USER MOD reduce.3.24.130724 H: found=0, std=0, add=1228, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 1226 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 84 ASN : amide:sc= -0.221 K(o=1.2,f=2) USER MOD Set 1.2: A 108 TYR OH : rot 177:sc= 0.232 USER MOD Set 1.3: A 154 HIS : no HD1:sc=-0.00562 K(o=1.2,f=1.7) USER MOD Set 1.4: A 156 HIS : no HE2:sc= 1.19 K(o=1.2,f=-6.4!) USER MOD Set 2.1: A 82 ASN : amide:sc= -1.4! K(o=-7.9!,f=-5.4) USER MOD Set 2.2: A 83 ASN : amide:sc= -6.52! C(o=-7.9!,f=-4.1!) USER MOD Set 3.1: A 11 ASN : amide:sc= -0.271 K(o=-2,f=-4.1!) USER MOD Set 3.2: A 74 GLN : amide:sc= -1.7! K(o=-2!,f=-3.2) USER MOD Single : A 1 MET CE :methyl -138:sc= -0.163 (180deg=-0.826) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 152:sc= -0.895! (180deg=-4.12!) USER MOD Single : A 13 GLN : amide:sc= -2.48! K(o=-2.5!,f=-0.11) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.691 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 32 GLN : amide:sc= -0.743 K(o=-0.74,f=-5!) USER MOD Single : A 36 MET CE :methyl -141:sc= -0.195 (180deg=-0.78) USER MOD Single : A 37 ASN : amide:sc= -3.04! K(o=-3!,f=-5) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 HIS : no HD1:sc= -2.47 K(o=-2.5,f=-5.1!) USER MOD Single : A 55 THR OG1 : rot -171:sc= -0.842! USER MOD Single : A 58 SER OG : rot 80:sc= -2.23! USER MOD Single : A 68 THR OG1 : rot -36:sc= 0.996 USER MOD Single : A 70 LYS NZ :NH3+ 169:sc= -0.0137 (180deg=-0.149) USER MOD Single : A 79 ASN : amide:sc= 0.546 K(o=0.55,f=0) USER MOD Single : A 81 LYS NZ :NH3+ 134:sc= -0.0969 (180deg=-0.593) USER MOD Single : A 94 GLN : amide:sc= 0.121 K(o=0.12,f=-0.54) USER MOD Single : A 101 THR OG1 : rot 122:sc= 0.625 USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 119 HIS : no HD1:sc= -0.762 K(o=-0.76,f=0.19) USER MOD Single : A 122 MET CE :methyl -118:sc= -2.19 (180deg=-6.92!) USER MOD Single : A 125 HIS : no HD1:sc= -0.149 K(o=-0.15,f=-1.7!) USER MOD Single : A 128 SER OG : rot 81:sc= 0.04 USER MOD Single : A 130 ASN : amide:sc= -1.04 K(o=-1,f=-2.6!) USER MOD Single : A 131 TYR OH : rot 180:sc= 0 USER MOD Single : A 136 SER OG : rot -25:sc= 0.273 USER MOD Single : A 143 GLN : amide:sc= -0.516 K(o=-0.52,f=-3.1) USER MOD Single : A 144 GLN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 149 SER OG : rot 180:sc= 0 USER MOD Single : A 152 HIS : no HD1:sc= -0.0297 X(o=-0.03,f=-0.062) USER MOD Single : A 153 HIS : no HE2:sc= 0.0327 K(o=0.033,f=-3.6!) USER MOD Single : A 155 HIS : no HD1:sc= 0.623 K(o=0.62,f=-2.9!) USER MOD Single : A 157 HIS : no HD1:sc= 0 X(o=0,f=-0.15) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.211 0.052 21.283 1.00 42.23 N ATOM 2 CA MET A 1 2.430 0.135 20.432 1.00 31.22 C ATOM 3 C MET A 1 3.221 -1.185 20.444 1.00 43.25 C ATOM 4 O MET A 1 3.995 -1.453 21.367 1.00 34.21 O ATOM 5 CB MET A 1 3.329 1.294 20.898 1.00 11.33 C ATOM 6 CG MET A 1 4.603 1.457 20.072 1.00 71.20 C ATOM 7 SD MET A 1 5.581 2.896 20.556 1.00 4.15 S ATOM 8 CE MET A 1 4.428 4.225 20.207 1.00 74.44 C ATOM 0 H1 MET A 1 0.703 0.959 21.251 1.00 42.23 H new ATOM 0 H2 MET A 1 0.591 -0.705 20.929 1.00 42.23 H new ATOM 0 H3 MET A 1 1.486 -0.156 22.264 1.00 42.23 H new ATOM 0 HA MET A 1 2.106 0.321 19.408 1.00 31.22 H new ATOM 0 HB2 MET A 1 2.759 2.222 20.857 1.00 11.33 H new ATOM 0 HB3 MET A 1 3.602 1.133 21.941 1.00 11.33 H new ATOM 0 HG2 MET A 1 5.213 0.559 20.175 1.00 71.20 H new ATOM 0 HG3 MET A 1 4.337 1.543 19.018 1.00 71.20 H new ATOM 0 HE1 MET A 1 4.958 5.052 19.734 1.00 74.44 H new ATOM 0 HE2 MET A 1 3.648 3.863 19.537 1.00 74.44 H new ATOM 0 HE3 MET A 1 3.977 4.569 21.138 1.00 74.44 H new ATOM 20 N ARG A 2 3.005 -2.019 19.427 1.00 62.34 N ATOM 21 CA ARG A 2 3.776 -3.259 19.262 1.00 62.23 C ATOM 22 C ARG A 2 4.709 -3.160 18.045 1.00 61.41 C ATOM 23 O ARG A 2 4.255 -2.919 16.926 1.00 15.00 O ATOM 24 CB ARG A 2 2.837 -4.464 19.098 1.00 12.54 C ATOM 25 CG ARG A 2 3.577 -5.794 18.966 1.00 31.21 C ATOM 26 CD ARG A 2 2.635 -6.960 18.679 1.00 0.31 C ATOM 27 NE ARG A 2 1.737 -7.255 19.797 1.00 63.44 N ATOM 28 CZ ARG A 2 1.753 -8.378 20.469 1.00 2.34 C ATOM 29 NH1 ARG A 2 2.613 -9.304 20.176 1.00 21.11 N ATOM 30 NH2 ARG A 2 0.898 -8.583 21.421 1.00 72.21 N ATOM 0 H ARG A 2 2.304 -1.862 18.703 1.00 62.34 H new ATOM 0 HA ARG A 2 4.379 -3.400 20.159 1.00 62.23 H new ATOM 0 HB2 ARG A 2 2.167 -4.513 19.956 1.00 12.54 H new ATOM 0 HB3 ARG A 2 2.215 -4.313 18.216 1.00 12.54 H new ATOM 0 HG2 ARG A 2 4.312 -5.719 18.165 1.00 31.21 H new ATOM 0 HG3 ARG A 2 4.127 -5.993 19.886 1.00 31.21 H new ATOM 0 HD2 ARG A 2 2.042 -6.732 17.793 1.00 0.31 H new ATOM 0 HD3 ARG A 2 3.224 -7.848 18.448 1.00 0.31 H new ATOM 0 HE ARG A 2 1.059 -6.543 20.068 1.00 63.44 H new ATOM 0 HH11 ARG A 2 3.281 -9.159 19.419 1.00 21.11 H new ATOM 0 HH12 ARG A 2 2.621 -10.177 20.703 1.00 21.11 H new ATOM 0 HH21 ARG A 2 0.208 -7.867 21.650 1.00 72.21 H new ATOM 0 HH22 ARG A 2 0.915 -9.460 21.942 1.00 72.21 H new ATOM 44 N VAL A 3 6.008 -3.341 18.270 1.00 12.44 N ATOM 45 CA VAL A 3 7.004 -3.261 17.193 1.00 4.33 C ATOM 46 C VAL A 3 6.939 -4.481 16.250 1.00 20.04 C ATOM 47 O VAL A 3 6.987 -5.634 16.688 1.00 15.22 O ATOM 48 CB VAL A 3 8.440 -3.127 17.766 1.00 4.45 C ATOM 49 CG1 VAL A 3 9.483 -3.107 16.646 1.00 35.24 C ATOM 50 CG2 VAL A 3 8.557 -1.873 18.633 1.00 71.35 C ATOM 0 H VAL A 3 6.401 -3.545 19.189 1.00 12.44 H new ATOM 0 HA VAL A 3 6.763 -2.369 16.615 1.00 4.33 H new ATOM 0 HB VAL A 3 8.635 -3.999 18.390 1.00 4.45 H new ATOM 0 HG11 VAL A 3 10.479 -3.012 17.078 1.00 35.24 H new ATOM 0 HG12 VAL A 3 9.422 -4.034 16.075 1.00 35.24 H new ATOM 0 HG13 VAL A 3 9.292 -2.261 15.986 1.00 35.24 H new ATOM 0 HG21 VAL A 3 9.571 -1.796 19.026 1.00 71.35 H new ATOM 0 HG22 VAL A 3 8.333 -0.992 18.031 1.00 71.35 H new ATOM 0 HG23 VAL A 3 7.851 -1.936 19.461 1.00 71.35 H new ATOM 60 N TYR A 4 6.825 -4.208 14.951 1.00 42.43 N ATOM 61 CA TYR A 4 6.795 -5.251 13.919 1.00 20.25 C ATOM 62 C TYR A 4 8.036 -5.196 13.019 1.00 51.03 C ATOM 63 O TYR A 4 8.563 -4.123 12.722 1.00 3.04 O ATOM 64 CB TYR A 4 5.535 -5.114 13.048 1.00 1.21 C ATOM 65 CG TYR A 4 4.289 -5.742 13.644 1.00 42.52 C ATOM 66 CD1 TYR A 4 3.702 -5.229 14.794 1.00 14.45 C ATOM 67 CD2 TYR A 4 3.696 -6.852 13.045 1.00 51.41 C ATOM 68 CE1 TYR A 4 2.563 -5.802 15.328 1.00 12.52 C ATOM 69 CE2 TYR A 4 2.558 -7.427 13.574 1.00 4.44 C ATOM 70 CZ TYR A 4 1.998 -6.900 14.716 1.00 43.31 C ATOM 71 OH TYR A 4 0.862 -7.468 15.245 1.00 41.34 O ATOM 0 H TYR A 4 6.751 -3.260 14.582 1.00 42.43 H new ATOM 0 HA TYR A 4 6.783 -6.211 14.436 1.00 20.25 H new ATOM 0 HB2 TYR A 4 5.344 -4.056 12.871 1.00 1.21 H new ATOM 0 HB3 TYR A 4 5.728 -5.570 12.077 1.00 1.21 H new ATOM 0 HD1 TYR A 4 4.142 -4.370 15.278 1.00 14.45 H new ATOM 0 HD2 TYR A 4 4.135 -7.270 12.151 1.00 51.41 H new ATOM 0 HE1 TYR A 4 2.117 -5.391 16.222 1.00 12.52 H new ATOM 0 HE2 TYR A 4 2.110 -8.285 13.095 1.00 4.44 H new ATOM 0 HH TYR A 4 0.591 -8.232 14.694 1.00 41.34 H new ATOM 81 N LYS A 5 8.493 -6.366 12.601 1.00 74.12 N ATOM 82 CA LYS A 5 9.569 -6.490 11.617 1.00 4.52 C ATOM 83 C LYS A 5 9.073 -7.309 10.403 1.00 20.52 C ATOM 84 O LYS A 5 7.974 -7.862 10.451 1.00 65.20 O ATOM 85 CB LYS A 5 10.788 -7.155 12.270 1.00 20.33 C ATOM 86 CG LYS A 5 11.380 -6.378 13.443 1.00 54.12 C ATOM 87 CD LYS A 5 12.601 -7.080 14.042 1.00 73.45 C ATOM 88 CE LYS A 5 12.231 -8.308 14.878 1.00 51.42 C ATOM 89 NZ LYS A 5 11.510 -9.356 14.103 1.00 65.01 N ATOM 0 H LYS A 5 8.131 -7.260 12.932 1.00 74.12 H new ATOM 0 HA LYS A 5 9.864 -5.501 11.265 1.00 4.52 H new ATOM 0 HB2 LYS A 5 10.502 -8.148 12.616 1.00 20.33 H new ATOM 0 HB3 LYS A 5 11.561 -7.291 11.513 1.00 20.33 H new ATOM 0 HG2 LYS A 5 11.664 -5.380 13.110 1.00 54.12 H new ATOM 0 HG3 LYS A 5 10.620 -6.252 14.214 1.00 54.12 H new ATOM 0 HD2 LYS A 5 13.271 -7.383 13.237 1.00 73.45 H new ATOM 0 HD3 LYS A 5 13.150 -6.374 14.665 1.00 73.45 H new ATOM 0 HE2 LYS A 5 13.139 -8.739 15.299 1.00 51.42 H new ATOM 0 HE3 LYS A 5 11.609 -7.994 15.716 1.00 51.42 H new ATOM 0 HZ1 LYS A 5 11.697 -10.289 14.523 1.00 65.01 H new ATOM 0 HZ2 LYS A 5 10.488 -9.164 14.127 1.00 65.01 H new ATOM 0 HZ3 LYS A 5 11.840 -9.348 13.117 1.00 65.01 H new ATOM 103 N PRO A 6 9.851 -7.393 9.292 1.00 25.02 N ATOM 104 CA PRO A 6 9.440 -8.135 8.082 1.00 24.23 C ATOM 105 C PRO A 6 8.849 -9.530 8.373 1.00 64.33 C ATOM 106 O PRO A 6 7.772 -9.865 7.884 1.00 13.54 O ATOM 107 CB PRO A 6 10.744 -8.252 7.260 1.00 32.01 C ATOM 108 CG PRO A 6 11.830 -7.724 8.144 1.00 60.43 C ATOM 109 CD PRO A 6 11.165 -6.768 9.094 1.00 5.05 C ATOM 0 HA PRO A 6 8.635 -7.614 7.563 1.00 24.23 H new ATOM 0 HB2 PRO A 6 10.937 -9.287 6.978 1.00 32.01 H new ATOM 0 HB3 PRO A 6 10.677 -7.677 6.336 1.00 32.01 H new ATOM 0 HG2 PRO A 6 12.320 -8.533 8.685 1.00 60.43 H new ATOM 0 HG3 PRO A 6 12.599 -7.220 7.558 1.00 60.43 H new ATOM 0 HD2 PRO A 6 11.716 -6.674 10.030 1.00 5.05 H new ATOM 0 HD3 PRO A 6 11.080 -5.767 8.672 1.00 5.05 H new ATOM 117 N GLU A 7 9.545 -10.336 9.180 1.00 74.24 N ATOM 118 CA GLU A 7 9.069 -11.696 9.503 1.00 73.12 C ATOM 119 C GLU A 7 8.069 -11.706 10.679 1.00 13.04 C ATOM 120 O GLU A 7 7.726 -12.768 11.206 1.00 2.23 O ATOM 121 CB GLU A 7 10.247 -12.667 9.769 1.00 30.43 C ATOM 122 CG GLU A 7 11.536 -12.020 10.272 1.00 0.52 C ATOM 123 CD GLU A 7 11.357 -11.198 11.534 1.00 72.40 C ATOM 124 OE1 GLU A 7 11.207 -11.783 12.627 1.00 72.25 O ATOM 125 OE2 GLU A 7 11.384 -9.957 11.439 1.00 45.32 O ATOM 0 H GLU A 7 10.429 -10.081 9.620 1.00 74.24 H new ATOM 0 HA GLU A 7 8.533 -12.051 8.622 1.00 73.12 H new ATOM 0 HB2 GLU A 7 9.925 -13.409 10.500 1.00 30.43 H new ATOM 0 HB3 GLU A 7 10.467 -13.204 8.846 1.00 30.43 H new ATOM 0 HG2 GLU A 7 12.274 -12.800 10.459 1.00 0.52 H new ATOM 0 HG3 GLU A 7 11.941 -11.381 9.487 1.00 0.52 H new ATOM 132 N ASP A 8 7.603 -10.529 11.089 1.00 53.52 N ATOM 133 CA ASP A 8 6.475 -10.428 12.026 1.00 54.22 C ATOM 134 C ASP A 8 5.154 -10.240 11.263 1.00 54.52 C ATOM 135 O ASP A 8 4.067 -10.400 11.823 1.00 3.04 O ATOM 136 CB ASP A 8 6.678 -9.276 13.018 1.00 33.13 C ATOM 137 CG ASP A 8 7.751 -9.578 14.046 1.00 34.14 C ATOM 138 OD1 ASP A 8 7.583 -10.552 14.805 1.00 15.44 O ATOM 139 OD2 ASP A 8 8.759 -8.844 14.107 1.00 5.35 O ATOM 0 H ASP A 8 7.984 -9.631 10.791 1.00 53.52 H new ATOM 0 HA ASP A 8 6.428 -11.360 12.590 1.00 54.22 H new ATOM 0 HB2 ASP A 8 6.947 -8.373 12.471 1.00 33.13 H new ATOM 0 HB3 ASP A 8 5.737 -9.071 13.529 1.00 33.13 H new ATOM 144 N VAL A 9 5.262 -9.896 9.982 1.00 63.23 N ATOM 145 CA VAL A 9 4.092 -9.744 9.115 1.00 3.32 C ATOM 146 C VAL A 9 3.738 -11.086 8.449 1.00 72.42 C ATOM 147 O VAL A 9 4.607 -11.737 7.869 1.00 75.45 O ATOM 148 CB VAL A 9 4.352 -8.682 8.014 1.00 12.22 C ATOM 149 CG1 VAL A 9 3.090 -8.427 7.189 1.00 71.44 C ATOM 150 CG2 VAL A 9 4.877 -7.385 8.629 1.00 2.22 C ATOM 0 H VAL A 9 6.152 -9.716 9.518 1.00 63.23 H new ATOM 0 HA VAL A 9 3.259 -9.415 9.737 1.00 3.32 H new ATOM 0 HB VAL A 9 5.116 -9.071 7.341 1.00 12.22 H new ATOM 0 HG11 VAL A 9 3.300 -7.679 6.425 1.00 71.44 H new ATOM 0 HG12 VAL A 9 2.774 -9.354 6.712 1.00 71.44 H new ATOM 0 HG13 VAL A 9 2.295 -8.066 7.842 1.00 71.44 H new ATOM 0 HG21 VAL A 9 5.053 -6.653 7.840 1.00 2.22 H new ATOM 0 HG22 VAL A 9 4.142 -6.992 9.331 1.00 2.22 H new ATOM 0 HG23 VAL A 9 5.811 -7.584 9.155 1.00 2.22 H new ATOM 160 N PRO A 10 2.466 -11.533 8.533 1.00 15.43 N ATOM 161 CA PRO A 10 2.034 -12.795 7.908 1.00 43.43 C ATOM 162 C PRO A 10 2.251 -12.796 6.383 1.00 44.40 C ATOM 163 O PRO A 10 1.685 -11.969 5.663 1.00 45.13 O ATOM 164 CB PRO A 10 0.534 -12.880 8.254 1.00 62.51 C ATOM 165 CG PRO A 10 0.138 -11.484 8.616 1.00 40.42 C ATOM 166 CD PRO A 10 1.358 -10.860 9.235 1.00 61.42 C ATOM 0 HA PRO A 10 2.608 -13.648 8.271 1.00 43.43 H new ATOM 0 HB2 PRO A 10 -0.046 -13.247 7.407 1.00 62.51 H new ATOM 0 HB3 PRO A 10 0.359 -13.567 9.082 1.00 62.51 H new ATOM 0 HG2 PRO A 10 -0.182 -10.927 7.735 1.00 40.42 H new ATOM 0 HG3 PRO A 10 -0.699 -11.483 9.315 1.00 40.42 H new ATOM 0 HD2 PRO A 10 1.380 -9.781 9.084 1.00 61.42 H new ATOM 0 HD3 PRO A 10 1.398 -11.032 10.311 1.00 61.42 H new ATOM 174 N ASN A 11 3.085 -13.721 5.898 1.00 2.43 N ATOM 175 CA ASN A 11 3.390 -13.829 4.464 1.00 3.31 C ATOM 176 C ASN A 11 2.143 -14.193 3.642 1.00 10.41 C ATOM 177 O ASN A 11 1.954 -15.347 3.251 1.00 61.52 O ATOM 178 CB ASN A 11 4.494 -14.871 4.229 1.00 45.34 C ATOM 179 CG ASN A 11 5.816 -14.481 4.864 1.00 5.44 C ATOM 180 OD1 ASN A 11 5.855 -13.773 5.858 1.00 50.41 O ATOM 181 ND2 ASN A 11 6.911 -14.944 4.298 1.00 42.24 N ATOM 0 H ASN A 11 3.564 -14.409 6.479 1.00 2.43 H new ATOM 0 HA ASN A 11 3.738 -12.852 4.130 1.00 3.31 H new ATOM 0 HB2 ASN A 11 4.172 -15.831 4.632 1.00 45.34 H new ATOM 0 HB3 ASN A 11 4.637 -15.006 3.157 1.00 45.34 H new ATOM 0 HD21 ASN A 11 7.824 -14.713 4.689 1.00 42.24 H new ATOM 0 HD22 ASN A 11 6.846 -15.533 3.468 1.00 42.24 H new ATOM 188 N VAL A 12 1.290 -13.207 3.386 1.00 62.13 N ATOM 189 CA VAL A 12 0.054 -13.437 2.630 1.00 2.40 C ATOM 190 C VAL A 12 0.337 -13.884 1.187 1.00 2.14 C ATOM 191 O VAL A 12 -0.321 -14.775 0.671 1.00 11.11 O ATOM 192 CB VAL A 12 -0.858 -12.183 2.621 1.00 33.24 C ATOM 193 CG1 VAL A 12 -1.293 -11.833 4.043 1.00 4.11 C ATOM 194 CG2 VAL A 12 -0.161 -10.996 1.954 1.00 0.45 C ATOM 0 H VAL A 12 1.427 -12.242 3.688 1.00 62.13 H new ATOM 0 HA VAL A 12 -0.470 -14.243 3.143 1.00 2.40 H new ATOM 0 HB VAL A 12 -1.747 -12.413 2.034 1.00 33.24 H new ATOM 0 HG11 VAL A 12 -1.933 -10.951 4.021 1.00 4.11 H new ATOM 0 HG12 VAL A 12 -1.844 -12.670 4.471 1.00 4.11 H new ATOM 0 HG13 VAL A 12 -0.413 -11.628 4.653 1.00 4.11 H new ATOM 0 HG21 VAL A 12 -0.825 -10.132 1.963 1.00 0.45 H new ATOM 0 HG22 VAL A 12 0.752 -10.757 2.499 1.00 0.45 H new ATOM 0 HG23 VAL A 12 0.088 -11.252 0.924 1.00 0.45 H new ATOM 204 N GLN A 13 1.347 -13.299 0.552 1.00 43.22 N ATOM 205 CA GLN A 13 1.691 -13.655 -0.835 1.00 1.43 C ATOM 206 C GLN A 13 2.362 -15.043 -0.925 1.00 12.10 C ATOM 207 O GLN A 13 2.817 -15.461 -1.988 1.00 14.41 O ATOM 208 CB GLN A 13 2.586 -12.570 -1.449 1.00 32.41 C ATOM 209 CG GLN A 13 1.907 -11.204 -1.541 1.00 23.11 C ATOM 210 CD GLN A 13 0.673 -11.214 -2.433 1.00 62.24 C ATOM 211 OE1 GLN A 13 0.757 -10.955 -3.628 1.00 34.31 O ATOM 212 NE2 GLN A 13 -0.478 -11.528 -1.869 1.00 64.24 N ATOM 0 H GLN A 13 1.942 -12.581 0.965 1.00 43.22 H new ATOM 0 HA GLN A 13 0.765 -13.714 -1.406 1.00 1.43 H new ATOM 0 HB2 GLN A 13 3.493 -12.477 -0.852 1.00 32.41 H new ATOM 0 HB3 GLN A 13 2.892 -12.884 -2.447 1.00 32.41 H new ATOM 0 HG2 GLN A 13 1.623 -10.877 -0.541 1.00 23.11 H new ATOM 0 HG3 GLN A 13 2.620 -10.474 -1.925 1.00 23.11 H new ATOM 0 HE21 GLN A 13 -0.517 -11.739 -0.872 1.00 64.24 H new ATOM 0 HE22 GLN A 13 -1.329 -11.560 -2.430 1.00 64.24 H new ATOM 221 N LEU A 14 2.412 -15.750 0.204 1.00 11.43 N ATOM 222 CA LEU A 14 2.882 -17.139 0.243 1.00 32.11 C ATOM 223 C LEU A 14 1.679 -18.100 0.145 1.00 54.15 C ATOM 224 O LEU A 14 1.816 -19.262 -0.245 1.00 65.45 O ATOM 225 CB LEU A 14 3.685 -17.362 1.543 1.00 15.14 C ATOM 226 CG LEU A 14 4.477 -18.684 1.662 1.00 74.42 C ATOM 227 CD1 LEU A 14 5.653 -18.508 2.619 1.00 62.31 C ATOM 228 CD2 LEU A 14 3.588 -19.831 2.145 1.00 62.24 C ATOM 0 H LEU A 14 2.131 -15.381 1.112 1.00 11.43 H new ATOM 0 HA LEU A 14 3.536 -17.342 -0.605 1.00 32.11 H new ATOM 0 HB2 LEU A 14 4.387 -16.536 1.653 1.00 15.14 H new ATOM 0 HB3 LEU A 14 2.992 -17.306 2.383 1.00 15.14 H new ATOM 0 HG LEU A 14 4.848 -18.937 0.669 1.00 74.42 H new ATOM 0 HD11 LEU A 14 6.204 -19.446 2.695 1.00 62.31 H new ATOM 0 HD12 LEU A 14 6.315 -17.728 2.243 1.00 62.31 H new ATOM 0 HD13 LEU A 14 5.281 -18.225 3.604 1.00 62.31 H new ATOM 0 HD21 LEU A 14 4.179 -20.744 2.217 1.00 62.24 H new ATOM 0 HD22 LEU A 14 3.178 -19.586 3.125 1.00 62.24 H new ATOM 0 HD23 LEU A 14 2.772 -19.981 1.438 1.00 62.24 H new ATOM 240 N ALA A 15 0.493 -17.584 0.480 1.00 20.05 N ATOM 241 CA ALA A 15 -0.750 -18.368 0.444 1.00 54.53 C ATOM 242 C ALA A 15 -1.929 -17.540 -0.104 1.00 22.10 C ATOM 243 O ALA A 15 -2.581 -17.934 -1.074 1.00 52.12 O ATOM 244 CB ALA A 15 -1.077 -18.897 1.836 1.00 72.51 C ATOM 0 H ALA A 15 0.365 -16.618 0.782 1.00 20.05 H new ATOM 0 HA ALA A 15 -0.595 -19.209 -0.232 1.00 54.53 H new ATOM 0 HB1 ALA A 15 -2.000 -19.476 1.798 1.00 72.51 H new ATOM 0 HB2 ALA A 15 -0.263 -19.533 2.184 1.00 72.51 H new ATOM 0 HB3 ALA A 15 -1.202 -18.060 2.523 1.00 72.51 H new ATOM 250 N ASP A 16 -2.198 -16.395 0.523 1.00 30.22 N ATOM 251 CA ASP A 16 -3.273 -15.491 0.092 1.00 21.24 C ATOM 252 C ASP A 16 -2.858 -14.643 -1.131 1.00 44.52 C ATOM 253 O ASP A 16 -2.522 -13.459 -1.002 1.00 73.01 O ATOM 254 CB ASP A 16 -3.680 -14.573 1.252 1.00 61.01 C ATOM 255 CG ASP A 16 -4.033 -15.354 2.502 1.00 11.21 C ATOM 256 OD1 ASP A 16 -5.214 -15.733 2.658 1.00 50.52 O ATOM 257 OD2 ASP A 16 -3.128 -15.610 3.324 1.00 30.43 O ATOM 0 H ASP A 16 -1.682 -16.066 1.339 1.00 30.22 H new ATOM 0 HA ASP A 16 -4.122 -16.106 -0.206 1.00 21.24 H new ATOM 0 HB2 ASP A 16 -2.863 -13.886 1.473 1.00 61.01 H new ATOM 0 HB3 ASP A 16 -4.534 -13.967 0.951 1.00 61.01 H new ATOM 262 N SER A 17 -2.884 -15.251 -2.317 1.00 43.23 N ATOM 263 CA SER A 17 -2.514 -14.552 -3.561 1.00 22.14 C ATOM 264 C SER A 17 -3.729 -13.882 -4.217 1.00 53.14 C ATOM 265 O SER A 17 -3.582 -13.093 -5.151 1.00 51.11 O ATOM 266 CB SER A 17 -1.871 -15.528 -4.557 1.00 44.14 C ATOM 267 OG SER A 17 -2.766 -16.575 -4.911 1.00 31.22 O ATOM 0 H SER A 17 -3.156 -16.225 -2.449 1.00 43.23 H new ATOM 0 HA SER A 17 -1.796 -13.777 -3.294 1.00 22.14 H new ATOM 0 HB2 SER A 17 -1.568 -14.988 -5.454 1.00 44.14 H new ATOM 0 HB3 SER A 17 -0.967 -15.953 -4.120 1.00 44.14 H new ATOM 0 HG SER A 17 -2.328 -17.178 -5.547 1.00 31.22 H new ATOM 273 N THR A 18 -4.927 -14.206 -3.733 1.00 53.41 N ATOM 274 CA THR A 18 -6.169 -13.612 -4.256 1.00 4.42 C ATOM 275 C THR A 18 -6.710 -12.512 -3.330 1.00 42.41 C ATOM 276 O THR A 18 -7.658 -11.806 -3.679 1.00 10.14 O ATOM 277 CB THR A 18 -7.276 -14.676 -4.444 1.00 33.31 C ATOM 278 OG1 THR A 18 -7.609 -15.266 -3.179 1.00 24.13 O ATOM 279 CG2 THR A 18 -6.836 -15.768 -5.416 1.00 11.53 C ATOM 0 H THR A 18 -5.070 -14.877 -2.978 1.00 53.41 H new ATOM 0 HA THR A 18 -5.910 -13.179 -5.222 1.00 4.42 H new ATOM 0 HB THR A 18 -8.152 -14.178 -4.860 1.00 33.31 H new ATOM 0 HG1 THR A 18 -8.312 -15.937 -3.306 1.00 24.13 H new ATOM 0 HG21 THR A 18 -7.636 -16.500 -5.527 1.00 11.53 H new ATOM 0 HG22 THR A 18 -6.614 -15.324 -6.386 1.00 11.53 H new ATOM 0 HG23 THR A 18 -5.944 -16.261 -5.030 1.00 11.53 H new ATOM 287 N ARG A 19 -6.116 -12.381 -2.142 1.00 64.13 N ATOM 288 CA ARG A 19 -6.521 -11.343 -1.179 1.00 30.32 C ATOM 289 C ARG A 19 -5.565 -10.136 -1.239 1.00 42.13 C ATOM 290 O ARG A 19 -5.987 -9.006 -1.474 1.00 41.24 O ATOM 291 CB ARG A 19 -6.546 -11.921 0.248 1.00 63.53 C ATOM 292 CG ARG A 19 -7.357 -11.083 1.237 1.00 12.12 C ATOM 293 CD ARG A 19 -7.264 -11.614 2.665 1.00 12.22 C ATOM 294 NE ARG A 19 -5.993 -11.267 3.298 1.00 43.34 N ATOM 295 CZ ARG A 19 -5.457 -11.922 4.292 1.00 33.04 C ATOM 296 NH1 ARG A 19 -6.002 -13.004 4.749 1.00 4.23 N ATOM 297 NH2 ARG A 19 -4.362 -11.496 4.821 1.00 52.45 N ATOM 0 H ARG A 19 -5.354 -12.977 -1.820 1.00 64.13 H new ATOM 0 HA ARG A 19 -7.522 -11.005 -1.445 1.00 30.32 H new ATOM 0 HB2 ARG A 19 -6.960 -12.929 0.215 1.00 63.53 H new ATOM 0 HB3 ARG A 19 -5.523 -12.008 0.613 1.00 63.53 H new ATOM 0 HG2 ARG A 19 -7.002 -10.053 1.212 1.00 12.12 H new ATOM 0 HG3 ARG A 19 -8.401 -11.068 0.925 1.00 12.12 H new ATOM 0 HD2 ARG A 19 -8.086 -11.209 3.256 1.00 12.22 H new ATOM 0 HD3 ARG A 19 -7.381 -12.698 2.657 1.00 12.22 H new ATOM 0 HE ARG A 19 -5.490 -10.456 2.938 1.00 43.34 H new ATOM 0 HH11 ARG A 19 -6.863 -13.357 4.332 1.00 4.23 H new ATOM 0 HH12 ARG A 19 -5.570 -13.504 5.526 1.00 4.23 H new ATOM 0 HH21 ARG A 19 -3.918 -10.650 4.463 1.00 52.45 H new ATOM 0 HH22 ARG A 19 -3.939 -12.004 5.598 1.00 52.45 H new ATOM 311 N LEU A 20 -4.274 -10.398 -0.992 1.00 71.22 N ATOM 312 CA LEU A 20 -3.195 -9.388 -1.089 1.00 51.24 C ATOM 313 C LEU A 20 -3.257 -8.318 0.027 1.00 14.25 C ATOM 314 O LEU A 20 -2.280 -7.607 0.263 1.00 12.34 O ATOM 315 CB LEU A 20 -3.161 -8.709 -2.478 1.00 1.11 C ATOM 316 CG LEU A 20 -2.905 -9.643 -3.687 1.00 4.25 C ATOM 317 CD1 LEU A 20 -4.207 -10.237 -4.214 1.00 52.20 C ATOM 318 CD2 LEU A 20 -2.171 -8.907 -4.805 1.00 11.22 C ATOM 0 H LEU A 20 -3.940 -11.322 -0.717 1.00 71.22 H new ATOM 0 HA LEU A 20 -2.268 -9.945 -0.951 1.00 51.24 H new ATOM 0 HB2 LEU A 20 -4.112 -8.199 -2.634 1.00 1.11 H new ATOM 0 HB3 LEU A 20 -2.386 -7.943 -2.466 1.00 1.11 H new ATOM 0 HG LEU A 20 -2.273 -10.460 -3.338 1.00 4.25 H new ATOM 0 HD11 LEU A 20 -3.993 -10.888 -5.062 1.00 52.20 H new ATOM 0 HD12 LEU A 20 -4.689 -10.815 -3.425 1.00 52.20 H new ATOM 0 HD13 LEU A 20 -4.871 -9.433 -4.532 1.00 52.20 H new ATOM 0 HD21 LEU A 20 -2.005 -9.587 -5.640 1.00 11.22 H new ATOM 0 HD22 LEU A 20 -2.772 -8.061 -5.139 1.00 11.22 H new ATOM 0 HD23 LEU A 20 -1.211 -8.546 -4.434 1.00 11.22 H new ATOM 330 N VAL A 21 -4.392 -8.210 0.712 1.00 3.14 N ATOM 331 CA VAL A 21 -4.544 -7.273 1.833 1.00 60.13 C ATOM 332 C VAL A 21 -4.058 -7.892 3.156 1.00 74.40 C ATOM 333 O VAL A 21 -4.217 -9.095 3.388 1.00 20.10 O ATOM 334 CB VAL A 21 -6.025 -6.837 1.986 1.00 72.10 C ATOM 335 CG1 VAL A 21 -6.227 -5.966 3.228 1.00 54.13 C ATOM 336 CG2 VAL A 21 -6.496 -6.103 0.733 1.00 12.33 C ATOM 0 H VAL A 21 -5.227 -8.761 0.513 1.00 3.14 H new ATOM 0 HA VAL A 21 -3.929 -6.401 1.609 1.00 60.13 H new ATOM 0 HB VAL A 21 -6.627 -7.737 2.112 1.00 72.10 H new ATOM 0 HG11 VAL A 21 -7.276 -5.679 3.304 1.00 54.13 H new ATOM 0 HG12 VAL A 21 -5.939 -6.527 4.117 1.00 54.13 H new ATOM 0 HG13 VAL A 21 -5.610 -5.071 3.149 1.00 54.13 H new ATOM 0 HG21 VAL A 21 -7.537 -5.804 0.856 1.00 12.33 H new ATOM 0 HG22 VAL A 21 -5.880 -5.217 0.577 1.00 12.33 H new ATOM 0 HG23 VAL A 21 -6.408 -6.763 -0.130 1.00 12.33 H new ATOM 346 N THR A 22 -3.456 -7.065 4.011 1.00 63.02 N ATOM 347 CA THR A 22 -2.942 -7.516 5.313 1.00 45.42 C ATOM 348 C THR A 22 -3.099 -6.424 6.383 1.00 30.12 C ATOM 349 O THR A 22 -2.333 -5.461 6.414 1.00 43.23 O ATOM 350 CB THR A 22 -1.441 -7.895 5.219 1.00 53.51 C ATOM 351 OG1 THR A 22 -1.219 -8.774 4.109 1.00 63.42 O ATOM 352 CG2 THR A 22 -0.953 -8.566 6.501 1.00 73.41 C ATOM 0 H THR A 22 -3.310 -6.072 3.827 1.00 63.02 H new ATOM 0 HA THR A 22 -3.527 -8.391 5.596 1.00 45.42 H new ATOM 0 HB THR A 22 -0.878 -6.973 5.076 1.00 53.51 H new ATOM 0 HG1 THR A 22 -0.268 -9.005 4.060 1.00 63.42 H new ATOM 0 HG21 THR A 22 0.103 -8.818 6.401 1.00 73.41 H new ATOM 0 HG22 THR A 22 -1.085 -7.884 7.341 1.00 73.41 H new ATOM 0 HG23 THR A 22 -1.528 -9.475 6.677 1.00 73.41 H new ATOM 360 N ASP A 23 -4.091 -6.568 7.256 1.00 15.02 N ATOM 361 CA ASP A 23 -4.303 -5.608 8.346 1.00 13.20 C ATOM 362 C ASP A 23 -3.811 -6.166 9.691 1.00 63.21 C ATOM 363 O ASP A 23 -4.402 -7.095 10.248 1.00 32.43 O ATOM 364 CB ASP A 23 -5.786 -5.218 8.445 1.00 3.02 C ATOM 365 CG ASP A 23 -6.060 -4.256 9.598 1.00 45.43 C ATOM 366 OD1 ASP A 23 -5.808 -3.038 9.446 1.00 74.10 O ATOM 367 OD2 ASP A 23 -6.515 -4.714 10.666 1.00 1.13 O ATOM 0 H ASP A 23 -4.762 -7.336 7.234 1.00 15.02 H new ATOM 0 HA ASP A 23 -3.719 -4.717 8.116 1.00 13.20 H new ATOM 0 HB2 ASP A 23 -6.101 -4.757 7.509 1.00 3.02 H new ATOM 0 HB3 ASP A 23 -6.387 -6.118 8.576 1.00 3.02 H new ATOM 372 N GLU A 24 -2.719 -5.599 10.195 1.00 13.42 N ATOM 373 CA GLU A 24 -2.202 -5.932 11.529 1.00 63.42 C ATOM 374 C GLU A 24 -2.367 -4.743 12.488 1.00 51.03 C ATOM 375 O GLU A 24 -2.509 -4.919 13.698 1.00 25.12 O ATOM 376 CB GLU A 24 -0.723 -6.347 11.446 1.00 61.43 C ATOM 377 CG GLU A 24 -0.486 -7.689 10.755 1.00 70.32 C ATOM 378 CD GLU A 24 -0.977 -8.874 11.579 1.00 1.24 C ATOM 379 OE1 GLU A 24 -2.190 -9.168 11.559 1.00 21.23 O ATOM 380 OE2 GLU A 24 -0.147 -9.524 12.250 1.00 32.14 O ATOM 0 H GLU A 24 -2.167 -4.900 9.698 1.00 13.42 H new ATOM 0 HA GLU A 24 -2.779 -6.772 11.917 1.00 63.42 H new ATOM 0 HB2 GLU A 24 -0.170 -5.574 10.913 1.00 61.43 H new ATOM 0 HB3 GLU A 24 -0.313 -6.393 12.455 1.00 61.43 H new ATOM 0 HG2 GLU A 24 -0.992 -7.689 9.790 1.00 70.32 H new ATOM 0 HG3 GLU A 24 0.579 -7.807 10.557 1.00 70.32 H new ATOM 387 N ALA A 25 -2.325 -3.530 11.937 1.00 51.44 N ATOM 388 CA ALA A 25 -2.564 -2.306 12.714 1.00 3.13 C ATOM 389 C ALA A 25 -3.943 -2.293 13.393 1.00 33.10 C ATOM 390 O ALA A 25 -4.107 -1.716 14.472 1.00 73.11 O ATOM 391 CB ALA A 25 -2.416 -1.085 11.815 1.00 74.24 C ATOM 0 H ALA A 25 -2.127 -3.365 10.950 1.00 51.44 H new ATOM 0 HA ALA A 25 -1.817 -2.279 13.508 1.00 3.13 H new ATOM 0 HB1 ALA A 25 -2.594 -0.181 12.397 1.00 74.24 H new ATOM 0 HB2 ALA A 25 -1.408 -1.057 11.402 1.00 74.24 H new ATOM 0 HB3 ALA A 25 -3.140 -1.142 11.002 1.00 74.24 H new ATOM 397 N GLY A 26 -4.932 -2.928 12.767 1.00 54.42 N ATOM 398 CA GLY A 26 -6.295 -2.892 13.289 1.00 74.32 C ATOM 399 C GLY A 26 -7.030 -1.619 12.893 1.00 75.41 C ATOM 400 O GLY A 26 -7.964 -1.182 13.572 1.00 24.30 O ATOM 0 H GLY A 26 -4.817 -3.467 11.909 1.00 54.42 H new ATOM 0 HA2 GLY A 26 -6.846 -3.757 12.920 1.00 74.32 H new ATOM 0 HA3 GLY A 26 -6.268 -2.971 14.376 1.00 74.32 H new ATOM 404 N LEU A 27 -6.609 -1.026 11.779 1.00 24.13 N ATOM 405 CA LEU A 27 -7.184 0.233 11.301 1.00 62.41 C ATOM 406 C LEU A 27 -8.266 -0.020 10.245 1.00 61.31 C ATOM 407 O LEU A 27 -9.256 0.709 10.171 1.00 25.30 O ATOM 408 CB LEU A 27 -6.079 1.131 10.729 1.00 62.11 C ATOM 409 CG LEU A 27 -5.001 1.559 11.743 1.00 24.30 C ATOM 410 CD1 LEU A 27 -3.904 2.367 11.060 1.00 1.55 C ATOM 411 CD2 LEU A 27 -5.621 2.354 12.892 1.00 42.21 C ATOM 0 H LEU A 27 -5.867 -1.398 11.186 1.00 24.13 H new ATOM 0 HA LEU A 27 -7.652 0.738 12.146 1.00 62.41 H new ATOM 0 HB2 LEU A 27 -5.595 0.606 9.906 1.00 62.11 H new ATOM 0 HB3 LEU A 27 -6.539 2.026 10.310 1.00 62.11 H new ATOM 0 HG LEU A 27 -4.551 0.657 12.157 1.00 24.30 H new ATOM 0 HD11 LEU A 27 -3.154 2.658 11.796 1.00 1.55 H new ATOM 0 HD12 LEU A 27 -3.435 1.761 10.285 1.00 1.55 H new ATOM 0 HD13 LEU A 27 -4.337 3.261 10.610 1.00 1.55 H new ATOM 0 HD21 LEU A 27 -4.841 2.645 13.595 1.00 42.21 H new ATOM 0 HD22 LEU A 27 -6.105 3.247 12.497 1.00 42.21 H new ATOM 0 HD23 LEU A 27 -6.359 1.737 13.404 1.00 42.21 H new ATOM 423 N LEU A 28 -8.083 -1.065 9.445 1.00 5.24 N ATOM 424 CA LEU A 28 -9.071 -1.441 8.432 1.00 54.22 C ATOM 425 C LEU A 28 -10.216 -2.265 9.046 1.00 75.22 C ATOM 426 O LEU A 28 -10.278 -2.465 10.259 1.00 2.15 O ATOM 427 CB LEU A 28 -8.397 -2.232 7.299 1.00 34.12 C ATOM 428 CG LEU A 28 -7.341 -1.454 6.490 1.00 54.53 C ATOM 429 CD1 LEU A 28 -6.707 -2.347 5.424 1.00 32.44 C ATOM 430 CD2 LEU A 28 -7.959 -0.207 5.856 1.00 42.20 C ATOM 0 H LEU A 28 -7.261 -1.668 9.476 1.00 5.24 H new ATOM 0 HA LEU A 28 -9.497 -0.525 8.023 1.00 54.22 H new ATOM 0 HB2 LEU A 28 -7.924 -3.116 7.727 1.00 34.12 H new ATOM 0 HB3 LEU A 28 -9.169 -2.583 6.614 1.00 34.12 H new ATOM 0 HG LEU A 28 -6.555 -1.135 7.174 1.00 54.53 H new ATOM 0 HD11 LEU A 28 -5.965 -1.776 4.866 1.00 32.44 H new ATOM 0 HD12 LEU A 28 -6.224 -3.199 5.903 1.00 32.44 H new ATOM 0 HD13 LEU A 28 -7.479 -2.704 4.742 1.00 32.44 H new ATOM 0 HD21 LEU A 28 -7.197 0.329 5.289 1.00 42.20 H new ATOM 0 HD22 LEU A 28 -8.768 -0.502 5.188 1.00 42.20 H new ATOM 0 HD23 LEU A 28 -8.352 0.442 6.638 1.00 42.20 H new ATOM 442 N SER A 29 -11.126 -2.728 8.198 1.00 22.02 N ATOM 443 CA SER A 29 -12.261 -3.555 8.635 1.00 64.33 C ATOM 444 C SER A 29 -12.711 -4.463 7.490 1.00 30.32 C ATOM 445 O SER A 29 -12.444 -4.157 6.332 1.00 44.41 O ATOM 446 CB SER A 29 -13.428 -2.672 9.101 1.00 61.43 C ATOM 447 OG SER A 29 -14.516 -3.454 9.569 1.00 35.13 O ATOM 0 H SER A 29 -11.106 -2.547 7.194 1.00 22.02 H new ATOM 0 HA SER A 29 -11.941 -4.170 9.476 1.00 64.33 H new ATOM 0 HB2 SER A 29 -13.088 -2.007 9.895 1.00 61.43 H new ATOM 0 HB3 SER A 29 -13.760 -2.041 8.277 1.00 61.43 H new ATOM 0 HG SER A 29 -15.242 -2.864 9.860 1.00 35.13 H new ATOM 453 N ASN A 30 -13.407 -5.557 7.809 1.00 34.11 N ATOM 454 CA ASN A 30 -13.778 -6.576 6.805 1.00 71.15 C ATOM 455 C ASN A 30 -14.325 -5.953 5.506 1.00 41.20 C ATOM 456 O ASN A 30 -13.886 -6.306 4.413 1.00 44.02 O ATOM 457 CB ASN A 30 -14.807 -7.552 7.388 1.00 73.23 C ATOM 458 CG ASN A 30 -15.179 -8.657 6.412 1.00 50.00 C ATOM 459 OD1 ASN A 30 -14.369 -9.090 5.596 1.00 62.33 O ATOM 460 ND2 ASN A 30 -16.409 -9.119 6.482 1.00 51.41 N ATOM 0 H ASN A 30 -13.729 -5.766 8.754 1.00 34.11 H new ATOM 0 HA ASN A 30 -12.865 -7.115 6.550 1.00 71.15 H new ATOM 0 HB2 ASN A 30 -14.406 -7.996 8.299 1.00 73.23 H new ATOM 0 HB3 ASN A 30 -15.705 -7.003 7.670 1.00 73.23 H new ATOM 0 HD21 ASN A 30 -16.713 -9.857 5.848 1.00 51.41 H new ATOM 0 HD22 ASN A 30 -17.058 -8.739 7.171 1.00 51.41 H new ATOM 467 N ALA A 31 -15.271 -5.023 5.632 1.00 41.54 N ATOM 468 CA ALA A 31 -15.835 -4.331 4.467 1.00 35.20 C ATOM 469 C ALA A 31 -14.747 -3.617 3.645 1.00 33.13 C ATOM 470 O ALA A 31 -14.591 -3.869 2.450 1.00 1.14 O ATOM 471 CB ALA A 31 -16.901 -3.337 4.913 1.00 72.44 C ATOM 0 H ALA A 31 -15.664 -4.730 6.526 1.00 41.54 H new ATOM 0 HA ALA A 31 -16.292 -5.082 3.823 1.00 35.20 H new ATOM 0 HB1 ALA A 31 -17.313 -2.829 4.041 1.00 72.44 H new ATOM 0 HB2 ALA A 31 -17.698 -3.868 5.434 1.00 72.44 H new ATOM 0 HB3 ALA A 31 -16.456 -2.602 5.584 1.00 72.44 H new ATOM 477 N GLN A 32 -13.985 -2.741 4.302 1.00 55.22 N ATOM 478 CA GLN A 32 -12.897 -2.003 3.642 1.00 22.15 C ATOM 479 C GLN A 32 -11.874 -2.957 3.007 1.00 31.24 C ATOM 480 O GLN A 32 -11.416 -2.740 1.883 1.00 10.43 O ATOM 481 CB GLN A 32 -12.189 -1.089 4.655 1.00 75.23 C ATOM 482 CG GLN A 32 -13.066 0.032 5.213 1.00 33.24 C ATOM 483 CD GLN A 32 -13.380 1.120 4.192 1.00 11.13 C ATOM 484 OE1 GLN A 32 -13.450 0.873 2.991 1.00 3.51 O ATOM 485 NE2 GLN A 32 -13.570 2.336 4.665 1.00 11.05 N ATOM 0 H GLN A 32 -14.098 -2.522 5.292 1.00 55.22 H new ATOM 0 HA GLN A 32 -13.339 -1.400 2.849 1.00 22.15 H new ATOM 0 HB2 GLN A 32 -11.827 -1.697 5.484 1.00 75.23 H new ATOM 0 HB3 GLN A 32 -11.314 -0.647 4.178 1.00 75.23 H new ATOM 0 HG2 GLN A 32 -14.000 -0.395 5.577 1.00 33.24 H new ATOM 0 HG3 GLN A 32 -12.566 0.482 6.070 1.00 33.24 H new ATOM 0 HE21 GLN A 32 -13.505 2.509 5.668 1.00 11.05 H new ATOM 0 HE22 GLN A 32 -13.782 3.104 4.028 1.00 11.05 H new ATOM 494 N GLU A 33 -11.528 -4.014 3.736 1.00 60.50 N ATOM 495 CA GLU A 33 -10.572 -5.015 3.261 1.00 2.03 C ATOM 496 C GLU A 33 -11.104 -5.763 2.032 1.00 24.23 C ATOM 497 O GLU A 33 -10.395 -5.921 1.046 1.00 54.30 O ATOM 498 CB GLU A 33 -10.243 -6.015 4.382 1.00 11.53 C ATOM 499 CG GLU A 33 -9.486 -5.399 5.558 1.00 1.53 C ATOM 500 CD GLU A 33 -9.245 -6.386 6.694 1.00 13.23 C ATOM 501 OE1 GLU A 33 -8.555 -7.405 6.469 1.00 41.22 O ATOM 502 OE2 GLU A 33 -9.754 -6.155 7.813 1.00 42.42 O ATOM 0 H GLU A 33 -11.899 -4.202 4.667 1.00 60.50 H new ATOM 0 HA GLU A 33 -9.663 -4.490 2.969 1.00 2.03 H new ATOM 0 HB2 GLU A 33 -11.171 -6.453 4.749 1.00 11.53 H new ATOM 0 HB3 GLU A 33 -9.649 -6.829 3.967 1.00 11.53 H new ATOM 0 HG2 GLU A 33 -8.527 -5.018 5.206 1.00 1.53 H new ATOM 0 HG3 GLU A 33 -10.048 -4.546 5.938 1.00 1.53 H new ATOM 509 N GLU A 34 -12.360 -6.202 2.088 1.00 74.31 N ATOM 510 CA GLU A 34 -12.966 -6.963 0.987 1.00 62.20 C ATOM 511 C GLU A 34 -13.105 -6.105 -0.283 1.00 15.41 C ATOM 512 O GLU A 34 -12.852 -6.576 -1.397 1.00 10.13 O ATOM 513 CB GLU A 34 -14.330 -7.522 1.417 1.00 61.03 C ATOM 514 CG GLU A 34 -14.970 -8.457 0.393 1.00 61.25 C ATOM 515 CD GLU A 34 -14.077 -9.633 0.021 1.00 63.43 C ATOM 516 OE1 GLU A 34 -13.650 -10.375 0.929 1.00 50.23 O ATOM 517 OE2 GLU A 34 -13.787 -9.815 -1.181 1.00 64.42 O ATOM 0 H GLU A 34 -12.981 -6.046 2.882 1.00 74.31 H new ATOM 0 HA GLU A 34 -12.304 -7.795 0.748 1.00 62.20 H new ATOM 0 HB2 GLU A 34 -14.211 -8.058 2.358 1.00 61.03 H new ATOM 0 HB3 GLU A 34 -15.008 -6.690 1.608 1.00 61.03 H new ATOM 0 HG2 GLU A 34 -15.911 -8.835 0.793 1.00 61.25 H new ATOM 0 HG3 GLU A 34 -15.210 -7.891 -0.507 1.00 61.25 H new ATOM 524 N VAL A 35 -13.504 -4.846 -0.118 1.00 13.23 N ATOM 525 CA VAL A 35 -13.559 -3.908 -1.244 1.00 32.55 C ATOM 526 C VAL A 35 -12.155 -3.692 -1.833 1.00 62.01 C ATOM 527 O VAL A 35 -11.979 -3.620 -3.053 1.00 20.12 O ATOM 528 CB VAL A 35 -14.167 -2.544 -0.824 1.00 24.14 C ATOM 529 CG1 VAL A 35 -14.179 -1.563 -1.997 1.00 42.25 C ATOM 530 CG2 VAL A 35 -15.577 -2.733 -0.267 1.00 51.10 C ATOM 0 H VAL A 35 -13.793 -4.451 0.777 1.00 13.23 H new ATOM 0 HA VAL A 35 -14.206 -4.348 -2.003 1.00 32.55 H new ATOM 0 HB VAL A 35 -13.539 -2.123 -0.039 1.00 24.14 H new ATOM 0 HG11 VAL A 35 -14.610 -0.615 -1.674 1.00 42.25 H new ATOM 0 HG12 VAL A 35 -13.159 -1.398 -2.344 1.00 42.25 H new ATOM 0 HG13 VAL A 35 -14.776 -1.975 -2.810 1.00 42.25 H new ATOM 0 HG21 VAL A 35 -15.987 -1.765 0.022 1.00 51.10 H new ATOM 0 HG22 VAL A 35 -16.212 -3.183 -1.030 1.00 51.10 H new ATOM 0 HG23 VAL A 35 -15.539 -3.386 0.605 1.00 51.10 H new ATOM 540 N MET A 36 -11.156 -3.607 -0.955 1.00 73.01 N ATOM 541 CA MET A 36 -9.758 -3.492 -1.380 1.00 62.52 C ATOM 542 C MET A 36 -9.274 -4.794 -2.047 1.00 12.42 C ATOM 543 O MET A 36 -8.518 -4.753 -3.016 1.00 61.20 O ATOM 544 CB MET A 36 -8.870 -3.131 -0.180 1.00 2.03 C ATOM 545 CG MET A 36 -7.426 -2.820 -0.550 1.00 44.01 C ATOM 546 SD MET A 36 -6.435 -2.317 0.872 1.00 53.11 S ATOM 547 CE MET A 36 -7.301 -0.841 1.406 1.00 73.23 C ATOM 0 H MET A 36 -11.287 -3.615 0.056 1.00 73.01 H new ATOM 0 HA MET A 36 -9.687 -2.695 -2.120 1.00 62.52 H new ATOM 0 HB2 MET A 36 -9.298 -2.267 0.329 1.00 2.03 H new ATOM 0 HB3 MET A 36 -8.882 -3.958 0.530 1.00 2.03 H new ATOM 0 HG2 MET A 36 -6.975 -3.700 -1.009 1.00 44.01 H new ATOM 0 HG3 MET A 36 -7.410 -2.027 -1.298 1.00 44.01 H new ATOM 0 HE1 MET A 36 -6.578 -0.089 1.721 1.00 73.23 H new ATOM 0 HE2 MET A 36 -7.896 -0.450 0.581 1.00 73.23 H new ATOM 0 HE3 MET A 36 -7.957 -1.086 2.242 1.00 73.23 H new ATOM 557 N ASN A 37 -9.733 -5.942 -1.531 1.00 45.02 N ATOM 558 CA ASN A 37 -9.427 -7.252 -2.128 1.00 43.02 C ATOM 559 C ASN A 37 -9.859 -7.285 -3.596 1.00 11.15 C ATOM 560 O ASN A 37 -9.107 -7.713 -4.466 1.00 12.42 O ATOM 561 CB ASN A 37 -10.136 -8.391 -1.373 1.00 62.22 C ATOM 562 CG ASN A 37 -9.638 -8.589 0.049 1.00 53.21 C ATOM 563 OD1 ASN A 37 -8.490 -8.316 0.365 1.00 30.43 O ATOM 564 ND2 ASN A 37 -10.497 -9.092 0.918 1.00 73.02 N ATOM 0 H ASN A 37 -10.320 -5.991 -0.698 1.00 45.02 H new ATOM 0 HA ASN A 37 -8.349 -7.398 -2.057 1.00 43.02 H new ATOM 0 HB2 ASN A 37 -11.206 -8.186 -1.348 1.00 62.22 H new ATOM 0 HB3 ASN A 37 -10.002 -9.320 -1.927 1.00 62.22 H new ATOM 0 HD21 ASN A 37 -10.208 -9.262 1.881 1.00 73.02 H new ATOM 0 HD22 ASN A 37 -11.449 -9.310 0.626 1.00 73.02 H new ATOM 571 N GLY A 38 -11.082 -6.827 -3.860 1.00 71.32 N ATOM 572 CA GLY A 38 -11.579 -6.756 -5.229 1.00 41.22 C ATOM 573 C GLY A 38 -10.718 -5.871 -6.125 1.00 41.34 C ATOM 574 O GLY A 38 -10.497 -6.186 -7.294 1.00 52.43 O ATOM 0 H GLY A 38 -11.739 -6.503 -3.151 1.00 71.32 H new ATOM 0 HA2 GLY A 38 -11.619 -7.761 -5.649 1.00 41.22 H new ATOM 0 HA3 GLY A 38 -12.600 -6.373 -5.221 1.00 41.22 H new ATOM 578 N ARG A 39 -10.222 -4.766 -5.567 1.00 50.31 N ATOM 579 CA ARG A 39 -9.335 -3.854 -6.300 1.00 14.11 C ATOM 580 C ARG A 39 -7.993 -4.529 -6.633 1.00 44.22 C ATOM 581 O ARG A 39 -7.590 -4.593 -7.795 1.00 41.03 O ATOM 582 CB ARG A 39 -9.097 -2.575 -5.477 1.00 24.01 C ATOM 583 CG ARG A 39 -10.348 -1.715 -5.296 1.00 53.24 C ATOM 584 CD ARG A 39 -10.084 -0.497 -4.412 1.00 63.43 C ATOM 585 NE ARG A 39 -11.270 0.351 -4.285 1.00 62.20 N ATOM 586 CZ ARG A 39 -11.754 0.794 -3.154 1.00 12.04 C ATOM 587 NH1 ARG A 39 -11.199 0.479 -2.025 1.00 33.33 N ATOM 588 NH2 ARG A 39 -12.807 1.543 -3.160 1.00 54.25 N ATOM 0 H ARG A 39 -10.418 -4.478 -4.608 1.00 50.31 H new ATOM 0 HA ARG A 39 -9.821 -3.591 -7.240 1.00 14.11 H new ATOM 0 HB2 ARG A 39 -8.713 -2.852 -4.495 1.00 24.01 H new ATOM 0 HB3 ARG A 39 -8.325 -1.979 -5.964 1.00 24.01 H new ATOM 0 HG2 ARG A 39 -10.704 -1.384 -6.272 1.00 53.24 H new ATOM 0 HG3 ARG A 39 -11.141 -2.318 -4.854 1.00 53.24 H new ATOM 0 HD2 ARG A 39 -9.766 -0.828 -3.423 1.00 63.43 H new ATOM 0 HD3 ARG A 39 -9.264 0.086 -4.832 1.00 63.43 H new ATOM 0 HE ARG A 39 -11.755 0.616 -5.142 1.00 62.20 H new ATOM 0 HH11 ARG A 39 -10.374 -0.121 -2.012 1.00 33.33 H new ATOM 0 HH12 ARG A 39 -11.587 0.832 -1.150 1.00 33.33 H new ATOM 0 HH21 ARG A 39 -13.255 1.785 -4.043 1.00 54.25 H new ATOM 0 HH22 ARG A 39 -13.190 1.892 -2.281 1.00 54.25 H new ATOM 602 N LEU A 40 -7.317 -5.053 -5.608 1.00 42.43 N ATOM 603 CA LEU A 40 -6.015 -5.714 -5.790 1.00 60.31 C ATOM 604 C LEU A 40 -6.137 -6.961 -6.677 1.00 63.34 C ATOM 605 O LEU A 40 -5.301 -7.201 -7.546 1.00 33.25 O ATOM 606 CB LEU A 40 -5.420 -6.097 -4.428 1.00 22.42 C ATOM 607 CG LEU A 40 -5.213 -4.927 -3.453 1.00 24.50 C ATOM 608 CD1 LEU A 40 -4.617 -5.419 -2.136 1.00 30.53 C ATOM 609 CD2 LEU A 40 -4.329 -3.851 -4.080 1.00 42.22 C ATOM 0 H LEU A 40 -7.646 -5.034 -4.643 1.00 42.43 H new ATOM 0 HA LEU A 40 -5.351 -5.008 -6.289 1.00 60.31 H new ATOM 0 HB2 LEU A 40 -6.074 -6.831 -3.957 1.00 22.42 H new ATOM 0 HB3 LEU A 40 -4.460 -6.586 -4.593 1.00 22.42 H new ATOM 0 HG LEU A 40 -6.186 -4.485 -3.240 1.00 24.50 H new ATOM 0 HD11 LEU A 40 -4.479 -4.574 -1.461 1.00 30.53 H new ATOM 0 HD12 LEU A 40 -5.292 -6.142 -1.679 1.00 30.53 H new ATOM 0 HD13 LEU A 40 -3.654 -5.892 -2.327 1.00 30.53 H new ATOM 0 HD21 LEU A 40 -4.195 -3.032 -3.373 1.00 42.22 H new ATOM 0 HD22 LEU A 40 -3.357 -4.278 -4.329 1.00 42.22 H new ATOM 0 HD23 LEU A 40 -4.802 -3.474 -4.987 1.00 42.22 H new ATOM 621 N ARG A 41 -7.182 -7.750 -6.445 1.00 42.11 N ATOM 622 CA ARG A 41 -7.471 -8.935 -7.263 1.00 43.32 C ATOM 623 C ARG A 41 -7.738 -8.550 -8.731 1.00 14.43 C ATOM 624 O ARG A 41 -7.284 -9.230 -9.655 1.00 11.40 O ATOM 625 CB ARG A 41 -8.666 -9.697 -6.669 1.00 4.13 C ATOM 626 CG ARG A 41 -9.170 -10.853 -7.530 1.00 5.41 C ATOM 627 CD ARG A 41 -10.170 -11.729 -6.777 1.00 54.12 C ATOM 628 NE ARG A 41 -11.200 -10.942 -6.100 1.00 44.13 N ATOM 629 CZ ARG A 41 -12.476 -11.009 -6.363 1.00 31.42 C ATOM 630 NH1 ARG A 41 -12.920 -11.770 -7.305 1.00 52.15 N ATOM 631 NH2 ARG A 41 -13.312 -10.306 -5.676 1.00 22.22 N ATOM 0 H ARG A 41 -7.851 -7.592 -5.691 1.00 42.11 H new ATOM 0 HA ARG A 41 -6.596 -9.585 -7.252 1.00 43.32 H new ATOM 0 HB2 ARG A 41 -8.383 -10.085 -5.691 1.00 4.13 H new ATOM 0 HB3 ARG A 41 -9.485 -8.996 -6.509 1.00 4.13 H new ATOM 0 HG2 ARG A 41 -9.640 -10.457 -8.430 1.00 5.41 H new ATOM 0 HG3 ARG A 41 -8.325 -11.461 -7.852 1.00 5.41 H new ATOM 0 HD2 ARG A 41 -10.644 -12.418 -7.476 1.00 54.12 H new ATOM 0 HD3 ARG A 41 -9.638 -12.335 -6.043 1.00 54.12 H new ATOM 0 HE ARG A 41 -10.900 -10.295 -5.371 1.00 44.13 H new ATOM 0 HH11 ARG A 41 -12.270 -12.331 -7.857 1.00 52.15 H new ATOM 0 HH12 ARG A 41 -13.921 -11.811 -7.498 1.00 52.15 H new ATOM 0 HH21 ARG A 41 -12.975 -9.699 -4.929 1.00 22.22 H new ATOM 0 HH22 ARG A 41 -14.310 -10.357 -5.880 1.00 22.22 H new ATOM 645 N ALA A 42 -8.465 -7.451 -8.938 1.00 71.22 N ATOM 646 CA ALA A 42 -8.711 -6.931 -10.289 1.00 73.44 C ATOM 647 C ALA A 42 -7.390 -6.600 -11.000 1.00 13.31 C ATOM 648 O ALA A 42 -7.199 -6.938 -12.168 1.00 72.43 O ATOM 649 CB ALA A 42 -9.610 -5.698 -10.230 1.00 35.10 C ATOM 0 H ALA A 42 -8.894 -6.903 -8.192 1.00 71.22 H new ATOM 0 HA ALA A 42 -9.219 -7.706 -10.863 1.00 73.44 H new ATOM 0 HB1 ALA A 42 -9.783 -5.325 -11.240 1.00 35.10 H new ATOM 0 HB2 ALA A 42 -10.563 -5.964 -9.774 1.00 35.10 H new ATOM 0 HB3 ALA A 42 -9.127 -4.923 -9.635 1.00 35.10 H new ATOM 655 N ILE A 43 -6.477 -5.950 -10.281 1.00 40.13 N ATOM 656 CA ILE A 43 -5.142 -5.645 -10.810 1.00 33.33 C ATOM 657 C ILE A 43 -4.322 -6.934 -11.005 1.00 71.42 C ATOM 658 O ILE A 43 -3.596 -7.084 -11.991 1.00 62.33 O ATOM 659 CB ILE A 43 -4.368 -4.695 -9.863 1.00 72.15 C ATOM 660 CG1 ILE A 43 -5.211 -3.451 -9.541 1.00 15.41 C ATOM 661 CG2 ILE A 43 -3.030 -4.290 -10.481 1.00 64.54 C ATOM 662 CD1 ILE A 43 -4.553 -2.514 -8.552 1.00 73.40 C ATOM 0 H ILE A 43 -6.634 -5.622 -9.328 1.00 40.13 H new ATOM 0 HA ILE A 43 -5.282 -5.154 -11.773 1.00 33.33 H new ATOM 0 HB ILE A 43 -4.168 -5.227 -8.933 1.00 72.15 H new ATOM 0 HG12 ILE A 43 -5.411 -2.909 -10.465 1.00 15.41 H new ATOM 0 HG13 ILE A 43 -6.175 -3.768 -9.143 1.00 15.41 H new ATOM 0 HG21 ILE A 43 -2.502 -3.623 -9.800 1.00 64.54 H new ATOM 0 HG22 ILE A 43 -2.426 -5.180 -10.657 1.00 64.54 H new ATOM 0 HG23 ILE A 43 -3.206 -3.778 -11.427 1.00 64.54 H new ATOM 0 HD11 ILE A 43 -5.204 -1.659 -8.372 1.00 73.40 H new ATOM 0 HD12 ILE A 43 -4.378 -3.040 -7.614 1.00 73.40 H new ATOM 0 HD13 ILE A 43 -3.602 -2.167 -8.957 1.00 73.40 H new ATOM 674 N ARG A 44 -4.461 -7.859 -10.054 1.00 11.41 N ATOM 675 CA ARG A 44 -3.784 -9.163 -10.099 1.00 21.42 C ATOM 676 C ARG A 44 -4.171 -9.953 -11.360 1.00 53.33 C ATOM 677 O ARG A 44 -3.393 -10.764 -11.866 1.00 54.43 O ATOM 678 CB ARG A 44 -4.139 -9.973 -8.839 1.00 25.40 C ATOM 679 CG ARG A 44 -3.506 -11.363 -8.780 1.00 24.32 C ATOM 680 CD ARG A 44 -1.991 -11.299 -8.616 1.00 53.43 C ATOM 681 NE ARG A 44 -1.380 -12.626 -8.672 1.00 50.12 N ATOM 682 CZ ARG A 44 -0.492 -13.072 -7.830 1.00 34.30 C ATOM 683 NH1 ARG A 44 -0.117 -12.357 -6.820 1.00 24.12 N ATOM 684 NH2 ARG A 44 0.009 -14.250 -7.995 1.00 22.23 N ATOM 0 H ARG A 44 -5.046 -7.728 -9.229 1.00 11.41 H new ATOM 0 HA ARG A 44 -2.709 -8.989 -10.132 1.00 21.42 H new ATOM 0 HB2 ARG A 44 -3.828 -9.408 -7.960 1.00 25.40 H new ATOM 0 HB3 ARG A 44 -5.222 -10.078 -8.783 1.00 25.40 H new ATOM 0 HG2 ARG A 44 -3.937 -11.922 -7.949 1.00 24.32 H new ATOM 0 HG3 ARG A 44 -3.748 -11.910 -9.691 1.00 24.32 H new ATOM 0 HD2 ARG A 44 -1.567 -10.671 -9.400 1.00 53.43 H new ATOM 0 HD3 ARG A 44 -1.749 -10.828 -7.664 1.00 53.43 H new ATOM 0 HE ARG A 44 -1.671 -13.248 -9.426 1.00 50.12 H new ATOM 0 HH11 ARG A 44 -0.518 -11.430 -6.674 1.00 24.12 H new ATOM 0 HH12 ARG A 44 0.579 -12.720 -6.169 1.00 24.12 H new ATOM 0 HH21 ARG A 44 -0.291 -14.826 -8.781 1.00 22.23 H new ATOM 0 HH22 ARG A 44 0.705 -14.605 -7.339 1.00 22.23 H new ATOM 698 N SER A 45 -5.387 -9.724 -11.848 1.00 1.23 N ATOM 699 CA SER A 45 -5.852 -10.348 -13.092 1.00 34.34 C ATOM 700 C SER A 45 -5.603 -9.439 -14.304 1.00 64.34 C ATOM 701 O SER A 45 -4.784 -9.751 -15.164 1.00 51.43 O ATOM 702 CB SER A 45 -7.345 -10.687 -13.007 1.00 53.41 C ATOM 703 OG SER A 45 -7.818 -11.202 -14.242 1.00 52.01 O ATOM 0 H SER A 45 -6.071 -9.112 -11.404 1.00 1.23 H new ATOM 0 HA SER A 45 -5.281 -11.267 -13.223 1.00 34.34 H new ATOM 0 HB2 SER A 45 -7.512 -11.418 -12.216 1.00 53.41 H new ATOM 0 HB3 SER A 45 -7.910 -9.794 -12.740 1.00 53.41 H new ATOM 0 HG SER A 45 -8.772 -11.413 -14.165 1.00 52.01 H new ATOM 709 N SER A 46 -6.300 -8.301 -14.348 1.00 4.12 N ATOM 710 CA SER A 46 -6.235 -7.373 -15.494 1.00 23.13 C ATOM 711 C SER A 46 -4.791 -7.030 -15.887 1.00 30.31 C ATOM 712 O SER A 46 -4.351 -7.326 -17.001 1.00 33.51 O ATOM 713 CB SER A 46 -7.002 -6.081 -15.172 1.00 2.50 C ATOM 714 OG SER A 46 -6.887 -5.125 -16.216 1.00 24.44 O ATOM 0 H SER A 46 -6.922 -7.993 -13.600 1.00 4.12 H new ATOM 0 HA SER A 46 -6.697 -7.879 -16.342 1.00 23.13 H new ATOM 0 HB2 SER A 46 -8.054 -6.314 -15.007 1.00 2.50 H new ATOM 0 HB3 SER A 46 -6.621 -5.654 -14.244 1.00 2.50 H new ATOM 0 HG SER A 46 -7.389 -4.318 -15.977 1.00 24.44 H new ATOM 720 N HIS A 47 -4.052 -6.429 -14.961 1.00 51.21 N ATOM 721 CA HIS A 47 -2.676 -5.994 -15.229 1.00 73.44 C ATOM 722 C HIS A 47 -1.652 -7.050 -14.784 1.00 63.04 C ATOM 723 O HIS A 47 -0.446 -6.875 -14.968 1.00 42.10 O ATOM 724 CB HIS A 47 -2.414 -4.665 -14.514 1.00 51.52 C ATOM 725 CG HIS A 47 -3.483 -3.647 -14.770 1.00 12.24 C ATOM 726 ND1 HIS A 47 -3.549 -2.968 -15.957 1.00 42.13 N ATOM 727 CD2 HIS A 47 -4.524 -3.269 -13.988 1.00 33.44 C ATOM 728 CE1 HIS A 47 -4.619 -2.203 -15.880 1.00 3.44 C ATOM 729 NE2 HIS A 47 -5.245 -2.348 -14.705 1.00 3.40 N ATOM 0 H HIS A 47 -4.379 -6.229 -14.016 1.00 51.21 H new ATOM 0 HA HIS A 47 -2.561 -5.861 -16.305 1.00 73.44 H new ATOM 0 HB2 HIS A 47 -2.338 -4.844 -13.441 1.00 51.52 H new ATOM 0 HB3 HIS A 47 -1.453 -4.266 -14.839 1.00 51.52 H new ATOM 0 HD2 HIS A 47 -4.743 -3.625 -12.992 1.00 33.44 H new ATOM 0 HE1 HIS A 47 -4.950 -1.541 -16.667 1.00 3.44 H new ATOM 0 HE2 HIS A 47 -6.092 -1.868 -14.402 1.00 3.40 H new ATOM 737 N ALA A 48 -2.150 -8.137 -14.181 1.00 61.30 N ATOM 738 CA ALA A 48 -1.306 -9.249 -13.714 1.00 23.23 C ATOM 739 C ALA A 48 -0.334 -8.819 -12.601 1.00 42.14 C ATOM 740 O ALA A 48 0.581 -9.563 -12.242 1.00 33.42 O ATOM 741 CB ALA A 48 -0.545 -9.866 -14.885 1.00 24.42 C ATOM 0 H ALA A 48 -3.145 -8.272 -14.003 1.00 61.30 H new ATOM 0 HA ALA A 48 -1.969 -10.000 -13.284 1.00 23.23 H new ATOM 0 HB1 ALA A 48 0.075 -10.687 -14.524 1.00 24.42 H new ATOM 0 HB2 ALA A 48 -1.254 -10.243 -15.621 1.00 24.42 H new ATOM 0 HB3 ALA A 48 0.089 -9.109 -15.347 1.00 24.42 H new ATOM 747 N VAL A 49 -0.562 -7.638 -12.031 1.00 10.32 N ATOM 748 CA VAL A 49 0.358 -7.062 -11.044 1.00 51.42 C ATOM 749 C VAL A 49 0.085 -7.575 -9.623 1.00 1.31 C ATOM 750 O VAL A 49 -1.044 -7.524 -9.134 1.00 4.20 O ATOM 751 CB VAL A 49 0.280 -5.515 -11.039 1.00 1.32 C ATOM 752 CG1 VAL A 49 1.238 -4.915 -10.009 1.00 2.44 C ATOM 753 CG2 VAL A 49 0.560 -4.955 -12.432 1.00 44.44 C ATOM 0 H VAL A 49 -1.376 -7.058 -12.234 1.00 10.32 H new ATOM 0 HA VAL A 49 1.357 -7.380 -11.343 1.00 51.42 H new ATOM 0 HB VAL A 49 -0.733 -5.233 -10.754 1.00 1.32 H new ATOM 0 HG11 VAL A 49 1.160 -3.828 -10.030 1.00 2.44 H new ATOM 0 HG12 VAL A 49 0.978 -5.279 -9.015 1.00 2.44 H new ATOM 0 HG13 VAL A 49 2.260 -5.210 -10.247 1.00 2.44 H new ATOM 0 HG21 VAL A 49 0.500 -3.867 -12.406 1.00 44.44 H new ATOM 0 HG22 VAL A 49 1.558 -5.256 -12.751 1.00 44.44 H new ATOM 0 HG23 VAL A 49 -0.178 -5.342 -13.135 1.00 44.44 H new ATOM 763 N GLU A 50 1.133 -8.064 -8.967 1.00 52.43 N ATOM 764 CA GLU A 50 1.048 -8.473 -7.566 1.00 40.11 C ATOM 765 C GLU A 50 1.140 -7.239 -6.650 1.00 32.50 C ATOM 766 O GLU A 50 2.230 -6.774 -6.333 1.00 52.03 O ATOM 767 CB GLU A 50 2.186 -9.460 -7.246 1.00 11.31 C ATOM 768 CG GLU A 50 2.269 -10.643 -8.212 1.00 11.32 C ATOM 769 CD GLU A 50 3.480 -11.536 -7.963 1.00 21.02 C ATOM 770 OE1 GLU A 50 3.459 -12.317 -6.991 1.00 61.42 O ATOM 771 OE2 GLU A 50 4.451 -11.471 -8.750 1.00 53.35 O ATOM 0 H GLU A 50 2.056 -8.188 -9.384 1.00 52.43 H new ATOM 0 HA GLU A 50 0.091 -8.965 -7.392 1.00 40.11 H new ATOM 0 HB2 GLU A 50 3.135 -8.923 -7.262 1.00 11.31 H new ATOM 0 HB3 GLU A 50 2.051 -9.839 -6.233 1.00 11.31 H new ATOM 0 HG2 GLU A 50 1.361 -11.240 -8.125 1.00 11.32 H new ATOM 0 HG3 GLU A 50 2.306 -10.267 -9.235 1.00 11.32 H new ATOM 778 N PHE A 51 -0.009 -6.707 -6.241 1.00 12.12 N ATOM 779 CA PHE A 51 -0.060 -5.487 -5.418 1.00 32.03 C ATOM 780 C PHE A 51 -0.587 -5.803 -4.008 1.00 33.15 C ATOM 781 O PHE A 51 -1.785 -5.996 -3.811 1.00 63.34 O ATOM 782 CB PHE A 51 -0.945 -4.436 -6.116 1.00 12.13 C ATOM 783 CG PHE A 51 -0.981 -3.068 -5.463 1.00 11.32 C ATOM 784 CD1 PHE A 51 -0.084 -2.710 -4.461 1.00 23.32 C ATOM 785 CD2 PHE A 51 -1.929 -2.134 -5.862 1.00 30.02 C ATOM 786 CE1 PHE A 51 -0.133 -1.456 -3.881 1.00 4.31 C ATOM 787 CE2 PHE A 51 -1.980 -0.881 -5.285 1.00 31.02 C ATOM 788 CZ PHE A 51 -1.084 -0.542 -4.292 1.00 22.01 C ATOM 0 H PHE A 51 -0.924 -7.099 -6.464 1.00 12.12 H new ATOM 0 HA PHE A 51 0.947 -5.085 -5.309 1.00 32.03 H new ATOM 0 HB2 PHE A 51 -0.597 -4.319 -7.142 1.00 12.13 H new ATOM 0 HB3 PHE A 51 -1.963 -4.821 -6.166 1.00 12.13 H new ATOM 0 HD1 PHE A 51 0.660 -3.421 -4.132 1.00 23.32 H new ATOM 0 HD2 PHE A 51 -2.637 -2.392 -6.636 1.00 30.02 H new ATOM 0 HE1 PHE A 51 0.572 -1.191 -3.107 1.00 4.31 H new ATOM 0 HE2 PHE A 51 -2.721 -0.166 -5.611 1.00 31.02 H new ATOM 0 HZ PHE A 51 -1.126 0.436 -3.837 1.00 22.01 H new ATOM 798 N ALA A 52 0.321 -5.860 -3.035 1.00 5.25 N ATOM 799 CA ALA A 52 -0.035 -6.232 -1.658 1.00 72.12 C ATOM 800 C ALA A 52 -0.062 -5.017 -0.717 1.00 24.24 C ATOM 801 O ALA A 52 0.856 -4.195 -0.716 1.00 11.04 O ATOM 802 CB ALA A 52 0.937 -7.283 -1.133 1.00 63.21 C ATOM 0 H ALA A 52 1.311 -5.654 -3.170 1.00 5.25 H new ATOM 0 HA ALA A 52 -1.043 -6.646 -1.681 1.00 72.12 H new ATOM 0 HB1 ALA A 52 0.665 -7.552 -0.112 1.00 63.21 H new ATOM 0 HB2 ALA A 52 0.892 -8.169 -1.766 1.00 63.21 H new ATOM 0 HB3 ALA A 52 1.950 -6.880 -1.145 1.00 63.21 H new ATOM 808 N VAL A 53 -1.116 -4.919 0.093 1.00 71.12 N ATOM 809 CA VAL A 53 -1.264 -3.818 1.054 1.00 20.33 C ATOM 810 C VAL A 53 -1.162 -4.330 2.500 1.00 53.24 C ATOM 811 O VAL A 53 -1.862 -5.264 2.890 1.00 51.11 O ATOM 812 CB VAL A 53 -2.619 -3.087 0.862 1.00 71.55 C ATOM 813 CG1 VAL A 53 -2.777 -1.942 1.865 1.00 52.31 C ATOM 814 CG2 VAL A 53 -2.755 -2.578 -0.573 1.00 12.05 C ATOM 0 H VAL A 53 -1.884 -5.590 0.105 1.00 71.12 H new ATOM 0 HA VAL A 53 -0.452 -3.115 0.867 1.00 20.33 H new ATOM 0 HB VAL A 53 -3.419 -3.803 1.049 1.00 71.55 H new ATOM 0 HG11 VAL A 53 -3.736 -1.449 1.706 1.00 52.31 H new ATOM 0 HG12 VAL A 53 -2.737 -2.339 2.879 1.00 52.31 H new ATOM 0 HG13 VAL A 53 -1.971 -1.222 1.725 1.00 52.31 H new ATOM 0 HG21 VAL A 53 -3.711 -2.068 -0.689 1.00 12.05 H new ATOM 0 HG22 VAL A 53 -1.944 -1.883 -0.791 1.00 12.05 H new ATOM 0 HG23 VAL A 53 -2.706 -3.420 -1.264 1.00 12.05 H new ATOM 824 N VAL A 54 -0.288 -3.710 3.291 1.00 74.43 N ATOM 825 CA VAL A 54 -0.046 -4.127 4.678 1.00 23.22 C ATOM 826 C VAL A 54 -0.183 -2.943 5.651 1.00 64.42 C ATOM 827 O VAL A 54 0.250 -1.830 5.354 1.00 64.03 O ATOM 828 CB VAL A 54 1.371 -4.743 4.837 1.00 60.42 C ATOM 829 CG1 VAL A 54 1.598 -5.227 6.269 1.00 1.43 C ATOM 830 CG2 VAL A 54 1.589 -5.880 3.839 1.00 53.53 C ATOM 0 H VAL A 54 0.271 -2.910 2.995 1.00 74.43 H new ATOM 0 HA VAL A 54 -0.799 -4.878 4.918 1.00 23.22 H new ATOM 0 HB VAL A 54 2.101 -3.962 4.624 1.00 60.42 H new ATOM 0 HG11 VAL A 54 2.597 -5.654 6.355 1.00 1.43 H new ATOM 0 HG12 VAL A 54 1.502 -4.387 6.957 1.00 1.43 H new ATOM 0 HG13 VAL A 54 0.856 -5.986 6.518 1.00 1.43 H new ATOM 0 HG21 VAL A 54 2.589 -6.294 3.972 1.00 53.53 H new ATOM 0 HG22 VAL A 54 0.848 -6.661 4.009 1.00 53.53 H new ATOM 0 HG23 VAL A 54 1.486 -5.497 2.824 1.00 53.53 H new ATOM 840 N THR A 55 -0.795 -3.187 6.808 1.00 72.51 N ATOM 841 CA THR A 55 -0.908 -2.169 7.865 1.00 61.25 C ATOM 842 C THR A 55 -0.316 -2.695 9.178 1.00 25.43 C ATOM 843 O THR A 55 -0.645 -3.795 9.619 1.00 24.14 O ATOM 844 CB THR A 55 -2.379 -1.758 8.126 1.00 63.01 C ATOM 845 OG1 THR A 55 -3.068 -2.805 8.826 1.00 53.25 O ATOM 846 CG2 THR A 55 -3.108 -1.459 6.819 1.00 34.03 C ATOM 0 H THR A 55 -1.223 -4.082 7.043 1.00 72.51 H new ATOM 0 HA THR A 55 -0.356 -1.296 7.517 1.00 61.25 H new ATOM 0 HB THR A 55 -2.370 -0.854 8.734 1.00 63.01 H new ATOM 0 HG1 THR A 55 -4.025 -2.597 8.866 1.00 53.25 H new ATOM 0 HG21 THR A 55 -4.138 -1.173 7.034 1.00 34.03 H new ATOM 0 HG22 THR A 55 -2.606 -0.642 6.301 1.00 34.03 H new ATOM 0 HG23 THR A 55 -3.102 -2.347 6.188 1.00 34.03 H new ATOM 854 N LEU A 56 0.554 -1.910 9.806 1.00 23.44 N ATOM 855 CA LEU A 56 1.209 -2.324 11.055 1.00 70.35 C ATOM 856 C LEU A 56 1.007 -1.287 12.172 1.00 41.12 C ATOM 857 O LEU A 56 1.010 -0.079 11.919 1.00 51.32 O ATOM 858 CB LEU A 56 2.707 -2.530 10.819 1.00 44.05 C ATOM 859 CG LEU A 56 3.071 -3.557 9.735 1.00 62.14 C ATOM 860 CD1 LEU A 56 4.570 -3.545 9.470 1.00 75.54 C ATOM 861 CD2 LEU A 56 2.610 -4.957 10.141 1.00 63.15 C ATOM 0 H LEU A 56 0.825 -0.984 9.476 1.00 23.44 H new ATOM 0 HA LEU A 56 0.751 -3.261 11.371 1.00 70.35 H new ATOM 0 HB2 LEU A 56 3.150 -1.571 10.550 1.00 44.05 H new ATOM 0 HB3 LEU A 56 3.166 -2.841 11.758 1.00 44.05 H new ATOM 0 HG LEU A 56 2.556 -3.280 8.815 1.00 62.14 H new ATOM 0 HD11 LEU A 56 4.809 -4.278 8.700 1.00 75.54 H new ATOM 0 HD12 LEU A 56 4.872 -2.553 9.133 1.00 75.54 H new ATOM 0 HD13 LEU A 56 5.104 -3.795 10.387 1.00 75.54 H new ATOM 0 HD21 LEU A 56 2.877 -5.669 9.360 1.00 63.15 H new ATOM 0 HD22 LEU A 56 3.095 -5.243 11.074 1.00 63.15 H new ATOM 0 HD23 LEU A 56 1.529 -4.958 10.279 1.00 63.15 H new ATOM 873 N PRO A 57 0.824 -1.748 13.431 1.00 15.53 N ATOM 874 CA PRO A 57 0.677 -0.850 14.591 1.00 42.14 C ATOM 875 C PRO A 57 1.926 0.014 14.817 1.00 54.32 C ATOM 876 O PRO A 57 1.839 1.233 14.981 1.00 42.24 O ATOM 877 CB PRO A 57 0.466 -1.812 15.776 1.00 63.02 C ATOM 878 CG PRO A 57 0.046 -3.105 15.160 1.00 70.44 C ATOM 879 CD PRO A 57 0.738 -3.166 13.824 1.00 31.10 C ATOM 0 HA PRO A 57 -0.141 -0.143 14.455 1.00 42.14 H new ATOM 0 HB2 PRO A 57 1.382 -1.931 16.355 1.00 63.02 H new ATOM 0 HB3 PRO A 57 -0.296 -1.435 16.458 1.00 63.02 H new ATOM 0 HG2 PRO A 57 0.333 -3.949 15.788 1.00 70.44 H new ATOM 0 HG3 PRO A 57 -1.037 -3.149 15.042 1.00 70.44 H new ATOM 0 HD2 PRO A 57 1.724 -3.624 13.901 1.00 31.10 H new ATOM 0 HD3 PRO A 57 0.170 -3.752 13.101 1.00 31.10 H new ATOM 887 N SER A 58 3.092 -0.628 14.825 1.00 45.14 N ATOM 888 CA SER A 58 4.360 0.078 15.030 1.00 35.10 C ATOM 889 C SER A 58 5.539 -0.684 14.417 1.00 33.22 C ATOM 890 O SER A 58 5.546 -1.912 14.395 1.00 50.54 O ATOM 891 CB SER A 58 4.624 0.284 16.530 1.00 70.10 C ATOM 892 OG SER A 58 3.572 1.007 17.155 1.00 20.04 O ATOM 0 H SER A 58 3.188 -1.635 14.692 1.00 45.14 H new ATOM 0 HA SER A 58 4.273 1.044 14.532 1.00 35.10 H new ATOM 0 HB2 SER A 58 4.738 -0.685 17.016 1.00 70.10 H new ATOM 0 HB3 SER A 58 5.564 0.820 16.664 1.00 70.10 H new ATOM 0 HG SER A 58 2.824 0.402 17.340 1.00 20.04 H new ATOM 898 N ILE A 59 6.529 0.047 13.904 1.00 40.44 N ATOM 899 CA ILE A 59 7.800 -0.565 13.474 1.00 42.31 C ATOM 900 C ILE A 59 8.954 -0.118 14.385 1.00 30.34 C ATOM 901 O ILE A 59 10.088 -0.590 14.256 1.00 21.20 O ATOM 902 CB ILE A 59 8.154 -0.236 11.998 1.00 60.42 C ATOM 903 CG1 ILE A 59 8.385 1.275 11.806 1.00 33.45 C ATOM 904 CG2 ILE A 59 7.060 -0.746 11.059 1.00 32.44 C ATOM 905 CD1 ILE A 59 8.768 1.663 10.388 1.00 0.12 C ATOM 0 H ILE A 59 6.483 1.058 13.774 1.00 40.44 H new ATOM 0 HA ILE A 59 7.662 -1.644 13.552 1.00 42.31 H new ATOM 0 HB ILE A 59 9.084 -0.747 11.750 1.00 60.42 H new ATOM 0 HG12 ILE A 59 7.478 1.810 12.086 1.00 33.45 H new ATOM 0 HG13 ILE A 59 9.171 1.602 12.487 1.00 33.45 H new ATOM 0 HG21 ILE A 59 7.324 -0.507 10.029 1.00 32.44 H new ATOM 0 HG22 ILE A 59 6.962 -1.826 11.167 1.00 32.44 H new ATOM 0 HG23 ILE A 59 6.113 -0.269 11.311 1.00 32.44 H new ATOM 0 HD11 ILE A 59 8.914 2.742 10.333 1.00 0.12 H new ATOM 0 HD12 ILE A 59 9.693 1.157 10.110 1.00 0.12 H new ATOM 0 HD13 ILE A 59 7.973 1.369 9.703 1.00 0.12 H new ATOM 917 N GLY A 60 8.649 0.795 15.306 1.00 44.22 N ATOM 918 CA GLY A 60 9.639 1.271 16.262 1.00 41.32 C ATOM 919 C GLY A 60 10.674 2.199 15.639 1.00 50.52 C ATOM 920 O GLY A 60 10.363 3.333 15.270 1.00 72.35 O ATOM 0 H GLY A 60 7.726 1.217 15.408 1.00 44.22 H new ATOM 0 HA2 GLY A 60 9.131 1.795 17.072 1.00 41.32 H new ATOM 0 HA3 GLY A 60 10.148 0.415 16.706 1.00 41.32 H new ATOM 924 N ASP A 61 11.908 1.715 15.525 1.00 34.11 N ATOM 925 CA ASP A 61 13.009 2.507 14.963 1.00 31.31 C ATOM 926 C ASP A 61 13.435 2.006 13.572 1.00 33.54 C ATOM 927 O ASP A 61 14.367 2.544 12.970 1.00 41.32 O ATOM 928 CB ASP A 61 14.206 2.476 15.918 1.00 53.12 C ATOM 929 CG ASP A 61 13.917 3.189 17.228 1.00 32.43 C ATOM 930 OD1 ASP A 61 13.281 2.588 18.118 1.00 4.31 O ATOM 931 OD2 ASP A 61 14.322 4.363 17.370 1.00 23.32 O ATOM 0 H ASP A 61 12.176 0.774 15.815 1.00 34.11 H new ATOM 0 HA ASP A 61 12.652 3.530 14.845 1.00 31.31 H new ATOM 0 HB2 ASP A 61 14.478 1.440 16.123 1.00 53.12 H new ATOM 0 HB3 ASP A 61 15.065 2.942 15.435 1.00 53.12 H new ATOM 936 N ALA A 62 12.743 0.989 13.061 1.00 3.41 N ATOM 937 CA ALA A 62 13.087 0.389 11.766 1.00 74.12 C ATOM 938 C ALA A 62 12.918 1.383 10.601 1.00 2.41 C ATOM 939 O ALA A 62 11.967 2.165 10.576 1.00 72.31 O ATOM 940 CB ALA A 62 12.232 -0.849 11.525 1.00 23.22 C ATOM 0 H ALA A 62 11.940 0.561 13.522 1.00 3.41 H new ATOM 0 HA ALA A 62 14.140 0.108 11.803 1.00 74.12 H new ATOM 0 HB1 ALA A 62 12.492 -1.289 10.562 1.00 23.22 H new ATOM 0 HB2 ALA A 62 12.413 -1.576 12.317 1.00 23.22 H new ATOM 0 HB3 ALA A 62 11.179 -0.569 11.523 1.00 23.22 H new ATOM 946 N PRO A 63 13.844 1.366 9.621 1.00 31.23 N ATOM 947 CA PRO A 63 13.752 2.234 8.434 1.00 64.35 C ATOM 948 C PRO A 63 12.582 1.841 7.513 1.00 72.50 C ATOM 949 O PRO A 63 12.518 0.716 7.022 1.00 13.33 O ATOM 950 CB PRO A 63 15.103 2.020 7.734 1.00 3.22 C ATOM 951 CG PRO A 63 15.560 0.673 8.186 1.00 32.33 C ATOM 952 CD PRO A 63 15.053 0.515 9.594 1.00 73.34 C ATOM 0 HA PRO A 63 13.560 3.274 8.696 1.00 64.35 H new ATOM 0 HB2 PRO A 63 14.997 2.058 6.650 1.00 3.22 H new ATOM 0 HB3 PRO A 63 15.819 2.794 8.011 1.00 3.22 H new ATOM 0 HG2 PRO A 63 15.166 -0.110 7.539 1.00 32.33 H new ATOM 0 HG3 PRO A 63 16.647 0.598 8.152 1.00 32.33 H new ATOM 0 HD2 PRO A 63 14.818 -0.525 9.822 1.00 73.34 H new ATOM 0 HD3 PRO A 63 15.791 0.843 10.326 1.00 73.34 H new ATOM 960 N LEU A 64 11.667 2.780 7.276 1.00 50.31 N ATOM 961 CA LEU A 64 10.438 2.508 6.516 1.00 40.42 C ATOM 962 C LEU A 64 10.718 1.989 5.089 1.00 32.24 C ATOM 963 O LEU A 64 10.171 0.960 4.676 1.00 23.44 O ATOM 964 CB LEU A 64 9.573 3.775 6.459 1.00 23.31 C ATOM 965 CG LEU A 64 8.199 3.611 5.787 1.00 32.34 C ATOM 966 CD1 LEU A 64 7.374 2.538 6.494 1.00 24.50 C ATOM 967 CD2 LEU A 64 7.453 4.946 5.764 1.00 55.31 C ATOM 0 H LEU A 64 11.751 3.744 7.600 1.00 50.31 H new ATOM 0 HA LEU A 64 9.904 1.715 7.039 1.00 40.42 H new ATOM 0 HB2 LEU A 64 9.419 4.135 7.476 1.00 23.31 H new ATOM 0 HB3 LEU A 64 10.128 4.549 5.928 1.00 23.31 H new ATOM 0 HG LEU A 64 8.356 3.289 4.758 1.00 32.34 H new ATOM 0 HD11 LEU A 64 6.407 2.440 6.002 1.00 24.50 H new ATOM 0 HD12 LEU A 64 7.902 1.585 6.450 1.00 24.50 H new ATOM 0 HD13 LEU A 64 7.224 2.822 7.536 1.00 24.50 H new ATOM 0 HD21 LEU A 64 6.483 4.813 5.285 1.00 55.31 H new ATOM 0 HD22 LEU A 64 7.308 5.300 6.785 1.00 55.31 H new ATOM 0 HD23 LEU A 64 8.035 5.679 5.205 1.00 55.31 H new ATOM 979 N GLU A 65 11.563 2.697 4.335 1.00 72.21 N ATOM 980 CA GLU A 65 11.869 2.301 2.952 1.00 42.20 C ATOM 981 C GLU A 65 12.555 0.925 2.896 1.00 50.03 C ATOM 982 O GLU A 65 12.155 0.050 2.125 1.00 5.44 O ATOM 983 CB GLU A 65 12.731 3.366 2.249 1.00 4.30 C ATOM 984 CG GLU A 65 12.020 4.709 2.077 1.00 34.23 C ATOM 985 CD GLU A 65 12.746 5.656 1.130 1.00 31.53 C ATOM 986 OE1 GLU A 65 12.939 5.285 -0.049 1.00 23.22 O ATOM 987 OE2 GLU A 65 13.114 6.773 1.554 1.00 44.52 O ATOM 0 H GLU A 65 12.044 3.539 4.651 1.00 72.21 H new ATOM 0 HA GLU A 65 10.921 2.222 2.420 1.00 42.20 H new ATOM 0 HB2 GLU A 65 13.645 3.519 2.822 1.00 4.30 H new ATOM 0 HB3 GLU A 65 13.028 2.993 1.269 1.00 4.30 H new ATOM 0 HG2 GLU A 65 11.012 4.533 1.702 1.00 34.23 H new ATOM 0 HG3 GLU A 65 11.919 5.187 3.052 1.00 34.23 H new ATOM 994 N ASP A 66 13.575 0.732 3.725 1.00 42.31 N ATOM 995 CA ASP A 66 14.270 -0.559 3.809 1.00 54.21 C ATOM 996 C ASP A 66 13.324 -1.681 4.273 1.00 21.32 C ATOM 997 O ASP A 66 13.406 -2.815 3.790 1.00 43.41 O ATOM 998 CB ASP A 66 15.468 -0.454 4.756 1.00 20.33 C ATOM 999 CG ASP A 66 16.539 0.481 4.223 1.00 53.22 C ATOM 1000 OD1 ASP A 66 16.420 1.707 4.425 1.00 43.42 O ATOM 1001 OD2 ASP A 66 17.498 -0.004 3.584 1.00 53.44 O ATOM 0 H ASP A 66 13.943 1.449 4.350 1.00 42.31 H new ATOM 0 HA ASP A 66 14.623 -0.812 2.810 1.00 54.21 H new ATOM 0 HB2 ASP A 66 15.130 -0.099 5.729 1.00 20.33 H new ATOM 0 HB3 ASP A 66 15.896 -1.445 4.909 1.00 20.33 H new ATOM 1006 N PHE A 67 12.420 -1.353 5.199 1.00 31.21 N ATOM 1007 CA PHE A 67 11.437 -2.313 5.713 1.00 31.45 C ATOM 1008 C PHE A 67 10.603 -2.924 4.575 1.00 32.13 C ATOM 1009 O PHE A 67 10.509 -4.149 4.445 1.00 54.42 O ATOM 1010 CB PHE A 67 10.512 -1.615 6.723 1.00 55.52 C ATOM 1011 CG PHE A 67 9.551 -2.542 7.425 1.00 43.51 C ATOM 1012 CD1 PHE A 67 8.354 -2.915 6.826 1.00 43.35 C ATOM 1013 CD2 PHE A 67 9.848 -3.045 8.683 1.00 51.14 C ATOM 1014 CE1 PHE A 67 7.479 -3.768 7.467 1.00 21.11 C ATOM 1015 CE2 PHE A 67 8.973 -3.895 9.328 1.00 71.43 C ATOM 1016 CZ PHE A 67 7.789 -4.259 8.719 1.00 60.33 C ATOM 0 H PHE A 67 12.348 -0.423 5.612 1.00 31.21 H new ATOM 0 HA PHE A 67 11.976 -3.122 6.206 1.00 31.45 H new ATOM 0 HB2 PHE A 67 11.124 -1.110 7.471 1.00 55.52 H new ATOM 0 HB3 PHE A 67 9.942 -0.844 6.204 1.00 55.52 H new ATOM 0 HD1 PHE A 67 8.105 -2.533 5.847 1.00 43.35 H new ATOM 0 HD2 PHE A 67 10.775 -2.768 9.163 1.00 51.14 H new ATOM 0 HE1 PHE A 67 6.553 -4.051 6.989 1.00 21.11 H new ATOM 0 HE2 PHE A 67 9.215 -4.276 10.309 1.00 71.43 H new ATOM 0 HZ PHE A 67 7.106 -4.927 9.222 1.00 60.33 H new ATOM 1026 N THR A 68 9.994 -2.060 3.758 1.00 62.23 N ATOM 1027 CA THR A 68 9.166 -2.508 2.625 1.00 40.13 C ATOM 1028 C THR A 68 9.939 -3.450 1.693 1.00 45.43 C ATOM 1029 O THR A 68 9.433 -4.501 1.303 1.00 61.14 O ATOM 1030 CB THR A 68 8.626 -1.321 1.788 1.00 25.11 C ATOM 1031 OG1 THR A 68 9.712 -0.546 1.257 1.00 74.12 O ATOM 1032 CG2 THR A 68 7.720 -0.425 2.625 1.00 13.43 C ATOM 0 H THR A 68 10.056 -1.047 3.856 1.00 62.23 H new ATOM 0 HA THR A 68 8.326 -3.042 3.068 1.00 40.13 H new ATOM 0 HB THR A 68 8.042 -1.734 0.965 1.00 25.11 H new ATOM 0 HG1 THR A 68 10.445 -0.523 1.907 1.00 74.12 H new ATOM 0 HG21 THR A 68 7.356 0.399 2.012 1.00 13.43 H new ATOM 0 HG22 THR A 68 6.874 -1.005 2.993 1.00 13.43 H new ATOM 0 HG23 THR A 68 8.282 -0.028 3.470 1.00 13.43 H new ATOM 1040 N LEU A 69 11.170 -3.074 1.352 1.00 43.31 N ATOM 1041 CA LEU A 69 12.020 -3.905 0.493 1.00 43.41 C ATOM 1042 C LEU A 69 12.248 -5.299 1.109 1.00 41.25 C ATOM 1043 O LEU A 69 12.071 -6.320 0.446 1.00 52.32 O ATOM 1044 CB LEU A 69 13.367 -3.207 0.252 1.00 3.14 C ATOM 1045 CG LEU A 69 14.316 -3.922 -0.727 1.00 11.23 C ATOM 1046 CD1 LEU A 69 13.709 -3.985 -2.128 1.00 1.30 C ATOM 1047 CD2 LEU A 69 15.676 -3.230 -0.756 1.00 14.41 C ATOM 0 H LEU A 69 11.603 -2.202 1.655 1.00 43.31 H new ATOM 0 HA LEU A 69 11.508 -4.039 -0.460 1.00 43.41 H new ATOM 0 HB2 LEU A 69 13.174 -2.202 -0.124 1.00 3.14 H new ATOM 0 HB3 LEU A 69 13.876 -3.097 1.209 1.00 3.14 H new ATOM 0 HG LEU A 69 14.459 -4.944 -0.377 1.00 11.23 H new ATOM 0 HD11 LEU A 69 14.399 -4.495 -2.801 1.00 1.30 H new ATOM 0 HD12 LEU A 69 12.767 -4.532 -2.092 1.00 1.30 H new ATOM 0 HD13 LEU A 69 13.528 -2.974 -2.492 1.00 1.30 H new ATOM 0 HD21 LEU A 69 16.334 -3.749 -1.453 1.00 14.41 H new ATOM 0 HD22 LEU A 69 15.551 -2.196 -1.076 1.00 14.41 H new ATOM 0 HD23 LEU A 69 16.116 -3.250 0.241 1.00 14.41 H new ATOM 1059 N LYS A 70 12.629 -5.335 2.388 1.00 72.02 N ATOM 1060 CA LYS A 70 12.871 -6.604 3.090 1.00 53.21 C ATOM 1061 C LYS A 70 11.629 -7.511 3.073 1.00 3.22 C ATOM 1062 O LYS A 70 11.732 -8.719 2.844 1.00 73.31 O ATOM 1063 CB LYS A 70 13.303 -6.341 4.541 1.00 62.25 C ATOM 1064 CG LYS A 70 14.644 -5.623 4.663 1.00 32.21 C ATOM 1065 CD LYS A 70 15.075 -5.459 6.119 1.00 45.23 C ATOM 1066 CE LYS A 70 15.272 -6.803 6.812 1.00 62.12 C ATOM 1067 NZ LYS A 70 16.312 -7.635 6.144 1.00 70.54 N ATOM 0 H LYS A 70 12.777 -4.504 2.960 1.00 72.02 H new ATOM 0 HA LYS A 70 13.673 -7.120 2.561 1.00 53.21 H new ATOM 0 HB2 LYS A 70 12.536 -5.746 5.036 1.00 62.25 H new ATOM 0 HB3 LYS A 70 13.361 -7.292 5.071 1.00 62.25 H new ATOM 0 HG2 LYS A 70 15.406 -6.183 4.120 1.00 32.21 H new ATOM 0 HG3 LYS A 70 14.574 -4.642 4.193 1.00 32.21 H new ATOM 0 HD2 LYS A 70 16.004 -4.890 6.160 1.00 45.23 H new ATOM 0 HD3 LYS A 70 14.323 -4.881 6.657 1.00 45.23 H new ATOM 0 HE2 LYS A 70 15.556 -6.636 7.851 1.00 62.12 H new ATOM 0 HE3 LYS A 70 14.327 -7.346 6.823 1.00 62.12 H new ATOM 0 HZ1 LYS A 70 16.545 -8.450 6.747 1.00 70.54 H new ATOM 0 HZ2 LYS A 70 15.951 -7.973 5.229 1.00 70.54 H new ATOM 0 HZ3 LYS A 70 17.167 -7.063 5.989 1.00 70.54 H new ATOM 1081 N LEU A 71 10.462 -6.922 3.314 1.00 1.54 N ATOM 1082 CA LEU A 71 9.200 -7.670 3.311 1.00 71.42 C ATOM 1083 C LEU A 71 8.843 -8.161 1.893 1.00 21.24 C ATOM 1084 O LEU A 71 8.445 -9.312 1.698 1.00 44.11 O ATOM 1085 CB LEU A 71 8.071 -6.788 3.874 1.00 3.31 C ATOM 1086 CG LEU A 71 6.710 -7.483 4.052 1.00 33.33 C ATOM 1087 CD1 LEU A 71 6.821 -8.648 5.032 1.00 45.03 C ATOM 1088 CD2 LEU A 71 5.648 -6.483 4.514 1.00 43.20 C ATOM 0 H LEU A 71 10.359 -5.927 3.515 1.00 1.54 H new ATOM 0 HA LEU A 71 9.320 -8.549 3.945 1.00 71.42 H new ATOM 0 HB2 LEU A 71 8.388 -6.396 4.841 1.00 3.31 H new ATOM 0 HB3 LEU A 71 7.938 -5.933 3.212 1.00 3.31 H new ATOM 0 HG LEU A 71 6.403 -7.882 3.085 1.00 33.33 H new ATOM 0 HD11 LEU A 71 5.847 -9.125 5.142 1.00 45.03 H new ATOM 0 HD12 LEU A 71 7.540 -9.375 4.653 1.00 45.03 H new ATOM 0 HD13 LEU A 71 7.156 -8.278 6.001 1.00 45.03 H new ATOM 0 HD21 LEU A 71 4.693 -6.995 4.634 1.00 43.20 H new ATOM 0 HD22 LEU A 71 5.948 -6.048 5.467 1.00 43.20 H new ATOM 0 HD23 LEU A 71 5.545 -5.692 3.771 1.00 43.20 H new ATOM 1100 N ALA A 72 9.012 -7.288 0.903 1.00 51.25 N ATOM 1101 CA ALA A 72 8.708 -7.624 -0.492 1.00 33.43 C ATOM 1102 C ALA A 72 9.625 -8.733 -1.037 1.00 34.33 C ATOM 1103 O ALA A 72 9.175 -9.626 -1.763 1.00 61.24 O ATOM 1104 CB ALA A 72 8.811 -6.379 -1.365 1.00 70.52 C ATOM 0 H ALA A 72 9.359 -6.338 1.038 1.00 51.25 H new ATOM 0 HA ALA A 72 7.687 -8.005 -0.520 1.00 33.43 H new ATOM 0 HB1 ALA A 72 8.583 -6.640 -2.399 1.00 70.52 H new ATOM 0 HB2 ALA A 72 8.101 -5.629 -1.015 1.00 70.52 H new ATOM 0 HB3 ALA A 72 9.822 -5.976 -1.307 1.00 70.52 H new ATOM 1110 N ARG A 73 10.912 -8.674 -0.688 1.00 30.30 N ATOM 1111 CA ARG A 73 11.894 -9.652 -1.177 1.00 71.33 C ATOM 1112 C ARG A 73 11.581 -11.080 -0.694 1.00 63.10 C ATOM 1113 O ARG A 73 11.589 -12.019 -1.490 1.00 41.51 O ATOM 1114 CB ARG A 73 13.321 -9.246 -0.769 1.00 51.02 C ATOM 1115 CG ARG A 73 13.803 -7.951 -1.423 1.00 11.13 C ATOM 1116 CD ARG A 73 15.265 -7.646 -1.099 1.00 74.13 C ATOM 1117 NE ARG A 73 15.514 -7.561 0.341 1.00 11.13 N ATOM 1118 CZ ARG A 73 16.484 -6.873 0.884 1.00 15.23 C ATOM 1119 NH1 ARG A 73 17.300 -6.179 0.154 1.00 34.13 N ATOM 1120 NH2 ARG A 73 16.639 -6.885 2.168 1.00 72.25 N ATOM 0 H ARG A 73 11.301 -7.962 -0.070 1.00 30.30 H new ATOM 0 HA ARG A 73 11.827 -9.654 -2.265 1.00 71.33 H new ATOM 0 HB2 ARG A 73 13.361 -9.132 0.314 1.00 51.02 H new ATOM 0 HB3 ARG A 73 14.007 -10.052 -1.030 1.00 51.02 H new ATOM 0 HG2 ARG A 73 13.681 -8.025 -2.504 1.00 11.13 H new ATOM 0 HG3 ARG A 73 13.179 -7.123 -1.087 1.00 11.13 H new ATOM 0 HD2 ARG A 73 15.899 -8.422 -1.529 1.00 74.13 H new ATOM 0 HD3 ARG A 73 15.549 -6.705 -1.570 1.00 74.13 H new ATOM 0 HE ARG A 73 14.888 -8.073 0.963 1.00 11.13 H new ATOM 0 HH11 ARG A 73 17.190 -6.164 -0.860 1.00 34.13 H new ATOM 0 HH12 ARG A 73 18.052 -5.648 0.594 1.00 34.13 H new ATOM 0 HH21 ARG A 73 16.006 -7.430 2.753 1.00 72.25 H new ATOM 0 HH22 ARG A 73 17.395 -6.350 2.596 1.00 72.25 H new ATOM 1134 N GLN A 74 11.292 -11.243 0.600 1.00 64.24 N ATOM 1135 CA GLN A 74 10.986 -12.573 1.149 1.00 0.32 C ATOM 1136 C GLN A 74 9.650 -13.118 0.607 1.00 2.13 C ATOM 1137 O GLN A 74 9.477 -14.330 0.453 1.00 63.52 O ATOM 1138 CB GLN A 74 10.963 -12.547 2.685 1.00 52.03 C ATOM 1139 CG GLN A 74 9.874 -11.663 3.283 1.00 61.14 C ATOM 1140 CD GLN A 74 9.775 -11.801 4.792 1.00 75.00 C ATOM 1141 OE1 GLN A 74 9.035 -12.632 5.306 1.00 44.14 O ATOM 1142 NE2 GLN A 74 10.531 -11.002 5.514 1.00 74.14 N ATOM 0 H GLN A 74 11.263 -10.484 1.281 1.00 64.24 H new ATOM 0 HA GLN A 74 11.782 -13.243 0.824 1.00 0.32 H new ATOM 0 HB2 GLN A 74 10.830 -13.565 3.052 1.00 52.03 H new ATOM 0 HB3 GLN A 74 11.932 -12.203 3.045 1.00 52.03 H new ATOM 0 HG2 GLN A 74 10.076 -10.622 3.029 1.00 61.14 H new ATOM 0 HG3 GLN A 74 8.915 -11.921 2.834 1.00 61.14 H new ATOM 0 HE21 GLN A 74 11.136 -10.321 5.056 1.00 74.14 H new ATOM 0 HE22 GLN A 74 10.512 -11.064 6.532 1.00 74.14 H new ATOM 1151 N TRP A 75 8.705 -12.220 0.321 1.00 21.43 N ATOM 1152 CA TRP A 75 7.419 -12.608 -0.276 1.00 70.14 C ATOM 1153 C TRP A 75 7.559 -12.916 -1.778 1.00 75.11 C ATOM 1154 O TRP A 75 6.670 -13.515 -2.381 1.00 65.10 O ATOM 1155 CB TRP A 75 6.377 -11.496 -0.075 1.00 33.52 C ATOM 1156 CG TRP A 75 5.888 -11.349 1.341 1.00 23.20 C ATOM 1157 CD1 TRP A 75 6.400 -11.940 2.464 1.00 4.15 C ATOM 1158 CD2 TRP A 75 4.780 -10.553 1.781 1.00 2.31 C ATOM 1159 NE1 TRP A 75 5.675 -11.560 3.568 1.00 23.31 N ATOM 1160 CE2 TRP A 75 4.679 -10.708 3.175 1.00 31.43 C ATOM 1161 CE3 TRP A 75 3.867 -9.721 1.128 1.00 1.25 C ATOM 1162 CZ2 TRP A 75 3.699 -10.066 3.926 1.00 13.33 C ATOM 1163 CZ3 TRP A 75 2.895 -9.083 1.875 1.00 11.41 C ATOM 1164 CH2 TRP A 75 2.819 -9.258 3.262 1.00 23.53 C ATOM 0 H TRP A 75 8.803 -11.219 0.492 1.00 21.43 H new ATOM 0 HA TRP A 75 7.087 -13.515 0.229 1.00 70.14 H new ATOM 0 HB2 TRP A 75 6.808 -10.548 -0.397 1.00 33.52 H new ATOM 0 HB3 TRP A 75 5.523 -11.694 -0.723 1.00 33.52 H new ATOM 0 HD1 TRP A 75 7.249 -12.607 2.480 1.00 4.15 H new ATOM 0 HE1 TRP A 75 5.851 -11.864 4.526 1.00 23.31 H new ATOM 0 HE3 TRP A 75 3.920 -9.579 0.059 1.00 1.25 H new ATOM 0 HZ2 TRP A 75 3.636 -10.201 4.996 1.00 13.33 H new ATOM 0 HZ3 TRP A 75 2.183 -8.439 1.381 1.00 11.41 H new ATOM 0 HH2 TRP A 75 2.049 -8.744 3.819 1.00 23.53 H new ATOM 1175 N GLY A 76 8.675 -12.500 -2.375 1.00 14.34 N ATOM 1176 CA GLY A 76 8.896 -12.718 -3.805 1.00 24.12 C ATOM 1177 C GLY A 76 8.492 -11.519 -4.661 1.00 3.51 C ATOM 1178 O GLY A 76 9.165 -11.194 -5.641 1.00 64.12 O ATOM 0 H GLY A 76 9.434 -12.015 -1.897 1.00 14.34 H new ATOM 0 HA2 GLY A 76 9.950 -12.940 -3.974 1.00 24.12 H new ATOM 0 HA3 GLY A 76 8.330 -13.593 -4.125 1.00 24.12 H new ATOM 1182 N VAL A 77 7.406 -10.848 -4.270 1.00 53.43 N ATOM 1183 CA VAL A 77 6.868 -9.694 -5.013 1.00 64.40 C ATOM 1184 C VAL A 77 7.927 -8.595 -5.246 1.00 34.41 C ATOM 1185 O VAL A 77 7.801 -7.788 -6.168 1.00 23.13 O ATOM 1186 CB VAL A 77 5.644 -9.084 -4.282 1.00 31.21 C ATOM 1187 CG1 VAL A 77 5.024 -7.945 -5.090 1.00 55.35 C ATOM 1188 CG2 VAL A 77 4.606 -10.164 -3.982 1.00 13.41 C ATOM 0 H VAL A 77 6.873 -11.084 -3.433 1.00 53.43 H new ATOM 0 HA VAL A 77 6.559 -10.075 -5.987 1.00 64.40 H new ATOM 0 HB VAL A 77 5.992 -8.667 -3.337 1.00 31.21 H new ATOM 0 HG11 VAL A 77 4.169 -7.539 -4.550 1.00 55.35 H new ATOM 0 HG12 VAL A 77 5.765 -7.159 -5.239 1.00 55.35 H new ATOM 0 HG13 VAL A 77 4.696 -8.323 -6.058 1.00 55.35 H new ATOM 0 HG21 VAL A 77 3.754 -9.718 -3.469 1.00 13.41 H new ATOM 0 HG22 VAL A 77 4.271 -10.616 -4.916 1.00 13.41 H new ATOM 0 HG23 VAL A 77 5.051 -10.930 -3.347 1.00 13.41 H new ATOM 1198 N GLY A 78 8.967 -8.574 -4.416 1.00 5.33 N ATOM 1199 CA GLY A 78 10.068 -7.630 -4.604 1.00 0.51 C ATOM 1200 C GLY A 78 11.442 -8.296 -4.532 1.00 64.13 C ATOM 1201 O GLY A 78 12.447 -7.637 -4.268 1.00 63.11 O ATOM 0 H GLY A 78 9.071 -9.194 -3.613 1.00 5.33 H new ATOM 0 HA2 GLY A 78 9.958 -7.139 -5.571 1.00 0.51 H new ATOM 0 HA3 GLY A 78 10.007 -6.852 -3.843 1.00 0.51 H new ATOM 1205 N ASN A 79 11.489 -9.609 -4.782 1.00 51.45 N ATOM 1206 CA ASN A 79 12.744 -10.371 -4.692 1.00 31.22 C ATOM 1207 C ASN A 79 13.725 -9.947 -5.795 1.00 24.14 C ATOM 1208 O ASN A 79 13.626 -10.400 -6.938 1.00 11.21 O ATOM 1209 CB ASN A 79 12.460 -11.876 -4.776 1.00 64.12 C ATOM 1210 CG ASN A 79 13.679 -12.716 -4.442 1.00 22.50 C ATOM 1211 OD1 ASN A 79 14.472 -13.065 -5.310 1.00 64.12 O ATOM 1212 ND2 ASN A 79 13.846 -13.038 -3.177 1.00 51.24 N ATOM 0 H ASN A 79 10.677 -10.166 -5.047 1.00 51.45 H new ATOM 0 HA ASN A 79 13.206 -10.155 -3.728 1.00 31.22 H new ATOM 0 HB2 ASN A 79 11.650 -12.129 -4.092 1.00 64.12 H new ATOM 0 HB3 ASN A 79 12.117 -12.122 -5.781 1.00 64.12 H new ATOM 0 HD21 ASN A 79 14.653 -13.594 -2.894 1.00 51.24 H new ATOM 0 HD22 ASN A 79 13.168 -12.732 -2.479 1.00 51.24 H new ATOM 1219 N GLU A 80 14.669 -9.079 -5.430 1.00 72.32 N ATOM 1220 CA GLU A 80 15.587 -8.443 -6.385 1.00 63.34 C ATOM 1221 C GLU A 80 14.840 -7.942 -7.630 1.00 1.23 C ATOM 1222 O GLU A 80 15.042 -8.436 -8.743 1.00 11.14 O ATOM 1223 CB GLU A 80 16.730 -9.385 -6.790 1.00 20.42 C ATOM 1224 CG GLU A 80 17.800 -8.712 -7.656 1.00 0.41 C ATOM 1225 CD GLU A 80 18.824 -9.687 -8.217 1.00 14.11 C ATOM 1226 OE1 GLU A 80 18.495 -10.416 -9.174 1.00 73.24 O ATOM 1227 OE2 GLU A 80 19.972 -9.712 -7.721 1.00 0.53 O ATOM 0 H GLU A 80 14.822 -8.794 -4.463 1.00 72.32 H new ATOM 0 HA GLU A 80 16.025 -7.583 -5.878 1.00 63.34 H new ATOM 0 HB2 GLU A 80 17.199 -9.782 -5.890 1.00 20.42 H new ATOM 0 HB3 GLU A 80 16.315 -10.234 -7.334 1.00 20.42 H new ATOM 0 HG2 GLU A 80 17.314 -8.192 -8.482 1.00 0.41 H new ATOM 0 HG3 GLU A 80 18.315 -7.957 -7.062 1.00 0.41 H new ATOM 1234 N LYS A 81 13.952 -6.980 -7.420 1.00 43.54 N ATOM 1235 CA LYS A 81 13.228 -6.333 -8.515 1.00 70.20 C ATOM 1236 C LYS A 81 12.377 -7.329 -9.328 1.00 5.42 C ATOM 1237 O LYS A 81 12.745 -7.740 -10.429 1.00 73.44 O ATOM 1238 CB LYS A 81 14.201 -5.562 -9.428 1.00 73.43 C ATOM 1239 CG LYS A 81 14.749 -4.278 -8.802 1.00 51.45 C ATOM 1240 CD LYS A 81 15.533 -4.535 -7.515 1.00 30.53 C ATOM 1241 CE LYS A 81 15.850 -3.235 -6.783 1.00 41.33 C ATOM 1242 NZ LYS A 81 14.616 -2.479 -6.433 1.00 3.22 N ATOM 0 H LYS A 81 13.712 -6.625 -6.494 1.00 43.54 H new ATOM 0 HA LYS A 81 12.534 -5.623 -8.066 1.00 70.20 H new ATOM 0 HB2 LYS A 81 15.035 -6.214 -9.687 1.00 73.43 H new ATOM 0 HB3 LYS A 81 13.691 -5.313 -10.358 1.00 73.43 H new ATOM 0 HG2 LYS A 81 15.395 -3.775 -9.522 1.00 51.45 H new ATOM 0 HG3 LYS A 81 13.922 -3.601 -8.589 1.00 51.45 H new ATOM 0 HD2 LYS A 81 14.957 -5.190 -6.862 1.00 30.53 H new ATOM 0 HD3 LYS A 81 16.461 -5.056 -7.751 1.00 30.53 H new ATOM 0 HE2 LYS A 81 16.409 -3.457 -5.874 1.00 41.33 H new ATOM 0 HE3 LYS A 81 16.491 -2.614 -7.408 1.00 41.33 H new ATOM 0 HZ1 LYS A 81 14.675 -2.156 -5.446 1.00 3.22 H new ATOM 0 HZ2 LYS A 81 14.523 -1.656 -7.062 1.00 3.22 H new ATOM 0 HZ3 LYS A 81 13.787 -3.097 -6.546 1.00 3.22 H new ATOM 1256 N ASN A 82 11.240 -7.715 -8.758 1.00 13.51 N ATOM 1257 CA ASN A 82 10.267 -8.580 -9.439 1.00 70.33 C ATOM 1258 C ASN A 82 9.538 -7.795 -10.545 1.00 72.35 C ATOM 1259 O ASN A 82 9.350 -6.586 -10.423 1.00 51.11 O ATOM 1260 CB ASN A 82 9.270 -9.106 -8.401 1.00 40.45 C ATOM 1261 CG ASN A 82 8.190 -10.007 -8.970 1.00 61.33 C ATOM 1262 OD1 ASN A 82 8.398 -10.721 -9.943 1.00 71.21 O ATOM 1263 ND2 ASN A 82 7.022 -9.966 -8.357 1.00 41.24 N ATOM 0 H ASN A 82 10.962 -7.442 -7.815 1.00 13.51 H new ATOM 0 HA ASN A 82 10.780 -9.419 -9.909 1.00 70.33 H new ATOM 0 HB2 ASN A 82 9.817 -9.655 -7.635 1.00 40.45 H new ATOM 0 HB3 ASN A 82 8.796 -8.257 -7.908 1.00 40.45 H new ATOM 0 HD21 ASN A 82 6.250 -10.543 -8.691 1.00 41.24 H new ATOM 0 HD22 ASN A 82 6.891 -9.357 -7.549 1.00 41.24 H new ATOM 1270 N ASN A 83 9.142 -8.470 -11.626 1.00 45.25 N ATOM 1271 CA ASN A 83 8.478 -7.790 -12.750 1.00 11.52 C ATOM 1272 C ASN A 83 7.202 -7.013 -12.311 1.00 55.11 C ATOM 1273 O ASN A 83 7.306 -5.893 -11.805 1.00 12.14 O ATOM 1274 CB ASN A 83 8.205 -8.778 -13.906 1.00 31.40 C ATOM 1275 CG ASN A 83 7.305 -9.951 -13.539 1.00 53.33 C ATOM 1276 OD1 ASN A 83 6.692 -10.562 -14.404 1.00 51.04 O ATOM 1277 ND2 ASN A 83 7.168 -10.243 -12.260 1.00 72.03 N ATOM 0 H ASN A 83 9.265 -9.475 -11.751 1.00 45.25 H new ATOM 0 HA ASN A 83 9.165 -7.031 -13.125 1.00 11.52 H new ATOM 0 HB2 ASN A 83 7.750 -8.233 -14.733 1.00 31.40 H new ATOM 0 HB3 ASN A 83 9.157 -9.167 -14.267 1.00 31.40 H new ATOM 0 HD21 ASN A 83 6.540 -10.993 -11.973 1.00 72.03 H new ATOM 0 HD22 ASN A 83 7.690 -9.719 -11.558 1.00 72.03 H new ATOM 1284 N ASN A 84 6.009 -7.574 -12.489 1.00 61.41 N ATOM 1285 CA ASN A 84 4.782 -6.871 -12.096 1.00 44.10 C ATOM 1286 C ASN A 84 4.456 -7.115 -10.616 1.00 23.42 C ATOM 1287 O ASN A 84 3.645 -7.977 -10.275 1.00 64.01 O ATOM 1288 CB ASN A 84 3.602 -7.265 -12.999 1.00 14.14 C ATOM 1289 CG ASN A 84 3.658 -8.715 -13.432 1.00 43.42 C ATOM 1290 OD1 ASN A 84 4.146 -9.030 -14.511 1.00 2.55 O ATOM 1291 ND2 ASN A 84 3.185 -9.605 -12.592 1.00 64.52 N ATOM 0 H ASN A 84 5.862 -8.498 -12.896 1.00 61.41 H new ATOM 0 HA ASN A 84 4.954 -5.803 -12.226 1.00 44.10 H new ATOM 0 HB2 ASN A 84 2.667 -7.084 -12.468 1.00 14.14 H new ATOM 0 HB3 ASN A 84 3.596 -6.626 -13.882 1.00 14.14 H new ATOM 0 HD21 ASN A 84 3.216 -10.597 -12.829 1.00 64.52 H new ATOM 0 HD22 ASN A 84 2.786 -9.305 -11.702 1.00 64.52 H new ATOM 1298 N GLY A 85 5.118 -6.353 -9.747 1.00 51.45 N ATOM 1299 CA GLY A 85 4.909 -6.472 -8.309 1.00 74.42 C ATOM 1300 C GLY A 85 5.073 -5.143 -7.573 1.00 13.21 C ATOM 1301 O GLY A 85 5.939 -4.336 -7.921 1.00 13.14 O ATOM 0 H GLY A 85 5.803 -5.647 -10.016 1.00 51.45 H new ATOM 0 HA2 GLY A 85 3.909 -6.863 -8.123 1.00 74.42 H new ATOM 0 HA3 GLY A 85 5.615 -7.196 -7.903 1.00 74.42 H new ATOM 1305 N LEU A 86 4.242 -4.924 -6.557 1.00 22.42 N ATOM 1306 CA LEU A 86 4.249 -3.682 -5.779 1.00 32.05 C ATOM 1307 C LEU A 86 3.768 -3.928 -4.341 1.00 22.10 C ATOM 1308 O LEU A 86 2.716 -4.530 -4.119 1.00 45.43 O ATOM 1309 CB LEU A 86 3.357 -2.631 -6.464 1.00 61.24 C ATOM 1310 CG LEU A 86 3.134 -1.319 -5.685 1.00 3.45 C ATOM 1311 CD1 LEU A 86 4.457 -0.648 -5.341 1.00 42.25 C ATOM 1312 CD2 LEU A 86 2.243 -0.368 -6.481 1.00 44.32 C ATOM 0 H LEU A 86 3.544 -5.600 -6.248 1.00 22.42 H new ATOM 0 HA LEU A 86 5.273 -3.311 -5.734 1.00 32.05 H new ATOM 0 HB2 LEU A 86 3.797 -2.386 -7.431 1.00 61.24 H new ATOM 0 HB3 LEU A 86 2.385 -3.082 -6.661 1.00 61.24 H new ATOM 0 HG LEU A 86 2.632 -1.567 -4.750 1.00 3.45 H new ATOM 0 HD11 LEU A 86 4.265 0.274 -4.792 1.00 42.25 H new ATOM 0 HD12 LEU A 86 5.056 -1.319 -4.725 1.00 42.25 H new ATOM 0 HD13 LEU A 86 4.998 -0.418 -6.259 1.00 42.25 H new ATOM 0 HD21 LEU A 86 2.097 0.552 -5.916 1.00 44.32 H new ATOM 0 HD22 LEU A 86 2.718 -0.137 -7.434 1.00 44.32 H new ATOM 0 HD23 LEU A 86 1.277 -0.840 -6.662 1.00 44.32 H new ATOM 1324 N LEU A 87 4.549 -3.471 -3.368 1.00 75.32 N ATOM 1325 CA LEU A 87 4.179 -3.592 -1.953 1.00 61.14 C ATOM 1326 C LEU A 87 3.816 -2.225 -1.353 1.00 53.40 C ATOM 1327 O LEU A 87 4.403 -1.202 -1.707 1.00 55.31 O ATOM 1328 CB LEU A 87 5.332 -4.217 -1.153 1.00 73.14 C ATOM 1329 CG LEU A 87 5.036 -4.470 0.335 1.00 53.34 C ATOM 1330 CD1 LEU A 87 3.889 -5.468 0.500 1.00 65.24 C ATOM 1331 CD2 LEU A 87 6.289 -4.954 1.061 1.00 23.02 C ATOM 0 H LEU A 87 5.445 -3.012 -3.529 1.00 75.32 H new ATOM 0 HA LEU A 87 3.303 -4.238 -1.893 1.00 61.14 H new ATOM 0 HB2 LEU A 87 5.604 -5.164 -1.619 1.00 73.14 H new ATOM 0 HB3 LEU A 87 6.201 -3.563 -1.228 1.00 73.14 H new ATOM 0 HG LEU A 87 4.728 -3.526 0.785 1.00 53.34 H new ATOM 0 HD11 LEU A 87 3.698 -5.631 1.561 1.00 65.24 H new ATOM 0 HD12 LEU A 87 2.991 -5.072 0.026 1.00 65.24 H new ATOM 0 HD13 LEU A 87 4.159 -6.414 0.031 1.00 65.24 H new ATOM 0 HD21 LEU A 87 6.057 -5.127 2.112 1.00 23.02 H new ATOM 0 HD22 LEU A 87 6.636 -5.883 0.609 1.00 23.02 H new ATOM 0 HD23 LEU A 87 7.070 -4.198 0.982 1.00 23.02 H new ATOM 1343 N LEU A 88 2.841 -2.218 -0.452 1.00 44.52 N ATOM 1344 CA LEU A 88 2.457 -1.009 0.285 1.00 75.21 C ATOM 1345 C LEU A 88 2.383 -1.300 1.788 1.00 32.21 C ATOM 1346 O LEU A 88 1.696 -2.224 2.210 1.00 4.34 O ATOM 1347 CB LEU A 88 1.101 -0.486 -0.214 1.00 11.13 C ATOM 1348 CG LEU A 88 0.491 0.662 0.613 1.00 74.25 C ATOM 1349 CD1 LEU A 88 1.438 1.859 0.676 1.00 0.15 C ATOM 1350 CD2 LEU A 88 -0.865 1.073 0.042 1.00 32.14 C ATOM 0 H LEU A 88 2.293 -3.043 -0.209 1.00 44.52 H new ATOM 0 HA LEU A 88 3.215 -0.246 0.111 1.00 75.21 H new ATOM 0 HB2 LEU A 88 1.218 -0.147 -1.243 1.00 11.13 H new ATOM 0 HB3 LEU A 88 0.394 -1.316 -0.230 1.00 11.13 H new ATOM 0 HG LEU A 88 0.341 0.302 1.631 1.00 74.25 H new ATOM 0 HD11 LEU A 88 0.981 2.654 1.266 1.00 0.15 H new ATOM 0 HD12 LEU A 88 2.377 1.556 1.140 1.00 0.15 H new ATOM 0 HD13 LEU A 88 1.633 2.222 -0.333 1.00 0.15 H new ATOM 0 HD21 LEU A 88 -1.280 1.885 0.639 1.00 32.14 H new ATOM 0 HD22 LEU A 88 -0.740 1.407 -0.988 1.00 32.14 H new ATOM 0 HD23 LEU A 88 -1.544 0.220 0.067 1.00 32.14 H new ATOM 1362 N VAL A 89 3.096 -0.517 2.594 1.00 71.10 N ATOM 1363 CA VAL A 89 3.090 -0.704 4.052 1.00 53.45 C ATOM 1364 C VAL A 89 2.746 0.598 4.796 1.00 75.45 C ATOM 1365 O VAL A 89 3.382 1.633 4.587 1.00 21.13 O ATOM 1366 CB VAL A 89 4.457 -1.239 4.560 1.00 72.44 C ATOM 1367 CG1 VAL A 89 4.454 -1.409 6.081 1.00 53.20 C ATOM 1368 CG2 VAL A 89 4.814 -2.558 3.871 1.00 64.53 C ATOM 0 H VAL A 89 3.684 0.251 2.269 1.00 71.10 H new ATOM 0 HA VAL A 89 2.316 -1.441 4.264 1.00 53.45 H new ATOM 0 HB VAL A 89 5.218 -0.501 4.306 1.00 72.44 H new ATOM 0 HG11 VAL A 89 5.424 -1.785 6.407 1.00 53.20 H new ATOM 0 HG12 VAL A 89 4.260 -0.446 6.554 1.00 53.20 H new ATOM 0 HG13 VAL A 89 3.676 -2.117 6.366 1.00 53.20 H new ATOM 0 HG21 VAL A 89 5.775 -2.914 4.242 1.00 64.53 H new ATOM 0 HG22 VAL A 89 4.045 -3.300 4.085 1.00 64.53 H new ATOM 0 HG23 VAL A 89 4.877 -2.401 2.794 1.00 64.53 H new ATOM 1378 N LEU A 90 1.722 0.530 5.647 1.00 70.32 N ATOM 1379 CA LEU A 90 1.341 1.639 6.531 1.00 14.02 C ATOM 1380 C LEU A 90 1.859 1.395 7.954 1.00 1.30 C ATOM 1381 O LEU A 90 1.708 0.301 8.501 1.00 33.14 O ATOM 1382 CB LEU A 90 -0.188 1.792 6.581 1.00 14.22 C ATOM 1383 CG LEU A 90 -0.725 2.724 7.693 1.00 42.04 C ATOM 1384 CD1 LEU A 90 -0.469 4.194 7.375 1.00 41.42 C ATOM 1385 CD2 LEU A 90 -2.210 2.478 7.944 1.00 30.23 C ATOM 0 H LEU A 90 1.131 -0.295 5.745 1.00 70.32 H new ATOM 0 HA LEU A 90 1.785 2.550 6.130 1.00 14.02 H new ATOM 0 HB2 LEU A 90 -0.530 2.169 5.617 1.00 14.22 H new ATOM 0 HB3 LEU A 90 -0.631 0.805 6.712 1.00 14.22 H new ATOM 0 HG LEU A 90 -0.177 2.485 8.605 1.00 42.04 H new ATOM 0 HD11 LEU A 90 -0.861 4.814 8.181 1.00 41.42 H new ATOM 0 HD12 LEU A 90 0.603 4.363 7.276 1.00 41.42 H new ATOM 0 HD13 LEU A 90 -0.966 4.456 6.441 1.00 41.42 H new ATOM 0 HD21 LEU A 90 -2.562 3.146 8.730 1.00 30.23 H new ATOM 0 HD22 LEU A 90 -2.770 2.668 7.029 1.00 30.23 H new ATOM 0 HD23 LEU A 90 -2.360 1.444 8.253 1.00 30.23 H new ATOM 1397 N VAL A 91 2.451 2.420 8.554 1.00 21.22 N ATOM 1398 CA VAL A 91 2.943 2.329 9.929 1.00 23.40 C ATOM 1399 C VAL A 91 2.234 3.346 10.835 1.00 14.31 C ATOM 1400 O VAL A 91 2.461 4.552 10.728 1.00 51.23 O ATOM 1401 CB VAL A 91 4.469 2.557 9.986 1.00 62.24 C ATOM 1402 CG1 VAL A 91 4.984 2.392 11.410 1.00 43.11 C ATOM 1403 CG2 VAL A 91 5.186 1.605 9.032 1.00 65.32 C ATOM 0 H VAL A 91 2.604 3.326 8.112 1.00 21.22 H new ATOM 0 HA VAL A 91 2.724 1.324 10.289 1.00 23.40 H new ATOM 0 HB VAL A 91 4.679 3.579 9.669 1.00 62.24 H new ATOM 0 HG11 VAL A 91 6.061 2.557 11.429 1.00 43.11 H new ATOM 0 HG12 VAL A 91 4.495 3.117 12.060 1.00 43.11 H new ATOM 0 HG13 VAL A 91 4.765 1.384 11.762 1.00 43.11 H new ATOM 0 HG21 VAL A 91 6.261 1.779 9.084 1.00 65.32 H new ATOM 0 HG22 VAL A 91 4.971 0.575 9.316 1.00 65.32 H new ATOM 0 HG23 VAL A 91 4.839 1.781 8.014 1.00 65.32 H new ATOM 1413 N LEU A 92 1.383 2.845 11.731 1.00 45.44 N ATOM 1414 CA LEU A 92 0.542 3.697 12.584 1.00 12.14 C ATOM 1415 C LEU A 92 1.362 4.653 13.473 1.00 2.24 C ATOM 1416 O LEU A 92 1.031 5.836 13.585 1.00 5.30 O ATOM 1417 CB LEU A 92 -0.375 2.825 13.454 1.00 23.11 C ATOM 1418 CG LEU A 92 -1.269 3.583 14.454 1.00 74.30 C ATOM 1419 CD1 LEU A 92 -2.232 4.521 13.727 1.00 31.43 C ATOM 1420 CD2 LEU A 92 -2.033 2.602 15.340 1.00 60.42 C ATOM 0 H LEU A 92 1.255 1.845 11.888 1.00 45.44 H new ATOM 0 HA LEU A 92 -0.057 4.320 11.919 1.00 12.14 H new ATOM 0 HB2 LEU A 92 -1.015 2.236 12.797 1.00 23.11 H new ATOM 0 HB3 LEU A 92 0.245 2.121 14.010 1.00 23.11 H new ATOM 0 HG LEU A 92 -0.626 4.191 15.090 1.00 74.30 H new ATOM 0 HD11 LEU A 92 -2.851 5.043 14.456 1.00 31.43 H new ATOM 0 HD12 LEU A 92 -1.663 5.248 13.147 1.00 31.43 H new ATOM 0 HD13 LEU A 92 -2.869 3.942 13.059 1.00 31.43 H new ATOM 0 HD21 LEU A 92 -2.659 3.155 16.040 1.00 60.42 H new ATOM 0 HD22 LEU A 92 -2.661 1.963 14.719 1.00 60.42 H new ATOM 0 HD23 LEU A 92 -1.325 1.986 15.895 1.00 60.42 H new ATOM 1432 N ASP A 93 2.434 4.155 14.098 1.00 43.43 N ATOM 1433 CA ASP A 93 3.231 4.990 15.019 1.00 25.24 C ATOM 1434 C ASP A 93 3.998 6.090 14.262 1.00 5.04 C ATOM 1435 O ASP A 93 4.444 7.078 14.853 1.00 54.44 O ATOM 1436 CB ASP A 93 4.194 4.135 15.869 1.00 5.22 C ATOM 1437 CG ASP A 93 5.486 3.757 15.155 1.00 44.13 C ATOM 1438 OD1 ASP A 93 5.476 2.802 14.361 1.00 75.33 O ATOM 1439 OD2 ASP A 93 6.524 4.408 15.408 1.00 4.23 O ATOM 0 H ASP A 93 2.770 3.198 13.990 1.00 43.43 H new ATOM 0 HA ASP A 93 2.531 5.477 15.698 1.00 25.24 H new ATOM 0 HB2 ASP A 93 4.441 4.682 16.779 1.00 5.22 H new ATOM 0 HB3 ASP A 93 3.680 3.223 16.174 1.00 5.22 H new ATOM 1444 N GLN A 94 4.141 5.914 12.951 1.00 21.14 N ATOM 1445 CA GLN A 94 4.800 6.908 12.094 1.00 12.31 C ATOM 1446 C GLN A 94 3.777 7.715 11.273 1.00 14.24 C ATOM 1447 O GLN A 94 4.094 8.793 10.765 1.00 21.14 O ATOM 1448 CB GLN A 94 5.784 6.208 11.145 1.00 65.01 C ATOM 1449 CG GLN A 94 6.870 5.408 11.860 1.00 50.42 C ATOM 1450 CD GLN A 94 7.840 6.279 12.643 1.00 62.33 C ATOM 1451 OE1 GLN A 94 8.129 7.411 12.265 1.00 54.45 O ATOM 1452 NE2 GLN A 94 8.336 5.765 13.747 1.00 64.14 N ATOM 0 H GLN A 94 3.809 5.089 12.452 1.00 21.14 H new ATOM 0 HA GLN A 94 5.338 7.601 12.740 1.00 12.31 H new ATOM 0 HB2 GLN A 94 5.227 5.540 10.488 1.00 65.01 H new ATOM 0 HB3 GLN A 94 6.257 6.957 10.510 1.00 65.01 H new ATOM 0 HG2 GLN A 94 6.400 4.697 12.540 1.00 50.42 H new ATOM 0 HG3 GLN A 94 7.426 4.826 11.125 1.00 50.42 H new ATOM 0 HE21 GLN A 94 8.075 4.821 14.032 1.00 64.14 H new ATOM 0 HE22 GLN A 94 8.982 6.310 14.318 1.00 64.14 H new ATOM 1461 N ARG A 95 2.557 7.178 11.142 1.00 30.22 N ATOM 1462 CA ARG A 95 1.501 7.789 10.314 1.00 34.42 C ATOM 1463 C ARG A 95 1.949 7.953 8.851 1.00 4.11 C ATOM 1464 O ARG A 95 1.454 8.815 8.124 1.00 2.41 O ATOM 1465 CB ARG A 95 1.058 9.137 10.908 1.00 41.41 C ATOM 1466 CG ARG A 95 0.235 8.995 12.184 1.00 23.55 C ATOM 1467 CD ARG A 95 -0.080 10.345 12.815 1.00 62.44 C ATOM 1468 NE ARG A 95 1.114 10.989 13.359 1.00 0.33 N ATOM 1469 CZ ARG A 95 1.096 11.920 14.274 1.00 64.53 C ATOM 1470 NH1 ARG A 95 -0.020 12.377 14.737 1.00 11.10 N ATOM 1471 NH2 ARG A 95 2.207 12.403 14.718 1.00 1.24 N ATOM 0 H ARG A 95 2.272 6.314 11.602 1.00 30.22 H new ATOM 0 HA ARG A 95 0.646 7.113 10.318 1.00 34.42 H new ATOM 0 HB2 ARG A 95 1.941 9.740 11.119 1.00 41.41 H new ATOM 0 HB3 ARG A 95 0.472 9.678 10.165 1.00 41.41 H new ATOM 0 HG2 ARG A 95 -0.696 8.475 11.959 1.00 23.55 H new ATOM 0 HG3 ARG A 95 0.780 8.379 12.900 1.00 23.55 H new ATOM 0 HD2 ARG A 95 -0.535 10.996 12.069 1.00 62.44 H new ATOM 0 HD3 ARG A 95 -0.813 10.211 13.610 1.00 62.44 H new ATOM 0 HE ARG A 95 2.021 10.691 13.000 1.00 0.33 H new ATOM 0 HH11 ARG A 95 -0.905 12.010 14.388 1.00 11.10 H new ATOM 0 HH12 ARG A 95 -0.016 13.105 15.452 1.00 11.10 H new ATOM 0 HH21 ARG A 95 3.095 12.057 14.354 1.00 1.24 H new ATOM 0 HH22 ARG A 95 2.197 13.131 15.433 1.00 1.24 H new ATOM 1485 N ARG A 96 2.865 7.090 8.419 1.00 30.41 N ATOM 1486 CA ARG A 96 3.401 7.132 7.054 1.00 23.45 C ATOM 1487 C ARG A 96 3.164 5.815 6.314 1.00 15.52 C ATOM 1488 O ARG A 96 2.981 4.762 6.928 1.00 13.51 O ATOM 1489 CB ARG A 96 4.907 7.419 7.081 1.00 35.51 C ATOM 1490 CG ARG A 96 5.270 8.749 7.723 1.00 5.01 C ATOM 1491 CD ARG A 96 6.780 8.904 7.881 1.00 62.24 C ATOM 1492 NE ARG A 96 7.139 10.096 8.645 1.00 3.22 N ATOM 1493 CZ ARG A 96 8.349 10.362 9.058 1.00 44.14 C ATOM 1494 NH1 ARG A 96 9.333 9.568 8.779 1.00 35.04 N ATOM 1495 NH2 ARG A 96 8.573 11.431 9.744 1.00 35.25 N ATOM 0 H ARG A 96 3.256 6.346 8.997 1.00 30.41 H new ATOM 0 HA ARG A 96 2.877 7.929 6.527 1.00 23.45 H new ATOM 0 HB2 ARG A 96 5.410 6.617 7.621 1.00 35.51 H new ATOM 0 HB3 ARG A 96 5.288 7.404 6.060 1.00 35.51 H new ATOM 0 HG2 ARG A 96 4.882 9.565 7.114 1.00 5.01 H new ATOM 0 HG3 ARG A 96 4.792 8.825 8.700 1.00 5.01 H new ATOM 0 HD2 ARG A 96 7.183 8.022 8.378 1.00 62.24 H new ATOM 0 HD3 ARG A 96 7.243 8.954 6.895 1.00 62.24 H new ATOM 0 HE ARG A 96 6.399 10.761 8.870 1.00 3.22 H new ATOM 0 HH11 ARG A 96 9.168 8.724 8.231 1.00 35.04 H new ATOM 0 HH12 ARG A 96 10.274 9.787 9.107 1.00 35.04 H new ATOM 0 HH21 ARG A 96 7.806 12.067 9.963 1.00 35.25 H new ATOM 0 HH22 ARG A 96 9.517 11.641 10.068 1.00 35.25 H new ATOM 1509 N VAL A 97 3.179 5.889 4.992 1.00 64.30 N ATOM 1510 CA VAL A 97 3.098 4.700 4.138 1.00 34.42 C ATOM 1511 C VAL A 97 4.256 4.696 3.129 1.00 23.12 C ATOM 1512 O VAL A 97 4.844 5.742 2.848 1.00 50.24 O ATOM 1513 CB VAL A 97 1.747 4.615 3.373 1.00 21.31 C ATOM 1514 CG1 VAL A 97 0.566 4.720 4.324 1.00 33.30 C ATOM 1515 CG2 VAL A 97 1.654 5.680 2.283 1.00 35.34 C ATOM 0 H VAL A 97 3.247 6.767 4.477 1.00 64.30 H new ATOM 0 HA VAL A 97 3.167 3.830 4.792 1.00 34.42 H new ATOM 0 HB VAL A 97 1.710 3.637 2.892 1.00 21.31 H new ATOM 0 HG11 VAL A 97 -0.363 4.657 3.758 1.00 33.30 H new ATOM 0 HG12 VAL A 97 0.607 3.905 5.046 1.00 33.30 H new ATOM 0 HG13 VAL A 97 0.606 5.674 4.850 1.00 33.30 H new ATOM 0 HG21 VAL A 97 0.697 5.592 1.769 1.00 35.34 H new ATOM 0 HG22 VAL A 97 1.734 6.669 2.733 1.00 35.34 H new ATOM 0 HG23 VAL A 97 2.465 5.540 1.568 1.00 35.34 H new ATOM 1525 N ARG A 98 4.590 3.527 2.590 1.00 73.44 N ATOM 1526 CA ARG A 98 5.698 3.421 1.633 1.00 74.31 C ATOM 1527 C ARG A 98 5.445 2.301 0.608 1.00 13.15 C ATOM 1528 O ARG A 98 5.092 1.178 0.971 1.00 61.23 O ATOM 1529 CB ARG A 98 7.018 3.187 2.398 1.00 41.53 C ATOM 1530 CG ARG A 98 8.272 3.723 1.698 1.00 3.42 C ATOM 1531 CD ARG A 98 8.775 2.808 0.587 1.00 44.33 C ATOM 1532 NE ARG A 98 9.955 3.365 -0.078 1.00 42.42 N ATOM 1533 CZ ARG A 98 9.954 3.899 -1.271 1.00 11.25 C ATOM 1534 NH1 ARG A 98 8.884 3.910 -1.991 1.00 31.54 N ATOM 1535 NH2 ARG A 98 11.036 4.410 -1.757 1.00 54.23 N ATOM 0 H ARG A 98 4.118 2.646 2.794 1.00 73.44 H new ATOM 0 HA ARG A 98 5.772 4.355 1.076 1.00 74.31 H new ATOM 0 HB2 ARG A 98 6.940 3.654 3.380 1.00 41.53 H new ATOM 0 HB3 ARG A 98 7.141 2.117 2.563 1.00 41.53 H new ATOM 0 HG2 ARG A 98 8.055 4.706 1.280 1.00 3.42 H new ATOM 0 HG3 ARG A 98 9.063 3.857 2.436 1.00 3.42 H new ATOM 0 HD2 ARG A 98 9.019 1.830 1.003 1.00 44.33 H new ATOM 0 HD3 ARG A 98 7.982 2.655 -0.145 1.00 44.33 H new ATOM 0 HE ARG A 98 10.841 3.334 0.426 1.00 42.42 H new ATOM 0 HH11 ARG A 98 8.023 3.498 -1.631 1.00 31.54 H new ATOM 0 HH12 ARG A 98 8.899 4.330 -2.920 1.00 31.54 H new ATOM 0 HH21 ARG A 98 11.896 4.398 -1.209 1.00 54.23 H new ATOM 0 HH22 ARG A 98 11.030 4.826 -2.689 1.00 54.23 H new ATOM 1549 N PHE A 99 5.621 2.627 -0.674 1.00 5.31 N ATOM 1550 CA PHE A 99 5.433 1.662 -1.772 1.00 53.44 C ATOM 1551 C PHE A 99 6.774 1.050 -2.212 1.00 21.11 C ATOM 1552 O PHE A 99 7.818 1.675 -2.072 1.00 0.32 O ATOM 1553 CB PHE A 99 4.773 2.352 -2.976 1.00 72.31 C ATOM 1554 CG PHE A 99 3.381 2.879 -2.719 1.00 64.24 C ATOM 1555 CD1 PHE A 99 3.188 4.119 -2.123 1.00 60.00 C ATOM 1556 CD2 PHE A 99 2.265 2.140 -3.089 1.00 72.02 C ATOM 1557 CE1 PHE A 99 1.913 4.605 -1.897 1.00 53.04 C ATOM 1558 CE2 PHE A 99 0.991 2.623 -2.866 1.00 60.43 C ATOM 1559 CZ PHE A 99 0.814 3.857 -2.271 1.00 32.24 C ATOM 0 H PHE A 99 5.896 3.559 -0.984 1.00 5.31 H new ATOM 0 HA PHE A 99 4.788 0.863 -1.405 1.00 53.44 H new ATOM 0 HB2 PHE A 99 5.407 3.180 -3.295 1.00 72.31 H new ATOM 0 HB3 PHE A 99 4.731 1.645 -3.804 1.00 72.31 H new ATOM 0 HD1 PHE A 99 4.044 4.710 -1.833 1.00 60.00 H new ATOM 0 HD2 PHE A 99 2.395 1.175 -3.557 1.00 72.02 H new ATOM 0 HE1 PHE A 99 1.777 5.569 -1.428 1.00 53.04 H new ATOM 0 HE2 PHE A 99 0.132 2.036 -3.157 1.00 60.43 H new ATOM 0 HZ PHE A 99 -0.182 4.236 -2.099 1.00 32.24 H new ATOM 1569 N GLU A 100 6.742 -0.163 -2.758 1.00 25.25 N ATOM 1570 CA GLU A 100 7.969 -0.828 -3.234 1.00 20.03 C ATOM 1571 C GLU A 100 7.721 -1.510 -4.594 1.00 74.11 C ATOM 1572 O GLU A 100 6.962 -2.478 -4.676 1.00 72.13 O ATOM 1573 CB GLU A 100 8.433 -1.869 -2.189 1.00 64.32 C ATOM 1574 CG GLU A 100 9.948 -2.089 -2.114 1.00 13.31 C ATOM 1575 CD GLU A 100 10.576 -2.556 -3.422 1.00 44.04 C ATOM 1576 OE1 GLU A 100 10.509 -3.765 -3.729 1.00 45.33 O ATOM 1577 OE2 GLU A 100 11.158 -1.711 -4.137 1.00 70.32 O ATOM 0 H GLU A 100 5.890 -0.709 -2.885 1.00 25.25 H new ATOM 0 HA GLU A 100 8.750 -0.079 -3.365 1.00 20.03 H new ATOM 0 HB2 GLU A 100 8.078 -1.557 -1.207 1.00 64.32 H new ATOM 0 HB3 GLU A 100 7.954 -2.822 -2.412 1.00 64.32 H new ATOM 0 HG2 GLU A 100 10.424 -1.158 -1.807 1.00 13.31 H new ATOM 0 HG3 GLU A 100 10.159 -2.826 -1.339 1.00 13.31 H new ATOM 1584 N THR A 101 8.342 -0.994 -5.659 1.00 51.14 N ATOM 1585 CA THR A 101 8.225 -1.602 -6.999 1.00 55.23 C ATOM 1586 C THR A 101 9.453 -2.437 -7.357 1.00 2.01 C ATOM 1587 O THR A 101 10.588 -2.079 -7.035 1.00 65.14 O ATOM 1588 CB THR A 101 8.029 -0.553 -8.124 1.00 3.14 C ATOM 1589 OG1 THR A 101 8.990 0.506 -8.002 1.00 10.43 O ATOM 1590 CG2 THR A 101 6.618 0.017 -8.120 1.00 22.55 C ATOM 0 H THR A 101 8.929 -0.161 -5.626 1.00 51.14 H new ATOM 0 HA THR A 101 7.340 -2.235 -6.938 1.00 55.23 H new ATOM 0 HB THR A 101 8.182 -1.063 -9.075 1.00 3.14 H new ATOM 0 HG1 THR A 101 9.512 0.571 -8.829 1.00 10.43 H new ATOM 0 HG21 THR A 101 6.519 0.748 -8.922 1.00 22.55 H new ATOM 0 HG22 THR A 101 5.900 -0.789 -8.273 1.00 22.55 H new ATOM 0 HG23 THR A 101 6.423 0.500 -7.162 1.00 22.55 H new ATOM 1598 N GLY A 102 9.220 -3.552 -8.037 1.00 45.52 N ATOM 1599 CA GLY A 102 10.317 -4.365 -8.531 1.00 61.32 C ATOM 1600 C GLY A 102 10.999 -3.765 -9.757 1.00 75.03 C ATOM 1601 O GLY A 102 11.909 -2.941 -9.641 1.00 34.33 O ATOM 0 H GLY A 102 8.290 -3.909 -8.256 1.00 45.52 H new ATOM 0 HA2 GLY A 102 11.054 -4.492 -7.738 1.00 61.32 H new ATOM 0 HA3 GLY A 102 9.943 -5.358 -8.780 1.00 61.32 H new ATOM 1605 N TYR A 103 10.559 -4.191 -10.934 1.00 13.44 N ATOM 1606 CA TYR A 103 11.163 -3.765 -12.198 1.00 32.54 C ATOM 1607 C TYR A 103 10.120 -3.691 -13.327 1.00 10.15 C ATOM 1608 O TYR A 103 10.238 -2.887 -14.252 1.00 62.34 O ATOM 1609 CB TYR A 103 12.292 -4.740 -12.569 1.00 51.41 C ATOM 1610 CG TYR A 103 12.702 -4.690 -14.025 1.00 23.13 C ATOM 1611 CD1 TYR A 103 13.570 -3.714 -14.499 1.00 52.30 C ATOM 1612 CD2 TYR A 103 12.210 -5.626 -14.924 1.00 35.52 C ATOM 1613 CE1 TYR A 103 13.931 -3.672 -15.833 1.00 22.20 C ATOM 1614 CE2 TYR A 103 12.565 -5.592 -16.256 1.00 10.34 C ATOM 1615 CZ TYR A 103 13.428 -4.615 -16.706 1.00 45.41 C ATOM 1616 OH TYR A 103 13.785 -4.579 -18.037 1.00 4.51 O ATOM 0 H TYR A 103 9.778 -4.838 -11.044 1.00 13.44 H new ATOM 0 HA TYR A 103 11.570 -2.762 -12.070 1.00 32.54 H new ATOM 0 HB2 TYR A 103 13.163 -4.522 -11.950 1.00 51.41 H new ATOM 0 HB3 TYR A 103 11.975 -5.754 -12.327 1.00 51.41 H new ATOM 0 HD1 TYR A 103 13.968 -2.978 -13.816 1.00 52.30 H new ATOM 0 HD2 TYR A 103 11.537 -6.395 -14.574 1.00 35.52 H new ATOM 0 HE1 TYR A 103 14.603 -2.905 -16.190 1.00 22.20 H new ATOM 0 HE2 TYR A 103 12.170 -6.326 -16.943 1.00 10.34 H new ATOM 0 HH TYR A 103 13.345 -5.313 -18.514 1.00 4.51 H new ATOM 1626 N GLY A 104 9.089 -4.523 -13.238 1.00 21.34 N ATOM 1627 CA GLY A 104 8.089 -4.600 -14.300 1.00 13.41 C ATOM 1628 C GLY A 104 7.115 -3.430 -14.290 1.00 35.22 C ATOM 1629 O GLY A 104 6.356 -3.236 -15.240 1.00 54.13 O ATOM 0 H GLY A 104 8.923 -5.149 -12.450 1.00 21.34 H new ATOM 0 HA2 GLY A 104 8.595 -4.636 -15.265 1.00 13.41 H new ATOM 0 HA3 GLY A 104 7.531 -5.531 -14.198 1.00 13.41 H new ATOM 1633 N LEU A 105 7.123 -2.658 -13.202 1.00 31.10 N ATOM 1634 CA LEU A 105 6.243 -1.496 -13.065 1.00 70.13 C ATOM 1635 C LEU A 105 6.994 -0.174 -13.278 1.00 23.12 C ATOM 1636 O LEU A 105 6.397 0.894 -13.200 1.00 75.20 O ATOM 1637 CB LEU A 105 5.574 -1.507 -11.684 1.00 55.14 C ATOM 1638 CG LEU A 105 4.669 -2.719 -11.410 1.00 15.24 C ATOM 1639 CD1 LEU A 105 4.090 -2.659 -10.000 1.00 61.44 C ATOM 1640 CD2 LEU A 105 3.551 -2.803 -12.448 1.00 40.23 C ATOM 0 H LEU A 105 7.732 -2.818 -12.400 1.00 31.10 H new ATOM 0 HA LEU A 105 5.482 -1.566 -13.842 1.00 70.13 H new ATOM 0 HB2 LEU A 105 6.351 -1.473 -10.920 1.00 55.14 H new ATOM 0 HB3 LEU A 105 4.981 -0.598 -11.577 1.00 55.14 H new ATOM 0 HG LEU A 105 5.278 -3.620 -11.488 1.00 15.24 H new ATOM 0 HD11 LEU A 105 3.453 -3.527 -9.831 1.00 61.44 H new ATOM 0 HD12 LEU A 105 4.902 -2.657 -9.273 1.00 61.44 H new ATOM 0 HD13 LEU A 105 3.500 -1.749 -9.887 1.00 61.44 H new ATOM 0 HD21 LEU A 105 2.922 -3.668 -12.236 1.00 40.23 H new ATOM 0 HD22 LEU A 105 2.947 -1.896 -12.407 1.00 40.23 H new ATOM 0 HD23 LEU A 105 3.985 -2.905 -13.443 1.00 40.23 H new ATOM 1652 N GLU A 106 8.290 -0.244 -13.573 1.00 52.24 N ATOM 1653 CA GLU A 106 9.096 0.967 -13.799 1.00 62.03 C ATOM 1654 C GLU A 106 8.595 1.748 -15.024 1.00 4.21 C ATOM 1655 O GLU A 106 8.812 2.958 -15.145 1.00 4.32 O ATOM 1656 CB GLU A 106 10.577 0.599 -13.975 1.00 14.41 C ATOM 1657 CG GLU A 106 11.174 -0.150 -12.786 1.00 32.13 C ATOM 1658 CD GLU A 106 11.050 0.617 -11.478 1.00 62.12 C ATOM 1659 OE1 GLU A 106 11.803 1.598 -11.289 1.00 42.55 O ATOM 1660 OE2 GLU A 106 10.198 0.252 -10.643 1.00 53.01 O ATOM 0 H GLU A 106 8.808 -1.118 -13.662 1.00 52.24 H new ATOM 0 HA GLU A 106 8.991 1.607 -12.923 1.00 62.03 H new ATOM 0 HB2 GLU A 106 10.685 -0.014 -14.870 1.00 14.41 H new ATOM 0 HB3 GLU A 106 11.150 1.511 -14.143 1.00 14.41 H new ATOM 0 HG2 GLU A 106 10.676 -1.114 -12.684 1.00 32.13 H new ATOM 0 HG3 GLU A 106 12.226 -0.354 -12.983 1.00 32.13 H new ATOM 1667 N GLY A 107 7.924 1.045 -15.933 1.00 22.23 N ATOM 1668 CA GLY A 107 7.321 1.686 -17.097 1.00 71.43 C ATOM 1669 C GLY A 107 5.894 2.173 -16.844 1.00 31.50 C ATOM 1670 O GLY A 107 5.203 2.605 -17.768 1.00 22.31 O ATOM 0 H GLY A 107 7.785 0.036 -15.886 1.00 22.23 H new ATOM 0 HA2 GLY A 107 7.939 2.532 -17.399 1.00 71.43 H new ATOM 0 HA3 GLY A 107 7.316 0.982 -17.929 1.00 71.43 H new ATOM 1674 N TYR A 108 5.451 2.102 -15.588 1.00 74.14 N ATOM 1675 CA TYR A 108 4.101 2.544 -15.208 1.00 41.12 C ATOM 1676 C TYR A 108 4.141 3.413 -13.936 1.00 45.43 C ATOM 1677 O TYR A 108 3.781 4.590 -13.954 1.00 3.14 O ATOM 1678 CB TYR A 108 3.185 1.337 -14.944 1.00 12.13 C ATOM 1679 CG TYR A 108 3.230 0.240 -15.998 1.00 34.35 C ATOM 1680 CD1 TYR A 108 2.639 0.407 -17.246 1.00 41.14 C ATOM 1681 CD2 TYR A 108 3.855 -0.974 -15.730 1.00 11.23 C ATOM 1682 CE1 TYR A 108 2.674 -0.604 -18.193 1.00 43.24 C ATOM 1683 CE2 TYR A 108 3.890 -1.987 -16.667 1.00 71.23 C ATOM 1684 CZ TYR A 108 3.301 -1.800 -17.896 1.00 23.33 C ATOM 1685 OH TYR A 108 3.332 -2.816 -18.829 1.00 31.40 O ATOM 0 H TYR A 108 6.006 1.742 -14.812 1.00 74.14 H new ATOM 0 HA TYR A 108 3.709 3.131 -16.039 1.00 41.12 H new ATOM 0 HB2 TYR A 108 3.453 0.903 -13.981 1.00 12.13 H new ATOM 0 HB3 TYR A 108 2.158 1.693 -14.859 1.00 12.13 H new ATOM 0 HD1 TYR A 108 2.145 1.339 -17.480 1.00 41.14 H new ATOM 0 HD2 TYR A 108 4.323 -1.127 -14.769 1.00 11.23 H new ATOM 0 HE1 TYR A 108 2.213 -0.458 -19.159 1.00 43.24 H new ATOM 0 HE2 TYR A 108 4.378 -2.923 -16.436 1.00 71.23 H new ATOM 0 HH TYR A 108 3.853 -3.568 -18.477 1.00 31.40 H new ATOM 1695 N LEU A 109 4.587 2.804 -12.837 1.00 21.42 N ATOM 1696 CA LEU A 109 4.595 3.435 -11.509 1.00 31.23 C ATOM 1697 C LEU A 109 6.028 3.704 -11.006 1.00 31.23 C ATOM 1698 O LEU A 109 6.636 2.841 -10.372 1.00 73.11 O ATOM 1699 CB LEU A 109 3.891 2.499 -10.514 1.00 71.50 C ATOM 1700 CG LEU A 109 2.459 2.089 -10.891 1.00 23.31 C ATOM 1701 CD1 LEU A 109 2.052 0.823 -10.144 1.00 54.32 C ATOM 1702 CD2 LEU A 109 1.483 3.226 -10.600 1.00 51.24 C ATOM 0 H LEU A 109 4.956 1.853 -12.839 1.00 21.42 H new ATOM 0 HA LEU A 109 4.079 4.392 -11.587 1.00 31.23 H new ATOM 0 HB2 LEU A 109 4.492 1.596 -10.404 1.00 71.50 H new ATOM 0 HB3 LEU A 109 3.866 2.986 -9.539 1.00 71.50 H new ATOM 0 HG LEU A 109 2.429 1.879 -11.960 1.00 23.31 H new ATOM 0 HD11 LEU A 109 1.035 0.547 -10.423 1.00 54.32 H new ATOM 0 HD12 LEU A 109 2.732 0.012 -10.404 1.00 54.32 H new ATOM 0 HD13 LEU A 109 2.097 1.004 -9.070 1.00 54.32 H new ATOM 0 HD21 LEU A 109 0.474 2.918 -10.873 1.00 51.24 H new ATOM 0 HD22 LEU A 109 1.513 3.469 -9.538 1.00 51.24 H new ATOM 0 HD23 LEU A 109 1.764 4.104 -11.181 1.00 51.24 H new ATOM 1714 N PRO A 110 6.602 4.888 -11.291 1.00 72.10 N ATOM 1715 CA PRO A 110 7.909 5.270 -10.731 1.00 22.32 C ATOM 1716 C PRO A 110 7.819 5.633 -9.235 1.00 31.53 C ATOM 1717 O PRO A 110 6.799 6.155 -8.772 1.00 21.13 O ATOM 1718 CB PRO A 110 8.311 6.488 -11.572 1.00 11.43 C ATOM 1719 CG PRO A 110 7.018 7.078 -12.033 1.00 1.42 C ATOM 1720 CD PRO A 110 6.055 5.925 -12.188 1.00 11.20 C ATOM 0 HA PRO A 110 8.632 4.456 -10.775 1.00 22.32 H new ATOM 0 HB2 PRO A 110 8.884 7.204 -10.983 1.00 11.43 H new ATOM 0 HB3 PRO A 110 8.936 6.197 -12.416 1.00 11.43 H new ATOM 0 HG2 PRO A 110 6.643 7.803 -11.311 1.00 1.42 H new ATOM 0 HG3 PRO A 110 7.147 7.606 -12.978 1.00 1.42 H new ATOM 0 HD2 PRO A 110 5.042 6.208 -11.902 1.00 11.20 H new ATOM 0 HD3 PRO A 110 6.009 5.578 -13.220 1.00 11.20 H new ATOM 1728 N ASP A 111 8.890 5.359 -8.488 1.00 61.30 N ATOM 1729 CA ASP A 111 8.931 5.614 -7.040 1.00 13.22 C ATOM 1730 C ASP A 111 8.447 7.034 -6.686 1.00 72.35 C ATOM 1731 O ASP A 111 7.699 7.224 -5.726 1.00 0.14 O ATOM 1732 CB ASP A 111 10.357 5.393 -6.519 1.00 21.41 C ATOM 1733 CG ASP A 111 10.470 5.603 -5.020 1.00 72.51 C ATOM 1734 OD1 ASP A 111 9.936 4.772 -4.261 1.00 13.22 O ATOM 1735 OD2 ASP A 111 11.097 6.597 -4.591 1.00 34.31 O ATOM 0 H ASP A 111 9.749 4.957 -8.863 1.00 61.30 H new ATOM 0 HA ASP A 111 8.249 4.913 -6.558 1.00 13.22 H new ATOM 0 HB2 ASP A 111 10.677 4.381 -6.765 1.00 21.41 H new ATOM 0 HB3 ASP A 111 11.036 6.075 -7.030 1.00 21.41 H new ATOM 1740 N GLY A 112 8.877 8.021 -7.468 1.00 52.15 N ATOM 1741 CA GLY A 112 8.438 9.397 -7.256 1.00 3.11 C ATOM 1742 C GLY A 112 6.921 9.564 -7.346 1.00 52.43 C ATOM 1743 O GLY A 112 6.313 10.238 -6.512 1.00 42.34 O ATOM 0 H GLY A 112 9.523 7.896 -8.247 1.00 52.15 H new ATOM 0 HA2 GLY A 112 8.777 9.733 -6.276 1.00 3.11 H new ATOM 0 HA3 GLY A 112 8.913 10.041 -7.996 1.00 3.11 H new ATOM 1747 N LEU A 113 6.310 8.951 -8.362 1.00 33.53 N ATOM 1748 CA LEU A 113 4.848 8.957 -8.512 1.00 61.32 C ATOM 1749 C LEU A 113 4.176 8.360 -7.272 1.00 61.25 C ATOM 1750 O LEU A 113 3.274 8.958 -6.688 1.00 51.20 O ATOM 1751 CB LEU A 113 4.437 8.162 -9.760 1.00 22.24 C ATOM 1752 CG LEU A 113 2.921 8.013 -9.983 1.00 34.54 C ATOM 1753 CD1 LEU A 113 2.273 9.374 -10.213 1.00 74.40 C ATOM 1754 CD2 LEU A 113 2.636 7.070 -11.152 1.00 30.32 C ATOM 0 H LEU A 113 6.803 8.443 -9.096 1.00 33.53 H new ATOM 0 HA LEU A 113 4.521 9.991 -8.624 1.00 61.32 H new ATOM 0 HB2 LEU A 113 4.869 8.646 -10.636 1.00 22.24 H new ATOM 0 HB3 LEU A 113 4.877 7.167 -9.696 1.00 22.24 H new ATOM 0 HG LEU A 113 2.485 7.578 -9.083 1.00 34.54 H new ATOM 0 HD11 LEU A 113 1.202 9.245 -10.368 1.00 74.40 H new ATOM 0 HD12 LEU A 113 2.440 10.008 -9.342 1.00 74.40 H new ATOM 0 HD13 LEU A 113 2.714 9.843 -11.093 1.00 74.40 H new ATOM 0 HD21 LEU A 113 1.559 6.979 -11.292 1.00 30.32 H new ATOM 0 HD22 LEU A 113 3.087 7.469 -12.060 1.00 30.32 H new ATOM 0 HD23 LEU A 113 3.058 6.088 -10.939 1.00 30.32 H new ATOM 1766 N LEU A 114 4.640 7.180 -6.872 1.00 33.53 N ATOM 1767 CA LEU A 114 4.127 6.502 -5.678 1.00 51.13 C ATOM 1768 C LEU A 114 4.286 7.384 -4.428 1.00 64.54 C ATOM 1769 O LEU A 114 3.411 7.420 -3.560 1.00 3.20 O ATOM 1770 CB LEU A 114 4.864 5.170 -5.482 1.00 34.13 C ATOM 1771 CG LEU A 114 4.743 4.177 -6.649 1.00 24.32 C ATOM 1772 CD1 LEU A 114 5.628 2.957 -6.414 1.00 74.32 C ATOM 1773 CD2 LEU A 114 3.287 3.759 -6.854 1.00 1.21 C ATOM 0 H LEU A 114 5.375 6.668 -7.359 1.00 33.53 H new ATOM 0 HA LEU A 114 3.064 6.310 -5.821 1.00 51.13 H new ATOM 0 HB2 LEU A 114 5.920 5.379 -5.312 1.00 34.13 H new ATOM 0 HB3 LEU A 114 4.484 4.692 -4.579 1.00 34.13 H new ATOM 0 HG LEU A 114 5.085 4.675 -7.557 1.00 24.32 H new ATOM 0 HD11 LEU A 114 5.527 2.267 -7.252 1.00 74.32 H new ATOM 0 HD12 LEU A 114 6.668 3.273 -6.327 1.00 74.32 H new ATOM 0 HD13 LEU A 114 5.323 2.458 -5.494 1.00 74.32 H new ATOM 0 HD21 LEU A 114 3.224 3.056 -7.685 1.00 1.21 H new ATOM 0 HD22 LEU A 114 2.914 3.283 -5.947 1.00 1.21 H new ATOM 0 HD23 LEU A 114 2.684 4.639 -7.077 1.00 1.21 H new ATOM 1785 N SER A 115 5.408 8.100 -4.353 1.00 4.21 N ATOM 1786 CA SER A 115 5.668 9.033 -3.247 1.00 11.52 C ATOM 1787 C SER A 115 4.686 10.212 -3.281 1.00 21.11 C ATOM 1788 O SER A 115 4.213 10.673 -2.239 1.00 42.30 O ATOM 1789 CB SER A 115 7.112 9.552 -3.305 1.00 60.24 C ATOM 1790 OG SER A 115 7.386 10.449 -2.236 1.00 60.23 O ATOM 0 H SER A 115 6.156 8.054 -5.045 1.00 4.21 H new ATOM 0 HA SER A 115 5.526 8.490 -2.312 1.00 11.52 H new ATOM 0 HB2 SER A 115 7.804 8.711 -3.262 1.00 60.24 H new ATOM 0 HB3 SER A 115 7.281 10.056 -4.257 1.00 60.24 H new ATOM 0 HG SER A 115 8.313 10.761 -2.300 1.00 60.23 H new ATOM 1796 N ARG A 116 4.367 10.689 -4.485 1.00 31.05 N ATOM 1797 CA ARG A 116 3.391 11.771 -4.648 1.00 3.51 C ATOM 1798 C ARG A 116 1.987 11.320 -4.217 1.00 10.24 C ATOM 1799 O ARG A 116 1.286 12.042 -3.507 1.00 70.30 O ATOM 1800 CB ARG A 116 3.343 12.264 -6.102 1.00 23.53 C ATOM 1801 CG ARG A 116 2.321 13.377 -6.311 1.00 32.25 C ATOM 1802 CD ARG A 116 2.136 13.753 -7.774 1.00 73.05 C ATOM 1803 NE ARG A 116 1.065 14.736 -7.930 1.00 41.03 N ATOM 1804 CZ ARG A 116 1.061 15.705 -8.803 1.00 62.03 C ATOM 1805 NH1 ARG A 116 2.042 15.853 -9.633 1.00 4.43 N ATOM 1806 NH2 ARG A 116 0.068 16.532 -8.833 1.00 12.14 N ATOM 0 H ARG A 116 4.767 10.346 -5.358 1.00 31.05 H new ATOM 0 HA ARG A 116 3.714 12.592 -4.007 1.00 3.51 H new ATOM 0 HB2 ARG A 116 4.330 12.623 -6.393 1.00 23.53 H new ATOM 0 HB3 ARG A 116 3.102 11.427 -6.758 1.00 23.53 H new ATOM 0 HG2 ARG A 116 1.362 13.063 -5.899 1.00 32.25 H new ATOM 0 HG3 ARG A 116 2.634 14.259 -5.753 1.00 32.25 H new ATOM 0 HD2 ARG A 116 3.067 14.158 -8.170 1.00 73.05 H new ATOM 0 HD3 ARG A 116 1.904 12.861 -8.356 1.00 73.05 H new ATOM 0 HE ARG A 116 0.260 14.658 -7.309 1.00 41.03 H new ATOM 0 HH11 ARG A 116 2.831 15.207 -9.610 1.00 4.43 H new ATOM 0 HH12 ARG A 116 2.026 16.615 -10.311 1.00 4.43 H new ATOM 0 HH21 ARG A 116 -0.705 16.424 -8.177 1.00 12.14 H new ATOM 0 HH22 ARG A 116 0.058 17.292 -9.513 1.00 12.14 H new ATOM 1820 N ILE A 117 1.590 10.118 -4.645 1.00 13.25 N ATOM 1821 CA ILE A 117 0.281 9.548 -4.289 1.00 2.21 C ATOM 1822 C ILE A 117 0.045 9.602 -2.770 1.00 13.31 C ATOM 1823 O ILE A 117 -1.080 9.825 -2.306 1.00 62.40 O ATOM 1824 CB ILE A 117 0.157 8.083 -4.788 1.00 2.43 C ATOM 1825 CG1 ILE A 117 0.228 8.039 -6.326 1.00 72.54 C ATOM 1826 CG2 ILE A 117 -1.135 7.434 -4.282 1.00 2.12 C ATOM 1827 CD1 ILE A 117 0.161 6.643 -6.910 1.00 13.34 C ATOM 0 H ILE A 117 2.157 9.516 -5.242 1.00 13.25 H new ATOM 0 HA ILE A 117 -0.481 10.153 -4.781 1.00 2.21 H new ATOM 0 HB ILE A 117 0.992 7.511 -4.384 1.00 2.43 H new ATOM 0 HG12 ILE A 117 -0.591 8.631 -6.734 1.00 72.54 H new ATOM 0 HG13 ILE A 117 1.155 8.512 -6.650 1.00 72.54 H new ATOM 0 HG21 ILE A 117 -1.194 6.409 -4.647 1.00 2.12 H new ATOM 0 HG22 ILE A 117 -1.138 7.432 -3.192 1.00 2.12 H new ATOM 0 HG23 ILE A 117 -1.993 7.999 -4.646 1.00 2.12 H new ATOM 0 HD11 ILE A 117 0.217 6.700 -7.997 1.00 13.34 H new ATOM 0 HD12 ILE A 117 0.995 6.051 -6.534 1.00 13.34 H new ATOM 0 HD13 ILE A 117 -0.778 6.172 -6.620 1.00 13.34 H new ATOM 1839 N ILE A 118 1.118 9.411 -2.003 1.00 20.13 N ATOM 1840 CA ILE A 118 1.064 9.561 -0.548 1.00 35.32 C ATOM 1841 C ILE A 118 0.574 10.967 -0.162 1.00 61.32 C ATOM 1842 O ILE A 118 -0.334 11.121 0.649 1.00 22.40 O ATOM 1843 CB ILE A 118 2.451 9.309 0.099 1.00 54.44 C ATOM 1844 CG1 ILE A 118 2.981 7.917 -0.289 1.00 54.22 C ATOM 1845 CG2 ILE A 118 2.377 9.454 1.621 1.00 44.10 C ATOM 1846 CD1 ILE A 118 4.374 7.621 0.234 1.00 13.42 C ATOM 0 H ILE A 118 2.036 9.152 -2.365 1.00 20.13 H new ATOM 0 HA ILE A 118 0.361 8.816 -0.174 1.00 35.32 H new ATOM 0 HB ILE A 118 3.145 10.060 -0.278 1.00 54.44 H new ATOM 0 HG12 ILE A 118 2.294 7.160 0.088 1.00 54.22 H new ATOM 0 HG13 ILE A 118 2.986 7.831 -1.376 1.00 54.22 H new ATOM 0 HG21 ILE A 118 3.362 9.273 2.052 1.00 44.10 H new ATOM 0 HG22 ILE A 118 2.050 10.462 1.875 1.00 44.10 H new ATOM 0 HG23 ILE A 118 1.667 8.730 2.021 1.00 44.10 H new ATOM 0 HD11 ILE A 118 4.676 6.622 -0.081 1.00 13.42 H new ATOM 0 HD12 ILE A 118 5.075 8.355 -0.163 1.00 13.42 H new ATOM 0 HD13 ILE A 118 4.373 7.673 1.323 1.00 13.42 H new ATOM 1858 N HIS A 119 1.164 11.989 -0.778 1.00 71.13 N ATOM 1859 CA HIS A 119 0.811 13.386 -0.489 1.00 55.41 C ATOM 1860 C HIS A 119 -0.566 13.761 -1.068 1.00 61.41 C ATOM 1861 O HIS A 119 -1.302 14.558 -0.482 1.00 63.11 O ATOM 1862 CB HIS A 119 1.888 14.324 -1.046 1.00 71.40 C ATOM 1863 CG HIS A 119 3.219 14.192 -0.368 1.00 64.11 C ATOM 1864 ND1 HIS A 119 3.788 15.201 0.380 1.00 53.52 N ATOM 1865 CD2 HIS A 119 4.102 13.164 -0.332 1.00 0.24 C ATOM 1866 CE1 HIS A 119 4.955 14.802 0.844 1.00 24.41 C ATOM 1867 NE2 HIS A 119 5.168 13.574 0.427 1.00 63.24 N ATOM 0 H HIS A 119 1.892 11.880 -1.484 1.00 71.13 H new ATOM 0 HA HIS A 119 0.755 13.496 0.594 1.00 55.41 H new ATOM 0 HB2 HIS A 119 2.013 14.126 -2.111 1.00 71.40 H new ATOM 0 HB3 HIS A 119 1.543 15.354 -0.951 1.00 71.40 H new ATOM 0 HD2 HIS A 119 3.987 12.203 -0.811 1.00 0.24 H new ATOM 0 HE1 HIS A 119 5.622 15.385 1.462 1.00 24.41 H new ATOM 0 HE2 HIS A 119 5.995 13.015 0.635 1.00 63.24 H new ATOM 1876 N ASP A 120 -0.905 13.179 -2.214 1.00 32.42 N ATOM 1877 CA ASP A 120 -2.150 13.502 -2.921 1.00 35.24 C ATOM 1878 C ASP A 120 -3.408 12.946 -2.224 1.00 2.40 C ATOM 1879 O ASP A 120 -4.427 13.636 -2.130 1.00 43.31 O ATOM 1880 CB ASP A 120 -2.076 12.985 -4.364 1.00 71.41 C ATOM 1881 CG ASP A 120 -1.119 13.787 -5.231 1.00 72.12 C ATOM 1882 OD1 ASP A 120 -0.475 14.730 -4.720 1.00 13.30 O ATOM 1883 OD2 ASP A 120 -1.027 13.495 -6.438 1.00 63.42 O ATOM 0 H ASP A 120 -0.333 12.475 -2.680 1.00 32.42 H new ATOM 0 HA ASP A 120 -2.245 14.588 -2.913 1.00 35.24 H new ATOM 0 HB2 ASP A 120 -1.762 11.941 -4.355 1.00 71.41 H new ATOM 0 HB3 ASP A 120 -3.072 13.015 -4.807 1.00 71.41 H new ATOM 1888 N ARG A 121 -3.356 11.698 -1.753 1.00 42.03 N ATOM 1889 CA ARG A 121 -4.541 11.069 -1.134 1.00 72.02 C ATOM 1890 C ARG A 121 -4.312 10.686 0.340 1.00 31.54 C ATOM 1891 O ARG A 121 -5.129 10.999 1.203 1.00 53.20 O ATOM 1892 CB ARG A 121 -4.973 9.823 -1.928 1.00 71.05 C ATOM 1893 CG ARG A 121 -5.218 10.072 -3.419 1.00 32.54 C ATOM 1894 CD ARG A 121 -6.102 11.294 -3.675 1.00 53.41 C ATOM 1895 NE ARG A 121 -7.395 11.217 -2.995 1.00 31.11 N ATOM 1896 CZ ARG A 121 -7.915 12.196 -2.300 1.00 31.53 C ATOM 1897 NH1 ARG A 121 -7.238 13.278 -2.070 1.00 44.24 N ATOM 1898 NH2 ARG A 121 -9.105 12.078 -1.811 1.00 52.15 N ATOM 0 H ARG A 121 -2.526 11.106 -1.784 1.00 42.03 H new ATOM 0 HA ARG A 121 -5.333 11.817 -1.160 1.00 72.02 H new ATOM 0 HB2 ARG A 121 -4.205 9.056 -1.822 1.00 71.05 H new ATOM 0 HB3 ARG A 121 -5.885 9.424 -1.485 1.00 71.05 H new ATOM 0 HG2 ARG A 121 -4.261 10.209 -3.923 1.00 32.54 H new ATOM 0 HG3 ARG A 121 -5.686 9.191 -3.858 1.00 32.54 H new ATOM 0 HD2 ARG A 121 -5.577 12.191 -3.345 1.00 53.41 H new ATOM 0 HD3 ARG A 121 -6.267 11.398 -4.747 1.00 53.41 H new ATOM 0 HE ARG A 121 -7.923 10.347 -3.067 1.00 31.11 H new ATOM 0 HH11 ARG A 121 -6.289 13.373 -2.432 1.00 44.24 H new ATOM 0 HH12 ARG A 121 -7.654 14.034 -1.527 1.00 44.24 H new ATOM 0 HH21 ARG A 121 -9.638 11.222 -1.967 1.00 52.15 H new ATOM 0 HH22 ARG A 121 -9.512 12.840 -1.269 1.00 52.15 H new ATOM 1912 N MET A 122 -3.203 10.008 0.623 1.00 32.01 N ATOM 1913 CA MET A 122 -2.925 9.499 1.979 1.00 25.43 C ATOM 1914 C MET A 122 -2.862 10.623 3.038 1.00 21.40 C ATOM 1915 O MET A 122 -3.598 10.596 4.025 1.00 14.43 O ATOM 1916 CB MET A 122 -1.609 8.711 1.976 1.00 12.40 C ATOM 1917 CG MET A 122 -1.642 7.443 1.128 1.00 22.33 C ATOM 1918 SD MET A 122 -2.380 6.044 1.990 1.00 71.35 S ATOM 1919 CE MET A 122 -1.965 4.709 0.871 1.00 35.13 C ATOM 0 H MET A 122 -2.478 9.794 -0.062 1.00 32.01 H new ATOM 0 HA MET A 122 -3.754 8.847 2.255 1.00 25.43 H new ATOM 0 HB2 MET A 122 -0.812 9.358 1.611 1.00 12.40 H new ATOM 0 HB3 MET A 122 -1.357 8.442 3.002 1.00 12.40 H new ATOM 0 HG2 MET A 122 -2.203 7.637 0.214 1.00 22.33 H new ATOM 0 HG3 MET A 122 -0.626 7.185 0.829 1.00 22.33 H new ATOM 0 HE1 MET A 122 -2.880 4.258 0.487 1.00 35.13 H new ATOM 0 HE2 MET A 122 -1.377 5.100 0.041 1.00 35.13 H new ATOM 0 HE3 MET A 122 -1.385 3.955 1.403 1.00 35.13 H new ATOM 1929 N ILE A 123 -1.988 11.611 2.820 1.00 70.34 N ATOM 1930 CA ILE A 123 -1.752 12.684 3.803 1.00 74.51 C ATOM 1931 C ILE A 123 -3.048 13.429 4.211 1.00 62.44 C ATOM 1932 O ILE A 123 -3.357 13.504 5.402 1.00 24.23 O ATOM 1933 CB ILE A 123 -0.701 13.712 3.293 1.00 13.34 C ATOM 1934 CG1 ILE A 123 0.634 13.017 2.966 1.00 63.34 C ATOM 1935 CG2 ILE A 123 -0.489 14.827 4.318 1.00 35.32 C ATOM 1936 CD1 ILE A 123 1.296 12.343 4.149 1.00 10.42 C ATOM 0 H ILE A 123 -1.429 11.694 1.971 1.00 70.34 H new ATOM 0 HA ILE A 123 -1.363 12.183 4.689 1.00 74.51 H new ATOM 0 HB ILE A 123 -1.086 14.159 2.376 1.00 13.34 H new ATOM 0 HG12 ILE A 123 0.461 12.272 2.189 1.00 63.34 H new ATOM 0 HG13 ILE A 123 1.322 13.755 2.552 1.00 63.34 H new ATOM 0 HG21 ILE A 123 0.250 15.533 3.940 1.00 35.32 H new ATOM 0 HG22 ILE A 123 -1.432 15.346 4.491 1.00 35.32 H new ATOM 0 HG23 ILE A 123 -0.134 14.397 5.255 1.00 35.32 H new ATOM 0 HD11 ILE A 123 2.229 11.880 3.828 1.00 10.42 H new ATOM 0 HD12 ILE A 123 1.505 13.085 4.920 1.00 10.42 H new ATOM 0 HD13 ILE A 123 0.631 11.579 4.551 1.00 10.42 H new ATOM 1948 N PRO A 124 -3.832 13.990 3.250 1.00 3.32 N ATOM 1949 CA PRO A 124 -5.066 14.741 3.575 1.00 4.34 C ATOM 1950 C PRO A 124 -6.030 13.954 4.480 1.00 73.41 C ATOM 1951 O PRO A 124 -6.734 14.536 5.311 1.00 5.13 O ATOM 1952 CB PRO A 124 -5.709 15.016 2.200 1.00 14.43 C ATOM 1953 CG PRO A 124 -4.982 14.138 1.234 1.00 52.30 C ATOM 1954 CD PRO A 124 -3.601 13.953 1.795 1.00 11.30 C ATOM 0 HA PRO A 124 -4.840 15.646 4.138 1.00 4.34 H new ATOM 0 HB2 PRO A 124 -6.775 14.787 2.213 1.00 14.43 H new ATOM 0 HB3 PRO A 124 -5.612 16.066 1.925 1.00 14.43 H new ATOM 0 HG2 PRO A 124 -5.488 13.179 1.122 1.00 52.30 H new ATOM 0 HG3 PRO A 124 -4.943 14.595 0.245 1.00 52.30 H new ATOM 0 HD2 PRO A 124 -3.160 13.008 1.479 1.00 11.30 H new ATOM 0 HD3 PRO A 124 -2.924 14.744 1.473 1.00 11.30 H new ATOM 1962 N HIS A 125 -6.057 12.633 4.321 1.00 32.33 N ATOM 1963 CA HIS A 125 -6.893 11.775 5.163 1.00 63.54 C ATOM 1964 C HIS A 125 -6.240 11.515 6.528 1.00 41.55 C ATOM 1965 O HIS A 125 -6.894 11.628 7.566 1.00 42.34 O ATOM 1966 CB HIS A 125 -7.188 10.450 4.455 1.00 41.52 C ATOM 1967 CG HIS A 125 -8.132 10.589 3.304 1.00 71.31 C ATOM 1968 ND1 HIS A 125 -9.420 11.026 3.491 1.00 74.14 N ATOM 1969 CD2 HIS A 125 -7.937 10.339 1.988 1.00 34.53 C ATOM 1970 CE1 HIS A 125 -9.975 11.033 2.294 1.00 55.12 C ATOM 1971 NE2 HIS A 125 -9.117 10.624 1.351 1.00 55.54 N ATOM 0 H HIS A 125 -5.512 12.132 3.619 1.00 32.33 H new ATOM 0 HA HIS A 125 -7.832 12.300 5.337 1.00 63.54 H new ATOM 0 HB2 HIS A 125 -6.252 10.021 4.098 1.00 41.52 H new ATOM 0 HB3 HIS A 125 -7.606 9.747 5.175 1.00 41.52 H new ATOM 0 HD2 HIS A 125 -7.027 9.983 1.528 1.00 34.53 H new ATOM 0 HE1 HIS A 125 -10.994 11.331 2.099 1.00 55.12 H new ATOM 0 HE2 HIS A 125 -9.305 10.541 0.352 1.00 55.54 H new ATOM 1979 N PHE A 126 -4.950 11.175 6.528 1.00 61.02 N ATOM 1980 CA PHE A 126 -4.213 10.942 7.779 1.00 74.21 C ATOM 1981 C PHE A 126 -4.276 12.170 8.702 1.00 11.42 C ATOM 1982 O PHE A 126 -4.309 12.039 9.926 1.00 24.44 O ATOM 1983 CB PHE A 126 -2.748 10.577 7.491 1.00 25.34 C ATOM 1984 CG PHE A 126 -2.563 9.277 6.738 1.00 40.41 C ATOM 1985 CD1 PHE A 126 -3.593 8.343 6.642 1.00 75.25 C ATOM 1986 CD2 PHE A 126 -1.353 8.989 6.121 1.00 2.43 C ATOM 1987 CE1 PHE A 126 -3.412 7.159 5.954 1.00 53.13 C ATOM 1988 CE2 PHE A 126 -1.172 7.805 5.433 1.00 23.13 C ATOM 1989 CZ PHE A 126 -2.203 6.890 5.349 1.00 42.32 C ATOM 0 H PHE A 126 -4.393 11.054 5.682 1.00 61.02 H new ATOM 0 HA PHE A 126 -4.691 10.105 8.288 1.00 74.21 H new ATOM 0 HB2 PHE A 126 -2.292 11.383 6.917 1.00 25.34 H new ATOM 0 HB3 PHE A 126 -2.209 10.515 8.437 1.00 25.34 H new ATOM 0 HD1 PHE A 126 -4.544 8.547 7.111 1.00 75.25 H new ATOM 0 HD2 PHE A 126 -0.542 9.700 6.180 1.00 2.43 H new ATOM 0 HE1 PHE A 126 -4.218 6.443 5.890 1.00 53.13 H new ATOM 0 HE2 PHE A 126 -0.224 7.595 4.961 1.00 23.13 H new ATOM 0 HZ PHE A 126 -2.062 5.965 4.810 1.00 42.32 H new ATOM 1999 N ARG A 127 -4.298 13.361 8.102 1.00 52.24 N ATOM 2000 CA ARG A 127 -4.461 14.612 8.856 1.00 50.31 C ATOM 2001 C ARG A 127 -5.826 14.656 9.565 1.00 21.52 C ATOM 2002 O ARG A 127 -5.936 15.115 10.703 1.00 52.32 O ATOM 2003 CB ARG A 127 -4.317 15.822 7.918 1.00 24.23 C ATOM 2004 CG ARG A 127 -2.942 15.933 7.263 1.00 30.20 C ATOM 2005 CD ARG A 127 -2.891 17.048 6.222 1.00 2.14 C ATOM 2006 NE ARG A 127 -3.110 18.369 6.807 1.00 65.40 N ATOM 2007 CZ ARG A 127 -3.269 19.464 6.115 1.00 4.22 C ATOM 2008 NH1 ARG A 127 -3.259 19.435 4.820 1.00 62.43 N ATOM 2009 NH2 ARG A 127 -3.445 20.587 6.724 1.00 73.22 N ATOM 0 H ARG A 127 -4.205 13.489 7.094 1.00 52.24 H new ATOM 0 HA ARG A 127 -3.679 14.653 9.615 1.00 50.31 H new ATOM 0 HB2 ARG A 127 -5.076 15.758 7.139 1.00 24.23 H new ATOM 0 HB3 ARG A 127 -4.515 16.733 8.482 1.00 24.23 H new ATOM 0 HG2 ARG A 127 -2.190 16.118 8.030 1.00 30.20 H new ATOM 0 HG3 ARG A 127 -2.688 14.984 6.790 1.00 30.20 H new ATOM 0 HD2 ARG A 127 -1.922 17.031 5.723 1.00 2.14 H new ATOM 0 HD3 ARG A 127 -3.646 16.863 5.458 1.00 2.14 H new ATOM 0 HE ARG A 127 -3.141 18.440 7.824 1.00 65.40 H new ATOM 0 HH11 ARG A 127 -3.126 18.550 4.331 1.00 62.43 H new ATOM 0 HH12 ARG A 127 -3.384 20.297 4.290 1.00 62.43 H new ATOM 0 HH21 ARG A 127 -3.460 20.618 7.743 1.00 73.22 H new ATOM 0 HH22 ARG A 127 -3.570 21.445 6.186 1.00 73.22 H new ATOM 2023 N SER A 128 -6.865 14.170 8.883 1.00 3.44 N ATOM 2024 CA SER A 128 -8.223 14.120 9.451 1.00 23.11 C ATOM 2025 C SER A 128 -8.415 12.889 10.354 1.00 31.12 C ATOM 2026 O SER A 128 -9.408 12.786 11.078 1.00 60.14 O ATOM 2027 CB SER A 128 -9.270 14.095 8.326 1.00 62.10 C ATOM 2028 OG SER A 128 -9.118 15.201 7.450 1.00 62.03 O ATOM 0 H SER A 128 -6.796 13.803 7.934 1.00 3.44 H new ATOM 0 HA SER A 128 -8.356 15.015 10.058 1.00 23.11 H new ATOM 0 HB2 SER A 128 -9.177 13.167 7.762 1.00 62.10 H new ATOM 0 HB3 SER A 128 -10.271 14.107 8.758 1.00 62.10 H new ATOM 0 HG SER A 128 -8.404 15.012 6.806 1.00 62.03 H new ATOM 2034 N GLY A 129 -7.462 11.958 10.307 1.00 24.02 N ATOM 2035 CA GLY A 129 -7.562 10.722 11.084 1.00 73.31 C ATOM 2036 C GLY A 129 -8.140 9.559 10.277 1.00 44.11 C ATOM 2037 O GLY A 129 -8.378 8.474 10.810 1.00 54.40 O ATOM 0 H GLY A 129 -6.616 12.035 9.742 1.00 24.02 H new ATOM 0 HA2 GLY A 129 -6.573 10.448 11.450 1.00 73.31 H new ATOM 0 HA3 GLY A 129 -8.188 10.898 11.959 1.00 73.31 H new ATOM 2041 N ASN A 130 -8.359 9.789 8.985 1.00 4.55 N ATOM 2042 CA ASN A 130 -8.935 8.778 8.092 1.00 43.35 C ATOM 2043 C ASN A 130 -7.857 7.839 7.517 1.00 12.44 C ATOM 2044 O ASN A 130 -7.444 7.981 6.365 1.00 52.25 O ATOM 2045 CB ASN A 130 -9.686 9.462 6.940 1.00 21.22 C ATOM 2046 CG ASN A 130 -10.883 10.275 7.397 1.00 63.12 C ATOM 2047 OD1 ASN A 130 -10.915 10.807 8.501 1.00 63.50 O ATOM 2048 ND2 ASN A 130 -11.880 10.383 6.543 1.00 24.24 N ATOM 0 H ASN A 130 -8.145 10.675 8.526 1.00 4.55 H new ATOM 0 HA ASN A 130 -9.626 8.176 8.682 1.00 43.35 H new ATOM 0 HB2 ASN A 130 -8.997 10.114 6.404 1.00 21.22 H new ATOM 0 HB3 ASN A 130 -10.021 8.703 6.233 1.00 21.22 H new ATOM 0 HD21 ASN A 130 -12.709 10.921 6.793 1.00 24.24 H new ATOM 0 HD22 ASN A 130 -11.823 9.928 5.632 1.00 24.24 H new ATOM 2055 N TYR A 131 -7.392 6.884 8.321 1.00 23.30 N ATOM 2056 CA TYR A 131 -6.381 5.922 7.855 1.00 55.35 C ATOM 2057 C TYR A 131 -6.942 5.001 6.758 1.00 43.02 C ATOM 2058 O TYR A 131 -6.266 4.713 5.771 1.00 3.44 O ATOM 2059 CB TYR A 131 -5.844 5.085 9.025 1.00 52.42 C ATOM 2060 CG TYR A 131 -5.158 5.908 10.100 1.00 74.22 C ATOM 2061 CD1 TYR A 131 -3.795 6.181 10.030 1.00 45.34 C ATOM 2062 CD2 TYR A 131 -5.872 6.413 11.182 1.00 72.34 C ATOM 2063 CE1 TYR A 131 -3.166 6.929 11.006 1.00 53.25 C ATOM 2064 CE2 TYR A 131 -5.248 7.162 12.161 1.00 52.43 C ATOM 2065 CZ TYR A 131 -3.897 7.417 12.069 1.00 33.11 C ATOM 2066 OH TYR A 131 -3.274 8.166 13.041 1.00 3.12 O ATOM 0 H TYR A 131 -7.691 6.752 9.287 1.00 23.30 H new ATOM 0 HA TYR A 131 -5.559 6.496 7.427 1.00 55.35 H new ATOM 0 HB2 TYR A 131 -6.670 4.533 9.474 1.00 52.42 H new ATOM 0 HB3 TYR A 131 -5.140 4.348 8.640 1.00 52.42 H new ATOM 0 HD1 TYR A 131 -3.220 5.802 9.199 1.00 45.34 H new ATOM 0 HD2 TYR A 131 -6.931 6.216 11.258 1.00 72.34 H new ATOM 0 HE1 TYR A 131 -2.107 7.131 10.937 1.00 53.25 H new ATOM 0 HE2 TYR A 131 -5.817 7.546 12.995 1.00 52.43 H new ATOM 0 HH TYR A 131 -3.930 8.434 13.718 1.00 3.12 H new ATOM 2076 N ALA A 132 -8.184 4.554 6.933 1.00 71.41 N ATOM 2077 CA ALA A 132 -8.839 3.675 5.956 1.00 40.11 C ATOM 2078 C ALA A 132 -9.071 4.388 4.614 1.00 23.42 C ATOM 2079 O ALA A 132 -8.828 3.824 3.544 1.00 23.13 O ATOM 2080 CB ALA A 132 -10.158 3.157 6.521 1.00 0.42 C ATOM 0 H ALA A 132 -8.761 4.784 7.742 1.00 71.41 H new ATOM 0 HA ALA A 132 -8.175 2.832 5.766 1.00 40.11 H new ATOM 0 HB1 ALA A 132 -10.637 2.506 5.789 1.00 0.42 H new ATOM 0 HB2 ALA A 132 -9.967 2.596 7.436 1.00 0.42 H new ATOM 0 HB3 ALA A 132 -10.815 3.998 6.742 1.00 0.42 H new ATOM 2086 N GLU A 133 -9.544 5.630 4.679 1.00 21.45 N ATOM 2087 CA GLU A 133 -9.760 6.445 3.478 1.00 73.11 C ATOM 2088 C GLU A 133 -8.434 6.727 2.752 1.00 54.41 C ATOM 2089 O GLU A 133 -8.354 6.626 1.527 1.00 54.43 O ATOM 2090 CB GLU A 133 -10.460 7.764 3.842 1.00 73.22 C ATOM 2091 CG GLU A 133 -11.928 7.616 4.250 1.00 30.05 C ATOM 2092 CD GLU A 133 -12.149 6.711 5.456 1.00 32.12 C ATOM 2093 OE1 GLU A 133 -11.391 6.823 6.442 1.00 53.14 O ATOM 2094 OE2 GLU A 133 -13.102 5.905 5.433 1.00 21.52 O ATOM 0 H GLU A 133 -9.787 6.099 5.552 1.00 21.45 H new ATOM 0 HA GLU A 133 -10.403 5.881 2.802 1.00 73.11 H new ATOM 0 HB2 GLU A 133 -9.915 8.235 4.660 1.00 73.22 H new ATOM 0 HB3 GLU A 133 -10.400 8.439 2.988 1.00 73.22 H new ATOM 0 HG2 GLU A 133 -12.334 8.603 4.470 1.00 30.05 H new ATOM 0 HG3 GLU A 133 -12.491 7.221 3.404 1.00 30.05 H new ATOM 2101 N GLY A 134 -7.396 7.070 3.518 1.00 4.13 N ATOM 2102 CA GLY A 134 -6.074 7.288 2.938 1.00 4.24 C ATOM 2103 C GLY A 134 -5.561 6.069 2.177 1.00 4.12 C ATOM 2104 O GLY A 134 -5.183 6.169 1.006 1.00 33.33 O ATOM 0 H GLY A 134 -7.446 7.201 4.528 1.00 4.13 H new ATOM 0 HA2 GLY A 134 -6.113 8.143 2.263 1.00 4.24 H new ATOM 0 HA3 GLY A 134 -5.370 7.540 3.731 1.00 4.24 H new ATOM 2108 N LEU A 135 -5.564 4.913 2.845 1.00 12.34 N ATOM 2109 CA LEU A 135 -5.139 3.649 2.228 1.00 42.45 C ATOM 2110 C LEU A 135 -5.968 3.310 0.981 1.00 41.51 C ATOM 2111 O LEU A 135 -5.417 3.039 -0.086 1.00 1.22 O ATOM 2112 CB LEU A 135 -5.242 2.500 3.239 1.00 23.43 C ATOM 2113 CG LEU A 135 -4.307 2.604 4.453 1.00 22.41 C ATOM 2114 CD1 LEU A 135 -4.559 1.452 5.420 1.00 20.42 C ATOM 2115 CD2 LEU A 135 -2.843 2.632 4.011 1.00 34.03 C ATOM 0 H LEU A 135 -5.857 4.824 3.818 1.00 12.34 H new ATOM 0 HA LEU A 135 -4.101 3.776 1.919 1.00 42.45 H new ATOM 0 HB2 LEU A 135 -6.270 2.445 3.597 1.00 23.43 H new ATOM 0 HB3 LEU A 135 -5.034 1.564 2.721 1.00 23.43 H new ATOM 0 HG LEU A 135 -4.520 3.539 4.971 1.00 22.41 H new ATOM 0 HD11 LEU A 135 -3.888 1.541 6.275 1.00 20.42 H new ATOM 0 HD12 LEU A 135 -5.592 1.486 5.765 1.00 20.42 H new ATOM 0 HD13 LEU A 135 -4.377 0.505 4.913 1.00 20.42 H new ATOM 0 HD21 LEU A 135 -2.200 2.706 4.888 1.00 34.03 H new ATOM 0 HD22 LEU A 135 -2.610 1.717 3.466 1.00 34.03 H new ATOM 0 HD23 LEU A 135 -2.675 3.493 3.364 1.00 34.03 H new ATOM 2127 N SER A 136 -7.292 3.333 1.121 1.00 32.23 N ATOM 2128 CA SER A 136 -8.198 2.962 0.023 1.00 63.33 C ATOM 2129 C SER A 136 -7.952 3.809 -1.234 1.00 41.13 C ATOM 2130 O SER A 136 -7.788 3.269 -2.330 1.00 30.10 O ATOM 2131 CB SER A 136 -9.662 3.096 0.460 1.00 11.41 C ATOM 2132 OG SER A 136 -9.969 4.427 0.832 1.00 72.44 O ATOM 0 H SER A 136 -7.767 3.604 1.982 1.00 32.23 H new ATOM 0 HA SER A 136 -7.990 1.921 -0.225 1.00 63.33 H new ATOM 0 HB2 SER A 136 -10.316 2.784 -0.354 1.00 11.41 H new ATOM 0 HB3 SER A 136 -9.856 2.428 1.299 1.00 11.41 H new ATOM 0 HG SER A 136 -9.150 4.885 1.114 1.00 72.44 H new ATOM 2138 N GLU A 137 -7.921 5.131 -1.077 1.00 22.41 N ATOM 2139 CA GLU A 137 -7.684 6.027 -2.214 1.00 72.23 C ATOM 2140 C GLU A 137 -6.224 5.981 -2.702 1.00 42.54 C ATOM 2141 O GLU A 137 -5.966 6.170 -3.889 1.00 41.42 O ATOM 2142 CB GLU A 137 -8.098 7.466 -1.881 1.00 15.41 C ATOM 2143 CG GLU A 137 -9.611 7.650 -1.754 1.00 44.23 C ATOM 2144 CD GLU A 137 -10.040 9.101 -1.894 1.00 31.30 C ATOM 2145 OE1 GLU A 137 -9.848 9.673 -2.988 1.00 60.43 O ATOM 2146 OE2 GLU A 137 -10.564 9.683 -0.922 1.00 65.52 O ATOM 0 H GLU A 137 -8.055 5.605 -0.184 1.00 22.41 H new ATOM 0 HA GLU A 137 -8.309 5.667 -3.031 1.00 72.23 H new ATOM 0 HB2 GLU A 137 -7.624 7.765 -0.946 1.00 15.41 H new ATOM 0 HB3 GLU A 137 -7.722 8.133 -2.657 1.00 15.41 H new ATOM 0 HG2 GLU A 137 -10.111 7.053 -2.517 1.00 44.23 H new ATOM 0 HG3 GLU A 137 -9.939 7.270 -0.786 1.00 44.23 H new ATOM 2153 N GLY A 138 -5.270 5.744 -1.798 1.00 12.34 N ATOM 2154 CA GLY A 138 -3.894 5.503 -2.224 1.00 22.35 C ATOM 2155 C GLY A 138 -3.785 4.303 -3.165 1.00 10.32 C ATOM 2156 O GLY A 138 -3.138 4.373 -4.212 1.00 11.11 O ATOM 0 H GLY A 138 -5.421 5.714 -0.790 1.00 12.34 H new ATOM 0 HA2 GLY A 138 -3.509 6.392 -2.724 1.00 22.35 H new ATOM 0 HA3 GLY A 138 -3.268 5.334 -1.348 1.00 22.35 H new ATOM 2160 N VAL A 139 -4.440 3.204 -2.788 1.00 22.54 N ATOM 2161 CA VAL A 139 -4.510 2.002 -3.628 1.00 43.42 C ATOM 2162 C VAL A 139 -5.254 2.285 -4.943 1.00 55.31 C ATOM 2163 O VAL A 139 -4.792 1.914 -6.022 1.00 54.03 O ATOM 2164 CB VAL A 139 -5.225 0.846 -2.885 1.00 54.42 C ATOM 2165 CG1 VAL A 139 -5.380 -0.380 -3.787 1.00 21.34 C ATOM 2166 CG2 VAL A 139 -4.476 0.485 -1.604 1.00 42.45 C ATOM 0 H VAL A 139 -4.934 3.119 -1.900 1.00 22.54 H new ATOM 0 HA VAL A 139 -3.484 1.709 -3.852 1.00 43.42 H new ATOM 0 HB VAL A 139 -6.224 1.188 -2.614 1.00 54.42 H new ATOM 0 HG11 VAL A 139 -5.885 -1.174 -3.238 1.00 21.34 H new ATOM 0 HG12 VAL A 139 -5.970 -0.114 -4.664 1.00 21.34 H new ATOM 0 HG13 VAL A 139 -4.396 -0.726 -4.103 1.00 21.34 H new ATOM 0 HG21 VAL A 139 -4.994 -0.329 -1.097 1.00 42.45 H new ATOM 0 HG22 VAL A 139 -3.462 0.171 -1.852 1.00 42.45 H new ATOM 0 HG23 VAL A 139 -4.437 1.355 -0.948 1.00 42.45 H new ATOM 2176 N LEU A 140 -6.409 2.945 -4.838 1.00 25.25 N ATOM 2177 CA LEU A 140 -7.216 3.293 -6.013 1.00 12.25 C ATOM 2178 C LEU A 140 -6.435 4.189 -6.985 1.00 13.33 C ATOM 2179 O LEU A 140 -6.550 4.047 -8.203 1.00 20.34 O ATOM 2180 CB LEU A 140 -8.513 3.991 -5.581 1.00 11.53 C ATOM 2181 CG LEU A 140 -9.461 4.381 -6.729 1.00 72.30 C ATOM 2182 CD1 LEU A 140 -9.904 3.144 -7.509 1.00 10.44 C ATOM 2183 CD2 LEU A 140 -10.669 5.145 -6.191 1.00 62.33 C ATOM 0 H LEU A 140 -6.808 3.250 -3.951 1.00 25.25 H new ATOM 0 HA LEU A 140 -7.463 2.367 -6.532 1.00 12.25 H new ATOM 0 HB2 LEU A 140 -9.049 3.335 -4.896 1.00 11.53 H new ATOM 0 HB3 LEU A 140 -8.254 4.891 -5.023 1.00 11.53 H new ATOM 0 HG LEU A 140 -8.920 5.035 -7.413 1.00 72.30 H new ATOM 0 HD11 LEU A 140 -10.573 3.443 -8.316 1.00 10.44 H new ATOM 0 HD12 LEU A 140 -9.030 2.646 -7.929 1.00 10.44 H new ATOM 0 HD13 LEU A 140 -10.425 2.459 -6.840 1.00 10.44 H new ATOM 0 HD21 LEU A 140 -11.328 5.412 -7.017 1.00 62.33 H new ATOM 0 HD22 LEU A 140 -11.211 4.517 -5.483 1.00 62.33 H new ATOM 0 HD23 LEU A 140 -10.332 6.051 -5.688 1.00 62.33 H new ATOM 2195 N ALA A 141 -5.635 5.103 -6.441 1.00 2.53 N ATOM 2196 CA ALA A 141 -4.797 5.984 -7.263 1.00 13.44 C ATOM 2197 C ALA A 141 -3.806 5.167 -8.102 1.00 43.21 C ATOM 2198 O ALA A 141 -3.729 5.324 -9.322 1.00 71.21 O ATOM 2199 CB ALA A 141 -4.056 6.988 -6.387 1.00 61.42 C ATOM 0 H ALA A 141 -5.547 5.256 -5.436 1.00 2.53 H new ATOM 0 HA ALA A 141 -5.447 6.534 -7.944 1.00 13.44 H new ATOM 0 HB1 ALA A 141 -3.440 7.633 -7.014 1.00 61.42 H new ATOM 0 HB2 ALA A 141 -4.777 7.595 -5.840 1.00 61.42 H new ATOM 0 HB3 ALA A 141 -3.421 6.455 -5.680 1.00 61.42 H new ATOM 2205 N VAL A 142 -3.057 4.286 -7.436 1.00 54.52 N ATOM 2206 CA VAL A 142 -2.141 3.367 -8.121 1.00 11.30 C ATOM 2207 C VAL A 142 -2.891 2.516 -9.158 1.00 15.00 C ATOM 2208 O VAL A 142 -2.454 2.366 -10.304 1.00 25.03 O ATOM 2209 CB VAL A 142 -1.437 2.428 -7.110 1.00 24.14 C ATOM 2210 CG1 VAL A 142 -0.528 1.433 -7.826 1.00 34.35 C ATOM 2211 CG2 VAL A 142 -0.654 3.235 -6.076 1.00 73.45 C ATOM 0 H VAL A 142 -3.066 4.188 -6.421 1.00 54.52 H new ATOM 0 HA VAL A 142 -1.392 3.975 -8.628 1.00 11.30 H new ATOM 0 HB VAL A 142 -2.206 1.860 -6.586 1.00 24.14 H new ATOM 0 HG11 VAL A 142 -0.047 0.787 -7.092 1.00 34.35 H new ATOM 0 HG12 VAL A 142 -1.121 0.826 -8.511 1.00 34.35 H new ATOM 0 HG13 VAL A 142 0.234 1.975 -8.387 1.00 34.35 H new ATOM 0 HG21 VAL A 142 -0.168 2.555 -5.376 1.00 73.45 H new ATOM 0 HG22 VAL A 142 0.101 3.838 -6.581 1.00 73.45 H new ATOM 0 HG23 VAL A 142 -1.336 3.889 -5.532 1.00 73.45 H new ATOM 2221 N GLN A 143 -4.029 1.968 -8.739 1.00 21.34 N ATOM 2222 CA GLN A 143 -4.892 1.176 -9.618 1.00 13.53 C ATOM 2223 C GLN A 143 -5.250 1.940 -10.900 1.00 71.43 C ATOM 2224 O GLN A 143 -5.079 1.426 -12.002 1.00 3.34 O ATOM 2225 CB GLN A 143 -6.179 0.787 -8.878 1.00 32.25 C ATOM 2226 CG GLN A 143 -7.152 -0.034 -9.721 1.00 65.11 C ATOM 2227 CD GLN A 143 -8.434 -0.373 -8.979 1.00 53.53 C ATOM 2228 OE1 GLN A 143 -8.450 -0.499 -7.761 1.00 21.23 O ATOM 2229 NE2 GLN A 143 -9.519 -0.527 -9.711 1.00 3.11 N ATOM 0 H GLN A 143 -4.380 2.058 -7.785 1.00 21.34 H new ATOM 0 HA GLN A 143 -4.341 0.279 -9.900 1.00 13.53 H new ATOM 0 HB2 GLN A 143 -5.916 0.218 -7.986 1.00 32.25 H new ATOM 0 HB3 GLN A 143 -6.681 1.694 -8.541 1.00 32.25 H new ATOM 0 HG2 GLN A 143 -7.398 0.520 -10.627 1.00 65.11 H new ATOM 0 HG3 GLN A 143 -6.664 -0.957 -10.035 1.00 65.11 H new ATOM 0 HE21 GLN A 143 -9.471 -0.415 -10.724 1.00 3.11 H new ATOM 0 HE22 GLN A 143 -10.407 -0.758 -9.265 1.00 3.11 H new ATOM 2238 N GLN A 144 -5.736 3.172 -10.749 1.00 64.14 N ATOM 2239 CA GLN A 144 -6.180 3.979 -11.892 1.00 12.53 C ATOM 2240 C GLN A 144 -5.022 4.348 -12.833 1.00 24.13 C ATOM 2241 O GLN A 144 -5.227 4.495 -14.039 1.00 50.12 O ATOM 2242 CB GLN A 144 -6.910 5.241 -11.412 1.00 55.30 C ATOM 2243 CG GLN A 144 -8.234 4.945 -10.708 1.00 42.54 C ATOM 2244 CD GLN A 144 -8.984 6.198 -10.286 1.00 1.53 C ATOM 2245 OE1 GLN A 144 -8.387 7.227 -9.990 1.00 63.44 O ATOM 2246 NE2 GLN A 144 -10.299 6.121 -10.249 1.00 63.43 N ATOM 0 H GLN A 144 -5.833 3.636 -9.846 1.00 64.14 H new ATOM 0 HA GLN A 144 -6.875 3.365 -12.466 1.00 12.53 H new ATOM 0 HB2 GLN A 144 -6.260 5.791 -10.731 1.00 55.30 H new ATOM 0 HB3 GLN A 144 -7.099 5.890 -12.267 1.00 55.30 H new ATOM 0 HG2 GLN A 144 -8.867 4.357 -11.373 1.00 42.54 H new ATOM 0 HG3 GLN A 144 -8.040 4.332 -9.828 1.00 42.54 H new ATOM 0 HE21 GLN A 144 -10.766 5.250 -10.501 1.00 63.43 H new ATOM 0 HE22 GLN A 144 -10.850 6.932 -9.968 1.00 63.43 H new ATOM 2255 N VAL A 145 -3.810 4.504 -12.294 1.00 42.31 N ATOM 2256 CA VAL A 145 -2.628 4.738 -13.140 1.00 64.23 C ATOM 2257 C VAL A 145 -2.443 3.584 -14.141 1.00 13.52 C ATOM 2258 O VAL A 145 -2.261 3.804 -15.340 1.00 3.21 O ATOM 2259 CB VAL A 145 -1.327 4.900 -12.308 1.00 25.31 C ATOM 2260 CG1 VAL A 145 -0.114 5.098 -13.221 1.00 25.45 C ATOM 2261 CG2 VAL A 145 -1.449 6.059 -11.320 1.00 30.40 C ATOM 0 H VAL A 145 -3.618 4.474 -11.293 1.00 42.31 H new ATOM 0 HA VAL A 145 -2.808 5.671 -13.674 1.00 64.23 H new ATOM 0 HB VAL A 145 -1.180 3.982 -11.739 1.00 25.31 H new ATOM 0 HG11 VAL A 145 0.784 5.209 -12.614 1.00 25.45 H new ATOM 0 HG12 VAL A 145 -0.005 4.233 -13.875 1.00 25.45 H new ATOM 0 HG13 VAL A 145 -0.256 5.994 -13.826 1.00 25.45 H new ATOM 0 HG21 VAL A 145 -0.524 6.150 -10.750 1.00 30.40 H new ATOM 0 HG22 VAL A 145 -1.632 6.985 -11.866 1.00 30.40 H new ATOM 0 HG23 VAL A 145 -2.278 5.870 -10.638 1.00 30.40 H new ATOM 2271 N LEU A 146 -2.502 2.354 -13.635 1.00 43.22 N ATOM 2272 CA LEU A 146 -2.418 1.158 -14.480 1.00 63.43 C ATOM 2273 C LEU A 146 -3.672 1.016 -15.359 1.00 3.41 C ATOM 2274 O LEU A 146 -3.579 0.830 -16.570 1.00 64.24 O ATOM 2275 CB LEU A 146 -2.260 -0.093 -13.602 1.00 12.01 C ATOM 2276 CG LEU A 146 -0.988 -0.139 -12.739 1.00 64.41 C ATOM 2277 CD1 LEU A 146 -1.005 -1.351 -11.808 1.00 4.14 C ATOM 2278 CD2 LEU A 146 0.257 -0.153 -13.621 1.00 13.21 C ATOM 0 H LEU A 146 -2.608 2.156 -12.640 1.00 43.22 H new ATOM 0 HA LEU A 146 -1.549 1.261 -15.130 1.00 63.43 H new ATOM 0 HB2 LEU A 146 -3.127 -0.166 -12.945 1.00 12.01 H new ATOM 0 HB3 LEU A 146 -2.273 -0.972 -14.246 1.00 12.01 H new ATOM 0 HG LEU A 146 -0.962 0.759 -12.122 1.00 64.41 H new ATOM 0 HD11 LEU A 146 -0.095 -1.362 -11.208 1.00 4.14 H new ATOM 0 HD12 LEU A 146 -1.873 -1.293 -11.151 1.00 4.14 H new ATOM 0 HD13 LEU A 146 -1.060 -2.264 -12.401 1.00 4.14 H new ATOM 0 HD21 LEU A 146 1.147 -0.186 -12.993 1.00 13.21 H new ATOM 0 HD22 LEU A 146 0.236 -1.031 -14.266 1.00 13.21 H new ATOM 0 HD23 LEU A 146 0.278 0.748 -14.234 1.00 13.21 H new ATOM 2290 N ASP A 147 -4.837 1.130 -14.724 1.00 70.34 N ATOM 2291 CA ASP A 147 -6.138 0.961 -15.384 1.00 44.14 C ATOM 2292 C ASP A 147 -6.314 1.918 -16.580 1.00 20.22 C ATOM 2293 O ASP A 147 -6.974 1.582 -17.565 1.00 11.33 O ATOM 2294 CB ASP A 147 -7.248 1.178 -14.347 1.00 72.43 C ATOM 2295 CG ASP A 147 -8.635 0.906 -14.895 1.00 34.33 C ATOM 2296 OD1 ASP A 147 -9.005 -0.280 -15.026 1.00 52.11 O ATOM 2297 OD2 ASP A 147 -9.364 1.875 -15.193 1.00 25.52 O ATOM 0 H ASP A 147 -4.909 1.344 -13.729 1.00 70.34 H new ATOM 0 HA ASP A 147 -6.194 -0.050 -15.787 1.00 44.14 H new ATOM 0 HB2 ASP A 147 -7.069 0.529 -13.490 1.00 72.43 H new ATOM 0 HB3 ASP A 147 -7.202 2.205 -13.984 1.00 72.43 H new ATOM 2302 N GLY A 148 -5.718 3.106 -16.486 1.00 10.24 N ATOM 2303 CA GLY A 148 -5.782 4.074 -17.579 1.00 40.11 C ATOM 2304 C GLY A 148 -4.734 3.833 -18.670 1.00 53.22 C ATOM 2305 O GLY A 148 -4.906 4.268 -19.812 1.00 20.20 O ATOM 0 H GLY A 148 -5.190 3.419 -15.672 1.00 10.24 H new ATOM 0 HA2 GLY A 148 -6.775 4.040 -18.026 1.00 40.11 H new ATOM 0 HA3 GLY A 148 -5.649 5.077 -17.174 1.00 40.11 H new ATOM 2309 N SER A 149 -3.648 3.136 -18.325 1.00 4.45 N ATOM 2310 CA SER A 149 -2.546 2.886 -19.275 1.00 2.43 C ATOM 2311 C SER A 149 -2.723 1.550 -20.018 1.00 5.13 C ATOM 2312 O SER A 149 -2.646 1.495 -21.248 1.00 34.50 O ATOM 2313 CB SER A 149 -1.194 2.894 -18.542 1.00 33.55 C ATOM 2314 OG SER A 149 -0.105 2.850 -19.454 1.00 73.40 O ATOM 0 H SER A 149 -3.503 2.733 -17.399 1.00 4.45 H new ATOM 0 HA SER A 149 -2.566 3.688 -20.012 1.00 2.43 H new ATOM 0 HB2 SER A 149 -1.118 3.791 -17.927 1.00 33.55 H new ATOM 0 HB3 SER A 149 -1.140 2.039 -17.868 1.00 33.55 H new ATOM 0 HG SER A 149 0.739 2.858 -18.956 1.00 73.40 H new ATOM 2320 N LEU A 150 -2.960 0.475 -19.267 1.00 63.22 N ATOM 2321 CA LEU A 150 -3.143 -0.859 -19.850 1.00 35.33 C ATOM 2322 C LEU A 150 -4.627 -1.140 -20.126 1.00 12.42 C ATOM 2323 O LEU A 150 -5.334 -1.738 -19.310 1.00 14.01 O ATOM 2324 CB LEU A 150 -2.554 -1.937 -18.928 1.00 71.04 C ATOM 2325 CG LEU A 150 -1.044 -1.814 -18.652 1.00 21.54 C ATOM 2326 CD1 LEU A 150 -0.580 -2.893 -17.676 1.00 52.12 C ATOM 2327 CD2 LEU A 150 -0.253 -1.888 -19.957 1.00 25.40 C ATOM 0 H LEU A 150 -3.030 0.500 -18.250 1.00 63.22 H new ATOM 0 HA LEU A 150 -2.610 -0.887 -20.801 1.00 35.33 H new ATOM 0 HB2 LEU A 150 -3.084 -1.907 -17.976 1.00 71.04 H new ATOM 0 HB3 LEU A 150 -2.747 -2.915 -19.370 1.00 71.04 H new ATOM 0 HG LEU A 150 -0.859 -0.843 -18.193 1.00 21.54 H new ATOM 0 HD11 LEU A 150 0.490 -2.786 -17.497 1.00 52.12 H new ATOM 0 HD12 LEU A 150 -1.118 -2.787 -16.734 1.00 52.12 H new ATOM 0 HD13 LEU A 150 -0.780 -3.877 -18.100 1.00 52.12 H new ATOM 0 HD21 LEU A 150 0.812 -1.799 -19.742 1.00 25.40 H new ATOM 0 HD22 LEU A 150 -0.446 -2.843 -20.446 1.00 25.40 H new ATOM 0 HD23 LEU A 150 -0.560 -1.075 -20.615 1.00 25.40 H new ATOM 2339 N GLU A 151 -5.084 -0.677 -21.282 1.00 40.54 N ATOM 2340 CA GLU A 151 -6.482 -0.832 -21.710 1.00 15.22 C ATOM 2341 C GLU A 151 -6.887 -2.314 -21.859 1.00 4.54 C ATOM 2342 O GLU A 151 -8.073 -2.652 -21.816 1.00 11.32 O ATOM 2343 CB GLU A 151 -6.687 -0.094 -23.043 1.00 51.54 C ATOM 2344 CG GLU A 151 -8.111 -0.154 -23.589 1.00 4.30 C ATOM 2345 CD GLU A 151 -8.243 0.525 -24.943 1.00 35.10 C ATOM 2346 OE1 GLU A 151 -7.667 0.013 -25.927 1.00 1.42 O ATOM 2347 OE2 GLU A 151 -8.899 1.584 -25.032 1.00 44.24 O ATOM 0 H GLU A 151 -4.500 -0.181 -21.956 1.00 40.54 H new ATOM 0 HA GLU A 151 -7.120 -0.402 -20.938 1.00 15.22 H new ATOM 0 HB2 GLU A 151 -6.406 0.951 -22.912 1.00 51.54 H new ATOM 0 HB3 GLU A 151 -6.009 -0.516 -23.785 1.00 51.54 H new ATOM 0 HG2 GLU A 151 -8.420 -1.196 -23.677 1.00 4.30 H new ATOM 0 HG3 GLU A 151 -8.789 0.321 -22.880 1.00 4.30 H new ATOM 2354 N HIS A 152 -5.903 -3.191 -22.040 1.00 45.25 N ATOM 2355 CA HIS A 152 -6.163 -4.624 -22.220 1.00 32.51 C ATOM 2356 C HIS A 152 -5.343 -5.476 -21.234 1.00 71.02 C ATOM 2357 O HIS A 152 -4.241 -5.093 -20.842 1.00 13.52 O ATOM 2358 CB HIS A 152 -5.832 -5.030 -23.664 1.00 23.54 C ATOM 2359 CG HIS A 152 -6.142 -6.462 -23.980 1.00 23.13 C ATOM 2360 ND1 HIS A 152 -5.210 -7.475 -23.888 1.00 10.30 N ATOM 2361 CD2 HIS A 152 -7.288 -7.052 -24.395 1.00 62.12 C ATOM 2362 CE1 HIS A 152 -5.768 -8.616 -24.231 1.00 22.13 C ATOM 2363 NE2 HIS A 152 -7.025 -8.389 -24.541 1.00 12.13 N ATOM 0 H HIS A 152 -4.915 -2.938 -22.067 1.00 45.25 H new ATOM 0 HA HIS A 152 -7.219 -4.805 -22.018 1.00 32.51 H new ATOM 0 HB2 HIS A 152 -6.389 -4.389 -24.348 1.00 23.54 H new ATOM 0 HB3 HIS A 152 -4.773 -4.849 -23.848 1.00 23.54 H new ATOM 0 HD2 HIS A 152 -8.232 -6.561 -24.577 1.00 62.12 H new ATOM 0 HE1 HIS A 152 -5.276 -9.577 -24.254 1.00 22.13 H new ATOM 0 HE2 HIS A 152 -7.697 -9.095 -24.842 1.00 12.13 H new ATOM 2372 N HIS A 153 -5.899 -6.631 -20.837 1.00 1.42 N ATOM 2373 CA HIS A 153 -5.186 -7.602 -19.988 1.00 34.51 C ATOM 2374 C HIS A 153 -3.747 -7.822 -20.487 1.00 21.15 C ATOM 2375 O HIS A 153 -3.526 -8.473 -21.510 1.00 5.33 O ATOM 2376 CB HIS A 153 -5.963 -8.932 -19.964 1.00 44.23 C ATOM 2377 CG HIS A 153 -5.269 -10.056 -19.246 1.00 10.42 C ATOM 2378 ND1 HIS A 153 -4.776 -9.952 -17.965 1.00 74.45 N ATOM 2379 CD2 HIS A 153 -4.996 -11.323 -19.643 1.00 20.23 C ATOM 2380 CE1 HIS A 153 -4.233 -11.097 -17.608 1.00 61.32 C ATOM 2381 NE2 HIS A 153 -4.353 -11.949 -18.603 1.00 13.32 N ATOM 0 H HIS A 153 -6.844 -6.917 -21.091 1.00 1.42 H new ATOM 0 HA HIS A 153 -5.125 -7.204 -18.975 1.00 34.51 H new ATOM 0 HB2 HIS A 153 -6.931 -8.762 -19.493 1.00 44.23 H new ATOM 0 HB3 HIS A 153 -6.158 -9.241 -20.991 1.00 44.23 H new ATOM 0 HD1 HIS A 153 -4.824 -9.116 -17.382 1.00 74.45 H new ATOM 0 HD2 HIS A 153 -5.239 -11.760 -20.600 1.00 20.23 H new ATOM 0 HE1 HIS A 153 -3.766 -11.303 -16.656 1.00 61.32 H new ATOM 2390 N HIS A 154 -2.777 -7.272 -19.758 1.00 11.12 N ATOM 2391 CA HIS A 154 -1.385 -7.226 -20.223 1.00 14.00 C ATOM 2392 C HIS A 154 -0.455 -8.115 -19.378 1.00 70.51 C ATOM 2393 O HIS A 154 -0.273 -7.893 -18.183 1.00 74.31 O ATOM 2394 CB HIS A 154 -0.899 -5.769 -20.198 1.00 43.32 C ATOM 2395 CG HIS A 154 0.447 -5.556 -20.819 1.00 12.04 C ATOM 2396 ND1 HIS A 154 1.498 -4.957 -20.157 1.00 31.33 N ATOM 2397 CD2 HIS A 154 0.906 -5.843 -22.059 1.00 55.23 C ATOM 2398 CE1 HIS A 154 2.539 -4.886 -20.961 1.00 65.44 C ATOM 2399 NE2 HIS A 154 2.208 -5.417 -22.119 1.00 25.44 N ATOM 0 H HIS A 154 -2.926 -6.851 -18.841 1.00 11.12 H new ATOM 0 HA HIS A 154 -1.353 -7.618 -21.240 1.00 14.00 H new ATOM 0 HB2 HIS A 154 -1.628 -5.147 -20.717 1.00 43.32 H new ATOM 0 HB3 HIS A 154 -0.867 -5.427 -19.164 1.00 43.32 H new ATOM 0 HD2 HIS A 154 0.350 -6.319 -22.853 1.00 55.23 H new ATOM 0 HE1 HIS A 154 3.501 -4.464 -20.712 1.00 65.44 H new ATOM 0 HE2 HIS A 154 2.821 -5.498 -22.930 1.00 25.44 H new ATOM 2408 N HIS A 155 0.146 -9.113 -20.023 1.00 23.21 N ATOM 2409 CA HIS A 155 1.089 -10.029 -19.365 1.00 14.52 C ATOM 2410 C HIS A 155 2.530 -9.759 -19.847 1.00 60.11 C ATOM 2411 O HIS A 155 2.778 -9.653 -21.046 1.00 11.31 O ATOM 2412 CB HIS A 155 0.676 -11.484 -19.658 1.00 34.23 C ATOM 2413 CG HIS A 155 1.567 -12.524 -19.039 1.00 22.02 C ATOM 2414 ND1 HIS A 155 1.383 -13.017 -17.763 1.00 5.42 N ATOM 2415 CD2 HIS A 155 2.643 -13.180 -19.536 1.00 43.24 C ATOM 2416 CE1 HIS A 155 2.303 -13.925 -17.503 1.00 53.32 C ATOM 2417 NE2 HIS A 155 3.075 -14.042 -18.559 1.00 62.51 N ATOM 0 H HIS A 155 -0.003 -9.313 -21.012 1.00 23.21 H new ATOM 0 HA HIS A 155 1.062 -9.863 -18.288 1.00 14.52 H new ATOM 0 HB2 HIS A 155 -0.342 -11.638 -19.301 1.00 34.23 H new ATOM 0 HB3 HIS A 155 0.661 -11.633 -20.738 1.00 34.23 H new ATOM 0 HD2 HIS A 155 3.079 -13.049 -20.516 1.00 43.24 H new ATOM 0 HE1 HIS A 155 2.404 -14.477 -16.581 1.00 53.32 H new ATOM 0 HE2 HIS A 155 3.871 -14.674 -18.640 1.00 62.51 H new ATOM 2426 N HIS A 156 3.476 -9.646 -18.908 1.00 61.24 N ATOM 2427 CA HIS A 156 4.876 -9.333 -19.255 1.00 21.21 C ATOM 2428 C HIS A 156 5.614 -10.534 -19.881 1.00 73.43 C ATOM 2429 O HIS A 156 5.725 -10.630 -21.104 1.00 55.44 O ATOM 2430 CB HIS A 156 5.645 -8.821 -18.024 1.00 31.24 C ATOM 2431 CG HIS A 156 5.310 -7.410 -17.647 1.00 10.42 C ATOM 2432 ND1 HIS A 156 4.603 -7.077 -16.512 1.00 24.42 N ATOM 2433 CD2 HIS A 156 5.603 -6.238 -18.259 1.00 14.35 C ATOM 2434 CE1 HIS A 156 4.474 -5.766 -16.444 1.00 22.31 C ATOM 2435 NE2 HIS A 156 5.071 -5.234 -17.489 1.00 43.05 N ATOM 0 H HIS A 156 3.305 -9.764 -17.909 1.00 61.24 H new ATOM 0 HA HIS A 156 4.841 -8.545 -20.008 1.00 21.21 H new ATOM 0 HB2 HIS A 156 5.433 -9.474 -17.177 1.00 31.24 H new ATOM 0 HB3 HIS A 156 6.715 -8.891 -18.220 1.00 31.24 H new ATOM 0 HD1 HIS A 156 4.236 -7.741 -15.830 1.00 24.42 H new ATOM 0 HD2 HIS A 156 6.153 -6.116 -19.181 1.00 14.35 H new ATOM 0 HE1 HIS A 156 3.965 -5.221 -15.663 1.00 22.31 H new ATOM 2444 N HIS A 157 6.112 -11.443 -19.039 1.00 41.04 N ATOM 2445 CA HIS A 157 6.897 -12.598 -19.513 1.00 22.41 C ATOM 2446 C HIS A 157 6.001 -13.827 -19.779 1.00 34.33 C ATOM 2447 O HIS A 157 5.782 -14.627 -18.844 1.00 37.71 O ATOM 2448 CB HIS A 157 7.990 -12.938 -18.486 1.00 14.24 C ATOM 2449 CG HIS A 157 8.896 -14.060 -18.901 1.00 22.10 C ATOM 2450 ND1 HIS A 157 8.671 -15.378 -18.564 1.00 51.22 N ATOM 2451 CD2 HIS A 157 10.045 -14.050 -19.618 1.00 41.51 C ATOM 2452 CE1 HIS A 157 9.641 -16.127 -19.050 1.00 3.11 C ATOM 2453 NE2 HIS A 157 10.486 -15.348 -19.695 1.00 75.12 N ATOM 2454 OXT HIS A 157 5.514 -13.979 -20.920 1.00 37.71 O ATOM 0 H HIS A 157 5.989 -11.407 -18.027 1.00 41.04 H new ATOM 0 HA HIS A 157 7.363 -12.327 -20.460 1.00 22.41 H new ATOM 0 HB2 HIS A 157 8.592 -12.048 -18.305 1.00 14.24 H new ATOM 0 HB3 HIS A 157 7.516 -13.200 -17.540 1.00 14.24 H new ATOM 0 HD2 HIS A 157 10.525 -13.183 -20.049 1.00 41.51 H new ATOM 0 HE1 HIS A 157 9.728 -17.198 -18.938 1.00 3.11 H new ATOM 0 HE2 HIS A 157 11.331 -15.659 -20.174 1.00 75.12 H new TER 2463 HIS A 157