USER MOD reduce.3.24.130724 H: found=0, std=0, add=590, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 588 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 21 HIS : no HE2:sc= -5.41 K(o=-6.9,f=-5.2!) USER MOD Set 1.2: A 53 ASN : amide:sc= -1.46 X(o=-6.9,f=-6.9) USER MOD Single : A 7 ASN : amide:sc= -0.179 K(o=-0.18,f=-2.2!) USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= -5.45! C(o=-5.5!,f=-4.8!) USER MOD Single : A 18 HIS : no HD1:sc= -1.54 K(o=-1.5,f=-0.92) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 HIS : no HD1:sc= -0.181 X(o=-0.18,f=-0.32) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= -0.378 X(o=-0.38,f=-0.69) USER MOD Single : A 33 ASN : amide:sc= -0.367 X(o=-0.37,f=-0.12) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= -0.417 X(o=-0.42,f=-0.84) USER MOD Single : A 39 TYR OH : rot 165:sc= 0.0174 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot -25:sc= 1.55 USER MOD Single : A 62 GLN : amide:sc= -0.129 X(o=-0.13,f=0) USER MOD Single : A 65 GLN : amide:sc= -2.06 K(o=-2.1,f=-3!) USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 LYS NZ :NH3+ -169:sc=-0.00851 (180deg=-0.072) USER MOD Single : A 76 SER OG : rot -88:sc= 0.119 USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 6 -21.425 -8.149 5.212 1.00 6.51 N ATOM 2 CA ILE A 6 -21.458 -9.286 6.125 1.00 5.95 C ATOM 3 C ILE A 6 -20.050 -9.815 6.369 1.00 5.14 C ATOM 4 O ILE A 6 -19.823 -11.024 6.366 1.00 5.46 O ATOM 5 CB ILE A 6 -22.335 -10.392 5.548 1.00 6.67 C ATOM 6 CG1 ILE A 6 -21.907 -10.725 4.121 1.00 7.44 C ATOM 7 CG2 ILE A 6 -23.806 -9.994 5.588 1.00 6.84 C ATOM 8 CD1 ILE A 6 -21.274 -12.111 4.034 1.00 8.10 C ATOM 0 HA ILE A 6 -21.876 -8.956 7.076 1.00 5.95 H new ATOM 0 HB ILE A 6 -22.208 -11.283 6.163 1.00 6.67 H new ATOM 0 HG12 ILE A 6 -22.773 -10.677 3.460 1.00 7.44 H new ATOM 0 HG13 ILE A 6 -21.196 -9.977 3.770 1.00 7.44 H new ATOM 0 HG21 ILE A 6 -24.412 -10.798 5.171 1.00 6.84 H new ATOM 0 HG22 ILE A 6 -24.106 -9.811 6.620 1.00 6.84 H new ATOM 0 HG23 ILE A 6 -23.954 -9.087 5.001 1.00 6.84 H new ATOM 0 HD11 ILE A 6 -20.982 -12.314 3.004 1.00 8.10 H new ATOM 0 HD12 ILE A 6 -20.393 -12.150 4.675 1.00 8.10 H new ATOM 0 HD13 ILE A 6 -21.994 -12.861 4.361 1.00 8.10 H new ATOM 20 N ASN A 7 -19.107 -8.900 6.577 1.00 4.48 N ATOM 21 CA ASN A 7 -17.715 -9.270 6.819 1.00 4.06 C ATOM 22 C ASN A 7 -17.074 -9.772 5.534 1.00 3.11 C ATOM 23 O ASN A 7 -16.869 -10.973 5.358 1.00 3.46 O ATOM 24 CB ASN A 7 -17.633 -10.348 7.898 1.00 4.82 C ATOM 25 CG ASN A 7 -16.426 -10.108 8.796 1.00 5.60 C ATOM 26 OD1 ASN A 7 -15.580 -9.263 8.505 1.00 5.87 O ATOM 27 ND2 ASN A 7 -16.346 -10.855 9.892 1.00 6.34 N ATOM 0 H ASN A 7 -19.282 -7.895 6.583 1.00 4.48 H new ATOM 0 HA ASN A 7 -17.176 -8.387 7.162 1.00 4.06 H new ATOM 0 HB2 ASN A 7 -18.545 -10.345 8.495 1.00 4.82 H new ATOM 0 HB3 ASN A 7 -17.559 -11.332 7.434 1.00 4.82 H new ATOM 0 HD21 ASN A 7 -15.560 -10.740 10.532 1.00 6.34 H new ATOM 0 HD22 ASN A 7 -17.071 -11.544 10.094 1.00 6.34 H new ATOM 34 N ARG A 8 -16.766 -8.844 4.634 1.00 2.49 N ATOM 35 CA ARG A 8 -16.155 -9.189 3.358 1.00 2.11 C ATOM 36 C ARG A 8 -14.917 -8.338 3.107 1.00 1.69 C ATOM 37 O ARG A 8 -13.795 -8.843 3.108 1.00 2.38 O ATOM 38 CB ARG A 8 -17.165 -8.983 2.233 1.00 2.95 C ATOM 39 CG ARG A 8 -16.547 -9.264 0.865 1.00 3.61 C ATOM 40 CD ARG A 8 -17.604 -9.288 -0.234 1.00 4.57 C ATOM 41 NE ARG A 8 -18.225 -7.974 -0.369 1.00 5.39 N ATOM 42 CZ ARG A 8 -19.379 -7.810 -1.007 1.00 6.19 C ATOM 43 NH1 ARG A 8 -20.515 -8.171 -0.427 1.00 6.68 N ATOM 44 NH2 ARG A 8 -19.398 -7.285 -2.224 1.00 6.74 N ATOM 0 H ARG A 8 -16.930 -7.846 4.766 1.00 2.49 H new ATOM 0 HA ARG A 8 -15.853 -10.236 3.387 1.00 2.11 H new ATOM 0 HB2 ARG A 8 -18.022 -9.639 2.388 1.00 2.95 H new ATOM 0 HB3 ARG A 8 -17.538 -7.959 2.261 1.00 2.95 H new ATOM 0 HG2 ARG A 8 -15.802 -8.501 0.638 1.00 3.61 H new ATOM 0 HG3 ARG A 8 -16.026 -10.221 0.890 1.00 3.61 H new ATOM 0 HD2 ARG A 8 -17.148 -9.581 -1.180 1.00 4.57 H new ATOM 0 HD3 ARG A 8 -18.363 -10.034 -0.001 1.00 4.57 H new ATOM 0 HE ARG A 8 -17.761 -7.161 0.037 1.00 5.39 H new ATOM 0 HH11 ARG A 8 -20.504 -8.575 0.510 1.00 6.68 H new ATOM 0 HH12 ARG A 8 -21.401 -8.045 -0.917 1.00 6.68 H new ATOM 0 HH21 ARG A 8 -18.526 -7.006 -2.673 1.00 6.74 H new ATOM 0 HH22 ARG A 8 -20.285 -7.160 -2.712 1.00 6.74 H new ATOM 58 N MET A 9 -15.127 -7.045 2.886 1.00 1.18 N ATOM 59 CA MET A 9 -14.027 -6.124 2.629 1.00 0.82 C ATOM 60 C MET A 9 -13.303 -6.509 1.345 1.00 0.72 C ATOM 61 O MET A 9 -13.569 -7.561 0.766 1.00 0.97 O ATOM 62 CB MET A 9 -13.051 -6.138 3.801 1.00 1.08 C ATOM 63 CG MET A 9 -13.359 -5.027 4.800 1.00 1.61 C ATOM 64 SD MET A 9 -12.939 -5.481 6.491 1.00 2.27 S ATOM 65 CE MET A 9 -14.437 -4.989 7.359 1.00 2.82 C ATOM 0 H MET A 9 -16.050 -6.611 2.880 1.00 1.18 H new ATOM 0 HA MET A 9 -14.432 -5.119 2.514 1.00 0.82 H new ATOM 0 HB2 MET A 9 -13.099 -7.104 4.304 1.00 1.08 H new ATOM 0 HB3 MET A 9 -12.033 -6.022 3.429 1.00 1.08 H new ATOM 0 HG2 MET A 9 -12.807 -4.129 4.521 1.00 1.61 H new ATOM 0 HG3 MET A 9 -14.419 -4.779 4.747 1.00 1.61 H new ATOM 0 HE1 MET A 9 -14.330 -5.208 8.421 1.00 2.82 H new ATOM 0 HE2 MET A 9 -14.602 -3.920 7.223 1.00 2.82 H new ATOM 0 HE3 MET A 9 -15.287 -5.541 6.959 1.00 2.82 H new ATOM 75 N ASP A 10 -12.390 -5.651 0.903 1.00 0.49 N ATOM 76 CA ASP A 10 -11.629 -5.905 -0.315 1.00 0.42 C ATOM 77 C ASP A 10 -10.142 -5.672 -0.081 1.00 0.38 C ATOM 78 O ASP A 10 -9.708 -4.542 0.145 1.00 0.54 O ATOM 79 CB ASP A 10 -12.125 -4.996 -1.437 1.00 0.44 C ATOM 80 CG ASP A 10 -13.541 -5.381 -1.843 1.00 0.86 C ATOM 81 OD1 ASP A 10 -14.417 -5.450 -0.956 1.00 1.53 O ATOM 82 OD2 ASP A 10 -13.773 -5.613 -3.049 1.00 1.55 O ATOM 0 H ASP A 10 -12.159 -4.774 1.370 1.00 0.49 H new ATOM 0 HA ASP A 10 -11.775 -6.946 -0.602 1.00 0.42 H new ATOM 0 HB2 ASP A 10 -12.104 -3.957 -1.109 1.00 0.44 H new ATOM 0 HB3 ASP A 10 -11.460 -5.072 -2.297 1.00 0.44 H new ATOM 87 N TYR A 11 -9.363 -6.748 -0.140 1.00 0.40 N ATOM 88 CA TYR A 11 -7.922 -6.663 0.062 1.00 0.37 C ATOM 89 C TYR A 11 -7.186 -6.940 -1.243 1.00 0.34 C ATOM 90 O TYR A 11 -7.775 -7.433 -2.204 1.00 0.38 O ATOM 91 CB TYR A 11 -7.481 -7.661 1.129 1.00 0.42 C ATOM 92 CG TYR A 11 -7.800 -9.091 0.768 1.00 0.48 C ATOM 93 CD1 TYR A 11 -7.003 -9.777 -0.134 1.00 0.57 C ATOM 94 CD2 TYR A 11 -8.890 -9.725 1.339 1.00 0.54 C ATOM 95 CE1 TYR A 11 -7.297 -11.088 -0.463 1.00 0.67 C ATOM 96 CE2 TYR A 11 -9.184 -11.037 1.008 1.00 0.63 C ATOM 97 CZ TYR A 11 -8.384 -11.712 0.107 1.00 0.67 C ATOM 98 OH TYR A 11 -8.677 -13.017 -0.219 1.00 0.78 O ATOM 0 H TYR A 11 -9.707 -7.690 -0.326 1.00 0.40 H new ATOM 0 HA TYR A 11 -7.678 -5.655 0.396 1.00 0.37 H new ATOM 0 HB2 TYR A 11 -6.407 -7.563 1.288 1.00 0.42 H new ATOM 0 HB3 TYR A 11 -7.967 -7.413 2.073 1.00 0.42 H new ATOM 0 HD1 TYR A 11 -6.151 -9.287 -0.581 1.00 0.57 H new ATOM 0 HD2 TYR A 11 -9.513 -9.195 2.044 1.00 0.54 H new ATOM 0 HE1 TYR A 11 -6.675 -11.622 -1.166 1.00 0.67 H new ATOM 0 HE2 TYR A 11 -10.036 -11.531 1.453 1.00 0.63 H new ATOM 0 HH TYR A 11 -9.474 -13.306 0.272 1.00 0.78 H new ATOM 108 N VAL A 12 -5.897 -6.616 -1.274 1.00 0.34 N ATOM 109 CA VAL A 12 -5.086 -6.828 -2.467 1.00 0.34 C ATOM 110 C VAL A 12 -3.602 -6.710 -2.137 1.00 0.35 C ATOM 111 O VAL A 12 -3.228 -6.181 -1.090 1.00 0.51 O ATOM 112 CB VAL A 12 -5.462 -5.803 -3.533 1.00 0.38 C ATOM 113 CG1 VAL A 12 -5.189 -4.385 -3.040 1.00 0.52 C ATOM 114 CG2 VAL A 12 -4.714 -6.076 -4.834 1.00 0.81 C ATOM 0 H VAL A 12 -5.393 -6.206 -0.488 1.00 0.34 H new ATOM 0 HA VAL A 12 -5.278 -7.832 -2.844 1.00 0.34 H new ATOM 0 HB VAL A 12 -6.530 -5.895 -3.730 1.00 0.38 H new ATOM 0 HG11 VAL A 12 -5.464 -3.671 -3.816 1.00 0.52 H new ATOM 0 HG12 VAL A 12 -5.778 -4.192 -2.143 1.00 0.52 H new ATOM 0 HG13 VAL A 12 -4.129 -4.278 -2.808 1.00 0.52 H new ATOM 0 HG21 VAL A 12 -4.998 -5.333 -5.580 1.00 0.81 H new ATOM 0 HG22 VAL A 12 -3.640 -6.019 -4.655 1.00 0.81 H new ATOM 0 HG23 VAL A 12 -4.969 -7.071 -5.198 1.00 0.81 H new ATOM 124 N GLU A 13 -2.760 -7.210 -3.038 1.00 0.49 N ATOM 125 CA GLU A 13 -1.315 -7.164 -2.851 1.00 0.54 C ATOM 126 C GLU A 13 -0.629 -6.701 -4.131 1.00 0.50 C ATOM 127 O GLU A 13 -0.980 -7.139 -5.226 1.00 0.60 O ATOM 128 CB GLU A 13 -0.799 -8.543 -2.455 1.00 0.67 C ATOM 129 CG GLU A 13 -0.787 -8.724 -0.941 1.00 1.05 C ATOM 130 CD GLU A 13 -0.426 -10.158 -0.581 1.00 1.43 C ATOM 131 OE1 GLU A 13 0.496 -10.717 -1.214 1.00 1.97 O ATOM 132 OE2 GLU A 13 -1.064 -10.723 0.332 1.00 2.05 O ATOM 0 H GLU A 13 -3.057 -7.653 -3.908 1.00 0.49 H new ATOM 0 HA GLU A 13 -1.087 -6.454 -2.056 1.00 0.54 H new ATOM 0 HB2 GLU A 13 -1.426 -9.311 -2.909 1.00 0.67 H new ATOM 0 HB3 GLU A 13 0.209 -8.681 -2.847 1.00 0.67 H new ATOM 0 HG2 GLU A 13 -0.069 -8.038 -0.492 1.00 1.05 H new ATOM 0 HG3 GLU A 13 -1.766 -8.475 -0.531 1.00 1.05 H new ATOM 139 N ILE A 14 0.350 -5.811 -3.989 1.00 0.48 N ATOM 140 CA ILE A 14 1.083 -5.289 -5.139 1.00 0.49 C ATOM 141 C ILE A 14 2.582 -5.509 -4.970 1.00 0.48 C ATOM 142 O ILE A 14 3.145 -5.228 -3.912 1.00 0.43 O ATOM 143 CB ILE A 14 0.794 -3.800 -5.309 1.00 0.52 C ATOM 144 CG1 ILE A 14 1.123 -3.035 -4.027 1.00 0.51 C ATOM 145 CG2 ILE A 14 -0.658 -3.570 -5.711 1.00 0.64 C ATOM 146 CD1 ILE A 14 2.101 -1.894 -4.290 1.00 0.63 C ATOM 0 H ILE A 14 0.654 -5.437 -3.090 1.00 0.48 H new ATOM 0 HA ILE A 14 0.753 -5.825 -6.029 1.00 0.49 H new ATOM 0 HB ILE A 14 1.432 -3.422 -6.108 1.00 0.52 H new ATOM 0 HG12 ILE A 14 0.205 -2.636 -3.595 1.00 0.51 H new ATOM 0 HG13 ILE A 14 1.550 -3.719 -3.294 1.00 0.51 H new ATOM 0 HG21 ILE A 14 -0.839 -2.501 -5.826 1.00 0.64 H new ATOM 0 HG22 ILE A 14 -0.858 -4.076 -6.656 1.00 0.64 H new ATOM 0 HG23 ILE A 14 -1.317 -3.968 -4.939 1.00 0.64 H new ATOM 0 HD11 ILE A 14 2.312 -1.373 -3.356 1.00 0.63 H new ATOM 0 HD12 ILE A 14 3.028 -2.296 -4.698 1.00 0.63 H new ATOM 0 HD13 ILE A 14 1.663 -1.197 -5.004 1.00 0.63 H new ATOM 158 N ASN A 15 3.223 -6.014 -6.021 1.00 0.59 N ATOM 159 CA ASN A 15 4.659 -6.275 -5.993 1.00 0.62 C ATOM 160 C ASN A 15 5.439 -4.967 -5.954 1.00 0.60 C ATOM 161 O ASN A 15 5.098 -4.009 -6.647 1.00 0.78 O ATOM 162 CB ASN A 15 5.067 -7.085 -7.218 1.00 0.79 C ATOM 163 CG ASN A 15 4.537 -8.509 -7.111 1.00 1.31 C ATOM 164 OD1 ASN A 15 5.239 -9.412 -6.655 1.00 2.20 O ATOM 165 ND2 ASN A 15 3.293 -8.711 -7.532 1.00 1.54 N ATOM 0 H ASN A 15 2.770 -6.251 -6.904 1.00 0.59 H new ATOM 0 HA ASN A 15 4.889 -6.846 -5.093 1.00 0.62 H new ATOM 0 HB2 ASN A 15 4.679 -6.612 -8.120 1.00 0.79 H new ATOM 0 HB3 ASN A 15 6.153 -7.100 -7.307 1.00 0.79 H new ATOM 0 HD21 ASN A 15 2.884 -9.644 -7.484 1.00 1.54 H new ATOM 0 HD22 ASN A 15 2.747 -7.933 -7.903 1.00 1.54 H new ATOM 172 N ILE A 16 6.487 -4.933 -5.136 1.00 0.49 N ATOM 173 CA ILE A 16 7.316 -3.741 -4.999 1.00 0.49 C ATOM 174 C ILE A 16 8.762 -4.131 -4.697 1.00 0.56 C ATOM 175 O ILE A 16 9.044 -5.259 -4.291 1.00 0.66 O ATOM 176 CB ILE A 16 6.754 -2.851 -3.880 1.00 0.48 C ATOM 177 CG1 ILE A 16 5.444 -2.201 -4.324 1.00 0.63 C ATOM 178 CG2 ILE A 16 7.758 -1.781 -3.436 1.00 0.58 C ATOM 179 CD1 ILE A 16 5.675 -1.097 -5.352 1.00 0.84 C ATOM 0 H ILE A 16 6.782 -5.719 -4.557 1.00 0.49 H new ATOM 0 HA ILE A 16 7.302 -3.185 -5.937 1.00 0.49 H new ATOM 0 HB ILE A 16 6.561 -3.492 -3.020 1.00 0.48 H new ATOM 0 HG12 ILE A 16 4.788 -2.961 -4.749 1.00 0.63 H new ATOM 0 HG13 ILE A 16 4.932 -1.787 -3.456 1.00 0.63 H new ATOM 0 HG21 ILE A 16 7.318 -1.175 -2.644 1.00 0.58 H new ATOM 0 HG22 ILE A 16 8.663 -2.263 -3.065 1.00 0.58 H new ATOM 0 HG23 ILE A 16 8.008 -1.143 -4.284 1.00 0.58 H new ATOM 0 HD11 ILE A 16 4.718 -0.662 -5.640 1.00 0.84 H new ATOM 0 HD12 ILE A 16 6.309 -0.324 -4.919 1.00 0.84 H new ATOM 0 HD13 ILE A 16 6.163 -1.516 -6.232 1.00 0.84 H new ATOM 191 N ASP A 17 9.667 -3.177 -4.883 1.00 0.63 N ATOM 192 CA ASP A 17 11.080 -3.392 -4.617 1.00 0.75 C ATOM 193 C ASP A 17 11.492 -2.615 -3.374 1.00 1.00 C ATOM 194 O ASP A 17 11.480 -1.389 -3.384 1.00 1.75 O ATOM 195 CB ASP A 17 11.914 -2.943 -5.814 1.00 1.27 C ATOM 196 CG ASP A 17 11.371 -3.555 -7.099 1.00 1.63 C ATOM 197 OD1 ASP A 17 11.689 -4.729 -7.380 1.00 2.16 O ATOM 198 OD2 ASP A 17 10.629 -2.858 -7.822 1.00 2.21 O ATOM 0 H ASP A 17 9.442 -2.241 -5.220 1.00 0.63 H new ATOM 0 HA ASP A 17 11.253 -4.455 -4.449 1.00 0.75 H new ATOM 0 HB2 ASP A 17 11.900 -1.856 -5.887 1.00 1.27 H new ATOM 0 HB3 ASP A 17 12.953 -3.240 -5.673 1.00 1.27 H new ATOM 203 N HIS A 18 11.833 -3.360 -2.314 1.00 1.27 N ATOM 204 CA HIS A 18 12.250 -2.820 -1.001 1.00 1.85 C ATOM 205 C HIS A 18 12.526 -1.312 -1.007 1.00 1.32 C ATOM 206 O HIS A 18 11.938 -0.568 -0.221 1.00 2.00 O ATOM 207 CB HIS A 18 13.497 -3.559 -0.521 1.00 2.83 C ATOM 208 CG HIS A 18 14.579 -3.618 -1.554 1.00 3.48 C ATOM 209 ND1 HIS A 18 15.809 -3.034 -1.392 1.00 4.01 N ATOM 210 CD2 HIS A 18 14.625 -4.192 -2.785 1.00 4.16 C ATOM 211 CE1 HIS A 18 16.566 -3.229 -2.445 1.00 4.73 C ATOM 212 NE2 HIS A 18 15.874 -3.937 -3.322 1.00 4.84 N ATOM 0 H HIS A 18 11.828 -4.380 -2.340 1.00 1.27 H new ATOM 0 HA HIS A 18 11.411 -2.978 -0.324 1.00 1.85 H new ATOM 0 HB2 HIS A 18 13.882 -3.067 0.372 1.00 2.83 H new ATOM 0 HB3 HIS A 18 13.222 -4.574 -0.233 1.00 2.83 H new ATOM 0 HD2 HIS A 18 13.829 -4.748 -3.259 1.00 4.16 H new ATOM 0 HE1 HIS A 18 17.578 -2.874 -2.574 1.00 4.73 H new ATOM 0 HE2 HIS A 18 16.205 -4.243 -4.237 1.00 4.84 H new ATOM 220 N LYS A 19 13.422 -0.866 -1.885 1.00 0.82 N ATOM 221 CA LYS A 19 13.775 0.552 -1.980 1.00 0.84 C ATOM 222 C LYS A 19 12.532 1.438 -1.922 1.00 0.77 C ATOM 223 O LYS A 19 12.590 2.576 -1.459 1.00 1.13 O ATOM 224 CB LYS A 19 14.531 0.810 -3.279 1.00 1.47 C ATOM 225 CG LYS A 19 16.034 0.620 -3.101 1.00 1.97 C ATOM 226 CD LYS A 19 16.826 1.458 -4.101 1.00 2.72 C ATOM 227 CE LYS A 19 18.121 0.764 -4.514 1.00 3.37 C ATOM 228 NZ LYS A 19 19.087 1.732 -5.103 1.00 4.03 N ATOM 0 H LYS A 19 13.919 -1.466 -2.543 1.00 0.82 H new ATOM 0 HA LYS A 19 14.410 0.801 -1.130 1.00 0.84 H new ATOM 0 HB2 LYS A 19 14.167 0.134 -4.053 1.00 1.47 H new ATOM 0 HB3 LYS A 19 14.330 1.825 -3.622 1.00 1.47 H new ATOM 0 HG2 LYS A 19 16.319 0.897 -2.086 1.00 1.97 H new ATOM 0 HG3 LYS A 19 16.286 -0.433 -3.227 1.00 1.97 H new ATOM 0 HD2 LYS A 19 16.215 1.645 -4.984 1.00 2.72 H new ATOM 0 HD3 LYS A 19 17.057 2.428 -3.661 1.00 2.72 H new ATOM 0 HE2 LYS A 19 18.570 0.280 -3.646 1.00 3.37 H new ATOM 0 HE3 LYS A 19 17.901 -0.021 -5.238 1.00 3.37 H new ATOM 0 HZ1 LYS A 19 19.958 1.232 -5.374 1.00 4.03 H new ATOM 0 HZ2 LYS A 19 18.665 2.175 -5.944 1.00 4.03 H new ATOM 0 HZ3 LYS A 19 19.314 2.466 -4.402 1.00 4.03 H new ATOM 242 N PHE A 20 11.411 0.905 -2.395 1.00 0.63 N ATOM 243 CA PHE A 20 10.150 1.637 -2.404 1.00 0.61 C ATOM 244 C PHE A 20 9.655 1.874 -0.983 1.00 0.62 C ATOM 245 O PHE A 20 9.229 2.976 -0.644 1.00 0.95 O ATOM 246 CB PHE A 20 9.102 0.854 -3.192 1.00 0.62 C ATOM 247 CG PHE A 20 8.653 1.561 -4.447 1.00 0.75 C ATOM 248 CD1 PHE A 20 7.778 2.630 -4.367 1.00 0.96 C ATOM 249 CD2 PHE A 20 9.115 1.143 -5.684 1.00 1.08 C ATOM 250 CE1 PHE A 20 7.365 3.280 -5.518 1.00 1.17 C ATOM 251 CE2 PHE A 20 8.704 1.793 -6.835 1.00 1.26 C ATOM 252 CZ PHE A 20 7.824 2.858 -6.752 1.00 1.19 C ATOM 0 H PHE A 20 11.350 -0.038 -2.780 1.00 0.63 H new ATOM 0 HA PHE A 20 10.315 2.604 -2.880 1.00 0.61 H new ATOM 0 HB2 PHE A 20 9.510 -0.121 -3.458 1.00 0.62 H new ATOM 0 HB3 PHE A 20 8.236 0.674 -2.554 1.00 0.62 H new ATOM 0 HD1 PHE A 20 7.416 2.958 -3.404 1.00 0.96 H new ATOM 0 HD2 PHE A 20 9.797 0.308 -5.751 1.00 1.08 H new ATOM 0 HE1 PHE A 20 6.685 4.116 -5.452 1.00 1.17 H new ATOM 0 HE2 PHE A 20 9.070 1.469 -7.798 1.00 1.26 H new ATOM 0 HZ PHE A 20 7.496 3.359 -7.651 1.00 1.19 H new ATOM 262 N HIS A 21 9.707 0.835 -0.157 1.00 0.53 N ATOM 263 CA HIS A 21 9.256 0.938 1.226 1.00 0.57 C ATOM 264 C HIS A 21 9.976 2.073 1.934 1.00 0.69 C ATOM 265 O HIS A 21 9.356 3.049 2.356 1.00 1.03 O ATOM 266 CB HIS A 21 9.516 -0.367 1.968 1.00 0.54 C ATOM 267 CG HIS A 21 8.774 -1.532 1.386 1.00 0.47 C ATOM 268 ND1 HIS A 21 8.325 -2.587 2.137 1.00 0.48 N ATOM 269 CD2 HIS A 21 8.386 -1.819 0.115 1.00 0.44 C ATOM 270 CE1 HIS A 21 7.701 -3.466 1.389 1.00 0.45 C ATOM 271 NE2 HIS A 21 7.719 -3.029 0.141 1.00 0.42 N ATOM 0 H HIS A 21 10.056 -0.087 -0.420 1.00 0.53 H new ATOM 0 HA HIS A 21 8.185 1.140 1.221 1.00 0.57 H new ATOM 0 HB2 HIS A 21 10.585 -0.580 1.952 1.00 0.54 H new ATOM 0 HB3 HIS A 21 9.230 -0.247 3.013 1.00 0.54 H new ATOM 0 HD1 HIS A 21 8.458 -2.677 3.144 1.00 0.48 H new ATOM 0 HD2 HIS A 21 8.567 -1.210 -0.759 1.00 0.44 H new ATOM 0 HE1 HIS A 21 7.251 -4.386 1.733 1.00 0.45 H new ATOM 279 N ARG A 22 11.291 1.938 2.062 1.00 0.68 N ATOM 280 CA ARG A 22 12.102 2.952 2.720 1.00 0.80 C ATOM 281 C ARG A 22 11.803 4.332 2.143 1.00 0.81 C ATOM 282 O ARG A 22 11.969 5.347 2.819 1.00 0.92 O ATOM 283 CB ARG A 22 13.582 2.629 2.547 1.00 0.93 C ATOM 284 CG ARG A 22 13.979 2.590 1.074 1.00 1.64 C ATOM 285 CD ARG A 22 15.476 2.820 0.889 1.00 2.14 C ATOM 286 NE ARG A 22 15.717 4.114 0.261 1.00 2.73 N ATOM 287 CZ ARG A 22 16.869 4.393 -0.340 1.00 3.33 C ATOM 288 NH1 ARG A 22 17.071 4.019 -1.596 1.00 3.72 N ATOM 289 NH2 ARG A 22 17.819 5.047 0.315 1.00 3.95 N ATOM 0 H ARG A 22 11.817 1.135 1.718 1.00 0.68 H new ATOM 0 HA ARG A 22 11.857 2.956 3.782 1.00 0.80 H new ATOM 0 HB2 ARG A 22 14.181 3.377 3.067 1.00 0.93 H new ATOM 0 HB3 ARG A 22 13.802 1.667 3.009 1.00 0.93 H new ATOM 0 HG2 ARG A 22 13.703 1.625 0.648 1.00 1.64 H new ATOM 0 HG3 ARG A 22 13.423 3.351 0.527 1.00 1.64 H new ATOM 0 HD2 ARG A 22 15.979 2.778 1.855 1.00 2.14 H new ATOM 0 HD3 ARG A 22 15.899 2.026 0.274 1.00 2.14 H new ATOM 0 HE ARG A 22 14.983 4.822 0.284 1.00 2.73 H new ATOM 0 HH11 ARG A 22 16.342 3.517 -2.102 1.00 3.72 H new ATOM 0 HH12 ARG A 22 17.956 4.234 -2.056 1.00 3.72 H new ATOM 0 HH21 ARG A 22 17.666 5.336 1.281 1.00 3.95 H new ATOM 0 HH22 ARG A 22 18.703 5.261 -0.147 1.00 3.95 H new ATOM 303 N HIS A 23 11.360 4.356 0.890 1.00 0.90 N ATOM 304 CA HIS A 23 11.033 5.606 0.213 1.00 0.98 C ATOM 305 C HIS A 23 9.616 6.047 0.559 1.00 0.96 C ATOM 306 O HIS A 23 9.354 7.232 0.762 1.00 1.12 O ATOM 307 CB HIS A 23 11.162 5.426 -1.299 1.00 1.02 C ATOM 308 CG HIS A 23 12.354 6.127 -1.872 1.00 1.30 C ATOM 309 ND1 HIS A 23 12.708 7.408 -1.536 1.00 1.83 N ATOM 310 CD2 HIS A 23 13.292 5.731 -2.771 1.00 1.56 C ATOM 311 CE1 HIS A 23 13.789 7.783 -2.179 1.00 2.07 C ATOM 312 NE2 HIS A 23 14.176 6.778 -2.948 1.00 1.86 N ATOM 0 H HIS A 23 11.219 3.521 0.321 1.00 0.90 H new ATOM 0 HA HIS A 23 11.730 6.375 0.548 1.00 0.98 H new ATOM 0 HB2 HIS A 23 11.228 4.362 -1.528 1.00 1.02 H new ATOM 0 HB3 HIS A 23 10.260 5.801 -1.782 1.00 1.02 H new ATOM 0 HD2 HIS A 23 13.339 4.769 -3.260 1.00 1.56 H new ATOM 0 HE1 HIS A 23 14.277 8.743 -2.095 1.00 2.07 H new ATOM 0 HE2 HIS A 23 14.988 6.777 -3.566 1.00 1.86 H new ATOM 320 N LEU A 24 8.703 5.083 0.623 1.00 0.86 N ATOM 321 CA LEU A 24 7.308 5.362 0.941 1.00 0.87 C ATOM 322 C LEU A 24 7.157 5.738 2.408 1.00 0.97 C ATOM 323 O LEU A 24 6.612 6.793 2.734 1.00 1.16 O ATOM 324 CB LEU A 24 6.451 4.139 0.632 1.00 0.73 C ATOM 325 CG LEU A 24 6.333 3.902 -0.870 1.00 0.76 C ATOM 326 CD1 LEU A 24 6.387 2.410 -1.187 1.00 0.72 C ATOM 327 CD2 LEU A 24 5.050 4.523 -1.415 1.00 1.25 C ATOM 0 H LEU A 24 8.906 4.097 0.458 1.00 0.86 H new ATOM 0 HA LEU A 24 6.975 6.201 0.330 1.00 0.87 H new ATOM 0 HB2 LEU A 24 6.886 3.260 1.107 1.00 0.73 H new ATOM 0 HB3 LEU A 24 5.457 4.273 1.059 1.00 0.73 H new ATOM 0 HG LEU A 24 7.179 4.385 -1.358 1.00 0.76 H new ATOM 0 HD11 LEU A 24 6.301 2.263 -2.264 1.00 0.72 H new ATOM 0 HD12 LEU A 24 7.334 1.998 -0.839 1.00 0.72 H new ATOM 0 HD13 LEU A 24 5.564 1.901 -0.685 1.00 0.72 H new ATOM 0 HD21 LEU A 24 4.986 4.342 -2.488 1.00 1.25 H new ATOM 0 HD22 LEU A 24 4.189 4.074 -0.919 1.00 1.25 H new ATOM 0 HD23 LEU A 24 5.057 5.597 -1.228 1.00 1.25 H new ATOM 339 N ILE A 25 7.636 4.869 3.289 1.00 0.92 N ATOM 340 CA ILE A 25 7.548 5.110 4.723 1.00 1.10 C ATOM 341 C ILE A 25 8.164 6.460 5.081 1.00 1.41 C ATOM 342 O ILE A 25 7.823 7.059 6.101 1.00 1.91 O ATOM 343 CB ILE A 25 8.239 3.979 5.490 1.00 0.94 C ATOM 344 CG1 ILE A 25 9.755 4.014 5.308 1.00 0.90 C ATOM 345 CG2 ILE A 25 7.691 2.624 5.058 1.00 1.06 C ATOM 346 CD1 ILE A 25 10.463 3.452 6.536 1.00 0.91 C ATOM 0 H ILE A 25 8.089 3.991 3.035 1.00 0.92 H new ATOM 0 HA ILE A 25 6.496 5.133 5.009 1.00 1.10 H new ATOM 0 HB ILE A 25 8.026 4.128 6.548 1.00 0.94 H new ATOM 0 HG12 ILE A 25 10.033 3.436 4.427 1.00 0.90 H new ATOM 0 HG13 ILE A 25 10.081 5.039 5.133 1.00 0.90 H new ATOM 0 HG21 ILE A 25 8.195 1.834 5.614 1.00 1.06 H new ATOM 0 HG22 ILE A 25 6.620 2.584 5.259 1.00 1.06 H new ATOM 0 HG23 ILE A 25 7.865 2.484 3.991 1.00 1.06 H new ATOM 0 HD11 ILE A 25 11.542 3.488 6.382 1.00 0.91 H new ATOM 0 HD12 ILE A 25 10.201 4.047 7.411 1.00 0.91 H new ATOM 0 HD13 ILE A 25 10.153 2.419 6.694 1.00 0.91 H new ATOM 358 N GLY A 26 9.070 6.939 4.233 1.00 1.49 N ATOM 359 CA GLY A 26 9.731 8.220 4.457 1.00 1.87 C ATOM 360 C GLY A 26 10.475 8.229 5.785 1.00 1.82 C ATOM 361 O GLY A 26 11.537 7.621 5.917 1.00 2.29 O ATOM 0 H GLY A 26 9.363 6.458 3.383 1.00 1.49 H new ATOM 0 HA2 GLY A 26 10.429 8.419 3.644 1.00 1.87 H new ATOM 0 HA3 GLY A 26 8.992 9.021 4.446 1.00 1.87 H new ATOM 365 N LYS A 27 9.911 8.923 6.768 1.00 1.86 N ATOM 366 CA LYS A 27 10.520 9.016 8.090 1.00 1.91 C ATOM 367 C LYS A 27 9.602 8.411 9.144 1.00 1.62 C ATOM 368 O LYS A 27 8.593 9.008 9.519 1.00 2.38 O ATOM 369 CB LYS A 27 10.808 10.475 8.430 1.00 2.21 C ATOM 370 CG LYS A 27 12.278 10.695 8.774 1.00 2.65 C ATOM 371 CD LYS A 27 12.635 12.178 8.787 1.00 3.30 C ATOM 372 CE LYS A 27 12.910 12.702 7.381 1.00 3.80 C ATOM 373 NZ LYS A 27 14.298 13.231 7.263 1.00 4.51 N ATOM 0 H LYS A 27 9.031 9.430 6.674 1.00 1.86 H new ATOM 0 HA LYS A 27 11.456 8.458 8.080 1.00 1.91 H new ATOM 0 HB2 LYS A 27 10.534 11.107 7.585 1.00 2.21 H new ATOM 0 HB3 LYS A 27 10.187 10.782 9.272 1.00 2.21 H new ATOM 0 HG2 LYS A 27 12.493 10.260 9.750 1.00 2.65 H new ATOM 0 HG3 LYS A 27 12.904 10.176 8.048 1.00 2.65 H new ATOM 0 HD2 LYS A 27 11.819 12.745 9.234 1.00 3.30 H new ATOM 0 HD3 LYS A 27 13.513 12.336 9.413 1.00 3.30 H new ATOM 0 HE2 LYS A 27 12.761 11.901 6.656 1.00 3.80 H new ATOM 0 HE3 LYS A 27 12.196 13.489 7.138 1.00 3.80 H new ATOM 0 HZ1 LYS A 27 14.455 13.580 6.296 1.00 4.51 H new ATOM 0 HZ2 LYS A 27 14.431 14.010 7.938 1.00 4.51 H new ATOM 0 HZ3 LYS A 27 14.978 12.472 7.472 1.00 4.51 H new ATOM 387 N SER A 28 9.958 7.223 9.622 1.00 1.28 N ATOM 388 CA SER A 28 9.166 6.536 10.634 1.00 1.60 C ATOM 389 C SER A 28 7.817 6.112 10.064 1.00 1.60 C ATOM 390 O SER A 28 6.847 5.943 10.802 1.00 2.28 O ATOM 391 CB SER A 28 8.954 7.451 11.837 1.00 1.99 C ATOM 392 OG SER A 28 9.140 6.727 13.045 1.00 2.57 O ATOM 0 H SER A 28 10.791 6.716 9.324 1.00 1.28 H new ATOM 0 HA SER A 28 9.707 5.644 10.949 1.00 1.60 H new ATOM 0 HB2 SER A 28 9.652 8.287 11.795 1.00 1.99 H new ATOM 0 HB3 SER A 28 7.950 7.873 11.809 1.00 1.99 H new ATOM 0 HG SER A 28 9.003 7.325 13.809 1.00 2.57 H new ATOM 398 N GLY A 29 7.763 5.938 8.746 1.00 1.21 N ATOM 399 CA GLY A 29 6.532 5.531 8.077 1.00 1.23 C ATOM 400 C GLY A 29 5.433 6.564 8.275 1.00 1.36 C ATOM 401 O GLY A 29 4.865 6.685 9.361 1.00 2.05 O ATOM 0 H GLY A 29 8.558 6.073 8.121 1.00 1.21 H new ATOM 0 HA2 GLY A 29 6.721 5.396 7.012 1.00 1.23 H new ATOM 0 HA3 GLY A 29 6.204 4.567 8.467 1.00 1.23 H new ATOM 405 N ALA A 30 5.141 7.312 7.216 1.00 1.00 N ATOM 406 CA ALA A 30 4.111 8.344 7.263 1.00 1.10 C ATOM 407 C ALA A 30 3.156 8.219 6.079 1.00 1.06 C ATOM 408 O ALA A 30 1.947 8.402 6.227 1.00 1.43 O ATOM 409 CB ALA A 30 4.759 9.726 7.262 1.00 1.27 C ATOM 0 H ALA A 30 5.605 7.222 6.312 1.00 1.00 H new ATOM 0 HA ALA A 30 3.538 8.212 8.181 1.00 1.10 H new ATOM 0 HB1 ALA A 30 3.984 10.491 7.297 1.00 1.27 H new ATOM 0 HB2 ALA A 30 5.406 9.825 8.133 1.00 1.27 H new ATOM 0 HB3 ALA A 30 5.350 9.850 6.355 1.00 1.27 H new ATOM 415 N ASN A 31 3.701 7.909 4.903 1.00 0.73 N ATOM 416 CA ASN A 31 2.894 7.765 3.692 1.00 0.69 C ATOM 417 C ASN A 31 1.660 6.909 3.957 1.00 0.60 C ATOM 418 O ASN A 31 0.556 7.249 3.532 1.00 0.58 O ATOM 419 CB ASN A 31 3.730 7.135 2.581 1.00 0.71 C ATOM 420 CG ASN A 31 2.941 7.103 1.280 1.00 1.24 C ATOM 421 OD1 ASN A 31 2.204 8.040 0.966 1.00 1.91 O ATOM 422 ND2 ASN A 31 3.093 6.026 0.519 1.00 1.42 N ATOM 0 H ASN A 31 4.699 7.753 4.763 1.00 0.73 H new ATOM 0 HA ASN A 31 2.565 8.757 3.382 1.00 0.69 H new ATOM 0 HB2 ASN A 31 4.650 7.703 2.442 1.00 0.71 H new ATOM 0 HB3 ASN A 31 4.019 6.123 2.864 1.00 0.71 H new ATOM 0 HD21 ASN A 31 2.589 5.951 -0.365 1.00 1.42 H new ATOM 0 HD22 ASN A 31 3.714 5.274 0.818 1.00 1.42 H new ATOM 429 N ILE A 32 1.853 5.798 4.664 1.00 0.58 N ATOM 430 CA ILE A 32 0.754 4.893 4.987 1.00 0.56 C ATOM 431 C ILE A 32 -0.415 5.667 5.582 1.00 0.52 C ATOM 432 O ILE A 32 -1.571 5.430 5.231 1.00 0.51 O ATOM 433 CB ILE A 32 1.228 3.827 5.969 1.00 0.63 C ATOM 434 CG1 ILE A 32 1.825 4.471 7.217 1.00 0.70 C ATOM 435 CG2 ILE A 32 2.241 2.893 5.311 1.00 0.69 C ATOM 436 CD1 ILE A 32 2.342 3.422 8.196 1.00 1.07 C ATOM 0 H ILE A 32 2.761 5.503 5.024 1.00 0.58 H new ATOM 0 HA ILE A 32 0.420 4.409 4.069 1.00 0.56 H new ATOM 0 HB ILE A 32 0.363 3.235 6.268 1.00 0.63 H new ATOM 0 HG12 ILE A 32 2.640 5.135 6.930 1.00 0.70 H new ATOM 0 HG13 ILE A 32 1.070 5.086 7.707 1.00 0.70 H new ATOM 0 HG21 ILE A 32 2.564 2.141 6.031 1.00 0.69 H new ATOM 0 HG22 ILE A 32 1.779 2.401 4.455 1.00 0.69 H new ATOM 0 HG23 ILE A 32 3.103 3.469 4.976 1.00 0.69 H new ATOM 0 HD11 ILE A 32 2.760 3.917 9.073 1.00 1.07 H new ATOM 0 HD12 ILE A 32 1.521 2.774 8.502 1.00 1.07 H new ATOM 0 HD13 ILE A 32 3.115 2.824 7.714 1.00 1.07 H new ATOM 448 N ASN A 33 -0.107 6.597 6.478 1.00 0.56 N ATOM 449 CA ASN A 33 -1.133 7.412 7.116 1.00 0.59 C ATOM 450 C ASN A 33 -1.789 8.328 6.092 1.00 0.54 C ATOM 451 O ASN A 33 -2.991 8.581 6.150 1.00 0.55 O ATOM 452 CB ASN A 33 -0.518 8.242 8.240 1.00 0.71 C ATOM 453 CG ASN A 33 -1.470 8.317 9.425 1.00 0.97 C ATOM 454 OD1 ASN A 33 -1.798 9.403 9.904 1.00 1.51 O ATOM 455 ND2 ASN A 33 -1.919 7.161 9.900 1.00 1.62 N ATOM 0 H ASN A 33 0.845 6.805 6.779 1.00 0.56 H new ATOM 0 HA ASN A 33 -1.893 6.753 7.536 1.00 0.59 H new ATOM 0 HB2 ASN A 33 0.428 7.799 8.552 1.00 0.71 H new ATOM 0 HB3 ASN A 33 -0.296 9.246 7.880 1.00 0.71 H new ATOM 0 HD21 ASN A 33 -2.562 7.150 10.692 1.00 1.62 H new ATOM 0 HD22 ASN A 33 -1.621 6.284 9.473 1.00 1.62 H new ATOM 462 N ARG A 34 -0.987 8.822 5.152 1.00 0.55 N ATOM 463 CA ARG A 34 -1.486 9.709 4.109 1.00 0.56 C ATOM 464 C ARG A 34 -2.503 8.986 3.236 1.00 0.48 C ATOM 465 O ARG A 34 -3.629 9.450 3.067 1.00 0.48 O ATOM 466 CB ARG A 34 -0.329 10.210 3.249 1.00 0.65 C ATOM 467 CG ARG A 34 -0.768 11.338 2.317 1.00 0.89 C ATOM 468 CD ARG A 34 0.156 12.548 2.423 1.00 1.22 C ATOM 469 NE ARG A 34 0.137 13.087 3.778 1.00 1.69 N ATOM 470 CZ ARG A 34 -0.359 14.291 4.045 1.00 2.27 C ATOM 471 NH1 ARG A 34 0.034 15.344 3.342 1.00 2.78 N ATOM 472 NH2 ARG A 34 -1.248 14.442 5.017 1.00 2.90 N ATOM 0 H ARG A 34 0.011 8.622 5.093 1.00 0.55 H new ATOM 0 HA ARG A 34 -1.974 10.560 4.584 1.00 0.56 H new ATOM 0 HB2 ARG A 34 0.477 10.562 3.892 1.00 0.65 H new ATOM 0 HB3 ARG A 34 0.071 9.385 2.659 1.00 0.65 H new ATOM 0 HG2 ARG A 34 -0.779 10.977 1.289 1.00 0.89 H new ATOM 0 HG3 ARG A 34 -1.788 11.636 2.561 1.00 0.89 H new ATOM 0 HD2 ARG A 34 1.173 12.262 2.153 1.00 1.22 H new ATOM 0 HD3 ARG A 34 -0.157 13.316 1.715 1.00 1.22 H new ATOM 0 HE ARG A 34 0.514 12.525 4.541 1.00 1.69 H new ATOM 0 HH11 ARG A 34 0.718 15.231 2.594 1.00 2.78 H new ATOM 0 HH12 ARG A 34 -0.348 16.267 3.549 1.00 2.78 H new ATOM 0 HH21 ARG A 34 -1.552 13.634 5.560 1.00 2.90 H new ATOM 0 HH22 ARG A 34 -1.628 15.366 5.221 1.00 2.90 H new ATOM 486 N ILE A 35 -2.103 7.843 2.689 1.00 0.45 N ATOM 487 CA ILE A 35 -2.984 7.053 1.836 1.00 0.40 C ATOM 488 C ILE A 35 -4.174 6.535 2.634 1.00 0.34 C ATOM 489 O ILE A 35 -5.327 6.775 2.277 1.00 0.34 O ATOM 490 CB ILE A 35 -2.216 5.881 1.234 1.00 0.41 C ATOM 491 CG1 ILE A 35 -0.957 6.370 0.523 1.00 0.54 C ATOM 492 CG2 ILE A 35 -3.100 5.091 0.274 1.00 0.40 C ATOM 493 CD1 ILE A 35 -1.282 7.412 -0.544 1.00 1.29 C ATOM 0 H ILE A 35 -1.174 7.443 2.821 1.00 0.45 H new ATOM 0 HA ILE A 35 -3.352 7.691 1.032 1.00 0.40 H new ATOM 0 HB ILE A 35 -1.917 5.219 2.046 1.00 0.41 H new ATOM 0 HG12 ILE A 35 -0.270 6.798 1.253 1.00 0.54 H new ATOM 0 HG13 ILE A 35 -0.447 5.524 0.062 1.00 0.54 H new ATOM 0 HG21 ILE A 35 -2.532 4.260 -0.144 1.00 0.40 H new ATOM 0 HG22 ILE A 35 -3.966 4.705 0.811 1.00 0.40 H new ATOM 0 HG23 ILE A 35 -3.435 5.743 -0.533 1.00 0.40 H new ATOM 0 HD11 ILE A 35 -0.361 7.736 -1.028 1.00 1.29 H new ATOM 0 HD12 ILE A 35 -1.949 6.976 -1.288 1.00 1.29 H new ATOM 0 HD13 ILE A 35 -1.769 8.269 -0.079 1.00 1.29 H new ATOM 505 N LYS A 36 -3.883 5.818 3.719 1.00 0.35 N ATOM 506 CA LYS A 36 -4.919 5.249 4.585 1.00 0.36 C ATOM 507 C LYS A 36 -6.083 6.218 4.782 1.00 0.39 C ATOM 508 O LYS A 36 -7.246 5.818 4.748 1.00 0.51 O ATOM 509 CB LYS A 36 -4.319 4.897 5.942 1.00 0.44 C ATOM 510 CG LYS A 36 -3.727 3.492 5.946 1.00 1.09 C ATOM 511 CD LYS A 36 -3.843 2.839 7.321 1.00 1.41 C ATOM 512 CE LYS A 36 -2.868 1.675 7.476 1.00 2.17 C ATOM 513 NZ LYS A 36 -2.459 1.496 8.896 1.00 2.76 N ATOM 0 H LYS A 36 -2.930 5.615 4.022 1.00 0.35 H new ATOM 0 HA LYS A 36 -5.303 4.351 4.100 1.00 0.36 H new ATOM 0 HB2 LYS A 36 -3.544 5.620 6.196 1.00 0.44 H new ATOM 0 HB3 LYS A 36 -5.088 4.971 6.711 1.00 0.44 H new ATOM 0 HG2 LYS A 36 -4.240 2.878 5.206 1.00 1.09 H new ATOM 0 HG3 LYS A 36 -2.679 3.537 5.651 1.00 1.09 H new ATOM 0 HD2 LYS A 36 -3.649 3.582 8.095 1.00 1.41 H new ATOM 0 HD3 LYS A 36 -4.862 2.483 7.470 1.00 1.41 H new ATOM 0 HE2 LYS A 36 -3.332 0.759 7.111 1.00 2.17 H new ATOM 0 HE3 LYS A 36 -1.986 1.853 6.861 1.00 2.17 H new ATOM 0 HZ1 LYS A 36 -1.797 0.698 8.968 1.00 2.76 H new ATOM 0 HZ2 LYS A 36 -1.995 2.363 9.236 1.00 2.76 H new ATOM 0 HZ3 LYS A 36 -3.299 1.302 9.478 1.00 2.76 H new ATOM 527 N ASP A 37 -5.763 7.491 4.994 1.00 0.40 N ATOM 528 CA ASP A 37 -6.782 8.511 5.203 1.00 0.45 C ATOM 529 C ASP A 37 -7.272 9.066 3.872 1.00 0.44 C ATOM 530 O ASP A 37 -8.476 9.117 3.614 1.00 0.60 O ATOM 531 CB ASP A 37 -6.217 9.637 6.054 1.00 0.51 C ATOM 532 CG ASP A 37 -7.194 10.005 7.163 1.00 0.82 C ATOM 533 OD1 ASP A 37 -7.245 9.277 8.176 1.00 1.56 O ATOM 534 OD2 ASP A 37 -7.905 11.022 7.017 1.00 1.37 O ATOM 0 H ASP A 37 -4.805 7.840 5.025 1.00 0.40 H new ATOM 0 HA ASP A 37 -7.627 8.055 5.719 1.00 0.45 H new ATOM 0 HB2 ASP A 37 -5.264 9.332 6.486 1.00 0.51 H new ATOM 0 HB3 ASP A 37 -6.019 10.509 5.430 1.00 0.51 H new ATOM 539 N GLN A 38 -6.333 9.485 3.033 1.00 0.41 N ATOM 540 CA GLN A 38 -6.663 10.043 1.725 1.00 0.46 C ATOM 541 C GLN A 38 -7.626 9.134 0.974 1.00 0.42 C ATOM 542 O GLN A 38 -8.599 9.601 0.383 1.00 0.68 O ATOM 543 CB GLN A 38 -5.389 10.236 0.907 1.00 0.54 C ATOM 544 CG GLN A 38 -5.620 11.165 -0.281 1.00 0.65 C ATOM 545 CD GLN A 38 -6.143 12.513 0.196 1.00 1.05 C ATOM 546 OE1 GLN A 38 -5.724 13.022 1.234 1.00 1.65 O ATOM 547 NE2 GLN A 38 -7.063 13.093 -0.567 1.00 1.66 N ATOM 0 H GLN A 38 -5.334 9.449 3.235 1.00 0.41 H new ATOM 0 HA GLN A 38 -7.147 11.008 1.876 1.00 0.46 H new ATOM 0 HB2 GLN A 38 -4.606 10.647 1.544 1.00 0.54 H new ATOM 0 HB3 GLN A 38 -5.035 9.269 0.550 1.00 0.54 H new ATOM 0 HG2 GLN A 38 -4.689 11.302 -0.830 1.00 0.65 H new ATOM 0 HG3 GLN A 38 -6.333 10.714 -0.971 1.00 0.65 H new ATOM 0 HE21 GLN A 38 -7.381 12.634 -1.420 1.00 1.66 H new ATOM 0 HE22 GLN A 38 -7.451 13.998 -0.299 1.00 1.66 H new ATOM 556 N TYR A 39 -7.349 7.834 0.994 1.00 0.34 N ATOM 557 CA TYR A 39 -8.195 6.864 0.307 1.00 0.34 C ATOM 558 C TYR A 39 -8.991 6.014 1.295 1.00 0.30 C ATOM 559 O TYR A 39 -9.598 5.017 0.907 1.00 0.32 O ATOM 560 CB TYR A 39 -7.337 5.960 -0.573 1.00 0.39 C ATOM 561 CG TYR A 39 -6.543 6.719 -1.605 1.00 0.46 C ATOM 562 CD1 TYR A 39 -5.310 7.255 -1.277 1.00 0.53 C ATOM 563 CD2 TYR A 39 -7.043 6.880 -2.886 1.00 0.64 C ATOM 564 CE1 TYR A 39 -4.581 7.952 -2.225 1.00 0.62 C ATOM 565 CE2 TYR A 39 -6.313 7.576 -3.834 1.00 0.73 C ATOM 566 CZ TYR A 39 -5.085 8.109 -3.499 1.00 0.66 C ATOM 567 OH TYR A 39 -4.360 8.799 -4.442 1.00 0.77 O ATOM 0 H TYR A 39 -6.547 7.429 1.477 1.00 0.34 H new ATOM 0 HA TYR A 39 -8.903 7.416 -0.310 1.00 0.34 H new ATOM 0 HB2 TYR A 39 -6.653 5.393 0.058 1.00 0.39 H new ATOM 0 HB3 TYR A 39 -7.979 5.238 -1.077 1.00 0.39 H new ATOM 0 HD1 TYR A 39 -4.916 7.129 -0.279 1.00 0.53 H new ATOM 0 HD2 TYR A 39 -8.004 6.462 -3.146 1.00 0.64 H new ATOM 0 HE1 TYR A 39 -3.620 8.372 -1.968 1.00 0.62 H new ATOM 0 HE2 TYR A 39 -6.703 7.702 -4.833 1.00 0.73 H new ATOM 0 HH TYR A 39 -4.727 8.619 -5.333 1.00 0.77 H new ATOM 577 N LYS A 40 -8.994 6.403 2.572 1.00 0.28 N ATOM 578 CA LYS A 40 -9.726 5.658 3.596 1.00 0.31 C ATOM 579 C LYS A 40 -9.429 4.165 3.482 1.00 0.29 C ATOM 580 O LYS A 40 -10.336 3.334 3.497 1.00 0.39 O ATOM 581 CB LYS A 40 -11.225 5.909 3.444 1.00 0.38 C ATOM 582 CG LYS A 40 -11.753 6.830 4.541 1.00 0.86 C ATOM 583 CD LYS A 40 -12.629 6.073 5.534 1.00 1.29 C ATOM 584 CE LYS A 40 -11.808 5.105 6.383 1.00 1.88 C ATOM 585 NZ LYS A 40 -12.049 5.323 7.837 1.00 2.56 N ATOM 0 H LYS A 40 -8.500 7.225 2.919 1.00 0.28 H new ATOM 0 HA LYS A 40 -9.404 6.000 4.579 1.00 0.31 H new ATOM 0 HB2 LYS A 40 -11.423 6.353 2.468 1.00 0.38 H new ATOM 0 HB3 LYS A 40 -11.759 4.959 3.477 1.00 0.38 H new ATOM 0 HG2 LYS A 40 -10.915 7.287 5.068 1.00 0.86 H new ATOM 0 HG3 LYS A 40 -12.327 7.640 4.092 1.00 0.86 H new ATOM 0 HD2 LYS A 40 -13.141 6.783 6.183 1.00 1.29 H new ATOM 0 HD3 LYS A 40 -13.399 5.522 4.994 1.00 1.29 H new ATOM 0 HE2 LYS A 40 -12.065 4.079 6.119 1.00 1.88 H new ATOM 0 HE3 LYS A 40 -10.748 5.235 6.164 1.00 1.88 H new ATOM 0 HZ1 LYS A 40 -11.478 4.651 8.388 1.00 2.56 H new ATOM 0 HZ2 LYS A 40 -11.781 6.295 8.091 1.00 2.56 H new ATOM 0 HZ3 LYS A 40 -13.057 5.175 8.048 1.00 2.56 H new ATOM 599 N VAL A 41 -8.150 3.835 3.350 1.00 0.23 N ATOM 600 CA VAL A 41 -7.726 2.447 3.211 1.00 0.23 C ATOM 601 C VAL A 41 -6.739 2.062 4.307 1.00 0.27 C ATOM 602 O VAL A 41 -6.458 2.849 5.211 1.00 0.33 O ATOM 603 CB VAL A 41 -7.084 2.250 1.843 1.00 0.23 C ATOM 604 CG1 VAL A 41 -8.141 2.266 0.744 1.00 0.25 C ATOM 605 CG2 VAL A 41 -6.030 3.323 1.588 1.00 0.23 C ATOM 0 H VAL A 41 -7.387 4.511 3.336 1.00 0.23 H new ATOM 0 HA VAL A 41 -8.602 1.805 3.305 1.00 0.23 H new ATOM 0 HB VAL A 41 -6.595 1.276 1.832 1.00 0.23 H new ATOM 0 HG11 VAL A 41 -7.661 2.124 -0.224 1.00 0.25 H new ATOM 0 HG12 VAL A 41 -8.857 1.462 0.916 1.00 0.25 H new ATOM 0 HG13 VAL A 41 -8.662 3.224 0.754 1.00 0.25 H new ATOM 0 HG21 VAL A 41 -5.582 3.167 0.607 1.00 0.23 H new ATOM 0 HG22 VAL A 41 -6.497 4.307 1.621 1.00 0.23 H new ATOM 0 HG23 VAL A 41 -5.257 3.263 2.354 1.00 0.23 H new ATOM 615 N SER A 42 -6.215 0.843 4.216 1.00 0.29 N ATOM 616 CA SER A 42 -5.256 0.343 5.192 1.00 0.34 C ATOM 617 C SER A 42 -4.054 -0.274 4.485 1.00 0.30 C ATOM 618 O SER A 42 -4.000 -1.487 4.278 1.00 0.36 O ATOM 619 CB SER A 42 -5.918 -0.697 6.090 1.00 0.43 C ATOM 620 OG SER A 42 -6.192 -0.143 7.370 1.00 0.93 O ATOM 0 H SER A 42 -6.441 0.182 3.473 1.00 0.29 H new ATOM 0 HA SER A 42 -4.914 1.178 5.804 1.00 0.34 H new ATOM 0 HB2 SER A 42 -6.843 -1.046 5.632 1.00 0.43 H new ATOM 0 HB3 SER A 42 -5.267 -1.565 6.194 1.00 0.43 H new ATOM 0 HG SER A 42 -6.618 -0.821 7.935 1.00 0.93 H new ATOM 626 N VAL A 43 -3.094 0.568 4.116 1.00 0.33 N ATOM 627 CA VAL A 43 -1.891 0.107 3.432 1.00 0.34 C ATOM 628 C VAL A 43 -0.820 -0.276 4.446 1.00 0.35 C ATOM 629 O VAL A 43 -0.651 0.394 5.464 1.00 0.55 O ATOM 630 CB VAL A 43 -1.364 1.199 2.504 1.00 0.49 C ATOM 631 CG1 VAL A 43 -0.901 2.413 3.306 1.00 1.25 C ATOM 632 CG2 VAL A 43 -0.232 0.668 1.628 1.00 0.54 C ATOM 0 H VAL A 43 -3.126 1.574 4.279 1.00 0.33 H new ATOM 0 HA VAL A 43 -2.143 -0.772 2.838 1.00 0.34 H new ATOM 0 HB VAL A 43 -2.180 1.511 1.852 1.00 0.49 H new ATOM 0 HG11 VAL A 43 -0.529 3.179 2.625 1.00 1.25 H new ATOM 0 HG12 VAL A 43 -1.738 2.812 3.878 1.00 1.25 H new ATOM 0 HG13 VAL A 43 -0.104 2.116 3.988 1.00 1.25 H new ATOM 0 HG21 VAL A 43 0.127 1.464 0.976 1.00 0.54 H new ATOM 0 HG22 VAL A 43 0.585 0.321 2.260 1.00 0.54 H new ATOM 0 HG23 VAL A 43 -0.599 -0.160 1.022 1.00 0.54 H new ATOM 642 N ARG A 44 -0.105 -1.359 4.166 1.00 0.31 N ATOM 643 CA ARG A 44 0.945 -1.834 5.057 1.00 0.42 C ATOM 644 C ARG A 44 2.248 -2.031 4.295 1.00 0.40 C ATOM 645 O ARG A 44 2.277 -2.690 3.256 1.00 0.41 O ATOM 646 CB ARG A 44 0.522 -3.151 5.703 1.00 0.52 C ATOM 647 CG ARG A 44 -0.907 -3.087 6.238 1.00 0.78 C ATOM 648 CD ARG A 44 -1.552 -4.469 6.282 1.00 1.05 C ATOM 649 NE ARG A 44 -0.876 -5.317 7.256 1.00 1.31 N ATOM 650 CZ ARG A 44 -1.540 -6.203 7.990 1.00 1.74 C ATOM 651 NH1 ARG A 44 -2.356 -5.792 8.952 1.00 2.27 N ATOM 652 NH2 ARG A 44 -1.388 -7.500 7.765 1.00 2.28 N ATOM 0 H ARG A 44 -0.234 -1.925 3.327 1.00 0.31 H new ATOM 0 HA ARG A 44 1.105 -1.085 5.832 1.00 0.42 H new ATOM 0 HB2 ARG A 44 0.601 -3.956 4.972 1.00 0.52 H new ATOM 0 HB3 ARG A 44 1.205 -3.392 6.518 1.00 0.52 H new ATOM 0 HG2 ARG A 44 -0.903 -2.655 7.239 1.00 0.78 H new ATOM 0 HG3 ARG A 44 -1.503 -2.426 5.608 1.00 0.78 H new ATOM 0 HD2 ARG A 44 -2.607 -4.377 6.541 1.00 1.05 H new ATOM 0 HD3 ARG A 44 -1.506 -4.930 5.295 1.00 1.05 H new ATOM 0 HE ARG A 44 0.133 -5.228 7.377 1.00 1.31 H new ATOM 0 HH11 ARG A 44 -2.474 -4.794 9.129 1.00 2.27 H new ATOM 0 HH12 ARG A 44 -2.865 -6.474 9.515 1.00 2.27 H new ATOM 0 HH21 ARG A 44 -0.760 -7.819 7.027 1.00 2.28 H new ATOM 0 HH22 ARG A 44 -1.899 -8.179 8.330 1.00 2.28 H new ATOM 666 N ILE A 45 3.326 -1.458 4.824 1.00 0.46 N ATOM 667 CA ILE A 45 4.643 -1.568 4.206 1.00 0.47 C ATOM 668 C ILE A 45 5.498 -2.572 4.985 1.00 0.53 C ATOM 669 O ILE A 45 6.072 -2.236 6.022 1.00 0.64 O ATOM 670 CB ILE A 45 5.310 -0.186 4.173 1.00 0.56 C ATOM 671 CG1 ILE A 45 4.601 0.722 3.170 1.00 0.59 C ATOM 672 CG2 ILE A 45 6.801 -0.282 3.840 1.00 0.60 C ATOM 673 CD1 ILE A 45 4.885 0.306 1.726 1.00 0.56 C ATOM 0 H ILE A 45 3.312 -0.910 5.684 1.00 0.46 H new ATOM 0 HA ILE A 45 4.542 -1.928 3.182 1.00 0.47 H new ATOM 0 HB ILE A 45 5.222 0.245 5.170 1.00 0.56 H new ATOM 0 HG12 ILE A 45 3.527 0.694 3.351 1.00 0.59 H new ATOM 0 HG13 ILE A 45 4.923 1.752 3.321 1.00 0.59 H new ATOM 0 HG21 ILE A 45 7.236 0.717 3.826 1.00 0.60 H new ATOM 0 HG22 ILE A 45 7.304 -0.886 4.595 1.00 0.60 H new ATOM 0 HG23 ILE A 45 6.926 -0.745 2.861 1.00 0.60 H new ATOM 0 HD11 ILE A 45 4.362 0.977 1.045 1.00 0.56 H new ATOM 0 HD12 ILE A 45 5.957 0.359 1.536 1.00 0.56 H new ATOM 0 HD13 ILE A 45 4.538 -0.715 1.567 1.00 0.56 H new ATOM 685 N PRO A 46 5.584 -3.824 4.498 1.00 0.48 N ATOM 686 CA PRO A 46 6.365 -4.875 5.161 1.00 0.58 C ATOM 687 C PRO A 46 7.864 -4.738 4.897 1.00 0.61 C ATOM 688 O PRO A 46 8.323 -4.940 3.773 1.00 0.56 O ATOM 689 CB PRO A 46 5.817 -6.163 4.552 1.00 0.57 C ATOM 690 CG PRO A 46 5.270 -5.776 3.219 1.00 0.47 C ATOM 691 CD PRO A 46 4.923 -4.310 3.275 1.00 0.41 C ATOM 0 HA PRO A 46 6.270 -4.835 6.246 1.00 0.58 H new ATOM 0 HB2 PRO A 46 6.601 -6.913 4.451 1.00 0.57 H new ATOM 0 HB3 PRO A 46 5.041 -6.596 5.183 1.00 0.57 H new ATOM 0 HG2 PRO A 46 6.003 -5.966 2.435 1.00 0.47 H new ATOM 0 HG3 PRO A 46 4.387 -6.369 2.981 1.00 0.47 H new ATOM 0 HD2 PRO A 46 5.283 -3.782 2.392 1.00 0.41 H new ATOM 0 HD3 PRO A 46 3.845 -4.158 3.319 1.00 0.41 H new ATOM 699 N PRO A 47 8.650 -4.395 5.933 1.00 0.74 N ATOM 700 CA PRO A 47 10.097 -4.236 5.804 1.00 0.81 C ATOM 701 C PRO A 47 10.835 -5.562 5.967 1.00 0.87 C ATOM 702 O PRO A 47 11.264 -5.912 7.066 1.00 1.53 O ATOM 703 CB PRO A 47 10.442 -3.271 6.933 1.00 0.98 C ATOM 704 CG PRO A 47 9.362 -3.437 7.959 1.00 1.03 C ATOM 705 CD PRO A 47 8.195 -4.133 7.305 1.00 0.85 C ATOM 0 HA PRO A 47 10.392 -3.873 4.819 1.00 0.81 H new ATOM 0 HB2 PRO A 47 11.421 -3.498 7.356 1.00 0.98 H new ATOM 0 HB3 PRO A 47 10.482 -2.244 6.570 1.00 0.98 H new ATOM 0 HG2 PRO A 47 9.727 -4.020 8.805 1.00 1.03 H new ATOM 0 HG3 PRO A 47 9.056 -2.466 8.349 1.00 1.03 H new ATOM 0 HD2 PRO A 47 7.942 -5.058 7.824 1.00 0.85 H new ATOM 0 HD3 PRO A 47 7.302 -3.508 7.315 1.00 0.85 H new ATOM 713 N ASP A 48 10.981 -6.293 4.868 1.00 1.32 N ATOM 714 CA ASP A 48 11.669 -7.578 4.889 1.00 1.46 C ATOM 715 C ASP A 48 11.867 -8.101 3.472 1.00 1.48 C ATOM 716 O ASP A 48 10.951 -8.668 2.876 1.00 2.18 O ATOM 717 CB ASP A 48 10.867 -8.587 5.705 1.00 2.16 C ATOM 718 CG ASP A 48 9.421 -8.126 5.839 1.00 2.56 C ATOM 719 OD1 ASP A 48 8.989 -7.277 5.032 1.00 3.03 O ATOM 720 OD2 ASP A 48 8.723 -8.614 6.752 1.00 3.01 O ATOM 0 H ASP A 48 10.632 -6.017 3.950 1.00 1.32 H new ATOM 0 HA ASP A 48 12.647 -7.439 5.351 1.00 1.46 H new ATOM 0 HB2 ASP A 48 10.901 -9.564 5.224 1.00 2.16 H new ATOM 0 HB3 ASP A 48 11.312 -8.703 6.693 1.00 2.16 H new ATOM 725 N SER A 49 13.068 -7.908 2.939 1.00 1.59 N ATOM 726 CA SER A 49 13.387 -8.360 1.589 1.00 2.11 C ATOM 727 C SER A 49 13.358 -9.881 1.515 1.00 1.90 C ATOM 728 O SER A 49 14.399 -10.535 1.581 1.00 2.33 O ATOM 729 CB SER A 49 14.764 -7.846 1.180 1.00 3.03 C ATOM 730 OG SER A 49 14.651 -6.603 0.504 1.00 3.81 O ATOM 0 H SER A 49 13.837 -7.442 3.420 1.00 1.59 H new ATOM 0 HA SER A 49 12.638 -7.964 0.903 1.00 2.11 H new ATOM 0 HB2 SER A 49 15.392 -7.730 2.063 1.00 3.03 H new ATOM 0 HB3 SER A 49 15.253 -8.575 0.534 1.00 3.03 H new ATOM 0 HG SER A 49 15.543 -6.286 0.250 1.00 3.81 H new ATOM 736 N GLU A 50 12.161 -10.440 1.376 1.00 1.92 N ATOM 737 CA GLU A 50 11.996 -11.885 1.289 1.00 2.27 C ATOM 738 C GLU A 50 11.380 -12.273 -0.049 1.00 2.09 C ATOM 739 O GLU A 50 10.209 -12.644 -0.120 1.00 2.74 O ATOM 740 CB GLU A 50 11.112 -12.380 2.431 1.00 3.06 C ATOM 741 CG GLU A 50 11.605 -13.714 2.984 1.00 3.83 C ATOM 742 CD GLU A 50 10.618 -14.825 2.649 1.00 4.43 C ATOM 743 OE1 GLU A 50 10.073 -14.817 1.525 1.00 4.97 O ATOM 744 OE2 GLU A 50 10.392 -15.701 3.510 1.00 4.75 O ATOM 0 H GLU A 50 11.290 -9.913 1.321 1.00 1.92 H new ATOM 0 HA GLU A 50 12.978 -12.351 1.369 1.00 2.27 H new ATOM 0 HB2 GLU A 50 11.097 -11.638 3.229 1.00 3.06 H new ATOM 0 HB3 GLU A 50 10.087 -12.488 2.078 1.00 3.06 H new ATOM 0 HG2 GLU A 50 12.583 -13.949 2.565 1.00 3.83 H new ATOM 0 HG3 GLU A 50 11.730 -13.643 4.065 1.00 3.83 H new ATOM 751 N LYS A 51 12.178 -12.183 -1.107 1.00 1.76 N ATOM 752 CA LYS A 51 11.715 -12.522 -2.448 1.00 1.77 C ATOM 753 C LYS A 51 10.469 -11.722 -2.800 1.00 1.55 C ATOM 754 O LYS A 51 9.365 -12.049 -2.365 1.00 2.20 O ATOM 755 CB LYS A 51 11.413 -14.015 -2.537 1.00 2.14 C ATOM 756 CG LYS A 51 12.645 -14.857 -2.218 1.00 2.60 C ATOM 757 CD LYS A 51 12.287 -16.094 -1.399 1.00 3.36 C ATOM 758 CE LYS A 51 11.186 -16.911 -2.069 1.00 4.12 C ATOM 759 NZ LYS A 51 10.983 -18.215 -1.378 1.00 4.81 N ATOM 0 H LYS A 51 13.150 -11.878 -1.062 1.00 1.76 H new ATOM 0 HA LYS A 51 12.504 -12.273 -3.158 1.00 1.77 H new ATOM 0 HB2 LYS A 51 10.610 -14.266 -1.844 1.00 2.14 H new ATOM 0 HB3 LYS A 51 11.056 -14.256 -3.539 1.00 2.14 H new ATOM 0 HG2 LYS A 51 13.127 -15.162 -3.147 1.00 2.60 H new ATOM 0 HG3 LYS A 51 13.366 -14.253 -1.668 1.00 2.60 H new ATOM 0 HD2 LYS A 51 13.174 -16.714 -1.269 1.00 3.36 H new ATOM 0 HD3 LYS A 51 11.962 -15.791 -0.404 1.00 3.36 H new ATOM 0 HE2 LYS A 51 10.255 -16.345 -2.062 1.00 4.12 H new ATOM 0 HE3 LYS A 51 11.445 -17.087 -3.113 1.00 4.12 H new ATOM 0 HZ1 LYS A 51 10.229 -18.748 -1.856 1.00 4.81 H new ATOM 0 HZ2 LYS A 51 11.866 -18.764 -1.406 1.00 4.81 H new ATOM 0 HZ3 LYS A 51 10.713 -18.045 -0.388 1.00 4.81 H new ATOM 773 N SER A 52 10.653 -10.672 -3.594 1.00 1.19 N ATOM 774 CA SER A 52 9.545 -9.821 -4.010 1.00 1.04 C ATOM 775 C SER A 52 8.883 -9.169 -2.801 1.00 0.92 C ATOM 776 O SER A 52 8.466 -9.851 -1.865 1.00 1.19 O ATOM 777 CB SER A 52 8.519 -10.644 -4.782 1.00 1.25 C ATOM 778 OG SER A 52 7.596 -11.252 -3.891 1.00 2.03 O ATOM 0 H SER A 52 11.561 -10.390 -3.963 1.00 1.19 H new ATOM 0 HA SER A 52 9.937 -9.035 -4.656 1.00 1.04 H new ATOM 0 HB2 SER A 52 7.986 -10.004 -5.486 1.00 1.25 H new ATOM 0 HB3 SER A 52 9.026 -11.410 -5.368 1.00 1.25 H new ATOM 0 HG SER A 52 8.011 -11.352 -3.009 1.00 2.03 H new ATOM 784 N ASN A 53 8.790 -7.843 -2.828 1.00 0.68 N ATOM 785 CA ASN A 53 8.179 -7.096 -1.735 1.00 0.61 C ATOM 786 C ASN A 53 6.741 -6.727 -2.081 1.00 0.59 C ATOM 787 O ASN A 53 6.466 -5.614 -2.529 1.00 0.99 O ATOM 788 CB ASN A 53 8.983 -5.830 -1.455 1.00 0.60 C ATOM 789 CG ASN A 53 9.644 -5.915 -0.087 1.00 0.89 C ATOM 790 OD1 ASN A 53 8.974 -5.846 0.944 1.00 1.68 O ATOM 791 ND2 ASN A 53 10.963 -6.066 -0.075 1.00 1.28 N ATOM 0 H ASN A 53 9.130 -7.264 -3.596 1.00 0.68 H new ATOM 0 HA ASN A 53 8.176 -7.724 -0.844 1.00 0.61 H new ATOM 0 HB2 ASN A 53 9.742 -5.696 -2.225 1.00 0.60 H new ATOM 0 HB3 ASN A 53 8.329 -4.959 -1.497 1.00 0.60 H new ATOM 0 HD21 ASN A 53 11.461 -6.130 0.813 1.00 1.28 H new ATOM 0 HD22 ASN A 53 11.478 -6.118 -0.954 1.00 1.28 H new ATOM 798 N LEU A 54 5.828 -7.669 -1.875 1.00 0.55 N ATOM 799 CA LEU A 54 4.418 -7.444 -2.170 1.00 0.51 C ATOM 800 C LEU A 54 3.742 -6.689 -1.032 1.00 0.44 C ATOM 801 O LEU A 54 3.405 -7.274 -0.002 1.00 0.57 O ATOM 802 CB LEU A 54 3.713 -8.779 -2.393 1.00 0.65 C ATOM 803 CG LEU A 54 4.048 -9.371 -3.760 1.00 0.82 C ATOM 804 CD1 LEU A 54 4.466 -10.832 -3.626 1.00 1.49 C ATOM 805 CD2 LEU A 54 2.863 -9.234 -4.713 1.00 1.49 C ATOM 0 H LEU A 54 6.039 -8.596 -1.505 1.00 0.55 H new ATOM 0 HA LEU A 54 4.349 -6.842 -3.076 1.00 0.51 H new ATOM 0 HB2 LEU A 54 4.005 -9.480 -1.611 1.00 0.65 H new ATOM 0 HB3 LEU A 54 2.635 -8.640 -2.310 1.00 0.65 H new ATOM 0 HG LEU A 54 4.886 -8.813 -4.177 1.00 0.82 H new ATOM 0 HD11 LEU A 54 4.700 -11.235 -4.611 1.00 1.49 H new ATOM 0 HD12 LEU A 54 5.346 -10.901 -2.987 1.00 1.49 H new ATOM 0 HD13 LEU A 54 3.651 -11.405 -3.184 1.00 1.49 H new ATOM 0 HD21 LEU A 54 3.123 -9.662 -5.681 1.00 1.49 H new ATOM 0 HD22 LEU A 54 2.003 -9.762 -4.302 1.00 1.49 H new ATOM 0 HD23 LEU A 54 2.616 -8.180 -4.837 1.00 1.49 H new ATOM 817 N ILE A 55 3.538 -5.389 -1.224 1.00 0.31 N ATOM 818 CA ILE A 55 2.892 -4.561 -0.213 1.00 0.26 C ATOM 819 C ILE A 55 1.481 -5.072 0.055 1.00 0.27 C ATOM 820 O ILE A 55 0.829 -5.614 -0.838 1.00 0.34 O ATOM 821 CB ILE A 55 2.839 -3.105 -0.677 1.00 0.27 C ATOM 822 CG1 ILE A 55 4.249 -2.560 -0.912 1.00 0.31 C ATOM 823 CG2 ILE A 55 2.094 -2.236 0.333 1.00 0.31 C ATOM 824 CD1 ILE A 55 4.227 -1.074 -1.273 1.00 0.35 C ATOM 0 H ILE A 55 3.811 -4.888 -2.069 1.00 0.31 H new ATOM 0 HA ILE A 55 3.472 -4.616 0.708 1.00 0.26 H new ATOM 0 HB ILE A 55 2.294 -3.074 -1.621 1.00 0.27 H new ATOM 0 HG12 ILE A 55 4.851 -2.708 -0.015 1.00 0.31 H new ATOM 0 HG13 ILE A 55 4.728 -3.122 -1.714 1.00 0.31 H new ATOM 0 HG21 ILE A 55 2.071 -1.205 -0.021 1.00 0.31 H new ATOM 0 HG22 ILE A 55 1.074 -2.604 0.447 1.00 0.31 H new ATOM 0 HG23 ILE A 55 2.604 -2.278 1.295 1.00 0.31 H new ATOM 0 HD11 ILE A 55 5.247 -0.723 -1.432 1.00 0.35 H new ATOM 0 HD12 ILE A 55 3.647 -0.930 -2.184 1.00 0.35 H new ATOM 0 HD13 ILE A 55 3.772 -0.509 -0.460 1.00 0.35 H new ATOM 836 N ARG A 56 1.012 -4.897 1.286 1.00 0.29 N ATOM 837 CA ARG A 56 -0.324 -5.343 1.664 1.00 0.32 C ATOM 838 C ARG A 56 -1.284 -4.162 1.729 1.00 0.29 C ATOM 839 O ARG A 56 -1.095 -3.241 2.524 1.00 0.42 O ATOM 840 CB ARG A 56 -0.275 -6.051 3.014 1.00 0.42 C ATOM 841 CG ARG A 56 0.376 -7.428 2.899 1.00 0.55 C ATOM 842 CD ARG A 56 1.382 -7.670 4.020 1.00 0.84 C ATOM 843 NE ARG A 56 1.910 -9.026 3.944 1.00 1.44 N ATOM 844 CZ ARG A 56 1.679 -9.922 4.899 1.00 1.77 C ATOM 845 NH1 ARG A 56 2.187 -9.747 6.112 1.00 2.19 N ATOM 846 NH2 ARG A 56 0.940 -10.992 4.642 1.00 2.33 N ATOM 0 H ARG A 56 1.537 -4.450 2.038 1.00 0.29 H new ATOM 0 HA ARG A 56 -0.684 -6.041 0.908 1.00 0.32 H new ATOM 0 HB2 ARG A 56 0.282 -5.442 3.726 1.00 0.42 H new ATOM 0 HB3 ARG A 56 -1.286 -6.157 3.408 1.00 0.42 H new ATOM 0 HG2 ARG A 56 -0.394 -8.199 2.928 1.00 0.55 H new ATOM 0 HG3 ARG A 56 0.877 -7.515 1.935 1.00 0.55 H new ATOM 0 HD2 ARG A 56 2.198 -6.951 3.947 1.00 0.84 H new ATOM 0 HD3 ARG A 56 0.904 -7.513 4.987 1.00 0.84 H new ATOM 0 HE ARG A 56 2.472 -9.295 3.136 1.00 1.44 H new ATOM 0 HH11 ARG A 56 2.756 -8.924 6.313 1.00 2.19 H new ATOM 0 HH12 ARG A 56 2.009 -10.435 6.844 1.00 2.19 H new ATOM 0 HH21 ARG A 56 0.548 -11.129 3.711 1.00 2.33 H new ATOM 0 HH22 ARG A 56 0.764 -11.678 5.376 1.00 2.33 H new ATOM 860 N ILE A 57 -2.312 -4.190 0.885 1.00 0.24 N ATOM 861 CA ILE A 57 -3.301 -3.115 0.846 1.00 0.24 C ATOM 862 C ILE A 57 -4.706 -3.677 1.025 1.00 0.26 C ATOM 863 O ILE A 57 -5.088 -4.639 0.360 1.00 0.40 O ATOM 864 CB ILE A 57 -3.226 -2.350 -0.479 1.00 0.26 C ATOM 865 CG1 ILE A 57 -1.797 -2.290 -1.005 1.00 0.28 C ATOM 866 CG2 ILE A 57 -3.795 -0.945 -0.325 1.00 0.35 C ATOM 867 CD1 ILE A 57 -1.419 -3.579 -1.720 1.00 1.32 C ATOM 0 H ILE A 57 -2.482 -4.944 0.219 1.00 0.24 H new ATOM 0 HA ILE A 57 -3.078 -2.429 1.663 1.00 0.24 H new ATOM 0 HB ILE A 57 -3.830 -2.892 -1.207 1.00 0.26 H new ATOM 0 HG12 ILE A 57 -1.694 -1.448 -1.689 1.00 0.28 H new ATOM 0 HG13 ILE A 57 -1.109 -2.115 -0.178 1.00 0.28 H new ATOM 0 HG21 ILE A 57 -3.731 -0.420 -1.278 1.00 0.35 H new ATOM 0 HG22 ILE A 57 -4.838 -1.007 -0.014 1.00 0.35 H new ATOM 0 HG23 ILE A 57 -3.223 -0.401 0.427 1.00 0.35 H new ATOM 0 HD11 ILE A 57 -0.394 -3.506 -2.084 1.00 1.32 H new ATOM 0 HD12 ILE A 57 -1.499 -4.416 -1.027 1.00 1.32 H new ATOM 0 HD13 ILE A 57 -2.093 -3.739 -2.562 1.00 1.32 H new ATOM 879 N GLU A 58 -5.474 -3.066 1.919 1.00 0.23 N ATOM 880 CA GLU A 58 -6.842 -3.501 2.177 1.00 0.25 C ATOM 881 C GLU A 58 -7.724 -2.304 2.496 1.00 0.24 C ATOM 882 O GLU A 58 -7.335 -1.416 3.253 1.00 0.26 O ATOM 883 CB GLU A 58 -6.872 -4.492 3.335 1.00 0.32 C ATOM 884 CG GLU A 58 -8.289 -4.987 3.616 1.00 0.37 C ATOM 885 CD GLU A 58 -8.951 -4.123 4.681 1.00 0.82 C ATOM 886 OE1 GLU A 58 -8.594 -4.266 5.869 1.00 1.47 O ATOM 887 OE2 GLU A 58 -9.826 -3.306 4.325 1.00 1.56 O ATOM 0 H GLU A 58 -5.173 -2.268 2.478 1.00 0.23 H new ATOM 0 HA GLU A 58 -7.224 -3.993 1.282 1.00 0.25 H new ATOM 0 HB2 GLU A 58 -6.229 -5.341 3.104 1.00 0.32 H new ATOM 0 HB3 GLU A 58 -6.467 -4.019 4.230 1.00 0.32 H new ATOM 0 HG2 GLU A 58 -8.879 -4.961 2.700 1.00 0.37 H new ATOM 0 HG3 GLU A 58 -8.260 -6.025 3.947 1.00 0.37 H new ATOM 894 N GLY A 59 -8.912 -2.281 1.904 1.00 0.25 N ATOM 895 CA GLY A 59 -9.847 -1.185 2.115 1.00 0.27 C ATOM 896 C GLY A 59 -11.252 -1.565 1.670 1.00 0.39 C ATOM 897 O GLY A 59 -11.705 -2.689 1.894 1.00 0.59 O ATOM 0 H GLY A 59 -9.250 -3.009 1.274 1.00 0.25 H new ATOM 0 HA2 GLY A 59 -9.859 -0.912 3.170 1.00 0.27 H new ATOM 0 HA3 GLY A 59 -9.513 -0.307 1.562 1.00 0.27 H new ATOM 901 N ASP A 60 -11.938 -0.620 1.037 1.00 0.53 N ATOM 902 CA ASP A 60 -13.279 -0.828 0.555 1.00 0.70 C ATOM 903 C ASP A 60 -13.197 -1.345 -0.889 1.00 0.59 C ATOM 904 O ASP A 60 -12.115 -1.707 -1.351 1.00 1.04 O ATOM 905 CB ASP A 60 -14.056 0.499 0.659 1.00 1.22 C ATOM 906 CG ASP A 60 -15.114 0.628 -0.438 1.00 1.93 C ATOM 907 OD1 ASP A 60 -14.767 1.078 -1.550 1.00 2.66 O ATOM 908 OD2 ASP A 60 -16.285 0.277 -0.180 1.00 2.31 O ATOM 0 H ASP A 60 -11.569 0.312 0.848 1.00 0.53 H new ATOM 0 HA ASP A 60 -13.811 -1.569 1.151 1.00 0.70 H new ATOM 0 HB2 ASP A 60 -14.536 0.563 1.636 1.00 1.22 H new ATOM 0 HB3 ASP A 60 -13.359 1.334 0.591 1.00 1.22 H new ATOM 913 N PRO A 61 -14.318 -1.399 -1.626 1.00 0.72 N ATOM 914 CA PRO A 61 -14.323 -1.888 -3.010 1.00 1.14 C ATOM 915 C PRO A 61 -13.825 -0.845 -4.011 1.00 0.88 C ATOM 916 O PRO A 61 -13.698 -1.135 -5.201 1.00 1.22 O ATOM 917 CB PRO A 61 -15.789 -2.224 -3.262 1.00 1.82 C ATOM 918 CG PRO A 61 -16.563 -1.359 -2.322 1.00 1.82 C ATOM 919 CD PRO A 61 -15.649 -0.997 -1.178 1.00 1.17 C ATOM 0 HA PRO A 61 -13.649 -2.735 -3.141 1.00 1.14 H new ATOM 0 HB2 PRO A 61 -16.065 -2.024 -4.297 1.00 1.82 H new ATOM 0 HB3 PRO A 61 -15.987 -3.280 -3.077 1.00 1.82 H new ATOM 0 HG2 PRO A 61 -16.915 -0.461 -2.830 1.00 1.82 H new ATOM 0 HG3 PRO A 61 -17.445 -1.885 -1.956 1.00 1.82 H new ATOM 0 HD2 PRO A 61 -15.689 0.071 -0.962 1.00 1.17 H new ATOM 0 HD3 PRO A 61 -15.933 -1.518 -0.264 1.00 1.17 H new ATOM 927 N GLN A 62 -13.553 0.369 -3.537 1.00 0.64 N ATOM 928 CA GLN A 62 -13.083 1.436 -4.414 1.00 0.47 C ATOM 929 C GLN A 62 -11.843 2.116 -3.843 1.00 0.41 C ATOM 930 O GLN A 62 -10.816 2.221 -4.515 1.00 0.47 O ATOM 931 CB GLN A 62 -14.188 2.469 -4.612 1.00 0.69 C ATOM 932 CG GLN A 62 -15.494 1.818 -5.058 1.00 0.85 C ATOM 933 CD GLN A 62 -15.690 1.995 -6.558 1.00 1.34 C ATOM 934 OE1 GLN A 62 -15.733 1.020 -7.309 1.00 2.14 O ATOM 935 NE2 GLN A 62 -15.810 3.243 -6.996 1.00 1.73 N ATOM 0 H GLN A 62 -13.649 0.636 -2.557 1.00 0.64 H new ATOM 0 HA GLN A 62 -12.818 0.992 -5.373 1.00 0.47 H new ATOM 0 HB2 GLN A 62 -14.351 3.011 -3.680 1.00 0.69 H new ATOM 0 HB3 GLN A 62 -13.873 3.201 -5.356 1.00 0.69 H new ATOM 0 HG2 GLN A 62 -15.482 0.757 -4.809 1.00 0.85 H new ATOM 0 HG3 GLN A 62 -16.332 2.262 -4.520 1.00 0.85 H new ATOM 0 HE21 GLN A 62 -15.768 4.021 -6.337 1.00 1.73 H new ATOM 0 HE22 GLN A 62 -15.944 3.424 -7.991 1.00 1.73 H new ATOM 944 N GLY A 63 -11.949 2.589 -2.608 1.00 0.37 N ATOM 945 CA GLY A 63 -10.844 3.277 -1.946 1.00 0.34 C ATOM 946 C GLY A 63 -9.562 2.454 -1.974 1.00 0.27 C ATOM 947 O GLY A 63 -8.476 2.995 -2.187 1.00 0.29 O ATOM 0 H GLY A 63 -12.793 2.509 -2.041 1.00 0.37 H new ATOM 0 HA2 GLY A 63 -10.670 4.236 -2.433 1.00 0.34 H new ATOM 0 HA3 GLY A 63 -11.116 3.489 -0.912 1.00 0.34 H new ATOM 951 N VAL A 64 -9.681 1.152 -1.740 1.00 0.24 N ATOM 952 CA VAL A 64 -8.517 0.272 -1.721 1.00 0.21 C ATOM 953 C VAL A 64 -7.930 0.099 -3.122 1.00 0.24 C ATOM 954 O VAL A 64 -6.713 0.150 -3.301 1.00 0.28 O ATOM 955 CB VAL A 64 -8.894 -1.083 -1.105 1.00 0.24 C ATOM 956 CG1 VAL A 64 -9.570 -2.013 -2.114 1.00 0.30 C ATOM 957 CG2 VAL A 64 -7.664 -1.750 -0.500 1.00 0.26 C ATOM 0 H VAL A 64 -10.569 0.683 -1.561 1.00 0.24 H new ATOM 0 HA VAL A 64 -7.746 0.731 -1.103 1.00 0.21 H new ATOM 0 HB VAL A 64 -9.620 -0.889 -0.315 1.00 0.24 H new ATOM 0 HG11 VAL A 64 -9.817 -2.958 -1.630 1.00 0.30 H new ATOM 0 HG12 VAL A 64 -10.482 -1.546 -2.485 1.00 0.30 H new ATOM 0 HG13 VAL A 64 -8.893 -2.199 -2.948 1.00 0.30 H new ATOM 0 HG21 VAL A 64 -7.946 -2.710 -0.067 1.00 0.26 H new ATOM 0 HG22 VAL A 64 -6.917 -1.909 -1.277 1.00 0.26 H new ATOM 0 HG23 VAL A 64 -7.248 -1.109 0.278 1.00 0.26 H new ATOM 967 N GLN A 65 -8.795 -0.107 -4.108 1.00 0.25 N ATOM 968 CA GLN A 65 -8.350 -0.287 -5.485 1.00 0.30 C ATOM 969 C GLN A 65 -7.792 1.016 -6.040 1.00 0.30 C ATOM 970 O GLN A 65 -6.922 1.009 -6.911 1.00 0.34 O ATOM 971 CB GLN A 65 -9.509 -0.766 -6.353 1.00 0.37 C ATOM 972 CG GLN A 65 -10.704 0.177 -6.264 1.00 0.42 C ATOM 973 CD GLN A 65 -11.779 -0.234 -7.260 1.00 0.78 C ATOM 974 OE1 GLN A 65 -12.239 -1.374 -7.258 1.00 1.56 O ATOM 975 NE2 GLN A 65 -12.181 0.700 -8.116 1.00 0.82 N ATOM 0 H GLN A 65 -9.806 -0.154 -3.981 1.00 0.25 H new ATOM 0 HA GLN A 65 -7.561 -1.039 -5.497 1.00 0.30 H new ATOM 0 HB2 GLN A 65 -9.181 -0.842 -7.390 1.00 0.37 H new ATOM 0 HB3 GLN A 65 -9.810 -1.766 -6.040 1.00 0.37 H new ATOM 0 HG2 GLN A 65 -11.112 0.164 -5.253 1.00 0.42 H new ATOM 0 HG3 GLN A 65 -10.384 1.199 -6.465 1.00 0.42 H new ATOM 0 HE21 GLN A 65 -11.771 1.634 -8.082 1.00 0.82 H new ATOM 0 HE22 GLN A 65 -12.899 0.483 -8.807 1.00 0.82 H new ATOM 984 N GLN A 66 -8.296 2.135 -5.530 1.00 0.29 N ATOM 985 CA GLN A 66 -7.844 3.447 -5.974 1.00 0.31 C ATOM 986 C GLN A 66 -6.427 3.711 -5.485 1.00 0.29 C ATOM 987 O GLN A 66 -5.529 3.992 -6.277 1.00 0.36 O ATOM 988 CB GLN A 66 -8.785 4.528 -5.453 1.00 0.35 C ATOM 989 CG GLN A 66 -9.285 5.428 -6.579 1.00 0.79 C ATOM 990 CD GLN A 66 -10.392 4.733 -7.360 1.00 1.10 C ATOM 991 OE1 GLN A 66 -10.162 4.209 -8.450 1.00 2.03 O ATOM 992 NE2 GLN A 66 -11.596 4.725 -6.801 1.00 1.31 N ATOM 0 H GLN A 66 -9.017 2.159 -4.809 1.00 0.29 H new ATOM 0 HA GLN A 66 -7.848 3.467 -7.064 1.00 0.31 H new ATOM 0 HB2 GLN A 66 -9.635 4.062 -4.954 1.00 0.35 H new ATOM 0 HB3 GLN A 66 -8.269 5.131 -4.706 1.00 0.35 H new ATOM 0 HG2 GLN A 66 -9.656 6.366 -6.166 1.00 0.79 H new ATOM 0 HG3 GLN A 66 -8.461 5.678 -7.247 1.00 0.79 H new ATOM 0 HE21 GLN A 66 -11.741 5.172 -5.896 1.00 1.31 H new ATOM 0 HE22 GLN A 66 -12.376 4.272 -7.277 1.00 1.31 H new ATOM 1001 N ALA A 67 -6.231 3.611 -4.173 1.00 0.26 N ATOM 1002 CA ALA A 67 -4.918 3.833 -3.577 1.00 0.27 C ATOM 1003 C ALA A 67 -3.944 2.758 -4.040 1.00 0.26 C ATOM 1004 O ALA A 67 -2.756 3.020 -4.225 1.00 0.30 O ATOM 1005 CB ALA A 67 -5.027 3.817 -2.056 1.00 0.29 C ATOM 0 H ALA A 67 -6.964 3.378 -3.503 1.00 0.26 H new ATOM 0 HA ALA A 67 -4.546 4.807 -3.896 1.00 0.27 H new ATOM 0 HB1 ALA A 67 -4.042 3.983 -1.619 1.00 0.29 H new ATOM 0 HB2 ALA A 67 -5.706 4.605 -1.732 1.00 0.29 H new ATOM 0 HB3 ALA A 67 -5.411 2.851 -1.729 1.00 0.29 H new ATOM 1011 N LYS A 68 -4.460 1.549 -4.233 1.00 0.25 N ATOM 1012 CA LYS A 68 -3.644 0.427 -4.683 1.00 0.28 C ATOM 1013 C LYS A 68 -2.984 0.761 -6.015 1.00 0.31 C ATOM 1014 O LYS A 68 -1.787 1.046 -6.076 1.00 0.44 O ATOM 1015 CB LYS A 68 -4.517 -0.818 -4.828 1.00 0.32 C ATOM 1016 CG LYS A 68 -3.735 -2.003 -5.389 1.00 0.37 C ATOM 1017 CD LYS A 68 -4.566 -2.801 -6.390 1.00 0.43 C ATOM 1018 CE LYS A 68 -3.742 -3.904 -7.048 1.00 0.57 C ATOM 1019 NZ LYS A 68 -4.540 -4.644 -8.064 1.00 0.88 N ATOM 0 H LYS A 68 -5.443 1.320 -4.084 1.00 0.25 H new ATOM 0 HA LYS A 68 -2.865 0.233 -3.946 1.00 0.28 H new ATOM 0 HB2 LYS A 68 -4.932 -1.085 -3.856 1.00 0.32 H new ATOM 0 HB3 LYS A 68 -5.359 -0.596 -5.484 1.00 0.32 H new ATOM 0 HG2 LYS A 68 -2.827 -1.644 -5.873 1.00 0.37 H new ATOM 0 HG3 LYS A 68 -3.424 -2.654 -4.572 1.00 0.37 H new ATOM 0 HD2 LYS A 68 -5.425 -3.241 -5.883 1.00 0.43 H new ATOM 0 HD3 LYS A 68 -4.957 -2.131 -7.156 1.00 0.43 H new ATOM 0 HE2 LYS A 68 -2.861 -3.470 -7.521 1.00 0.57 H new ATOM 0 HE3 LYS A 68 -3.386 -4.598 -6.287 1.00 0.57 H new ATOM 0 HZ1 LYS A 68 -4.023 -5.497 -8.358 1.00 0.88 H new ATOM 0 HZ2 LYS A 68 -5.455 -4.919 -7.654 1.00 0.88 H new ATOM 0 HZ3 LYS A 68 -4.700 -4.034 -8.891 1.00 0.88 H new ATOM 1033 N ARG A 69 -3.774 0.724 -7.083 1.00 0.36 N ATOM 1034 CA ARG A 69 -3.278 1.022 -8.422 1.00 0.43 C ATOM 1035 C ARG A 69 -2.492 2.327 -8.427 1.00 0.42 C ATOM 1036 O ARG A 69 -1.505 2.465 -9.149 1.00 0.46 O ATOM 1037 CB ARG A 69 -4.447 1.118 -9.398 1.00 0.50 C ATOM 1038 CG ARG A 69 -4.410 -0.003 -10.431 1.00 1.02 C ATOM 1039 CD ARG A 69 -5.463 0.198 -11.517 1.00 1.36 C ATOM 1040 NE ARG A 69 -6.043 -1.082 -11.905 1.00 1.81 N ATOM 1041 CZ ARG A 69 -7.305 -1.184 -12.307 1.00 2.35 C ATOM 1042 NH1 ARG A 69 -8.278 -0.635 -11.591 1.00 2.76 N ATOM 1043 NH2 ARG A 69 -7.597 -1.832 -13.425 1.00 2.98 N ATOM 0 H ARG A 69 -4.766 0.489 -7.047 1.00 0.36 H new ATOM 0 HA ARG A 69 -2.613 0.216 -8.732 1.00 0.43 H new ATOM 0 HB2 ARG A 69 -5.386 1.075 -8.847 1.00 0.50 H new ATOM 0 HB3 ARG A 69 -4.420 2.082 -9.906 1.00 0.50 H new ATOM 0 HG2 ARG A 69 -3.421 -0.046 -10.886 1.00 1.02 H new ATOM 0 HG3 ARG A 69 -4.575 -0.960 -9.936 1.00 1.02 H new ATOM 0 HD2 ARG A 69 -6.246 0.864 -11.155 1.00 1.36 H new ATOM 0 HD3 ARG A 69 -5.012 0.678 -12.385 1.00 1.36 H new ATOM 0 HE ARG A 69 -5.465 -1.921 -11.867 1.00 1.81 H new ATOM 0 HH11 ARG A 69 -8.057 -0.134 -10.731 1.00 2.76 H new ATOM 0 HH12 ARG A 69 -9.246 -0.714 -11.901 1.00 2.76 H new ATOM 0 HH21 ARG A 69 -6.852 -2.254 -13.979 1.00 2.98 H new ATOM 0 HH22 ARG A 69 -8.567 -1.909 -13.731 1.00 2.98 H new ATOM 1057 N GLU A 70 -2.934 3.283 -7.616 1.00 0.40 N ATOM 1058 CA GLU A 70 -2.269 4.577 -7.525 1.00 0.43 C ATOM 1059 C GLU A 70 -0.792 4.394 -7.202 1.00 0.44 C ATOM 1060 O GLU A 70 0.070 5.036 -7.802 1.00 0.56 O ATOM 1061 CB GLU A 70 -2.934 5.434 -6.452 1.00 0.44 C ATOM 1062 CG GLU A 70 -2.344 6.840 -6.411 1.00 0.59 C ATOM 1063 CD GLU A 70 -3.196 7.796 -7.234 1.00 0.82 C ATOM 1064 OE1 GLU A 70 -3.782 7.353 -8.244 1.00 1.38 O ATOM 1065 OE2 GLU A 70 -3.277 8.987 -6.867 1.00 1.50 O ATOM 0 H GLU A 70 -3.750 3.185 -7.012 1.00 0.40 H new ATOM 0 HA GLU A 70 -2.357 5.081 -8.488 1.00 0.43 H new ATOM 0 HB2 GLU A 70 -4.005 5.494 -6.645 1.00 0.44 H new ATOM 0 HB3 GLU A 70 -2.812 4.959 -5.479 1.00 0.44 H new ATOM 0 HG2 GLU A 70 -2.288 7.188 -5.380 1.00 0.59 H new ATOM 0 HG3 GLU A 70 -1.325 6.825 -6.798 1.00 0.59 H new ATOM 1072 N LEU A 71 -0.507 3.509 -6.252 1.00 0.40 N ATOM 1073 CA LEU A 71 0.866 3.232 -5.846 1.00 0.47 C ATOM 1074 C LEU A 71 1.628 2.557 -6.978 1.00 0.52 C ATOM 1075 O LEU A 71 2.771 2.907 -7.269 1.00 0.60 O ATOM 1076 CB LEU A 71 0.873 2.331 -4.616 1.00 0.51 C ATOM 1077 CG LEU A 71 0.640 3.123 -3.333 1.00 0.78 C ATOM 1078 CD1 LEU A 71 -0.162 2.299 -2.330 1.00 1.08 C ATOM 1079 CD2 LEU A 71 1.967 3.567 -2.725 1.00 1.15 C ATOM 0 H LEU A 71 -1.211 2.970 -5.748 1.00 0.40 H new ATOM 0 HA LEU A 71 1.354 4.176 -5.605 1.00 0.47 H new ATOM 0 HB2 LEU A 71 0.100 1.570 -4.719 1.00 0.51 H new ATOM 0 HB3 LEU A 71 1.828 1.809 -4.553 1.00 0.51 H new ATOM 0 HG LEU A 71 0.064 4.014 -3.582 1.00 0.78 H new ATOM 0 HD11 LEU A 71 -0.317 2.882 -1.422 1.00 1.08 H new ATOM 0 HD12 LEU A 71 -1.128 2.038 -2.763 1.00 1.08 H new ATOM 0 HD13 LEU A 71 0.385 1.388 -2.087 1.00 1.08 H new ATOM 0 HD21 LEU A 71 1.778 4.130 -1.811 1.00 1.15 H new ATOM 0 HD22 LEU A 71 2.572 2.691 -2.493 1.00 1.15 H new ATOM 0 HD23 LEU A 71 2.500 4.198 -3.436 1.00 1.15 H new ATOM 1091 N LEU A 72 0.989 1.580 -7.611 1.00 0.52 N ATOM 1092 CA LEU A 72 1.607 0.847 -8.708 1.00 0.63 C ATOM 1093 C LEU A 72 2.069 1.803 -9.803 1.00 0.67 C ATOM 1094 O LEU A 72 3.204 1.721 -10.270 1.00 0.83 O ATOM 1095 CB LEU A 72 0.617 -0.159 -9.285 1.00 0.66 C ATOM 1096 CG LEU A 72 0.519 -1.410 -8.418 1.00 0.88 C ATOM 1097 CD1 LEU A 72 -0.937 -1.831 -8.244 1.00 1.99 C ATOM 1098 CD2 LEU A 72 1.343 -2.548 -9.014 1.00 1.04 C ATOM 0 H LEU A 72 0.042 1.277 -7.383 1.00 0.52 H new ATOM 0 HA LEU A 72 2.477 0.316 -8.320 1.00 0.63 H new ATOM 0 HB2 LEU A 72 -0.366 0.304 -9.369 1.00 0.66 H new ATOM 0 HB3 LEU A 72 0.926 -0.437 -10.293 1.00 0.66 H new ATOM 0 HG LEU A 72 0.927 -1.176 -7.435 1.00 0.88 H new ATOM 0 HD11 LEU A 72 -0.985 -2.725 -7.623 1.00 1.99 H new ATOM 0 HD12 LEU A 72 -1.494 -1.026 -7.765 1.00 1.99 H new ATOM 0 HD13 LEU A 72 -1.373 -2.043 -9.220 1.00 1.99 H new ATOM 0 HD21 LEU A 72 1.258 -3.430 -8.379 1.00 1.04 H new ATOM 0 HD22 LEU A 72 0.972 -2.782 -10.012 1.00 1.04 H new ATOM 0 HD23 LEU A 72 2.388 -2.246 -9.078 1.00 1.04 H new ATOM 1110 N GLU A 73 1.181 2.703 -10.211 1.00 0.64 N ATOM 1111 CA GLU A 73 1.499 3.670 -11.256 1.00 0.74 C ATOM 1112 C GLU A 73 2.213 4.885 -10.674 1.00 0.71 C ATOM 1113 O GLU A 73 3.426 5.032 -10.819 1.00 0.88 O ATOM 1114 CB GLU A 73 0.221 4.109 -11.965 1.00 0.82 C ATOM 1115 CG GLU A 73 -0.435 2.951 -12.710 1.00 1.00 C ATOM 1116 CD GLU A 73 -1.899 2.829 -12.310 1.00 1.41 C ATOM 1117 OE1 GLU A 73 -2.607 3.858 -12.319 1.00 2.01 O ATOM 1118 OE2 GLU A 73 -2.336 1.705 -11.987 1.00 2.05 O ATOM 0 H GLU A 73 0.236 2.783 -9.835 1.00 0.64 H new ATOM 0 HA GLU A 73 2.165 3.192 -11.974 1.00 0.74 H new ATOM 0 HB2 GLU A 73 -0.479 4.516 -11.235 1.00 0.82 H new ATOM 0 HB3 GLU A 73 0.451 4.910 -12.667 1.00 0.82 H new ATOM 0 HG2 GLU A 73 -0.357 3.110 -13.785 1.00 1.00 H new ATOM 0 HG3 GLU A 73 0.089 2.022 -12.486 1.00 1.00 H new ATOM 1125 N LEU A 74 1.451 5.756 -10.020 1.00 0.64 N ATOM 1126 CA LEU A 74 2.007 6.964 -9.422 1.00 0.71 C ATOM 1127 C LEU A 74 3.084 6.623 -8.398 1.00 0.82 C ATOM 1128 O LEU A 74 4.164 7.212 -8.403 1.00 1.13 O ATOM 1129 CB LEU A 74 0.900 7.775 -8.755 1.00 0.85 C ATOM 1130 CG LEU A 74 -0.227 8.105 -9.732 1.00 0.99 C ATOM 1131 CD1 LEU A 74 -1.266 9.006 -9.072 1.00 1.19 C ATOM 1132 CD2 LEU A 74 0.325 8.759 -10.997 1.00 1.32 C ATOM 0 H LEU A 74 0.445 5.647 -9.891 1.00 0.64 H new ATOM 0 HA LEU A 74 2.462 7.556 -10.216 1.00 0.71 H new ATOM 0 HB2 LEU A 74 0.497 7.215 -7.911 1.00 0.85 H new ATOM 0 HB3 LEU A 74 1.317 8.699 -8.355 1.00 0.85 H new ATOM 0 HG LEU A 74 -0.713 7.172 -10.016 1.00 0.99 H new ATOM 0 HD11 LEU A 74 -2.060 9.229 -9.785 1.00 1.19 H new ATOM 0 HD12 LEU A 74 -1.689 8.499 -8.205 1.00 1.19 H new ATOM 0 HD13 LEU A 74 -0.793 9.935 -8.754 1.00 1.19 H new ATOM 0 HD21 LEU A 74 -0.496 8.985 -11.678 1.00 1.32 H new ATOM 0 HD22 LEU A 74 0.842 9.682 -10.734 1.00 1.32 H new ATOM 0 HD23 LEU A 74 1.023 8.078 -11.484 1.00 1.32 H new ATOM 1144 N ALA A 75 2.783 5.675 -7.515 1.00 0.78 N ATOM 1145 CA ALA A 75 3.730 5.269 -6.483 1.00 0.99 C ATOM 1146 C ALA A 75 4.185 6.477 -5.678 1.00 1.70 C ATOM 1147 O ALA A 75 3.741 7.600 -5.921 1.00 2.16 O ATOM 1148 CB ALA A 75 4.934 4.583 -7.119 1.00 1.14 C ATOM 0 H ALA A 75 1.894 5.176 -7.494 1.00 0.78 H new ATOM 0 HA ALA A 75 3.235 4.567 -5.812 1.00 0.99 H new ATOM 0 HB1 ALA A 75 5.635 4.284 -6.340 1.00 1.14 H new ATOM 0 HB2 ALA A 75 4.603 3.701 -7.668 1.00 1.14 H new ATOM 0 HB3 ALA A 75 5.426 5.273 -7.805 1.00 1.14 H new ATOM 1154 N SER A 76 5.076 6.244 -4.718 1.00 2.17 N ATOM 1155 CA SER A 76 5.595 7.316 -3.873 1.00 3.01 C ATOM 1156 C SER A 76 6.055 8.496 -4.722 1.00 3.57 C ATOM 1157 O SER A 76 5.585 9.626 -4.473 1.00 4.23 O ATOM 1158 CB SER A 76 6.760 6.800 -3.035 1.00 3.63 C ATOM 1159 OG SER A 76 7.425 5.742 -3.710 1.00 4.36 O ATOM 1160 OXT SER A 76 6.882 8.287 -5.635 1.00 3.89 O ATOM 0 H SER A 76 5.454 5.321 -4.506 1.00 2.17 H new ATOM 0 HA SER A 76 4.795 7.652 -3.213 1.00 3.01 H new ATOM 0 HB2 SER A 76 7.461 7.611 -2.837 1.00 3.63 H new ATOM 0 HB3 SER A 76 6.395 6.451 -2.069 1.00 3.63 H new ATOM 0 HG SER A 76 7.002 4.889 -3.478 1.00 4.36 H new TER 1166 SER A 76