USER MOD reduce.3.24.130724 H: found=0, std=0, add=542, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 542 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 29 ASN : amide:sc= 0.138 K(o=1.7,f=0.3) USER MOD Set 1.2: A 50 HIS : +bothHN:sc= 1.57 K(o=1.7,f=-9.8!) USER MOD Set 2.1: A 42 SER OG : rot 180:sc= -0.519 USER MOD Set 2.2: A 45 GLN : amide:sc= -0.278 K(o=-0.8,f=-1.7) USER MOD Set 3.1: A 9 MET CE :methyl -170:sc= -0.0268 (180deg=-0.223) USER MOD Set 3.2: A 17 THR OG1 : rot 60:sc= 1.09 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 141:sc= 0.00398 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 GLN :FLIP amide:sc=-0.00354 F(o=-0.84,f=-0.0035) USER MOD Single : A 4 LYS NZ :NH3+ 159:sc= 0 (180deg=-0.174) USER MOD Single : A 6 THR OG1 : rot 180:sc= -0.367 USER MOD Single : A 7 LYS NZ :NH3+ 179:sc= 2.41 (180deg=2.41) USER MOD Single : A 10 THR OG1 : rot 180:sc= -1.31 USER MOD Single : A 13 GLN :FLIP amide:sc= -1.44 F(o=-2.2,f=-1.4) USER MOD Single : A 16 GLN : amide:sc= -0.105 X(o=-0.11,f=-0.043) USER MOD Single : A 18 HIS : no HE2:sc= 0.879 K(o=0.88,f=-2.9!) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 TYR OH : rot -170:sc= 0.86 USER MOD Single : A 32 CYS SG : rot -37:sc= -1.74! USER MOD Single : A 35 CYS SG : rot 180:sc= 0 USER MOD Single : A 36 MET CE :methyl -164:sc= -0.0874 (180deg=-0.483) USER MOD Single : A 39 GLN : amide:sc= -0.906 X(o=-0.91,f=-0.95) USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 ASN : amide:sc= 0.94 K(o=0.94,f=-0.1) USER MOD Single : A 53 ASN : amide:sc= -0.0551 K(o=-0.055,f=-1.1) USER MOD Single : A 62 ASN : amide:sc= 1.99 K(o=2,f=-4.1!) USER MOD Single : A 68 HIS : no HE2:sc= -1.16 K(o=-1.2,f=-2.9!) USER MOD Single : A 69 HIS : no HD1:sc= 0 X(o=0,f=-0.0028) USER MOD Single : A 70 HIS : no HD1:sc= -0.0106 X(o=-0.011,f=-0.049) USER MOD Single : A 71 HIS : no HD1:sc= -0.0341 X(o=-0.034,f=-0.02) USER MOD Single : A 72 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 73 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -17.521 11.584 0.057 1.00 73.24 N ATOM 2 CA MET A 1 -16.049 11.478 0.247 1.00 43.11 C ATOM 3 C MET A 1 -15.510 10.198 -0.408 1.00 52.02 C ATOM 4 O MET A 1 -16.100 9.128 -0.266 1.00 31.02 O ATOM 5 CB MET A 1 -15.705 11.491 1.744 1.00 34.20 C ATOM 6 CG MET A 1 -14.211 11.447 2.040 1.00 22.34 C ATOM 7 SD MET A 1 -13.851 11.481 3.809 1.00 73.44 S ATOM 8 CE MET A 1 -12.062 11.346 3.800 1.00 71.10 C ATOM 0 H1 MET A 1 -17.957 11.959 0.924 1.00 73.24 H new ATOM 0 H2 MET A 1 -17.723 12.224 -0.737 1.00 73.24 H new ATOM 0 H3 MET A 1 -17.913 10.643 -0.148 1.00 73.24 H new ATOM 0 HA MET A 1 -15.577 12.336 -0.232 1.00 43.11 H new ATOM 0 HB2 MET A 1 -16.127 12.389 2.195 1.00 34.20 H new ATOM 0 HB3 MET A 1 -16.185 10.638 2.223 1.00 34.20 H new ATOM 0 HG2 MET A 1 -13.785 10.544 1.604 1.00 22.34 H new ATOM 0 HG3 MET A 1 -13.724 12.294 1.558 1.00 22.34 H new ATOM 0 HE1 MET A 1 -11.691 11.354 4.825 1.00 71.10 H new ATOM 0 HE2 MET A 1 -11.770 10.414 3.315 1.00 71.10 H new ATOM 0 HE3 MET A 1 -11.636 12.188 3.254 1.00 71.10 H new ATOM 20 N THR A 2 -14.395 10.308 -1.127 1.00 72.34 N ATOM 21 CA THR A 2 -13.817 9.151 -1.829 1.00 72.21 C ATOM 22 C THR A 2 -12.288 9.093 -1.689 1.00 14.23 C ATOM 23 O THR A 2 -11.611 10.124 -1.671 1.00 24.21 O ATOM 24 CB THR A 2 -14.192 9.157 -3.330 1.00 23.12 C ATOM 25 OG1 THR A 2 -13.579 8.044 -4.000 1.00 33.44 O ATOM 26 CG2 THR A 2 -13.764 10.454 -4.004 1.00 1.45 C ATOM 0 H THR A 2 -13.873 11.177 -1.242 1.00 72.34 H new ATOM 0 HA THR A 2 -14.241 8.265 -1.356 1.00 72.21 H new ATOM 0 HB THR A 2 -15.277 9.074 -3.400 1.00 23.12 H new ATOM 0 HG1 THR A 2 -13.825 8.057 -4.949 1.00 33.44 H new ATOM 0 HG21 THR A 2 -14.042 10.426 -5.058 1.00 1.45 H new ATOM 0 HG22 THR A 2 -14.259 11.296 -3.520 1.00 1.45 H new ATOM 0 HG23 THR A 2 -12.684 10.570 -3.917 1.00 1.45 H new ATOM 34 N GLN A 3 -11.751 7.878 -1.595 1.00 53.03 N ATOM 35 CA GLN A 3 -10.307 7.666 -1.423 1.00 21.31 C ATOM 36 C GLN A 3 -9.610 7.396 -2.767 1.00 63.40 C ATOM 37 O GLN A 3 -9.919 6.413 -3.445 1.00 11.30 O ATOM 38 CB GLN A 3 -10.066 6.483 -0.471 1.00 73.21 C ATOM 39 CG GLN A 3 -10.656 6.681 0.923 1.00 31.30 C ATOM 40 CD GLN A 3 -10.535 5.450 1.816 1.00 74.44 C ATOM 41 OE1 GLN A 3 -10.631 4.266 1.240 1.00 24.10 O flip ATOM 42 NE2 GLN A 3 -10.390 5.565 3.028 1.00 62.42 N flip ATOM 0 H GLN A 3 -12.296 7.016 -1.635 1.00 53.03 H new ATOM 0 HA GLN A 3 -9.883 8.577 -1.000 1.00 21.31 H new ATOM 0 HB2 GLN A 3 -10.493 5.582 -0.911 1.00 73.21 H new ATOM 0 HB3 GLN A 3 -8.993 6.315 -0.380 1.00 73.21 H new ATOM 0 HG2 GLN A 3 -10.155 7.520 1.405 1.00 31.30 H new ATOM 0 HG3 GLN A 3 -11.708 6.950 0.829 1.00 31.30 H new ATOM 0 HE21 GLN A 3 -10.319 6.492 3.447 1.00 62.42 H new ATOM 0 HE22 GLN A 3 -10.341 4.734 3.617 1.00 62.42 H new ATOM 51 N LYS A 4 -8.668 8.266 -3.152 1.00 63.25 N ATOM 52 CA LYS A 4 -7.884 8.056 -4.381 1.00 45.42 C ATOM 53 C LYS A 4 -6.888 6.904 -4.192 1.00 10.23 C ATOM 54 O LYS A 4 -6.496 6.239 -5.153 1.00 2.52 O ATOM 55 CB LYS A 4 -7.157 9.346 -4.805 1.00 74.31 C ATOM 56 CG LYS A 4 -8.106 10.486 -5.176 1.00 2.21 C ATOM 57 CD LYS A 4 -7.388 11.646 -5.870 1.00 14.05 C ATOM 58 CE LYS A 4 -6.346 12.314 -4.977 1.00 62.21 C ATOM 59 NZ LYS A 4 -5.722 13.490 -5.644 1.00 1.12 N ATOM 0 H LYS A 4 -8.430 9.114 -2.638 1.00 63.25 H new ATOM 0 HA LYS A 4 -8.574 7.787 -5.181 1.00 45.42 H new ATOM 0 HB2 LYS A 4 -6.509 9.673 -3.992 1.00 74.31 H new ATOM 0 HB3 LYS A 4 -6.513 9.128 -5.657 1.00 74.31 H new ATOM 0 HG2 LYS A 4 -8.889 10.104 -5.831 1.00 2.21 H new ATOM 0 HG3 LYS A 4 -8.596 10.854 -4.275 1.00 2.21 H new ATOM 0 HD2 LYS A 4 -6.903 11.279 -6.774 1.00 14.05 H new ATOM 0 HD3 LYS A 4 -8.123 12.388 -6.181 1.00 14.05 H new ATOM 0 HE2 LYS A 4 -6.814 12.630 -4.045 1.00 62.21 H new ATOM 0 HE3 LYS A 4 -5.573 11.591 -4.716 1.00 62.21 H new ATOM 0 HZ1 LYS A 4 -5.305 14.116 -4.926 1.00 1.12 H new ATOM 0 HZ2 LYS A 4 -4.978 13.166 -6.294 1.00 1.12 H new ATOM 0 HZ3 LYS A 4 -6.446 14.011 -6.179 1.00 1.12 H new ATOM 73 N PHE A 5 -6.478 6.689 -2.946 1.00 63.33 N ATOM 74 CA PHE A 5 -5.717 5.498 -2.568 1.00 43.14 C ATOM 75 C PHE A 5 -6.611 4.565 -1.737 1.00 4.52 C ATOM 76 O PHE A 5 -6.806 4.779 -0.537 1.00 64.00 O ATOM 77 CB PHE A 5 -4.465 5.887 -1.768 1.00 23.23 C ATOM 78 CG PHE A 5 -3.499 6.764 -2.529 1.00 14.43 C ATOM 79 CD1 PHE A 5 -2.488 6.203 -3.302 1.00 63.41 C ATOM 80 CD2 PHE A 5 -3.598 8.149 -2.472 1.00 73.12 C ATOM 81 CE1 PHE A 5 -1.602 7.005 -3.998 1.00 44.02 C ATOM 82 CE2 PHE A 5 -2.712 8.952 -3.166 1.00 40.31 C ATOM 83 CZ PHE A 5 -1.715 8.380 -3.930 1.00 23.54 C ATOM 0 H PHE A 5 -6.661 7.329 -2.173 1.00 63.33 H new ATOM 0 HA PHE A 5 -5.394 4.981 -3.472 1.00 43.14 H new ATOM 0 HB2 PHE A 5 -4.773 6.406 -0.860 1.00 23.23 H new ATOM 0 HB3 PHE A 5 -3.948 4.979 -1.457 1.00 23.23 H new ATOM 0 HD1 PHE A 5 -2.394 5.129 -3.359 1.00 63.41 H new ATOM 0 HD2 PHE A 5 -4.377 8.604 -1.878 1.00 73.12 H new ATOM 0 HE1 PHE A 5 -0.822 6.556 -4.595 1.00 44.02 H new ATOM 0 HE2 PHE A 5 -2.800 10.027 -3.110 1.00 40.31 H new ATOM 0 HZ PHE A 5 -1.024 9.007 -4.474 1.00 23.54 H new ATOM 93 N THR A 6 -7.184 3.554 -2.385 1.00 2.32 N ATOM 94 CA THR A 6 -8.156 2.665 -1.727 1.00 72.24 C ATOM 95 C THR A 6 -7.570 1.285 -1.415 1.00 41.23 C ATOM 96 O THR A 6 -6.450 0.969 -1.798 1.00 45.42 O ATOM 97 CB THR A 6 -9.431 2.484 -2.588 1.00 50.20 C ATOM 98 OG1 THR A 6 -10.351 1.595 -1.932 1.00 23.13 O ATOM 99 CG2 THR A 6 -9.094 1.937 -3.969 1.00 43.51 C ATOM 0 H THR A 6 -6.998 3.325 -3.361 1.00 2.32 H new ATOM 0 HA THR A 6 -8.415 3.152 -0.787 1.00 72.24 H new ATOM 0 HB THR A 6 -9.892 3.465 -2.708 1.00 50.20 H new ATOM 0 HG1 THR A 6 -11.154 1.489 -2.484 1.00 23.13 H new ATOM 0 HG21 THR A 6 -10.010 1.822 -4.548 1.00 43.51 H new ATOM 0 HG22 THR A 6 -8.426 2.629 -4.481 1.00 43.51 H new ATOM 0 HG23 THR A 6 -8.605 0.968 -3.867 1.00 43.51 H new ATOM 107 N LYS A 7 -8.347 0.457 -0.726 1.00 35.00 N ATOM 108 CA LYS A 7 -7.900 -0.883 -0.334 1.00 34.14 C ATOM 109 C LYS A 7 -8.115 -1.913 -1.455 1.00 64.32 C ATOM 110 O LYS A 7 -7.496 -2.977 -1.454 1.00 2.23 O ATOM 111 CB LYS A 7 -8.636 -1.330 0.931 1.00 41.41 C ATOM 112 CG LYS A 7 -10.157 -1.310 0.804 1.00 23.03 C ATOM 113 CD LYS A 7 -10.831 -1.773 2.091 1.00 64.52 C ATOM 114 CE LYS A 7 -10.444 -0.900 3.279 1.00 53.03 C ATOM 115 NZ LYS A 7 -10.997 -1.420 4.557 1.00 51.45 N ATOM 0 H LYS A 7 -9.294 0.687 -0.424 1.00 35.00 H new ATOM 0 HA LYS A 7 -6.829 -0.828 -0.138 1.00 34.14 H new ATOM 0 HB2 LYS A 7 -8.316 -2.340 1.187 1.00 41.41 H new ATOM 0 HB3 LYS A 7 -8.342 -0.683 1.758 1.00 41.41 H new ATOM 0 HG2 LYS A 7 -10.490 -0.301 0.560 1.00 23.03 H new ATOM 0 HG3 LYS A 7 -10.463 -1.954 -0.020 1.00 23.03 H new ATOM 0 HD2 LYS A 7 -11.913 -1.752 1.962 1.00 64.52 H new ATOM 0 HD3 LYS A 7 -10.554 -2.807 2.295 1.00 64.52 H new ATOM 0 HE2 LYS A 7 -9.358 -0.845 3.350 1.00 53.03 H new ATOM 0 HE3 LYS A 7 -10.804 0.116 3.115 1.00 53.03 H new ATOM 0 HZ1 LYS A 7 -10.696 -0.806 5.341 1.00 51.45 H new ATOM 0 HZ2 LYS A 7 -12.036 -1.432 4.506 1.00 51.45 H new ATOM 0 HZ3 LYS A 7 -10.647 -2.386 4.719 1.00 51.45 H new ATOM 129 N ASP A 8 -9.001 -1.591 -2.400 1.00 70.43 N ATOM 130 CA ASP A 8 -9.301 -2.489 -3.525 1.00 62.31 C ATOM 131 C ASP A 8 -8.168 -2.487 -4.566 1.00 2.24 C ATOM 132 O ASP A 8 -7.895 -3.502 -5.212 1.00 42.22 O ATOM 133 CB ASP A 8 -10.625 -2.076 -4.180 1.00 72.31 C ATOM 134 CG ASP A 8 -11.010 -2.968 -5.352 1.00 44.04 C ATOM 135 OD1 ASP A 8 -11.567 -4.058 -5.119 1.00 3.01 O ATOM 136 OD2 ASP A 8 -10.760 -2.577 -6.514 1.00 44.34 O ATOM 0 H ASP A 8 -9.525 -0.716 -2.411 1.00 70.43 H new ATOM 0 HA ASP A 8 -9.390 -3.503 -3.135 1.00 62.31 H new ATOM 0 HB2 ASP A 8 -11.418 -2.104 -3.433 1.00 72.31 H new ATOM 0 HB3 ASP A 8 -10.548 -1.045 -4.525 1.00 72.31 H new ATOM 141 N MET A 9 -7.509 -1.341 -4.722 1.00 65.22 N ATOM 142 CA MET A 9 -6.416 -1.203 -5.690 1.00 25.34 C ATOM 143 C MET A 9 -5.173 -1.985 -5.238 1.00 65.44 C ATOM 144 O MET A 9 -4.895 -2.101 -4.040 1.00 64.21 O ATOM 145 CB MET A 9 -6.076 0.281 -5.900 1.00 74.41 C ATOM 146 CG MET A 9 -5.517 0.974 -4.667 1.00 22.42 C ATOM 147 SD MET A 9 -5.478 2.773 -4.833 1.00 42.04 S ATOM 148 CE MET A 9 -4.421 2.978 -6.267 1.00 53.11 C ATOM 0 H MET A 9 -7.710 -0.493 -4.192 1.00 65.22 H new ATOM 0 HA MET A 9 -6.747 -1.624 -6.639 1.00 25.34 H new ATOM 0 HB2 MET A 9 -5.351 0.365 -6.710 1.00 74.41 H new ATOM 0 HB3 MET A 9 -6.975 0.806 -6.222 1.00 74.41 H new ATOM 0 HG2 MET A 9 -6.121 0.707 -3.800 1.00 22.42 H new ATOM 0 HG3 MET A 9 -4.508 0.609 -4.477 1.00 22.42 H new ATOM 0 HE1 MET A 9 -4.163 4.031 -6.381 1.00 53.11 H new ATOM 0 HE2 MET A 9 -3.511 2.393 -6.134 1.00 53.11 H new ATOM 0 HE3 MET A 9 -4.946 2.635 -7.158 1.00 53.11 H new ATOM 158 N THR A 10 -4.435 -2.527 -6.200 1.00 60.14 N ATOM 159 CA THR A 10 -3.252 -3.340 -5.900 1.00 0.03 C ATOM 160 C THR A 10 -2.044 -2.472 -5.540 1.00 51.41 C ATOM 161 O THR A 10 -2.003 -1.278 -5.857 1.00 4.31 O ATOM 162 CB THR A 10 -2.857 -4.245 -7.092 1.00 5.30 C ATOM 163 OG1 THR A 10 -2.276 -3.461 -8.146 1.00 14.22 O ATOM 164 CG2 THR A 10 -4.067 -5.001 -7.636 1.00 63.41 C ATOM 0 H THR A 10 -4.631 -2.421 -7.195 1.00 60.14 H new ATOM 0 HA THR A 10 -3.526 -3.960 -5.046 1.00 0.03 H new ATOM 0 HB THR A 10 -2.126 -4.967 -6.728 1.00 5.30 H new ATOM 0 HG1 THR A 10 -2.030 -4.047 -8.892 1.00 14.22 H new ATOM 0 HG21 THR A 10 -3.758 -5.628 -8.472 1.00 63.41 H new ATOM 0 HG22 THR A 10 -4.489 -5.627 -6.849 1.00 63.41 H new ATOM 0 HG23 THR A 10 -4.819 -4.288 -7.975 1.00 63.41 H new ATOM 172 N PHE A 11 -1.060 -3.080 -4.875 1.00 10.33 N ATOM 173 CA PHE A 11 0.192 -2.389 -4.541 1.00 32.03 C ATOM 174 C PHE A 11 0.835 -1.762 -5.789 1.00 4.11 C ATOM 175 O PHE A 11 1.329 -0.635 -5.745 1.00 31.44 O ATOM 176 CB PHE A 11 1.180 -3.352 -3.868 1.00 11.10 C ATOM 177 CG PHE A 11 0.768 -3.771 -2.479 1.00 61.50 C ATOM 178 CD1 PHE A 11 -0.026 -4.889 -2.282 1.00 5.35 C ATOM 179 CD2 PHE A 11 1.174 -3.041 -1.371 1.00 74.11 C ATOM 180 CE1 PHE A 11 -0.407 -5.271 -1.011 1.00 52.53 C ATOM 181 CE2 PHE A 11 0.795 -3.419 -0.098 1.00 74.11 C ATOM 182 CZ PHE A 11 0.004 -4.534 0.082 1.00 21.11 C ATOM 0 H PHE A 11 -1.103 -4.048 -4.556 1.00 10.33 H new ATOM 0 HA PHE A 11 -0.051 -1.588 -3.843 1.00 32.03 H new ATOM 0 HB2 PHE A 11 1.287 -4.241 -4.489 1.00 11.10 H new ATOM 0 HB3 PHE A 11 2.160 -2.877 -3.819 1.00 11.10 H new ATOM 0 HD1 PHE A 11 -0.351 -5.469 -3.133 1.00 5.35 H new ATOM 0 HD2 PHE A 11 1.794 -2.167 -1.506 1.00 74.11 H new ATOM 0 HE1 PHE A 11 -1.026 -6.145 -0.872 1.00 52.53 H new ATOM 0 HE2 PHE A 11 1.118 -2.842 0.756 1.00 74.11 H new ATOM 0 HZ PHE A 11 -0.294 -4.831 1.077 1.00 21.11 H new ATOM 192 N ALA A 12 0.813 -2.498 -6.901 1.00 4.44 N ATOM 193 CA ALA A 12 1.346 -1.996 -8.173 1.00 30.23 C ATOM 194 C ALA A 12 0.643 -0.696 -8.600 1.00 70.12 C ATOM 195 O ALA A 12 1.299 0.292 -8.940 1.00 44.03 O ATOM 196 CB ALA A 12 1.209 -3.057 -9.261 1.00 41.12 C ATOM 0 H ALA A 12 0.433 -3.443 -6.949 1.00 4.44 H new ATOM 0 HA ALA A 12 2.403 -1.773 -8.029 1.00 30.23 H new ATOM 0 HB1 ALA A 12 1.608 -2.670 -10.199 1.00 41.12 H new ATOM 0 HB2 ALA A 12 1.764 -3.949 -8.971 1.00 41.12 H new ATOM 0 HB3 ALA A 12 0.157 -3.310 -9.392 1.00 41.12 H new ATOM 202 N GLN A 13 -0.694 -0.699 -8.559 1.00 62.34 N ATOM 203 CA GLN A 13 -1.483 0.490 -8.917 1.00 2.35 C ATOM 204 C GLN A 13 -1.064 1.703 -8.066 1.00 52.41 C ATOM 205 O GLN A 13 -0.812 2.790 -8.590 1.00 41.52 O ATOM 206 CB GLN A 13 -2.986 0.220 -8.725 1.00 23.33 C ATOM 207 CG GLN A 13 -3.533 -0.923 -9.580 1.00 41.31 C ATOM 208 CD GLN A 13 -5.004 -1.219 -9.317 1.00 5.33 C ATOM 209 OE1 GLN A 13 -5.777 -0.198 -8.996 1.00 25.22 O flip ATOM 210 NE2 GLN A 13 -5.450 -2.356 -9.417 1.00 11.43 N flip ATOM 0 H GLN A 13 -1.252 -1.507 -8.283 1.00 62.34 H new ATOM 0 HA GLN A 13 -1.291 0.713 -9.967 1.00 2.35 H new ATOM 0 HB2 GLN A 13 -3.172 -0.006 -7.675 1.00 23.33 H new ATOM 0 HB3 GLN A 13 -3.539 1.130 -8.958 1.00 23.33 H new ATOM 0 HG2 GLN A 13 -3.402 -0.675 -10.633 1.00 41.31 H new ATOM 0 HG3 GLN A 13 -2.948 -1.823 -9.389 1.00 41.31 H new ATOM 0 HE21 GLN A 13 -4.830 -3.127 -9.666 1.00 11.43 H new ATOM 0 HE22 GLN A 13 -6.441 -2.532 -9.251 1.00 11.43 H new ATOM 219 N ALA A 14 -0.980 1.498 -6.750 1.00 55.01 N ATOM 220 CA ALA A 14 -0.596 2.562 -5.811 1.00 64.21 C ATOM 221 C ALA A 14 0.801 3.129 -6.123 1.00 4.24 C ATOM 222 O ALA A 14 0.976 4.345 -6.232 1.00 4.31 O ATOM 223 CB ALA A 14 -0.647 2.042 -4.377 1.00 10.14 C ATOM 0 H ALA A 14 -1.173 0.601 -6.305 1.00 55.01 H new ATOM 0 HA ALA A 14 -1.312 3.376 -5.926 1.00 64.21 H new ATOM 0 HB1 ALA A 14 -0.361 2.839 -3.691 1.00 10.14 H new ATOM 0 HB2 ALA A 14 -1.659 1.710 -4.146 1.00 10.14 H new ATOM 0 HB3 ALA A 14 0.043 1.205 -4.269 1.00 10.14 H new ATOM 229 N LEU A 15 1.784 2.240 -6.281 1.00 75.51 N ATOM 230 CA LEU A 15 3.167 2.646 -6.581 1.00 33.14 C ATOM 231 C LEU A 15 3.256 3.454 -7.889 1.00 43.50 C ATOM 232 O LEU A 15 4.086 4.355 -8.022 1.00 54.45 O ATOM 233 CB LEU A 15 4.074 1.409 -6.669 1.00 43.24 C ATOM 234 CG LEU A 15 4.200 0.587 -5.373 1.00 12.24 C ATOM 235 CD1 LEU A 15 5.085 -0.640 -5.595 1.00 43.22 C ATOM 236 CD2 LEU A 15 4.741 1.451 -4.234 1.00 61.25 C ATOM 0 H LEU A 15 1.652 1.231 -6.207 1.00 75.51 H new ATOM 0 HA LEU A 15 3.504 3.289 -5.768 1.00 33.14 H new ATOM 0 HB2 LEU A 15 3.695 0.758 -7.457 1.00 43.24 H new ATOM 0 HB3 LEU A 15 5.070 1.731 -6.973 1.00 43.24 H new ATOM 0 HG LEU A 15 3.206 0.240 -5.091 1.00 12.24 H new ATOM 0 HD11 LEU A 15 5.161 -1.207 -4.667 1.00 43.22 H new ATOM 0 HD12 LEU A 15 4.647 -1.269 -6.370 1.00 43.22 H new ATOM 0 HD13 LEU A 15 6.079 -0.320 -5.907 1.00 43.22 H new ATOM 0 HD21 LEU A 15 4.822 0.850 -3.328 1.00 61.25 H new ATOM 0 HD22 LEU A 15 5.725 1.835 -4.504 1.00 61.25 H new ATOM 0 HD23 LEU A 15 4.063 2.285 -4.056 1.00 61.25 H new ATOM 248 N GLN A 16 2.401 3.121 -8.856 1.00 13.14 N ATOM 249 CA GLN A 16 2.375 3.831 -10.142 1.00 72.50 C ATOM 250 C GLN A 16 1.606 5.162 -10.047 1.00 11.51 C ATOM 251 O GLN A 16 1.748 6.035 -10.908 1.00 21.11 O ATOM 252 CB GLN A 16 1.758 2.937 -11.227 1.00 34.12 C ATOM 253 CG GLN A 16 2.535 1.647 -11.484 1.00 61.20 C ATOM 254 CD GLN A 16 3.957 1.892 -11.969 1.00 20.44 C ATOM 255 OE1 GLN A 16 4.214 1.988 -13.167 1.00 41.11 O ATOM 256 NE2 GLN A 16 4.893 1.991 -11.046 1.00 52.34 N ATOM 0 H GLN A 16 1.718 2.367 -8.777 1.00 13.14 H new ATOM 0 HA GLN A 16 3.405 4.066 -10.410 1.00 72.50 H new ATOM 0 HB2 GLN A 16 0.738 2.683 -10.938 1.00 34.12 H new ATOM 0 HB3 GLN A 16 1.695 3.502 -12.157 1.00 34.12 H new ATOM 0 HG2 GLN A 16 2.567 1.060 -10.566 1.00 61.20 H new ATOM 0 HG3 GLN A 16 2.003 1.051 -12.225 1.00 61.20 H new ATOM 0 HE21 GLN A 16 4.647 1.907 -10.060 1.00 52.34 H new ATOM 0 HE22 GLN A 16 5.863 2.152 -11.318 1.00 52.34 H new ATOM 265 N THR A 17 0.792 5.314 -9.002 1.00 44.44 N ATOM 266 CA THR A 17 0.037 6.559 -8.778 1.00 73.41 C ATOM 267 C THR A 17 0.962 7.676 -8.264 1.00 0.23 C ATOM 268 O THR A 17 1.083 8.733 -8.885 1.00 5.21 O ATOM 269 CB THR A 17 -1.121 6.352 -7.765 1.00 61.33 C ATOM 270 OG1 THR A 17 -1.984 5.291 -8.205 1.00 10.41 O ATOM 271 CG2 THR A 17 -1.942 7.628 -7.590 1.00 15.33 C ATOM 0 H THR A 17 0.635 4.595 -8.295 1.00 44.44 H new ATOM 0 HA THR A 17 -0.387 6.850 -9.739 1.00 73.41 H new ATOM 0 HB THR A 17 -0.675 6.090 -6.805 1.00 61.33 H new ATOM 0 HG1 THR A 17 -1.470 4.459 -8.276 1.00 10.41 H new ATOM 0 HG21 THR A 17 -2.745 7.449 -6.874 1.00 15.33 H new ATOM 0 HG22 THR A 17 -1.299 8.427 -7.221 1.00 15.33 H new ATOM 0 HG23 THR A 17 -2.370 7.920 -8.549 1.00 15.33 H new ATOM 279 N HIS A 18 1.605 7.433 -7.122 1.00 22.15 N ATOM 280 CA HIS A 18 2.589 8.368 -6.547 1.00 60.45 C ATOM 281 C HIS A 18 3.777 7.605 -5.935 1.00 2.02 C ATOM 282 O HIS A 18 3.591 6.762 -5.057 1.00 61.03 O ATOM 283 CB HIS A 18 1.936 9.275 -5.482 1.00 23.12 C ATOM 284 CG HIS A 18 1.554 10.639 -5.988 1.00 54.34 C ATOM 285 ND1 HIS A 18 0.849 10.854 -7.152 1.00 2.20 N ATOM 286 CD2 HIS A 18 1.815 11.872 -5.483 1.00 53.25 C ATOM 287 CE1 HIS A 18 0.696 12.151 -7.341 1.00 3.41 C ATOM 288 NE2 HIS A 18 1.269 12.790 -6.342 1.00 31.25 N ATOM 0 H HIS A 18 1.464 6.589 -6.567 1.00 22.15 H new ATOM 0 HA HIS A 18 2.959 8.998 -7.356 1.00 60.45 H new ATOM 0 HB2 HIS A 18 1.045 8.780 -5.095 1.00 23.12 H new ATOM 0 HB3 HIS A 18 2.625 9.389 -4.646 1.00 23.12 H new ATOM 0 HD1 HIS A 18 0.499 10.123 -7.772 1.00 2.20 H new ATOM 0 HD2 HIS A 18 2.354 12.089 -4.572 1.00 53.25 H new ATOM 0 HE1 HIS A 18 0.187 12.611 -8.175 1.00 3.41 H new ATOM 297 N PRO A 19 5.015 7.898 -6.383 1.00 40.42 N ATOM 298 CA PRO A 19 6.228 7.213 -5.890 1.00 24.22 C ATOM 299 C PRO A 19 6.410 7.319 -4.364 1.00 55.33 C ATOM 300 O PRO A 19 7.080 6.482 -3.754 1.00 44.45 O ATOM 301 CB PRO A 19 7.377 7.923 -6.632 1.00 61.44 C ATOM 302 CG PRO A 19 6.789 9.201 -7.137 1.00 33.21 C ATOM 303 CD PRO A 19 5.341 8.904 -7.409 1.00 24.30 C ATOM 0 HA PRO A 19 6.182 6.141 -6.080 1.00 24.22 H new ATOM 0 HB2 PRO A 19 8.218 8.113 -5.965 1.00 61.44 H new ATOM 0 HB3 PRO A 19 7.753 7.312 -7.452 1.00 61.44 H new ATOM 0 HG2 PRO A 19 6.893 9.998 -6.401 1.00 33.21 H new ATOM 0 HG3 PRO A 19 7.297 9.535 -8.042 1.00 33.21 H new ATOM 0 HD2 PRO A 19 4.721 9.795 -7.313 1.00 24.30 H new ATOM 0 HD3 PRO A 19 5.190 8.517 -8.417 1.00 24.30 H new ATOM 311 N GLY A 20 5.812 8.345 -3.750 1.00 31.43 N ATOM 312 CA GLY A 20 5.870 8.499 -2.298 1.00 40.25 C ATOM 313 C GLY A 20 5.282 7.303 -1.541 1.00 64.11 C ATOM 314 O GLY A 20 5.711 6.985 -0.426 1.00 3.33 O ATOM 0 H GLY A 20 5.287 9.074 -4.233 1.00 31.43 H new ATOM 0 HA2 GLY A 20 6.908 8.638 -1.995 1.00 40.25 H new ATOM 0 HA3 GLY A 20 5.331 9.402 -2.013 1.00 40.25 H new ATOM 318 N VAL A 21 4.302 6.640 -2.159 1.00 33.41 N ATOM 319 CA VAL A 21 3.661 5.456 -1.572 1.00 14.15 C ATOM 320 C VAL A 21 4.697 4.382 -1.191 1.00 10.41 C ATOM 321 O VAL A 21 4.552 3.702 -0.173 1.00 31.35 O ATOM 322 CB VAL A 21 2.616 4.850 -2.549 1.00 5.34 C ATOM 323 CG1 VAL A 21 2.003 3.565 -1.986 1.00 15.32 C ATOM 324 CG2 VAL A 21 1.526 5.875 -2.872 1.00 62.52 C ATOM 0 H VAL A 21 3.931 6.904 -3.072 1.00 33.41 H new ATOM 0 HA VAL A 21 3.154 5.783 -0.664 1.00 14.15 H new ATOM 0 HB VAL A 21 3.133 4.591 -3.473 1.00 5.34 H new ATOM 0 HG11 VAL A 21 1.276 3.168 -2.695 1.00 15.32 H new ATOM 0 HG12 VAL A 21 2.789 2.828 -1.821 1.00 15.32 H new ATOM 0 HG13 VAL A 21 1.506 3.783 -1.041 1.00 15.32 H new ATOM 0 HG21 VAL A 21 0.803 5.433 -3.558 1.00 62.52 H new ATOM 0 HG22 VAL A 21 1.021 6.171 -1.953 1.00 62.52 H new ATOM 0 HG23 VAL A 21 1.977 6.752 -3.336 1.00 62.52 H new ATOM 334 N ALA A 22 5.749 4.255 -2.003 1.00 60.41 N ATOM 335 CA ALA A 22 6.814 3.276 -1.747 1.00 24.00 C ATOM 336 C ALA A 22 7.439 3.467 -0.356 1.00 60.12 C ATOM 337 O ALA A 22 7.586 2.510 0.405 1.00 2.45 O ATOM 338 CB ALA A 22 7.887 3.376 -2.827 1.00 14.52 C ATOM 0 H ALA A 22 5.888 4.816 -2.843 1.00 60.41 H new ATOM 0 HA ALA A 22 6.367 2.282 -1.774 1.00 24.00 H new ATOM 0 HB1 ALA A 22 8.672 2.646 -2.629 1.00 14.52 H new ATOM 0 HB2 ALA A 22 7.442 3.174 -3.802 1.00 14.52 H new ATOM 0 HB3 ALA A 22 8.314 4.379 -2.824 1.00 14.52 H new ATOM 344 N GLY A 23 7.784 4.714 -0.026 1.00 52.21 N ATOM 345 CA GLY A 23 8.364 5.017 1.279 1.00 11.22 C ATOM 346 C GLY A 23 7.434 4.665 2.436 1.00 23.30 C ATOM 347 O GLY A 23 7.866 4.084 3.436 1.00 22.34 O ATOM 0 H GLY A 23 7.672 5.521 -0.640 1.00 52.21 H new ATOM 0 HA2 GLY A 23 9.300 4.469 1.392 1.00 11.22 H new ATOM 0 HA3 GLY A 23 8.608 6.078 1.325 1.00 11.22 H new ATOM 351 N VAL A 24 6.151 4.999 2.286 1.00 44.04 N ATOM 352 CA VAL A 24 5.140 4.696 3.309 1.00 51.41 C ATOM 353 C VAL A 24 4.975 3.175 3.509 1.00 22.20 C ATOM 354 O VAL A 24 5.002 2.677 4.638 1.00 2.25 O ATOM 355 CB VAL A 24 3.768 5.317 2.942 1.00 43.24 C ATOM 356 CG1 VAL A 24 2.736 5.054 4.039 1.00 14.32 C ATOM 357 CG2 VAL A 24 3.906 6.817 2.675 1.00 32.42 C ATOM 0 H VAL A 24 5.784 5.481 1.465 1.00 44.04 H new ATOM 0 HA VAL A 24 5.493 5.136 4.242 1.00 51.41 H new ATOM 0 HB VAL A 24 3.416 4.839 2.028 1.00 43.24 H new ATOM 0 HG11 VAL A 24 1.783 5.500 3.756 1.00 14.32 H new ATOM 0 HG12 VAL A 24 2.609 3.979 4.169 1.00 14.32 H new ATOM 0 HG13 VAL A 24 3.079 5.495 4.975 1.00 14.32 H new ATOM 0 HG21 VAL A 24 2.931 7.232 2.419 1.00 32.42 H new ATOM 0 HG22 VAL A 24 4.288 7.312 3.568 1.00 32.42 H new ATOM 0 HG23 VAL A 24 4.597 6.977 1.847 1.00 32.42 H new ATOM 367 N LEU A 25 4.818 2.437 2.408 1.00 54.23 N ATOM 368 CA LEU A 25 4.682 0.974 2.469 1.00 43.02 C ATOM 369 C LEU A 25 5.901 0.330 3.146 1.00 14.02 C ATOM 370 O LEU A 25 5.764 -0.513 4.037 1.00 70.55 O ATOM 371 CB LEU A 25 4.498 0.385 1.062 1.00 24.30 C ATOM 372 CG LEU A 25 3.234 0.844 0.313 1.00 73.02 C ATOM 373 CD1 LEU A 25 3.146 0.183 -1.061 1.00 30.40 C ATOM 374 CD2 LEU A 25 1.978 0.556 1.135 1.00 3.13 C ATOM 0 H LEU A 25 4.782 2.824 1.465 1.00 54.23 H new ATOM 0 HA LEU A 25 3.797 0.752 3.065 1.00 43.02 H new ATOM 0 HB2 LEU A 25 5.370 0.644 0.461 1.00 24.30 H new ATOM 0 HB3 LEU A 25 4.478 -0.702 1.142 1.00 24.30 H new ATOM 0 HG LEU A 25 3.302 1.922 0.167 1.00 73.02 H new ATOM 0 HD11 LEU A 25 2.245 0.523 -1.571 1.00 30.40 H new ATOM 0 HD12 LEU A 25 4.021 0.454 -1.652 1.00 30.40 H new ATOM 0 HD13 LEU A 25 3.109 -0.900 -0.942 1.00 30.40 H new ATOM 0 HD21 LEU A 25 1.098 0.889 0.584 1.00 3.13 H new ATOM 0 HD22 LEU A 25 1.904 -0.515 1.323 1.00 3.13 H new ATOM 0 HD23 LEU A 25 2.035 1.088 2.085 1.00 3.13 H new ATOM 386 N ARG A 26 7.097 0.739 2.728 1.00 12.51 N ATOM 387 CA ARG A 26 8.336 0.241 3.337 1.00 12.23 C ATOM 388 C ARG A 26 8.424 0.633 4.825 1.00 52.52 C ATOM 389 O ARG A 26 9.006 -0.092 5.632 1.00 32.11 O ATOM 390 CB ARG A 26 9.563 0.753 2.564 1.00 54.22 C ATOM 391 CG ARG A 26 9.613 0.270 1.114 1.00 20.13 C ATOM 392 CD ARG A 26 10.887 0.712 0.400 1.00 51.33 C ATOM 393 NE ARG A 26 12.088 0.181 1.047 1.00 32.14 N ATOM 394 CZ ARG A 26 12.852 -0.753 0.542 1.00 43.01 C ATOM 395 NH1 ARG A 26 12.590 -1.272 -0.616 1.00 35.11 N ATOM 396 NH2 ARG A 26 13.879 -1.170 1.198 1.00 11.33 N ATOM 0 H ARG A 26 7.238 1.411 1.974 1.00 12.51 H new ATOM 0 HA ARG A 26 8.323 -0.847 3.281 1.00 12.23 H new ATOM 0 HB2 ARG A 26 9.562 1.843 2.576 1.00 54.22 H new ATOM 0 HB3 ARG A 26 10.468 0.429 3.078 1.00 54.22 H new ATOM 0 HG2 ARG A 26 9.546 -0.818 1.093 1.00 20.13 H new ATOM 0 HG3 ARG A 26 8.746 0.653 0.576 1.00 20.13 H new ATOM 0 HD2 ARG A 26 10.856 0.379 -0.637 1.00 51.33 H new ATOM 0 HD3 ARG A 26 10.935 1.801 0.384 1.00 51.33 H new ATOM 0 HE ARG A 26 12.347 0.566 1.955 1.00 32.14 H new ATOM 0 HH11 ARG A 26 11.779 -0.953 -1.146 1.00 35.11 H new ATOM 0 HH12 ARG A 26 13.195 -2.000 -0.997 1.00 35.11 H new ATOM 0 HH21 ARG A 26 14.097 -0.772 2.112 1.00 11.33 H new ATOM 0 HH22 ARG A 26 14.475 -1.898 0.804 1.00 11.33 H new ATOM 410 N SER A 27 7.829 1.772 5.181 1.00 43.44 N ATOM 411 CA SER A 27 7.767 2.219 6.585 1.00 61.14 C ATOM 412 C SER A 27 6.881 1.289 7.432 1.00 31.04 C ATOM 413 O SER A 27 7.192 0.992 8.584 1.00 62.52 O ATOM 414 CB SER A 27 7.231 3.657 6.668 1.00 73.23 C ATOM 415 OG SER A 27 7.148 4.104 8.015 1.00 41.11 O ATOM 0 H SER A 27 7.381 2.407 4.520 1.00 43.44 H new ATOM 0 HA SER A 27 8.781 2.187 6.984 1.00 61.14 H new ATOM 0 HB2 SER A 27 7.883 4.323 6.102 1.00 73.23 H new ATOM 0 HB3 SER A 27 6.245 3.706 6.205 1.00 73.23 H new ATOM 0 HG SER A 27 6.805 5.022 8.035 1.00 41.11 H new ATOM 421 N TYR A 28 5.773 0.829 6.848 1.00 71.03 N ATOM 422 CA TYR A 28 4.855 -0.103 7.527 1.00 40.30 C ATOM 423 C TYR A 28 5.307 -1.571 7.395 1.00 42.23 C ATOM 424 O TYR A 28 4.626 -2.476 7.875 1.00 62.31 O ATOM 425 CB TYR A 28 3.434 0.048 6.960 1.00 34.30 C ATOM 426 CG TYR A 28 2.688 1.279 7.451 1.00 54.11 C ATOM 427 CD1 TYR A 28 3.075 2.560 7.071 1.00 73.15 C ATOM 428 CD2 TYR A 28 1.586 1.152 8.291 1.00 51.14 C ATOM 429 CE1 TYR A 28 2.388 3.676 7.515 1.00 44.14 C ATOM 430 CE2 TYR A 28 0.895 2.261 8.735 1.00 22.04 C ATOM 431 CZ TYR A 28 1.298 3.520 8.344 1.00 45.42 C ATOM 432 OH TYR A 28 0.606 4.624 8.789 1.00 44.01 O ATOM 0 H TYR A 28 5.484 1.084 5.904 1.00 71.03 H new ATOM 0 HA TYR A 28 4.865 0.154 8.586 1.00 40.30 H new ATOM 0 HB2 TYR A 28 3.492 0.084 5.872 1.00 34.30 H new ATOM 0 HB3 TYR A 28 2.856 -0.839 7.220 1.00 34.30 H new ATOM 0 HD1 TYR A 28 3.926 2.686 6.418 1.00 73.15 H new ATOM 0 HD2 TYR A 28 1.266 0.168 8.601 1.00 51.14 H new ATOM 0 HE1 TYR A 28 2.704 4.664 7.214 1.00 44.14 H new ATOM 0 HE2 TYR A 28 0.042 2.143 9.386 1.00 22.04 H new ATOM 0 HH TYR A 28 -0.027 4.354 9.487 1.00 44.01 H new ATOM 442 N ASN A 29 6.462 -1.791 6.762 1.00 24.41 N ATOM 443 CA ASN A 29 6.969 -3.143 6.469 1.00 33.44 C ATOM 444 C ASN A 29 6.127 -3.829 5.374 1.00 11.21 C ATOM 445 O ASN A 29 5.454 -4.835 5.607 1.00 11.43 O ATOM 446 CB ASN A 29 7.040 -4.007 7.741 1.00 2.32 C ATOM 447 CG ASN A 29 7.634 -5.385 7.491 1.00 14.43 C ATOM 448 OD1 ASN A 29 6.922 -6.343 7.202 1.00 52.34 O ATOM 449 ND2 ASN A 29 8.941 -5.497 7.605 1.00 22.22 N ATOM 0 H ASN A 29 7.074 -1.042 6.437 1.00 24.41 H new ATOM 0 HA ASN A 29 7.985 -3.036 6.089 1.00 33.44 H new ATOM 0 HB2 ASN A 29 7.638 -3.490 8.492 1.00 2.32 H new ATOM 0 HB3 ASN A 29 6.037 -4.119 8.154 1.00 2.32 H new ATOM 0 HD21 ASN A 29 9.391 -6.400 7.452 1.00 22.22 H new ATOM 0 HD22 ASN A 29 9.504 -4.681 7.846 1.00 22.22 H new ATOM 456 N LEU A 30 6.148 -3.242 4.181 1.00 41.55 N ATOM 457 CA LEU A 30 5.487 -3.821 3.005 1.00 5.42 C ATOM 458 C LEU A 30 6.419 -3.783 1.783 1.00 55.33 C ATOM 459 O LEU A 30 5.990 -4.012 0.658 1.00 22.15 O ATOM 460 CB LEU A 30 4.179 -3.070 2.697 1.00 14.52 C ATOM 461 CG LEU A 30 3.070 -3.212 3.755 1.00 41.12 C ATOM 462 CD1 LEU A 30 1.905 -2.273 3.451 1.00 1.41 C ATOM 463 CD2 LEU A 30 2.583 -4.659 3.835 1.00 55.21 C ATOM 0 H LEU A 30 6.620 -2.356 3.998 1.00 41.55 H new ATOM 0 HA LEU A 30 5.250 -4.861 3.227 1.00 5.42 H new ATOM 0 HB2 LEU A 30 4.408 -2.011 2.575 1.00 14.52 H new ATOM 0 HB3 LEU A 30 3.793 -3.424 1.741 1.00 14.52 H new ATOM 0 HG LEU A 30 3.489 -2.935 4.722 1.00 41.12 H new ATOM 0 HD11 LEU A 30 1.134 -2.392 4.212 1.00 1.41 H new ATOM 0 HD12 LEU A 30 2.259 -1.242 3.451 1.00 1.41 H new ATOM 0 HD13 LEU A 30 1.489 -2.514 2.473 1.00 1.41 H new ATOM 0 HD21 LEU A 30 1.799 -4.738 4.589 1.00 55.21 H new ATOM 0 HD22 LEU A 30 2.187 -4.964 2.866 1.00 55.21 H new ATOM 0 HD23 LEU A 30 3.415 -5.308 4.107 1.00 55.21 H new ATOM 475 N GLY A 31 7.702 -3.517 2.017 1.00 34.14 N ATOM 476 CA GLY A 31 8.664 -3.430 0.919 1.00 14.22 C ATOM 477 C GLY A 31 8.867 -4.750 0.175 1.00 40.42 C ATOM 478 O GLY A 31 9.298 -4.762 -0.977 1.00 1.53 O ATOM 0 H GLY A 31 8.097 -3.360 2.944 1.00 34.14 H new ATOM 0 HA2 GLY A 31 8.327 -2.672 0.212 1.00 14.22 H new ATOM 0 HA3 GLY A 31 9.623 -3.094 1.313 1.00 14.22 H new ATOM 482 N CYS A 32 8.544 -5.864 0.829 1.00 3.50 N ATOM 483 CA CYS A 32 8.720 -7.196 0.231 1.00 11.22 C ATOM 484 C CYS A 32 7.618 -7.527 -0.794 1.00 40.23 C ATOM 485 O CYS A 32 7.641 -8.592 -1.408 1.00 43.04 O ATOM 486 CB CYS A 32 8.747 -8.273 1.325 1.00 32.34 C ATOM 487 SG CYS A 32 9.014 -9.955 0.707 1.00 51.32 S ATOM 0 H CYS A 32 8.159 -5.876 1.773 1.00 3.50 H new ATOM 0 HA CYS A 32 9.673 -7.184 -0.298 1.00 11.22 H new ATOM 0 HB2 CYS A 32 9.535 -8.031 2.038 1.00 32.34 H new ATOM 0 HB3 CYS A 32 7.804 -8.244 1.871 1.00 32.34 H new ATOM 0 HG CYS A 32 8.391 -10.106 -0.424 1.00 51.32 H new ATOM 493 N ILE A 33 6.663 -6.611 -0.991 1.00 33.12 N ATOM 494 CA ILE A 33 5.546 -6.839 -1.928 1.00 73.05 C ATOM 495 C ILE A 33 6.022 -7.260 -3.331 1.00 22.12 C ATOM 496 O ILE A 33 5.343 -8.025 -4.020 1.00 45.23 O ATOM 497 CB ILE A 33 4.637 -5.588 -2.052 1.00 14.41 C ATOM 498 CG1 ILE A 33 5.486 -4.335 -2.347 1.00 74.24 C ATOM 499 CG2 ILE A 33 3.803 -5.408 -0.784 1.00 22.32 C ATOM 500 CD1 ILE A 33 4.685 -3.052 -2.462 1.00 3.34 C ATOM 0 H ILE A 33 6.637 -5.707 -0.519 1.00 33.12 H new ATOM 0 HA ILE A 33 4.972 -7.662 -1.502 1.00 73.05 H new ATOM 0 HB ILE A 33 3.951 -5.732 -2.886 1.00 14.41 H new ATOM 0 HG12 ILE A 33 6.227 -4.218 -1.556 1.00 74.24 H new ATOM 0 HG13 ILE A 33 6.034 -4.492 -3.276 1.00 74.24 H new ATOM 0 HG21 ILE A 33 3.171 -4.526 -0.887 1.00 22.32 H new ATOM 0 HG22 ILE A 33 3.177 -6.288 -0.632 1.00 22.32 H new ATOM 0 HG23 ILE A 33 4.465 -5.282 0.072 1.00 22.32 H new ATOM 0 HD11 ILE A 33 5.358 -2.220 -2.670 1.00 3.34 H new ATOM 0 HD12 ILE A 33 3.962 -3.146 -3.273 1.00 3.34 H new ATOM 0 HD13 ILE A 33 4.158 -2.867 -1.526 1.00 3.34 H new ATOM 512 N GLY A 34 7.179 -6.756 -3.752 1.00 3.50 N ATOM 513 CA GLY A 34 7.756 -7.176 -5.024 1.00 2.54 C ATOM 514 C GLY A 34 8.221 -8.630 -4.998 1.00 64.23 C ATOM 515 O GLY A 34 7.934 -9.402 -5.914 1.00 44.21 O ATOM 0 H GLY A 34 7.728 -6.066 -3.239 1.00 3.50 H new ATOM 0 HA2 GLY A 34 7.018 -7.047 -5.815 1.00 2.54 H new ATOM 0 HA3 GLY A 34 8.600 -6.531 -5.268 1.00 2.54 H new ATOM 519 N CYS A 35 8.918 -9.009 -3.927 1.00 41.34 N ATOM 520 CA CYS A 35 9.439 -10.375 -3.772 1.00 1.22 C ATOM 521 C CYS A 35 8.306 -11.401 -3.600 1.00 2.30 C ATOM 522 O CYS A 35 8.259 -12.409 -4.302 1.00 62.41 O ATOM 523 CB CYS A 35 10.387 -10.446 -2.567 1.00 30.40 C ATOM 524 SG CYS A 35 11.758 -9.265 -2.629 1.00 1.22 S ATOM 0 H CYS A 35 9.138 -8.389 -3.148 1.00 41.34 H new ATOM 0 HA CYS A 35 9.984 -10.623 -4.683 1.00 1.22 H new ATOM 0 HB2 CYS A 35 9.813 -10.271 -1.657 1.00 30.40 H new ATOM 0 HB3 CYS A 35 10.794 -11.455 -2.499 1.00 30.40 H new ATOM 0 HG CYS A 35 12.497 -9.403 -1.569 1.00 1.22 H new ATOM 530 N MET A 36 7.388 -11.134 -2.668 1.00 72.11 N ATOM 531 CA MET A 36 6.267 -12.051 -2.391 1.00 24.21 C ATOM 532 C MET A 36 5.178 -11.996 -3.484 1.00 34.23 C ATOM 533 O MET A 36 4.144 -12.659 -3.375 1.00 64.54 O ATOM 534 CB MET A 36 5.655 -11.746 -1.010 1.00 12.45 C ATOM 535 CG MET A 36 5.057 -10.349 -0.883 1.00 13.35 C ATOM 536 SD MET A 36 4.477 -9.976 0.788 1.00 12.52 S ATOM 537 CE MET A 36 3.245 -11.261 1.017 1.00 70.02 C ATOM 0 H MET A 36 7.394 -10.293 -2.091 1.00 72.11 H new ATOM 0 HA MET A 36 6.672 -13.063 -2.391 1.00 24.21 H new ATOM 0 HB2 MET A 36 4.878 -12.481 -0.799 1.00 12.45 H new ATOM 0 HB3 MET A 36 6.426 -11.869 -0.249 1.00 12.45 H new ATOM 0 HG2 MET A 36 5.805 -9.612 -1.175 1.00 13.35 H new ATOM 0 HG3 MET A 36 4.225 -10.252 -1.580 1.00 13.35 H new ATOM 0 HE1 MET A 36 2.605 -11.005 1.862 1.00 70.02 H new ATOM 0 HE2 MET A 36 2.638 -11.348 0.116 1.00 70.02 H new ATOM 0 HE3 MET A 36 3.742 -12.211 1.213 1.00 70.02 H new ATOM 547 N GLY A 37 5.411 -11.197 -4.530 1.00 23.33 N ATOM 548 CA GLY A 37 4.491 -11.138 -5.670 1.00 12.44 C ATOM 549 C GLY A 37 3.183 -10.400 -5.381 1.00 31.14 C ATOM 550 O GLY A 37 2.245 -10.452 -6.179 1.00 2.53 O ATOM 0 H GLY A 37 6.224 -10.586 -4.611 1.00 23.33 H new ATOM 0 HA2 GLY A 37 4.994 -10.649 -6.504 1.00 12.44 H new ATOM 0 HA3 GLY A 37 4.259 -12.154 -5.989 1.00 12.44 H new ATOM 554 N ALA A 38 3.135 -9.673 -4.266 1.00 33.03 N ATOM 555 CA ALA A 38 1.911 -8.978 -3.837 1.00 63.10 C ATOM 556 C ALA A 38 1.589 -7.747 -4.707 1.00 3.10 C ATOM 557 O ALA A 38 0.650 -7.006 -4.423 1.00 73.15 O ATOM 558 CB ALA A 38 2.026 -8.570 -2.371 1.00 35.21 C ATOM 0 H ALA A 38 3.929 -9.547 -3.638 1.00 33.03 H new ATOM 0 HA ALA A 38 1.086 -9.679 -3.961 1.00 63.10 H new ATOM 0 HB1 ALA A 38 1.115 -8.056 -2.064 1.00 35.21 H new ATOM 0 HB2 ALA A 38 2.167 -9.459 -1.756 1.00 35.21 H new ATOM 0 HB3 ALA A 38 2.879 -7.903 -2.245 1.00 35.21 H new ATOM 564 N GLN A 39 2.367 -7.534 -5.769 1.00 42.42 N ATOM 565 CA GLN A 39 2.127 -6.419 -6.700 1.00 54.32 C ATOM 566 C GLN A 39 0.714 -6.474 -7.307 1.00 41.40 C ATOM 567 O GLN A 39 0.059 -5.444 -7.476 1.00 73.42 O ATOM 568 CB GLN A 39 3.176 -6.431 -7.819 1.00 60.44 C ATOM 569 CG GLN A 39 4.598 -6.168 -7.338 1.00 74.44 C ATOM 570 CD GLN A 39 4.764 -4.785 -6.737 1.00 22.02 C ATOM 571 OE1 GLN A 39 5.091 -3.830 -7.428 1.00 73.11 O ATOM 572 NE2 GLN A 39 4.527 -4.664 -5.448 1.00 54.35 N ATOM 0 H GLN A 39 3.169 -8.116 -6.010 1.00 42.42 H new ATOM 0 HA GLN A 39 2.209 -5.493 -6.131 1.00 54.32 H new ATOM 0 HB2 GLN A 39 3.146 -7.398 -8.321 1.00 60.44 H new ATOM 0 HB3 GLN A 39 2.909 -5.679 -8.561 1.00 60.44 H new ATOM 0 HG2 GLN A 39 4.871 -6.918 -6.596 1.00 74.44 H new ATOM 0 HG3 GLN A 39 5.287 -6.282 -8.175 1.00 74.44 H new ATOM 0 HE21 GLN A 39 4.256 -5.481 -4.900 1.00 54.35 H new ATOM 0 HE22 GLN A 39 4.614 -3.753 -4.997 1.00 54.35 H new ATOM 581 N ASN A 40 0.248 -7.682 -7.623 1.00 10.44 N ATOM 582 CA ASN A 40 -1.087 -7.881 -8.207 1.00 12.02 C ATOM 583 C ASN A 40 -2.158 -8.055 -7.121 1.00 13.33 C ATOM 584 O ASN A 40 -3.323 -8.319 -7.418 1.00 13.23 O ATOM 585 CB ASN A 40 -1.082 -9.108 -9.128 1.00 12.55 C ATOM 586 CG ASN A 40 -0.053 -8.987 -10.238 1.00 25.54 C ATOM 587 OD1 ASN A 40 -0.324 -8.424 -11.294 1.00 75.03 O ATOM 588 ND2 ASN A 40 1.129 -9.529 -10.020 1.00 3.43 N ATOM 0 H ASN A 40 0.775 -8.544 -7.485 1.00 10.44 H new ATOM 0 HA ASN A 40 -1.332 -6.990 -8.785 1.00 12.02 H new ATOM 0 HB2 ASN A 40 -0.875 -10.002 -8.539 1.00 12.55 H new ATOM 0 HB3 ASN A 40 -2.072 -9.236 -9.565 1.00 12.55 H new ATOM 0 HD21 ASN A 40 1.850 -9.487 -10.740 1.00 3.43 H new ATOM 0 HD22 ASN A 40 1.323 -9.990 -9.131 1.00 3.43 H new ATOM 595 N GLU A 41 -1.763 -7.893 -5.865 1.00 4.13 N ATOM 596 CA GLU A 41 -2.672 -8.083 -4.734 1.00 50.43 C ATOM 597 C GLU A 41 -3.119 -6.729 -4.158 1.00 32.12 C ATOM 598 O GLU A 41 -2.361 -5.755 -4.181 1.00 3.52 O ATOM 599 CB GLU A 41 -1.979 -8.934 -3.662 1.00 41.43 C ATOM 600 CG GLU A 41 -2.892 -9.378 -2.527 1.00 40.21 C ATOM 601 CD GLU A 41 -2.261 -10.444 -1.644 1.00 33.10 C ATOM 602 OE1 GLU A 41 -2.244 -11.630 -2.056 1.00 1.20 O ATOM 603 OE2 GLU A 41 -1.788 -10.115 -0.541 1.00 12.14 O ATOM 0 H GLU A 41 -0.814 -7.629 -5.599 1.00 4.13 H new ATOM 0 HA GLU A 41 -3.566 -8.604 -5.077 1.00 50.43 H new ATOM 0 HB2 GLU A 41 -1.552 -9.818 -4.136 1.00 41.43 H new ATOM 0 HB3 GLU A 41 -1.149 -8.365 -3.243 1.00 41.43 H new ATOM 0 HG2 GLU A 41 -3.151 -8.513 -1.916 1.00 40.21 H new ATOM 0 HG3 GLU A 41 -3.822 -9.763 -2.945 1.00 40.21 H new ATOM 610 N SER A 42 -4.352 -6.667 -3.654 1.00 23.01 N ATOM 611 CA SER A 42 -4.920 -5.412 -3.138 1.00 65.35 C ATOM 612 C SER A 42 -4.248 -4.975 -1.828 1.00 41.11 C ATOM 613 O SER A 42 -3.777 -5.806 -1.047 1.00 54.35 O ATOM 614 CB SER A 42 -6.435 -5.551 -2.925 1.00 71.02 C ATOM 615 OG SER A 42 -6.736 -6.521 -1.933 1.00 21.03 O ATOM 0 H SER A 42 -4.980 -7.468 -3.590 1.00 23.01 H new ATOM 0 HA SER A 42 -4.730 -4.642 -3.886 1.00 65.35 H new ATOM 0 HB2 SER A 42 -6.852 -4.588 -2.631 1.00 71.02 H new ATOM 0 HB3 SER A 42 -6.911 -5.831 -3.865 1.00 71.02 H new ATOM 0 HG SER A 42 -7.708 -6.584 -1.821 1.00 21.03 H new ATOM 621 N LEU A 43 -4.220 -3.662 -1.590 1.00 30.22 N ATOM 622 CA LEU A 43 -3.558 -3.096 -0.404 1.00 42.43 C ATOM 623 C LEU A 43 -4.032 -3.745 0.909 1.00 63.03 C ATOM 624 O LEU A 43 -3.227 -4.000 1.807 1.00 5.14 O ATOM 625 CB LEU A 43 -3.783 -1.577 -0.345 1.00 24.22 C ATOM 626 CG LEU A 43 -3.087 -0.763 -1.452 1.00 60.30 C ATOM 627 CD1 LEU A 43 -3.417 0.721 -1.324 1.00 64.40 C ATOM 628 CD2 LEU A 43 -1.577 -0.978 -1.407 1.00 14.54 C ATOM 0 H LEU A 43 -4.648 -2.967 -2.202 1.00 30.22 H new ATOM 0 HA LEU A 43 -2.494 -3.310 -0.504 1.00 42.43 H new ATOM 0 HB2 LEU A 43 -4.855 -1.383 -0.394 1.00 24.22 H new ATOM 0 HB3 LEU A 43 -3.437 -1.213 0.622 1.00 24.22 H new ATOM 0 HG LEU A 43 -3.459 -1.114 -2.415 1.00 60.30 H new ATOM 0 HD11 LEU A 43 -2.914 1.275 -2.117 1.00 64.40 H new ATOM 0 HD12 LEU A 43 -4.494 0.863 -1.409 1.00 64.40 H new ATOM 0 HD13 LEU A 43 -3.079 1.087 -0.355 1.00 64.40 H new ATOM 0 HD21 LEU A 43 -1.103 -0.395 -2.196 1.00 14.54 H new ATOM 0 HD22 LEU A 43 -1.193 -0.658 -0.439 1.00 14.54 H new ATOM 0 HD23 LEU A 43 -1.355 -2.035 -1.554 1.00 14.54 H new ATOM 640 N GLU A 44 -5.334 -4.014 1.022 1.00 2.11 N ATOM 641 CA GLU A 44 -5.883 -4.588 2.258 1.00 30.03 C ATOM 642 C GLU A 44 -5.376 -6.021 2.498 1.00 41.21 C ATOM 643 O GLU A 44 -5.009 -6.375 3.619 1.00 2.13 O ATOM 644 CB GLU A 44 -7.420 -4.567 2.244 1.00 60.51 C ATOM 645 CG GLU A 44 -8.045 -5.077 3.543 1.00 52.12 C ATOM 646 CD GLU A 44 -9.556 -4.905 3.595 1.00 20.33 C ATOM 647 OE1 GLU A 44 -10.268 -5.656 2.901 1.00 73.21 O ATOM 648 OE2 GLU A 44 -10.038 -4.021 4.336 1.00 72.21 O ATOM 0 H GLU A 44 -6.021 -3.848 0.287 1.00 2.11 H new ATOM 0 HA GLU A 44 -5.532 -3.964 3.080 1.00 30.03 H new ATOM 0 HB2 GLU A 44 -7.761 -3.548 2.061 1.00 60.51 H new ATOM 0 HB3 GLU A 44 -7.777 -5.176 1.414 1.00 60.51 H new ATOM 0 HG2 GLU A 44 -7.803 -6.133 3.664 1.00 52.12 H new ATOM 0 HG3 GLU A 44 -7.597 -4.549 4.385 1.00 52.12 H new ATOM 655 N GLN A 45 -5.343 -6.838 1.446 1.00 72.30 N ATOM 656 CA GLN A 45 -4.875 -8.227 1.563 1.00 74.24 C ATOM 657 C GLN A 45 -3.409 -8.281 2.028 1.00 73.31 C ATOM 658 O GLN A 45 -3.082 -8.955 3.008 1.00 65.14 O ATOM 659 CB GLN A 45 -5.040 -8.964 0.227 1.00 12.53 C ATOM 660 CG GLN A 45 -6.493 -9.114 -0.219 1.00 24.25 C ATOM 661 CD GLN A 45 -6.636 -9.795 -1.573 1.00 40.03 C ATOM 662 OE1 GLN A 45 -5.825 -10.627 -1.957 1.00 61.43 O ATOM 663 NE2 GLN A 45 -7.677 -9.453 -2.303 1.00 53.34 N ATOM 0 H GLN A 45 -5.632 -6.568 0.506 1.00 72.30 H new ATOM 0 HA GLN A 45 -5.487 -8.725 2.315 1.00 74.24 H new ATOM 0 HB2 GLN A 45 -4.487 -8.428 -0.544 1.00 12.53 H new ATOM 0 HB3 GLN A 45 -4.591 -9.954 0.311 1.00 12.53 H new ATOM 0 HG2 GLN A 45 -7.039 -9.689 0.529 1.00 24.25 H new ATOM 0 HG3 GLN A 45 -6.956 -8.128 -0.264 1.00 24.25 H new ATOM 0 HE21 GLN A 45 -8.336 -8.756 -1.956 1.00 53.34 H new ATOM 0 HE22 GLN A 45 -7.824 -9.885 -3.215 1.00 53.34 H new ATOM 672 N GLY A 46 -2.536 -7.551 1.334 1.00 53.12 N ATOM 673 CA GLY A 46 -1.133 -7.473 1.735 1.00 15.23 C ATOM 674 C GLY A 46 -0.948 -6.907 3.144 1.00 23.44 C ATOM 675 O GLY A 46 -0.051 -7.331 3.882 1.00 40.32 O ATOM 0 H GLY A 46 -2.772 -7.011 0.501 1.00 53.12 H new ATOM 0 HA2 GLY A 46 -0.691 -8.468 1.688 1.00 15.23 H new ATOM 0 HA3 GLY A 46 -0.591 -6.849 1.024 1.00 15.23 H new ATOM 679 N ALA A 47 -1.802 -5.950 3.519 1.00 1.40 N ATOM 680 CA ALA A 47 -1.789 -5.380 4.871 1.00 25.42 C ATOM 681 C ALA A 47 -2.059 -6.460 5.931 1.00 63.13 C ATOM 682 O ALA A 47 -1.249 -6.675 6.833 1.00 43.33 O ATOM 683 CB ALA A 47 -2.818 -4.259 4.980 1.00 44.12 C ATOM 0 H ALA A 47 -2.513 -5.553 2.905 1.00 1.40 H new ATOM 0 HA ALA A 47 -0.797 -4.969 5.056 1.00 25.42 H new ATOM 0 HB1 ALA A 47 -2.799 -3.844 5.988 1.00 44.12 H new ATOM 0 HB2 ALA A 47 -2.580 -3.476 4.260 1.00 44.12 H new ATOM 0 HB3 ALA A 47 -3.811 -4.655 4.770 1.00 44.12 H new ATOM 689 N ASN A 48 -3.197 -7.150 5.808 1.00 73.54 N ATOM 690 CA ASN A 48 -3.540 -8.244 6.728 1.00 11.00 C ATOM 691 C ASN A 48 -2.467 -9.344 6.718 1.00 3.44 C ATOM 692 O ASN A 48 -2.162 -9.934 7.758 1.00 20.13 O ATOM 693 CB ASN A 48 -4.908 -8.845 6.382 1.00 63.14 C ATOM 694 CG ASN A 48 -6.057 -7.903 6.691 1.00 42.34 C ATOM 695 OD1 ASN A 48 -6.535 -7.840 7.817 1.00 11.21 O ATOM 696 ND2 ASN A 48 -6.531 -7.184 5.694 1.00 52.34 N ATOM 0 H ASN A 48 -3.894 -6.973 5.085 1.00 73.54 H new ATOM 0 HA ASN A 48 -3.586 -7.819 7.731 1.00 11.00 H new ATOM 0 HB2 ASN A 48 -4.930 -9.103 5.323 1.00 63.14 H new ATOM 0 HB3 ASN A 48 -5.044 -9.772 6.939 1.00 63.14 H new ATOM 0 HD21 ASN A 48 -7.317 -6.553 5.849 1.00 52.34 H new ATOM 0 HD22 ASN A 48 -6.112 -7.258 4.767 1.00 52.34 H new ATOM 703 N ALA A 49 -1.889 -9.598 5.545 1.00 23.03 N ATOM 704 CA ALA A 49 -0.814 -10.589 5.399 1.00 74.34 C ATOM 705 C ALA A 49 0.383 -10.275 6.314 1.00 30.32 C ATOM 706 O ALA A 49 0.959 -11.173 6.931 1.00 54.44 O ATOM 707 CB ALA A 49 -0.363 -10.665 3.945 1.00 12.43 C ATOM 0 H ALA A 49 -2.146 -9.131 4.676 1.00 23.03 H new ATOM 0 HA ALA A 49 -1.213 -11.557 5.703 1.00 74.34 H new ATOM 0 HB1 ALA A 49 0.434 -11.403 3.849 1.00 12.43 H new ATOM 0 HB2 ALA A 49 -1.205 -10.957 3.318 1.00 12.43 H new ATOM 0 HB3 ALA A 49 0.005 -9.690 3.627 1.00 12.43 H new ATOM 713 N HIS A 50 0.756 -8.997 6.397 1.00 4.23 N ATOM 714 CA HIS A 50 1.855 -8.561 7.278 1.00 53.45 C ATOM 715 C HIS A 50 1.346 -8.171 8.678 1.00 31.23 C ATOM 716 O HIS A 50 2.133 -7.796 9.553 1.00 54.44 O ATOM 717 CB HIS A 50 2.616 -7.384 6.644 1.00 53.24 C ATOM 718 CG HIS A 50 3.481 -7.777 5.478 1.00 34.22 C ATOM 719 ND1 HIS A 50 4.822 -7.465 5.399 1.00 41.35 N ATOM 720 CD2 HIS A 50 3.194 -8.456 4.337 1.00 55.44 C ATOM 721 CE1 HIS A 50 5.320 -7.931 4.271 1.00 54.01 C ATOM 722 NE2 HIS A 50 4.355 -8.539 3.606 1.00 15.31 N ATOM 0 H HIS A 50 0.318 -8.243 5.868 1.00 4.23 H new ATOM 0 HA HIS A 50 2.534 -9.405 7.395 1.00 53.45 H new ATOM 0 HB2 HIS A 50 1.897 -6.634 6.314 1.00 53.24 H new ATOM 0 HB3 HIS A 50 3.240 -6.915 7.405 1.00 53.24 H new ATOM 0 HD1 HIS A 50 5.348 -6.952 6.106 1.00 41.35 H new ATOM 0 HD2 HIS A 50 2.231 -8.857 4.056 1.00 55.44 H new ATOM 0 HE1 HIS A 50 6.345 -7.832 3.946 1.00 54.01 H new ATOM 0 HE2 HIS A 50 4.455 -8.995 2.699 1.00 15.31 H new ATOM 731 N GLY A 51 0.034 -8.274 8.886 1.00 64.34 N ATOM 732 CA GLY A 51 -0.563 -7.899 10.164 1.00 50.21 C ATOM 733 C GLY A 51 -0.619 -6.389 10.370 1.00 31.23 C ATOM 734 O GLY A 51 -0.115 -5.865 11.367 1.00 43.44 O ATOM 0 H GLY A 51 -0.631 -8.612 8.190 1.00 64.34 H new ATOM 0 HA2 GLY A 51 -1.572 -8.307 10.222 1.00 50.21 H new ATOM 0 HA3 GLY A 51 0.010 -8.351 10.974 1.00 50.21 H new ATOM 738 N LEU A 52 -1.232 -5.684 9.423 1.00 53.23 N ATOM 739 CA LEU A 52 -1.316 -4.220 9.466 1.00 34.22 C ATOM 740 C LEU A 52 -2.757 -3.726 9.277 1.00 71.24 C ATOM 741 O LEU A 52 -3.509 -4.259 8.460 1.00 72.42 O ATOM 742 CB LEU A 52 -0.431 -3.614 8.372 1.00 21.31 C ATOM 743 CG LEU A 52 1.069 -3.920 8.491 1.00 3.21 C ATOM 744 CD1 LEU A 52 1.816 -3.405 7.266 1.00 1.23 C ATOM 745 CD2 LEU A 52 1.643 -3.314 9.770 1.00 1.20 C ATOM 0 H LEU A 52 -1.682 -6.103 8.609 1.00 53.23 H new ATOM 0 HA LEU A 52 -0.971 -3.901 10.450 1.00 34.22 H new ATOM 0 HB2 LEU A 52 -0.782 -3.973 7.405 1.00 21.31 H new ATOM 0 HB3 LEU A 52 -0.565 -2.532 8.378 1.00 21.31 H new ATOM 0 HG LEU A 52 1.198 -5.001 8.542 1.00 3.21 H new ATOM 0 HD11 LEU A 52 2.878 -3.630 7.366 1.00 1.23 H new ATOM 0 HD12 LEU A 52 1.425 -3.890 6.371 1.00 1.23 H new ATOM 0 HD13 LEU A 52 1.680 -2.327 7.183 1.00 1.23 H new ATOM 0 HD21 LEU A 52 2.707 -3.542 9.835 1.00 1.20 H new ATOM 0 HD22 LEU A 52 1.504 -2.233 9.755 1.00 1.20 H new ATOM 0 HD23 LEU A 52 1.128 -3.734 10.634 1.00 1.20 H new ATOM 757 N ASN A 53 -3.130 -2.698 10.034 1.00 22.23 N ATOM 758 CA ASN A 53 -4.440 -2.058 9.881 1.00 14.54 C ATOM 759 C ASN A 53 -4.503 -1.236 8.582 1.00 42.54 C ATOM 760 O ASN A 53 -3.958 -0.132 8.501 1.00 33.32 O ATOM 761 CB ASN A 53 -4.735 -1.166 11.095 1.00 72.41 C ATOM 762 CG ASN A 53 -6.045 -0.411 10.969 1.00 63.13 C ATOM 763 OD1 ASN A 53 -6.979 -0.856 10.310 1.00 41.51 O ATOM 764 ND2 ASN A 53 -6.124 0.739 11.603 1.00 23.51 N ATOM 0 H ASN A 53 -2.545 -2.287 10.762 1.00 22.23 H new ATOM 0 HA ASN A 53 -5.199 -2.838 9.823 1.00 14.54 H new ATOM 0 HB2 ASN A 53 -4.762 -1.782 11.994 1.00 72.41 H new ATOM 0 HB3 ASN A 53 -3.921 -0.452 11.221 1.00 72.41 H new ATOM 0 HD21 ASN A 53 -6.981 1.290 11.555 1.00 23.51 H new ATOM 0 HD22 ASN A 53 -5.328 1.080 12.142 1.00 23.51 H new ATOM 771 N VAL A 54 -5.176 -1.786 7.573 1.00 41.34 N ATOM 772 CA VAL A 54 -5.301 -1.133 6.264 1.00 22.33 C ATOM 773 C VAL A 54 -5.822 0.313 6.379 1.00 5.33 C ATOM 774 O VAL A 54 -5.403 1.196 5.626 1.00 52.23 O ATOM 775 CB VAL A 54 -6.231 -1.947 5.324 1.00 63.43 C ATOM 776 CG1 VAL A 54 -7.633 -2.079 5.919 1.00 64.43 C ATOM 777 CG2 VAL A 54 -6.282 -1.321 3.929 1.00 72.11 C ATOM 0 H VAL A 54 -5.647 -2.688 7.635 1.00 41.34 H new ATOM 0 HA VAL A 54 -4.298 -1.097 5.839 1.00 22.33 H new ATOM 0 HB VAL A 54 -5.815 -2.950 5.226 1.00 63.43 H new ATOM 0 HG11 VAL A 54 -8.264 -2.653 5.240 1.00 64.43 H new ATOM 0 HG12 VAL A 54 -7.574 -2.590 6.880 1.00 64.43 H new ATOM 0 HG13 VAL A 54 -8.063 -1.087 6.062 1.00 64.43 H new ATOM 0 HG21 VAL A 54 -6.940 -1.910 3.290 1.00 72.11 H new ATOM 0 HG22 VAL A 54 -6.663 -0.302 4.001 1.00 72.11 H new ATOM 0 HG23 VAL A 54 -5.280 -1.304 3.501 1.00 72.11 H new ATOM 787 N GLU A 55 -6.718 0.552 7.337 1.00 55.13 N ATOM 788 CA GLU A 55 -7.298 1.884 7.545 1.00 72.24 C ATOM 789 C GLU A 55 -6.224 2.919 7.914 1.00 42.51 C ATOM 790 O GLU A 55 -6.290 4.075 7.487 1.00 55.11 O ATOM 791 CB GLU A 55 -8.372 1.832 8.641 1.00 43.43 C ATOM 792 CG GLU A 55 -9.547 0.919 8.310 1.00 33.10 C ATOM 793 CD GLU A 55 -10.290 1.344 7.051 1.00 54.34 C ATOM 794 OE1 GLU A 55 -11.116 2.281 7.127 1.00 53.11 O ATOM 795 OE2 GLU A 55 -10.053 0.744 5.983 1.00 12.33 O ATOM 0 H GLU A 55 -7.060 -0.159 7.983 1.00 55.13 H new ATOM 0 HA GLU A 55 -7.755 2.194 6.605 1.00 72.24 H new ATOM 0 HB2 GLU A 55 -7.913 1.495 9.570 1.00 43.43 H new ATOM 0 HB3 GLU A 55 -8.746 2.840 8.818 1.00 43.43 H new ATOM 0 HG2 GLU A 55 -9.184 -0.101 8.185 1.00 33.10 H new ATOM 0 HG3 GLU A 55 -10.241 0.910 9.150 1.00 33.10 H new ATOM 802 N ASP A 56 -5.231 2.498 8.695 1.00 4.30 N ATOM 803 CA ASP A 56 -4.147 3.390 9.111 1.00 70.42 C ATOM 804 C ASP A 56 -3.189 3.669 7.936 1.00 21.54 C ATOM 805 O ASP A 56 -2.628 4.761 7.819 1.00 32.51 O ATOM 806 CB ASP A 56 -3.387 2.773 10.294 1.00 45.03 C ATOM 807 CG ASP A 56 -2.483 3.775 10.993 1.00 30.25 C ATOM 808 OD1 ASP A 56 -2.996 4.570 11.809 1.00 1.34 O ATOM 809 OD2 ASP A 56 -1.264 3.778 10.731 1.00 41.21 O ATOM 0 H ASP A 56 -5.153 1.546 9.053 1.00 4.30 H new ATOM 0 HA ASP A 56 -4.578 4.340 9.427 1.00 70.42 H new ATOM 0 HB2 ASP A 56 -4.103 2.372 11.012 1.00 45.03 H new ATOM 0 HB3 ASP A 56 -2.788 1.934 9.939 1.00 45.03 H new ATOM 814 N ILE A 57 -3.032 2.676 7.057 1.00 64.41 N ATOM 815 CA ILE A 57 -2.173 2.809 5.872 1.00 63.23 C ATOM 816 C ILE A 57 -2.784 3.780 4.842 1.00 31.34 C ATOM 817 O ILE A 57 -2.154 4.766 4.450 1.00 13.40 O ATOM 818 CB ILE A 57 -1.941 1.434 5.193 1.00 11.24 C ATOM 819 CG1 ILE A 57 -1.371 0.420 6.202 1.00 11.41 C ATOM 820 CG2 ILE A 57 -1.015 1.575 3.986 1.00 1.31 C ATOM 821 CD1 ILE A 57 -1.144 -0.963 5.621 1.00 74.22 C ATOM 0 H ILE A 57 -3.489 1.768 7.142 1.00 64.41 H new ATOM 0 HA ILE A 57 -1.219 3.208 6.216 1.00 63.23 H new ATOM 0 HB ILE A 57 -2.903 1.061 4.840 1.00 11.24 H new ATOM 0 HG12 ILE A 57 -0.426 0.800 6.590 1.00 11.41 H new ATOM 0 HG13 ILE A 57 -2.054 0.341 7.048 1.00 11.41 H new ATOM 0 HG21 ILE A 57 -0.866 0.598 3.525 1.00 1.31 H new ATOM 0 HG22 ILE A 57 -1.464 2.254 3.261 1.00 1.31 H new ATOM 0 HG23 ILE A 57 -0.054 1.974 4.310 1.00 1.31 H new ATOM 0 HD11 ILE A 57 -0.742 -1.620 6.392 1.00 74.22 H new ATOM 0 HD12 ILE A 57 -2.090 -1.365 5.259 1.00 74.22 H new ATOM 0 HD13 ILE A 57 -0.437 -0.899 4.794 1.00 74.22 H new ATOM 833 N LEU A 58 -4.028 3.510 4.430 1.00 74.14 N ATOM 834 CA LEU A 58 -4.734 4.363 3.456 1.00 1.34 C ATOM 835 C LEU A 58 -4.792 5.818 3.940 1.00 31.22 C ATOM 836 O LEU A 58 -4.707 6.758 3.146 1.00 65.13 O ATOM 837 CB LEU A 58 -6.157 3.838 3.213 1.00 53.35 C ATOM 838 CG LEU A 58 -6.249 2.399 2.685 1.00 33.12 C ATOM 839 CD1 LEU A 58 -7.703 1.998 2.463 1.00 74.22 C ATOM 840 CD2 LEU A 58 -5.439 2.239 1.402 1.00 21.52 C ATOM 0 H LEU A 58 -4.570 2.709 4.753 1.00 74.14 H new ATOM 0 HA LEU A 58 -4.178 4.331 2.519 1.00 1.34 H new ATOM 0 HB2 LEU A 58 -6.713 3.900 4.149 1.00 53.35 H new ATOM 0 HB3 LEU A 58 -6.653 4.500 2.503 1.00 53.35 H new ATOM 0 HG LEU A 58 -5.825 1.733 3.437 1.00 33.12 H new ATOM 0 HD11 LEU A 58 -7.745 0.975 2.089 1.00 74.22 H new ATOM 0 HD12 LEU A 58 -8.246 2.062 3.406 1.00 74.22 H new ATOM 0 HD13 LEU A 58 -8.159 2.670 1.735 1.00 74.22 H new ATOM 0 HD21 LEU A 58 -5.519 1.212 1.047 1.00 21.52 H new ATOM 0 HD22 LEU A 58 -5.825 2.917 0.641 1.00 21.52 H new ATOM 0 HD23 LEU A 58 -4.393 2.474 1.600 1.00 21.52 H new ATOM 852 N ARG A 59 -4.932 5.982 5.251 1.00 15.52 N ATOM 853 CA ARG A 59 -4.902 7.293 5.902 1.00 34.20 C ATOM 854 C ARG A 59 -3.656 8.105 5.491 1.00 34.52 C ATOM 855 O ARG A 59 -3.765 9.231 5.000 1.00 3.21 O ATOM 856 CB ARG A 59 -4.909 7.081 7.422 1.00 44.21 C ATOM 857 CG ARG A 59 -4.628 8.332 8.252 1.00 61.01 C ATOM 858 CD ARG A 59 -3.976 7.970 9.582 1.00 15.12 C ATOM 859 NE ARG A 59 -2.743 7.205 9.375 1.00 13.42 N ATOM 860 CZ ARG A 59 -1.573 7.549 9.832 1.00 1.50 C ATOM 861 NH1 ARG A 59 -1.438 8.597 10.582 1.00 53.13 N ATOM 862 NH2 ARG A 59 -0.536 6.834 9.548 1.00 73.50 N ATOM 0 H ARG A 59 -5.071 5.206 5.899 1.00 15.52 H new ATOM 0 HA ARG A 59 -5.778 7.861 5.589 1.00 34.20 H new ATOM 0 HB2 ARG A 59 -5.880 6.681 7.713 1.00 44.21 H new ATOM 0 HB3 ARG A 59 -4.165 6.324 7.671 1.00 44.21 H new ATOM 0 HG2 ARG A 59 -3.976 9.004 7.694 1.00 61.01 H new ATOM 0 HG3 ARG A 59 -5.559 8.869 8.433 1.00 61.01 H new ATOM 0 HD2 ARG A 59 -3.754 8.879 10.141 1.00 15.12 H new ATOM 0 HD3 ARG A 59 -4.672 7.387 10.185 1.00 15.12 H new ATOM 0 HE ARG A 59 -2.806 6.342 8.835 1.00 13.42 H new ATOM 0 HH11 ARG A 59 -2.253 9.162 10.820 1.00 53.13 H new ATOM 0 HH12 ARG A 59 -0.517 8.857 10.934 1.00 53.13 H new ATOM 0 HH21 ARG A 59 -0.634 6.002 8.967 1.00 73.50 H new ATOM 0 HH22 ARG A 59 0.381 7.102 9.905 1.00 73.50 H new ATOM 876 N ASP A 60 -2.473 7.523 5.695 1.00 62.13 N ATOM 877 CA ASP A 60 -1.210 8.211 5.394 1.00 75.21 C ATOM 878 C ASP A 60 -0.977 8.310 3.869 1.00 4.03 C ATOM 879 O ASP A 60 -0.417 9.290 3.376 1.00 3.25 O ATOM 880 CB ASP A 60 -0.044 7.484 6.085 1.00 14.23 C ATOM 881 CG ASP A 60 1.138 8.403 6.366 1.00 62.11 C ATOM 882 OD1 ASP A 60 1.036 9.244 7.291 1.00 62.45 O ATOM 883 OD2 ASP A 60 2.175 8.289 5.681 1.00 32.15 O ATOM 0 H ASP A 60 -2.360 6.580 6.066 1.00 62.13 H new ATOM 0 HA ASP A 60 -1.267 9.229 5.780 1.00 75.21 H new ATOM 0 HB2 ASP A 60 -0.395 7.053 7.023 1.00 14.23 H new ATOM 0 HB3 ASP A 60 0.286 6.656 5.457 1.00 14.23 H new ATOM 888 N LEU A 61 -1.435 7.298 3.124 1.00 13.31 N ATOM 889 CA LEU A 61 -1.304 7.286 1.656 1.00 22.02 C ATOM 890 C LEU A 61 -2.067 8.450 1.001 1.00 23.11 C ATOM 891 O LEU A 61 -1.508 9.193 0.195 1.00 74.20 O ATOM 892 CB LEU A 61 -1.794 5.951 1.073 1.00 43.42 C ATOM 893 CG LEU A 61 -0.973 4.714 1.474 1.00 24.03 C ATOM 894 CD1 LEU A 61 -1.548 3.454 0.831 1.00 72.32 C ATOM 895 CD2 LEU A 61 0.498 4.898 1.096 1.00 10.44 C ATOM 0 H LEU A 61 -1.900 6.476 3.509 1.00 13.31 H new ATOM 0 HA LEU A 61 -0.244 7.408 1.432 1.00 22.02 H new ATOM 0 HB2 LEU A 61 -2.827 5.796 1.383 1.00 43.42 H new ATOM 0 HB3 LEU A 61 -1.796 6.028 -0.014 1.00 43.42 H new ATOM 0 HG LEU A 61 -1.033 4.598 2.556 1.00 24.03 H new ATOM 0 HD11 LEU A 61 -0.953 2.590 1.127 1.00 72.32 H new ATOM 0 HD12 LEU A 61 -2.578 3.315 1.160 1.00 72.32 H new ATOM 0 HD13 LEU A 61 -1.524 3.556 -0.254 1.00 72.32 H new ATOM 0 HD21 LEU A 61 1.062 4.012 1.388 1.00 10.44 H new ATOM 0 HD22 LEU A 61 0.582 5.043 0.019 1.00 10.44 H new ATOM 0 HD23 LEU A 61 0.900 5.770 1.612 1.00 10.44 H new ATOM 907 N ASN A 62 -3.347 8.612 1.345 1.00 1.11 N ATOM 908 CA ASN A 62 -4.146 9.725 0.811 1.00 63.20 C ATOM 909 C ASN A 62 -3.619 11.078 1.317 1.00 32.25 C ATOM 910 O ASN A 62 -3.794 12.109 0.662 1.00 45.21 O ATOM 911 CB ASN A 62 -5.632 9.556 1.160 1.00 52.50 C ATOM 912 CG ASN A 62 -6.289 8.437 0.363 1.00 41.20 C ATOM 913 OD1 ASN A 62 -6.770 8.644 -0.748 1.00 5.14 O ATOM 914 ND2 ASN A 62 -6.319 7.245 0.921 1.00 52.34 N ATOM 0 H ASN A 62 -3.851 7.996 1.983 1.00 1.11 H new ATOM 0 HA ASN A 62 -4.050 9.710 -0.275 1.00 63.20 H new ATOM 0 HB2 ASN A 62 -5.731 9.347 2.225 1.00 52.50 H new ATOM 0 HB3 ASN A 62 -6.157 10.492 0.968 1.00 52.50 H new ATOM 0 HD21 ASN A 62 -6.750 6.462 0.429 1.00 52.34 H new ATOM 0 HD22 ASN A 62 -5.911 7.104 1.845 1.00 52.34 H new ATOM 921 N ALA A 63 -2.956 11.068 2.475 1.00 74.32 N ATOM 922 CA ALA A 63 -2.323 12.276 3.016 1.00 22.32 C ATOM 923 C ALA A 63 -1.253 12.823 2.054 1.00 54.22 C ATOM 924 O ALA A 63 -1.047 14.033 1.966 1.00 72.04 O ATOM 925 CB ALA A 63 -1.713 11.994 4.385 1.00 10.35 C ATOM 0 H ALA A 63 -2.843 10.238 3.057 1.00 74.32 H new ATOM 0 HA ALA A 63 -3.096 13.036 3.128 1.00 22.32 H new ATOM 0 HB1 ALA A 63 -1.248 12.902 4.770 1.00 10.35 H new ATOM 0 HB2 ALA A 63 -2.494 11.667 5.071 1.00 10.35 H new ATOM 0 HB3 ALA A 63 -0.960 11.211 4.294 1.00 10.35 H new ATOM 931 N LEU A 64 -0.581 11.923 1.332 1.00 5.55 N ATOM 932 CA LEU A 64 0.404 12.317 0.312 1.00 1.22 C ATOM 933 C LEU A 64 -0.240 13.200 -0.771 1.00 63.54 C ATOM 934 O LEU A 64 0.390 14.116 -1.310 1.00 75.24 O ATOM 935 CB LEU A 64 1.015 11.070 -0.346 1.00 51.05 C ATOM 936 CG LEU A 64 1.747 10.107 0.607 1.00 33.31 C ATOM 937 CD1 LEU A 64 2.195 8.848 -0.135 1.00 22.33 C ATOM 938 CD2 LEU A 64 2.940 10.797 1.268 1.00 11.52 C ATOM 0 H LEU A 64 -0.699 10.915 1.432 1.00 5.55 H new ATOM 0 HA LEU A 64 1.186 12.890 0.810 1.00 1.22 H new ATOM 0 HB2 LEU A 64 0.220 10.520 -0.849 1.00 51.05 H new ATOM 0 HB3 LEU A 64 1.716 11.394 -1.116 1.00 51.05 H new ATOM 0 HG LEU A 64 1.049 9.812 1.391 1.00 33.31 H new ATOM 0 HD11 LEU A 64 2.710 8.182 0.557 1.00 22.33 H new ATOM 0 HD12 LEU A 64 1.324 8.340 -0.548 1.00 22.33 H new ATOM 0 HD13 LEU A 64 2.871 9.124 -0.944 1.00 22.33 H new ATOM 0 HD21 LEU A 64 3.441 10.097 1.936 1.00 11.52 H new ATOM 0 HD22 LEU A 64 3.639 11.129 0.501 1.00 11.52 H new ATOM 0 HD23 LEU A 64 2.592 11.658 1.839 1.00 11.52 H new ATOM 950 N ALA A 65 -1.500 12.911 -1.086 1.00 74.14 N ATOM 951 CA ALA A 65 -2.253 13.675 -2.084 1.00 72.11 C ATOM 952 C ALA A 65 -2.765 15.004 -1.505 1.00 72.52 C ATOM 953 O ALA A 65 -2.848 16.012 -2.209 1.00 75.15 O ATOM 954 CB ALA A 65 -3.416 12.841 -2.616 1.00 41.01 C ATOM 0 H ALA A 65 -2.027 12.147 -0.662 1.00 74.14 H new ATOM 0 HA ALA A 65 -1.579 13.911 -2.907 1.00 72.11 H new ATOM 0 HB1 ALA A 65 -3.969 13.418 -3.357 1.00 41.01 H new ATOM 0 HB2 ALA A 65 -3.031 11.932 -3.078 1.00 41.01 H new ATOM 0 HB3 ALA A 65 -4.080 12.576 -1.793 1.00 41.01 H new ATOM 960 N LEU A 66 -3.102 14.992 -0.217 1.00 54.13 N ATOM 961 CA LEU A 66 -3.612 16.189 0.468 1.00 2.32 C ATOM 962 C LEU A 66 -2.474 17.082 0.999 1.00 23.41 C ATOM 963 O LEU A 66 -2.702 18.238 1.356 1.00 53.14 O ATOM 964 CB LEU A 66 -4.532 15.777 1.627 1.00 13.42 C ATOM 965 CG LEU A 66 -5.758 14.938 1.225 1.00 43.22 C ATOM 966 CD1 LEU A 66 -6.573 14.541 2.455 1.00 65.14 C ATOM 967 CD2 LEU A 66 -6.626 15.694 0.218 1.00 23.42 C ATOM 0 H LEU A 66 -3.033 14.167 0.379 1.00 54.13 H new ATOM 0 HA LEU A 66 -4.174 16.770 -0.264 1.00 2.32 H new ATOM 0 HB2 LEU A 66 -3.946 15.211 2.351 1.00 13.42 H new ATOM 0 HB3 LEU A 66 -4.879 16.678 2.132 1.00 13.42 H new ATOM 0 HG LEU A 66 -5.402 14.025 0.748 1.00 43.22 H new ATOM 0 HD11 LEU A 66 -7.434 13.949 2.145 1.00 65.14 H new ATOM 0 HD12 LEU A 66 -5.951 13.952 3.129 1.00 65.14 H new ATOM 0 HD13 LEU A 66 -6.916 15.439 2.969 1.00 65.14 H new ATOM 0 HD21 LEU A 66 -7.487 15.082 -0.052 1.00 23.42 H new ATOM 0 HD22 LEU A 66 -6.970 16.628 0.663 1.00 23.42 H new ATOM 0 HD23 LEU A 66 -6.041 15.912 -0.676 1.00 23.42 H new ATOM 979 N GLU A 67 -1.261 16.531 1.059 1.00 61.51 N ATOM 980 CA GLU A 67 -0.067 17.263 1.527 1.00 23.13 C ATOM 981 C GLU A 67 -0.226 17.763 2.979 1.00 2.34 C ATOM 982 O GLU A 67 0.291 17.143 3.908 1.00 3.02 O ATOM 983 CB GLU A 67 0.253 18.440 0.590 1.00 52.52 C ATOM 984 CG GLU A 67 0.455 18.035 -0.866 1.00 4.14 C ATOM 985 CD GLU A 67 0.671 19.232 -1.780 1.00 11.45 C ATOM 986 OE1 GLU A 67 -0.327 19.883 -2.158 1.00 4.10 O ATOM 987 OE2 GLU A 67 1.836 19.528 -2.121 1.00 75.31 O ATOM 0 H GLU A 67 -1.071 15.567 0.787 1.00 61.51 H new ATOM 0 HA GLU A 67 0.766 16.560 1.510 1.00 23.13 H new ATOM 0 HB2 GLU A 67 -0.558 19.166 0.645 1.00 52.52 H new ATOM 0 HB3 GLU A 67 1.154 18.940 0.946 1.00 52.52 H new ATOM 0 HG2 GLU A 67 1.314 17.367 -0.938 1.00 4.14 H new ATOM 0 HG3 GLU A 67 -0.415 17.474 -1.207 1.00 4.14 H new ATOM 994 N HIS A 68 -0.952 18.879 3.144 1.00 55.34 N ATOM 995 CA HIS A 68 -1.259 19.500 4.452 1.00 1.43 C ATOM 996 C HIS A 68 -0.034 19.657 5.386 1.00 72.30 C ATOM 997 O HIS A 68 0.555 18.682 5.855 1.00 4.21 O ATOM 998 CB HIS A 68 -2.402 18.751 5.169 1.00 73.25 C ATOM 999 CG HIS A 68 -2.041 17.402 5.723 1.00 21.30 C ATOM 1000 ND1 HIS A 68 -1.415 17.233 6.940 1.00 1.11 N ATOM 1001 CD2 HIS A 68 -2.240 16.152 5.235 1.00 64.01 C ATOM 1002 CE1 HIS A 68 -1.245 15.950 7.174 1.00 41.54 C ATOM 1003 NE2 HIS A 68 -1.736 15.269 6.159 1.00 3.32 N ATOM 0 H HIS A 68 -1.353 19.390 2.358 1.00 55.34 H new ATOM 0 HA HIS A 68 -1.584 20.514 4.220 1.00 1.43 H new ATOM 0 HB2 HIS A 68 -2.766 19.375 5.985 1.00 73.25 H new ATOM 0 HB3 HIS A 68 -3.228 18.628 4.469 1.00 73.25 H new ATOM 0 HD1 HIS A 68 -1.128 17.988 7.563 1.00 1.11 H new ATOM 0 HD2 HIS A 68 -2.708 15.898 4.295 1.00 64.01 H new ATOM 0 HE1 HIS A 68 -0.780 15.526 8.052 1.00 41.54 H new ATOM 1012 N HIS A 69 0.331 20.904 5.672 1.00 60.41 N ATOM 1013 CA HIS A 69 1.414 21.197 6.619 1.00 64.33 C ATOM 1014 C HIS A 69 1.172 22.541 7.319 1.00 2.42 C ATOM 1015 O HIS A 69 0.572 23.449 6.743 1.00 44.10 O ATOM 1016 CB HIS A 69 2.774 21.205 5.908 1.00 54.10 C ATOM 1017 CG HIS A 69 2.968 22.363 4.974 1.00 54.41 C ATOM 1018 ND1 HIS A 69 3.759 23.454 5.275 1.00 14.10 N ATOM 1019 CD2 HIS A 69 2.470 22.597 3.734 1.00 5.34 C ATOM 1020 CE1 HIS A 69 3.737 24.303 4.267 1.00 41.22 C ATOM 1021 NE2 HIS A 69 2.963 23.807 3.320 1.00 11.35 N ATOM 0 H HIS A 69 -0.105 21.731 5.264 1.00 60.41 H new ATOM 0 HA HIS A 69 1.425 20.410 7.373 1.00 64.33 H new ATOM 0 HB2 HIS A 69 3.565 21.220 6.658 1.00 54.10 H new ATOM 0 HB3 HIS A 69 2.885 20.277 5.347 1.00 54.10 H new ATOM 0 HD2 HIS A 69 1.808 21.950 3.177 1.00 5.34 H new ATOM 0 HE1 HIS A 69 4.263 25.245 4.223 1.00 41.22 H new ATOM 0 HE2 HIS A 69 2.764 24.252 2.424 1.00 11.35 H new ATOM 1030 N HIS A 70 1.639 22.660 8.558 1.00 44.22 N ATOM 1031 CA HIS A 70 1.446 23.888 9.338 1.00 44.24 C ATOM 1032 C HIS A 70 2.219 25.079 8.739 1.00 32.31 C ATOM 1033 O HIS A 70 3.293 24.911 8.158 1.00 5.33 O ATOM 1034 CB HIS A 70 1.870 23.674 10.800 1.00 72.24 C ATOM 1035 CG HIS A 70 3.329 23.373 10.981 1.00 32.22 C ATOM 1036 ND1 HIS A 70 4.274 24.343 11.247 1.00 34.41 N ATOM 1037 CD2 HIS A 70 4.005 22.200 10.944 1.00 41.52 C ATOM 1038 CE1 HIS A 70 5.460 23.780 11.364 1.00 23.21 C ATOM 1039 NE2 HIS A 70 5.324 22.481 11.186 1.00 33.35 N ATOM 0 H HIS A 70 2.153 21.926 9.046 1.00 44.22 H new ATOM 0 HA HIS A 70 0.383 24.126 9.302 1.00 44.24 H new ATOM 0 HB2 HIS A 70 1.621 24.567 11.373 1.00 72.24 H new ATOM 0 HB3 HIS A 70 1.287 22.854 11.219 1.00 72.24 H new ATOM 0 HD2 HIS A 70 3.582 21.224 10.758 1.00 41.52 H new ATOM 0 HE1 HIS A 70 6.386 24.296 11.571 1.00 23.21 H new ATOM 0 HE2 HIS A 70 6.079 21.796 11.223 1.00 33.35 H new ATOM 1048 N HIS A 71 1.656 26.276 8.887 1.00 40.42 N ATOM 1049 CA HIS A 71 2.297 27.512 8.423 1.00 12.34 C ATOM 1050 C HIS A 71 3.607 27.797 9.176 1.00 74.21 C ATOM 1051 O HIS A 71 3.727 27.514 10.369 1.00 61.31 O ATOM 1052 CB HIS A 71 1.328 28.695 8.596 1.00 54.14 C ATOM 1053 CG HIS A 71 1.946 30.043 8.348 1.00 73.23 C ATOM 1054 ND1 HIS A 71 2.038 30.618 7.099 1.00 72.13 N ATOM 1055 CD2 HIS A 71 2.514 30.932 9.204 1.00 34.32 C ATOM 1056 CE1 HIS A 71 2.631 31.790 7.194 1.00 24.41 C ATOM 1057 NE2 HIS A 71 2.931 32.005 8.457 1.00 11.24 N ATOM 0 H HIS A 71 0.748 26.420 9.329 1.00 40.42 H new ATOM 0 HA HIS A 71 2.543 27.384 7.369 1.00 12.34 H new ATOM 0 HB2 HIS A 71 0.487 28.563 7.915 1.00 54.14 H new ATOM 0 HB3 HIS A 71 0.925 28.674 9.608 1.00 54.14 H new ATOM 0 HD2 HIS A 71 2.618 30.816 10.273 1.00 34.32 H new ATOM 0 HE1 HIS A 71 2.836 32.462 6.374 1.00 24.41 H new ATOM 0 HE2 HIS A 71 3.398 32.835 8.822 1.00 11.24 H new ATOM 1066 N HIS A 72 4.585 28.361 8.470 1.00 4.04 N ATOM 1067 CA HIS A 72 5.852 28.769 9.084 1.00 40.21 C ATOM 1068 C HIS A 72 6.283 30.157 8.580 1.00 2.50 C ATOM 1069 O HIS A 72 6.252 30.431 7.380 1.00 32.21 O ATOM 1070 CB HIS A 72 6.946 27.732 8.791 1.00 10.45 C ATOM 1071 CG HIS A 72 8.247 28.019 9.483 1.00 43.12 C ATOM 1072 ND1 HIS A 72 8.500 27.654 10.787 1.00 4.43 N ATOM 1073 CD2 HIS A 72 9.367 28.648 9.049 1.00 14.20 C ATOM 1074 CE1 HIS A 72 9.712 28.046 11.126 1.00 61.24 C ATOM 1075 NE2 HIS A 72 10.259 28.649 10.091 1.00 54.41 N ATOM 0 H HIS A 72 4.526 28.547 7.469 1.00 4.04 H new ATOM 0 HA HIS A 72 5.704 28.828 10.162 1.00 40.21 H new ATOM 0 HB2 HIS A 72 6.592 26.747 9.095 1.00 10.45 H new ATOM 0 HB3 HIS A 72 7.117 27.691 7.715 1.00 10.45 H new ATOM 0 HD2 HIS A 72 9.527 29.069 8.067 1.00 14.20 H new ATOM 0 HE1 HIS A 72 10.177 27.898 12.089 1.00 61.24 H new ATOM 0 HE2 HIS A 72 11.196 29.052 10.068 1.00 54.41 H new ATOM 1084 N HIS A 73 6.673 31.026 9.511 1.00 22.30 N ATOM 1085 CA HIS A 73 7.127 32.384 9.177 1.00 32.20 C ATOM 1086 C HIS A 73 8.560 32.377 8.606 1.00 14.21 C ATOM 1087 O HIS A 73 8.715 32.430 7.367 1.00 36.67 O ATOM 1088 CB HIS A 73 7.058 33.275 10.427 1.00 12.50 C ATOM 1089 CG HIS A 73 7.449 34.704 10.186 1.00 20.50 C ATOM 1090 ND1 HIS A 73 8.702 35.202 10.475 1.00 52.14 N ATOM 1091 CD2 HIS A 73 6.743 35.746 9.691 1.00 23.14 C ATOM 1092 CE1 HIS A 73 8.747 36.482 10.172 1.00 52.54 C ATOM 1093 NE2 HIS A 73 7.574 36.840 9.693 1.00 3.21 N ATOM 1094 OXT HIS A 73 9.523 32.315 9.401 1.00 36.67 O ATOM 0 H HIS A 73 6.685 30.817 10.509 1.00 22.30 H new ATOM 0 HA HIS A 73 6.467 32.784 8.407 1.00 32.20 H new ATOM 0 HB2 HIS A 73 6.042 33.250 10.822 1.00 12.50 H new ATOM 0 HB3 HIS A 73 7.709 32.856 11.194 1.00 12.50 H new ATOM 0 HD2 HIS A 73 5.716 35.722 9.356 1.00 23.14 H new ATOM 0 HE1 HIS A 73 9.602 37.130 10.296 1.00 52.54 H new ATOM 0 HE2 HIS A 73 7.323 37.776 9.375 1.00 3.21 H new TER 1103 HIS A 73