USER MOD reduce.3.24.130724 H: found=0, std=0, add=796, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 793 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 86 GLN : amide:sc= -4.55! C(o=-4.9!,f=-5.9!) USER MOD Set 1.2: A 90 GLN : amide:sc= 0.604 K(o=-4.9,f=-5.9!) USER MOD Set 1.3: A 94 HIS : no HD1:sc= -0.918 K(o=-4.9,f=-6.4) USER MOD Set 2.1: A 69 THR OG1 : rot 180:sc= 0.153 USER MOD Set 2.2: A 72 LYS NZ :NH3+ 138:sc= -1.66 (180deg=-2.84) USER MOD Set 3.1: A 44 ASN : amide:sc= -8.74! C(o=-13!,f=-20!) USER MOD Set 3.2: A 47 LYS NZ :NH3+ 138:sc= -4.17! (180deg=-7.27!) USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 11 GLN : amide:sc= -0.236 K(o=-0.24,f=-5.3!) USER MOD Single : A 16 MET CE :methyl -127:sc= -0.189 (180deg=-1.97) USER MOD Single : A 21 SER OG : rot -67:sc= 0.822 USER MOD Single : A 24 LYS NZ :NH3+ -138:sc= -1.25! (180deg=-2.76!) USER MOD Single : A 26 LYS NZ :NH3+ 151:sc= -0.123 (180deg=-1.06) USER MOD Single : A 27 LYS NZ :NH3+ 163:sc= -0.0618 (180deg=-0.432) USER MOD Single : A 31 SER OG : rot -60:sc= 1.03 USER MOD Single : A 32 SER OG : rot -70:sc= 1.49 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot -66:sc= 0.193 USER MOD Single : A 43 GLN : amide:sc= 0.471 K(o=0.47,f=-4.7!) USER MOD Single : A 48 LYS NZ :NH3+ -151:sc= 1.48 (180deg=-0.189) USER MOD Single : A 49 HIS : no HE2:sc= -1.05! C(o=-1!,f=-6.2!) USER MOD Single : A 50 LYS NZ :NH3+ 131:sc= 0.364 (180deg=-0.573) USER MOD Single : A 59 HIS : no HD1:sc= -9.84! C(o=-9.8!,f=-13!) USER MOD Single : A 64 GLN : amide:sc= -0.513 K(o=-0.51,f=-1.2) USER MOD Single : A 71 LYS NZ :NH3+ -137:sc= 0.686 (180deg=0.0461) USER MOD Single : A 74 SER OG : rot 180:sc= -1.27 USER MOD Single : A 77 ASN :FLIP amide:sc= -1.87 F(o=-4!,f=-1.9) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0.0829 USER MOD Single : A 81 LYS NZ :NH3+ -171:sc= 1.37 (180deg=1.16) USER MOD Single : A 85 GLN :FLIP amide:sc=-0.00565 F(o=-1.5,f=-0.0057) USER MOD Single : A 96 LYS NZ :NH3+ 162:sc= 0.634 (180deg=0.441) USER MOD Single : A 99 LYS NZ :NH3+ 179:sc= 0.316 (180deg=0.274) USER MOD Single : A 100 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 107 GLN : amide:sc= -0.127 K(o=-0.13,f=-2.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 10 21.411 -9.284 -14.177 1.00 1.70 N ATOM 2 CA HIS A 10 21.311 -10.686 -14.568 1.00 1.73 C ATOM 3 C HIS A 10 22.459 -11.499 -13.979 1.00 1.58 C ATOM 4 O HIS A 10 22.234 -12.521 -13.327 1.00 1.52 O ATOM 5 CB HIS A 10 21.302 -10.815 -16.094 1.00 2.04 C ATOM 6 CG HIS A 10 20.046 -10.304 -16.728 1.00 2.54 C ATOM 7 ND1 HIS A 10 18.807 -10.879 -16.551 1.00 3.19 N ATOM 8 CD2 HIS A 10 19.850 -9.242 -17.551 1.00 3.29 C ATOM 9 CE1 HIS A 10 17.917 -10.167 -17.256 1.00 4.01 C ATOM 10 NE2 HIS A 10 18.500 -9.162 -17.880 1.00 4.11 N ATOM 0 HA HIS A 10 20.374 -11.081 -14.175 1.00 1.73 H new ATOM 0 HB2 HIS A 10 22.153 -10.270 -16.502 1.00 2.04 H new ATOM 0 HB3 HIS A 10 21.435 -11.863 -16.363 1.00 2.04 H new ATOM 0 HD2 HIS A 10 20.619 -8.567 -17.896 1.00 3.29 H new ATOM 0 HE1 HIS A 10 16.861 -10.387 -17.307 1.00 4.01 H new ATOM 0 HE2 HIS A 10 18.053 -8.469 -18.480 1.00 4.11 H new ATOM 18 N GLN A 11 23.691 -11.046 -14.204 1.00 1.60 N ATOM 19 CA GLN A 11 24.858 -11.744 -13.682 1.00 1.56 C ATOM 20 C GLN A 11 24.753 -11.883 -12.170 1.00 1.29 C ATOM 21 O GLN A 11 24.998 -12.951 -11.622 1.00 1.26 O ATOM 22 CB GLN A 11 26.157 -11.016 -14.051 1.00 1.75 C ATOM 23 CG GLN A 11 26.986 -11.733 -15.109 1.00 2.28 C ATOM 24 CD GLN A 11 27.229 -13.196 -14.780 1.00 3.08 C ATOM 25 OE1 GLN A 11 27.931 -13.524 -13.823 1.00 3.64 O ATOM 26 NE2 GLN A 11 26.649 -14.087 -15.575 1.00 3.73 N ATOM 0 H GLN A 11 23.903 -10.205 -14.740 1.00 1.60 H new ATOM 0 HA GLN A 11 24.885 -12.735 -14.135 1.00 1.56 H new ATOM 0 HB2 GLN A 11 25.912 -10.016 -14.411 1.00 1.75 H new ATOM 0 HB3 GLN A 11 26.761 -10.892 -13.152 1.00 1.75 H new ATOM 0 HG2 GLN A 11 26.478 -11.662 -16.071 1.00 2.28 H new ATOM 0 HG3 GLN A 11 27.945 -11.226 -15.217 1.00 2.28 H new ATOM 0 HE21 GLN A 11 26.075 -13.774 -16.358 1.00 3.73 H new ATOM 0 HE22 GLN A 11 26.778 -15.084 -15.403 1.00 3.73 H new ATOM 35 N PHE A 12 24.382 -10.797 -11.494 1.00 1.14 N ATOM 36 CA PHE A 12 24.254 -10.828 -10.041 1.00 0.98 C ATOM 37 C PHE A 12 23.399 -12.014 -9.617 1.00 0.94 C ATOM 38 O PHE A 12 23.774 -12.776 -8.728 1.00 0.91 O ATOM 39 CB PHE A 12 23.653 -9.525 -9.499 1.00 0.98 C ATOM 40 CG PHE A 12 23.286 -9.611 -8.041 1.00 0.86 C ATOM 41 CD1 PHE A 12 24.265 -9.773 -7.072 1.00 0.83 C ATOM 42 CD2 PHE A 12 21.963 -9.502 -7.637 1.00 0.86 C ATOM 43 CE1 PHE A 12 23.931 -9.828 -5.733 1.00 0.77 C ATOM 44 CE2 PHE A 12 21.626 -9.553 -6.300 1.00 0.82 C ATOM 45 CZ PHE A 12 22.611 -9.823 -5.353 1.00 0.76 C ATOM 0 H PHE A 12 24.168 -9.897 -11.923 1.00 1.14 H new ATOM 0 HA PHE A 12 25.254 -10.934 -9.620 1.00 0.98 H new ATOM 0 HB2 PHE A 12 24.368 -8.714 -9.641 1.00 0.98 H new ATOM 0 HB3 PHE A 12 22.765 -9.272 -10.078 1.00 0.98 H new ATOM 0 HD1 PHE A 12 25.300 -9.857 -7.368 1.00 0.83 H new ATOM 0 HD2 PHE A 12 21.188 -9.376 -8.378 1.00 0.86 H new ATOM 0 HE1 PHE A 12 24.708 -9.875 -4.984 1.00 0.77 H new ATOM 0 HE2 PHE A 12 20.605 -9.385 -5.990 1.00 0.82 H new ATOM 0 HZ PHE A 12 22.339 -10.027 -4.328 1.00 0.76 H new ATOM 55 N PHE A 13 22.250 -12.179 -10.271 1.00 1.03 N ATOM 56 CA PHE A 13 21.361 -13.291 -9.957 1.00 1.16 C ATOM 57 C PHE A 13 22.122 -14.605 -10.077 1.00 1.12 C ATOM 58 O PHE A 13 22.078 -15.444 -9.178 1.00 1.08 O ATOM 59 CB PHE A 13 20.144 -13.298 -10.890 1.00 1.42 C ATOM 60 CG PHE A 13 18.840 -13.493 -10.169 1.00 1.67 C ATOM 61 CD1 PHE A 13 18.666 -14.560 -9.301 1.00 2.16 C ATOM 62 CD2 PHE A 13 17.784 -12.617 -10.367 1.00 1.91 C ATOM 63 CE1 PHE A 13 17.465 -14.750 -8.646 1.00 2.70 C ATOM 64 CE2 PHE A 13 16.581 -12.801 -9.712 1.00 2.42 C ATOM 65 CZ PHE A 13 16.435 -13.840 -8.819 1.00 2.77 C ATOM 0 H PHE A 13 21.917 -11.563 -11.013 1.00 1.03 H new ATOM 0 HA PHE A 13 21.003 -13.173 -8.934 1.00 1.16 H new ATOM 0 HB2 PHE A 13 20.110 -12.356 -11.438 1.00 1.42 H new ATOM 0 HB3 PHE A 13 20.265 -14.092 -11.627 1.00 1.42 H new ATOM 0 HD1 PHE A 13 19.479 -15.251 -9.135 1.00 2.16 H new ATOM 0 HD2 PHE A 13 17.903 -11.781 -11.041 1.00 1.91 H new ATOM 0 HE1 PHE A 13 17.329 -15.605 -8.001 1.00 2.70 H new ATOM 0 HE2 PHE A 13 15.756 -12.130 -9.900 1.00 2.42 H new ATOM 0 HZ PHE A 13 15.520 -13.945 -8.255 1.00 2.77 H new ATOM 75 N ARG A 14 22.841 -14.764 -11.186 1.00 1.21 N ATOM 76 CA ARG A 14 23.631 -15.967 -11.413 1.00 1.30 C ATOM 77 C ARG A 14 24.625 -16.163 -10.275 1.00 1.14 C ATOM 78 O ARG A 14 24.698 -17.238 -9.693 1.00 1.12 O ATOM 79 CB ARG A 14 24.358 -15.896 -12.763 1.00 1.55 C ATOM 80 CG ARG A 14 25.472 -16.926 -12.922 1.00 1.71 C ATOM 81 CD ARG A 14 26.850 -16.296 -12.775 1.00 2.48 C ATOM 82 NE ARG A 14 27.627 -16.921 -11.709 1.00 2.80 N ATOM 83 CZ ARG A 14 28.784 -16.442 -11.257 1.00 3.53 C ATOM 84 NH1 ARG A 14 29.289 -15.324 -11.763 1.00 4.35 N ATOM 85 NH2 ARG A 14 29.433 -17.078 -10.292 1.00 3.79 N ATOM 0 H ARG A 14 22.891 -14.076 -11.938 1.00 1.21 H new ATOM 0 HA ARG A 14 22.958 -16.824 -11.440 1.00 1.30 H new ATOM 0 HB2 ARG A 14 23.631 -16.035 -13.563 1.00 1.55 H new ATOM 0 HB3 ARG A 14 24.779 -14.898 -12.885 1.00 1.55 H new ATOM 0 HG2 ARG A 14 25.350 -17.711 -12.176 1.00 1.71 H new ATOM 0 HG3 ARG A 14 25.392 -17.400 -13.900 1.00 1.71 H new ATOM 0 HD2 ARG A 14 27.391 -16.384 -13.717 1.00 2.48 H new ATOM 0 HD3 ARG A 14 26.742 -15.231 -12.568 1.00 2.48 H new ATOM 0 HE ARG A 14 27.262 -17.774 -11.286 1.00 2.80 H new ATOM 0 HH11 ARG A 14 28.790 -14.828 -12.502 1.00 4.35 H new ATOM 0 HH12 ARG A 14 30.176 -14.961 -11.413 1.00 4.35 H new ATOM 0 HH21 ARG A 14 29.046 -17.934 -9.896 1.00 3.79 H new ATOM 0 HH22 ARG A 14 30.319 -16.711 -9.946 1.00 3.79 H new ATOM 99 N ASP A 15 25.379 -15.115 -9.952 1.00 1.12 N ATOM 100 CA ASP A 15 26.354 -15.183 -8.865 1.00 1.14 C ATOM 101 C ASP A 15 25.686 -15.699 -7.596 1.00 1.00 C ATOM 102 O ASP A 15 26.176 -16.626 -6.956 1.00 1.05 O ATOM 103 CB ASP A 15 26.976 -13.804 -8.590 1.00 1.29 C ATOM 104 CG ASP A 15 27.314 -13.025 -9.852 1.00 1.49 C ATOM 105 OD1 ASP A 15 27.460 -13.650 -10.922 1.00 2.10 O ATOM 106 OD2 ASP A 15 27.444 -11.786 -9.764 1.00 1.84 O ATOM 0 H ASP A 15 25.335 -14.212 -10.425 1.00 1.12 H new ATOM 0 HA ASP A 15 27.147 -15.867 -9.168 1.00 1.14 H new ATOM 0 HB2 ASP A 15 26.285 -13.217 -7.985 1.00 1.29 H new ATOM 0 HB3 ASP A 15 27.883 -13.935 -8.000 1.00 1.29 H new ATOM 111 N MET A 16 24.559 -15.087 -7.240 1.00 0.93 N ATOM 112 CA MET A 16 23.811 -15.478 -6.050 1.00 0.98 C ATOM 113 C MET A 16 23.485 -16.971 -6.085 1.00 0.88 C ATOM 114 O MET A 16 23.837 -17.721 -5.168 1.00 0.88 O ATOM 115 CB MET A 16 22.520 -14.657 -5.951 1.00 1.15 C ATOM 116 CG MET A 16 22.413 -13.834 -4.675 1.00 1.45 C ATOM 117 SD MET A 16 22.570 -14.831 -3.182 1.00 1.92 S ATOM 118 CE MET A 16 21.122 -15.879 -3.311 1.00 2.23 C ATOM 0 H MET A 16 24.143 -14.315 -7.762 1.00 0.93 H new ATOM 0 HA MET A 16 24.426 -15.282 -5.172 1.00 0.98 H new ATOM 0 HB2 MET A 16 22.459 -13.989 -6.810 1.00 1.15 H new ATOM 0 HB3 MET A 16 21.666 -15.331 -6.010 1.00 1.15 H new ATOM 0 HG2 MET A 16 23.188 -13.067 -4.677 1.00 1.45 H new ATOM 0 HG3 MET A 16 21.453 -13.317 -4.661 1.00 1.45 H new ATOM 0 HE1 MET A 16 20.543 -15.814 -2.390 1.00 2.23 H new ATOM 0 HE2 MET A 16 20.508 -15.550 -4.149 1.00 2.23 H new ATOM 0 HE3 MET A 16 21.433 -16.911 -3.472 1.00 2.23 H new ATOM 128 N ASP A 17 22.816 -17.400 -7.154 1.00 0.91 N ATOM 129 CA ASP A 17 22.451 -18.804 -7.311 1.00 0.97 C ATOM 130 C ASP A 17 23.694 -19.684 -7.239 1.00 0.88 C ATOM 131 O ASP A 17 23.684 -20.743 -6.618 1.00 0.86 O ATOM 132 CB ASP A 17 21.721 -19.025 -8.642 1.00 1.19 C ATOM 133 CG ASP A 17 20.620 -18.006 -8.884 1.00 1.80 C ATOM 134 OD1 ASP A 17 19.950 -17.606 -7.907 1.00 2.44 O ATOM 135 OD2 ASP A 17 20.425 -17.609 -10.052 1.00 2.46 O ATOM 0 H ASP A 17 22.517 -16.797 -7.921 1.00 0.91 H new ATOM 0 HA ASP A 17 21.779 -19.079 -6.498 1.00 0.97 H new ATOM 0 HB2 ASP A 17 22.441 -18.977 -9.459 1.00 1.19 H new ATOM 0 HB3 ASP A 17 21.292 -20.027 -8.654 1.00 1.19 H new ATOM 140 N ASP A 18 24.770 -19.225 -7.872 1.00 0.95 N ATOM 141 CA ASP A 18 26.033 -19.951 -7.877 1.00 1.09 C ATOM 142 C ASP A 18 26.475 -20.241 -6.448 1.00 1.01 C ATOM 143 O ASP A 18 26.852 -21.368 -6.120 1.00 1.05 O ATOM 144 CB ASP A 18 27.108 -19.145 -8.615 1.00 1.33 C ATOM 145 CG ASP A 18 27.234 -19.546 -10.073 1.00 1.90 C ATOM 146 OD1 ASP A 18 26.190 -19.698 -10.742 1.00 2.48 O ATOM 147 OD2 ASP A 18 28.378 -19.698 -10.550 1.00 2.49 O ATOM 0 H ASP A 18 24.790 -18.347 -8.391 1.00 0.95 H new ATOM 0 HA ASP A 18 25.892 -20.897 -8.399 1.00 1.09 H new ATOM 0 HB2 ASP A 18 26.869 -18.083 -8.553 1.00 1.33 H new ATOM 0 HB3 ASP A 18 28.068 -19.285 -8.118 1.00 1.33 H new ATOM 152 N GLU A 19 26.403 -19.223 -5.592 1.00 1.02 N ATOM 153 CA GLU A 19 26.775 -19.383 -4.191 1.00 1.12 C ATOM 154 C GLU A 19 25.937 -20.487 -3.562 1.00 0.89 C ATOM 155 O GLU A 19 26.466 -21.501 -3.105 1.00 0.88 O ATOM 156 CB GLU A 19 26.582 -18.074 -3.420 1.00 1.38 C ATOM 157 CG GLU A 19 27.065 -16.842 -4.165 1.00 2.04 C ATOM 158 CD GLU A 19 27.592 -15.761 -3.238 1.00 2.53 C ATOM 159 OE1 GLU A 19 26.985 -15.548 -2.166 1.00 3.07 O ATOM 160 OE2 GLU A 19 28.614 -15.131 -3.582 1.00 3.02 O ATOM 0 H GLU A 19 26.092 -18.285 -5.844 1.00 1.02 H new ATOM 0 HA GLU A 19 27.830 -19.654 -4.141 1.00 1.12 H new ATOM 0 HB2 GLU A 19 25.524 -17.954 -3.187 1.00 1.38 H new ATOM 0 HB3 GLU A 19 27.112 -18.142 -2.470 1.00 1.38 H new ATOM 0 HG2 GLU A 19 27.851 -17.130 -4.863 1.00 2.04 H new ATOM 0 HG3 GLU A 19 26.245 -16.437 -4.758 1.00 2.04 H new ATOM 167 N GLU A 20 24.618 -20.301 -3.565 1.00 0.84 N ATOM 168 CA GLU A 20 23.717 -21.306 -3.015 1.00 0.84 C ATOM 169 C GLU A 20 24.124 -22.688 -3.514 1.00 0.73 C ATOM 170 O GLU A 20 24.213 -23.639 -2.742 1.00 0.78 O ATOM 171 CB GLU A 20 22.263 -21.006 -3.401 1.00 1.03 C ATOM 172 CG GLU A 20 21.243 -21.599 -2.438 1.00 1.61 C ATOM 173 CD GLU A 20 20.984 -20.712 -1.233 1.00 1.98 C ATOM 174 OE1 GLU A 20 21.933 -20.466 -0.460 1.00 2.50 O ATOM 175 OE2 GLU A 20 19.830 -20.265 -1.062 1.00 2.49 O ATOM 0 H GLU A 20 24.155 -19.472 -3.938 1.00 0.84 H new ATOM 0 HA GLU A 20 23.788 -21.282 -1.928 1.00 0.84 H new ATOM 0 HB2 GLU A 20 22.123 -19.926 -3.446 1.00 1.03 H new ATOM 0 HB3 GLU A 20 22.074 -21.394 -4.402 1.00 1.03 H new ATOM 0 HG2 GLU A 20 20.305 -21.767 -2.968 1.00 1.61 H new ATOM 0 HG3 GLU A 20 21.595 -22.573 -2.097 1.00 1.61 H new ATOM 182 N SER A 21 24.398 -22.782 -4.813 1.00 0.75 N ATOM 183 CA SER A 21 24.823 -24.039 -5.418 1.00 0.89 C ATOM 184 C SER A 21 25.947 -24.681 -4.604 1.00 0.84 C ATOM 185 O SER A 21 25.894 -25.872 -4.298 1.00 0.91 O ATOM 186 CB SER A 21 25.284 -23.809 -6.860 1.00 1.14 C ATOM 187 OG SER A 21 24.887 -24.879 -7.699 1.00 1.59 O ATOM 0 H SER A 21 24.333 -22.001 -5.466 1.00 0.75 H new ATOM 0 HA SER A 21 23.970 -24.717 -5.424 1.00 0.89 H new ATOM 0 HB2 SER A 21 24.865 -22.875 -7.234 1.00 1.14 H new ATOM 0 HB3 SER A 21 26.369 -23.705 -6.886 1.00 1.14 H new ATOM 0 HG SER A 21 25.374 -25.691 -7.446 1.00 1.59 H new ATOM 193 N TRP A 22 26.960 -23.883 -4.244 1.00 0.91 N ATOM 194 CA TRP A 22 28.096 -24.389 -3.466 1.00 1.05 C ATOM 195 C TRP A 22 27.632 -25.256 -2.296 1.00 0.87 C ATOM 196 O TRP A 22 28.195 -26.317 -2.053 1.00 0.92 O ATOM 197 CB TRP A 22 28.977 -23.249 -2.935 1.00 1.38 C ATOM 198 CG TRP A 22 29.964 -23.721 -1.907 1.00 1.53 C ATOM 199 CD1 TRP A 22 31.094 -24.453 -2.126 1.00 2.19 C ATOM 200 CD2 TRP A 22 29.891 -23.511 -0.493 1.00 1.39 C ATOM 201 NE1 TRP A 22 31.719 -24.721 -0.932 1.00 2.16 N ATOM 202 CE2 TRP A 22 31.002 -24.149 0.083 1.00 1.65 C ATOM 203 CE3 TRP A 22 28.992 -22.844 0.339 1.00 1.73 C ATOM 204 CZ2 TRP A 22 31.235 -24.140 1.457 1.00 1.79 C ATOM 205 CZ3 TRP A 22 29.224 -22.832 1.698 1.00 2.24 C ATOM 206 CH2 TRP A 22 30.337 -23.477 2.247 1.00 2.11 C ATOM 0 H TRP A 22 27.016 -22.892 -4.477 1.00 0.91 H new ATOM 0 HA TRP A 22 28.688 -24.999 -4.148 1.00 1.05 H new ATOM 0 HB2 TRP A 22 29.513 -22.790 -3.766 1.00 1.38 H new ATOM 0 HB3 TRP A 22 28.344 -22.477 -2.499 1.00 1.38 H new ATOM 0 HD1 TRP A 22 31.446 -24.775 -3.095 1.00 2.19 H new ATOM 0 HE1 TRP A 22 32.578 -25.259 -0.821 1.00 2.16 H new ATOM 0 HE3 TRP A 22 28.128 -22.345 -0.075 1.00 1.73 H new ATOM 0 HZ2 TRP A 22 32.093 -24.638 1.882 1.00 1.79 H new ATOM 0 HZ3 TRP A 22 28.535 -22.316 2.350 1.00 2.24 H new ATOM 0 HH2 TRP A 22 30.490 -23.451 3.316 1.00 2.11 H new ATOM 217 N ILE A 23 26.624 -24.792 -1.559 1.00 0.80 N ATOM 218 CA ILE A 23 26.110 -25.549 -0.421 1.00 0.90 C ATOM 219 C ILE A 23 25.727 -26.963 -0.848 1.00 0.87 C ATOM 220 O ILE A 23 26.187 -27.947 -0.264 1.00 0.95 O ATOM 221 CB ILE A 23 24.884 -24.857 0.220 1.00 1.16 C ATOM 222 CG1 ILE A 23 25.296 -23.526 0.859 1.00 1.34 C ATOM 223 CG2 ILE A 23 24.234 -25.767 1.256 1.00 1.46 C ATOM 224 CD1 ILE A 23 24.467 -22.344 0.401 1.00 1.92 C ATOM 0 H ILE A 23 26.151 -23.904 -1.728 1.00 0.80 H new ATOM 0 HA ILE A 23 26.907 -25.594 0.322 1.00 0.90 H new ATOM 0 HB ILE A 23 24.154 -24.655 -0.564 1.00 1.16 H new ATOM 0 HG12 ILE A 23 25.218 -23.615 1.943 1.00 1.34 H new ATOM 0 HG13 ILE A 23 26.344 -23.333 0.630 1.00 1.34 H new ATOM 0 HG21 ILE A 23 23.374 -25.262 1.695 1.00 1.46 H new ATOM 0 HG22 ILE A 23 23.907 -26.689 0.776 1.00 1.46 H new ATOM 0 HG23 ILE A 23 24.956 -26.001 2.039 1.00 1.46 H new ATOM 0 HD11 ILE A 23 24.819 -21.439 0.897 1.00 1.92 H new ATOM 0 HD12 ILE A 23 24.564 -22.228 -0.678 1.00 1.92 H new ATOM 0 HD13 ILE A 23 23.421 -22.513 0.655 1.00 1.92 H new ATOM 236 N LYS A 24 24.888 -27.053 -1.873 1.00 0.92 N ATOM 237 CA LYS A 24 24.438 -28.342 -2.391 1.00 1.18 C ATOM 238 C LYS A 24 25.625 -29.226 -2.772 1.00 1.21 C ATOM 239 O LYS A 24 25.683 -30.401 -2.405 1.00 1.38 O ATOM 240 CB LYS A 24 23.533 -28.128 -3.607 1.00 1.40 C ATOM 241 CG LYS A 24 22.890 -29.405 -4.128 1.00 2.00 C ATOM 242 CD LYS A 24 22.010 -29.134 -5.341 1.00 2.68 C ATOM 243 CE LYS A 24 22.813 -29.128 -6.634 1.00 3.24 C ATOM 244 NZ LYS A 24 23.579 -27.862 -6.809 1.00 3.58 N ATOM 0 H LYS A 24 24.504 -26.246 -2.364 1.00 0.92 H new ATOM 0 HA LYS A 24 23.876 -28.848 -1.606 1.00 1.18 H new ATOM 0 HB2 LYS A 24 22.748 -27.419 -3.344 1.00 1.40 H new ATOM 0 HB3 LYS A 24 24.117 -27.674 -4.407 1.00 1.40 H new ATOM 0 HG2 LYS A 24 23.667 -30.122 -4.394 1.00 2.00 H new ATOM 0 HG3 LYS A 24 22.292 -29.861 -3.338 1.00 2.00 H new ATOM 0 HD2 LYS A 24 21.231 -29.894 -5.401 1.00 2.68 H new ATOM 0 HD3 LYS A 24 21.510 -28.173 -5.220 1.00 2.68 H new ATOM 0 HE2 LYS A 24 23.502 -29.972 -6.637 1.00 3.24 H new ATOM 0 HE3 LYS A 24 22.139 -29.264 -7.480 1.00 3.24 H new ATOM 0 HZ1 LYS A 24 23.510 -27.549 -7.798 1.00 3.58 H new ATOM 0 HZ2 LYS A 24 23.185 -27.129 -6.185 1.00 3.58 H new ATOM 0 HZ3 LYS A 24 24.577 -28.024 -6.566 1.00 3.58 H new ATOM 258 N GLU A 25 26.570 -28.649 -3.508 1.00 1.18 N ATOM 259 CA GLU A 25 27.754 -29.371 -3.941 1.00 1.40 C ATOM 260 C GLU A 25 28.584 -29.814 -2.742 1.00 1.37 C ATOM 261 O GLU A 25 29.156 -30.902 -2.739 1.00 1.59 O ATOM 262 CB GLU A 25 28.580 -28.481 -4.866 1.00 1.58 C ATOM 263 CG GLU A 25 28.193 -28.603 -6.332 1.00 2.34 C ATOM 264 CD GLU A 25 26.711 -28.381 -6.562 1.00 2.86 C ATOM 265 OE1 GLU A 25 25.928 -29.333 -6.363 1.00 3.26 O ATOM 266 OE2 GLU A 25 26.328 -27.251 -6.931 1.00 3.45 O ATOM 0 H GLU A 25 26.535 -27.677 -3.817 1.00 1.18 H new ATOM 0 HA GLU A 25 27.447 -30.265 -4.483 1.00 1.40 H new ATOM 0 HB2 GLU A 25 28.467 -27.443 -4.554 1.00 1.58 H new ATOM 0 HB3 GLU A 25 29.634 -28.734 -4.755 1.00 1.58 H new ATOM 0 HG2 GLU A 25 28.760 -27.878 -6.916 1.00 2.34 H new ATOM 0 HG3 GLU A 25 28.470 -29.592 -6.696 1.00 2.34 H new ATOM 273 N LYS A 26 28.635 -28.965 -1.723 1.00 1.19 N ATOM 274 CA LYS A 26 29.380 -29.271 -0.511 1.00 1.29 C ATOM 275 C LYS A 26 28.763 -30.473 0.184 1.00 1.31 C ATOM 276 O LYS A 26 29.459 -31.429 0.512 1.00 1.49 O ATOM 277 CB LYS A 26 29.397 -28.060 0.422 1.00 1.34 C ATOM 278 CG LYS A 26 30.211 -28.267 1.694 1.00 1.63 C ATOM 279 CD LYS A 26 29.353 -28.780 2.843 1.00 2.01 C ATOM 280 CE LYS A 26 28.188 -27.847 3.149 1.00 2.27 C ATOM 281 NZ LYS A 26 26.895 -28.388 2.644 1.00 2.77 N ATOM 0 H LYS A 26 28.168 -28.058 -1.713 1.00 1.19 H new ATOM 0 HA LYS A 26 30.409 -29.511 -0.778 1.00 1.29 H new ATOM 0 HB2 LYS A 26 29.799 -27.203 -0.119 1.00 1.34 H new ATOM 0 HB3 LYS A 26 28.372 -27.811 0.696 1.00 1.34 H new ATOM 0 HG2 LYS A 26 31.016 -28.975 1.498 1.00 1.63 H new ATOM 0 HG3 LYS A 26 30.678 -27.326 1.983 1.00 1.63 H new ATOM 0 HD2 LYS A 26 28.969 -29.769 2.594 1.00 2.01 H new ATOM 0 HD3 LYS A 26 29.971 -28.892 3.734 1.00 2.01 H new ATOM 0 HE2 LYS A 26 28.121 -27.692 4.226 1.00 2.27 H new ATOM 0 HE3 LYS A 26 28.375 -26.873 2.697 1.00 2.27 H new ATOM 0 HZ1 LYS A 26 26.117 -28.045 3.243 1.00 2.77 H new ATOM 0 HZ2 LYS A 26 26.744 -28.070 1.665 1.00 2.77 H new ATOM 0 HZ3 LYS A 26 26.920 -29.427 2.670 1.00 2.77 H new ATOM 295 N LYS A 27 27.446 -30.432 0.390 1.00 1.25 N ATOM 296 CA LYS A 27 26.744 -31.539 1.028 1.00 1.48 C ATOM 297 C LYS A 27 27.189 -32.859 0.405 1.00 1.65 C ATOM 298 O LYS A 27 27.529 -33.811 1.109 1.00 1.84 O ATOM 299 CB LYS A 27 25.229 -31.367 0.879 1.00 1.61 C ATOM 300 CG LYS A 27 24.411 -32.325 1.732 1.00 2.10 C ATOM 301 CD LYS A 27 24.025 -33.578 0.957 1.00 2.50 C ATOM 302 CE LYS A 27 23.066 -34.454 1.749 1.00 3.05 C ATOM 303 NZ LYS A 27 21.813 -33.731 2.104 1.00 3.62 N ATOM 0 H LYS A 27 26.850 -29.648 0.125 1.00 1.25 H new ATOM 0 HA LYS A 27 26.987 -31.546 2.091 1.00 1.48 H new ATOM 0 HB2 LYS A 27 24.962 -30.344 1.143 1.00 1.61 H new ATOM 0 HB3 LYS A 27 24.959 -31.507 -0.168 1.00 1.61 H new ATOM 0 HG2 LYS A 27 24.984 -32.606 2.616 1.00 2.10 H new ATOM 0 HG3 LYS A 27 23.510 -31.822 2.083 1.00 2.10 H new ATOM 0 HD2 LYS A 27 23.563 -33.294 0.012 1.00 2.50 H new ATOM 0 HD3 LYS A 27 24.922 -34.147 0.714 1.00 2.50 H new ATOM 0 HE2 LYS A 27 22.820 -35.341 1.166 1.00 3.05 H new ATOM 0 HE3 LYS A 27 23.557 -34.797 2.660 1.00 3.05 H new ATOM 0 HZ1 LYS A 27 21.082 -34.418 2.379 1.00 3.62 H new ATOM 0 HZ2 LYS A 27 21.998 -33.086 2.898 1.00 3.62 H new ATOM 0 HZ3 LYS A 27 21.483 -33.184 1.283 1.00 3.62 H new ATOM 317 N LEU A 28 27.203 -32.897 -0.925 1.00 1.65 N ATOM 318 CA LEU A 28 27.624 -34.085 -1.655 1.00 1.92 C ATOM 319 C LEU A 28 29.092 -34.387 -1.372 1.00 1.96 C ATOM 320 O LEU A 28 29.475 -35.538 -1.175 1.00 2.16 O ATOM 321 CB LEU A 28 27.415 -33.881 -3.159 1.00 2.05 C ATOM 322 CG LEU A 28 27.086 -35.148 -3.956 1.00 2.51 C ATOM 323 CD1 LEU A 28 26.273 -34.797 -5.192 1.00 2.78 C ATOM 324 CD2 LEU A 28 28.360 -35.886 -4.345 1.00 3.19 C ATOM 0 H LEU A 28 26.926 -32.115 -1.519 1.00 1.65 H new ATOM 0 HA LEU A 28 27.020 -34.929 -1.323 1.00 1.92 H new ATOM 0 HB2 LEU A 28 26.608 -33.163 -3.302 1.00 2.05 H new ATOM 0 HB3 LEU A 28 28.317 -33.434 -3.576 1.00 2.05 H new ATOM 0 HG LEU A 28 26.491 -35.808 -3.325 1.00 2.51 H new ATOM 0 HD11 LEU A 28 26.046 -35.706 -5.749 1.00 2.78 H new ATOM 0 HD12 LEU A 28 25.343 -34.315 -4.891 1.00 2.78 H new ATOM 0 HD13 LEU A 28 26.846 -34.118 -5.824 1.00 2.78 H new ATOM 0 HD21 LEU A 28 28.103 -36.782 -4.910 1.00 3.19 H new ATOM 0 HD22 LEU A 28 28.984 -35.236 -4.959 1.00 3.19 H new ATOM 0 HD23 LEU A 28 28.906 -36.169 -3.445 1.00 3.19 H new ATOM 336 N LEU A 29 29.906 -33.334 -1.354 1.00 1.84 N ATOM 337 CA LEU A 29 31.336 -33.471 -1.096 1.00 2.00 C ATOM 338 C LEU A 29 31.585 -34.143 0.251 1.00 2.03 C ATOM 339 O LEU A 29 32.510 -34.939 0.398 1.00 2.24 O ATOM 340 CB LEU A 29 32.019 -32.098 -1.133 1.00 2.00 C ATOM 341 CG LEU A 29 33.552 -32.134 -1.147 1.00 2.43 C ATOM 342 CD1 LEU A 29 34.107 -31.018 -2.023 1.00 3.02 C ATOM 343 CD2 LEU A 29 34.106 -32.027 0.268 1.00 3.08 C ATOM 0 H LEU A 29 29.598 -32.375 -1.515 1.00 1.84 H new ATOM 0 HA LEU A 29 31.762 -34.100 -1.878 1.00 2.00 H new ATOM 0 HB2 LEU A 29 31.676 -31.562 -2.018 1.00 2.00 H new ATOM 0 HB3 LEU A 29 31.692 -31.524 -0.266 1.00 2.00 H new ATOM 0 HG LEU A 29 33.866 -33.090 -1.567 1.00 2.43 H new ATOM 0 HD11 LEU A 29 35.196 -31.061 -2.020 1.00 3.02 H new ATOM 0 HD12 LEU A 29 33.742 -31.140 -3.043 1.00 3.02 H new ATOM 0 HD13 LEU A 29 33.780 -30.054 -1.634 1.00 3.02 H new ATOM 0 HD21 LEU A 29 35.195 -32.055 0.235 1.00 3.08 H new ATOM 0 HD22 LEU A 29 33.780 -31.089 0.716 1.00 3.08 H new ATOM 0 HD23 LEU A 29 33.740 -32.861 0.866 1.00 3.08 H new ATOM 355 N VAL A 30 30.751 -33.818 1.235 1.00 1.90 N ATOM 356 CA VAL A 30 30.885 -34.391 2.569 1.00 2.05 C ATOM 357 C VAL A 30 30.868 -35.915 2.512 1.00 2.27 C ATOM 358 O VAL A 30 31.622 -36.578 3.223 1.00 2.48 O ATOM 359 CB VAL A 30 29.762 -33.909 3.512 1.00 2.03 C ATOM 360 CG1 VAL A 30 29.998 -34.415 4.930 1.00 2.35 C ATOM 361 CG2 VAL A 30 29.653 -32.390 3.491 1.00 2.26 C ATOM 0 H VAL A 30 29.977 -33.162 1.133 1.00 1.90 H new ATOM 0 HA VAL A 30 31.843 -34.052 2.963 1.00 2.05 H new ATOM 0 HB VAL A 30 28.817 -34.320 3.156 1.00 2.03 H new ATOM 0 HG11 VAL A 30 29.196 -34.065 5.580 1.00 2.35 H new ATOM 0 HG12 VAL A 30 30.015 -35.505 4.929 1.00 2.35 H new ATOM 0 HG13 VAL A 30 30.953 -34.038 5.297 1.00 2.35 H new ATOM 0 HG21 VAL A 30 28.855 -32.073 4.163 1.00 2.26 H new ATOM 0 HG22 VAL A 30 30.597 -31.953 3.817 1.00 2.26 H new ATOM 0 HG23 VAL A 30 29.429 -32.055 2.478 1.00 2.26 H new ATOM 371 N SER A 31 30.002 -36.461 1.662 1.00 2.30 N ATOM 372 CA SER A 31 29.882 -37.907 1.511 1.00 2.61 C ATOM 373 C SER A 31 31.064 -38.488 0.736 1.00 2.74 C ATOM 374 O SER A 31 31.385 -39.669 0.874 1.00 3.01 O ATOM 375 CB SER A 31 28.569 -38.259 0.802 1.00 2.70 C ATOM 376 OG SER A 31 28.711 -38.192 -0.607 1.00 2.71 O ATOM 0 H SER A 31 29.373 -35.922 1.067 1.00 2.30 H new ATOM 0 HA SER A 31 29.883 -38.346 2.509 1.00 2.61 H new ATOM 0 HB2 SER A 31 28.255 -39.262 1.091 1.00 2.70 H new ATOM 0 HB3 SER A 31 27.784 -37.574 1.124 1.00 2.70 H new ATOM 0 HG SER A 31 28.976 -37.285 -0.866 1.00 2.71 H new ATOM 382 N SER A 32 31.700 -37.656 -0.088 1.00 2.63 N ATOM 383 CA SER A 32 32.837 -38.096 -0.894 1.00 2.85 C ATOM 384 C SER A 32 34.111 -38.179 -0.058 1.00 2.93 C ATOM 385 O SER A 32 34.867 -39.146 -0.165 1.00 3.19 O ATOM 386 CB SER A 32 33.049 -37.149 -2.079 1.00 2.84 C ATOM 387 OG SER A 32 33.797 -36.005 -1.700 1.00 3.16 O ATOM 0 H SER A 32 31.448 -36.676 -0.215 1.00 2.63 H new ATOM 0 HA SER A 32 32.612 -39.094 -1.270 1.00 2.85 H new ATOM 0 HB2 SER A 32 33.568 -37.676 -2.880 1.00 2.84 H new ATOM 0 HB3 SER A 32 32.083 -36.839 -2.476 1.00 2.84 H new ATOM 0 HG SER A 32 33.252 -35.436 -1.117 1.00 3.16 H new ATOM 393 N GLU A 33 34.341 -37.149 0.758 1.00 2.79 N ATOM 394 CA GLU A 33 35.526 -37.064 1.616 1.00 2.95 C ATOM 395 C GLU A 33 36.770 -36.675 0.811 1.00 3.13 C ATOM 396 O GLU A 33 37.893 -36.787 1.299 1.00 3.53 O ATOM 397 CB GLU A 33 35.769 -38.385 2.366 1.00 3.57 C ATOM 398 CG GLU A 33 35.465 -38.311 3.855 1.00 3.89 C ATOM 399 CD GLU A 33 36.583 -37.665 4.653 1.00 3.97 C ATOM 400 OE1 GLU A 33 37.733 -38.146 4.566 1.00 4.15 O ATOM 401 OE2 GLU A 33 36.307 -36.682 5.370 1.00 4.37 O ATOM 0 H GLU A 33 33.712 -36.350 0.843 1.00 2.79 H new ATOM 0 HA GLU A 33 35.336 -36.282 2.351 1.00 2.95 H new ATOM 0 HB2 GLU A 33 35.154 -39.165 1.917 1.00 3.57 H new ATOM 0 HB3 GLU A 33 36.809 -38.682 2.231 1.00 3.57 H new ATOM 0 HG2 GLU A 33 34.545 -37.747 4.006 1.00 3.89 H new ATOM 0 HG3 GLU A 33 35.288 -39.317 4.235 1.00 3.89 H new ATOM 408 N ASP A 34 36.559 -36.206 -0.421 1.00 3.39 N ATOM 409 CA ASP A 34 37.655 -35.789 -1.297 1.00 4.20 C ATOM 410 C ASP A 34 38.528 -36.977 -1.712 1.00 4.34 C ATOM 411 O ASP A 34 38.976 -37.763 -0.877 1.00 4.57 O ATOM 412 CB ASP A 34 38.508 -34.706 -0.625 1.00 4.70 C ATOM 413 CG ASP A 34 38.185 -34.541 0.850 1.00 4.63 C ATOM 414 OD1 ASP A 34 37.042 -34.151 1.167 1.00 4.85 O ATOM 415 OD2 ASP A 34 39.073 -34.804 1.686 1.00 4.83 O ATOM 0 H ASP A 34 35.633 -36.105 -0.836 1.00 3.39 H new ATOM 0 HA ASP A 34 37.210 -35.371 -2.200 1.00 4.20 H new ATOM 0 HB2 ASP A 34 39.563 -34.958 -0.736 1.00 4.70 H new ATOM 0 HB3 ASP A 34 38.352 -33.756 -1.136 1.00 4.70 H new ATOM 420 N TYR A 35 38.755 -37.085 -3.018 1.00 4.62 N ATOM 421 CA TYR A 35 39.558 -38.163 -3.601 1.00 5.01 C ATOM 422 C TYR A 35 40.868 -38.406 -2.848 1.00 4.75 C ATOM 423 O TYR A 35 41.278 -39.555 -2.685 1.00 5.05 O ATOM 424 CB TYR A 35 39.866 -37.846 -5.068 1.00 5.66 C ATOM 425 CG TYR A 35 40.090 -36.372 -5.353 1.00 6.44 C ATOM 426 CD1 TYR A 35 41.325 -35.775 -5.126 1.00 6.95 C ATOM 427 CD2 TYR A 35 39.068 -35.583 -5.863 1.00 6.97 C ATOM 428 CE1 TYR A 35 41.531 -34.437 -5.401 1.00 7.93 C ATOM 429 CE2 TYR A 35 39.266 -34.245 -6.138 1.00 7.94 C ATOM 430 CZ TYR A 35 40.499 -33.676 -5.906 1.00 8.40 C ATOM 431 OH TYR A 35 40.701 -32.343 -6.180 1.00 9.52 O ATOM 0 H TYR A 35 38.388 -36.427 -3.706 1.00 4.62 H new ATOM 0 HA TYR A 35 38.966 -39.075 -3.522 1.00 5.01 H new ATOM 0 HB2 TYR A 35 40.754 -38.402 -5.369 1.00 5.66 H new ATOM 0 HB3 TYR A 35 39.042 -38.203 -5.686 1.00 5.66 H new ATOM 0 HD1 TYR A 35 42.136 -36.367 -4.728 1.00 6.95 H new ATOM 0 HD2 TYR A 35 38.100 -36.024 -6.048 1.00 6.97 H new ATOM 0 HE1 TYR A 35 42.497 -33.989 -5.221 1.00 7.93 H new ATOM 0 HE2 TYR A 35 38.458 -33.647 -6.533 1.00 7.94 H new ATOM 0 HH TYR A 35 39.874 -31.952 -6.531 1.00 9.52 H new ATOM 441 N GLY A 36 41.524 -37.323 -2.421 1.00 4.65 N ATOM 442 CA GLY A 36 42.797 -37.418 -1.708 1.00 4.85 C ATOM 443 C GLY A 36 43.064 -38.788 -1.109 1.00 4.72 C ATOM 444 O GLY A 36 42.650 -39.068 0.017 1.00 4.78 O ATOM 0 H GLY A 36 41.192 -36.369 -2.558 1.00 4.65 H new ATOM 0 HA2 GLY A 36 43.606 -37.168 -2.394 1.00 4.85 H new ATOM 0 HA3 GLY A 36 42.813 -36.674 -0.911 1.00 4.85 H new ATOM 448 N ARG A 37 43.758 -39.632 -1.879 1.00 4.88 N ATOM 449 CA ARG A 37 44.107 -40.997 -1.466 1.00 4.91 C ATOM 450 C ARG A 37 43.151 -41.544 -0.401 1.00 4.57 C ATOM 451 O ARG A 37 43.577 -41.985 0.665 1.00 4.62 O ATOM 452 CB ARG A 37 45.556 -41.054 -0.965 1.00 5.47 C ATOM 453 CG ARG A 37 46.301 -42.319 -1.378 1.00 5.76 C ATOM 454 CD ARG A 37 45.545 -43.580 -0.980 1.00 5.57 C ATOM 455 NE ARG A 37 44.362 -43.802 -1.812 1.00 6.10 N ATOM 456 CZ ARG A 37 44.403 -44.285 -3.051 1.00 6.73 C ATOM 457 NH1 ARG A 37 45.567 -44.586 -3.614 1.00 7.28 N ATOM 458 NH2 ARG A 37 43.277 -44.463 -3.728 1.00 7.03 N ATOM 0 H ARG A 37 44.095 -39.388 -2.810 1.00 4.88 H new ATOM 0 HA ARG A 37 44.009 -41.633 -2.346 1.00 4.91 H new ATOM 0 HB2 ARG A 37 46.096 -40.186 -1.343 1.00 5.47 H new ATOM 0 HB3 ARG A 37 45.558 -40.981 0.123 1.00 5.47 H new ATOM 0 HG2 ARG A 37 46.455 -42.314 -2.457 1.00 5.76 H new ATOM 0 HG3 ARG A 37 47.288 -42.326 -0.915 1.00 5.76 H new ATOM 0 HD2 ARG A 37 46.210 -44.440 -1.060 1.00 5.57 H new ATOM 0 HD3 ARG A 37 45.243 -43.506 0.065 1.00 5.57 H new ATOM 0 HE ARG A 37 43.450 -43.572 -1.418 1.00 6.10 H new ATOM 0 HH11 ARG A 37 46.435 -44.447 -3.096 1.00 7.28 H new ATOM 0 HH12 ARG A 37 45.593 -44.956 -4.564 1.00 7.28 H new ATOM 0 HH21 ARG A 37 42.382 -44.230 -3.299 1.00 7.03 H new ATOM 0 HH22 ARG A 37 43.306 -44.833 -4.678 1.00 7.03 H new ATOM 472 N ASP A 38 41.859 -41.510 -0.710 1.00 4.69 N ATOM 473 CA ASP A 38 40.813 -41.994 0.193 1.00 4.86 C ATOM 474 C ASP A 38 41.274 -43.177 1.051 1.00 4.66 C ATOM 475 O ASP A 38 41.068 -43.180 2.265 1.00 4.86 O ATOM 476 CB ASP A 38 39.572 -42.395 -0.612 1.00 5.43 C ATOM 477 CG ASP A 38 38.292 -42.305 0.203 1.00 5.48 C ATOM 478 OD1 ASP A 38 38.110 -41.294 0.916 1.00 5.96 O ATOM 479 OD2 ASP A 38 37.475 -43.247 0.132 1.00 5.43 O ATOM 0 H ASP A 38 41.504 -41.146 -1.594 1.00 4.69 H new ATOM 0 HA ASP A 38 40.574 -41.175 0.871 1.00 4.86 H new ATOM 0 HB2 ASP A 38 39.487 -41.751 -1.487 1.00 5.43 H new ATOM 0 HB3 ASP A 38 39.695 -43.414 -0.978 1.00 5.43 H new ATOM 484 N LEU A 39 41.875 -44.182 0.409 1.00 4.60 N ATOM 485 CA LEU A 39 42.354 -45.387 1.100 1.00 4.67 C ATOM 486 C LEU A 39 42.811 -45.091 2.532 1.00 4.33 C ATOM 487 O LEU A 39 42.492 -45.839 3.457 1.00 4.41 O ATOM 488 CB LEU A 39 43.495 -46.040 0.312 1.00 4.84 C ATOM 489 CG LEU A 39 43.279 -47.518 -0.037 1.00 5.16 C ATOM 490 CD1 LEU A 39 44.142 -47.922 -1.224 1.00 5.47 C ATOM 491 CD2 LEU A 39 43.576 -48.402 1.168 1.00 5.40 C ATOM 0 H LEU A 39 42.044 -44.186 -0.597 1.00 4.60 H new ATOM 0 HA LEU A 39 41.512 -46.077 1.158 1.00 4.67 H new ATOM 0 HB2 LEU A 39 43.644 -45.482 -0.612 1.00 4.84 H new ATOM 0 HB3 LEU A 39 44.414 -45.949 0.891 1.00 4.84 H new ATOM 0 HG LEU A 39 42.233 -47.655 -0.313 1.00 5.16 H new ATOM 0 HD11 LEU A 39 43.974 -48.974 -1.455 1.00 5.47 H new ATOM 0 HD12 LEU A 39 43.878 -47.314 -2.089 1.00 5.47 H new ATOM 0 HD13 LEU A 39 45.193 -47.768 -0.979 1.00 5.47 H new ATOM 0 HD21 LEU A 39 43.417 -49.447 0.901 1.00 5.40 H new ATOM 0 HD22 LEU A 39 44.612 -48.260 1.477 1.00 5.40 H new ATOM 0 HD23 LEU A 39 42.912 -48.133 1.989 1.00 5.40 H new ATOM 503 N THR A 40 43.545 -43.996 2.713 1.00 4.12 N ATOM 504 CA THR A 40 44.023 -43.611 4.038 1.00 3.95 C ATOM 505 C THR A 40 42.950 -42.802 4.762 1.00 3.81 C ATOM 506 O THR A 40 43.131 -41.619 5.037 1.00 3.56 O ATOM 507 CB THR A 40 45.323 -42.804 3.930 1.00 3.89 C ATOM 508 OG1 THR A 40 45.707 -42.295 5.197 1.00 4.22 O ATOM 509 CG2 THR A 40 45.234 -41.631 2.972 1.00 3.59 C ATOM 0 H THR A 40 43.821 -43.362 1.963 1.00 4.12 H new ATOM 0 HA THR A 40 44.231 -44.514 4.612 1.00 3.95 H new ATOM 0 HB THR A 40 46.061 -43.508 3.544 1.00 3.89 H new ATOM 0 HG1 THR A 40 45.045 -41.640 5.501 1.00 4.22 H new ATOM 0 HG21 THR A 40 46.190 -41.108 2.948 1.00 3.59 H new ATOM 0 HG22 THR A 40 44.994 -41.995 1.973 1.00 3.59 H new ATOM 0 HG23 THR A 40 44.454 -40.947 3.306 1.00 3.59 H new ATOM 517 N GLY A 41 41.826 -43.454 5.054 1.00 4.04 N ATOM 518 CA GLY A 41 40.714 -42.795 5.723 1.00 4.02 C ATOM 519 C GLY A 41 41.137 -41.801 6.793 1.00 3.78 C ATOM 520 O GLY A 41 40.630 -40.682 6.832 1.00 3.57 O ATOM 0 H GLY A 41 41.665 -44.437 4.837 1.00 4.04 H new ATOM 0 HA2 GLY A 41 40.111 -42.276 4.978 1.00 4.02 H new ATOM 0 HA3 GLY A 41 40.076 -43.553 6.178 1.00 4.02 H new ATOM 524 N VAL A 42 42.059 -42.199 7.661 1.00 3.86 N ATOM 525 CA VAL A 42 42.525 -41.318 8.729 1.00 3.76 C ATOM 526 C VAL A 42 43.046 -39.987 8.181 1.00 3.39 C ATOM 527 O VAL A 42 42.518 -38.922 8.511 1.00 3.25 O ATOM 528 CB VAL A 42 43.619 -41.996 9.586 1.00 3.99 C ATOM 529 CG1 VAL A 42 44.770 -42.489 8.716 1.00 4.39 C ATOM 530 CG2 VAL A 42 44.122 -41.049 10.670 1.00 4.39 C ATOM 0 H VAL A 42 42.498 -43.120 7.649 1.00 3.86 H new ATOM 0 HA VAL A 42 41.662 -41.114 9.362 1.00 3.76 H new ATOM 0 HB VAL A 42 43.174 -42.864 10.074 1.00 3.99 H new ATOM 0 HG11 VAL A 42 45.525 -42.961 9.345 1.00 4.39 H new ATOM 0 HG12 VAL A 42 44.395 -43.213 7.993 1.00 4.39 H new ATOM 0 HG13 VAL A 42 45.214 -41.645 8.188 1.00 4.39 H new ATOM 0 HG21 VAL A 42 44.891 -41.547 11.260 1.00 4.39 H new ATOM 0 HG22 VAL A 42 44.542 -40.156 10.207 1.00 4.39 H new ATOM 0 HG23 VAL A 42 43.293 -40.766 11.319 1.00 4.39 H new ATOM 540 N GLN A 43 44.071 -40.047 7.337 1.00 3.28 N ATOM 541 CA GLN A 43 44.640 -38.840 6.750 1.00 3.01 C ATOM 542 C GLN A 43 43.618 -38.158 5.849 1.00 2.82 C ATOM 543 O GLN A 43 43.692 -36.954 5.605 1.00 2.61 O ATOM 544 CB GLN A 43 45.907 -39.173 5.955 1.00 3.07 C ATOM 545 CG GLN A 43 46.935 -38.052 5.949 1.00 3.47 C ATOM 546 CD GLN A 43 47.664 -37.920 7.274 1.00 3.77 C ATOM 547 OE1 GLN A 43 47.100 -37.447 8.261 1.00 4.06 O ATOM 548 NE2 GLN A 43 48.922 -38.341 7.304 1.00 4.24 N ATOM 0 H GLN A 43 44.522 -40.914 7.046 1.00 3.28 H new ATOM 0 HA GLN A 43 44.907 -38.158 7.557 1.00 3.01 H new ATOM 0 HB2 GLN A 43 46.363 -40.070 6.373 1.00 3.07 H new ATOM 0 HB3 GLN A 43 45.630 -39.406 4.927 1.00 3.07 H new ATOM 0 HG2 GLN A 43 47.661 -38.234 5.156 1.00 3.47 H new ATOM 0 HG3 GLN A 43 46.438 -37.110 5.717 1.00 3.47 H new ATOM 0 HE21 GLN A 43 49.351 -38.727 6.463 1.00 4.24 H new ATOM 0 HE22 GLN A 43 49.460 -38.279 8.168 1.00 4.24 H new ATOM 557 N ASN A 44 42.662 -38.942 5.362 1.00 2.97 N ATOM 558 CA ASN A 44 41.615 -38.424 4.494 1.00 2.93 C ATOM 559 C ASN A 44 40.701 -37.491 5.275 1.00 2.82 C ATOM 560 O ASN A 44 40.351 -36.410 4.802 1.00 2.66 O ATOM 561 CB ASN A 44 40.805 -39.572 3.883 1.00 3.26 C ATOM 562 CG ASN A 44 39.919 -39.114 2.740 1.00 3.37 C ATOM 563 OD1 ASN A 44 39.981 -37.964 2.314 1.00 3.42 O ATOM 564 ND2 ASN A 44 39.084 -40.016 2.239 1.00 3.83 N ATOM 0 H ASN A 44 42.592 -39.941 5.555 1.00 2.97 H new ATOM 0 HA ASN A 44 42.082 -37.863 3.684 1.00 2.93 H new ATOM 0 HB2 ASN A 44 41.487 -40.342 3.523 1.00 3.26 H new ATOM 0 HB3 ASN A 44 40.188 -40.029 4.657 1.00 3.26 H new ATOM 0 HD21 ASN A 44 38.462 -39.764 1.471 1.00 3.83 H new ATOM 0 HD22 ASN A 44 39.064 -40.961 2.622 1.00 3.83 H new ATOM 571 N LEU A 45 40.329 -37.911 6.481 1.00 3.00 N ATOM 572 CA LEU A 45 39.467 -37.103 7.333 1.00 3.01 C ATOM 573 C LEU A 45 40.152 -35.780 7.657 1.00 2.73 C ATOM 574 O LEU A 45 39.597 -34.708 7.419 1.00 2.57 O ATOM 575 CB LEU A 45 39.129 -37.854 8.626 1.00 3.36 C ATOM 576 CG LEU A 45 37.863 -37.373 9.344 1.00 3.84 C ATOM 577 CD1 LEU A 45 36.623 -37.693 8.519 1.00 4.23 C ATOM 578 CD2 LEU A 45 37.763 -37.997 10.729 1.00 4.27 C ATOM 0 H LEU A 45 40.611 -38.803 6.888 1.00 3.00 H new ATOM 0 HA LEU A 45 38.538 -36.903 6.800 1.00 3.01 H new ATOM 0 HB2 LEU A 45 39.017 -38.913 8.394 1.00 3.36 H new ATOM 0 HB3 LEU A 45 39.972 -37.765 9.311 1.00 3.36 H new ATOM 0 HG LEU A 45 37.925 -36.291 9.460 1.00 3.84 H new ATOM 0 HD11 LEU A 45 35.735 -37.344 9.046 1.00 4.23 H new ATOM 0 HD12 LEU A 45 36.691 -37.195 7.552 1.00 4.23 H new ATOM 0 HD13 LEU A 45 36.555 -38.770 8.368 1.00 4.23 H new ATOM 0 HD21 LEU A 45 36.858 -37.643 11.223 1.00 4.27 H new ATOM 0 HD22 LEU A 45 37.726 -39.082 10.637 1.00 4.27 H new ATOM 0 HD23 LEU A 45 38.634 -37.712 11.320 1.00 4.27 H new ATOM 590 N ARG A 46 41.368 -35.868 8.189 1.00 2.73 N ATOM 591 CA ARG A 46 42.142 -34.681 8.538 1.00 2.59 C ATOM 592 C ARG A 46 42.206 -33.703 7.368 1.00 2.28 C ATOM 593 O ARG A 46 42.082 -32.491 7.553 1.00 2.17 O ATOM 594 CB ARG A 46 43.560 -35.075 8.966 1.00 2.76 C ATOM 595 CG ARG A 46 43.872 -34.741 10.416 1.00 2.97 C ATOM 596 CD ARG A 46 45.346 -34.943 10.733 1.00 3.51 C ATOM 597 NE ARG A 46 45.751 -36.341 10.589 1.00 4.06 N ATOM 598 CZ ARG A 46 45.526 -37.275 11.509 1.00 4.80 C ATOM 599 NH1 ARG A 46 44.891 -36.968 12.631 1.00 5.15 N ATOM 600 NH2 ARG A 46 45.935 -38.519 11.301 1.00 5.49 N ATOM 0 H ARG A 46 41.839 -36.751 8.388 1.00 2.73 H new ATOM 0 HA ARG A 46 41.641 -34.188 9.371 1.00 2.59 H new ATOM 0 HB2 ARG A 46 43.693 -36.146 8.812 1.00 2.76 H new ATOM 0 HB3 ARG A 46 44.279 -34.568 8.322 1.00 2.76 H new ATOM 0 HG2 ARG A 46 43.594 -33.707 10.620 1.00 2.97 H new ATOM 0 HG3 ARG A 46 43.269 -35.368 11.072 1.00 2.97 H new ATOM 0 HD2 ARG A 46 45.948 -34.321 10.070 1.00 3.51 H new ATOM 0 HD3 ARG A 46 45.547 -34.611 11.751 1.00 3.51 H new ATOM 0 HE ARG A 46 46.234 -36.616 9.734 1.00 4.06 H new ATOM 0 HH11 ARG A 46 44.573 -36.012 12.792 1.00 5.15 H new ATOM 0 HH12 ARG A 46 44.721 -37.687 13.334 1.00 5.15 H new ATOM 0 HH21 ARG A 46 46.421 -38.758 10.437 1.00 5.49 H new ATOM 0 HH22 ARG A 46 45.763 -39.237 12.005 1.00 5.49 H new ATOM 614 N LYS A 47 42.406 -34.233 6.164 1.00 2.24 N ATOM 615 CA LYS A 47 42.487 -33.401 4.969 1.00 2.12 C ATOM 616 C LYS A 47 41.142 -32.740 4.690 1.00 2.02 C ATOM 617 O LYS A 47 41.075 -31.550 4.383 1.00 1.89 O ATOM 618 CB LYS A 47 42.940 -34.243 3.765 1.00 2.32 C ATOM 619 CG LYS A 47 42.224 -33.910 2.462 1.00 2.70 C ATOM 620 CD LYS A 47 42.645 -34.841 1.334 1.00 3.12 C ATOM 621 CE LYS A 47 42.009 -36.217 1.480 1.00 3.66 C ATOM 622 NZ LYS A 47 40.953 -36.462 0.457 1.00 4.30 N ATOM 0 H LYS A 47 42.515 -35.232 5.991 1.00 2.24 H new ATOM 0 HA LYS A 47 43.224 -32.616 5.137 1.00 2.12 H new ATOM 0 HB2 LYS A 47 44.012 -34.105 3.623 1.00 2.32 H new ATOM 0 HB3 LYS A 47 42.782 -35.297 3.994 1.00 2.32 H new ATOM 0 HG2 LYS A 47 41.147 -33.982 2.610 1.00 2.70 H new ATOM 0 HG3 LYS A 47 42.439 -32.879 2.182 1.00 2.70 H new ATOM 0 HD2 LYS A 47 42.359 -34.406 0.376 1.00 3.12 H new ATOM 0 HD3 LYS A 47 43.731 -34.939 1.328 1.00 3.12 H new ATOM 0 HE2 LYS A 47 42.780 -36.983 1.394 1.00 3.66 H new ATOM 0 HE3 LYS A 47 41.576 -36.311 2.476 1.00 3.66 H new ATOM 0 HZ1 LYS A 47 41.040 -37.433 0.094 1.00 4.30 H new ATOM 0 HZ2 LYS A 47 40.015 -36.337 0.889 1.00 4.30 H new ATOM 0 HZ3 LYS A 47 41.066 -35.788 -0.327 1.00 4.30 H new ATOM 636 N LYS A 48 40.073 -33.520 4.807 1.00 2.17 N ATOM 637 CA LYS A 48 38.728 -33.012 4.574 1.00 2.20 C ATOM 638 C LYS A 48 38.411 -31.883 5.547 1.00 2.02 C ATOM 639 O LYS A 48 37.841 -30.864 5.168 1.00 1.90 O ATOM 640 CB LYS A 48 37.706 -34.140 4.718 1.00 2.54 C ATOM 641 CG LYS A 48 36.390 -33.869 4.002 1.00 3.02 C ATOM 642 CD LYS A 48 35.273 -33.526 4.978 1.00 3.19 C ATOM 643 CE LYS A 48 33.930 -34.053 4.497 1.00 3.73 C ATOM 644 NZ LYS A 48 33.655 -35.425 5.009 1.00 4.17 N ATOM 0 H LYS A 48 40.113 -34.507 5.062 1.00 2.17 H new ATOM 0 HA LYS A 48 38.675 -32.619 3.559 1.00 2.20 H new ATOM 0 HB2 LYS A 48 38.138 -35.062 4.328 1.00 2.54 H new ATOM 0 HB3 LYS A 48 37.506 -34.304 5.777 1.00 2.54 H new ATOM 0 HG2 LYS A 48 36.522 -33.047 3.298 1.00 3.02 H new ATOM 0 HG3 LYS A 48 36.107 -34.745 3.419 1.00 3.02 H new ATOM 0 HD2 LYS A 48 35.501 -33.948 5.957 1.00 3.19 H new ATOM 0 HD3 LYS A 48 35.217 -32.445 5.103 1.00 3.19 H new ATOM 0 HE2 LYS A 48 33.138 -33.379 4.823 1.00 3.73 H new ATOM 0 HE3 LYS A 48 33.913 -34.062 3.407 1.00 3.73 H new ATOM 0 HZ1 LYS A 48 33.049 -35.933 4.333 1.00 4.17 H new ATOM 0 HZ2 LYS A 48 34.552 -35.939 5.123 1.00 4.17 H new ATOM 0 HZ3 LYS A 48 33.172 -35.362 5.928 1.00 4.17 H new ATOM 658 N HIS A 49 38.801 -32.071 6.804 1.00 2.10 N ATOM 659 CA HIS A 49 38.574 -31.069 7.837 1.00 2.10 C ATOM 660 C HIS A 49 39.251 -29.754 7.465 1.00 1.82 C ATOM 661 O HIS A 49 38.607 -28.703 7.407 1.00 1.72 O ATOM 662 CB HIS A 49 39.110 -31.572 9.181 1.00 2.37 C ATOM 663 CG HIS A 49 38.378 -31.025 10.367 1.00 2.66 C ATOM 664 ND1 HIS A 49 38.785 -29.918 11.076 1.00 2.97 N ATOM 665 CD2 HIS A 49 37.240 -31.458 10.968 1.00 3.22 C ATOM 666 CE1 HIS A 49 37.905 -29.717 12.066 1.00 3.47 C ATOM 667 NE2 HIS A 49 36.948 -30.624 12.043 1.00 3.60 N ATOM 0 H HIS A 49 39.277 -32.911 7.131 1.00 2.10 H new ATOM 0 HA HIS A 49 37.501 -30.895 7.922 1.00 2.10 H new ATOM 0 HB2 HIS A 49 39.052 -32.660 9.200 1.00 2.37 H new ATOM 0 HB3 HIS A 49 40.164 -31.308 9.263 1.00 2.37 H new ATOM 0 HD1 HIS A 49 39.610 -29.351 10.882 1.00 2.97 H new ATOM 0 HD2 HIS A 49 36.655 -32.313 10.661 1.00 3.22 H new ATOM 0 HE1 HIS A 49 37.971 -28.917 12.788 1.00 3.47 H new ATOM 675 N LYS A 50 40.558 -29.820 7.211 1.00 1.76 N ATOM 676 CA LYS A 50 41.321 -28.633 6.844 1.00 1.67 C ATOM 677 C LYS A 50 40.731 -27.983 5.600 1.00 1.49 C ATOM 678 O LYS A 50 40.690 -26.758 5.490 1.00 1.46 O ATOM 679 CB LYS A 50 42.790 -28.995 6.604 1.00 1.79 C ATOM 680 CG LYS A 50 43.496 -29.548 7.837 1.00 2.13 C ATOM 681 CD LYS A 50 44.383 -28.502 8.501 1.00 2.64 C ATOM 682 CE LYS A 50 43.563 -27.456 9.245 1.00 3.07 C ATOM 683 NZ LYS A 50 42.691 -28.067 10.287 1.00 3.17 N ATOM 0 H LYS A 50 41.106 -30.679 7.253 1.00 1.76 H new ATOM 0 HA LYS A 50 41.266 -27.921 7.668 1.00 1.67 H new ATOM 0 HB2 LYS A 50 42.847 -29.732 5.803 1.00 1.79 H new ATOM 0 HB3 LYS A 50 43.322 -28.108 6.259 1.00 1.79 H new ATOM 0 HG2 LYS A 50 42.754 -29.901 8.553 1.00 2.13 H new ATOM 0 HG3 LYS A 50 44.101 -30.409 7.553 1.00 2.13 H new ATOM 0 HD2 LYS A 50 45.065 -28.992 9.196 1.00 2.64 H new ATOM 0 HD3 LYS A 50 44.997 -28.013 7.745 1.00 2.64 H new ATOM 0 HE2 LYS A 50 44.234 -26.734 9.711 1.00 3.07 H new ATOM 0 HE3 LYS A 50 42.947 -26.906 8.534 1.00 3.07 H new ATOM 0 HZ1 LYS A 50 42.810 -27.554 11.184 1.00 3.17 H new ATOM 0 HZ2 LYS A 50 41.697 -28.011 9.985 1.00 3.17 H new ATOM 0 HZ3 LYS A 50 42.956 -29.064 10.421 1.00 3.17 H new ATOM 697 N ARG A 51 40.268 -28.812 4.672 1.00 1.50 N ATOM 698 CA ARG A 51 39.668 -28.319 3.441 1.00 1.50 C ATOM 699 C ARG A 51 38.433 -27.488 3.754 1.00 1.38 C ATOM 700 O ARG A 51 38.279 -26.377 3.251 1.00 1.27 O ATOM 701 CB ARG A 51 39.302 -29.491 2.526 1.00 1.77 C ATOM 702 CG ARG A 51 38.949 -29.081 1.105 1.00 2.17 C ATOM 703 CD ARG A 51 38.014 -30.088 0.450 1.00 2.52 C ATOM 704 NE ARG A 51 38.302 -30.263 -0.971 1.00 2.87 N ATOM 705 CZ ARG A 51 37.998 -29.371 -1.907 1.00 3.47 C ATOM 706 NH1 ARG A 51 37.391 -28.242 -1.569 1.00 3.79 N ATOM 707 NH2 ARG A 51 38.304 -29.602 -3.176 1.00 4.13 N ATOM 0 H ARG A 51 40.297 -29.829 4.750 1.00 1.50 H new ATOM 0 HA ARG A 51 40.392 -27.687 2.927 1.00 1.50 H new ATOM 0 HB2 ARG A 51 40.139 -30.189 2.494 1.00 1.77 H new ATOM 0 HB3 ARG A 51 38.457 -30.026 2.959 1.00 1.77 H new ATOM 0 HG2 ARG A 51 38.478 -28.098 1.115 1.00 2.17 H new ATOM 0 HG3 ARG A 51 39.860 -28.991 0.514 1.00 2.17 H new ATOM 0 HD2 ARG A 51 38.103 -31.048 0.958 1.00 2.52 H new ATOM 0 HD3 ARG A 51 36.983 -29.757 0.572 1.00 2.52 H new ATOM 0 HE ARG A 51 38.765 -31.124 -1.263 1.00 2.87 H new ATOM 0 HH11 ARG A 51 37.159 -28.060 -0.593 1.00 3.79 H new ATOM 0 HH12 ARG A 51 37.156 -27.555 -2.285 1.00 3.79 H new ATOM 0 HH21 ARG A 51 38.775 -30.468 -3.438 1.00 4.13 H new ATOM 0 HH22 ARG A 51 38.068 -28.914 -3.891 1.00 4.13 H new ATOM 721 N LEU A 52 37.565 -28.028 4.602 1.00 1.51 N ATOM 722 CA LEU A 52 36.347 -27.330 4.996 1.00 1.55 C ATOM 723 C LEU A 52 36.684 -25.968 5.592 1.00 1.33 C ATOM 724 O LEU A 52 36.173 -24.945 5.148 1.00 1.22 O ATOM 725 CB LEU A 52 35.549 -28.164 6.005 1.00 1.88 C ATOM 726 CG LEU A 52 34.571 -29.169 5.388 1.00 2.21 C ATOM 727 CD1 LEU A 52 34.224 -30.261 6.390 1.00 2.90 C ATOM 728 CD2 LEU A 52 33.311 -28.464 4.905 1.00 2.58 C ATOM 0 H LEU A 52 37.682 -28.947 5.030 1.00 1.51 H new ATOM 0 HA LEU A 52 35.735 -27.182 4.106 1.00 1.55 H new ATOM 0 HB2 LEU A 52 36.250 -28.706 6.640 1.00 1.88 H new ATOM 0 HB3 LEU A 52 34.991 -27.487 6.651 1.00 1.88 H new ATOM 0 HG LEU A 52 35.053 -29.633 4.528 1.00 2.21 H new ATOM 0 HD11 LEU A 52 33.528 -30.965 5.934 1.00 2.90 H new ATOM 0 HD12 LEU A 52 35.132 -30.787 6.684 1.00 2.90 H new ATOM 0 HD13 LEU A 52 33.762 -29.814 7.270 1.00 2.90 H new ATOM 0 HD21 LEU A 52 32.629 -29.195 4.470 1.00 2.58 H new ATOM 0 HD22 LEU A 52 32.825 -27.970 5.747 1.00 2.58 H new ATOM 0 HD23 LEU A 52 33.575 -27.722 4.152 1.00 2.58 H new ATOM 740 N GLU A 53 37.559 -25.962 6.592 1.00 1.38 N ATOM 741 CA GLU A 53 37.967 -24.721 7.239 1.00 1.39 C ATOM 742 C GLU A 53 38.479 -23.709 6.217 1.00 1.16 C ATOM 743 O GLU A 53 38.064 -22.549 6.220 1.00 1.13 O ATOM 744 CB GLU A 53 39.046 -24.999 8.290 1.00 1.66 C ATOM 745 CG GLU A 53 38.496 -25.488 9.623 1.00 2.20 C ATOM 746 CD GLU A 53 38.619 -26.991 9.796 1.00 2.62 C ATOM 747 OE1 GLU A 53 39.764 -27.491 9.860 1.00 3.17 O ATOM 748 OE2 GLU A 53 37.570 -27.669 9.871 1.00 3.08 O ATOM 0 H GLU A 53 37.998 -26.801 6.971 1.00 1.38 H new ATOM 0 HA GLU A 53 37.092 -24.295 7.731 1.00 1.39 H new ATOM 0 HB2 GLU A 53 39.738 -25.744 7.898 1.00 1.66 H new ATOM 0 HB3 GLU A 53 39.620 -24.088 8.457 1.00 1.66 H new ATOM 0 HG2 GLU A 53 39.026 -24.989 10.434 1.00 2.20 H new ATOM 0 HG3 GLU A 53 37.447 -25.202 9.705 1.00 2.20 H new ATOM 755 N ALA A 54 39.375 -24.151 5.335 1.00 1.13 N ATOM 756 CA ALA A 54 39.922 -23.269 4.310 1.00 1.16 C ATOM 757 C ALA A 54 38.814 -22.758 3.403 1.00 0.99 C ATOM 758 O ALA A 54 38.786 -21.584 3.034 1.00 1.03 O ATOM 759 CB ALA A 54 40.987 -23.992 3.498 1.00 1.35 C ATOM 0 H ALA A 54 39.733 -25.106 5.311 1.00 1.13 H new ATOM 0 HA ALA A 54 40.386 -22.414 4.801 1.00 1.16 H new ATOM 0 HB1 ALA A 54 41.384 -23.319 2.738 1.00 1.35 H new ATOM 0 HB2 ALA A 54 41.794 -24.311 4.158 1.00 1.35 H new ATOM 0 HB3 ALA A 54 40.547 -24.865 3.016 1.00 1.35 H new ATOM 765 N GLU A 55 37.899 -23.653 3.054 1.00 0.99 N ATOM 766 CA GLU A 55 36.774 -23.311 2.204 1.00 1.06 C ATOM 767 C GLU A 55 35.934 -22.209 2.845 1.00 0.88 C ATOM 768 O GLU A 55 35.705 -21.164 2.241 1.00 0.90 O ATOM 769 CB GLU A 55 35.917 -24.555 1.942 1.00 1.35 C ATOM 770 CG GLU A 55 36.157 -25.182 0.579 1.00 1.84 C ATOM 771 CD GLU A 55 35.290 -26.402 0.336 1.00 1.93 C ATOM 772 OE1 GLU A 55 35.717 -27.517 0.703 1.00 2.60 O ATOM 773 OE2 GLU A 55 34.185 -26.241 -0.222 1.00 2.20 O ATOM 0 H GLU A 55 37.918 -24.629 3.351 1.00 0.99 H new ATOM 0 HA GLU A 55 37.155 -22.940 1.252 1.00 1.06 H new ATOM 0 HB2 GLU A 55 36.121 -25.296 2.715 1.00 1.35 H new ATOM 0 HB3 GLU A 55 34.864 -24.286 2.029 1.00 1.35 H new ATOM 0 HG2 GLU A 55 35.961 -24.442 -0.197 1.00 1.84 H new ATOM 0 HG3 GLU A 55 37.206 -25.464 0.493 1.00 1.84 H new ATOM 780 N LEU A 56 35.486 -22.447 4.076 1.00 0.90 N ATOM 781 CA LEU A 56 34.675 -21.472 4.798 1.00 0.98 C ATOM 782 C LEU A 56 35.344 -20.104 4.824 1.00 0.91 C ATOM 783 O LEU A 56 34.684 -19.079 4.651 1.00 0.99 O ATOM 784 CB LEU A 56 34.407 -21.953 6.226 1.00 1.26 C ATOM 785 CG LEU A 56 33.431 -23.130 6.346 1.00 2.02 C ATOM 786 CD1 LEU A 56 33.612 -23.840 7.680 1.00 2.67 C ATOM 787 CD2 LEU A 56 31.993 -22.653 6.183 1.00 2.55 C ATOM 0 H LEU A 56 35.671 -23.306 4.593 1.00 0.90 H new ATOM 0 HA LEU A 56 33.726 -21.375 4.271 1.00 0.98 H new ATOM 0 HB2 LEU A 56 35.356 -22.241 6.680 1.00 1.26 H new ATOM 0 HB3 LEU A 56 34.017 -21.117 6.807 1.00 1.26 H new ATOM 0 HG LEU A 56 33.649 -23.839 5.547 1.00 2.02 H new ATOM 0 HD11 LEU A 56 32.911 -24.672 7.747 1.00 2.67 H new ATOM 0 HD12 LEU A 56 34.632 -24.217 7.756 1.00 2.67 H new ATOM 0 HD13 LEU A 56 33.423 -23.140 8.494 1.00 2.67 H new ATOM 0 HD21 LEU A 56 31.316 -23.502 6.271 1.00 2.55 H new ATOM 0 HD22 LEU A 56 31.762 -21.923 6.958 1.00 2.55 H new ATOM 0 HD23 LEU A 56 31.871 -22.192 5.203 1.00 2.55 H new ATOM 799 N ALA A 57 36.653 -20.094 5.040 1.00 0.92 N ATOM 800 CA ALA A 57 37.403 -18.849 5.085 1.00 1.14 C ATOM 801 C ALA A 57 37.373 -18.145 3.734 1.00 1.08 C ATOM 802 O ALA A 57 37.057 -16.962 3.648 1.00 1.22 O ATOM 803 CB ALA A 57 38.834 -19.120 5.515 1.00 1.37 C ATOM 0 H ALA A 57 37.215 -20.933 5.186 1.00 0.92 H new ATOM 0 HA ALA A 57 36.934 -18.190 5.816 1.00 1.14 H new ATOM 0 HB1 ALA A 57 39.388 -18.182 5.546 1.00 1.37 H new ATOM 0 HB2 ALA A 57 38.836 -19.576 6.505 1.00 1.37 H new ATOM 0 HB3 ALA A 57 39.306 -19.797 4.803 1.00 1.37 H new ATOM 809 N ALA A 58 37.713 -18.883 2.684 1.00 1.03 N ATOM 810 CA ALA A 58 37.738 -18.343 1.327 1.00 1.19 C ATOM 811 C ALA A 58 36.354 -17.911 0.858 1.00 1.03 C ATOM 812 O ALA A 58 36.232 -17.009 0.026 1.00 1.17 O ATOM 813 CB ALA A 58 38.315 -19.375 0.375 1.00 1.43 C ATOM 0 H ALA A 58 37.978 -19.866 2.746 1.00 1.03 H new ATOM 0 HA ALA A 58 38.370 -17.455 1.334 1.00 1.19 H new ATOM 0 HB1 ALA A 58 38.332 -18.968 -0.636 1.00 1.43 H new ATOM 0 HB2 ALA A 58 39.330 -19.626 0.682 1.00 1.43 H new ATOM 0 HB3 ALA A 58 37.698 -20.273 0.394 1.00 1.43 H new ATOM 819 N HIS A 59 35.313 -18.550 1.379 1.00 0.87 N ATOM 820 CA HIS A 59 33.960 -18.217 0.990 1.00 0.90 C ATOM 821 C HIS A 59 33.571 -16.843 1.498 1.00 0.80 C ATOM 822 O HIS A 59 33.021 -16.055 0.744 1.00 0.89 O ATOM 823 CB HIS A 59 32.981 -19.270 1.499 1.00 1.13 C ATOM 824 CG HIS A 59 33.296 -20.640 1.001 1.00 1.46 C ATOM 825 ND1 HIS A 59 34.061 -20.892 -0.115 1.00 2.16 N ATOM 826 CD2 HIS A 59 32.955 -21.849 1.501 1.00 1.68 C ATOM 827 CE1 HIS A 59 34.160 -22.218 -0.255 1.00 2.61 C ATOM 828 NE2 HIS A 59 33.508 -22.846 0.702 1.00 2.36 N ATOM 0 H HIS A 59 35.386 -19.298 2.069 1.00 0.87 H new ATOM 0 HA HIS A 59 33.917 -18.201 -0.099 1.00 0.90 H new ATOM 0 HB2 HIS A 59 32.992 -19.273 2.589 1.00 1.13 H new ATOM 0 HB3 HIS A 59 31.971 -19.000 1.191 1.00 1.13 H new ATOM 0 HD2 HIS A 59 32.350 -22.015 2.380 1.00 1.68 H new ATOM 0 HE1 HIS A 59 34.703 -22.710 -1.048 1.00 2.61 H new ATOM 0 HE2 HIS A 59 33.425 -23.854 0.831 1.00 2.36 H new ATOM 836 N GLU A 60 33.845 -16.562 2.778 1.00 0.87 N ATOM 837 CA GLU A 60 33.494 -15.264 3.354 1.00 1.09 C ATOM 838 C GLU A 60 33.743 -14.151 2.340 1.00 1.11 C ATOM 839 O GLU A 60 32.812 -13.458 1.944 1.00 1.12 O ATOM 840 CB GLU A 60 34.274 -15.001 4.648 1.00 1.39 C ATOM 841 CG GLU A 60 33.384 -14.682 5.844 1.00 1.92 C ATOM 842 CD GLU A 60 32.780 -15.920 6.482 1.00 2.39 C ATOM 843 OE1 GLU A 60 33.537 -16.869 6.777 1.00 3.01 O ATOM 844 OE2 GLU A 60 31.549 -15.935 6.698 1.00 2.70 O ATOM 0 H GLU A 60 34.301 -17.207 3.423 1.00 0.87 H new ATOM 0 HA GLU A 60 32.433 -15.280 3.604 1.00 1.09 H new ATOM 0 HB2 GLU A 60 34.881 -15.876 4.881 1.00 1.39 H new ATOM 0 HB3 GLU A 60 34.961 -14.171 4.486 1.00 1.39 H new ATOM 0 HG2 GLU A 60 33.968 -14.143 6.591 1.00 1.92 H new ATOM 0 HG3 GLU A 60 32.582 -14.016 5.525 1.00 1.92 H new ATOM 851 N PRO A 61 35.001 -13.955 1.901 1.00 1.23 N ATOM 852 CA PRO A 61 35.330 -12.925 0.918 1.00 1.42 C ATOM 853 C PRO A 61 34.308 -12.861 -0.220 1.00 1.32 C ATOM 854 O PRO A 61 33.850 -11.782 -0.596 1.00 1.44 O ATOM 855 CB PRO A 61 36.687 -13.392 0.390 1.00 1.60 C ATOM 856 CG PRO A 61 37.322 -14.066 1.553 1.00 1.59 C ATOM 857 CD PRO A 61 36.201 -14.704 2.330 1.00 1.29 C ATOM 0 HA PRO A 61 35.335 -11.923 1.348 1.00 1.42 H new ATOM 0 HB2 PRO A 61 36.573 -14.075 -0.452 1.00 1.60 H new ATOM 0 HB3 PRO A 61 37.288 -12.553 0.040 1.00 1.60 H new ATOM 0 HG2 PRO A 61 38.043 -14.814 1.224 1.00 1.59 H new ATOM 0 HG3 PRO A 61 37.865 -13.350 2.170 1.00 1.59 H new ATOM 0 HD2 PRO A 61 36.111 -15.766 2.103 1.00 1.29 H new ATOM 0 HD3 PRO A 61 36.361 -14.620 3.405 1.00 1.29 H new ATOM 865 N ALA A 62 33.962 -14.026 -0.766 1.00 1.18 N ATOM 866 CA ALA A 62 33.008 -14.110 -1.875 1.00 1.22 C ATOM 867 C ALA A 62 31.559 -14.003 -1.401 1.00 1.00 C ATOM 868 O ALA A 62 30.673 -13.626 -2.169 1.00 1.06 O ATOM 869 CB ALA A 62 33.209 -15.409 -2.642 1.00 1.31 C ATOM 0 H ALA A 62 34.328 -14.927 -0.459 1.00 1.18 H new ATOM 0 HA ALA A 62 33.201 -13.262 -2.532 1.00 1.22 H new ATOM 0 HB1 ALA A 62 32.495 -15.461 -3.464 1.00 1.31 H new ATOM 0 HB2 ALA A 62 34.223 -15.443 -3.040 1.00 1.31 H new ATOM 0 HB3 ALA A 62 33.053 -16.255 -1.972 1.00 1.31 H new ATOM 875 N ILE A 63 31.323 -14.336 -0.139 1.00 0.82 N ATOM 876 CA ILE A 63 29.986 -14.279 0.431 1.00 0.73 C ATOM 877 C ILE A 63 29.589 -12.825 0.634 1.00 0.73 C ATOM 878 O ILE A 63 28.516 -12.392 0.209 1.00 0.73 O ATOM 879 CB ILE A 63 29.917 -15.053 1.772 1.00 0.79 C ATOM 880 CG1 ILE A 63 30.437 -16.496 1.585 1.00 1.08 C ATOM 881 CG2 ILE A 63 28.503 -15.040 2.337 1.00 0.96 C ATOM 882 CD1 ILE A 63 29.371 -17.575 1.599 1.00 0.67 C ATOM 0 H ILE A 63 32.044 -14.649 0.511 1.00 0.82 H new ATOM 0 HA ILE A 63 29.288 -14.754 -0.259 1.00 0.73 H new ATOM 0 HB ILE A 63 30.561 -14.552 2.495 1.00 0.79 H new ATOM 0 HG12 ILE A 63 30.974 -16.551 0.638 1.00 1.08 H new ATOM 0 HG13 ILE A 63 31.158 -16.710 2.374 1.00 1.08 H new ATOM 0 HG21 ILE A 63 28.482 -15.590 3.278 1.00 0.96 H new ATOM 0 HG22 ILE A 63 28.190 -14.010 2.511 1.00 0.96 H new ATOM 0 HG23 ILE A 63 27.823 -15.510 1.627 1.00 0.96 H new ATOM 0 HD11 ILE A 63 29.838 -18.550 1.460 1.00 0.67 H new ATOM 0 HD12 ILE A 63 28.847 -17.556 2.555 1.00 0.67 H new ATOM 0 HD13 ILE A 63 28.661 -17.395 0.792 1.00 0.67 H new ATOM 894 N GLN A 64 30.493 -12.062 1.234 1.00 0.83 N ATOM 895 CA GLN A 64 30.273 -10.643 1.447 1.00 0.95 C ATOM 896 C GLN A 64 30.156 -9.957 0.095 1.00 0.95 C ATOM 897 O GLN A 64 29.284 -9.121 -0.113 1.00 0.92 O ATOM 898 CB GLN A 64 31.421 -10.033 2.259 1.00 1.17 C ATOM 899 CG GLN A 64 31.051 -8.741 2.972 1.00 1.62 C ATOM 900 CD GLN A 64 29.810 -8.879 3.834 1.00 2.58 C ATOM 901 OE1 GLN A 64 28.891 -8.064 3.757 1.00 3.24 O ATOM 902 NE2 GLN A 64 29.777 -9.917 4.661 1.00 3.27 N ATOM 0 H GLN A 64 31.388 -12.406 1.582 1.00 0.83 H new ATOM 0 HA GLN A 64 29.352 -10.499 2.013 1.00 0.95 H new ATOM 0 HB2 GLN A 64 31.758 -10.761 2.997 1.00 1.17 H new ATOM 0 HB3 GLN A 64 32.263 -9.841 1.593 1.00 1.17 H new ATOM 0 HG2 GLN A 64 31.887 -8.423 3.595 1.00 1.62 H new ATOM 0 HG3 GLN A 64 30.889 -7.957 2.232 1.00 1.62 H new ATOM 0 HE21 GLN A 64 30.561 -10.569 4.693 1.00 3.27 H new ATOM 0 HE22 GLN A 64 28.968 -10.063 5.264 1.00 3.27 H new ATOM 911 N GLY A 65 31.034 -10.344 -0.831 1.00 1.05 N ATOM 912 CA GLY A 65 31.007 -9.784 -2.167 1.00 1.14 C ATOM 913 C GLY A 65 29.602 -9.726 -2.734 1.00 0.94 C ATOM 914 O GLY A 65 29.176 -8.685 -3.234 1.00 0.94 O ATOM 0 H GLY A 65 31.765 -11.038 -0.675 1.00 1.05 H new ATOM 0 HA2 GLY A 65 31.431 -8.780 -2.147 1.00 1.14 H new ATOM 0 HA3 GLY A 65 31.638 -10.383 -2.823 1.00 1.14 H new ATOM 918 N VAL A 66 28.866 -10.838 -2.651 1.00 0.83 N ATOM 919 CA VAL A 66 27.499 -10.866 -3.165 1.00 0.72 C ATOM 920 C VAL A 66 26.672 -9.762 -2.515 1.00 0.59 C ATOM 921 O VAL A 66 26.051 -8.956 -3.205 1.00 0.56 O ATOM 922 CB VAL A 66 26.822 -12.249 -2.961 1.00 0.77 C ATOM 923 CG1 VAL A 66 25.760 -12.214 -1.865 1.00 1.22 C ATOM 924 CG2 VAL A 66 26.219 -12.734 -4.271 1.00 1.46 C ATOM 0 H VAL A 66 29.188 -11.714 -2.240 1.00 0.83 H new ATOM 0 HA VAL A 66 27.549 -10.692 -4.240 1.00 0.72 H new ATOM 0 HB VAL A 66 27.594 -12.948 -2.638 1.00 0.77 H new ATOM 0 HG11 VAL A 66 25.314 -13.203 -1.758 1.00 1.22 H new ATOM 0 HG12 VAL A 66 26.220 -11.920 -0.922 1.00 1.22 H new ATOM 0 HG13 VAL A 66 24.986 -11.494 -2.131 1.00 1.22 H new ATOM 0 HG21 VAL A 66 25.747 -13.704 -4.117 1.00 1.46 H new ATOM 0 HG22 VAL A 66 25.473 -12.018 -4.615 1.00 1.46 H new ATOM 0 HG23 VAL A 66 27.005 -12.828 -5.021 1.00 1.46 H new ATOM 934 N LEU A 67 26.693 -9.711 -1.186 1.00 0.58 N ATOM 935 CA LEU A 67 25.963 -8.680 -0.455 1.00 0.62 C ATOM 936 C LEU A 67 26.393 -7.297 -0.941 1.00 0.69 C ATOM 937 O LEU A 67 25.561 -6.466 -1.302 1.00 0.71 O ATOM 938 CB LEU A 67 26.204 -8.820 1.055 1.00 0.74 C ATOM 939 CG LEU A 67 25.546 -7.747 1.933 1.00 1.29 C ATOM 940 CD1 LEU A 67 26.364 -6.461 1.923 1.00 1.90 C ATOM 941 CD2 LEU A 67 24.114 -7.482 1.484 1.00 2.13 C ATOM 0 H LEU A 67 27.204 -10.367 -0.596 1.00 0.58 H new ATOM 0 HA LEU A 67 24.896 -8.802 -0.642 1.00 0.62 H new ATOM 0 HB2 LEU A 67 25.842 -9.797 1.374 1.00 0.74 H new ATOM 0 HB3 LEU A 67 27.279 -8.804 1.236 1.00 0.74 H new ATOM 0 HG LEU A 67 25.516 -8.120 2.957 1.00 1.29 H new ATOM 0 HD11 LEU A 67 25.878 -5.716 2.552 1.00 1.90 H new ATOM 0 HD12 LEU A 67 27.364 -6.663 2.307 1.00 1.90 H new ATOM 0 HD13 LEU A 67 26.436 -6.084 0.903 1.00 1.90 H new ATOM 0 HD21 LEU A 67 23.668 -6.718 2.121 1.00 2.13 H new ATOM 0 HD22 LEU A 67 24.115 -7.137 0.450 1.00 2.13 H new ATOM 0 HD23 LEU A 67 23.533 -8.401 1.559 1.00 2.13 H new ATOM 953 N ASP A 68 27.705 -7.070 -0.963 1.00 0.79 N ATOM 954 CA ASP A 68 28.268 -5.803 -1.418 1.00 0.94 C ATOM 955 C ASP A 68 27.659 -5.399 -2.760 1.00 0.86 C ATOM 956 O ASP A 68 27.159 -4.285 -2.912 1.00 0.91 O ATOM 957 CB ASP A 68 29.797 -5.910 -1.526 1.00 1.12 C ATOM 958 CG ASP A 68 30.341 -5.358 -2.832 1.00 1.55 C ATOM 959 OD1 ASP A 68 30.525 -4.127 -2.925 1.00 2.04 O ATOM 960 OD2 ASP A 68 30.575 -6.157 -3.763 1.00 2.24 O ATOM 0 H ASP A 68 28.402 -7.754 -0.668 1.00 0.79 H new ATOM 0 HA ASP A 68 28.026 -5.031 -0.688 1.00 0.94 H new ATOM 0 HB2 ASP A 68 30.253 -5.374 -0.694 1.00 1.12 H new ATOM 0 HB3 ASP A 68 30.090 -6.955 -1.430 1.00 1.12 H new ATOM 965 N THR A 69 27.694 -6.314 -3.730 1.00 0.80 N ATOM 966 CA THR A 69 27.127 -6.042 -5.045 1.00 0.80 C ATOM 967 C THR A 69 25.637 -5.745 -4.908 1.00 0.67 C ATOM 968 O THR A 69 25.146 -4.743 -5.425 1.00 0.73 O ATOM 969 CB THR A 69 27.374 -7.220 -5.993 1.00 0.86 C ATOM 970 OG1 THR A 69 28.724 -7.230 -6.425 1.00 1.02 O ATOM 971 CG2 THR A 69 26.502 -7.199 -7.233 1.00 0.94 C ATOM 0 H THR A 69 28.106 -7.241 -3.628 1.00 0.80 H new ATOM 0 HA THR A 69 27.617 -5.168 -5.474 1.00 0.80 H new ATOM 0 HB THR A 69 27.126 -8.110 -5.415 1.00 0.86 H new ATOM 0 HG1 THR A 69 28.869 -7.988 -7.029 1.00 1.02 H new ATOM 0 HG21 THR A 69 26.734 -8.063 -7.855 1.00 0.94 H new ATOM 0 HG22 THR A 69 25.453 -7.233 -6.940 1.00 0.94 H new ATOM 0 HG23 THR A 69 26.692 -6.285 -7.796 1.00 0.94 H new ATOM 979 N GLY A 70 24.924 -6.610 -4.183 1.00 0.57 N ATOM 980 CA GLY A 70 23.506 -6.398 -3.967 1.00 0.59 C ATOM 981 C GLY A 70 23.236 -4.982 -3.496 1.00 0.69 C ATOM 982 O GLY A 70 22.268 -4.352 -3.916 1.00 0.79 O ATOM 0 H GLY A 70 25.305 -7.449 -3.745 1.00 0.57 H new ATOM 0 HA2 GLY A 70 22.961 -6.588 -4.892 1.00 0.59 H new ATOM 0 HA3 GLY A 70 23.137 -7.108 -3.227 1.00 0.59 H new ATOM 986 N LYS A 71 24.116 -4.473 -2.631 1.00 0.76 N ATOM 987 CA LYS A 71 23.989 -3.114 -2.122 1.00 0.94 C ATOM 988 C LYS A 71 24.103 -2.127 -3.277 1.00 0.99 C ATOM 989 O LYS A 71 23.313 -1.187 -3.389 1.00 1.12 O ATOM 990 CB LYS A 71 25.067 -2.824 -1.071 1.00 1.05 C ATOM 991 CG LYS A 71 24.610 -1.876 0.031 1.00 1.35 C ATOM 992 CD LYS A 71 24.152 -0.538 -0.535 1.00 1.91 C ATOM 993 CE LYS A 71 23.975 0.504 0.559 1.00 2.53 C ATOM 994 NZ LYS A 71 23.391 1.768 0.030 1.00 3.25 N ATOM 0 H LYS A 71 24.922 -4.984 -2.271 1.00 0.76 H new ATOM 0 HA LYS A 71 23.014 -3.006 -1.646 1.00 0.94 H new ATOM 0 HB2 LYS A 71 25.385 -3.764 -0.620 1.00 1.05 H new ATOM 0 HB3 LYS A 71 25.939 -2.397 -1.566 1.00 1.05 H new ATOM 0 HG2 LYS A 71 23.794 -2.334 0.590 1.00 1.35 H new ATOM 0 HG3 LYS A 71 25.427 -1.714 0.734 1.00 1.35 H new ATOM 0 HD2 LYS A 71 24.881 -0.182 -1.263 1.00 1.91 H new ATOM 0 HD3 LYS A 71 23.210 -0.671 -1.067 1.00 1.91 H new ATOM 0 HE2 LYS A 71 23.329 0.104 1.341 1.00 2.53 H new ATOM 0 HE3 LYS A 71 24.940 0.715 1.020 1.00 2.53 H new ATOM 0 HZ1 LYS A 71 23.892 2.581 0.442 1.00 3.25 H new ATOM 0 HZ2 LYS A 71 23.489 1.789 -1.005 1.00 3.25 H new ATOM 0 HZ3 LYS A 71 22.384 1.818 0.284 1.00 3.25 H new ATOM 1008 N LYS A 72 25.077 -2.367 -4.154 1.00 0.95 N ATOM 1009 CA LYS A 72 25.275 -1.519 -5.324 1.00 1.08 C ATOM 1010 C LYS A 72 24.006 -1.533 -6.165 1.00 1.06 C ATOM 1011 O LYS A 72 23.583 -0.515 -6.714 1.00 1.26 O ATOM 1012 CB LYS A 72 26.470 -2.008 -6.150 1.00 1.14 C ATOM 1013 CG LYS A 72 27.763 -2.112 -5.352 1.00 1.49 C ATOM 1014 CD LYS A 72 28.990 -2.114 -6.256 1.00 2.07 C ATOM 1015 CE LYS A 72 29.334 -3.516 -6.740 1.00 2.89 C ATOM 1016 NZ LYS A 72 29.900 -4.362 -5.653 1.00 3.71 N ATOM 0 H LYS A 72 25.738 -3.140 -4.075 1.00 0.95 H new ATOM 0 HA LYS A 72 25.487 -0.500 -5.000 1.00 1.08 H new ATOM 0 HB2 LYS A 72 26.234 -2.985 -6.572 1.00 1.14 H new ATOM 0 HB3 LYS A 72 26.624 -1.328 -6.988 1.00 1.14 H new ATOM 0 HG2 LYS A 72 27.827 -1.277 -4.654 1.00 1.49 H new ATOM 0 HG3 LYS A 72 27.750 -3.025 -4.756 1.00 1.49 H new ATOM 0 HD2 LYS A 72 28.810 -1.467 -7.115 1.00 2.07 H new ATOM 0 HD3 LYS A 72 29.840 -1.697 -5.716 1.00 2.07 H new ATOM 0 HE2 LYS A 72 28.438 -3.991 -7.139 1.00 2.89 H new ATOM 0 HE3 LYS A 72 30.051 -3.451 -7.558 1.00 2.89 H new ATOM 0 HZ1 LYS A 72 29.493 -5.317 -5.709 1.00 3.71 H new ATOM 0 HZ2 LYS A 72 30.933 -4.419 -5.760 1.00 3.71 H new ATOM 0 HZ3 LYS A 72 29.670 -3.941 -4.730 1.00 3.71 H new ATOM 1030 N LEU A 73 23.396 -2.710 -6.226 1.00 0.89 N ATOM 1031 CA LEU A 73 22.154 -2.919 -6.952 1.00 0.98 C ATOM 1032 C LEU A 73 21.035 -2.091 -6.321 1.00 1.14 C ATOM 1033 O LEU A 73 20.230 -1.474 -7.014 1.00 1.32 O ATOM 1034 CB LEU A 73 21.794 -4.409 -6.900 1.00 0.97 C ATOM 1035 CG LEU A 73 20.996 -4.956 -8.085 1.00 0.92 C ATOM 1036 CD1 LEU A 73 21.004 -6.481 -8.060 1.00 0.96 C ATOM 1037 CD2 LEU A 73 19.569 -4.422 -8.063 1.00 1.52 C ATOM 0 H LEU A 73 23.753 -3.550 -5.770 1.00 0.89 H new ATOM 0 HA LEU A 73 22.277 -2.606 -7.989 1.00 0.98 H new ATOM 0 HB2 LEU A 73 22.718 -4.981 -6.817 1.00 0.97 H new ATOM 0 HB3 LEU A 73 21.223 -4.591 -5.990 1.00 0.97 H new ATOM 0 HG LEU A 73 21.466 -4.621 -9.010 1.00 0.92 H new ATOM 0 HD11 LEU A 73 20.434 -6.862 -8.907 1.00 0.96 H new ATOM 0 HD12 LEU A 73 22.031 -6.841 -8.123 1.00 0.96 H new ATOM 0 HD13 LEU A 73 20.553 -6.832 -7.132 1.00 0.96 H new ATOM 0 HD21 LEU A 73 19.018 -4.822 -8.914 1.00 1.52 H new ATOM 0 HD22 LEU A 73 19.081 -4.727 -7.138 1.00 1.52 H new ATOM 0 HD23 LEU A 73 19.587 -3.334 -8.122 1.00 1.52 H new ATOM 1049 N SER A 74 20.998 -2.098 -4.990 1.00 1.13 N ATOM 1050 CA SER A 74 19.987 -1.368 -4.228 1.00 1.36 C ATOM 1051 C SER A 74 20.101 0.144 -4.423 1.00 1.52 C ATOM 1052 O SER A 74 19.086 0.840 -4.484 1.00 1.76 O ATOM 1053 CB SER A 74 20.112 -1.710 -2.738 1.00 1.37 C ATOM 1054 OG SER A 74 19.441 -0.757 -1.929 1.00 1.67 O ATOM 0 H SER A 74 21.665 -2.608 -4.411 1.00 1.13 H new ATOM 0 HA SER A 74 19.010 -1.675 -4.600 1.00 1.36 H new ATOM 0 HB2 SER A 74 19.697 -2.701 -2.555 1.00 1.37 H new ATOM 0 HB3 SER A 74 21.165 -1.749 -2.459 1.00 1.37 H new ATOM 0 HG SER A 74 19.537 -1.003 -0.985 1.00 1.67 H new ATOM 1060 N ASP A 75 21.333 0.651 -4.489 1.00 1.47 N ATOM 1061 CA ASP A 75 21.573 2.087 -4.648 1.00 1.71 C ATOM 1062 C ASP A 75 20.572 2.720 -5.612 1.00 1.86 C ATOM 1063 O ASP A 75 19.808 3.606 -5.227 1.00 2.14 O ATOM 1064 CB ASP A 75 23.000 2.340 -5.145 1.00 1.72 C ATOM 1065 CG ASP A 75 24.061 1.939 -4.134 1.00 1.79 C ATOM 1066 OD1 ASP A 75 23.728 1.797 -2.937 1.00 2.15 O ATOM 1067 OD2 ASP A 75 25.229 1.772 -4.540 1.00 2.34 O ATOM 0 H ASP A 75 22.182 0.088 -4.435 1.00 1.47 H new ATOM 0 HA ASP A 75 21.444 2.550 -3.670 1.00 1.71 H new ATOM 0 HB2 ASP A 75 23.160 1.786 -6.070 1.00 1.72 H new ATOM 0 HB3 ASP A 75 23.114 3.398 -5.383 1.00 1.72 H new ATOM 1072 N ASP A 76 20.570 2.256 -6.858 1.00 1.77 N ATOM 1073 CA ASP A 76 19.647 2.782 -7.862 1.00 2.01 C ATOM 1074 C ASP A 76 18.270 2.141 -7.715 1.00 1.98 C ATOM 1075 O ASP A 76 17.245 2.802 -7.888 1.00 2.28 O ATOM 1076 CB ASP A 76 20.179 2.573 -9.289 1.00 2.20 C ATOM 1077 CG ASP A 76 21.081 1.360 -9.446 1.00 2.36 C ATOM 1078 OD1 ASP A 76 20.954 0.405 -8.655 1.00 2.89 O ATOM 1079 OD2 ASP A 76 21.912 1.362 -10.375 1.00 2.64 O ATOM 0 H ASP A 76 21.192 1.522 -7.197 1.00 1.77 H new ATOM 0 HA ASP A 76 19.559 3.855 -7.692 1.00 2.01 H new ATOM 0 HB2 ASP A 76 19.333 2.473 -9.969 1.00 2.20 H new ATOM 0 HB3 ASP A 76 20.730 3.463 -9.594 1.00 2.20 H new ATOM 1084 N ASN A 77 18.254 0.851 -7.380 1.00 1.87 N ATOM 1085 CA ASN A 77 17.001 0.124 -7.196 1.00 2.13 C ATOM 1086 C ASN A 77 16.381 0.475 -5.847 1.00 1.92 C ATOM 1087 O ASN A 77 16.322 -0.353 -4.940 1.00 2.30 O ATOM 1088 CB ASN A 77 17.228 -1.390 -7.294 1.00 3.00 C ATOM 1089 CG ASN A 77 17.656 -1.833 -8.682 1.00 3.68 C ATOM 1090 OD1 ASN A 77 18.588 -1.102 -9.280 1.00 3.93 O flip ATOM 1091 ND2 ASN A 77 17.160 -2.830 -9.207 1.00 4.42 N flip ATOM 0 H ASN A 77 19.093 0.290 -7.231 1.00 1.87 H new ATOM 0 HA ASN A 77 16.315 0.420 -7.990 1.00 2.13 H new ATOM 0 HB2 ASN A 77 17.989 -1.686 -6.572 1.00 3.00 H new ATOM 0 HB3 ASN A 77 16.310 -1.909 -7.019 1.00 3.00 H new ATOM 0 HD21 ASN A 77 16.446 -3.365 -8.713 1.00 4.42 H new ATOM 0 HD22 ASN A 77 17.464 -3.121 -10.136 1.00 4.42 H new ATOM 1098 N THR A 78 15.929 1.718 -5.724 1.00 2.42 N ATOM 1099 CA THR A 78 15.317 2.199 -4.493 1.00 3.13 C ATOM 1100 C THR A 78 14.107 1.350 -4.115 1.00 3.07 C ATOM 1101 O THR A 78 14.164 0.554 -3.178 1.00 3.33 O ATOM 1102 CB THR A 78 14.904 3.663 -4.658 1.00 4.02 C ATOM 1103 OG1 THR A 78 14.408 3.896 -5.965 1.00 4.29 O ATOM 1104 CG2 THR A 78 16.038 4.638 -4.418 1.00 4.87 C ATOM 0 H THR A 78 15.976 2.414 -6.468 1.00 2.42 H new ATOM 0 HA THR A 78 16.049 2.119 -3.690 1.00 3.13 H new ATOM 0 HB THR A 78 14.136 3.834 -3.904 1.00 4.02 H new ATOM 0 HG1 THR A 78 14.147 4.836 -6.053 1.00 4.29 H new ATOM 0 HG21 THR A 78 15.676 5.657 -4.551 1.00 4.87 H new ATOM 0 HG22 THR A 78 16.413 4.516 -3.402 1.00 4.87 H new ATOM 0 HG23 THR A 78 16.842 4.443 -5.128 1.00 4.87 H new ATOM 1112 N ILE A 79 13.014 1.534 -4.849 1.00 3.06 N ATOM 1113 CA ILE A 79 11.781 0.793 -4.598 1.00 3.21 C ATOM 1114 C ILE A 79 11.691 -0.445 -5.487 1.00 2.90 C ATOM 1115 O ILE A 79 11.675 -0.341 -6.713 1.00 3.08 O ATOM 1116 CB ILE A 79 10.536 1.676 -4.831 1.00 3.81 C ATOM 1117 CG1 ILE A 79 10.724 2.564 -6.065 1.00 4.11 C ATOM 1118 CG2 ILE A 79 10.253 2.526 -3.599 1.00 4.49 C ATOM 1119 CD1 ILE A 79 9.466 3.297 -6.486 1.00 4.56 C ATOM 0 H ILE A 79 12.957 2.193 -5.626 1.00 3.06 H new ATOM 0 HA ILE A 79 11.805 0.483 -3.553 1.00 3.21 H new ATOM 0 HB ILE A 79 9.680 1.025 -5.008 1.00 3.81 H new ATOM 0 HG12 ILE A 79 11.508 3.294 -5.861 1.00 4.11 H new ATOM 0 HG13 ILE A 79 11.070 1.948 -6.895 1.00 4.11 H new ATOM 0 HG21 ILE A 79 9.373 3.144 -3.777 1.00 4.49 H new ATOM 0 HG22 ILE A 79 10.073 1.876 -2.742 1.00 4.49 H new ATOM 0 HG23 ILE A 79 11.110 3.167 -3.394 1.00 4.49 H new ATOM 0 HD11 ILE A 79 9.676 3.905 -7.366 1.00 4.56 H new ATOM 0 HD12 ILE A 79 8.686 2.574 -6.723 1.00 4.56 H new ATOM 0 HD13 ILE A 79 9.130 3.940 -5.672 1.00 4.56 H new ATOM 1131 N GLY A 80 11.638 -1.615 -4.854 1.00 2.87 N ATOM 1132 CA GLY A 80 11.554 -2.865 -5.591 1.00 2.77 C ATOM 1133 C GLY A 80 12.600 -3.861 -5.133 1.00 2.49 C ATOM 1134 O GLY A 80 12.362 -5.071 -5.138 1.00 2.38 O ATOM 0 H GLY A 80 11.652 -1.719 -3.839 1.00 2.87 H new ATOM 0 HA2 GLY A 80 10.561 -3.296 -5.463 1.00 2.77 H new ATOM 0 HA3 GLY A 80 11.681 -2.668 -6.656 1.00 2.77 H new ATOM 1138 N LYS A 81 13.756 -3.341 -4.729 1.00 2.47 N ATOM 1139 CA LYS A 81 14.865 -4.171 -4.256 1.00 2.30 C ATOM 1140 C LYS A 81 14.436 -5.118 -3.134 1.00 2.13 C ATOM 1141 O LYS A 81 15.104 -6.116 -2.879 1.00 1.92 O ATOM 1142 CB LYS A 81 16.006 -3.282 -3.761 1.00 2.45 C ATOM 1143 CG LYS A 81 15.613 -2.404 -2.582 1.00 2.98 C ATOM 1144 CD LYS A 81 16.791 -1.606 -2.048 1.00 3.54 C ATOM 1145 CE LYS A 81 16.451 -0.913 -0.736 1.00 4.27 C ATOM 1146 NZ LYS A 81 14.999 -0.592 -0.631 1.00 4.40 N ATOM 0 H LYS A 81 13.952 -2.340 -4.719 1.00 2.47 H new ATOM 0 HA LYS A 81 15.199 -4.778 -5.097 1.00 2.30 H new ATOM 0 HB2 LYS A 81 16.849 -3.910 -3.473 1.00 2.45 H new ATOM 0 HB3 LYS A 81 16.346 -2.648 -4.580 1.00 2.45 H new ATOM 0 HG2 LYS A 81 14.821 -1.720 -2.887 1.00 2.98 H new ATOM 0 HG3 LYS A 81 15.207 -3.027 -1.786 1.00 2.98 H new ATOM 0 HD2 LYS A 81 17.643 -2.269 -1.899 1.00 3.54 H new ATOM 0 HD3 LYS A 81 17.091 -0.862 -2.786 1.00 3.54 H new ATOM 0 HE2 LYS A 81 16.742 -1.553 0.097 1.00 4.27 H new ATOM 0 HE3 LYS A 81 17.032 0.005 -0.650 1.00 4.27 H new ATOM 0 HZ1 LYS A 81 14.836 0.010 0.201 1.00 4.40 H new ATOM 0 HZ2 LYS A 81 14.692 -0.089 -1.488 1.00 4.40 H new ATOM 0 HZ3 LYS A 81 14.455 -1.473 -0.533 1.00 4.40 H new ATOM 1160 N GLU A 82 13.337 -4.794 -2.454 1.00 2.24 N ATOM 1161 CA GLU A 82 12.839 -5.616 -1.354 1.00 2.14 C ATOM 1162 C GLU A 82 12.973 -7.104 -1.670 1.00 1.94 C ATOM 1163 O GLU A 82 13.424 -7.885 -0.834 1.00 1.76 O ATOM 1164 CB GLU A 82 11.376 -5.276 -1.048 1.00 2.37 C ATOM 1165 CG GLU A 82 10.987 -3.842 -1.380 1.00 2.74 C ATOM 1166 CD GLU A 82 11.874 -2.815 -0.697 1.00 2.68 C ATOM 1167 OE1 GLU A 82 11.552 -2.414 0.440 1.00 3.00 O ATOM 1168 OE2 GLU A 82 12.893 -2.416 -1.297 1.00 2.89 O ATOM 0 H GLU A 82 12.774 -3.966 -2.647 1.00 2.24 H new ATOM 0 HA GLU A 82 13.446 -5.397 -0.476 1.00 2.14 H new ATOM 0 HB2 GLU A 82 10.732 -5.954 -1.608 1.00 2.37 H new ATOM 0 HB3 GLU A 82 11.186 -5.457 0.010 1.00 2.37 H new ATOM 0 HG2 GLU A 82 11.038 -3.698 -2.459 1.00 2.74 H new ATOM 0 HG3 GLU A 82 9.951 -3.674 -1.084 1.00 2.74 H new ATOM 1175 N GLU A 83 12.594 -7.486 -2.887 1.00 2.03 N ATOM 1176 CA GLU A 83 12.684 -8.881 -3.310 1.00 1.94 C ATOM 1177 C GLU A 83 14.122 -9.382 -3.189 1.00 1.73 C ATOM 1178 O GLU A 83 14.381 -10.410 -2.559 1.00 1.57 O ATOM 1179 CB GLU A 83 12.177 -9.035 -4.751 1.00 2.17 C ATOM 1180 CG GLU A 83 12.817 -10.185 -5.523 1.00 2.39 C ATOM 1181 CD GLU A 83 12.787 -11.505 -4.768 1.00 2.51 C ATOM 1182 OE1 GLU A 83 11.829 -11.733 -3.999 1.00 2.93 O ATOM 1183 OE2 GLU A 83 13.724 -12.310 -4.948 1.00 2.94 O ATOM 0 H GLU A 83 12.223 -6.852 -3.595 1.00 2.03 H new ATOM 0 HA GLU A 83 12.054 -9.485 -2.657 1.00 1.94 H new ATOM 0 HB2 GLU A 83 11.097 -9.184 -4.730 1.00 2.17 H new ATOM 0 HB3 GLU A 83 12.360 -8.105 -5.289 1.00 2.17 H new ATOM 0 HG2 GLU A 83 12.300 -10.307 -6.475 1.00 2.39 H new ATOM 0 HG3 GLU A 83 13.851 -9.929 -5.752 1.00 2.39 H new ATOM 1190 N ILE A 84 15.053 -8.648 -3.789 1.00 1.75 N ATOM 1191 CA ILE A 84 16.462 -9.012 -3.740 1.00 1.60 C ATOM 1192 C ILE A 84 16.925 -9.125 -2.295 1.00 1.38 C ATOM 1193 O ILE A 84 17.600 -10.081 -1.921 1.00 1.22 O ATOM 1194 CB ILE A 84 17.341 -7.979 -4.478 1.00 1.73 C ATOM 1195 CG1 ILE A 84 16.917 -7.873 -5.947 1.00 2.03 C ATOM 1196 CG2 ILE A 84 18.815 -8.352 -4.369 1.00 1.57 C ATOM 1197 CD1 ILE A 84 17.465 -6.651 -6.650 1.00 2.47 C ATOM 0 H ILE A 84 14.856 -7.797 -4.315 1.00 1.75 H new ATOM 0 HA ILE A 84 16.569 -9.975 -4.239 1.00 1.60 H new ATOM 0 HB ILE A 84 17.202 -7.006 -4.007 1.00 1.73 H new ATOM 0 HG12 ILE A 84 17.248 -8.766 -6.477 1.00 2.03 H new ATOM 0 HG13 ILE A 84 15.829 -7.855 -6.002 1.00 2.03 H new ATOM 0 HG21 ILE A 84 19.418 -7.612 -4.895 1.00 1.57 H new ATOM 0 HG22 ILE A 84 19.107 -8.378 -3.319 1.00 1.57 H new ATOM 0 HG23 ILE A 84 18.976 -9.334 -4.814 1.00 1.57 H new ATOM 0 HD11 ILE A 84 17.124 -6.643 -7.685 1.00 2.47 H new ATOM 0 HD12 ILE A 84 17.113 -5.752 -6.145 1.00 2.47 H new ATOM 0 HD13 ILE A 84 18.554 -6.676 -6.628 1.00 2.47 H new ATOM 1209 N GLN A 85 16.545 -8.142 -1.485 1.00 1.45 N ATOM 1210 CA GLN A 85 16.907 -8.126 -0.074 1.00 1.35 C ATOM 1211 C GLN A 85 16.462 -9.418 0.596 1.00 1.19 C ATOM 1212 O GLN A 85 17.236 -10.056 1.305 1.00 1.05 O ATOM 1213 CB GLN A 85 16.276 -6.920 0.631 1.00 1.56 C ATOM 1214 CG GLN A 85 17.275 -5.834 1.001 1.00 1.77 C ATOM 1215 CD GLN A 85 18.002 -5.263 -0.202 1.00 2.36 C ATOM 1216 OE1 GLN A 85 17.328 -5.233 -1.345 1.00 2.80 O flip ATOM 1217 NE2 GLN A 85 19.158 -4.852 -0.105 1.00 3.13 N flip ATOM 0 H GLN A 85 15.985 -7.344 -1.784 1.00 1.45 H new ATOM 0 HA GLN A 85 17.991 -8.043 0.004 1.00 1.35 H new ATOM 0 HB2 GLN A 85 15.511 -6.492 -0.017 1.00 1.56 H new ATOM 0 HB3 GLN A 85 15.773 -7.262 1.536 1.00 1.56 H new ATOM 0 HG2 GLN A 85 16.753 -5.029 1.519 1.00 1.77 H new ATOM 0 HG3 GLN A 85 18.005 -6.242 1.700 1.00 1.77 H new ATOM 0 HE21 GLN A 85 19.640 -4.893 0.793 1.00 3.13 H new ATOM 0 HE22 GLN A 85 19.634 -4.470 -0.922 1.00 3.13 H new ATOM 1226 N GLN A 86 15.216 -9.806 0.350 1.00 1.26 N ATOM 1227 CA GLN A 86 14.676 -11.036 0.913 1.00 1.18 C ATOM 1228 C GLN A 86 15.529 -12.227 0.484 1.00 1.03 C ATOM 1229 O GLN A 86 15.941 -13.040 1.312 1.00 0.90 O ATOM 1230 CB GLN A 86 13.222 -11.232 0.463 1.00 1.37 C ATOM 1231 CG GLN A 86 12.602 -12.546 0.924 1.00 1.47 C ATOM 1232 CD GLN A 86 13.008 -13.741 0.074 1.00 2.31 C ATOM 1233 OE1 GLN A 86 13.014 -14.877 0.548 1.00 2.90 O ATOM 1234 NE2 GLN A 86 13.348 -13.496 -1.187 1.00 3.09 N ATOM 0 H GLN A 86 14.562 -9.286 -0.235 1.00 1.26 H new ATOM 0 HA GLN A 86 14.696 -10.964 2.000 1.00 1.18 H new ATOM 0 HB2 GLN A 86 12.621 -10.406 0.842 1.00 1.37 H new ATOM 0 HB3 GLN A 86 13.180 -11.184 -0.625 1.00 1.37 H new ATOM 0 HG2 GLN A 86 12.891 -12.731 1.959 1.00 1.47 H new ATOM 0 HG3 GLN A 86 11.516 -12.451 0.908 1.00 1.47 H new ATOM 0 HE21 GLN A 86 13.330 -12.540 -1.543 1.00 3.09 H new ATOM 0 HE22 GLN A 86 13.626 -14.263 -1.798 1.00 3.09 H new ATOM 1243 N ARG A 87 15.793 -12.312 -0.816 1.00 1.11 N ATOM 1244 CA ARG A 87 16.601 -13.393 -1.373 1.00 1.09 C ATOM 1245 C ARG A 87 17.981 -13.439 -0.720 1.00 0.91 C ATOM 1246 O ARG A 87 18.426 -14.491 -0.258 1.00 0.87 O ATOM 1247 CB ARG A 87 16.742 -13.212 -2.887 1.00 1.29 C ATOM 1248 CG ARG A 87 17.464 -14.359 -3.580 1.00 1.78 C ATOM 1249 CD ARG A 87 17.202 -14.361 -5.080 1.00 2.22 C ATOM 1250 NE ARG A 87 15.771 -14.331 -5.383 1.00 2.81 N ATOM 1251 CZ ARG A 87 15.072 -15.378 -5.815 1.00 3.73 C ATOM 1252 NH1 ARG A 87 15.682 -16.539 -6.004 1.00 4.21 N ATOM 1253 NH2 ARG A 87 13.771 -15.271 -6.058 1.00 4.43 N ATOM 0 H ARG A 87 15.457 -11.641 -1.507 1.00 1.11 H new ATOM 0 HA ARG A 87 16.097 -14.337 -1.168 1.00 1.09 H new ATOM 0 HB2 ARG A 87 15.749 -13.103 -3.324 1.00 1.29 H new ATOM 0 HB3 ARG A 87 17.280 -12.285 -3.084 1.00 1.29 H new ATOM 0 HG2 ARG A 87 18.536 -14.279 -3.397 1.00 1.78 H new ATOM 0 HG3 ARG A 87 17.138 -15.307 -3.152 1.00 1.78 H new ATOM 0 HD2 ARG A 87 17.688 -13.498 -5.535 1.00 2.22 H new ATOM 0 HD3 ARG A 87 17.649 -15.250 -5.526 1.00 2.22 H new ATOM 0 HE ARG A 87 15.276 -13.449 -5.255 1.00 2.81 H new ATOM 0 HH11 ARG A 87 16.681 -16.626 -5.819 1.00 4.21 H new ATOM 0 HH12 ARG A 87 15.152 -17.345 -6.335 1.00 4.21 H new ATOM 0 HH21 ARG A 87 13.297 -14.379 -5.914 1.00 4.43 H new ATOM 0 HH22 ARG A 87 13.246 -16.080 -6.389 1.00 4.43 H new ATOM 1267 N LEU A 88 18.658 -12.295 -0.690 1.00 0.87 N ATOM 1268 CA LEU A 88 19.985 -12.210 -0.095 1.00 0.78 C ATOM 1269 C LEU A 88 19.933 -12.575 1.383 1.00 0.71 C ATOM 1270 O LEU A 88 20.820 -13.256 1.896 1.00 0.67 O ATOM 1271 CB LEU A 88 20.562 -10.802 -0.270 1.00 0.86 C ATOM 1272 CG LEU A 88 21.991 -10.756 -0.821 1.00 1.04 C ATOM 1273 CD1 LEU A 88 22.283 -9.401 -1.450 1.00 1.90 C ATOM 1274 CD2 LEU A 88 22.996 -11.071 0.278 1.00 1.15 C ATOM 0 H LEU A 88 18.309 -11.415 -1.071 1.00 0.87 H new ATOM 0 HA LEU A 88 20.635 -12.920 -0.607 1.00 0.78 H new ATOM 0 HB2 LEU A 88 19.912 -10.239 -0.939 1.00 0.86 H new ATOM 0 HB3 LEU A 88 20.543 -10.295 0.695 1.00 0.86 H new ATOM 0 HG LEU A 88 22.085 -11.515 -1.598 1.00 1.04 H new ATOM 0 HD11 LEU A 88 23.303 -9.391 -1.835 1.00 1.90 H new ATOM 0 HD12 LEU A 88 21.585 -9.221 -2.268 1.00 1.90 H new ATOM 0 HD13 LEU A 88 22.171 -8.619 -0.699 1.00 1.90 H new ATOM 0 HD21 LEU A 88 24.006 -11.034 -0.131 1.00 1.15 H new ATOM 0 HD22 LEU A 88 22.902 -10.337 1.079 1.00 1.15 H new ATOM 0 HD23 LEU A 88 22.801 -12.068 0.674 1.00 1.15 H new ATOM 1286 N ALA A 89 18.880 -12.127 2.060 1.00 0.77 N ATOM 1287 CA ALA A 89 18.701 -12.412 3.477 1.00 0.81 C ATOM 1288 C ALA A 89 18.569 -13.910 3.705 1.00 0.74 C ATOM 1289 O ALA A 89 19.002 -14.437 4.730 1.00 0.77 O ATOM 1290 CB ALA A 89 17.477 -11.682 4.012 1.00 0.97 C ATOM 0 H ALA A 89 18.137 -11.564 1.647 1.00 0.77 H new ATOM 0 HA ALA A 89 19.579 -12.058 4.016 1.00 0.81 H new ATOM 0 HB1 ALA A 89 17.355 -11.904 5.072 1.00 0.97 H new ATOM 0 HB2 ALA A 89 17.607 -10.608 3.879 1.00 0.97 H new ATOM 0 HB3 ALA A 89 16.591 -12.010 3.469 1.00 0.97 H new ATOM 1296 N GLN A 90 17.976 -14.593 2.728 1.00 0.73 N ATOM 1297 CA GLN A 90 17.793 -16.036 2.804 1.00 0.79 C ATOM 1298 C GLN A 90 19.146 -16.730 2.776 1.00 0.73 C ATOM 1299 O GLN A 90 19.440 -17.583 3.614 1.00 0.79 O ATOM 1300 CB GLN A 90 16.923 -16.524 1.639 1.00 0.90 C ATOM 1301 CG GLN A 90 15.590 -17.110 2.072 1.00 1.35 C ATOM 1302 CD GLN A 90 15.020 -18.071 1.046 1.00 1.96 C ATOM 1303 OE1 GLN A 90 15.578 -19.142 0.808 1.00 2.38 O ATOM 1304 NE2 GLN A 90 13.912 -17.689 0.423 1.00 2.72 N ATOM 0 H GLN A 90 17.615 -14.167 1.874 1.00 0.73 H new ATOM 0 HA GLN A 90 17.288 -16.279 3.739 1.00 0.79 H new ATOM 0 HB2 GLN A 90 16.740 -15.691 0.961 1.00 0.90 H new ATOM 0 HB3 GLN A 90 17.475 -17.277 1.077 1.00 0.90 H new ATOM 0 HG2 GLN A 90 15.716 -17.630 3.022 1.00 1.35 H new ATOM 0 HG3 GLN A 90 14.879 -16.302 2.243 1.00 1.35 H new ATOM 0 HE21 GLN A 90 13.482 -16.793 0.651 1.00 2.72 H new ATOM 0 HE22 GLN A 90 13.491 -18.292 -0.284 1.00 2.72 H new ATOM 1313 N PHE A 91 19.971 -16.350 1.805 1.00 0.66 N ATOM 1314 CA PHE A 91 21.299 -16.930 1.672 1.00 0.67 C ATOM 1315 C PHE A 91 22.078 -16.736 2.966 1.00 0.67 C ATOM 1316 O PHE A 91 22.641 -17.682 3.512 1.00 0.74 O ATOM 1317 CB PHE A 91 22.057 -16.295 0.502 1.00 0.65 C ATOM 1318 CG PHE A 91 23.425 -16.880 0.296 1.00 0.66 C ATOM 1319 CD1 PHE A 91 24.492 -16.471 1.076 1.00 1.03 C ATOM 1320 CD2 PHE A 91 23.648 -17.830 -0.689 1.00 0.93 C ATOM 1321 CE1 PHE A 91 25.752 -16.998 0.880 1.00 1.19 C ATOM 1322 CE2 PHE A 91 24.905 -18.359 -0.887 1.00 0.92 C ATOM 1323 CZ PHE A 91 25.948 -17.979 -0.065 1.00 0.90 C ATOM 0 H PHE A 91 19.743 -15.646 1.103 1.00 0.66 H new ATOM 0 HA PHE A 91 21.193 -17.996 1.471 1.00 0.67 H new ATOM 0 HB2 PHE A 91 21.474 -16.420 -0.411 1.00 0.65 H new ATOM 0 HB3 PHE A 91 22.150 -15.223 0.677 1.00 0.65 H new ATOM 0 HD1 PHE A 91 24.337 -15.731 1.847 1.00 1.03 H new ATOM 0 HD2 PHE A 91 22.827 -18.159 -1.308 1.00 0.93 H new ATOM 0 HE1 PHE A 91 26.584 -16.641 1.468 1.00 1.19 H new ATOM 0 HE2 PHE A 91 25.074 -19.069 -1.683 1.00 0.92 H new ATOM 0 HZ PHE A 91 26.915 -18.450 -0.164 1.00 0.90 H new ATOM 1333 N VAL A 92 22.088 -15.503 3.464 1.00 0.64 N ATOM 1334 CA VAL A 92 22.786 -15.191 4.702 1.00 0.72 C ATOM 1335 C VAL A 92 22.352 -16.143 5.809 1.00 0.77 C ATOM 1336 O VAL A 92 23.189 -16.767 6.457 1.00 0.86 O ATOM 1337 CB VAL A 92 22.538 -13.735 5.148 1.00 0.77 C ATOM 1338 CG1 VAL A 92 23.257 -13.443 6.459 1.00 0.86 C ATOM 1339 CG2 VAL A 92 22.981 -12.761 4.064 1.00 1.37 C ATOM 0 H VAL A 92 21.621 -14.707 3.029 1.00 0.64 H new ATOM 0 HA VAL A 92 23.853 -15.311 4.512 1.00 0.72 H new ATOM 0 HB VAL A 92 21.468 -13.605 5.310 1.00 0.77 H new ATOM 0 HG11 VAL A 92 23.069 -12.411 6.755 1.00 0.86 H new ATOM 0 HG12 VAL A 92 22.889 -14.116 7.234 1.00 0.86 H new ATOM 0 HG13 VAL A 92 24.329 -13.593 6.328 1.00 0.86 H new ATOM 0 HG21 VAL A 92 22.798 -11.739 4.396 1.00 1.37 H new ATOM 0 HG22 VAL A 92 24.045 -12.894 3.868 1.00 1.37 H new ATOM 0 HG23 VAL A 92 22.417 -12.952 3.151 1.00 1.37 H new ATOM 1349 N ASP A 93 21.039 -16.278 6.005 1.00 0.77 N ATOM 1350 CA ASP A 93 20.519 -17.184 7.026 1.00 0.86 C ATOM 1351 C ASP A 93 21.117 -18.572 6.833 1.00 0.91 C ATOM 1352 O ASP A 93 21.707 -19.140 7.749 1.00 1.00 O ATOM 1353 CB ASP A 93 18.988 -17.253 6.979 1.00 0.90 C ATOM 1354 CG ASP A 93 18.446 -18.512 7.636 1.00 1.10 C ATOM 1355 OD1 ASP A 93 18.630 -18.670 8.862 1.00 1.71 O ATOM 1356 OD2 ASP A 93 17.849 -19.345 6.921 1.00 1.55 O ATOM 0 H ASP A 93 20.325 -15.777 5.476 1.00 0.77 H new ATOM 0 HA ASP A 93 20.805 -16.800 8.005 1.00 0.86 H new ATOM 0 HB2 ASP A 93 18.572 -16.378 7.478 1.00 0.90 H new ATOM 0 HB3 ASP A 93 18.657 -17.216 5.941 1.00 0.90 H new ATOM 1361 N HIS A 94 20.983 -19.102 5.622 1.00 0.89 N ATOM 1362 CA HIS A 94 21.524 -20.416 5.295 1.00 0.98 C ATOM 1363 C HIS A 94 22.977 -20.517 5.747 1.00 1.00 C ATOM 1364 O HIS A 94 23.343 -21.409 6.510 1.00 1.12 O ATOM 1365 CB HIS A 94 21.444 -20.656 3.788 1.00 1.00 C ATOM 1366 CG HIS A 94 20.074 -20.463 3.208 1.00 1.35 C ATOM 1367 ND1 HIS A 94 19.828 -20.296 1.863 1.00 2.17 N ATOM 1368 CD2 HIS A 94 18.860 -20.417 3.818 1.00 1.73 C ATOM 1369 CE1 HIS A 94 18.504 -20.157 1.700 1.00 2.46 C ATOM 1370 NE2 HIS A 94 17.873 -20.223 2.856 1.00 2.14 N ATOM 0 H HIS A 94 20.503 -18.640 4.849 1.00 0.89 H new ATOM 0 HA HIS A 94 20.934 -21.171 5.814 1.00 0.98 H new ATOM 0 HB2 HIS A 94 22.137 -19.981 3.286 1.00 1.00 H new ATOM 0 HB3 HIS A 94 21.777 -21.672 3.575 1.00 1.00 H new ATOM 0 HD2 HIS A 94 18.689 -20.515 4.880 1.00 1.73 H new ATOM 0 HE1 HIS A 94 18.018 -20.010 0.747 1.00 2.46 H new ATOM 0 HE2 HIS A 94 16.868 -20.147 3.013 1.00 2.14 H new ATOM 1378 N TRP A 95 23.795 -19.580 5.273 1.00 0.93 N ATOM 1379 CA TRP A 95 25.209 -19.539 5.624 1.00 1.00 C ATOM 1380 C TRP A 95 25.382 -19.553 7.135 1.00 1.06 C ATOM 1381 O TRP A 95 26.170 -20.326 7.675 1.00 1.16 O ATOM 1382 CB TRP A 95 25.855 -18.278 5.039 1.00 0.97 C ATOM 1383 CG TRP A 95 27.273 -18.068 5.476 1.00 1.09 C ATOM 1384 CD1 TRP A 95 27.732 -17.148 6.375 1.00 2.01 C ATOM 1385 CD2 TRP A 95 28.419 -18.798 5.030 1.00 1.04 C ATOM 1386 NE1 TRP A 95 29.097 -17.260 6.509 1.00 1.88 N ATOM 1387 CE2 TRP A 95 29.540 -18.268 5.695 1.00 1.04 C ATOM 1388 CE3 TRP A 95 28.605 -19.848 4.133 1.00 2.03 C ATOM 1389 CZ2 TRP A 95 30.828 -18.757 5.487 1.00 1.13 C ATOM 1390 CZ3 TRP A 95 29.882 -20.331 3.929 1.00 2.64 C ATOM 1391 CH2 TRP A 95 30.978 -19.786 4.603 1.00 2.05 C ATOM 0 H TRP A 95 23.499 -18.836 4.641 1.00 0.93 H new ATOM 0 HA TRP A 95 25.697 -20.420 5.208 1.00 1.00 H new ATOM 0 HB2 TRP A 95 25.825 -18.336 3.951 1.00 0.97 H new ATOM 0 HB3 TRP A 95 25.263 -17.410 5.328 1.00 0.97 H new ATOM 0 HD1 TRP A 95 27.114 -16.437 6.903 1.00 2.01 H new ATOM 0 HE1 TRP A 95 29.683 -16.686 7.115 1.00 1.88 H new ATOM 0 HE3 TRP A 95 27.765 -20.276 3.607 1.00 2.03 H new ATOM 0 HZ2 TRP A 95 31.677 -18.337 6.006 1.00 1.13 H new ATOM 0 HZ3 TRP A 95 30.037 -21.145 3.236 1.00 2.64 H new ATOM 0 HH2 TRP A 95 31.964 -20.187 4.421 1.00 2.05 H new ATOM 1402 N LYS A 96 24.628 -18.693 7.804 1.00 1.03 N ATOM 1403 CA LYS A 96 24.675 -18.589 9.257 1.00 1.12 C ATOM 1404 C LYS A 96 24.452 -19.951 9.905 1.00 1.21 C ATOM 1405 O LYS A 96 25.186 -20.341 10.809 1.00 1.32 O ATOM 1406 CB LYS A 96 23.625 -17.579 9.750 1.00 1.12 C ATOM 1407 CG LYS A 96 23.111 -17.843 11.164 1.00 1.49 C ATOM 1408 CD LYS A 96 22.022 -18.911 11.183 1.00 1.83 C ATOM 1409 CE LYS A 96 20.757 -18.425 11.873 1.00 2.36 C ATOM 1410 NZ LYS A 96 19.605 -19.335 11.619 1.00 2.86 N ATOM 0 H LYS A 96 23.971 -18.052 7.360 1.00 1.03 H new ATOM 0 HA LYS A 96 25.665 -18.235 9.546 1.00 1.12 H new ATOM 0 HB2 LYS A 96 24.056 -16.578 9.714 1.00 1.12 H new ATOM 0 HB3 LYS A 96 22.780 -17.587 9.062 1.00 1.12 H new ATOM 0 HG2 LYS A 96 23.939 -18.158 11.799 1.00 1.49 H new ATOM 0 HG3 LYS A 96 22.720 -16.918 11.587 1.00 1.49 H new ATOM 0 HD2 LYS A 96 21.786 -19.206 10.161 1.00 1.83 H new ATOM 0 HD3 LYS A 96 22.395 -19.799 11.693 1.00 1.83 H new ATOM 0 HE2 LYS A 96 20.933 -18.352 12.946 1.00 2.36 H new ATOM 0 HE3 LYS A 96 20.513 -17.423 11.521 1.00 2.36 H new ATOM 0 HZ1 LYS A 96 18.862 -19.160 12.325 1.00 2.86 H new ATOM 0 HZ2 LYS A 96 19.226 -19.158 10.667 1.00 2.86 H new ATOM 0 HZ3 LYS A 96 19.922 -20.323 11.688 1.00 2.86 H new ATOM 1424 N GLU A 97 23.432 -20.667 9.446 1.00 1.20 N ATOM 1425 CA GLU A 97 23.123 -21.978 9.995 1.00 1.32 C ATOM 1426 C GLU A 97 24.316 -22.915 9.856 1.00 1.36 C ATOM 1427 O GLU A 97 24.727 -23.561 10.820 1.00 1.47 O ATOM 1428 CB GLU A 97 21.898 -22.576 9.300 1.00 1.36 C ATOM 1429 CG GLU A 97 21.226 -23.684 10.098 1.00 1.86 C ATOM 1430 CD GLU A 97 20.884 -24.895 9.248 1.00 2.35 C ATOM 1431 OE1 GLU A 97 21.777 -25.385 8.523 1.00 2.68 O ATOM 1432 OE2 GLU A 97 19.721 -25.349 9.303 1.00 3.03 O ATOM 0 H GLU A 97 22.809 -20.362 8.698 1.00 1.20 H new ATOM 0 HA GLU A 97 22.899 -21.858 11.055 1.00 1.32 H new ATOM 0 HB2 GLU A 97 21.173 -21.783 9.113 1.00 1.36 H new ATOM 0 HB3 GLU A 97 22.198 -22.969 8.329 1.00 1.36 H new ATOM 0 HG2 GLU A 97 21.884 -23.990 10.911 1.00 1.86 H new ATOM 0 HG3 GLU A 97 20.315 -23.296 10.554 1.00 1.86 H new ATOM 1439 N LEU A 98 24.873 -22.978 8.652 1.00 1.31 N ATOM 1440 CA LEU A 98 26.024 -23.833 8.390 1.00 1.37 C ATOM 1441 C LEU A 98 27.179 -23.470 9.315 1.00 1.42 C ATOM 1442 O LEU A 98 27.794 -24.342 9.930 1.00 1.54 O ATOM 1443 CB LEU A 98 26.454 -23.707 6.926 1.00 1.31 C ATOM 1444 CG LEU A 98 27.541 -24.689 6.477 1.00 1.61 C ATOM 1445 CD1 LEU A 98 26.960 -26.084 6.291 1.00 2.07 C ATOM 1446 CD2 LEU A 98 28.200 -24.208 5.191 1.00 2.38 C ATOM 0 H LEU A 98 24.547 -22.448 7.844 1.00 1.31 H new ATOM 0 HA LEU A 98 25.740 -24.867 8.583 1.00 1.37 H new ATOM 0 HB2 LEU A 98 25.577 -23.847 6.294 1.00 1.31 H new ATOM 0 HB3 LEU A 98 26.812 -22.692 6.755 1.00 1.31 H new ATOM 0 HG LEU A 98 28.302 -24.736 7.256 1.00 1.61 H new ATOM 0 HD11 LEU A 98 27.748 -26.767 5.972 1.00 2.07 H new ATOM 0 HD12 LEU A 98 26.539 -26.431 7.234 1.00 2.07 H new ATOM 0 HD13 LEU A 98 26.177 -26.054 5.533 1.00 2.07 H new ATOM 0 HD21 LEU A 98 28.969 -24.919 4.888 1.00 2.38 H new ATOM 0 HD22 LEU A 98 27.449 -24.129 4.405 1.00 2.38 H new ATOM 0 HD23 LEU A 98 28.654 -23.231 5.358 1.00 2.38 H new ATOM 1458 N LYS A 99 27.455 -22.177 9.426 1.00 1.38 N ATOM 1459 CA LYS A 99 28.523 -21.693 10.288 1.00 1.47 C ATOM 1460 C LYS A 99 28.264 -22.114 11.731 1.00 1.60 C ATOM 1461 O LYS A 99 29.153 -22.628 12.407 1.00 1.74 O ATOM 1462 CB LYS A 99 28.638 -20.168 10.182 1.00 1.45 C ATOM 1463 CG LYS A 99 29.909 -19.703 9.482 1.00 1.90 C ATOM 1464 CD LYS A 99 30.369 -18.342 9.987 1.00 2.41 C ATOM 1465 CE LYS A 99 31.826 -18.078 9.637 1.00 3.14 C ATOM 1466 NZ LYS A 99 32.071 -16.646 9.309 1.00 4.07 N ATOM 0 H LYS A 99 26.952 -21.443 8.928 1.00 1.38 H new ATOM 0 HA LYS A 99 29.466 -22.133 9.964 1.00 1.47 H new ATOM 0 HB2 LYS A 99 27.773 -19.783 9.642 1.00 1.45 H new ATOM 0 HB3 LYS A 99 28.606 -19.738 11.183 1.00 1.45 H new ATOM 0 HG2 LYS A 99 30.700 -20.436 9.641 1.00 1.90 H new ATOM 0 HG3 LYS A 99 29.734 -19.651 8.407 1.00 1.90 H new ATOM 0 HD2 LYS A 99 29.743 -17.562 9.554 1.00 2.41 H new ATOM 0 HD3 LYS A 99 30.239 -18.291 11.068 1.00 2.41 H new ATOM 0 HE2 LYS A 99 32.459 -18.371 10.475 1.00 3.14 H new ATOM 0 HE3 LYS A 99 32.113 -18.699 8.788 1.00 3.14 H new ATOM 0 HZ1 LYS A 99 33.079 -16.507 9.093 1.00 4.07 H new ATOM 0 HZ2 LYS A 99 31.500 -16.376 8.483 1.00 4.07 H new ATOM 0 HZ3 LYS A 99 31.806 -16.053 10.122 1.00 4.07 H new ATOM 1480 N GLN A 100 27.034 -21.904 12.186 1.00 1.58 N ATOM 1481 CA GLN A 100 26.639 -22.271 13.540 1.00 1.72 C ATOM 1482 C GLN A 100 26.924 -23.746 13.798 1.00 1.81 C ATOM 1483 O GLN A 100 27.586 -24.098 14.775 1.00 1.95 O ATOM 1484 CB GLN A 100 25.151 -21.974 13.756 1.00 1.71 C ATOM 1485 CG GLN A 100 24.611 -22.462 15.092 1.00 1.93 C ATOM 1486 CD GLN A 100 23.191 -21.993 15.352 1.00 2.66 C ATOM 1487 OE1 GLN A 100 22.922 -21.313 16.341 1.00 3.23 O ATOM 1488 NE2 GLN A 100 22.276 -22.355 14.461 1.00 3.33 N ATOM 0 H GLN A 100 26.290 -21.479 11.633 1.00 1.58 H new ATOM 0 HA GLN A 100 27.222 -21.677 14.244 1.00 1.72 H new ATOM 0 HB2 GLN A 100 24.991 -20.898 13.682 1.00 1.71 H new ATOM 0 HB3 GLN A 100 24.578 -22.437 12.953 1.00 1.71 H new ATOM 0 HG2 GLN A 100 24.640 -23.551 15.116 1.00 1.93 H new ATOM 0 HG3 GLN A 100 25.259 -22.108 15.893 1.00 1.93 H new ATOM 0 HE21 GLN A 100 22.544 -22.920 13.655 1.00 3.33 H new ATOM 0 HE22 GLN A 100 21.305 -22.068 14.582 1.00 3.33 H new ATOM 1497 N LEU A 101 26.427 -24.608 12.913 1.00 1.77 N ATOM 1498 CA LEU A 101 26.640 -26.044 13.049 1.00 1.89 C ATOM 1499 C LEU A 101 28.131 -26.357 13.139 1.00 1.96 C ATOM 1500 O LEU A 101 28.567 -27.102 14.017 1.00 2.12 O ATOM 1501 CB LEU A 101 26.012 -26.791 11.868 1.00 1.86 C ATOM 1502 CG LEU A 101 24.492 -26.639 11.735 1.00 2.09 C ATOM 1503 CD1 LEU A 101 24.040 -26.995 10.326 1.00 2.56 C ATOM 1504 CD2 LEU A 101 23.772 -27.503 12.762 1.00 2.59 C ATOM 0 H LEU A 101 25.877 -24.337 12.098 1.00 1.77 H new ATOM 0 HA LEU A 101 26.159 -26.378 13.969 1.00 1.89 H new ATOM 0 HB2 LEU A 101 26.478 -26.440 10.947 1.00 1.86 H new ATOM 0 HB3 LEU A 101 26.249 -27.851 11.962 1.00 1.86 H new ATOM 0 HG LEU A 101 24.236 -25.597 11.926 1.00 2.09 H new ATOM 0 HD11 LEU A 101 22.959 -26.881 10.251 1.00 2.56 H new ATOM 0 HD12 LEU A 101 24.525 -26.332 9.610 1.00 2.56 H new ATOM 0 HD13 LEU A 101 24.312 -28.027 10.107 1.00 2.56 H new ATOM 0 HD21 LEU A 101 22.695 -27.380 12.650 1.00 2.59 H new ATOM 0 HD22 LEU A 101 24.036 -28.549 12.606 1.00 2.59 H new ATOM 0 HD23 LEU A 101 24.069 -27.199 13.766 1.00 2.59 H new ATOM 1516 N ALA A 102 28.909 -25.779 12.226 1.00 1.86 N ATOM 1517 CA ALA A 102 30.353 -25.991 12.202 1.00 1.95 C ATOM 1518 C ALA A 102 30.990 -25.611 13.536 1.00 2.09 C ATOM 1519 O ALA A 102 31.842 -26.331 14.058 1.00 2.24 O ATOM 1520 CB ALA A 102 30.983 -25.198 11.065 1.00 1.85 C ATOM 0 H ALA A 102 28.562 -25.160 11.493 1.00 1.86 H new ATOM 0 HA ALA A 102 30.536 -27.052 12.035 1.00 1.95 H new ATOM 0 HB1 ALA A 102 32.060 -25.365 11.058 1.00 1.85 H new ATOM 0 HB2 ALA A 102 30.559 -25.524 10.115 1.00 1.85 H new ATOM 0 HB3 ALA A 102 30.781 -24.136 11.206 1.00 1.85 H new ATOM 1526 N ALA A 103 30.575 -24.471 14.082 1.00 2.07 N ATOM 1527 CA ALA A 103 31.106 -23.993 15.354 1.00 2.24 C ATOM 1528 C ALA A 103 30.784 -24.968 16.480 1.00 2.38 C ATOM 1529 O ALA A 103 31.644 -25.287 17.300 1.00 2.56 O ATOM 1530 CB ALA A 103 30.554 -22.611 15.673 1.00 2.21 C ATOM 0 H ALA A 103 29.873 -23.862 13.663 1.00 2.07 H new ATOM 0 HA ALA A 103 32.190 -23.924 15.265 1.00 2.24 H new ATOM 0 HB1 ALA A 103 30.959 -22.268 16.625 1.00 2.21 H new ATOM 0 HB2 ALA A 103 30.840 -21.914 14.885 1.00 2.21 H new ATOM 0 HB3 ALA A 103 29.467 -22.659 15.738 1.00 2.21 H new ATOM 1536 N ALA A 104 29.540 -25.436 16.513 1.00 2.34 N ATOM 1537 CA ALA A 104 29.107 -26.380 17.536 1.00 2.50 C ATOM 1538 C ALA A 104 29.930 -27.661 17.463 1.00 2.58 C ATOM 1539 O ALA A 104 30.317 -28.224 18.488 1.00 2.74 O ATOM 1540 CB ALA A 104 27.625 -26.687 17.382 1.00 2.48 C ATOM 0 H ALA A 104 28.815 -25.177 15.844 1.00 2.34 H new ATOM 0 HA ALA A 104 29.265 -25.926 18.514 1.00 2.50 H new ATOM 0 HB1 ALA A 104 27.318 -27.393 18.153 1.00 2.48 H new ATOM 0 HB2 ALA A 104 27.050 -25.766 17.483 1.00 2.48 H new ATOM 0 HB3 ALA A 104 27.444 -27.122 16.399 1.00 2.48 H new ATOM 1546 N ARG A 105 30.194 -28.113 16.240 1.00 2.50 N ATOM 1547 CA ARG A 105 30.974 -29.324 16.019 1.00 2.60 C ATOM 1548 C ARG A 105 32.342 -29.209 16.685 1.00 2.72 C ATOM 1549 O ARG A 105 32.761 -30.100 17.423 1.00 2.88 O ATOM 1550 CB ARG A 105 31.140 -29.578 14.513 1.00 2.49 C ATOM 1551 CG ARG A 105 32.325 -30.471 14.157 1.00 2.62 C ATOM 1552 CD ARG A 105 32.569 -30.509 12.654 1.00 2.76 C ATOM 1553 NE ARG A 105 33.844 -29.892 12.288 1.00 3.19 N ATOM 1554 CZ ARG A 105 33.997 -28.601 12.005 1.00 3.86 C ATOM 1555 NH1 ARG A 105 32.965 -27.771 12.072 1.00 4.39 N ATOM 1556 NH2 ARG A 105 35.191 -28.143 11.664 1.00 4.42 N ATOM 0 H ARG A 105 29.877 -27.656 15.385 1.00 2.50 H new ATOM 0 HA ARG A 105 30.442 -30.165 16.464 1.00 2.60 H new ATOM 0 HB2 ARG A 105 30.227 -30.034 14.130 1.00 2.49 H new ATOM 0 HB3 ARG A 105 31.255 -28.621 14.005 1.00 2.49 H new ATOM 0 HG2 ARG A 105 33.220 -30.107 14.662 1.00 2.62 H new ATOM 0 HG3 ARG A 105 32.142 -31.482 14.522 1.00 2.62 H new ATOM 0 HD2 ARG A 105 32.556 -31.544 12.311 1.00 2.76 H new ATOM 0 HD3 ARG A 105 31.757 -29.993 12.142 1.00 2.76 H new ATOM 0 HE ARG A 105 34.669 -30.490 12.247 1.00 3.19 H new ATOM 0 HH11 ARG A 105 32.046 -28.121 12.342 1.00 4.39 H new ATOM 0 HH12 ARG A 105 33.090 -26.783 11.854 1.00 4.39 H new ATOM 0 HH21 ARG A 105 35.987 -28.779 11.619 1.00 4.42 H new ATOM 0 HH22 ARG A 105 35.315 -27.154 11.446 1.00 4.42 H new ATOM 1570 N GLY A 106 33.036 -28.105 16.412 1.00 2.67 N ATOM 1571 CA GLY A 106 34.355 -27.894 16.984 1.00 2.83 C ATOM 1572 C GLY A 106 34.318 -27.729 18.490 1.00 3.06 C ATOM 1573 O GLY A 106 35.225 -28.176 19.192 1.00 3.27 O ATOM 0 H GLY A 106 32.708 -27.354 15.805 1.00 2.67 H new ATOM 0 HA2 GLY A 106 34.996 -28.738 16.730 1.00 2.83 H new ATOM 0 HA3 GLY A 106 34.804 -27.007 16.536 1.00 2.83 H new ATOM 1577 N GLN A 107 33.271 -27.077 18.985 1.00 3.06 N ATOM 1578 CA GLN A 107 33.116 -26.846 20.417 1.00 3.32 C ATOM 1579 C GLN A 107 33.116 -28.169 21.180 1.00 3.48 C ATOM 1580 O GLN A 107 33.924 -28.369 22.088 1.00 3.75 O ATOM 1581 CB GLN A 107 31.820 -26.075 20.686 1.00 3.32 C ATOM 1582 CG GLN A 107 31.868 -25.203 21.932 1.00 3.59 C ATOM 1583 CD GLN A 107 31.297 -25.891 23.159 1.00 3.56 C ATOM 1584 OE1 GLN A 107 30.863 -27.042 23.096 1.00 3.65 O ATOM 1585 NE2 GLN A 107 31.295 -25.187 24.283 1.00 4.07 N ATOM 0 H GLN A 107 32.515 -26.698 18.414 1.00 3.06 H new ATOM 0 HA GLN A 107 33.960 -26.251 20.767 1.00 3.32 H new ATOM 0 HB2 GLN A 107 31.597 -25.447 19.823 1.00 3.32 H new ATOM 0 HB3 GLN A 107 31.000 -26.786 20.784 1.00 3.32 H new ATOM 0 HG2 GLN A 107 32.901 -24.918 22.130 1.00 3.59 H new ATOM 0 HG3 GLN A 107 31.313 -24.283 21.747 1.00 3.59 H new ATOM 0 HE21 GLN A 107 31.665 -24.236 24.290 1.00 4.07 H new ATOM 0 HE22 GLN A 107 30.924 -25.596 25.140 1.00 4.07 H new TER 1594 GLN A 107