A 15 -0.062 -0.681 -0.487 1.00 50.31 H new ATOM 0 HB2 ALA A 15 -1.829 -0.512 -0.619 1.00 50.31 H new ATOM 0 HB3 ALA A 15 -1.128 -1.960 0.142 1.00 50.31 H new ATOM 249 N LYS A 16 0.172 -4.020 -1.409 1.00 64.24 N ATOM 250 CA LYS A 16 1.288 -4.982 -1.332 1.00 62.31 C ATOM 251 C LYS A 16 1.555 -5.615 -2.705 1.00 64.35 C ATOM 252 O LYS A 16 2.706 -5.882 -3.035 1.00 72.01 O ATOM 253 CB LYS A 16 1.039 -6.085 -0.258 1.00 50.04 C ATOM 254 CG LYS A 16 -0.074 -7.106 -0.588 1.00 72.40 C ATOM 255 CD LYS A 16 -0.200 -8.246 0.450 1.00 61.03 C ATOM 256 CE LYS A 16 1.032 -9.178 0.479 1.00 32.13 C ATOM 257 NZ LYS A 16 0.845 -10.319 1.417 1.00 54.43 N ATOM 0 H LYS A 16 -0.659 -4.306 -0.891 1.00 64.24 H new ATOM 0 HA LYS A 16 2.173 -4.425 -1.025 1.00 62.31 H new ATOM 0 HB2 LYS A 16 1.970 -6.629 -0.101 1.00 50.04 H new ATOM 0 HB3 LYS A 16 0.791 -5.598 0.685 1.00 50.04 H new ATOM 0 HG2 LYS A 16 -1.027 -6.582 -0.656 1.00 72.40 H new ATOM 0 HG3 LYS A 16 0.122 -7.540 -1.569 1.00 72.40 H new ATOM 0 HD2 LYS A 16 -0.344 -7.814 1.440 1.00 61.03 H new ATOM 0 HD3 LYS A 16 -1.089 -8.836 0.227 1.00 61.03 H new ATOM 0 HE2 LYS A 16 1.221 -9.560 -0.524 1.00 32.13 H new ATOM 0 HE3 LYS A 16 1.912 -8.607 0.774 1.00 32.13 H new ATOM 0 HZ1 LYS A 16 1.694 -10.920 1.407 1.00 54.43 H new ATOM 0 HZ2 LYS A 16 0.690 -9.956 2.379 1.00 54.43 H new ATOM 0 HZ3 LYS A 16 0.020 -10.880 1.122 1.00 54.43 H new ATOM 271 N GLU A 17 0.469 -5.815 -3.499 1.00 35.04 N ATOM 272 CA GLU A 17 0.547 -6.396 -4.854 1.00 24.43 C ATOM 273 C GLU A 17 1.400 -5.520 -5.765 1.00 3.20 C ATOM 274 O GLU A 17 2.203 -6.038 -6.531 1.00 51.35 O ATOM 275 CB GLU A 17 -0.861 -6.582 -5.486 1.00 30.55 C ATOM 276 CG GLU A 17 -1.734 -7.636 -4.790 1.00 5.11 C ATOM 277 CD GLU A 17 -3.092 -7.828 -5.468 1.00 71.22 C ATOM 278 OE1 GLU A 17 -3.322 -8.892 -6.096 1.00 52.02 O ATOM 279 OE2 GLU A 17 -3.919 -6.899 -5.406 1.00 4.42 O ATOM 0 H GLU A 17 -0.480 -5.576 -3.212 1.00 35.04 H new ATOM 0 HA GLU A 17 1.009 -7.378 -4.754 1.00 24.43 H new ATOM 0 HB2 GLU A 17 -1.383 -5.626 -5.468 1.00 30.55 H new ATOM 0 HB3 GLU A 17 -0.742 -6.860 -6.533 1.00 30.55 H new ATOM 0 HG2 GLU A 17 -1.203 -8.588 -4.776 1.00 5.11 H new ATOM 0 HG3 GLU A 17 -1.890 -7.343 -3.752 1.00 5.11 H new ATOM 286 N LYS A 18 1.224 -4.184 -5.650 1.00 30.13 N ATOM 287 CA LYS A 18 1.952 -3.210 -6.490 1.00 1.14 C ATOM 288 C LYS A 18 3.446 -3.199 -6.142 1.00 60.53 C ATOM 289 O LYS A 18 4.286 -3.002 -7.016 1.00 51.20 O ATOM 290 CB LYS A 18 1.367 -1.786 -6.336 1.00 45.00 C ATOM 291 CG LYS A 18 -0.153 -1.701 -6.510 1.00 61.44 C ATOM 292 CD LYS A 18 -0.675 -2.260 -7.852 1.00 2.25 C ATOM 293 CE LYS A 18 -2.210 -2.295 -7.925 1.00 61.02 C ATOM 294 NZ LYS A 18 -2.673 -2.889 -9.203 1.00 35.50 N ATOM 0 H LYS A 18 0.583 -3.757 -4.982 1.00 30.13 H new ATOM 0 HA LYS A 18 1.832 -3.521 -7.528 1.00 1.14 H new ATOM 0 HB2 LYS A 18 1.629 -1.404 -5.349 1.00 45.00 H new ATOM 0 HB3 LYS A 18 1.841 -1.131 -7.067 1.00 45.00 H new ATOM 0 HG2 LYS A 18 -0.631 -2.244 -5.694 1.00 61.44 H new ATOM 0 HG3 LYS A 18 -0.459 -0.659 -6.421 1.00 61.44 H new ATOM 0 HD2 LYS A 18 -0.291 -1.649 -8.669 1.00 2.25 H new ATOM 0 HD3 LYS A 18 -0.286 -3.268 -7.997 1.00 2.25 H new ATOM 0 HE2 LYS A 18 -2.603 -2.873 -7.089 1.00 61.02 H new ATOM 0 HE3 LYS A 18 -2.604 -1.284 -7.827 1.00 61.02 H new ATOM 0 HZ1 LYS A 18 -3.713 -2.900 -9.224 1.00 35.50 H new ATOM 0 HZ2 LYS A 18 -2.316 -2.322 -9.999 1.00 35.50 H new ATOM 0 HZ3 LYS A 18 -2.315 -3.862 -9.283 1.00 35.50 H new ATOM 308 N LEU A 19 3.753 -3.393 -4.844 1.00 13.32 N ATOM 309 CA LEU A 19 5.140 -3.541 -4.356 1.00 52.41 C ATOM 310 C LEU A 19 5.758 -4.878 -4.806 1.00 31.44 C ATOM 311 O LEU A 19 6.971 -4.967 -5.009 1.00 73.34 O ATOM 312 CB LEU A 19 5.182 -3.401 -2.811 1.00 53.03 C ATOM 313 CG LEU A 19 4.756 -2.005 -2.262 1.00 20.13 C ATOM 314 CD1 LEU A 19 4.889 -1.941 -0.730 1.00 13.23 C ATOM 315 CD2 LEU A 19 5.560 -0.877 -2.945 1.00 54.31 C ATOM 0 H LEU A 19 3.050 -3.451 -4.107 1.00 13.32 H new ATOM 0 HA LEU A 19 5.740 -2.744 -4.795 1.00 52.41 H new ATOM 0 HB2 LEU A 19 4.532 -4.160 -2.375 1.00 53.03 H new ATOM 0 HB3 LEU A 19 6.195 -3.615 -2.470 1.00 53.03 H new ATOM 0 HG LEU A 19 3.703 -1.858 -2.503 1.00 20.13 H new ATOM 0 HD11 LEU A 19 4.584 -0.955 -0.379 1.00 13.23 H new ATOM 0 HD12 LEU A 19 4.251 -2.700 -0.277 1.00 13.23 H new ATOM 0 HD13 LEU A 19 5.926 -2.122 -0.447 1.00 13.23 H new ATOM 0 HD21 LEU A 19 5.245 0.087 -2.546 1.00 54.31 H new ATOM 0 HD22 LEU A 19 6.623 -1.020 -2.752 1.00 54.31 H new ATOM 0 HD23 LEU A 19 5.380 -0.901 -4.020 1.00 54.31 H new ATOM 327 N LEU A 20 4.902 -5.904 -4.968 1.00 2.51 N ATOM 328 CA LEU A 20 5.301 -7.232 -5.490 1.00 51.14 C ATOM 329 C LEU A 20 5.377 -7.213 -7.034 1.00 60.40 C ATOM 330 O LEU A 20 5.946 -8.113 -7.641 1.00 33.33 O ATOM 331 CB LEU A 20 4.313 -8.329 -4.997 1.00 20.50 C ATOM 332 CG LEU A 20 4.266 -8.553 -3.449 1.00 62.41 C ATOM 333 CD1 LEU A 20 3.145 -9.538 -3.055 1.00 23.13 C ATOM 334 CD2 LEU A 20 5.639 -9.009 -2.901 1.00 63.51 C ATOM 0 H LEU A 20 3.910 -5.839 -4.741 1.00 2.51 H new ATOM 0 HA LEU A 20 6.294 -7.469 -5.107 1.00 51.14 H new ATOM 0 HB2 LEU A 20 3.311 -8.070 -5.339 1.00 20.50 H new ATOM 0 HB3 LEU A 20 4.578 -9.272 -5.474 1.00 20.50 H new ATOM 0 HG LEU A 20 4.034 -7.593 -2.988 1.00 62.41 H new ATOM 0 HD11 LEU A 20 3.141 -9.671 -1.973 1.00 23.13 H new ATOM 0 HD12 LEU A 20 2.182 -9.140 -3.376 1.00 23.13 H new ATOM 0 HD13 LEU A 20 3.319 -10.500 -3.538 1.00 23.13 H new ATOM 0 HD21 LEU A 20 5.570 -9.155 -1.823 1.00 63.51 H new ATOM 0 HD22 LEU A 20 5.927 -9.946 -3.377 1.00 63.51 H new ATOM 0 HD23 LEU A 20 6.388 -8.247 -3.117 1.00 63.51 H new ATOM 346 N GLU A 21 4.769 -6.199 -7.665 1.00 33.25 N ATOM 347 CA GLU A 21 4.893 -5.971 -9.120 1.00 34.31 C ATOM 348 C GLU A 21 6.212 -5.242 -9.412 1.00 42.42 C ATOM 349 O GLU A 21 6.971 -5.638 -10.301 1.00 13.44 O ATOM 350 CB GLU A 21 3.670 -5.167 -9.642 1.00 33.13 C ATOM 351 CG GLU A 21 2.363 -5.994 -9.684 1.00 43.52 C ATOM 352 CD GLU A 21 1.091 -5.166 -9.937 1.00 51.34 C ATOM 353 OE1 GLU A 21 0.152 -5.209 -9.108 1.00 51.14 O ATOM 354 OE2 GLU A 21 1.020 -4.467 -10.967 1.00 73.30 O ATOM 0 H GLU A 21 4.180 -5.515 -7.189 1.00 33.25 H new ATOM 0 HA GLU A 21 4.906 -6.927 -9.643 1.00 34.31 H new ATOM 0 HB2 GLU A 21 3.519 -4.295 -9.005 1.00 33.13 H new ATOM 0 HB3 GLU A 21 3.889 -4.796 -10.643 1.00 33.13 H new ATOM 0 HG2 GLU A 21 2.451 -6.749 -10.465 1.00 43.52 H new ATOM 0 HG3 GLU A 21 2.253 -6.525 -8.738 1.00 43.52 H new ATOM 361 N GLN A 22 6.490 -4.191 -8.616 1.00 4.01 N ATOM 362 CA GLN A 22 7.729 -3.397 -8.726 1.00 52.33 C ATOM 363 C GLN A 22 8.947 -4.188 -8.219 1.00 52.31 C ATOM 364 O GLN A 22 10.084 -3.901 -8.622 1.00 73.54 O ATOM 365 CB GLN A 22 7.595 -2.068 -7.932 1.00 50.45 C ATOM 366 CG GLN A 22 6.501 -1.117 -8.459 1.00 2.14 C ATOM 367 CD GLN A 22 6.386 0.210 -7.696 1.00 32.54 C ATOM 368 OE1 GLN A 22 6.016 1.242 -8.272 1.00 21.34 O ATOM 369 NE2 GLN A 22 6.657 0.206 -6.394 1.00 60.12 N ATOM 0 H GLN A 22 5.862 -3.869 -7.879 1.00 4.01 H new ATOM 0 HA GLN A 22 7.884 -3.170 -9.781 1.00 52.33 H new ATOM 0 HB2 GLN A 22 7.384 -2.302 -6.889 1.00 50.45 H new ATOM 0 HB3 GLN A 22 8.553 -1.548 -7.954 1.00 50.45 H new ATOM 0 HG2 GLN A 22 6.700 -0.901 -9.509 1.00 2.14 H new ATOM 0 HG3 GLN A 22 5.540 -1.630 -8.416 1.00 2.14 H new ATOM 0 HE21 GLN A 22 6.960 -0.655 -5.939 1.00 60.12 H new ATOM 0 HE22 GLN A 22 6.561 1.064 -5.851 1.00 60.12 H new ATOM 378 N SER A 23 8.699 -5.178 -7.330 1.00 11.45 N ATOM 379 CA SER A 23 9.762 -6.001 -6.739 1.00 63.52 C ATOM 380 C SER A 23 9.174 -7.350 -6.227 1.00 54.34 C ATOM 381 O SER A 23 8.818 -7.470 -5.043 1.00 32.03 O ATOM 382 CB SER A 23 10.466 -5.205 -5.606 1.00 41.31 C ATOM 383 OG SER A 23 11.771 -5.693 -5.375 1.00 64.24 O ATOM 0 H SER A 23 7.762 -5.422 -7.009 1.00 11.45 H new ATOM 0 HA SER A 23 10.510 -6.240 -7.495 1.00 63.52 H new ATOM 0 HB2 SER A 23 10.512 -4.149 -5.874 1.00 41.31 H new ATOM 0 HB3 SER A 23 9.880 -5.277 -4.689 1.00 41.31 H new ATOM 0 HG SER A 23 11.857 -5.965 -4.437 1.00 64.24 H new ATOM 389 N PRO A 24 9.004 -8.369 -7.144 1.00 72.12 N ATOM 390 CA PRO A 24 8.400 -9.696 -6.800 1.00 41.14 C ATOM 391 C PRO A 24 9.169 -10.506 -5.742 1.00 51.42 C ATOM 392 O PRO A 24 8.557 -11.229 -4.949 1.00 2.32 O ATOM 393 CB PRO A 24 8.363 -10.441 -8.170 1.00 73.52 C ATOM 394 CG PRO A 24 9.381 -9.740 -9.026 1.00 62.12 C ATOM 395 CD PRO A 24 9.324 -8.289 -8.604 1.00 41.31 C ATOM 0 HA PRO A 24 7.424 -9.565 -6.333 1.00 41.14 H new ATOM 0 HB2 PRO A 24 8.608 -11.497 -8.051 1.00 73.52 H new ATOM 0 HB3 PRO A 24 7.371 -10.392 -8.618 1.00 73.52 H new ATOM 0 HG2 PRO A 24 10.377 -10.156 -8.873 1.00 62.12 H new ATOM 0 HG3 PRO A 24 9.148 -9.851 -10.085 1.00 62.12 H new ATOM 0 HD2 PRO A 24 10.272 -7.781 -8.781 1.00 41.31 H new ATOM 0 HD3 PRO A 24 8.560 -7.740 -9.154 1.00 41.31 H new ATOM 403 N ASN A 25 10.502 -10.378 -5.741 1.00 43.44 N ATOM 404 CA ASN A 25 11.384 -11.169 -4.851 1.00 60.32 C ATOM 405 C ASN A 25 11.360 -10.650 -3.401 1.00 31.42 C ATOM 406 O ASN A 25 11.729 -11.375 -2.472 1.00 61.23 O ATOM 407 CB ASN A 25 12.829 -11.186 -5.407 1.00 34.41 C ATOM 408 CG ASN A 25 12.913 -11.841 -6.785 1.00 65.24 C ATOM 409 OD1 ASN A 25 12.799 -11.174 -7.811 1.00 53.33 O ATOM 410 ND2 ASN A 25 13.084 -13.154 -6.826 1.00 20.21 N ATOM 0 H ASN A 25 11.003 -9.731 -6.349 1.00 43.44 H new ATOM 0 HA ASN A 25 11.001 -12.189 -4.829 1.00 60.32 H new ATOM 0 HB2 ASN A 25 13.204 -10.164 -5.469 1.00 34.41 H new ATOM 0 HB3 ASN A 25 13.477 -11.721 -4.713 1.00 34.41 H new ATOM 0 HD21 ASN A 25 13.124 -13.635 -7.724 1.00 20.21 H new ATOM 0 HD22 ASN A 25 13.176 -13.684 -5.959 1.00 20.21 H new ATOM 417 N SER A 26 10.901 -9.403 -3.220 1.00 74.11 N ATOM 418 CA SER A 26 10.869 -8.735 -1.911 1.00 1.22 C ATOM 419 C SER A 26 9.710 -9.247 -1.036 1.00 40.20 C ATOM 420 O SER A 26 8.659 -9.655 -1.551 1.00 53.04 O ATOM 421 CB SER A 26 10.735 -7.224 -2.121 1.00 34.45 C ATOM 422 OG SER A 26 11.831 -6.714 -2.853 1.00 22.40 O ATOM 0 H SER A 26 10.540 -8.827 -3.981 1.00 74.11 H new ATOM 0 HA SER A 26 11.799 -8.962 -1.389 1.00 1.22 H new ATOM 0 HB2 SER A 26 9.807 -7.008 -2.651 1.00 34.45 H new ATOM 0 HB3 SER A 26 10.674 -6.723 -1.155 1.00 34.45 H new ATOM 0 HG SER A 26 12.547 -6.459 -2.235 1.00 22.40 H new ATOM 428 N LYS A 27 9.932 -9.244 0.292 1.00 43.13 N ATOM 429 CA LYS A 27 8.908 -9.576 1.297 1.00 55.02 C ATOM 430 C LYS A 27 8.392 -8.295 1.952 1.00 42.21 C ATOM 431 O LYS A 27 9.137 -7.575 2.623 1.00 63.25 O ATOM 432 CB LYS A 27 9.461 -10.568 2.357 1.00 41.45 C ATOM 433 CG LYS A 27 9.820 -11.988 1.817 1.00 62.40 C ATOM 434 CD LYS A 27 8.598 -12.939 1.557 1.00 71.42 C ATOM 435 CE LYS A 27 7.727 -12.573 0.328 1.00 52.23 C ATOM 436 NZ LYS A 27 8.530 -12.450 -0.916 1.00 72.34 N ATOM 0 H LYS A 27 10.837 -9.008 0.700 1.00 43.13 H new ATOM 0 HA LYS A 27 8.076 -10.072 0.797 1.00 55.02 H new ATOM 0 HB2 LYS A 27 10.353 -10.133 2.808 1.00 41.45 H new ATOM 0 HB3 LYS A 27 8.722 -10.675 3.151 1.00 41.45 H new ATOM 0 HG2 LYS A 27 10.375 -11.874 0.886 1.00 62.40 H new ATOM 0 HG3 LYS A 27 10.489 -12.471 2.530 1.00 62.40 H new ATOM 0 HD2 LYS A 27 8.970 -13.956 1.429 1.00 71.42 H new ATOM 0 HD3 LYS A 27 7.964 -12.941 2.444 1.00 71.42 H new ATOM 0 HE2 LYS A 27 6.960 -13.335 0.189 1.00 52.23 H new ATOM 0 HE3 LYS A 27 7.210 -11.632 0.519 1.00 52.23 H new ATOM 0 HZ1 LYS A 27 8.571 -11.452 -1.205 1.00 72.34 H new ATOM 0 HZ2 LYS A 27 9.494 -12.800 -0.743 1.00 72.34 H new ATOM 0 HZ3 LYS A 27 8.088 -13.011 -1.672 1.00 72.34 H new ATOM 450 N VAL A 28 7.103 -8.041 1.738 1.00 75.11 N ATOM 451 CA VAL A 28 6.410 -6.832 2.192 1.00 54.04 C ATOM 452 C VAL A 28 5.631 -7.140 3.489 1.00 15.54 C ATOM 453 O VAL A 28 5.063 -8.226 3.633 1.00 23.23 O ATOM 454 CB VAL A 28 5.432 -6.307 1.072 1.00 22.15 C ATOM 455 CG1 VAL A 28 4.732 -5.001 1.501 1.00 33.24 C ATOM 456 CG2 VAL A 28 6.179 -6.114 -0.274 1.00 52.15 C ATOM 0 H VAL A 28 6.494 -8.684 1.232 1.00 75.11 H new ATOM 0 HA VAL A 28 7.145 -6.053 2.395 1.00 54.04 H new ATOM 0 HB VAL A 28 4.662 -7.065 0.928 1.00 22.15 H new ATOM 0 HG11 VAL A 28 4.065 -4.667 0.706 1.00 33.24 H new ATOM 0 HG12 VAL A 28 4.154 -5.179 2.408 1.00 33.24 H new ATOM 0 HG13 VAL A 28 5.481 -4.233 1.693 1.00 33.24 H new ATOM 0 HG21 VAL A 28 5.481 -5.751 -1.029 1.00 52.15 H new ATOM 0 HG22 VAL A 28 6.982 -5.388 -0.144 1.00 52.15 H new ATOM 0 HG23 VAL A 28 6.600 -7.066 -0.597 1.00 52.15 H new ATOM 466 N GLN A 29 5.630 -6.185 4.422 1.00 2.11 N ATOM 467 CA GLN A 29 4.924 -6.280 5.710 1.00 45.22 C ATOM 468 C GLN A 29 4.130 -4.989 5.910 1.00 20.33 C ATOM 469 O GLN A 29 4.734 -3.934 6.099 1.00 45.03 O ATOM 470 CB GLN A 29 5.952 -6.473 6.867 1.00 75.12 C ATOM 471 CG GLN A 29 5.361 -6.428 8.300 1.00 44.01 C ATOM 472 CD GLN A 29 4.337 -7.533 8.581 1.00 43.42 C ATOM 473 OE1 GLN A 29 4.693 -8.630 9.011 1.00 63.33 O ATOM 474 NE2 GLN A 29 3.058 -7.244 8.368 1.00 24.41 N ATOM 0 H GLN A 29 6.130 -5.304 4.304 1.00 2.11 H new ATOM 0 HA GLN A 29 4.249 -7.136 5.713 1.00 45.22 H new ATOM 0 HB2 GLN A 29 6.452 -7.432 6.729 1.00 75.12 H new ATOM 0 HB3 GLN A 29 6.716 -5.700 6.783 1.00 75.12 H new ATOM 0 HG2 GLN A 29 6.174 -6.507 9.021 1.00 44.01 H new ATOM 0 HG3 GLN A 29 4.888 -5.459 8.458 1.00 44.01 H new ATOM 0 HE21 GLN A 29 2.795 -6.325 8.011 1.00 24.41 H new ATOM 0 HE22 GLN A 29 2.339 -7.941 8.562 1.00 24.41 H new ATOM 483 N VAL A 30 2.788 -5.065 5.849 1.00 30.22 N ATOM 484 CA VAL A 30 1.926 -3.890 6.068 1.00 33.34 C ATOM 485 C VAL A 30 2.197 -3.309 7.471 1.00 14.03 C ATOM 486 O VAL A 30 1.957 -3.979 8.484 1.00 73.14 O ATOM 487 CB VAL A 30 0.401 -4.220 5.917 1.00 30.52 C ATOM 488 CG1 VAL A 30 -0.459 -2.955 6.174 1.00 54.02 C ATOM 489 CG2 VAL A 30 0.093 -4.841 4.531 1.00 13.22 C ATOM 0 H VAL A 30 2.278 -5.926 5.650 1.00 30.22 H new ATOM 0 HA VAL A 30 2.172 -3.159 5.298 1.00 33.34 H new ATOM 0 HB VAL A 30 0.140 -4.964 6.669 1.00 30.52 H new ATOM 0 HG11 VAL A 30 -1.514 -3.204 6.065 1.00 54.02 H new ATOM 0 HG12 VAL A 30 -0.275 -2.589 7.184 1.00 54.02 H new ATOM 0 HG13 VAL A 30 -0.192 -2.181 5.454 1.00 54.02 H new ATOM 0 HG21 VAL A 30 -0.973 -5.058 4.458 1.00 13.22 H new ATOM 0 HG22 VAL A 30 0.374 -4.138 3.747 1.00 13.22 H new ATOM 0 HG23 VAL A 30 0.660 -5.764 4.412 1.00 13.22 H new ATOM 499 N ARG A 31 2.736 -2.082 7.497 1.00 1.33 N ATOM 500 CA ARG A 31 3.236 -1.439 8.723 1.00 4.41 C ATOM 501 C ARG A 31 2.129 -0.583 9.384 1.00 70.14 C ATOM 502 O ARG A 31 1.905 -0.675 10.599 1.00 24.21 O ATOM 503 CB ARG A 31 4.493 -0.584 8.384 1.00 50.50 C ATOM 504 CG ARG A 31 5.282 -0.071 9.614 1.00 72.00 C ATOM 505 CD ARG A 31 5.893 -1.214 10.458 1.00 32.13 C ATOM 506 NE ARG A 31 6.493 -0.716 11.709 1.00 20.20 N ATOM 507 CZ ARG A 31 7.564 -1.235 12.326 1.00 74.10 C ATOM 508 NH1 ARG A 31 8.206 -2.286 11.831 1.00 60.12 N ATOM 509 NH2 ARG A 31 7.995 -0.687 13.449 1.00 24.41 N ATOM 0 H ARG A 31 2.838 -1.503 6.663 1.00 1.33 H new ATOM 0 HA ARG A 31 3.522 -2.206 9.442 1.00 4.41 H new ATOM 0 HB2 ARG A 31 5.163 -1.179 7.763 1.00 50.50 H new ATOM 0 HB3 ARG A 31 4.182 0.273 7.787 1.00 50.50 H new ATOM 0 HG2 ARG A 31 6.080 0.591 9.277 1.00 72.00 H new ATOM 0 HG3 ARG A 31 4.619 0.523 10.243 1.00 72.00 H new ATOM 0 HD2 ARG A 31 5.119 -1.945 10.693 1.00 32.13 H new ATOM 0 HD3 ARG A 31 6.653 -1.731 9.872 1.00 32.13 H new ATOM 0 HE ARG A 31 6.054 0.096 12.144 1.00 20.20 H new ATOM 0 HH11 ARG A 31 7.887 -2.716 10.963 1.00 60.12 H new ATOM 0 HH12 ARG A 31 9.019 -2.663 12.318 1.00 60.12 H new ATOM 0 HH21 ARG A 31 7.514 0.123 13.839 1.00 24.41 H new ATOM 0 HH22 ARG A 31 8.809 -1.075 13.926 1.00 24.41 H new ATOM 523 N ARG A 32 1.430 0.231 8.571 1.00 54.43 N ATOM 524 CA ARG A 32 0.377 1.152 9.049 1.00 62.34 C ATOM 525 C ARG A 32 -0.584 1.496 7.895 1.00 42.25 C ATOM 526 O ARG A 32 -0.215 1.384 6.731 1.00 0.52 O ATOM 527 CB ARG A 32 1.026 2.441 9.639 1.00 72.23 C ATOM 528 CG ARG A 32 0.049 3.400 10.365 1.00 41.10 C ATOM 529 CD ARG A 32 -0.638 2.749 11.580 1.00 63.52 C ATOM 530 NE ARG A 32 -1.635 3.625 12.219 1.00 13.22 N ATOM 531 CZ ARG A 32 -2.176 3.415 13.434 1.00 21.24 C ATOM 532 NH1 ARG A 32 -1.826 2.358 14.165 1.00 61.22 N ATOM 533 NH2 ARG A 32 -3.070 4.269 13.910 1.00 63.53 N ATOM 0 H ARG A 32 1.578 0.270 7.563 1.00 54.43 H new ATOM 0 HA ARG A 32 -0.197 0.666 9.838 1.00 62.34 H new ATOM 0 HB2 ARG A 32 1.808 2.147 10.339 1.00 72.23 H new ATOM 0 HB3 ARG A 32 1.511 2.987 8.830 1.00 72.23 H new ATOM 0 HG2 ARG A 32 0.594 4.285 10.693 1.00 41.10 H new ATOM 0 HG3 ARG A 32 -0.712 3.737 9.661 1.00 41.10 H new ATOM 0 HD2 ARG A 32 -1.124 1.826 11.264 1.00 63.52 H new ATOM 0 HD3 ARG A 32 0.119 2.475 12.314 1.00 63.52 H new ATOM 0 HE ARG A 32 -1.938 4.451 11.703 1.00 13.22 H new ATOM 0 HH11 ARG A 32 -1.140 1.694 13.806 1.00 61.22 H new ATOM 0 HH12 ARG A 32 -2.244 2.212 15.084 1.00 61.22 H new ATOM 0 HH21 ARG A 32 -3.345 5.081 13.357 1.00 63.53 H new ATOM 0 HH22 ARG A 32 -3.483 4.115 14.830 1.00 63.53 H new ATOM 547 N VAL A 33 -1.833 1.875 8.244 1.00 15.52 N ATOM 548 CA VAL A 33 -2.872 2.322 7.282 1.00 51.43 C ATOM 549 C VAL A 33 -3.421 3.707 7.721 1.00 24.12 C ATOM 550 O VAL A 33 -3.579 3.956 8.927 1.00 4.12 O ATOM 551 CB VAL A 33 -4.051 1.277 7.206 1.00 34.54 C ATOM 552 CG1 VAL A 33 -5.184 1.744 6.268 1.00 65.23 C ATOM 553 CG2 VAL A 33 -3.536 -0.116 6.777 1.00 32.23 C ATOM 0 H VAL A 33 -2.155 1.880 9.212 1.00 15.52 H new ATOM 0 HA VAL A 33 -2.422 2.403 6.292 1.00 51.43 H new ATOM 0 HB VAL A 33 -4.467 1.200 8.211 1.00 34.54 H new ATOM 0 HG11 VAL A 33 -5.973 0.992 6.248 1.00 65.23 H new ATOM 0 HG12 VAL A 33 -5.591 2.688 6.631 1.00 65.23 H new ATOM 0 HG13 VAL A 33 -4.789 1.882 5.261 1.00 65.23 H new ATOM 0 HG21 VAL A 33 -4.371 -0.815 6.733 1.00 32.23 H new ATOM 0 HG22 VAL A 33 -3.071 -0.045 5.794 1.00 32.23 H new ATOM 0 HG23 VAL A 33 -2.803 -0.472 7.501 1.00 32.23 H new ATOM 563 N GLN A 34 -3.691 4.596 6.737 1.00 42.01 N ATOM 564 CA GLN A 34 -4.271 5.945 6.962 1.00 25.32 C ATOM 565 C GLN A 34 -5.500 6.119 6.050 1.00 41.41 C ATOM 566 O GLN A 34 -5.344 6.244 4.838 1.00 65.04 O ATOM 567 CB GLN A 34 -3.232 7.062 6.621 1.00 61.11 C ATOM 568 CG GLN A 34 -1.856 6.910 7.292 1.00 43.24 C ATOM 569 CD GLN A 34 -1.870 7.033 8.811 1.00 62.31 C ATOM 570 OE1 GLN A 34 -2.670 7.767 9.394 1.00 21.33 O ATOM 571 NE2 GLN A 34 -0.982 6.306 9.466 1.00 34.22 N ATOM 0 H GLN A 34 -3.511 4.397 5.753 1.00 42.01 H new ATOM 0 HA GLN A 34 -4.552 6.033 8.012 1.00 25.32 H new ATOM 0 HB2 GLN A 34 -3.090 7.085 5.541 1.00 61.11 H new ATOM 0 HB3 GLN A 34 -3.653 8.026 6.908 1.00 61.11 H new ATOM 0 HG2 GLN A 34 -1.442 5.938 7.024 1.00 43.24 H new ATOM 0 HG3 GLN A 34 -1.184 7.666 6.886 1.00 43.24 H new ATOM 0 HE21 GLN A 34 -0.334 5.709 8.953 1.00 34.22 H new ATOM 0 HE22 GLN A 34 -0.945 6.342 10.485 1.00 34.22 H new ATOM 580 N LYS A 35 -6.712 6.132 6.623 1.00 45.03 N ATOM 581 CA LYS A 35 -7.957 6.333 5.858 1.00 4.13 C ATOM 582 C LYS A 35 -8.279 7.839 5.856 1.00 34.04 C ATOM 583 O LYS A 35 -8.594 8.407 6.903 1.00 63.11 O ATOM 584 CB LYS A 35 -9.114 5.478 6.484 1.00 55.23 C ATOM 585 CG LYS A 35 -10.399 5.318 5.609 1.00 71.12 C ATOM 586 CD LYS A 35 -11.307 6.572 5.563 1.00 21.43 C ATOM 587 CE LYS A 35 -12.499 6.408 4.616 1.00 11.24 C ATOM 588 NZ LYS A 35 -13.440 5.343 5.039 1.00 53.15 N ATOM 0 H LYS A 35 -6.860 6.004 7.624 1.00 45.03 H new ATOM 0 HA LYS A 35 -7.842 5.999 4.827 1.00 4.13 H new ATOM 0 HB2 LYS A 35 -8.725 4.485 6.707 1.00 55.23 H new ATOM 0 HB3 LYS A 35 -9.399 5.930 7.434 1.00 55.23 H new ATOM 0 HG2 LYS A 35 -10.101 5.064 4.592 1.00 71.12 H new ATOM 0 HG3 LYS A 35 -10.980 4.478 5.990 1.00 71.12 H new ATOM 0 HD2 LYS A 35 -11.673 6.786 6.567 1.00 21.43 H new ATOM 0 HD3 LYS A 35 -10.715 7.432 5.249 1.00 21.43 H new ATOM 0 HE2 LYS A 35 -13.036 7.354 4.552 1.00 11.24 H new ATOM 0 HE3 LYS A 35 -12.131 6.182 3.615 1.00 11.24 H new ATOM 0 HZ1 LYS A 35 -14.404 5.593 4.739 1.00 53.15 H new ATOM 0 HZ2 LYS A 35 -13.164 4.441 4.601 1.00 53.15 H new ATOM 0 HZ3 LYS A 35 -13.413 5.247 6.074 1.00 53.15 H new ATOM 602 N GLN A 36 -8.155 8.482 4.684 1.00 1.04 N ATOM 603 CA GLN A 36 -8.419 9.925 4.519 1.00 64.42 C ATOM 604 C GLN A 36 -9.496 10.146 3.442 1.00 32.40 C ATOM 605 O GLN A 36 -9.180 10.250 2.251 1.00 51.14 O ATOM 606 CB GLN A 36 -7.102 10.675 4.150 1.00 24.24 C ATOM 607 CG GLN A 36 -5.976 10.558 5.199 1.00 30.40 C ATOM 608 CD GLN A 36 -6.371 11.107 6.579 1.00 73.10 C ATOM 609 OE1 GLN A 36 -7.171 12.037 6.702 1.00 24.04 O ATOM 610 NE2 GLN A 36 -5.808 10.541 7.628 1.00 71.23 N ATOM 0 H GLN A 36 -7.869 8.018 3.822 1.00 1.04 H new ATOM 0 HA GLN A 36 -8.789 10.329 5.462 1.00 64.42 H new ATOM 0 HB2 GLN A 36 -6.735 10.289 3.199 1.00 24.24 H new ATOM 0 HB3 GLN A 36 -7.331 11.730 3.999 1.00 24.24 H new ATOM 0 HG2 GLN A 36 -5.691 9.511 5.300 1.00 30.40 H new ATOM 0 HG3 GLN A 36 -5.098 11.094 4.840 1.00 30.40 H new ATOM 0 HE21 GLN A 36 -5.149 9.773 7.501 1.00 71.23 H new ATOM 0 HE22 GLN A 36 -6.031 10.871 8.567 1.00 71.23 H new ATOM 619 N GLY A 37 -10.775 10.177 3.874 1.00 70.42 N ATOM 620 CA GLY A 37 -11.912 10.422 2.978 1.00 35.22 C ATOM 621 C GLY A 37 -12.253 9.205 2.121 1.00 4.52 C ATOM 622 O GLY A 37 -13.178 8.459 2.428 1.00 20.33 O ATOM 0 H GLY A 37 -11.041 10.033 4.848 1.00 70.42 H new ATOM 0 HA2 GLY A 37 -12.784 10.701 3.570 1.00 35.22 H new ATOM 0 HA3 GLY A 37 -11.683 11.267 2.329 1.00 35.22 H new ATOM 626 N ASN A 38 -11.507 9.042 1.022 1.00 33.24 N ATOM 627 CA ASN A 38 -11.506 7.821 0.173 1.00 33.43 C ATOM 628 C ASN A 38 -10.089 7.523 -0.345 1.00 71.02 C ATOM 629 O ASN A 38 -9.893 6.566 -1.089 1.00 22.35 O ATOM 630 CB ASN A 38 -12.515 7.941 -1.019 1.00 32.42 C ATOM 631 CG ASN A 38 -13.954 7.572 -0.629 1.00 0.41 C ATOM 632 OD1 ASN A 38 -14.360 6.412 -0.728 1.00 62.00 O ATOM 633 ND2 ASN A 38 -14.727 8.544 -0.179 1.00 73.13 N ATOM 0 H ASN A 38 -10.871 9.763 0.682 1.00 33.24 H new ATOM 0 HA ASN A 38 -11.833 6.989 0.796 1.00 33.43 H new ATOM 0 HB2 ASN A 38 -12.499 8.962 -1.400 1.00 32.42 H new ATOM 0 HB3 ASN A 38 -12.187 7.292 -1.831 1.00 32.42 H new ATOM 0 HD21 ASN A 38 -15.688 8.344 0.098 1.00 73.13 H new ATOM 0 HD22 ASN A 38 -14.363 9.494 -0.108 1.00 73.13 H new ATOM 640 N THR A 39 -9.108 8.354 0.045 1.00 3.42 N ATOM 641 CA THR A 39 -7.693 8.138 -0.262 1.00 15.21 C ATOM 642 C THR A 39 -7.016 7.487 0.957 1.00 20.42 C ATOM 643 O THR A 39 -6.699 8.161 1.946 1.00 15.05 O ATOM 644 CB THR A 39 -6.988 9.482 -0.636 1.00 11.10 C ATOM 645 OG1 THR A 39 -7.761 10.159 -1.646 1.00 55.54 O ATOM 646 CG2 THR A 39 -5.549 9.253 -1.152 1.00 64.21 C ATOM 0 H THR A 39 -9.281 9.201 0.587 1.00 3.42 H new ATOM 0 HA THR A 39 -7.607 7.477 -1.125 1.00 15.21 H new ATOM 0 HB THR A 39 -6.924 10.092 0.265 1.00 11.10 H new ATOM 0 HG1 THR A 39 -7.323 11.003 -1.882 1.00 55.54 H new ATOM 0 HG21 THR A 39 -5.095 10.212 -1.401 1.00 64.21 H new ATOM 0 HG22 THR A 39 -4.959 8.762 -0.378 1.00 64.21 H new ATOM 0 HG23 THR A 39 -5.577 8.623 -2.041 1.00 64.21 H new ATOM 654 N ILE A 40 -6.876 6.156 0.907 1.00 32.24 N ATOM 655 CA ILE A 40 -6.233 5.375 1.962 1.00 41.00 C ATOM 656 C ILE A 40 -4.726 5.198 1.649 1.00 43.42 C ATOM 657 O ILE A 40 -4.350 4.462 0.731 1.00 3.43 O ATOM 658 CB ILE A 40 -6.944 3.981 2.145 1.00 1.21 C ATOM 659 CG1 ILE A 40 -8.468 4.182 2.464 1.00 52.31 C ATOM 660 CG2 ILE A 40 -6.244 3.148 3.245 1.00 33.02 C ATOM 661 CD1 ILE A 40 -9.239 2.912 2.798 1.00 44.45 C ATOM 0 H ILE A 40 -7.209 5.591 0.126 1.00 32.24 H new ATOM 0 HA ILE A 40 -6.328 5.917 2.903 1.00 41.00 H new ATOM 0 HB ILE A 40 -6.866 3.425 1.211 1.00 1.21 H new ATOM 0 HG12 ILE A 40 -8.558 4.873 3.303 1.00 52.31 H new ATOM 0 HG13 ILE A 40 -8.941 4.659 1.606 1.00 52.31 H new ATOM 0 HG21 ILE A 40 -6.752 2.190 3.354 1.00 33.02 H new ATOM 0 HG22 ILE A 40 -5.204 2.978 2.966 1.00 33.02 H new ATOM 0 HG23 ILE A 40 -6.282 3.689 4.191 1.00 33.02 H new ATOM 0 HD11 ILE A 40 -10.280 3.162 3.002 1.00 44.45 H new ATOM 0 HD12 ILE A 40 -9.189 2.224 1.954 1.00 44.45 H new ATOM 0 HD13 ILE A 40 -8.800 2.441 3.677 1.00 44.45 H new ATOM 673 N ARG A 41 -3.883 5.910 2.418 1.00 30.11 N ATOM 674 CA ARG A 41 -2.417 5.802 2.364 1.00 71.14 C ATOM 675 C ARG A 41 -1.956 4.680 3.304 1.00 42.21 C ATOM 676 O ARG A 41 -1.995 4.840 4.523 1.00 2.04 O ATOM 677 CB ARG A 41 -1.752 7.144 2.786 1.00 4.22 C ATOM 678 CG ARG A 41 -1.885 8.300 1.770 1.00 44.43 C ATOM 679 CD ARG A 41 -1.139 9.571 2.240 1.00 51.22 C ATOM 680 NE ARG A 41 -0.912 10.551 1.155 1.00 11.13 N ATOM 681 CZ ARG A 41 -0.373 11.776 1.321 1.00 11.51 C ATOM 682 NH1 ARG A 41 0.007 12.204 2.521 1.00 1.12 N ATOM 683 NH2 ARG A 41 -0.188 12.556 0.270 1.00 35.01 N ATOM 0 H ARG A 41 -4.209 6.588 3.106 1.00 30.11 H new ATOM 0 HA ARG A 41 -2.118 5.574 1.341 1.00 71.14 H new ATOM 0 HB2 ARG A 41 -2.188 7.463 3.733 1.00 4.22 H new ATOM 0 HB3 ARG A 41 -0.693 6.963 2.968 1.00 4.22 H new ATOM 0 HG2 ARG A 41 -1.489 7.983 0.805 1.00 44.43 H new ATOM 0 HG3 ARG A 41 -2.939 8.532 1.621 1.00 44.43 H new ATOM 0 HD2 ARG A 41 -1.712 10.047 3.036 1.00 51.22 H new ATOM 0 HD3 ARG A 41 -0.178 9.283 2.667 1.00 51.22 H new ATOM 0 HE ARG A 41 -1.184 10.280 0.210 1.00 11.13 H new ATOM 0 HH11 ARG A 41 -0.107 11.602 3.337 1.00 1.12 H new ATOM 0 HH12 ARG A 41 0.413 13.134 2.626 1.00 1.12 H new ATOM 0 HH21 ARG A 41 -0.452 12.230 -0.660 1.00 35.01 H new ATOM 0 HH22 ARG A 41 0.219 13.484 0.389 1.00 35.01 H new ATOM 697 N VAL A 42 -1.563 3.536 2.742 1.00 2.43 N ATOM 698 CA VAL A 42 -1.014 2.419 3.525 1.00 62.01 C ATOM 699 C VAL A 42 0.515 2.480 3.480 1.00 53.53 C ATOM 700 O VAL A 42 1.100 2.446 2.402 1.00 65.40 O ATOM 701 CB VAL A 42 -1.513 1.030 2.984 1.00 31.24 C ATOM 702 CG1 VAL A 42 -0.986 -0.146 3.842 1.00 72.41 C ATOM 703 CG2 VAL A 42 -3.047 0.994 2.918 1.00 44.22 C ATOM 0 H VAL A 42 -1.614 3.354 1.740 1.00 2.43 H new ATOM 0 HA VAL A 42 -1.363 2.514 4.553 1.00 62.01 H new ATOM 0 HB VAL A 42 -1.112 0.912 1.977 1.00 31.24 H new ATOM 0 HG11 VAL A 42 -1.354 -1.087 3.434 1.00 72.41 H new ATOM 0 HG12 VAL A 42 0.104 -0.146 3.829 1.00 72.41 H new ATOM 0 HG13 VAL A 42 -1.336 -0.033 4.868 1.00 72.41 H new ATOM 0 HG21 VAL A 42 -3.372 0.024 2.541 1.00 44.22 H new ATOM 0 HG22 VAL A 42 -3.458 1.152 3.915 1.00 44.22 H new ATOM 0 HG23 VAL A 42 -3.401 1.780 2.251 1.00 44.22 H new ATOM 713 N GLU A 43 1.152 2.620 4.648 1.00 1.11 N ATOM 714 CA GLU A 43 2.606 2.484 4.790 1.00 1.44 C ATOM 715 C GLU A 43 2.949 0.990 4.923 1.00 54.13 C ATOM 716 O GLU A 43 2.504 0.340 5.862 1.00 33.10 O ATOM 717 CB GLU A 43 3.124 3.263 6.034 1.00 0.11 C ATOM 718 CG GLU A 43 2.959 4.804 5.970 1.00 14.51 C ATOM 719 CD GLU A 43 1.509 5.309 6.145 1.00 32.33 C ATOM 720 OE1 GLU A 43 0.947 5.907 5.199 1.00 42.10 O ATOM 721 OE2 GLU A 43 0.947 5.126 7.248 1.00 41.13 O ATOM 0 H GLU A 43 0.673 2.831 5.523 1.00 1.11 H new ATOM 0 HA GLU A 43 3.092 2.906 3.910 1.00 1.44 H new ATOM 0 HB2 GLU A 43 2.600 2.895 6.916 1.00 0.11 H new ATOM 0 HB3 GLU A 43 4.181 3.033 6.172 1.00 0.11 H new ATOM 0 HG2 GLU A 43 3.581 5.254 6.743 1.00 14.51 H new ATOM 0 HG3 GLU A 43 3.338 5.156 5.011 1.00 14.51 H new ATOM 728 N LEU A 44 3.698 0.432 3.965 1.00 44.13 N ATOM 729 CA LEU A 44 4.161 -0.965 4.021 1.00 21.12 C ATOM 730 C LEU A 44 5.687 -0.983 4.097 1.00 24.41 C ATOM 731 O LEU A 44 6.352 -0.078 3.614 1.00 15.14 O ATOM 732 CB LEU A 44 3.683 -1.797 2.798 1.00 52.10 C ATOM 733 CG LEU A 44 2.161 -1.701 2.424 1.00 54.21 C ATOM 734 CD1 LEU A 44 1.879 -0.474 1.547 1.00 53.55 C ATOM 735 CD2 LEU A 44 1.649 -2.982 1.742 1.00 72.04 C ATOM 0 H LEU A 44 4.001 0.932 3.130 1.00 44.13 H new ATOM 0 HA LEU A 44 3.729 -1.425 4.910 1.00 21.12 H new ATOM 0 HB2 LEU A 44 4.266 -1.489 1.930 1.00 52.10 H new ATOM 0 HB3 LEU A 44 3.921 -2.844 2.986 1.00 52.10 H new ATOM 0 HG LEU A 44 1.615 -1.588 3.361 1.00 54.21 H new ATOM 0 HD11 LEU A 44 0.817 -0.436 1.305 1.00 53.55 H new ATOM 0 HD12 LEU A 44 2.161 0.431 2.085 1.00 53.55 H new ATOM 0 HD13 LEU A 44 2.458 -0.544 0.626 1.00 53.55 H new ATOM 0 HD21 LEU A 44 0.592 -2.869 1.502 1.00 72.04 H new ATOM 0 HD22 LEU A 44 2.213 -3.156 0.825 1.00 72.04 H new ATOM 0 HD23 LEU A 44 1.779 -3.830 2.415 1.00 72.04 H new ATOM 747 N GLU A 45 6.222 -2.040 4.676 1.00 74.02 N ATOM 748 CA GLU A 45 7.643 -2.169 5.000 1.00 22.32 C ATOM 749 C GLU A 45 8.229 -3.322 4.170 1.00 12.34 C ATOM 750 O GLU A 45 7.989 -4.501 4.445 1.00 42.12 O ATOM 751 CB GLU A 45 7.734 -2.405 6.527 1.00 34.14 C ATOM 752 CG GLU A 45 9.145 -2.568 7.118 1.00 4.14 C ATOM 753 CD GLU A 45 9.109 -2.626 8.656 1.00 53.41 C ATOM 754 OE1 GLU A 45 8.492 -3.574 9.203 1.00 11.14 O ATOM 755 OE2 GLU A 45 9.665 -1.724 9.324 1.00 61.44 O ATOM 0 H GLU A 45 5.673 -2.857 4.944 1.00 74.02 H new ATOM 0 HA GLU A 45 8.223 -1.279 4.754 1.00 22.32 H new ATOM 0 HB2 GLU A 45 7.249 -1.569 7.030 1.00 34.14 H new ATOM 0 HB3 GLU A 45 7.159 -3.299 6.768 1.00 34.14 H new ATOM 0 HG2 GLU A 45 9.601 -3.479 6.729 1.00 4.14 H new ATOM 0 HG3 GLU A 45 9.773 -1.736 6.799 1.00 4.14 H new ATOM 762 N LEU A 46 8.975 -2.955 3.129 1.00 14.44 N ATOM 763 CA LEU A 46 9.507 -3.888 2.129 1.00 25.15 C ATOM 764 C LEU A 46 10.972 -4.194 2.483 1.00 22.23 C ATOM 765 O LEU A 46 11.829 -3.315 2.398 1.00 43.23 O ATOM 766 CB LEU A 46 9.327 -3.246 0.715 1.00 75.22 C ATOM 767 CG LEU A 46 9.856 -4.042 -0.539 1.00 71.44 C ATOM 768 CD1 LEU A 46 9.020 -3.725 -1.801 1.00 13.44 C ATOM 769 CD2 LEU A 46 11.358 -3.756 -0.826 1.00 53.13 C ATOM 0 H LEU A 46 9.233 -1.984 2.951 1.00 14.44 H new ATOM 0 HA LEU A 46 8.974 -4.839 2.121 1.00 25.15 H new ATOM 0 HB2 LEU A 46 8.263 -3.061 0.567 1.00 75.22 H new ATOM 0 HB3 LEU A 46 9.821 -2.275 0.725 1.00 75.22 H new ATOM 0 HG LEU A 46 9.750 -5.099 -0.296 1.00 71.44 H new ATOM 0 HD11 LEU A 46 9.411 -4.290 -2.648 1.00 13.44 H new ATOM 0 HD12 LEU A 46 7.980 -4.003 -1.628 1.00 13.44 H new ATOM 0 HD13 LEU A 46 9.079 -2.658 -2.018 1.00 13.44 H new ATOM 0 HD21 LEU A 46 11.677 -4.326 -1.698 1.00 53.13 H new ATOM 0 HD22 LEU A 46 11.496 -2.692 -1.018 1.00 53.13 H new ATOM 0 HD23 LEU A 46 11.956 -4.049 0.037 1.00 53.13 H new ATOM 781 N ARG A 47 11.241 -5.437 2.906 1.00 15.04 N ATOM 782 CA ARG A 47 12.573 -5.875 3.361 1.00 24.35 C ATOM 783 C ARG A 47 13.275 -6.669 2.253 1.00 23.33 C ATOM 784 O ARG A 47 12.711 -7.631 1.710 1.00 62.11 O ATOM 785 CB ARG A 47 12.450 -6.728 4.654 1.00 32.55 C ATOM 786 CG ARG A 47 11.980 -5.927 5.887 1.00 73.33 C ATOM 787 CD ARG A 47 11.903 -6.779 7.162 1.00 74.31 C ATOM 788 NE ARG A 47 11.733 -5.959 8.382 1.00 3.32 N ATOM 789 CZ ARG A 47 10.683 -6.003 9.215 1.00 71.14 C ATOM 790 NH1 ARG A 47 9.659 -6.822 8.988 1.00 2.43 N ATOM 791 NH2 ARG A 47 10.681 -5.236 10.293 1.00 54.20 N ATOM 0 H ARG A 47 10.537 -6.174 2.943 1.00 15.04 H new ATOM 0 HA ARG A 47 13.174 -4.994 3.589 1.00 24.35 H new ATOM 0 HB2 ARG A 47 11.750 -7.544 4.474 1.00 32.55 H new ATOM 0 HB3 ARG A 47 13.417 -7.180 4.873 1.00 32.55 H new ATOM 0 HG2 ARG A 47 12.663 -5.094 6.054 1.00 73.33 H new ATOM 0 HG3 ARG A 47 10.999 -5.499 5.683 1.00 73.33 H new ATOM 0 HD2 ARG A 47 11.070 -7.477 7.079 1.00 74.31 H new ATOM 0 HD3 ARG A 47 12.811 -7.375 7.252 1.00 74.31 H new ATOM 0 HE ARG A 47 12.480 -5.303 8.609 1.00 3.32 H new ATOM 0 HH11 ARG A 47 9.664 -7.430 8.169 1.00 2.43 H new ATOM 0 HH12 ARG A 47 8.869 -6.842 9.633 1.00 2.43 H new ATOM 0 HH21 ARG A 47 11.472 -4.621 10.482 1.00 54.20 H new ATOM 0 HH22 ARG A 47 9.888 -5.260 10.935 1.00 54.20 H new ATOM 805 N THR A 48 14.498 -6.226 1.913 1.00 2.52 N ATOM 806 CA THR A 48 15.348 -6.819 0.869 1.00 34.43 C ATOM 807 C THR A 48 16.835 -6.639 1.257 1.00 42.33 C ATOM 808 O THR A 48 17.255 -5.519 1.566 1.00 62.03 O ATOM 809 CB THR A 48 15.076 -6.149 -0.528 1.00 44.03 C ATOM 810 OG1 THR A 48 13.694 -6.287 -0.863 1.00 41.34 O ATOM 811 CG2 THR A 48 15.935 -6.754 -1.657 1.00 61.14 C ATOM 0 H THR A 48 14.933 -5.424 2.370 1.00 2.52 H new ATOM 0 HA THR A 48 15.112 -7.880 0.788 1.00 34.43 H new ATOM 0 HB THR A 48 15.349 -5.098 -0.438 1.00 44.03 H new ATOM 0 HG1 THR A 48 13.427 -7.225 -0.768 1.00 41.34 H new ATOM 0 HG21 THR A 48 15.705 -6.253 -2.597 1.00 61.14 H new ATOM 0 HG22 THR A 48 16.991 -6.619 -1.423 1.00 61.14 H new ATOM 0 HG23 THR A 48 15.717 -7.818 -1.750 1.00 61.14 H new ATOM 819 N ASN A 49 17.604 -7.765 1.255 1.00 55.33 N ATOM 820 CA ASN A 49 19.078 -7.792 1.497 1.00 13.11 C ATOM 821 C ASN A 49 19.451 -7.323 2.923 1.00 73.12 C ATOM 822 O ASN A 49 20.592 -6.918 3.172 1.00 41.41 O ATOM 823 CB ASN A 49 19.826 -6.942 0.420 1.00 22.22 C ATOM 824 CG ASN A 49 19.567 -7.396 -1.026 1.00 41.13 C ATOM 825 OD1 ASN A 49 19.357 -8.582 -1.304 1.00 53.23 O ATOM 826 ND2 ASN A 49 19.578 -6.450 -1.963 1.00 12.02 N ATOM 0 H ASN A 49 17.213 -8.691 1.083 1.00 55.33 H new ATOM 0 HA ASN A 49 19.398 -8.830 1.412 1.00 13.11 H new ATOM 0 HB2 ASN A 49 19.525 -5.899 0.522 1.00 22.22 H new ATOM 0 HB3 ASN A 49 20.897 -6.986 0.617 1.00 22.22 H new ATOM 0 HD21 ASN A 49 19.410 -6.696 -2.938 1.00 12.02 H new ATOM 0 HD22 ASN A 49 19.754 -5.479 -1.705 1.00 12.02 H new ATOM 833 N GLY A 50 18.485 -7.396 3.859 1.00 23.33 N ATOM 834 CA GLY A 50 18.676 -6.907 5.231 1.00 41.53 C ATOM 835 C GLY A 50 18.226 -5.456 5.402 1.00 53.41 C ATOM 836 O GLY A 50 17.960 -5.018 6.525 1.00 52.54 O ATOM 0 H GLY A 50 17.561 -7.792 3.685 1.00 23.33 H new ATOM 0 HA2 GLY A 50 18.118 -7.541 5.920 1.00 41.53 H new ATOM 0 HA3 GLY A 50 19.729 -6.992 5.501 1.00 41.53 H new ATOM 840 N LYS A 51 18.139 -4.721 4.274 1.00 20.34 N ATOM 841 CA LYS A 51 17.586 -3.355 4.221 1.00 0.45 C ATOM 842 C LYS A 51 16.050 -3.397 4.289 1.00 31.50 C ATOM 843 O LYS A 51 15.447 -4.463 4.122 1.00 30.31 O ATOM 844 CB LYS A 51 18.038 -2.667 2.901 1.00 62.23 C ATOM 845 CG LYS A 51 19.540 -2.316 2.829 1.00 72.24 C ATOM 846 CD LYS A 51 19.988 -1.842 1.422 1.00 20.33 C ATOM 847 CE LYS A 51 19.139 -0.681 0.855 1.00 24.42 C ATOM 848 NZ LYS A 51 19.215 0.547 1.687 1.00 75.12 N ATOM 0 H LYS A 51 18.454 -5.064 3.367 1.00 20.34 H new ATOM 0 HA LYS A 51 17.956 -2.787 5.075 1.00 0.45 H new ATOM 0 HB2 LYS A 51 17.793 -3.322 2.065 1.00 62.23 H new ATOM 0 HB3 LYS A 51 17.460 -1.752 2.769 1.00 62.23 H new ATOM 0 HG2 LYS A 51 19.759 -1.534 3.556 1.00 72.24 H new ATOM 0 HG3 LYS A 51 20.125 -3.190 3.115 1.00 72.24 H new ATOM 0 HD2 LYS A 51 21.031 -1.528 1.470 1.00 20.33 H new ATOM 0 HD3 LYS A 51 19.940 -2.685 0.733 1.00 20.33 H new ATOM 0 HE2 LYS A 51 19.475 -0.451 -0.156 1.00 24.42 H new ATOM 0 HE3 LYS A 51 18.099 -1.000 0.780 1.00 24.42 H new ATOM 0 HZ1 LYS A 51 18.628 1.292 1.261 1.00 75.12 H new ATOM 0 HZ2 LYS A 51 18.869 0.339 2.645 1.00 75.12 H new ATOM 0 HZ3 LYS A 51 20.202 0.871 1.738 1.00 75.12 H new ATOM 862 N LYS A 52 15.435 -2.233 4.541 1.00 31.52 N ATOM 863 CA LYS A 52 13.975 -2.062 4.488 1.00 45.43 C ATOM 864 C LYS A 52 13.637 -0.657 3.960 1.00 43.35 C ATOM 865 O LYS A 52 14.312 0.328 4.291 1.00 43.00 O ATOM 866 CB LYS A 52 13.311 -2.286 5.877 1.00 24.44 C ATOM 867 CG LYS A 52 13.642 -1.216 6.944 1.00 12.32 C ATOM 868 CD LYS A 52 12.799 -1.368 8.231 1.00 14.45 C ATOM 869 CE LYS A 52 12.954 -0.168 9.179 1.00 23.12 C ATOM 870 NZ LYS A 52 12.032 -0.243 10.343 1.00 75.44 N ATOM 0 H LYS A 52 15.937 -1.380 4.788 1.00 31.52 H new ATOM 0 HA LYS A 52 13.575 -2.817 3.811 1.00 45.43 H new ATOM 0 HB2 LYS A 52 12.230 -2.321 5.744 1.00 24.44 H new ATOM 0 HB3 LYS A 52 13.618 -3.261 6.256 1.00 24.44 H new ATOM 0 HG2 LYS A 52 14.700 -1.280 7.199 1.00 12.32 H new ATOM 0 HG3 LYS A 52 13.475 -0.225 6.521 1.00 12.32 H new ATOM 0 HD2 LYS A 52 11.749 -1.482 7.963 1.00 14.45 H new ATOM 0 HD3 LYS A 52 13.096 -2.279 8.751 1.00 14.45 H new ATOM 0 HE2 LYS A 52 13.983 -0.121 9.536 1.00 23.12 H new ATOM 0 HE3 LYS A 52 12.765 0.754 8.628 1.00 23.12 H new ATOM 0 HZ1 LYS A 52 11.786 0.719 10.653 1.00 75.44 H new ATOM 0 HZ2 LYS A 52 11.167 -0.751 10.068 1.00 75.44 H new ATOM 0 HZ3 LYS A 52 12.498 -0.750 11.123 1.00 75.44 H new ATOM 884 N GLU A 53 12.593 -0.584 3.139 1.00 1.02 N ATOM 885 CA GLU A 53 12.094 0.658 2.539 1.00 62.55 C ATOM 886 C GLU A 53 10.595 0.757 2.840 1.00 24.32 C ATOM 887 O GLU A 53 9.831 -0.141 2.466 1.00 53.22 O ATOM 888 CB GLU A 53 12.340 0.652 0.999 1.00 31.31 C ATOM 889 CG GLU A 53 13.821 0.573 0.563 1.00 44.03 C ATOM 890 CD GLU A 53 14.648 1.792 1.006 1.00 4.53 C ATOM 891 OE1 GLU A 53 14.417 2.897 0.485 1.00 62.21 O ATOM 892 OE2 GLU A 53 15.538 1.662 1.863 1.00 23.20 O ATOM 0 H GLU A 53 12.055 -1.405 2.863 1.00 1.02 H new ATOM 0 HA GLU A 53 12.619 1.517 2.957 1.00 62.55 H new ATOM 0 HB2 GLU A 53 11.806 -0.194 0.566 1.00 31.31 H new ATOM 0 HB3 GLU A 53 11.902 1.556 0.575 1.00 31.31 H new ATOM 0 HG2 GLU A 53 14.267 -0.331 0.977 1.00 44.03 H new ATOM 0 HG3 GLU A 53 13.869 0.484 -0.522 1.00 44.03 H new ATOM 899 N ASN A 54 10.184 1.818 3.548 1.00 21.14 N ATOM 900 CA ASN A 54 8.766 2.072 3.824 1.00 21.44 C ATOM 901 C ASN A 54 8.149 2.788 2.610 1.00 62.25 C ATOM 902 O ASN A 54 8.595 3.872 2.238 1.00 20.12 O ATOM 903 CB ASN A 54 8.575 2.944 5.090 1.00 24.25 C ATOM 904 CG ASN A 54 7.104 3.060 5.539 1.00 11.24 C ATOM 905 OD1 ASN A 54 6.396 1.938 5.595 1.00 42.51 O flip ATOM 906 ND2 ASN A 54 6.617 4.145 5.866 1.00 14.12 N flip ATOM 0 H ASN A 54 10.817 2.515 3.940 1.00 21.14 H new ATOM 0 HA ASN A 54 8.272 1.117 4.003 1.00 21.44 H new ATOM 0 HB2 ASN A 54 9.163 2.522 5.905 1.00 24.25 H new ATOM 0 HB3 ASN A 54 8.968 3.942 4.897 1.00 24.25 H new ATOM 0 HD21 ASN A 54 7.181 4.993 5.814 1.00 14.12 H new ATOM 0 HD22 ASN A 54 5.650 4.194 6.188 1.00 14.12 H new ATOM 913 N TYR A 55 7.153 2.160 1.996 1.00 54.32 N ATOM 914 CA TYR A 55 6.406 2.717 0.865 1.00 43.34 C ATOM 915 C TYR A 55 5.005 3.111 1.330 1.00 5.30 C ATOM 916 O TYR A 55 4.227 2.258 1.758 1.00 72.01 O ATOM 917 CB TYR A 55 6.288 1.669 -0.267 1.00 35.41 C ATOM 918 CG TYR A 55 7.623 1.285 -0.928 1.00 40.15 C ATOM 919 CD1 TYR A 55 8.080 1.949 -2.070 1.00 65.01 C ATOM 920 CD2 TYR A 55 8.402 0.236 -0.443 1.00 10.43 C ATOM 921 CE1 TYR A 55 9.269 1.601 -2.681 1.00 1.34 C ATOM 922 CE2 TYR A 55 9.593 -0.110 -1.052 1.00 31.14 C ATOM 923 CZ TYR A 55 10.016 0.564 -2.175 1.00 4.00 C ATOM 924 OH TYR A 55 11.209 0.217 -2.781 1.00 44.32 O ATOM 0 H TYR A 55 6.833 1.232 2.272 1.00 54.32 H new ATOM 0 HA TYR A 55 6.935 3.592 0.488 1.00 43.34 H new ATOM 0 HB2 TYR A 55 5.826 0.768 0.137 1.00 35.41 H new ATOM 0 HB3 TYR A 55 5.616 2.056 -1.033 1.00 35.41 H new ATOM 0 HD1 TYR A 55 7.490 2.753 -2.484 1.00 65.01 H new ATOM 0 HD2 TYR A 55 8.069 -0.316 0.424 1.00 10.43 H new ATOM 0 HE1 TYR A 55 9.610 2.141 -3.552 1.00 1.34 H new ATOM 0 HE2 TYR A 55 10.193 -0.911 -0.646 1.00 31.14 H new ATOM 0 HH TYR A 55 11.614 -0.535 -2.300 1.00 44.32 H new ATOM 934 N THR A 56 4.703 4.403 1.237 1.00 12.54 N ATOM 935 CA THR A 56 3.357 4.932 1.408 1.00 14.44 C ATOM 936 C THR A 56 2.629 4.813 0.063 1.00 72.25 C ATOM 937 O THR A 56 2.835 5.625 -0.843 1.00 3.30 O ATOM 938 CB THR A 56 3.413 6.423 1.875 1.00 60.40 C ATOM 939 OG1 THR A 56 4.195 6.513 3.079 1.00 44.44 O ATOM 940 CG2 THR A 56 2.008 7.029 2.104 1.00 13.05 C ATOM 0 H THR A 56 5.399 5.122 1.038 1.00 12.54 H new ATOM 0 HA THR A 56 2.823 4.368 2.173 1.00 14.44 H new ATOM 0 HB THR A 56 3.878 7.003 1.078 1.00 60.40 H new ATOM 0 HG1 THR A 56 4.234 7.447 3.375 1.00 44.44 H new ATOM 0 HG21 THR A 56 2.107 8.065 2.427 1.00 13.05 H new ATOM 0 HG22 THR A 56 1.440 6.991 1.175 1.00 13.05 H new ATOM 0 HG23 THR A 56 1.486 6.458 2.872 1.00 13.05 H new ATOM 948 N VAL A 57 1.793 3.784 -0.056 1.00 43.41 N ATOM 949 CA VAL A 57 1.025 3.511 -1.266 1.00 73.43 C ATOM 950 C VAL A 57 -0.334 4.207 -1.134 1.00 32.13 C ATOM 951 O VAL A 57 -1.210 3.770 -0.377 1.00 13.34 O ATOM 952 CB VAL A 57 0.854 1.964 -1.499 1.00 21.32 C ATOM 953 CG1 VAL A 57 0.052 1.673 -2.789 1.00 14.14 C ATOM 954 CG2 VAL A 57 2.232 1.257 -1.537 1.00 21.23 C ATOM 0 H VAL A 57 1.629 3.111 0.692 1.00 43.41 H new ATOM 0 HA VAL A 57 1.556 3.898 -2.135 1.00 73.43 H new ATOM 0 HB VAL A 57 0.287 1.564 -0.659 1.00 21.32 H new ATOM 0 HG11 VAL A 57 -0.048 0.596 -2.920 1.00 14.14 H new ATOM 0 HG12 VAL A 57 -0.938 2.122 -2.711 1.00 14.14 H new ATOM 0 HG13 VAL A 57 0.576 2.096 -3.646 1.00 14.14 H new ATOM 0 HG21 VAL A 57 2.088 0.189 -1.699 1.00 21.23 H new ATOM 0 HG22 VAL A 57 2.831 1.670 -2.349 1.00 21.23 H new ATOM 0 HG23 VAL A 57 2.748 1.414 -0.590 1.00 21.23 H new ATOM 964 N GLU A 58 -0.456 5.329 -1.851 1.00 52.44 N ATOM 965 CA GLU A 58 -1.648 6.180 -1.866 1.00 41.50 C ATOM 966 C GLU A 58 -2.694 5.543 -2.780 1.00 72.22 C ATOM 967 O GLU A 58 -2.556 5.576 -3.999 1.00 40.53 O ATOM 968 CB GLU A 58 -1.267 7.593 -2.375 1.00 32.04 C ATOM 969 CG GLU A 58 -0.095 8.235 -1.611 1.00 73.43 C ATOM 970 CD GLU A 58 0.388 9.539 -2.251 1.00 45.32 C ATOM 971 OE1 GLU A 58 1.291 9.487 -3.108 1.00 51.12 O ATOM 972 OE2 GLU A 58 -0.149 10.616 -1.912 1.00 44.40 O ATOM 0 H GLU A 58 0.291 5.678 -2.452 1.00 52.44 H new ATOM 0 HA GLU A 58 -2.060 6.274 -0.861 1.00 41.50 H new ATOM 0 HB2 GLU A 58 -1.008 7.530 -3.432 1.00 32.04 H new ATOM 0 HB3 GLU A 58 -2.138 8.244 -2.298 1.00 32.04 H new ATOM 0 HG2 GLU A 58 -0.401 8.432 -0.584 1.00 73.43 H new ATOM 0 HG3 GLU A 58 0.734 7.529 -1.567 1.00 73.43 H new ATOM 979 N VAL A 59 -3.684 4.898 -2.168 1.00 61.13 N ATOM 980 CA VAL A 59 -4.796 4.229 -2.867 1.00 65.43 C ATOM 981 C VAL A 59 -6.062 5.098 -2.737 1.00 14.34 C ATOM 982 O VAL A 59 -6.261 5.717 -1.707 1.00 23.02 O ATOM 983 CB VAL A 59 -5.040 2.804 -2.251 1.00 64.45 C ATOM 984 CG1 VAL A 59 -6.170 2.038 -2.977 1.00 24.13 C ATOM 985 CG2 VAL A 59 -3.726 1.976 -2.231 1.00 74.42 C ATOM 0 H VAL A 59 -3.744 4.820 -1.153 1.00 61.13 H new ATOM 0 HA VAL A 59 -4.549 4.106 -3.922 1.00 65.43 H new ATOM 0 HB VAL A 59 -5.368 2.952 -1.222 1.00 64.45 H new ATOM 0 HG11 VAL A 59 -6.301 1.059 -2.515 1.00 24.13 H new ATOM 0 HG12 VAL A 59 -7.099 2.602 -2.901 1.00 24.13 H new ATOM 0 HG13 VAL A 59 -5.907 1.911 -4.027 1.00 24.13 H new ATOM 0 HG21 VAL A 59 -3.921 0.994 -1.800 1.00 74.42 H new ATOM 0 HG22 VAL A 59 -3.355 1.858 -3.249 1.00 74.42 H new ATOM 0 HG23 VAL A 59 -2.979 2.494 -1.630 1.00 74.42 H new ATOM 995 N GLU A 60 -6.903 5.153 -3.786 1.00 24.14 N ATOM 996 CA GLU A 60 -8.132 5.959 -3.798 1.00 41.53 C ATOM 997 C GLU A 60 -9.294 5.148 -4.400 1.00 44.55 C ATOM 998 O GLU A 60 -9.081 4.291 -5.266 1.00 24.42 O ATOM 999 CB GLU A 60 -7.895 7.250 -4.612 1.00 30.42 C ATOM 1000 CG GLU A 60 -9.055 8.261 -4.561 1.00 44.52 C ATOM 1001 CD GLU A 60 -8.845 9.459 -5.497 1.00 65.24 C ATOM 1002 OE1 GLU A 60 -7.950 10.285 -5.223 1.00 74.30 O ATOM 1003 OE2 GLU A 60 -9.576 9.581 -6.503 1.00 73.10 O ATOM 0 H GLU A 60 -6.746 4.637 -4.651 1.00 24.14 H new ATOM 0 HA GLU A 60 -8.396 6.228 -2.775 1.00 41.53 H new ATOM 0 HB2 GLU A 60 -6.991 7.735 -4.244 1.00 30.42 H new ATOM 0 HB3 GLU A 60 -7.711 6.980 -5.652 1.00 30.42 H new ATOM 0 HG2 GLU A 60 -9.983 7.755 -4.829 1.00 44.52 H new ATOM 0 HG3 GLU A 60 -9.172 8.621 -3.539 1.00 44.52 H new ATOM 1010 N ARG A 61 -10.516 5.412 -3.908 1.00 33.40 N ATOM 1011 CA ARG A 61 -11.751 4.774 -4.396 1.00 52.22 C ATOM 1012 C ARG A 61 -12.177 5.399 -5.745 1.00 2.32 C ATOM 1013 O ARG A 61 -12.446 6.603 -5.813 1.00 23.14 O ATOM 1014 CB ARG A 61 -12.894 4.965 -3.362 1.00 44.34 C ATOM 1015 CG ARG A 61 -14.226 4.246 -3.713 1.00 73.35 C ATOM 1016 CD ARG A 61 -14.243 2.764 -3.301 1.00 53.15 C ATOM 1017 NE ARG A 61 -14.431 2.606 -1.851 1.00 5.25 N ATOM 1018 CZ ARG A 61 -14.921 1.512 -1.243 1.00 55.44 C ATOM 1019 NH1 ARG A 61 -15.302 0.441 -1.931 1.00 20.52 N ATOM 1020 NH2 ARG A 61 -15.008 1.493 0.072 1.00 72.14 N ATOM 0 H ARG A 61 -10.676 6.080 -3.154 1.00 33.40 H new ATOM 0 HA ARG A 61 -11.559 3.710 -4.534 1.00 52.22 H new ATOM 0 HB2 ARG A 61 -12.550 4.606 -2.392 1.00 44.34 H new ATOM 0 HB3 ARG A 61 -13.092 6.032 -3.255 1.00 44.34 H new ATOM 0 HG2 ARG A 61 -15.050 4.762 -3.221 1.00 73.35 H new ATOM 0 HG3 ARG A 61 -14.399 4.320 -4.787 1.00 73.35 H new ATOM 0 HD2 ARG A 61 -15.044 2.248 -3.830 1.00 53.15 H new ATOM 0 HD3 ARG A 61 -13.307 2.292 -3.600 1.00 53.15 H new ATOM 0 HE ARG A 61 -14.168 3.392 -1.257 1.00 5.25 H new ATOM 0 HH11 ARG A 61 -15.226 0.435 -2.948 1.00 20.52 H new ATOM 0 HH12 ARG A 61 -15.670 -0.375 -1.442 1.00 20.52 H new ATOM 0 HH21 ARG A 61 -14.705 2.302 0.615 1.00 72.14 H new ATOM 0 HH22 ARG A 61 -15.378 0.670 0.547 1.00 72.14 H new ATOM 1034 N GLN A 62 -12.204 4.583 -6.806 1.00 43.12 N ATOM 1035 CA GLN A 62 -12.813 4.941 -8.106 1.00 13.24 C ATOM 1036 C GLN A 62 -13.945 3.943 -8.378 1.00 70.42 C ATOM 1037 O GLN A 62 -13.715 2.725 -8.339 1.00 35.10 O ATOM 1038 CB GLN A 62 -11.766 4.909 -9.253 1.00 24.34 C ATOM 1039 CG GLN A 62 -10.713 6.030 -9.192 1.00 51.03 C ATOM 1040 CD GLN A 62 -9.741 6.042 -10.378 1.00 71.41 C ATOM 1041 OE1 GLN A 62 -9.412 4.875 -10.920 1.00 52.43 O flip ATOM 1042 NE2 GLN A 62 -9.257 7.099 -10.792 1.00 14.11 N flip ATOM 0 H GLN A 62 -11.802 3.646 -6.793 1.00 43.12 H new ATOM 0 HA GLN A 62 -13.200 5.959 -8.065 1.00 13.24 H new ATOM 0 HB2 GLN A 62 -11.254 3.947 -9.233 1.00 24.34 H new ATOM 0 HB3 GLN A 62 -12.290 4.972 -10.207 1.00 24.34 H new ATOM 0 HG2 GLN A 62 -11.224 6.992 -9.145 1.00 51.03 H new ATOM 0 HG3 GLN A 62 -10.142 5.927 -8.269 1.00 51.03 H new ATOM 0 HE21 GLN A 62 -9.523 7.985 -10.362 1.00 14.11 H new ATOM 0 HE22 GLN A 62 -8.591 7.087 -11.564 1.00 14.11 H new ATOM 1051 N GLY A 63 -15.153 4.470 -8.652 1.00 64.34 N ATOM 1052 CA GLY A 63 -16.364 3.661 -8.777 1.00 72.12 C ATOM 1053 C GLY A 63 -16.732 3.011 -7.444 1.00 51.22 C ATOM 1054 O GLY A 63 -17.216 3.685 -6.528 1.00 71.45 O ATOM 0 H GLY A 63 -15.309 5.468 -8.792 1.00 64.34 H new ATOM 0 HA2 GLY A 63 -17.189 4.286 -9.120 1.00 72.12 H new ATOM 0 HA3 GLY A 63 -16.213 2.889 -9.532 1.00 72.12 H new ATOM 1058 N ASN A 64 -16.465 1.701 -7.332 1.00 40.41 N ATOM 1059 CA ASN A 64 -16.648 0.924 -6.083 1.00 50.22 C ATOM 1060 C ASN A 64 -15.346 0.172 -5.731 1.00 44.14 C ATOM 1061 O ASN A 64 -15.252 -0.443 -4.665 1.00 73.43 O ATOM 1062 CB ASN A 64 -17.825 -0.085 -6.222 1.00 11.33 C ATOM 1063 CG ASN A 64 -19.156 0.572 -6.599 1.00 51.00 C ATOM 1064 OD1 ASN A 64 -19.942 0.958 -5.737 1.00 31.45 O ATOM 1065 ND2 ASN A 64 -19.422 0.707 -7.893 1.00 61.14 N ATOM 0 H ASN A 64 -16.113 1.141 -8.108 1.00 40.41 H new ATOM 0 HA ASN A 64 -16.888 1.621 -5.280 1.00 50.22 H new ATOM 0 HB2 ASN A 64 -17.569 -0.827 -6.978 1.00 11.33 H new ATOM 0 HB3 ASN A 64 -17.947 -0.619 -5.280 1.00 11.33 H new ATOM 0 HD21 ASN A 64 -20.296 1.140 -8.192 1.00 61.14 H new ATOM 0 HD22 ASN A 64 -18.752 0.378 -8.588 1.00 61.14 H new ATOM 1072 N THR A 65 -14.337 0.249 -6.628 1.00 33.42 N ATOM 1073 CA THR A 65 -13.053 -0.469 -6.476 1.00 61.34 C ATOM 1074 C THR A 65 -11.937 0.481 -5.991 1.00 41.22 C ATOM 1075 O THR A 65 -12.142 1.696 -5.886 1.00 3.42 O ATOM 1076 CB THR A 65 -12.622 -1.131 -7.830 1.00 55.33 C ATOM 1077 OG1 THR A 65 -12.497 -0.126 -8.855 1.00 60.41 O ATOM 1078 CG2 THR A 65 -13.622 -2.209 -8.285 1.00 73.31 C ATOM 0 H THR A 65 -14.391 0.811 -7.477 1.00 33.42 H new ATOM 0 HA THR A 65 -13.202 -1.247 -5.728 1.00 61.34 H new ATOM 0 HB THR A 65 -11.658 -1.613 -7.665 1.00 55.33 H new ATOM 0 HG1 THR A 65 -12.226 -0.549 -9.696 1.00 60.41 H new ATOM 0 HG21 THR A 65 -13.286 -2.643 -9.227 1.00 73.31 H new ATOM 0 HG22 THR A 65 -13.684 -2.990 -7.528 1.00 73.31 H new ATOM 0 HG23 THR A 65 -14.605 -1.758 -8.423 1.00 73.31 H new ATOM 1086 N TRP A 66 -10.751 -0.101 -5.714 1.00 60.34 N ATOM 1087 CA TRP A 66 -9.561 0.618 -5.219 1.00 22.52 C ATOM 1088 C TRP A 66 -8.447 0.620 -6.282 1.00 64.30 C ATOM 1089 O TRP A 66 -8.166 -0.418 -6.892 1.00 53.43 O ATOM 1090 CB TRP A 66 -9.057 -0.053 -3.919 1.00 61.23 C ATOM 1091 CG TRP A 66 -10.042 0.065 -2.779 1.00 74.30 C ATOM 1092 CD1 TRP A 66 -10.886 -0.898 -2.293 1.00 1.24 C ATOM 1093 CD2 TRP A 66 -10.302 1.247 -2.009 1.00 11.45 C ATOM 1094 NE1 TRP A 66 -11.636 -0.387 -1.263 1.00 65.11 N ATOM 1095 CE2 TRP A 66 -11.296 0.928 -1.078 1.00 64.33 C ATOM 1096 CE3 TRP A 66 -9.785 2.546 -2.020 1.00 74.14 C ATOM 1097 CZ2 TRP A 66 -11.778 1.857 -0.163 1.00 42.40 C ATOM 1098 CZ3 TRP A 66 -10.268 3.464 -1.116 1.00 2.01 C ATOM 1099 CH2 TRP A 66 -11.262 3.118 -0.200 1.00 44.41 C ATOM 0 H TRP A 66 -10.592 -1.102 -5.831 1.00 60.34 H new ATOM 0 HA TRP A 66 -9.834 1.652 -5.010 1.00 22.52 H new ATOM 0 HB2 TRP A 66 -8.858 -1.107 -4.113 1.00 61.23 H new ATOM 0 HB3 TRP A 66 -8.111 0.401 -3.624 1.00 61.23 H new ATOM 0 HD1 TRP A 66 -10.952 -1.910 -2.665 1.00 1.24 H new ATOM 0 HE1 TRP A 66 -12.332 -0.902 -0.724 1.00 65.11 H new ATOM 0 HE3 TRP A 66 -9.018 2.825 -2.727 1.00 74.14 H new ATOM 0 HZ2 TRP A 66 -12.538 1.588 0.555 1.00 42.40 H new ATOM 0 HZ3 TRP A 66 -9.871 4.469 -1.115 1.00 2.01 H new ATOM 0 HH2 TRP A 66 -11.629 3.862 0.492 1.00 44.41 H new ATOM 1110 N THR A 67 -7.839 1.795 -6.505 1.00 3.34 N ATOM 1111 CA THR A 67 -6.718 1.986 -7.450 1.00 74.42 C ATOM 1112 C THR A 67 -5.570 2.697 -6.723 1.00 24.54 C ATOM 1113 O THR A 67 -5.808 3.456 -5.799 1.00 1.10 O ATOM 1114 CB THR A 67 -7.151 2.847 -8.689 1.00 52.44 C ATOM 1115 OG1 THR A 67 -6.103 2.857 -9.680 1.00 60.24 O ATOM 1116 CG2 THR A 67 -7.489 4.306 -8.299 1.00 31.31 C ATOM 0 H THR A 67 -8.113 2.654 -6.029 1.00 3.34 H new ATOM 0 HA THR A 67 -6.401 1.007 -7.809 1.00 74.42 H new ATOM 0 HB THR A 67 -8.051 2.386 -9.096 1.00 52.44 H new ATOM 0 HG1 THR A 67 -6.385 3.395 -10.449 1.00 60.24 H new ATOM 0 HG21 THR A 67 -7.783 4.862 -9.189 1.00 31.31 H new ATOM 0 HG22 THR A 67 -8.309 4.310 -7.581 1.00 31.31 H new ATOM 0 HG23 THR A 67 -6.613 4.775 -7.851 1.00 31.31 H new ATOM 1124 N VAL A 68 -4.331 2.470 -7.153 1.00 21.14 N ATOM 1125 CA VAL A 68 -3.164 3.170 -6.602 1.00 53.41 C ATOM 1126 C VAL A 68 -2.864 4.423 -7.435 1.00 74.23 C ATOM 1127 O VAL A 68 -2.638 4.340 -8.652 1.00 72.43 O ATOM 1128 CB VAL A 68 -1.923 2.226 -6.524 1.00 10.42 C ATOM 1129 CG1 VAL A 68 -0.643 2.985 -6.077 1.00 4.13 C ATOM 1130 CG2 VAL A 68 -2.238 1.041 -5.578 1.00 44.31 C ATOM 0 H VAL A 68 -4.104 1.801 -7.888 1.00 21.14 H new ATOM 0 HA VAL A 68 -3.394 3.481 -5.583 1.00 53.41 H new ATOM 0 HB VAL A 68 -1.718 1.840 -7.522 1.00 10.42 H new ATOM 0 HG11 VAL A 68 0.196 2.291 -6.036 1.00 4.13 H new ATOM 0 HG12 VAL A 68 -0.423 3.779 -6.791 1.00 4.13 H new ATOM 0 HG13 VAL A 68 -0.803 3.419 -5.090 1.00 4.13 H new ATOM 0 HG21 VAL A 68 -1.373 0.380 -5.522 1.00 44.31 H new ATOM 0 HG22 VAL A 68 -2.469 1.421 -4.583 1.00 44.31 H new ATOM 0 HG23 VAL A 68 -3.094 0.486 -5.962 1.00 44.31 H new ATOM 1140 N LYS A 69 -2.932 5.580 -6.757 1.00 50.51 N ATOM 1141 CA LYS A 69 -2.562 6.876 -7.317 1.00 71.03 C ATOM 1142 C LYS A 69 -1.043 6.963 -7.520 1.00 73.30 C ATOM 1143 O LYS A 69 -0.573 7.191 -8.644 1.00 63.51 O ATOM 1144 CB LYS A 69 -3.073 8.028 -6.402 1.00 44.04 C ATOM 1145 CG LYS A 69 -4.614 8.123 -6.287 1.00 44.10 C ATOM 1146 CD LYS A 69 -5.313 8.239 -7.667 1.00 52.45 C ATOM 1147 CE LYS A 69 -4.830 9.449 -8.497 1.00 53.24 C ATOM 1148 NZ LYS A 69 -5.386 9.435 -9.868 1.00 3.55 N ATOM 0 H LYS A 69 -3.251 5.635 -5.790 1.00 50.51 H new ATOM 0 HA LYS A 69 -3.036 6.983 -8.293 1.00 71.03 H new ATOM 0 HB2 LYS A 69 -2.655 7.895 -5.404 1.00 44.04 H new ATOM 0 HB3 LYS A 69 -2.691 8.975 -6.784 1.00 44.04 H new ATOM 0 HG2 LYS A 69 -4.990 7.242 -5.767 1.00 44.10 H new ATOM 0 HG3 LYS A 69 -4.876 8.988 -5.678 1.00 44.10 H new ATOM 0 HD2 LYS A 69 -5.137 7.325 -8.234 1.00 52.45 H new ATOM 0 HD3 LYS A 69 -6.390 8.318 -7.516 1.00 52.45 H new ATOM 0 HE2 LYS A 69 -5.122 10.372 -7.996 1.00 53.24 H new ATOM 0 HE3 LYS A 69 -3.741 9.444 -8.547 1.00 53.24 H new ATOM 0 HZ1 LYS A 69 -5.038 10.263 -10.392 1.00 3.55 H new ATOM 0 HZ2 LYS A 69 -5.087 8.566 -10.355 1.00 3.55 H new ATOM 0 HZ3 LYS A 69 -6.425 9.466 -9.822 1.00 3.55 H new ATOM 1162 N ARG A 70 -0.291 6.757 -6.428 1.00 62.04 N ATOM 1163 CA ARG A 70 1.180 6.763 -6.460 1.00 13.03 C ATOM 1164 C ARG A 70 1.733 6.046 -5.229 1.00 64.24 C ATOM 1165 O ARG A 70 1.210 6.195 -4.129 1.00 44.31 O ATOM 1166 CB ARG A 70 1.741 8.217 -6.516 1.00 55.03 C ATOM 1167 CG ARG A 70 3.284 8.328 -6.613 1.00 23.21 C ATOM 1168 CD ARG A 70 3.857 7.623 -7.862 1.00 24.41 C ATOM 1169 NE ARG A 70 5.331 7.659 -7.901 1.00 64.40 N ATOM 1170 CZ ARG A 70 6.107 6.778 -8.556 1.00 14.10 C ATOM 1171 NH1 ARG A 70 5.572 5.767 -9.232 1.00 42.12 N ATOM 1172 NH2 ARG A 70 7.419 6.930 -8.551 1.00 14.25 N ATOM 0 H ARG A 70 -0.683 6.582 -5.502 1.00 62.04 H new ATOM 0 HA ARG A 70 1.497 6.240 -7.362 1.00 13.03 H new ATOM 0 HB2 ARG A 70 1.302 8.725 -7.374 1.00 55.03 H new ATOM 0 HB3 ARG A 70 1.410 8.751 -5.625 1.00 55.03 H new ATOM 0 HG2 ARG A 70 3.568 9.380 -6.633 1.00 23.21 H new ATOM 0 HG3 ARG A 70 3.732 7.894 -5.719 1.00 23.21 H new ATOM 0 HD2 ARG A 70 3.521 6.586 -7.877 1.00 24.41 H new ATOM 0 HD3 ARG A 70 3.461 8.099 -8.759 1.00 24.41 H new ATOM 0 HE ARG A 70 5.797 8.410 -7.392 1.00 64.40 H new ATOM 0 HH11 ARG A 70 4.559 5.651 -9.259 1.00 42.12 H new ATOM 0 HH12 ARG A 70 6.174 5.107 -9.724 1.00 42.12 H new ATOM 0 HH21 ARG A 70 7.840 7.713 -8.051 1.00 14.25 H new ATOM 0 HH22 ARG A 70 8.011 6.264 -9.047 1.00 14.25 H new ATOM 1186 N ILE A 71 2.786 5.254 -5.444 1.00 25.43 N ATOM 1187 CA ILE A 71 3.594 4.690 -4.370 1.00 44.53 C ATOM 1188 C ILE A 71 4.729 5.680 -4.060 1.00 73.44 C ATOM 1189 O ILE A 71 5.666 5.832 -4.856 1.00 65.23 O ATOM 1190 CB ILE A 71 4.180 3.297 -4.789 1.00 54.15 C ATOM 1191 CG1 ILE A 71 3.025 2.329 -5.189 1.00 71.04 C ATOM 1192 CG2 ILE A 71 5.047 2.694 -3.662 1.00 3.11 C ATOM 1193 CD1 ILE A 71 3.472 0.956 -5.635 1.00 54.30 C ATOM 0 H ILE A 71 3.101 4.986 -6.377 1.00 25.43 H new ATOM 0 HA ILE A 71 2.979 4.533 -3.484 1.00 44.53 H new ATOM 0 HB ILE A 71 4.827 3.441 -5.655 1.00 54.15 H new ATOM 0 HG12 ILE A 71 2.353 2.218 -4.338 1.00 71.04 H new ATOM 0 HG13 ILE A 71 2.449 2.787 -5.993 1.00 71.04 H new ATOM 0 HG21 ILE A 71 5.439 1.729 -3.982 1.00 3.11 H new ATOM 0 HG22 ILE A 71 5.875 3.367 -3.441 1.00 3.11 H new ATOM 0 HG23 ILE A 71 4.439 2.560 -2.767 1.00 3.11 H new ATOM 0 HD11 ILE A 71 2.600 0.355 -5.892 1.00 54.30 H new ATOM 0 HD12 ILE A 71 4.118 1.049 -6.508 1.00 54.30 H new ATOM 0 HD13 ILE A 71 4.021 0.472 -4.827 1.00 54.30 H new ATOM 1205 N THR A 72 4.600 6.384 -2.938 1.00 3.21 N ATOM 1206 CA THR A 72 5.624 7.299 -2.438 1.00 53.13 C ATOM 1207 C THR A 72 6.480 6.591 -1.378 1.00 42.12 C ATOM 1208 O THR A 72 6.029 6.365 -0.258 1.00 32.52 O ATOM 1209 CB THR A 72 4.968 8.591 -1.846 1.00 4.15 C ATOM 1210 OG1 THR A 72 4.219 9.254 -2.881 1.00 23.03 O ATOM 1211 CG2 THR A 72 6.016 9.565 -1.264 1.00 10.03 C ATOM 0 H THR A 72 3.773 6.335 -2.344 1.00 3.21 H new ATOM 0 HA THR A 72 6.266 7.598 -3.267 1.00 53.13 H new ATOM 0 HB THR A 72 4.313 8.289 -1.029 1.00 4.15 H new ATOM 0 HG1 THR A 72 3.261 9.182 -2.688 1.00 23.03 H new ATOM 0 HG21 THR A 72 5.512 10.446 -0.865 1.00 10.03 H new ATOM 0 HG22 THR A 72 6.568 9.070 -0.465 1.00 10.03 H new ATOM 0 HG23 THR A 72 6.708 9.867 -2.050 1.00 10.03 H new ATOM 1219 N ARG A 73 7.709 6.232 -1.755 1.00 11.14 N ATOM 1220 CA ARG A 73 8.708 5.692 -0.830 1.00 10.04 C ATOM 1221 C ARG A 73 9.199 6.819 0.100 1.00 24.04 C ATOM 1222 O ARG A 73 9.221 7.992 -0.304 1.00 33.30 O ATOM 1223 CB ARG A 73 9.887 5.106 -1.647 1.00 3.23 C ATOM 1224 CG ARG A 73 10.980 4.396 -0.818 1.00 22.23 C ATOM 1225 CD ARG A 73 12.152 3.923 -1.689 1.00 2.21 C ATOM 1226 NE ARG A 73 12.813 5.049 -2.381 1.00 63.32 N ATOM 1227 CZ ARG A 73 14.139 5.235 -2.486 1.00 75.30 C ATOM 1228 NH1 ARG A 73 15.001 4.379 -1.950 1.00 61.23 N ATOM 1229 NH2 ARG A 73 14.594 6.300 -3.120 1.00 52.24 N ATOM 0 H ARG A 73 8.041 6.308 -2.716 1.00 11.14 H new ATOM 0 HA ARG A 73 8.272 4.900 -0.221 1.00 10.04 H new ATOM 0 HB2 ARG A 73 9.487 4.397 -2.372 1.00 3.23 H new ATOM 0 HB3 ARG A 73 10.351 5.914 -2.213 1.00 3.23 H new ATOM 0 HG2 ARG A 73 11.351 5.076 -0.051 1.00 22.23 H new ATOM 0 HG3 ARG A 73 10.544 3.540 -0.302 1.00 22.23 H new ATOM 0 HD2 ARG A 73 12.880 3.402 -1.067 1.00 2.21 H new ATOM 0 HD3 ARG A 73 11.791 3.206 -2.426 1.00 2.21 H new ATOM 0 HE ARG A 73 12.209 5.746 -2.817 1.00 63.32 H new ATOM 0 HH11 ARG A 73 14.660 3.560 -1.446 1.00 61.23 H new ATOM 0 HH12 ARG A 73 16.004 4.540 -2.042 1.00 61.23 H new ATOM 0 HH21 ARG A 73 13.941 6.971 -3.524 1.00 52.24 H new ATOM 0 HH22 ARG A 73 15.599 6.452 -3.206 1.00 52.24 H new ATOM 1243 N THR A 74 9.579 6.465 1.338 1.00 74.31 N ATOM 1244 CA THR A 74 10.166 7.412 2.292 1.00 20.45 C ATOM 1245 C THR A 74 11.567 7.833 1.801 1.00 44.34 C ATOM 1246 O THR A 74 12.224 7.089 1.056 1.00 5.53 O ATOM 1247 CB THR A 74 10.251 6.799 3.736 1.00 74.52 C ATOM 1248 OG1 THR A 74 10.714 7.792 4.665 1.00 33.44 O ATOM 1249 CG2 THR A 74 11.168 5.550 3.812 1.00 33.42 C ATOM 0 H THR A 74 9.487 5.517 1.702 1.00 74.31 H new ATOM 0 HA THR A 74 9.521 8.289 2.349 1.00 20.45 H new ATOM 0 HB THR A 74 9.244 6.475 3.998 1.00 74.52 H new ATOM 0 HG1 THR A 74 10.763 7.402 5.563 1.00 33.44 H new ATOM 0 HG21 THR A 74 11.185 5.173 4.835 1.00 33.42 H new ATOM 0 HG22 THR A 74 10.785 4.776 3.147 1.00 33.42 H new ATOM 0 HG23 THR A 74 12.179 5.822 3.508 1.00 33.42 H new ATOM 1257 N VAL A 75 12.002 9.027 2.199 1.00 34.10 N ATOM 1258 CA VAL A 75 13.315 9.569 1.837 1.00 1.54 C ATOM 1259 C VAL A 75 14.257 9.478 3.052 1.00 44.15 C ATOM 1260 O VAL A 75 13.815 9.568 4.202 1.00 2.11 O ATOM 1261 CB VAL A 75 13.188 11.052 1.307 1.00 12.30 C ATOM 1262 CG1 VAL A 75 12.497 11.990 2.333 1.00 73.30 C ATOM 1263 CG2 VAL A 75 14.560 11.622 0.844 1.00 35.13 C ATOM 0 H VAL A 75 11.450 9.652 2.787 1.00 34.10 H new ATOM 0 HA VAL A 75 13.738 8.978 1.025 1.00 1.54 H new ATOM 0 HB VAL A 75 12.540 11.012 0.431 1.00 12.30 H new ATOM 0 HG11 VAL A 75 12.434 12.997 1.921 1.00 73.30 H new ATOM 0 HG12 VAL A 75 11.493 11.621 2.545 1.00 73.30 H new ATOM 0 HG13 VAL A 75 13.078 12.011 3.255 1.00 73.30 H new ATOM 0 HG21 VAL A 75 14.428 12.643 0.487 1.00 35.13 H new ATOM 0 HG22 VAL A 75 15.257 11.618 1.682 1.00 35.13 H new ATOM 0 HG23 VAL A 75 14.957 11.005 0.038 1.00 35.13 H new ATOM 1273 N GLY A 76 15.546 9.249 2.781 1.00 71.44 N ATOM 1274 CA GLY A 76 16.590 9.222 3.803 1.00 40.30 C ATOM 1275 C GLY A 76 17.903 9.699 3.214 1.00 72.20 C ATOM 1276 O GLY A 76 18.223 9.340 2.070 1.00 44.32 O ATOM 0 H GLY A 76 15.894 9.076 1.838 1.00 71.44 H new ATOM 0 HA2 GLY A 76 16.306 9.857 4.642 1.00 40.30 H new ATOM 0 HA3 GLY A 76 16.703 8.210 4.193 1.00 40.30 H new ATOM 1280 N SER A 77 18.656 10.515 3.978 1.00 51.33 N ATOM 1281 CA SER A 77 19.909 11.126 3.509 1.00 11.32 C ATOM 1282 C SER A 77 21.010 10.057 3.390 1.00 51.11 C ATOM 1283 O SER A 77 21.394 9.428 4.385 1.00 33.12 O ATOM 1284 CB SER A 77 20.344 12.270 4.468 1.00 1.42 C ATOM 1285 OG SER A 77 20.529 11.798 5.793 1.00 55.12 O ATOM 0 H SER A 77 18.411 10.767 4.935 1.00 51.33 H new ATOM 0 HA SER A 77 19.744 11.557 2.521 1.00 11.32 H new ATOM 0 HB2 SER A 77 21.271 12.716 4.107 1.00 1.42 H new ATOM 0 HB3 SER A 77 19.589 13.056 4.463 1.00 1.42 H new ATOM 0 HG SER A 77 21.480 11.615 5.945 1.00 55.12 H new ATOM 1291 N LEU A 78 21.478 9.842 2.157 1.00 52.14 N ATOM 1292 CA LEU A 78 22.577 8.912 1.838 1.00 15.01 C ATOM 1293 C LEU A 78 23.812 9.777 1.509 1.00 63.23 C ATOM 1294 O LEU A 78 24.482 9.602 0.480 1.00 13.31 O ATOM 1295 CB LEU A 78 22.152 7.957 0.659 1.00 54.50 C ATOM 1296 CG LEU A 78 22.738 6.491 0.671 1.00 52.20 C ATOM 1297 CD1 LEU A 78 22.079 5.619 -0.420 1.00 32.44 C ATOM 1298 CD2 LEU A 78 24.281 6.471 0.528 1.00 11.10 C ATOM 0 H LEU A 78 21.101 10.315 1.336 1.00 52.14 H new ATOM 0 HA LEU A 78 22.818 8.255 2.674 1.00 15.01 H new ATOM 0 HB2 LEU A 78 21.064 7.886 0.657 1.00 54.50 H new ATOM 0 HB3 LEU A 78 22.442 8.429 -0.280 1.00 54.50 H new ATOM 0 HG LEU A 78 22.499 6.067 1.646 1.00 52.20 H new ATOM 0 HD11 LEU A 78 22.502 4.615 -0.388 1.00 32.44 H new ATOM 0 HD12 LEU A 78 21.005 5.566 -0.244 1.00 32.44 H new ATOM 0 HD13 LEU A 78 22.264 6.060 -1.399 1.00 32.44 H new ATOM 0 HD21 LEU A 78 24.634 5.440 0.542 1.00 11.10 H new ATOM 0 HD22 LEU A 78 24.565 6.939 -0.414 1.00 11.10 H new ATOM 0 HD23 LEU A 78 24.730 7.020 1.356 1.00 11.10 H new ATOM 1310 N GLU A 79 24.085 10.733 2.417 1.00 4.24 N ATOM 1311 CA GLU A 79 25.207 11.674 2.292 1.00 53.34 C ATOM 1312 C GLU A 79 26.541 10.911 2.345 1.00 3.11 C ATOM 1313 O GLU A 79 26.617 9.809 2.905 1.00 42.41 O ATOM 1314 CB GLU A 79 25.151 12.783 3.407 1.00 24.11 C ATOM 1315 CG GLU A 79 25.569 12.352 4.840 1.00 42.11 C ATOM 1316 CD GLU A 79 24.717 11.212 5.432 1.00 44.32 C ATOM 1317 OE1 GLU A 79 23.539 11.455 5.761 1.00 10.43 O ATOM 1318 OE2 GLU A 79 25.224 10.077 5.581 1.00 13.45 O ATOM 0 H GLU A 79 23.529 10.872 3.261 1.00 4.24 H new ATOM 0 HA GLU A 79 25.127 12.177 1.328 1.00 53.34 H new ATOM 0 HB2 GLU A 79 25.793 13.608 3.099 1.00 24.11 H new ATOM 0 HB3 GLU A 79 24.133 13.170 3.451 1.00 24.11 H new ATOM 0 HG2 GLU A 79 26.613 12.039 4.823 1.00 42.11 H new ATOM 0 HG3 GLU A 79 25.507 13.217 5.500 1.00 42.11 H new ATOM 1325 N HIS A 80 27.571 11.480 1.730 1.00 40.04 N ATOM 1326 CA HIS A 80 28.919 10.908 1.744 1.00 32.03 C ATOM 1327 C HIS A 80 29.872 11.937 2.329 1.00 33.33 C ATOM 1328 O HIS A 80 29.893 13.092 1.888 1.00 14.21 O ATOM 1329 CB HIS A 80 29.351 10.474 0.319 1.00 4.31 C ATOM 1330 CG HIS A 80 28.450 9.417 -0.266 1.00 21.54 C ATOM 1331 ND1 HIS A 80 27.571 9.665 -1.296 1.00 52.10 N ATOM 1332 CD2 HIS A 80 28.269 8.114 0.069 1.00 50.22 C ATOM 1333 CE1 HIS A 80 26.895 8.570 -1.566 1.00 54.21 C ATOM 1334 NE2 HIS A 80 27.302 7.613 -0.757 1.00 62.52 N ATOM 0 H HIS A 80 27.499 12.352 1.206 1.00 40.04 H new ATOM 0 HA HIS A 80 28.936 10.011 2.363 1.00 32.03 H new ATOM 0 HB2 HIS A 80 29.355 11.345 -0.336 1.00 4.31 H new ATOM 0 HB3 HIS A 80 30.373 10.096 0.353 1.00 4.31 H new ATOM 0 HD2 HIS A 80 28.792 7.574 0.844 1.00 50.22 H new ATOM 0 HE1 HIS A 80 26.133 8.471 -2.325 1.00 54.21 H new ATOM 0 HE2 HIS A 80 26.953 6.655 -0.748 1.00 62.52 H new ATOM 1343 N HIS A 81 30.612 11.531 3.364 1.00 34.25 N ATOM 1344 CA HIS A 81 31.634 12.375 3.983 1.00 14.42 C ATOM 1345 C HIS A 81 32.975 12.064 3.315 1.00 5.25 C ATOM 1346 O HIS A 81 33.440 10.917 3.362 1.00 73.13 O ATOM 1347 CB HIS A 81 31.698 12.116 5.507 1.00 41.11 C ATOM 1348 CG HIS A 81 30.399 12.358 6.228 1.00 40.34 C ATOM 1349 ND1 HIS A 81 29.467 11.366 6.461 1.00 63.22 N ATOM 1350 CD2 HIS A 81 29.881 13.482 6.774 1.00 34.12 C ATOM 1351 CE1 HIS A 81 28.446 11.873 7.116 1.00 42.25 C ATOM 1352 NE2 HIS A 81 28.675 13.148 7.317 1.00 21.43 N ATOM 0 H HIS A 81 30.519 10.611 3.794 1.00 34.25 H new ATOM 0 HA HIS A 81 31.390 13.428 3.844 1.00 14.42 H new ATOM 0 HB2 HIS A 81 32.008 11.085 5.676 1.00 41.11 H new ATOM 0 HB3 HIS A 81 32.466 12.756 5.941 1.00 41.11 H new ATOM 0 HD2 HIS A 81 30.337 14.461 6.779 1.00 34.12 H new ATOM 0 HE1 HIS A 81 27.568 11.331 7.434 1.00 42.25 H new ATOM 0 HE2 HIS A 81 28.049 13.790 7.803 1.00 21.43 H new ATOM 1361 N HIS A 82 33.581 13.080 2.678 1.00 51.31 N ATOM 1362 CA HIS A 82 34.874 12.933 1.988 1.00 13.25 C ATOM 1363 C HIS A 82 35.987 13.522 2.863 1.00 55.24 C ATOM 1364 O HIS A 82 35.899 14.672 3.312 1.00 22.41 O ATOM 1365 CB HIS A 82 34.839 13.577 0.564 1.00 31.04 C ATOM 1366 CG HIS A 82 34.686 15.083 0.486 1.00 75.41 C ATOM 1367 ND1 HIS A 82 35.570 15.886 -0.200 1.00 64.11 N ATOM 1368 CD2 HIS A 82 33.735 15.920 0.967 1.00 13.23 C ATOM 1369 CE1 HIS A 82 35.175 17.140 -0.130 1.00 64.41 C ATOM 1370 NE2 HIS A 82 34.065 17.186 0.570 1.00 14.02 N ATOM 0 H HIS A 82 33.191 14.021 2.627 1.00 51.31 H new ATOM 0 HA HIS A 82 35.080 11.873 1.836 1.00 13.25 H new ATOM 0 HB2 HIS A 82 35.759 13.304 0.048 1.00 31.04 H new ATOM 0 HB3 HIS A 82 34.017 13.125 0.010 1.00 31.04 H new ATOM 0 HD1 HIS A 82 36.404 15.559 -0.688 1.00 64.11 H new ATOM 0 HD2 HIS A 82 32.874 15.639 1.556 1.00 13.23 H new ATOM 0 HE1 HIS A 82 35.678 17.987 -0.573 1.00 64.41 H new ATOM 1379 N HIS A 83 37.019 12.700 3.131 1.00 65.21 N ATOM 1380 CA HIS A 83 38.183 13.090 3.956 1.00 40.35 C ATOM 1381 C HIS A 83 39.289 13.751 3.100 1.00 42.13 C ATOM 1382 O HIS A 83 40.363 14.081 3.610 1.00 52.31 O ATOM 1383 CB HIS A 83 38.739 11.862 4.736 1.00 13.34 C ATOM 1384 CG HIS A 83 39.408 10.800 3.890 1.00 4.20 C ATOM 1385 ND1 HIS A 83 40.781 10.695 3.763 1.00 11.33 N ATOM 1386 CD2 HIS A 83 38.895 9.789 3.149 1.00 55.01 C ATOM 1387 CE1 HIS A 83 41.070 9.674 2.983 1.00 33.01 C ATOM 1388 NE2 HIS A 83 39.944 9.110 2.600 1.00 3.25 N ATOM 0 H HIS A 83 37.071 11.743 2.781 1.00 65.21 H new ATOM 0 HA HIS A 83 37.845 13.831 4.680 1.00 40.35 H new ATOM 0 HB2 HIS A 83 39.457 12.218 5.475 1.00 13.34 H new ATOM 0 HB3 HIS A 83 37.918 11.400 5.285 1.00 13.34 H new ATOM 0 HD2 HIS A 83 37.848 9.562 3.017 1.00 55.01 H new ATOM 0 HE1 HIS A 83 42.063 9.354 2.705 1.00 33.01 H new ATOM 0 HE2 HIS A 83 39.868 8.296 1.990 1.00 3.25 H new ATOM 1397 N HIS A 84 39.016 13.922 1.792 1.00 3.20 N ATOM 1398 CA HIS A 84 39.900 14.635 0.857 1.00 5.35 C ATOM 1399 C HIS A 84 39.329 16.031 0.584 1.00 21.42 C ATOM 1400 O HIS A 84 38.235 16.141 0.032 1.00 23.40 O ATOM 1401 CB HIS A 84 40.017 13.832 -0.468 1.00 2.32 C ATOM 1402 CG HIS A 84 40.885 14.479 -1.524 1.00 52.34 C ATOM 1403 ND1 HIS A 84 42.247 14.286 -1.598 1.00 0.13 N ATOM 1404 CD2 HIS A 84 40.577 15.313 -2.556 1.00 50.43 C ATOM 1405 CE1 HIS A 84 42.733 14.967 -2.616 1.00 34.31 C ATOM 1406 NE2 HIS A 84 41.742 15.597 -3.211 1.00 14.32 N ATOM 0 H HIS A 84 38.167 13.565 1.353 1.00 3.20 H new ATOM 0 HA HIS A 84 40.893 14.735 1.294 1.00 5.35 H new ATOM 0 HB2 HIS A 84 40.417 12.843 -0.244 1.00 2.32 H new ATOM 0 HB3 HIS A 84 39.018 13.686 -0.878 1.00 2.32 H new ATOM 0 HD2 HIS A 84 39.594 15.682 -2.810 1.00 50.43 H new ATOM 0 HE1 HIS A 84 43.771 15.002 -2.913 1.00 34.31 H new ATOM 0 HE2 HIS A 84 41.830 16.200 -4.029 1.00 14.32 H new ATOM 1415 N HIS A 85 40.060 17.081 0.989 1.00 64.44 N ATOM 1416 CA HIS A 85 39.707 18.471 0.676 1.00 41.24 C ATOM 1417 C HIS A 85 39.839 18.705 -0.858 1.00 73.43 C ATOM 1418 O HIS A 85 38.811 18.753 -1.561 1.00 32.20 O ATOM 1419 CB HIS A 85 40.611 19.447 1.486 1.00 42.22 C ATOM 1420 CG HIS A 85 40.274 20.907 1.269 1.00 23.03 C ATOM 1421 ND1 HIS A 85 40.664 21.614 0.151 1.00 44.22 N ATOM 1422 CD2 HIS A 85 39.545 21.778 2.012 1.00 11.25 C ATOM 1423 CE1 HIS A 85 40.191 22.844 0.218 1.00 14.51 C ATOM 1424 NE2 HIS A 85 39.509 22.969 1.335 1.00 33.14 N ATOM 1425 OXT HIS A 85 40.982 18.799 -1.353 1.00 38.32 O ATOM 0 H HIS A 85 40.912 16.989 1.542 1.00 64.44 H new ATOM 0 HA HIS A 85 38.674 18.665 0.963 1.00 41.24 H new ATOM 0 HB2 HIS A 85 40.521 19.216 2.547 1.00 42.22 H new ATOM 0 HB3 HIS A 85 41.652 19.278 1.210 1.00 42.22 H new ATOM 0 HD2 HIS A 85 39.078 21.570 2.964 1.00 11.25 H new ATOM 0 HE1 HIS A 85 40.339 23.618 -0.521 1.00 14.51 H new ATOM 0 HE2 HIS A 85 39.031 23.814 1.647 1.00 33.14 H new TER 1434 HIS A 85