USER MOD reduce.3.24.130724 H: found=0, std=0, add=610, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 610 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 26 MET CE :methyl 168:sc= -4.96! (180deg=-5.27!) USER MOD Set 1.2: A 54 THR OG1 : rot 180:sc= -0.296 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot -79:sc= 0.191 USER MOD Single : A 19 ASN : amide:sc= -0.396 X(o=-0.4,f=-0.71) USER MOD Single : A 21 TYR OH : rot -50:sc= 1.4 USER MOD Single : A 23 GLN : amide:sc= -0.0474 X(o=-0.047,f=-0.049) USER MOD Single : A 35 THR OG1 : rot 180:sc= -1.72 USER MOD Single : A 48 GLN : amide:sc= -0.784 K(o=-0.78,f=-4.4!) USER MOD Single : A 60 THR OG1 : rot -77:sc= 0.156 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 TYR OH : rot -6:sc= 1.3 USER MOD Single : A 74 THR OG1 : rot -35:sc= -7.1! USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 HIS : no HE2:sc= -2.11 K(o=-2.1,f=-8.5!) USER MOD Single : A 94 THR OG1 : rot -91:sc= -2.59 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 11 0.633 -0.907 -0.630 1.00 15.11 N ATOM 2 CA ASP A 11 1.437 -0.963 -1.845 1.00 70.30 C ATOM 3 C ASP A 11 1.158 -2.246 -2.623 1.00 14.34 C ATOM 4 O ASP A 11 1.144 -2.247 -3.854 1.00 4.32 O ATOM 5 CB ASP A 11 2.925 -0.874 -1.502 1.00 32.12 C ATOM 6 CG ASP A 11 3.808 -0.955 -2.731 1.00 64.40 C ATOM 7 OD1 ASP A 11 4.167 -2.083 -3.131 1.00 21.12 O ATOM 8 OD2 ASP A 11 4.140 0.109 -3.294 1.00 25.52 O ATOM 0 HA ASP A 11 1.165 -0.113 -2.471 1.00 70.30 H new ATOM 0 HB2 ASP A 11 3.119 0.063 -0.980 1.00 32.12 H new ATOM 0 HB3 ASP A 11 3.186 -1.681 -0.817 1.00 32.12 H new ATOM 13 N TYR A 12 0.936 -3.335 -1.896 1.00 60.42 N ATOM 14 CA TYR A 12 0.661 -4.625 -2.518 1.00 35.33 C ATOM 15 C TYR A 12 -0.687 -4.609 -3.233 1.00 41.31 C ATOM 16 O TYR A 12 -0.847 -5.214 -4.293 1.00 71.10 O ATOM 17 CB TYR A 12 0.679 -5.736 -1.466 1.00 55.01 C ATOM 18 CG TYR A 12 2.006 -5.875 -0.755 1.00 73.32 C ATOM 19 CD1 TYR A 12 3.076 -6.521 -1.361 1.00 62.35 C ATOM 20 CD2 TYR A 12 2.189 -5.362 0.523 1.00 61.12 C ATOM 21 CE1 TYR A 12 4.290 -6.652 -0.716 1.00 5.33 C ATOM 22 CE2 TYR A 12 3.400 -5.487 1.176 1.00 41.55 C ATOM 23 CZ TYR A 12 4.448 -6.132 0.552 1.00 34.34 C ATOM 24 OH TYR A 12 5.655 -6.260 1.200 1.00 42.52 O ATOM 0 H TYR A 12 0.941 -3.351 -0.876 1.00 60.42 H new ATOM 0 HA TYR A 12 1.441 -4.818 -3.255 1.00 35.33 H new ATOM 0 HB2 TYR A 12 -0.100 -5.540 -0.729 1.00 55.01 H new ATOM 0 HB3 TYR A 12 0.432 -6.683 -1.946 1.00 55.01 H new ATOM 0 HD1 TYR A 12 2.956 -6.928 -2.354 1.00 62.35 H new ATOM 0 HD2 TYR A 12 1.371 -4.857 1.014 1.00 61.12 H new ATOM 0 HE1 TYR A 12 5.111 -7.159 -1.201 1.00 5.33 H new ATOM 0 HE2 TYR A 12 3.526 -5.082 2.169 1.00 41.55 H new ATOM 0 HH TYR A 12 5.599 -5.838 2.083 1.00 42.52 H new ATOM 34 N ASP A 13 -1.652 -3.911 -2.646 1.00 14.44 N ATOM 35 CA ASP A 13 -2.987 -3.812 -3.226 1.00 65.32 C ATOM 36 C ASP A 13 -2.952 -3.035 -4.539 1.00 31.53 C ATOM 37 O ASP A 13 -1.887 -2.832 -5.123 1.00 13.44 O ATOM 38 CB ASP A 13 -3.945 -3.136 -2.244 1.00 62.52 C ATOM 39 CG ASP A 13 -5.339 -3.729 -2.295 1.00 71.41 C ATOM 40 OD1 ASP A 13 -5.461 -4.932 -2.609 1.00 0.23 O ATOM 41 OD2 ASP A 13 -6.309 -2.991 -2.022 1.00 43.20 O ATOM 0 H ASP A 13 -1.535 -3.405 -1.768 1.00 14.44 H new ATOM 0 HA ASP A 13 -3.343 -4.822 -3.431 1.00 65.32 H new ATOM 0 HB2 ASP A 13 -3.550 -3.230 -1.232 1.00 62.52 H new ATOM 0 HB3 ASP A 13 -3.998 -2.071 -2.468 1.00 62.52 H new ATOM 46 N ILE A 14 -4.123 -2.606 -4.997 1.00 1.22 N ATOM 47 CA ILE A 14 -4.226 -1.852 -6.240 1.00 11.20 C ATOM 48 C ILE A 14 -3.808 -0.399 -6.038 1.00 63.44 C ATOM 49 O ILE A 14 -4.270 0.285 -5.125 1.00 71.31 O ATOM 50 CB ILE A 14 -5.659 -1.888 -6.803 1.00 71.11 C ATOM 51 CG1 ILE A 14 -5.993 -3.290 -7.318 1.00 43.31 C ATOM 52 CG2 ILE A 14 -5.819 -0.859 -7.912 1.00 3.42 C ATOM 53 CD1 ILE A 14 -5.171 -3.704 -8.518 1.00 65.13 C ATOM 0 H ILE A 14 -5.013 -2.768 -4.526 1.00 1.22 H new ATOM 0 HA ILE A 14 -3.552 -2.326 -6.953 1.00 11.20 H new ATOM 0 HB ILE A 14 -6.355 -1.640 -6.001 1.00 71.11 H new ATOM 0 HG12 ILE A 14 -5.837 -4.010 -6.515 1.00 43.31 H new ATOM 0 HG13 ILE A 14 -7.050 -3.330 -7.581 1.00 43.31 H new ATOM 0 HG21 ILE A 14 -6.837 -0.897 -8.299 1.00 3.42 H new ATOM 0 HG22 ILE A 14 -5.618 0.137 -7.516 1.00 3.42 H new ATOM 0 HG23 ILE A 14 -5.116 -1.078 -8.716 1.00 3.42 H new ATOM 0 HD11 ILE A 14 -5.461 -4.708 -8.829 1.00 65.13 H new ATOM 0 HD12 ILE A 14 -5.345 -3.006 -9.337 1.00 65.13 H new ATOM 0 HD13 ILE A 14 -4.113 -3.697 -8.254 1.00 65.13 H new ATOM 65 N PRO A 15 -2.913 0.085 -6.912 1.00 5.22 N ATOM 66 CA PRO A 15 -2.414 1.462 -6.852 1.00 44.30 C ATOM 67 C PRO A 15 -3.482 2.483 -7.231 1.00 25.34 C ATOM 68 O PRO A 15 -3.173 3.631 -7.553 1.00 24.44 O ATOM 69 CB PRO A 15 -1.277 1.473 -7.877 1.00 61.52 C ATOM 70 CG PRO A 15 -1.620 0.384 -8.834 1.00 73.24 C ATOM 71 CD PRO A 15 -2.319 -0.674 -8.025 1.00 41.23 C ATOM 0 HA PRO A 15 -2.101 1.738 -5.845 1.00 44.30 H new ATOM 0 HB2 PRO A 15 -1.208 2.437 -8.382 1.00 61.52 H new ATOM 0 HB3 PRO A 15 -0.313 1.293 -7.401 1.00 61.52 H new ATOM 0 HG2 PRO A 15 -2.264 0.754 -9.632 1.00 73.24 H new ATOM 0 HG3 PRO A 15 -0.723 -0.016 -9.308 1.00 73.24 H new ATOM 0 HD2 PRO A 15 -3.080 -1.190 -8.610 1.00 41.23 H new ATOM 0 HD3 PRO A 15 -1.622 -1.432 -7.668 1.00 41.23 H new ATOM 79 N THR A 16 -4.741 2.058 -7.190 1.00 23.14 N ATOM 80 CA THR A 16 -5.854 2.934 -7.529 1.00 15.40 C ATOM 81 C THR A 16 -7.022 2.737 -6.569 1.00 2.04 C ATOM 82 O THR A 16 -8.178 2.969 -6.924 1.00 31.43 O ATOM 83 CB THR A 16 -6.343 2.690 -8.969 1.00 43.54 C ATOM 84 OG1 THR A 16 -5.223 2.482 -9.837 1.00 51.14 O ATOM 85 CG2 THR A 16 -7.166 3.868 -9.469 1.00 4.53 C ATOM 0 H THR A 16 -5.015 1.112 -6.925 1.00 23.14 H new ATOM 0 HA THR A 16 -5.487 3.957 -7.446 1.00 15.40 H new ATOM 0 HB THR A 16 -6.974 1.801 -8.969 1.00 43.54 H new ATOM 0 HG1 THR A 16 -5.542 2.326 -10.751 1.00 51.14 H new ATOM 0 HG21 THR A 16 -7.500 3.672 -10.488 1.00 4.53 H new ATOM 0 HG22 THR A 16 -8.033 4.006 -8.823 1.00 4.53 H new ATOM 0 HG23 THR A 16 -6.555 4.771 -9.455 1.00 4.53 H new ATOM 93 N THR A 17 -6.713 2.308 -5.349 1.00 3.12 N ATOM 94 CA THR A 17 -7.736 2.079 -4.337 1.00 12.21 C ATOM 95 C THR A 17 -8.264 3.397 -3.781 1.00 22.35 C ATOM 96 O THR A 17 -8.003 4.463 -4.336 1.00 12.53 O ATOM 97 CB THR A 17 -7.196 1.224 -3.175 1.00 74.11 C ATOM 98 OG1 THR A 17 -5.767 1.166 -3.233 1.00 22.32 O ATOM 99 CG2 THR A 17 -7.769 -0.184 -3.228 1.00 61.54 C ATOM 0 H THR A 17 -5.761 2.112 -5.038 1.00 3.12 H new ATOM 0 HA THR A 17 -8.549 1.542 -4.826 1.00 12.21 H new ATOM 0 HB THR A 17 -7.502 1.688 -2.238 1.00 74.11 H new ATOM 0 HG1 THR A 17 -5.493 0.510 -3.908 1.00 22.32 H new ATOM 0 HG21 THR A 17 -7.373 -0.769 -2.398 1.00 61.54 H new ATOM 0 HG22 THR A 17 -8.856 -0.138 -3.154 1.00 61.54 H new ATOM 0 HG23 THR A 17 -7.489 -0.655 -4.170 1.00 61.54 H new ATOM 107 N GLU A 18 -9.006 3.315 -2.681 1.00 21.44 N ATOM 108 CA GLU A 18 -9.570 4.502 -2.050 1.00 2.30 C ATOM 109 C GLU A 18 -8.466 5.422 -1.537 1.00 25.15 C ATOM 110 O GLU A 18 -7.821 6.128 -2.311 1.00 14.00 O ATOM 111 CB GLU A 18 -10.494 4.105 -0.897 1.00 74.35 C ATOM 112 CG GLU A 18 -11.856 3.608 -1.353 1.00 60.43 C ATOM 113 CD GLU A 18 -12.701 4.705 -1.971 1.00 63.23 C ATOM 114 OE1 GLU A 18 -13.389 5.421 -1.214 1.00 25.02 O ATOM 115 OE2 GLU A 18 -12.674 4.847 -3.212 1.00 13.35 O ATOM 0 H GLU A 18 -9.230 2.439 -2.209 1.00 21.44 H new ATOM 0 HA GLU A 18 -10.149 5.040 -2.801 1.00 2.30 H new ATOM 0 HB2 GLU A 18 -10.011 3.326 -0.307 1.00 74.35 H new ATOM 0 HB3 GLU A 18 -10.631 4.964 -0.240 1.00 74.35 H new ATOM 0 HG2 GLU A 18 -11.721 2.806 -2.079 1.00 60.43 H new ATOM 0 HG3 GLU A 18 -12.387 3.182 -0.502 1.00 60.43 H new ATOM 122 N ASN A 19 -8.254 5.407 -0.224 1.00 42.25 N ATOM 123 CA ASN A 19 -7.229 6.240 0.394 1.00 44.34 C ATOM 124 C ASN A 19 -5.951 5.442 0.633 1.00 4.21 C ATOM 125 O ASN A 19 -5.021 5.919 1.286 1.00 70.21 O ATOM 126 CB ASN A 19 -7.739 6.816 1.716 1.00 0.21 C ATOM 127 CG ASN A 19 -7.854 8.328 1.682 1.00 31.12 C ATOM 128 OD1 ASN A 19 -8.355 8.902 0.715 1.00 64.10 O ATOM 129 ND2 ASN A 19 -7.390 8.980 2.742 1.00 43.45 N ATOM 0 H ASN A 19 -8.778 4.827 0.431 1.00 42.25 H new ATOM 0 HA ASN A 19 -7.002 7.060 -0.288 1.00 44.34 H new ATOM 0 HB2 ASN A 19 -8.714 6.385 1.945 1.00 0.21 H new ATOM 0 HB3 ASN A 19 -7.065 6.524 2.521 1.00 0.21 H new ATOM 0 HD21 ASN A 19 -7.441 9.998 2.777 1.00 43.45 H new ATOM 0 HD22 ASN A 19 -6.983 8.463 3.521 1.00 43.45 H new ATOM 136 N LEU A 20 -5.911 4.226 0.100 1.00 3.04 N ATOM 137 CA LEU A 20 -4.746 3.361 0.255 1.00 74.20 C ATOM 138 C LEU A 20 -3.527 3.960 -0.439 1.00 30.42 C ATOM 139 O LEU A 20 -2.398 3.517 -0.224 1.00 73.13 O ATOM 140 CB LEU A 20 -5.040 1.971 -0.314 1.00 3.43 C ATOM 141 CG LEU A 20 -5.869 1.044 0.575 1.00 23.42 C ATOM 142 CD1 LEU A 20 -6.634 1.845 1.616 1.00 15.41 C ATOM 143 CD2 LEU A 20 -6.823 0.210 -0.267 1.00 54.43 C ATOM 0 H LEU A 20 -6.671 3.817 -0.443 1.00 3.04 H new ATOM 0 HA LEU A 20 -4.528 3.273 1.319 1.00 74.20 H new ATOM 0 HB2 LEU A 20 -5.561 2.092 -1.264 1.00 3.43 H new ATOM 0 HB3 LEU A 20 -4.091 1.481 -0.531 1.00 3.43 H new ATOM 0 HG LEU A 20 -5.190 0.368 1.095 1.00 23.42 H new ATOM 0 HD11 LEU A 20 -7.218 1.168 2.239 1.00 15.41 H new ATOM 0 HD12 LEU A 20 -5.931 2.396 2.240 1.00 15.41 H new ATOM 0 HD13 LEU A 20 -7.303 2.546 1.116 1.00 15.41 H new ATOM 0 HD21 LEU A 20 -7.405 -0.444 0.383 1.00 54.43 H new ATOM 0 HD22 LEU A 20 -7.496 0.869 -0.815 1.00 54.43 H new ATOM 0 HD23 LEU A 20 -6.253 -0.394 -0.973 1.00 54.43 H new ATOM 155 N TYR A 21 -3.762 4.969 -1.269 1.00 40.50 N ATOM 156 CA TYR A 21 -2.683 5.629 -1.995 1.00 0.45 C ATOM 157 C TYR A 21 -2.209 6.875 -1.252 1.00 30.23 C ATOM 158 O TYR A 21 -1.403 7.650 -1.766 1.00 65.24 O ATOM 159 CB TYR A 21 -3.144 6.007 -3.403 1.00 64.45 C ATOM 160 CG TYR A 21 -4.036 7.227 -3.443 1.00 24.25 C ATOM 161 CD1 TYR A 21 -3.494 8.506 -3.487 1.00 73.11 C ATOM 162 CD2 TYR A 21 -5.419 7.101 -3.434 1.00 12.12 C ATOM 163 CE1 TYR A 21 -4.305 9.624 -3.522 1.00 72.22 C ATOM 164 CE2 TYR A 21 -6.238 8.213 -3.470 1.00 43.31 C ATOM 165 CZ TYR A 21 -5.676 9.472 -3.514 1.00 51.30 C ATOM 166 OH TYR A 21 -6.488 10.583 -3.549 1.00 32.31 O ATOM 0 H TYR A 21 -4.690 5.348 -1.456 1.00 40.50 H new ATOM 0 HA TYR A 21 -1.849 4.931 -2.068 1.00 0.45 H new ATOM 0 HB2 TYR A 21 -2.268 6.187 -4.026 1.00 64.45 H new ATOM 0 HB3 TYR A 21 -3.678 5.163 -3.840 1.00 64.45 H new ATOM 0 HD1 TYR A 21 -2.421 8.628 -3.494 1.00 73.11 H new ATOM 0 HD2 TYR A 21 -5.862 6.117 -3.398 1.00 12.12 H new ATOM 0 HE1 TYR A 21 -3.868 10.611 -3.555 1.00 72.22 H new ATOM 0 HE2 TYR A 21 -7.312 8.097 -3.464 1.00 43.31 H new ATOM 0 HH TYR A 21 -6.203 11.218 -2.859 1.00 32.31 H new ATOM 176 N PHE A 22 -2.716 7.060 -0.037 1.00 41.23 N ATOM 177 CA PHE A 22 -2.346 8.211 0.778 1.00 1.11 C ATOM 178 C PHE A 22 -1.429 7.793 1.924 1.00 14.44 C ATOM 179 O PHE A 22 -0.474 8.495 2.255 1.00 12.14 O ATOM 180 CB PHE A 22 -3.598 8.893 1.334 1.00 61.03 C ATOM 181 CG PHE A 22 -4.079 10.040 0.492 1.00 1.53 C ATOM 182 CD1 PHE A 22 -3.235 11.097 0.191 1.00 50.22 C ATOM 183 CD2 PHE A 22 -5.375 10.063 0.003 1.00 32.45 C ATOM 184 CE1 PHE A 22 -3.674 12.155 -0.584 1.00 34.55 C ATOM 185 CE2 PHE A 22 -5.820 11.117 -0.772 1.00 21.14 C ATOM 186 CZ PHE A 22 -4.969 12.165 -1.064 1.00 61.24 C ATOM 0 H PHE A 22 -3.384 6.428 0.404 1.00 41.23 H new ATOM 0 HA PHE A 22 -1.808 8.916 0.144 1.00 1.11 H new ATOM 0 HB2 PHE A 22 -4.396 8.156 1.420 1.00 61.03 H new ATOM 0 HB3 PHE A 22 -3.389 9.254 2.341 1.00 61.03 H new ATOM 0 HD1 PHE A 22 -2.222 11.095 0.566 1.00 50.22 H new ATOM 0 HD2 PHE A 22 -6.046 9.247 0.230 1.00 32.45 H new ATOM 0 HE1 PHE A 22 -3.006 12.972 -0.813 1.00 34.55 H new ATOM 0 HE2 PHE A 22 -6.832 11.121 -1.149 1.00 21.14 H new ATOM 0 HZ PHE A 22 -5.316 12.991 -1.667 1.00 61.24 H new ATOM 196 N GLN A 23 -1.729 6.647 2.526 1.00 61.54 N ATOM 197 CA GLN A 23 -0.933 6.136 3.636 1.00 71.14 C ATOM 198 C GLN A 23 0.471 5.761 3.172 1.00 52.51 C ATOM 199 O GLN A 23 1.462 6.131 3.800 1.00 20.42 O ATOM 200 CB GLN A 23 -1.617 4.920 4.264 1.00 4.41 C ATOM 201 CG GLN A 23 -3.078 5.156 4.612 1.00 44.13 C ATOM 202 CD GLN A 23 -3.303 6.476 5.323 1.00 63.20 C ATOM 203 OE1 GLN A 23 -2.690 6.750 6.355 1.00 12.23 O ATOM 204 NE2 GLN A 23 -4.185 7.302 4.773 1.00 31.03 N ATOM 0 H GLN A 23 -2.517 6.055 2.264 1.00 61.54 H new ATOM 0 HA GLN A 23 -0.850 6.924 4.384 1.00 71.14 H new ATOM 0 HB2 GLN A 23 -1.548 4.078 3.575 1.00 4.41 H new ATOM 0 HB3 GLN A 23 -1.078 4.637 5.168 1.00 4.41 H new ATOM 0 HG2 GLN A 23 -3.673 5.133 3.699 1.00 44.13 H new ATOM 0 HG3 GLN A 23 -3.433 4.342 5.244 1.00 44.13 H new ATOM 0 HE21 GLN A 23 -4.670 7.034 3.917 1.00 31.03 H new ATOM 0 HE22 GLN A 23 -4.377 8.205 5.207 1.00 31.03 H new ATOM 213 N GLY A 24 0.547 5.025 2.067 1.00 3.14 N ATOM 214 CA GLY A 24 1.834 4.612 1.539 1.00 43.43 C ATOM 215 C GLY A 24 2.855 5.733 1.557 1.00 30.22 C ATOM 216 O GLY A 24 4.050 5.490 1.719 1.00 65.23 O ATOM 0 H GLY A 24 -0.259 4.708 1.529 1.00 3.14 H new ATOM 0 HA2 GLY A 24 2.210 3.772 2.123 1.00 43.43 H new ATOM 0 HA3 GLY A 24 1.707 4.257 0.516 1.00 43.43 H new ATOM 220 N ALA A 25 2.383 6.964 1.390 1.00 61.13 N ATOM 221 CA ALA A 25 3.263 8.126 1.388 1.00 22.23 C ATOM 222 C ALA A 25 4.149 8.145 2.629 1.00 25.31 C ATOM 223 O ALA A 25 5.371 8.036 2.532 1.00 5.50 O ATOM 224 CB ALA A 25 2.446 9.406 1.301 1.00 5.51 C ATOM 0 H ALA A 25 1.396 7.182 1.254 1.00 61.13 H new ATOM 0 HA ALA A 25 3.909 8.060 0.513 1.00 22.23 H new ATOM 0 HB1 ALA A 25 3.116 10.266 1.300 1.00 5.51 H new ATOM 0 HB2 ALA A 25 1.860 9.402 0.382 1.00 5.51 H new ATOM 0 HB3 ALA A 25 1.776 9.469 2.158 1.00 5.51 H new ATOM 230 N MET A 26 3.525 8.284 3.794 1.00 24.42 N ATOM 231 CA MET A 26 4.259 8.316 5.054 1.00 13.33 C ATOM 232 C MET A 26 4.831 6.942 5.386 1.00 35.43 C ATOM 233 O MET A 26 5.603 6.792 6.333 1.00 53.52 O ATOM 234 CB MET A 26 3.347 8.789 6.188 1.00 54.43 C ATOM 235 CG MET A 26 2.401 7.713 6.696 1.00 11.41 C ATOM 236 SD MET A 26 3.068 6.814 8.109 1.00 32.41 S ATOM 237 CE MET A 26 3.284 8.145 9.287 1.00 11.32 C ATOM 0 H MET A 26 2.514 8.376 3.892 1.00 24.42 H new ATOM 0 HA MET A 26 5.086 9.017 4.946 1.00 13.33 H new ATOM 0 HB2 MET A 26 3.963 9.140 7.016 1.00 54.43 H new ATOM 0 HB3 MET A 26 2.762 9.641 5.842 1.00 54.43 H new ATOM 0 HG2 MET A 26 1.453 8.171 6.976 1.00 11.41 H new ATOM 0 HG3 MET A 26 2.190 7.010 5.890 1.00 11.41 H new ATOM 0 HE1 MET A 26 3.485 7.728 10.274 1.00 11.32 H new ATOM 0 HE2 MET A 26 4.122 8.771 8.980 1.00 11.32 H new ATOM 0 HE3 MET A 26 2.377 8.748 9.326 1.00 11.32 H new ATOM 247 N ALA A 27 4.446 5.940 4.601 1.00 10.45 N ATOM 248 CA ALA A 27 4.922 4.579 4.812 1.00 60.24 C ATOM 249 C ALA A 27 6.350 4.412 4.303 1.00 31.12 C ATOM 250 O ALA A 27 7.056 3.485 4.699 1.00 22.54 O ATOM 251 CB ALA A 27 3.996 3.584 4.127 1.00 42.42 C ATOM 0 H ALA A 27 3.806 6.046 3.814 1.00 10.45 H new ATOM 0 HA ALA A 27 4.921 4.382 5.884 1.00 60.24 H new ATOM 0 HB1 ALA A 27 4.364 2.571 4.293 1.00 42.42 H new ATOM 0 HB2 ALA A 27 2.992 3.678 4.540 1.00 42.42 H new ATOM 0 HB3 ALA A 27 3.969 3.789 3.057 1.00 42.42 H new ATOM 257 N PHE A 28 6.769 5.315 3.423 1.00 70.11 N ATOM 258 CA PHE A 28 8.113 5.266 2.859 1.00 52.43 C ATOM 259 C PHE A 28 9.139 5.804 3.852 1.00 63.33 C ATOM 260 O PHE A 28 10.318 5.945 3.527 1.00 64.52 O ATOM 261 CB PHE A 28 8.173 6.072 1.560 1.00 52.45 C ATOM 262 CG PHE A 28 7.056 5.756 0.606 1.00 43.31 C ATOM 263 CD1 PHE A 28 6.540 4.473 0.524 1.00 15.34 C ATOM 264 CD2 PHE A 28 6.523 6.742 -0.209 1.00 2.23 C ATOM 265 CE1 PHE A 28 5.513 4.180 -0.353 1.00 33.31 C ATOM 266 CE2 PHE A 28 5.496 6.455 -1.088 1.00 31.43 C ATOM 267 CZ PHE A 28 4.989 5.172 -1.159 1.00 24.20 C ATOM 0 H PHE A 28 6.198 6.089 3.085 1.00 70.11 H new ATOM 0 HA PHE A 28 8.352 4.225 2.644 1.00 52.43 H new ATOM 0 HB2 PHE A 28 8.146 7.135 1.800 1.00 52.45 H new ATOM 0 HB3 PHE A 28 9.126 5.881 1.067 1.00 52.45 H new ATOM 0 HD1 PHE A 28 6.945 3.693 1.152 1.00 15.34 H new ATOM 0 HD2 PHE A 28 6.915 7.747 -0.157 1.00 2.23 H new ATOM 0 HE1 PHE A 28 5.120 3.176 -0.408 1.00 33.31 H new ATOM 0 HE2 PHE A 28 5.090 7.233 -1.718 1.00 31.43 H new ATOM 0 HZ PHE A 28 4.185 4.945 -1.843 1.00 24.20 H new ATOM 277 N ASP A 29 8.682 6.102 5.063 1.00 50.34 N ATOM 278 CA ASP A 29 9.559 6.624 6.104 1.00 24.21 C ATOM 279 C ASP A 29 10.208 5.487 6.888 1.00 71.02 C ATOM 280 O ASP A 29 11.351 5.114 6.629 1.00 4.41 O ATOM 281 CB ASP A 29 8.776 7.532 7.053 1.00 11.11 C ATOM 282 CG ASP A 29 8.309 8.808 6.380 1.00 72.52 C ATOM 283 OD1 ASP A 29 8.447 8.910 5.143 1.00 32.11 O ATOM 284 OD2 ASP A 29 7.806 9.704 7.090 1.00 71.23 O ATOM 0 H ASP A 29 7.709 5.991 5.348 1.00 50.34 H new ATOM 0 HA ASP A 29 10.346 7.206 5.624 1.00 24.21 H new ATOM 0 HB2 ASP A 29 7.912 6.991 7.439 1.00 11.11 H new ATOM 0 HB3 ASP A 29 9.402 7.784 7.909 1.00 11.11 H new ATOM 289 N GLY A 30 9.469 4.940 7.849 1.00 51.05 N ATOM 290 CA GLY A 30 9.989 3.852 8.656 1.00 1.31 C ATOM 291 C GLY A 30 9.023 2.688 8.752 1.00 1.10 C ATOM 292 O GLY A 30 9.182 1.810 9.600 1.00 50.43 O ATOM 0 H GLY A 30 8.520 5.231 8.083 1.00 51.05 H new ATOM 0 HA2 GLY A 30 10.930 3.505 8.229 1.00 1.31 H new ATOM 0 HA3 GLY A 30 10.210 4.220 9.658 1.00 1.31 H new ATOM 296 N GLU A 31 8.018 2.682 7.882 1.00 62.53 N ATOM 297 CA GLU A 31 7.022 1.617 7.875 1.00 54.13 C ATOM 298 C GLU A 31 7.687 0.250 7.750 1.00 21.50 C ATOM 299 O GLU A 31 8.122 -0.145 6.668 1.00 53.12 O ATOM 300 CB GLU A 31 6.032 1.822 6.725 1.00 25.23 C ATOM 301 CG GLU A 31 4.716 1.088 6.917 1.00 11.14 C ATOM 302 CD GLU A 31 3.512 1.994 6.743 1.00 64.14 C ATOM 303 OE1 GLU A 31 3.398 2.980 7.501 1.00 74.31 O ATOM 304 OE2 GLU A 31 2.686 1.717 5.849 1.00 53.33 O ATOM 0 H GLU A 31 7.872 3.402 7.174 1.00 62.53 H new ATOM 0 HA GLU A 31 6.482 1.654 8.821 1.00 54.13 H new ATOM 0 HB2 GLU A 31 5.831 2.888 6.615 1.00 25.23 H new ATOM 0 HB3 GLU A 31 6.493 1.487 5.796 1.00 25.23 H new ATOM 0 HG2 GLU A 31 4.655 0.267 6.203 1.00 11.14 H new ATOM 0 HG3 GLU A 31 4.693 0.646 7.913 1.00 11.14 H new ATOM 311 N ASP A 32 7.763 -0.468 8.865 1.00 22.41 N ATOM 312 CA ASP A 32 8.375 -1.792 8.882 1.00 70.11 C ATOM 313 C ASP A 32 7.432 -2.834 8.288 1.00 62.00 C ATOM 314 O ASP A 32 6.400 -2.493 7.711 1.00 21.23 O ATOM 315 CB ASP A 32 8.753 -2.184 10.311 1.00 24.30 C ATOM 316 CG ASP A 32 10.197 -1.857 10.638 1.00 22.31 C ATOM 317 OD1 ASP A 32 10.522 -0.657 10.754 1.00 35.25 O ATOM 318 OD2 ASP A 32 11.003 -2.801 10.777 1.00 60.52 O ATOM 0 H ASP A 32 7.409 -0.156 9.769 1.00 22.41 H new ATOM 0 HA ASP A 32 9.278 -1.756 8.273 1.00 70.11 H new ATOM 0 HB2 ASP A 32 8.098 -1.666 11.012 1.00 24.30 H new ATOM 0 HB3 ASP A 32 8.585 -3.252 10.448 1.00 24.30 H new ATOM 323 N GLU A 33 7.796 -4.105 8.433 1.00 53.44 N ATOM 324 CA GLU A 33 6.983 -5.195 7.908 1.00 35.53 C ATOM 325 C GLU A 33 6.458 -6.075 9.039 1.00 34.14 C ATOM 326 O GLU A 33 7.227 -6.578 9.859 1.00 42.45 O ATOM 327 CB GLU A 33 7.796 -6.041 6.926 1.00 52.33 C ATOM 328 CG GLU A 33 7.372 -5.866 5.477 1.00 42.20 C ATOM 329 CD GLU A 33 7.276 -7.184 4.734 1.00 31.21 C ATOM 330 OE1 GLU A 33 8.321 -7.672 4.255 1.00 21.44 O ATOM 331 OE2 GLU A 33 6.156 -7.728 4.631 1.00 4.52 O ATOM 0 H GLU A 33 8.647 -4.404 8.909 1.00 53.44 H new ATOM 0 HA GLU A 33 6.133 -4.759 7.384 1.00 35.53 H new ATOM 0 HB2 GLU A 33 8.850 -5.781 7.021 1.00 52.33 H new ATOM 0 HB3 GLU A 33 7.701 -7.092 7.199 1.00 52.33 H new ATOM 0 HG2 GLU A 33 6.406 -5.363 5.443 1.00 42.20 H new ATOM 0 HG3 GLU A 33 8.086 -5.218 4.969 1.00 42.20 H new ATOM 338 N VAL A 34 5.141 -6.256 9.078 1.00 23.31 N ATOM 339 CA VAL A 34 4.512 -7.075 10.108 1.00 62.14 C ATOM 340 C VAL A 34 4.816 -8.554 9.895 1.00 13.11 C ATOM 341 O VAL A 34 5.214 -8.968 8.806 1.00 43.32 O ATOM 342 CB VAL A 34 2.985 -6.874 10.130 1.00 44.43 C ATOM 343 CG1 VAL A 34 2.282 -8.161 10.531 1.00 25.42 C ATOM 344 CG2 VAL A 34 2.612 -5.737 11.070 1.00 71.34 C ATOM 0 H VAL A 34 4.489 -5.847 8.408 1.00 23.31 H new ATOM 0 HA VAL A 34 4.927 -6.756 11.064 1.00 62.14 H new ATOM 0 HB VAL A 34 2.656 -6.608 9.125 1.00 44.43 H new ATOM 0 HG11 VAL A 34 1.204 -7.999 10.541 1.00 25.42 H new ATOM 0 HG12 VAL A 34 2.524 -8.946 9.815 1.00 25.42 H new ATOM 0 HG13 VAL A 34 2.613 -8.462 11.525 1.00 25.42 H new ATOM 0 HG21 VAL A 34 1.530 -5.608 11.074 1.00 71.34 H new ATOM 0 HG22 VAL A 34 2.953 -5.972 12.078 1.00 71.34 H new ATOM 0 HG23 VAL A 34 3.086 -4.815 10.732 1.00 71.34 H new ATOM 354 N THR A 35 4.624 -9.348 10.944 1.00 61.42 N ATOM 355 CA THR A 35 4.878 -10.782 10.873 1.00 13.21 C ATOM 356 C THR A 35 3.670 -11.527 10.317 1.00 32.11 C ATOM 357 O THR A 35 3.805 -12.390 9.451 1.00 63.20 O ATOM 358 CB THR A 35 5.230 -11.359 12.257 1.00 4.10 C ATOM 359 OG1 THR A 35 4.033 -11.694 12.968 1.00 42.42 O ATOM 360 CG2 THR A 35 6.045 -10.362 13.067 1.00 23.12 C ATOM 0 H THR A 35 4.294 -9.022 11.852 1.00 61.42 H new ATOM 0 HA THR A 35 5.727 -10.920 10.203 1.00 13.21 H new ATOM 0 HB THR A 35 5.828 -12.259 12.110 1.00 4.10 H new ATOM 0 HG1 THR A 35 4.266 -12.061 13.846 1.00 42.42 H new ATOM 0 HG21 THR A 35 6.282 -10.791 14.040 1.00 23.12 H new ATOM 0 HG22 THR A 35 6.969 -10.132 12.537 1.00 23.12 H new ATOM 0 HG23 THR A 35 5.468 -9.447 13.204 1.00 23.12 H new ATOM 368 N GLY A 36 2.487 -11.187 10.821 1.00 60.31 N ATOM 369 CA GLY A 36 1.272 -11.834 10.362 1.00 73.13 C ATOM 370 C GLY A 36 0.021 -11.125 10.842 1.00 72.40 C ATOM 371 O GLY A 36 -0.594 -10.344 10.115 1.00 22.32 O ATOM 0 H GLY A 36 2.349 -10.475 11.539 1.00 60.31 H new ATOM 0 HA2 GLY A 36 1.271 -11.868 9.273 1.00 73.13 H new ATOM 0 HA3 GLY A 36 1.259 -12.866 10.713 1.00 73.13 H new ATOM 375 N PRO A 37 -0.375 -11.398 12.094 1.00 22.22 N ATOM 376 CA PRO A 37 -1.565 -10.792 12.698 1.00 1.13 C ATOM 377 C PRO A 37 -1.380 -9.304 12.976 1.00 21.14 C ATOM 378 O PRO A 37 -0.270 -8.779 12.882 1.00 15.35 O ATOM 379 CB PRO A 37 -1.730 -11.564 14.009 1.00 20.54 C ATOM 380 CG PRO A 37 -0.361 -12.053 14.336 1.00 0.43 C ATOM 381 CD PRO A 37 0.310 -12.319 13.017 1.00 33.21 C ATOM 0 HA PRO A 37 -2.432 -10.853 12.040 1.00 1.13 H new ATOM 0 HB2 PRO A 37 -2.121 -10.923 14.799 1.00 20.54 H new ATOM 0 HB3 PRO A 37 -2.430 -12.392 13.895 1.00 20.54 H new ATOM 0 HG2 PRO A 37 0.191 -11.311 14.912 1.00 0.43 H new ATOM 0 HG3 PRO A 37 -0.404 -12.958 14.941 1.00 0.43 H new ATOM 0 HD2 PRO A 37 1.381 -12.119 13.063 1.00 33.21 H new ATOM 0 HD3 PRO A 37 0.193 -13.358 12.709 1.00 33.21 H new ATOM 389 N ASP A 38 -2.472 -8.631 13.319 1.00 15.21 N ATOM 390 CA ASP A 38 -2.430 -7.203 13.613 1.00 51.14 C ATOM 391 C ASP A 38 -1.659 -6.936 14.901 1.00 3.33 C ATOM 392 O ASP A 38 -1.096 -5.857 15.087 1.00 63.31 O ATOM 393 CB ASP A 38 -3.848 -6.642 13.727 1.00 53.32 C ATOM 394 CG ASP A 38 -4.858 -7.455 12.941 1.00 21.21 C ATOM 395 OD1 ASP A 38 -5.217 -8.560 13.401 1.00 42.15 O ATOM 396 OD2 ASP A 38 -5.290 -6.987 11.867 1.00 2.13 O ATOM 0 H ASP A 38 -3.398 -9.051 13.400 1.00 15.21 H new ATOM 0 HA ASP A 38 -1.915 -6.703 12.792 1.00 51.14 H new ATOM 0 HB2 ASP A 38 -4.143 -6.618 14.776 1.00 53.32 H new ATOM 0 HB3 ASP A 38 -3.858 -5.612 13.370 1.00 53.32 H new ATOM 401 N ALA A 39 -1.638 -7.925 15.789 1.00 55.23 N ATOM 402 CA ALA A 39 -0.936 -7.797 17.059 1.00 2.23 C ATOM 403 C ALA A 39 0.508 -7.354 16.846 1.00 13.32 C ATOM 404 O ALA A 39 1.102 -6.706 17.708 1.00 20.23 O ATOM 405 CB ALA A 39 -0.979 -9.113 17.821 1.00 22.12 C ATOM 0 H ALA A 39 -2.100 -8.824 15.651 1.00 55.23 H new ATOM 0 HA ALA A 39 -1.440 -7.032 17.649 1.00 2.23 H new ATOM 0 HB1 ALA A 39 -0.451 -9.003 18.768 1.00 22.12 H new ATOM 0 HB2 ALA A 39 -2.016 -9.388 18.014 1.00 22.12 H new ATOM 0 HB3 ALA A 39 -0.501 -9.893 17.228 1.00 22.12 H new ATOM 411 N ASP A 40 1.066 -7.707 15.694 1.00 71.13 N ATOM 412 CA ASP A 40 2.440 -7.345 15.367 1.00 24.32 C ATOM 413 C ASP A 40 2.533 -5.880 14.953 1.00 72.02 C ATOM 414 O ASP A 40 3.552 -5.226 15.172 1.00 4.11 O ATOM 415 CB ASP A 40 2.973 -8.240 14.247 1.00 44.31 C ATOM 416 CG ASP A 40 3.196 -9.668 14.703 1.00 74.42 C ATOM 417 OD1 ASP A 40 4.260 -9.944 15.295 1.00 2.32 O ATOM 418 OD2 ASP A 40 2.305 -10.511 14.468 1.00 14.01 O ATOM 0 H ASP A 40 0.588 -8.244 14.970 1.00 71.13 H new ATOM 0 HA ASP A 40 3.050 -7.490 16.259 1.00 24.32 H new ATOM 0 HB2 ASP A 40 2.269 -8.233 13.415 1.00 44.31 H new ATOM 0 HB3 ASP A 40 3.912 -7.830 13.874 1.00 44.31 H new ATOM 423 N ARG A 41 1.462 -5.372 14.352 1.00 51.31 N ATOM 424 CA ARG A 41 1.423 -3.985 13.905 1.00 42.35 C ATOM 425 C ARG A 41 1.698 -3.032 15.064 1.00 11.41 C ATOM 426 O ARG A 41 2.381 -2.021 14.901 1.00 22.14 O ATOM 427 CB ARG A 41 0.064 -3.666 13.279 1.00 11.13 C ATOM 428 CG ARG A 41 -0.970 -3.183 14.283 1.00 32.44 C ATOM 429 CD ARG A 41 -2.386 -3.428 13.786 1.00 72.10 C ATOM 430 NE ARG A 41 -3.319 -3.667 14.884 1.00 25.34 N ATOM 431 CZ ARG A 41 -4.637 -3.717 14.731 1.00 11.24 C ATOM 432 NH1 ARG A 41 -5.176 -3.545 13.532 1.00 24.21 N ATOM 433 NH2 ARG A 41 -5.420 -3.939 15.780 1.00 41.04 N ATOM 0 H ARG A 41 0.610 -5.900 14.163 1.00 51.31 H new ATOM 0 HA ARG A 41 2.201 -3.850 13.154 1.00 42.35 H new ATOM 0 HB2 ARG A 41 0.197 -2.903 12.512 1.00 11.13 H new ATOM 0 HB3 ARG A 41 -0.315 -4.558 12.780 1.00 11.13 H new ATOM 0 HG2 ARG A 41 -0.823 -3.696 15.234 1.00 32.44 H new ATOM 0 HG3 ARG A 41 -0.828 -2.119 14.470 1.00 32.44 H new ATOM 0 HD2 ARG A 41 -2.721 -2.567 13.207 1.00 72.10 H new ATOM 0 HD3 ARG A 41 -2.391 -4.286 13.113 1.00 72.10 H new ATOM 0 HE ARG A 41 -2.937 -3.803 15.820 1.00 25.34 H new ATOM 0 HH11 ARG A 41 -4.578 -3.374 12.724 1.00 24.21 H new ATOM 0 HH12 ARG A 41 -6.189 -3.584 13.418 1.00 24.21 H new ATOM 0 HH21 ARG A 41 -5.009 -4.071 16.704 1.00 41.04 H new ATOM 0 HH22 ARG A 41 -6.432 -3.977 15.662 1.00 41.04 H new ATOM 447 N ALA A 42 1.160 -3.361 16.234 1.00 40.31 N ATOM 448 CA ALA A 42 1.348 -2.535 17.421 1.00 62.45 C ATOM 449 C ALA A 42 2.787 -2.611 17.920 1.00 62.45 C ATOM 450 O ALA A 42 3.306 -1.655 18.496 1.00 54.03 O ATOM 451 CB ALA A 42 0.384 -2.961 18.518 1.00 52.13 C ATOM 0 H ALA A 42 0.591 -4.194 16.385 1.00 40.31 H new ATOM 0 HA ALA A 42 1.139 -1.500 17.150 1.00 62.45 H new ATOM 0 HB1 ALA A 42 0.535 -2.336 19.398 1.00 52.13 H new ATOM 0 HB2 ALA A 42 -0.641 -2.849 18.165 1.00 52.13 H new ATOM 0 HB3 ALA A 42 0.566 -4.004 18.778 1.00 52.13 H new ATOM 457 N ARG A 43 3.427 -3.755 17.695 1.00 13.42 N ATOM 458 CA ARG A 43 4.806 -3.956 18.124 1.00 15.41 C ATOM 459 C ARG A 43 5.772 -3.189 17.226 1.00 54.50 C ATOM 460 O ARG A 43 6.692 -2.529 17.708 1.00 14.40 O ATOM 461 CB ARG A 43 5.154 -5.445 18.111 1.00 21.14 C ATOM 462 CG ARG A 43 3.972 -6.350 18.419 1.00 1.21 C ATOM 463 CD ARG A 43 4.370 -7.817 18.384 1.00 32.22 C ATOM 464 NE ARG A 43 3.366 -8.671 19.013 1.00 72.53 N ATOM 465 CZ ARG A 43 3.153 -8.713 20.323 1.00 34.21 C ATOM 466 NH1 ARG A 43 3.869 -7.953 21.139 1.00 1.33 N ATOM 467 NH2 ARG A 43 2.220 -9.516 20.820 1.00 64.53 N ATOM 0 H ARG A 43 3.012 -4.556 17.218 1.00 13.42 H new ATOM 0 HA ARG A 43 4.903 -3.576 19.141 1.00 15.41 H new ATOM 0 HB2 ARG A 43 5.556 -5.707 17.132 1.00 21.14 H new ATOM 0 HB3 ARG A 43 5.943 -5.631 18.840 1.00 21.14 H new ATOM 0 HG2 ARG A 43 3.571 -6.104 19.402 1.00 1.21 H new ATOM 0 HG3 ARG A 43 3.177 -6.170 17.696 1.00 1.21 H new ATOM 0 HD2 ARG A 43 4.515 -8.129 17.350 1.00 32.22 H new ATOM 0 HD3 ARG A 43 5.326 -7.946 18.892 1.00 32.22 H new ATOM 0 HE ARG A 43 2.797 -9.268 18.413 1.00 72.53 H new ATOM 0 HH11 ARG A 43 4.586 -7.334 20.761 1.00 1.33 H new ATOM 0 HH12 ARG A 43 3.703 -7.987 22.145 1.00 1.33 H new ATOM 0 HH21 ARG A 43 1.666 -10.102 20.195 1.00 64.53 H new ATOM 0 HH22 ARG A 43 2.057 -9.547 21.826 1.00 64.53 H new ATOM 481 N ALA A 44 5.556 -3.281 15.918 1.00 74.21 N ATOM 482 CA ALA A 44 6.406 -2.595 14.953 1.00 74.22 C ATOM 483 C ALA A 44 6.053 -1.114 14.865 1.00 34.34 C ATOM 484 O ALA A 44 6.901 -0.250 15.085 1.00 60.35 O ATOM 485 CB ALA A 44 6.286 -3.250 13.585 1.00 72.03 C ATOM 0 H ALA A 44 4.799 -3.824 15.502 1.00 74.21 H new ATOM 0 HA ALA A 44 7.438 -2.676 15.294 1.00 74.22 H new ATOM 0 HB1 ALA A 44 6.926 -2.728 12.874 1.00 72.03 H new ATOM 0 HB2 ALA A 44 6.595 -4.293 13.653 1.00 72.03 H new ATOM 0 HB3 ALA A 44 5.251 -3.199 13.247 1.00 72.03 H new ATOM 491 N ALA A 45 4.795 -0.828 14.543 1.00 24.50 N ATOM 492 CA ALA A 45 4.330 0.548 14.428 1.00 43.11 C ATOM 493 C ALA A 45 4.633 1.338 15.697 1.00 64.13 C ATOM 494 O ALA A 45 4.615 2.568 15.692 1.00 4.33 O ATOM 495 CB ALA A 45 2.839 0.578 14.129 1.00 13.10 C ATOM 0 H ALA A 45 4.080 -1.532 14.357 1.00 24.50 H new ATOM 0 HA ALA A 45 4.864 1.018 13.602 1.00 43.11 H new ATOM 0 HB1 ALA A 45 2.505 1.612 14.046 1.00 13.10 H new ATOM 0 HB2 ALA A 45 2.645 0.058 13.191 1.00 13.10 H new ATOM 0 HB3 ALA A 45 2.296 0.085 14.936 1.00 13.10 H new ATOM 501 N ALA A 46 4.911 0.622 16.782 1.00 41.25 N ATOM 502 CA ALA A 46 5.219 1.257 18.057 1.00 24.41 C ATOM 503 C ALA A 46 6.486 2.099 17.959 1.00 44.50 C ATOM 504 O ALA A 46 6.436 3.327 18.041 1.00 33.35 O ATOM 505 CB ALA A 46 5.365 0.206 19.148 1.00 63.34 C ATOM 0 H ALA A 46 4.929 -0.398 16.803 1.00 41.25 H new ATOM 0 HA ALA A 46 4.393 1.920 18.314 1.00 24.41 H new ATOM 0 HB1 ALA A 46 5.595 0.694 20.095 1.00 63.34 H new ATOM 0 HB2 ALA A 46 4.433 -0.351 19.244 1.00 63.34 H new ATOM 0 HB3 ALA A 46 6.172 -0.479 18.888 1.00 63.34 H new ATOM 511 N VAL A 47 7.623 1.433 17.783 1.00 31.11 N ATOM 512 CA VAL A 47 8.904 2.121 17.673 1.00 33.04 C ATOM 513 C VAL A 47 9.596 1.787 16.357 1.00 51.12 C ATOM 514 O VAL A 47 10.550 2.456 15.959 1.00 34.33 O ATOM 515 CB VAL A 47 9.840 1.754 18.840 1.00 13.13 C ATOM 516 CG1 VAL A 47 11.103 2.600 18.798 1.00 10.21 C ATOM 517 CG2 VAL A 47 9.121 1.920 20.171 1.00 25.41 C ATOM 0 H VAL A 47 7.683 0.417 17.714 1.00 31.11 H new ATOM 0 HA VAL A 47 8.693 3.190 17.708 1.00 33.04 H new ATOM 0 HB VAL A 47 10.129 0.708 18.737 1.00 13.13 H new ATOM 0 HG11 VAL A 47 11.752 2.327 19.630 1.00 10.21 H new ATOM 0 HG12 VAL A 47 11.626 2.426 17.858 1.00 10.21 H new ATOM 0 HG13 VAL A 47 10.838 3.654 18.876 1.00 10.21 H new ATOM 0 HG21 VAL A 47 9.797 1.657 20.985 1.00 25.41 H new ATOM 0 HG22 VAL A 47 8.802 2.956 20.285 1.00 25.41 H new ATOM 0 HG23 VAL A 47 8.249 1.267 20.197 1.00 25.41 H new ATOM 527 N GLN A 48 9.109 0.749 15.685 1.00 55.01 N ATOM 528 CA GLN A 48 9.681 0.326 14.412 1.00 2.43 C ATOM 529 C GLN A 48 9.186 1.210 13.272 1.00 2.43 C ATOM 530 O GLN A 48 9.955 1.589 12.389 1.00 73.11 O ATOM 531 CB GLN A 48 9.328 -1.135 14.130 1.00 22.04 C ATOM 532 CG GLN A 48 9.814 -2.096 15.203 1.00 22.12 C ATOM 533 CD GLN A 48 9.915 -3.524 14.705 1.00 31.41 C ATOM 534 OE1 GLN A 48 8.966 -4.302 14.818 1.00 44.44 O ATOM 535 NE2 GLN A 48 11.068 -3.878 14.150 1.00 61.20 N ATOM 0 H GLN A 48 8.320 0.185 16.001 1.00 55.01 H new ATOM 0 HA GLN A 48 10.764 0.424 14.479 1.00 2.43 H new ATOM 0 HB2 GLN A 48 8.246 -1.227 14.035 1.00 22.04 H new ATOM 0 HB3 GLN A 48 9.758 -1.426 13.172 1.00 22.04 H new ATOM 0 HG2 GLN A 48 10.790 -1.770 15.562 1.00 22.12 H new ATOM 0 HG3 GLN A 48 9.133 -2.059 16.054 1.00 22.12 H new ATOM 0 HE21 GLN A 48 11.828 -3.201 14.077 1.00 61.20 H new ATOM 0 HE22 GLN A 48 11.194 -4.827 13.797 1.00 61.20 H new ATOM 544 N ALA A 49 7.898 1.535 13.299 1.00 52.24 N ATOM 545 CA ALA A 49 7.301 2.376 12.268 1.00 33.13 C ATOM 546 C ALA A 49 7.061 3.790 12.785 1.00 14.40 C ATOM 547 O ALA A 49 6.560 4.650 12.060 1.00 1.41 O ATOM 548 CB ALA A 49 5.998 1.763 11.777 1.00 53.23 C ATOM 0 H ALA A 49 7.248 1.229 14.023 1.00 52.24 H new ATOM 0 HA ALA A 49 7.999 2.436 11.433 1.00 33.13 H new ATOM 0 HB1 ALA A 49 5.563 2.401 11.008 1.00 53.23 H new ATOM 0 HB2 ALA A 49 6.195 0.775 11.361 1.00 53.23 H new ATOM 0 HB3 ALA A 49 5.301 1.673 12.610 1.00 53.23 H new ATOM 554 N VAL A 50 7.420 4.025 14.043 1.00 31.12 N ATOM 555 CA VAL A 50 7.244 5.336 14.657 1.00 73.31 C ATOM 556 C VAL A 50 8.496 6.191 14.496 1.00 74.32 C ATOM 557 O VAL A 50 8.485 7.401 14.723 1.00 74.31 O ATOM 558 CB VAL A 50 6.908 5.213 16.155 1.00 3.32 C ATOM 559 CG1 VAL A 50 8.167 5.351 16.997 1.00 24.15 C ATOM 560 CG2 VAL A 50 5.873 6.253 16.556 1.00 52.45 C ATOM 0 H VAL A 50 7.835 3.324 14.657 1.00 31.12 H new ATOM 0 HA VAL A 50 6.411 5.817 14.144 1.00 73.31 H new ATOM 0 HB VAL A 50 6.485 4.225 16.335 1.00 3.32 H new ATOM 0 HG11 VAL A 50 7.910 5.262 18.053 1.00 24.15 H new ATOM 0 HG12 VAL A 50 8.873 4.566 16.727 1.00 24.15 H new ATOM 0 HG13 VAL A 50 8.621 6.325 16.815 1.00 24.15 H new ATOM 0 HG21 VAL A 50 5.648 6.151 17.618 1.00 52.45 H new ATOM 0 HG22 VAL A 50 6.266 7.251 16.362 1.00 52.45 H new ATOM 0 HG23 VAL A 50 4.963 6.103 15.976 1.00 52.45 H new ATOM 570 N PRO A 51 9.603 5.549 14.094 1.00 73.13 N ATOM 571 CA PRO A 51 10.884 6.232 13.892 1.00 62.52 C ATOM 572 C PRO A 51 10.863 7.158 12.681 1.00 61.12 C ATOM 573 O PRO A 51 11.529 8.192 12.667 1.00 50.24 O ATOM 574 CB PRO A 51 11.868 5.080 13.667 1.00 12.44 C ATOM 575 CG PRO A 51 11.032 3.964 13.144 1.00 55.24 C ATOM 576 CD PRO A 51 9.688 4.108 13.805 1.00 65.44 C ATOM 0 HA PRO A 51 11.141 6.873 14.735 1.00 62.52 H new ATOM 0 HB2 PRO A 51 12.647 5.358 12.957 1.00 12.44 H new ATOM 0 HB3 PRO A 51 12.368 4.799 14.594 1.00 12.44 H new ATOM 0 HG2 PRO A 51 10.941 4.020 12.059 1.00 55.24 H new ATOM 0 HG3 PRO A 51 11.480 2.998 13.377 1.00 55.24 H new ATOM 0 HD2 PRO A 51 8.881 3.781 13.150 1.00 65.44 H new ATOM 0 HD3 PRO A 51 9.621 3.511 14.715 1.00 65.44 H new ATOM 584 N GLY A 52 10.093 6.780 11.665 1.00 32.41 N ATOM 585 CA GLY A 52 9.999 7.588 10.464 1.00 44.14 C ATOM 586 C GLY A 52 9.314 8.917 10.711 1.00 1.41 C ATOM 587 O GLY A 52 9.839 9.971 10.352 1.00 74.54 O ATOM 0 H GLY A 52 9.532 5.928 11.653 1.00 32.41 H new ATOM 0 HA2 GLY A 52 11.000 7.766 10.071 1.00 44.14 H new ATOM 0 HA3 GLY A 52 9.450 7.036 9.701 1.00 44.14 H new ATOM 591 N GLY A 53 8.136 8.869 11.326 1.00 23.04 N ATOM 592 CA GLY A 53 7.397 10.085 11.609 1.00 13.12 C ATOM 593 C GLY A 53 6.215 9.845 12.528 1.00 25.23 C ATOM 594 O GLY A 53 5.867 10.701 13.341 1.00 13.54 O ATOM 0 H GLY A 53 7.681 8.010 11.633 1.00 23.04 H new ATOM 0 HA2 GLY A 53 8.066 10.815 12.065 1.00 13.12 H new ATOM 0 HA3 GLY A 53 7.044 10.518 10.673 1.00 13.12 H new ATOM 598 N THR A 54 5.595 8.676 12.399 1.00 24.15 N ATOM 599 CA THR A 54 4.445 8.326 13.223 1.00 52.32 C ATOM 600 C THR A 54 4.366 6.820 13.446 1.00 13.41 C ATOM 601 O THR A 54 4.929 6.039 12.680 1.00 3.41 O ATOM 602 CB THR A 54 3.129 8.809 12.583 1.00 21.34 C ATOM 603 OG1 THR A 54 3.390 9.892 11.684 1.00 12.55 O ATOM 604 CG2 THR A 54 2.141 9.255 13.650 1.00 34.32 C ATOM 0 H THR A 54 5.870 7.956 11.731 1.00 24.15 H new ATOM 0 HA THR A 54 4.579 8.825 14.183 1.00 52.32 H new ATOM 0 HB THR A 54 2.692 7.977 12.031 1.00 21.34 H new ATOM 0 HG1 THR A 54 2.549 10.192 11.280 1.00 12.55 H new ATOM 0 HG21 THR A 54 1.220 9.592 13.175 1.00 34.32 H new ATOM 0 HG22 THR A 54 1.922 8.420 14.315 1.00 34.32 H new ATOM 0 HG23 THR A 54 2.572 10.074 14.226 1.00 34.32 H new ATOM 612 N ALA A 55 3.662 6.419 14.500 1.00 41.32 N ATOM 613 CA ALA A 55 3.507 5.006 14.822 1.00 42.21 C ATOM 614 C ALA A 55 2.598 4.310 13.815 1.00 51.11 C ATOM 615 O ALA A 55 1.428 4.053 14.094 1.00 14.34 O ATOM 616 CB ALA A 55 2.959 4.843 16.232 1.00 51.22 C ATOM 0 H ALA A 55 3.190 7.053 15.145 1.00 41.32 H new ATOM 0 HA ALA A 55 4.489 4.537 14.770 1.00 42.21 H new ATOM 0 HB1 ALA A 55 2.848 3.783 16.459 1.00 51.22 H new ATOM 0 HB2 ALA A 55 3.648 5.297 16.945 1.00 51.22 H new ATOM 0 HB3 ALA A 55 1.988 5.333 16.304 1.00 51.22 H new ATOM 622 N GLY A 56 3.144 4.007 12.641 1.00 3.51 N ATOM 623 CA GLY A 56 2.367 3.345 11.610 1.00 25.40 C ATOM 624 C GLY A 56 3.196 2.372 10.795 1.00 44.14 C ATOM 625 O GLY A 56 4.019 2.783 9.977 1.00 71.43 O ATOM 0 H GLY A 56 4.111 4.208 12.386 1.00 3.51 H new ATOM 0 HA2 GLY A 56 1.536 2.812 12.072 1.00 25.40 H new ATOM 0 HA3 GLY A 56 1.936 4.095 10.947 1.00 25.40 H new ATOM 629 N GLU A 57 2.981 1.080 11.019 1.00 33.31 N ATOM 630 CA GLU A 57 3.717 0.047 10.300 1.00 71.21 C ATOM 631 C GLU A 57 2.868 -0.545 9.178 1.00 45.10 C ATOM 632 O GLU A 57 1.906 0.072 8.721 1.00 43.14 O ATOM 633 CB GLU A 57 4.156 -1.060 11.260 1.00 32.45 C ATOM 634 CG GLU A 57 5.504 -1.668 10.913 1.00 24.32 C ATOM 635 CD GLU A 57 5.428 -3.165 10.683 1.00 32.14 C ATOM 636 OE1 GLU A 57 4.338 -3.656 10.322 1.00 51.52 O ATOM 637 OE2 GLU A 57 6.459 -3.846 10.865 1.00 30.11 O ATOM 0 H GLU A 57 2.303 0.723 11.693 1.00 33.31 H new ATOM 0 HA GLU A 57 4.601 0.507 9.859 1.00 71.21 H new ATOM 0 HB2 GLU A 57 4.199 -0.656 12.272 1.00 32.45 H new ATOM 0 HB3 GLU A 57 3.402 -1.847 11.263 1.00 32.45 H new ATOM 0 HG2 GLU A 57 5.896 -1.186 10.017 1.00 24.32 H new ATOM 0 HG3 GLU A 57 6.209 -1.464 11.719 1.00 24.32 H new ATOM 644 N VAL A 58 3.233 -1.745 8.739 1.00 71.35 N ATOM 645 CA VAL A 58 2.506 -2.422 7.671 1.00 40.42 C ATOM 646 C VAL A 58 2.085 -3.824 8.095 1.00 30.03 C ATOM 647 O VAL A 58 2.923 -4.656 8.441 1.00 62.04 O ATOM 648 CB VAL A 58 3.354 -2.518 6.388 1.00 33.24 C ATOM 649 CG1 VAL A 58 3.274 -3.918 5.799 1.00 32.34 C ATOM 650 CG2 VAL A 58 2.905 -1.478 5.374 1.00 54.52 C ATOM 0 H VAL A 58 4.028 -2.269 9.106 1.00 71.35 H new ATOM 0 HA VAL A 58 1.617 -1.826 7.466 1.00 40.42 H new ATOM 0 HB VAL A 58 4.394 -2.316 6.645 1.00 33.24 H new ATOM 0 HG11 VAL A 58 3.879 -3.967 4.894 1.00 32.34 H new ATOM 0 HG12 VAL A 58 3.648 -4.640 6.525 1.00 32.34 H new ATOM 0 HG13 VAL A 58 2.237 -4.152 5.556 1.00 32.34 H new ATOM 0 HG21 VAL A 58 3.515 -1.560 4.474 1.00 54.52 H new ATOM 0 HG22 VAL A 58 1.858 -1.646 5.120 1.00 54.52 H new ATOM 0 HG23 VAL A 58 3.020 -0.481 5.800 1.00 54.52 H new ATOM 660 N GLU A 59 0.780 -4.079 8.066 1.00 5.44 N ATOM 661 CA GLU A 59 0.248 -5.381 8.449 1.00 64.31 C ATOM 662 C GLU A 59 0.058 -6.272 7.225 1.00 51.05 C ATOM 663 O GLU A 59 0.192 -5.821 6.087 1.00 54.45 O ATOM 664 CB GLU A 59 -1.082 -5.217 9.186 1.00 55.02 C ATOM 665 CG GLU A 59 -1.244 -6.157 10.368 1.00 25.34 C ATOM 666 CD GLU A 59 -2.495 -7.008 10.271 1.00 13.53 C ATOM 667 OE1 GLU A 59 -3.565 -6.453 9.942 1.00 44.43 O ATOM 668 OE2 GLU A 59 -2.406 -8.227 10.525 1.00 12.11 O ATOM 0 H GLU A 59 0.073 -3.401 7.781 1.00 5.44 H new ATOM 0 HA GLU A 59 0.967 -5.857 9.115 1.00 64.31 H new ATOM 0 HB2 GLU A 59 -1.169 -4.188 9.536 1.00 55.02 H new ATOM 0 HB3 GLU A 59 -1.899 -5.385 8.485 1.00 55.02 H new ATOM 0 HG2 GLU A 59 -0.371 -6.807 10.432 1.00 25.34 H new ATOM 0 HG3 GLU A 59 -1.276 -5.574 11.289 1.00 25.34 H new ATOM 675 N THR A 60 -0.255 -7.541 7.466 1.00 20.33 N ATOM 676 CA THR A 60 -0.462 -8.497 6.385 1.00 13.43 C ATOM 677 C THR A 60 -1.912 -8.964 6.335 1.00 33.24 C ATOM 678 O THR A 60 -2.472 -9.388 7.346 1.00 63.41 O ATOM 679 CB THR A 60 0.456 -9.724 6.536 1.00 1.14 C ATOM 680 OG1 THR A 60 -0.295 -10.840 7.027 1.00 24.20 O ATOM 681 CG2 THR A 60 1.608 -9.425 7.484 1.00 14.34 C ATOM 0 H THR A 60 -0.371 -7.931 8.401 1.00 20.33 H new ATOM 0 HA THR A 60 -0.217 -7.982 5.456 1.00 13.43 H new ATOM 0 HB THR A 60 0.867 -9.966 5.556 1.00 1.14 H new ATOM 0 HG1 THR A 60 -0.452 -10.731 7.988 1.00 24.20 H new ATOM 0 HG21 THR A 60 2.243 -10.306 7.575 1.00 14.34 H new ATOM 0 HG22 THR A 60 2.195 -8.594 7.093 1.00 14.34 H new ATOM 0 HG23 THR A 60 1.213 -9.160 8.465 1.00 14.34 H new ATOM 689 N GLU A 61 -2.515 -8.884 5.153 1.00 22.31 N ATOM 690 CA GLU A 61 -3.901 -9.300 4.973 1.00 2.01 C ATOM 691 C GLU A 61 -4.095 -9.976 3.619 1.00 64.21 C ATOM 692 O GLU A 61 -4.375 -9.317 2.617 1.00 75.50 O ATOM 693 CB GLU A 61 -4.837 -8.096 5.093 1.00 53.12 C ATOM 694 CG GLU A 61 -6.291 -8.423 4.793 1.00 4.13 C ATOM 695 CD GLU A 61 -7.213 -8.096 5.952 1.00 41.13 C ATOM 696 OE1 GLU A 61 -7.117 -8.775 6.996 1.00 43.33 O ATOM 697 OE2 GLU A 61 -8.030 -7.162 5.815 1.00 74.24 O ATOM 0 H GLU A 61 -2.066 -8.535 4.306 1.00 22.31 H new ATOM 0 HA GLU A 61 -4.143 -10.019 5.756 1.00 2.01 H new ATOM 0 HB2 GLU A 61 -4.765 -7.690 6.102 1.00 53.12 H new ATOM 0 HB3 GLU A 61 -4.501 -7.315 4.411 1.00 53.12 H new ATOM 0 HG2 GLU A 61 -6.610 -7.867 3.911 1.00 4.13 H new ATOM 0 HG3 GLU A 61 -6.379 -9.482 4.551 1.00 4.13 H new ATOM 704 N THR A 62 -3.942 -11.297 3.596 1.00 1.31 N ATOM 705 CA THR A 62 -4.098 -12.063 2.366 1.00 2.02 C ATOM 706 C THR A 62 -5.512 -12.617 2.239 1.00 13.12 C ATOM 707 O THR A 62 -6.168 -12.908 3.239 1.00 43.41 O ATOM 708 CB THR A 62 -3.094 -13.229 2.300 1.00 70.50 C ATOM 709 OG1 THR A 62 -3.414 -14.208 3.295 1.00 73.43 O ATOM 710 CG2 THR A 62 -1.672 -12.732 2.510 1.00 22.10 C ATOM 0 H THR A 62 -3.710 -11.858 4.416 1.00 1.31 H new ATOM 0 HA THR A 62 -3.904 -11.379 1.540 1.00 2.02 H new ATOM 0 HB THR A 62 -3.161 -13.681 1.311 1.00 70.50 H new ATOM 0 HG1 THR A 62 -2.772 -14.947 3.245 1.00 73.43 H new ATOM 0 HG21 THR A 62 -0.981 -13.574 2.459 1.00 22.10 H new ATOM 0 HG22 THR A 62 -1.421 -12.009 1.734 1.00 22.10 H new ATOM 0 HG23 THR A 62 -1.593 -12.257 3.488 1.00 22.10 H new ATOM 718 N GLY A 63 -5.978 -12.761 1.002 1.00 64.50 N ATOM 719 CA GLY A 63 -7.312 -13.281 0.767 1.00 32.14 C ATOM 720 C GLY A 63 -7.340 -14.337 -0.320 1.00 33.35 C ATOM 721 O GLY A 63 -6.307 -14.663 -0.903 1.00 73.23 O ATOM 0 H GLY A 63 -5.455 -12.527 0.158 1.00 64.50 H new ATOM 0 HA2 GLY A 63 -7.701 -13.706 1.692 1.00 32.14 H new ATOM 0 HA3 GLY A 63 -7.975 -12.461 0.490 1.00 32.14 H new ATOM 725 N GLU A 64 -8.526 -14.874 -0.590 1.00 61.24 N ATOM 726 CA GLU A 64 -8.683 -15.902 -1.613 1.00 43.21 C ATOM 727 C GLU A 64 -8.641 -15.290 -3.010 1.00 43.33 C ATOM 728 O GLU A 64 -8.316 -15.965 -3.986 1.00 75.02 O ATOM 729 CB GLU A 64 -10.000 -16.655 -1.413 1.00 42.45 C ATOM 730 CG GLU A 64 -10.188 -17.817 -2.374 1.00 0.03 C ATOM 731 CD GLU A 64 -10.647 -19.082 -1.675 1.00 70.23 C ATOM 732 OE1 GLU A 64 -9.850 -19.658 -0.905 1.00 73.14 O ATOM 733 OE2 GLU A 64 -11.804 -19.496 -1.899 1.00 30.11 O ATOM 0 H GLU A 64 -9.391 -14.615 -0.115 1.00 61.24 H new ATOM 0 HA GLU A 64 -7.854 -16.603 -1.517 1.00 43.21 H new ATOM 0 HB2 GLU A 64 -10.043 -17.030 -0.390 1.00 42.45 H new ATOM 0 HB3 GLU A 64 -10.829 -15.958 -1.532 1.00 42.45 H new ATOM 0 HG2 GLU A 64 -10.919 -17.541 -3.134 1.00 0.03 H new ATOM 0 HG3 GLU A 64 -9.248 -18.012 -2.891 1.00 0.03 H new ATOM 740 N GLY A 65 -8.972 -14.005 -3.098 1.00 10.04 N ATOM 741 CA GLY A 65 -8.967 -13.323 -4.379 1.00 3.14 C ATOM 742 C GLY A 65 -7.645 -12.639 -4.666 1.00 22.02 C ATOM 743 O GLY A 65 -6.610 -13.295 -4.774 1.00 65.32 O ATOM 0 H GLY A 65 -9.244 -13.424 -2.305 1.00 10.04 H new ATOM 0 HA2 GLY A 65 -9.180 -14.041 -5.171 1.00 3.14 H new ATOM 0 HA3 GLY A 65 -9.767 -12.583 -4.396 1.00 3.14 H new ATOM 747 N ALA A 66 -7.680 -11.316 -4.791 1.00 64.41 N ATOM 748 CA ALA A 66 -6.475 -10.543 -5.067 1.00 72.33 C ATOM 749 C ALA A 66 -6.156 -9.595 -3.917 1.00 24.03 C ATOM 750 O ALA A 66 -5.730 -8.461 -4.134 1.00 61.15 O ATOM 751 CB ALA A 66 -6.633 -9.766 -6.366 1.00 31.21 C ATOM 0 H ALA A 66 -8.529 -10.758 -4.706 1.00 64.41 H new ATOM 0 HA ALA A 66 -5.642 -11.239 -5.171 1.00 72.33 H new ATOM 0 HB1 ALA A 66 -5.726 -9.193 -6.560 1.00 31.21 H new ATOM 0 HB2 ALA A 66 -6.806 -10.462 -7.187 1.00 31.21 H new ATOM 0 HB3 ALA A 66 -7.481 -9.086 -6.282 1.00 31.21 H new ATOM 757 N ALA A 67 -6.364 -10.067 -2.692 1.00 14.31 N ATOM 758 CA ALA A 67 -6.097 -9.261 -1.507 1.00 51.21 C ATOM 759 C ALA A 67 -4.636 -8.828 -1.456 1.00 22.03 C ATOM 760 O ALA A 67 -3.888 -9.020 -2.414 1.00 41.30 O ATOM 761 CB ALA A 67 -6.465 -10.034 -0.249 1.00 52.42 C ATOM 0 H ALA A 67 -6.717 -11.004 -2.494 1.00 14.31 H new ATOM 0 HA ALA A 67 -6.713 -8.363 -1.562 1.00 51.21 H new ATOM 0 HB1 ALA A 67 -6.260 -9.420 0.628 1.00 52.42 H new ATOM 0 HB2 ALA A 67 -7.525 -10.288 -0.275 1.00 52.42 H new ATOM 0 HB3 ALA A 67 -5.874 -10.948 -0.198 1.00 52.42 H new ATOM 767 N ALA A 68 -4.236 -8.243 -0.331 1.00 41.15 N ATOM 768 CA ALA A 68 -2.864 -7.784 -0.155 1.00 63.23 C ATOM 769 C ALA A 68 -2.498 -7.701 1.323 1.00 71.22 C ATOM 770 O ALA A 68 -2.098 -8.695 1.930 1.00 1.30 O ATOM 771 CB ALA A 68 -2.669 -6.432 -0.826 1.00 21.41 C ATOM 0 H ALA A 68 -4.843 -8.076 0.472 1.00 41.15 H new ATOM 0 HA ALA A 68 -2.201 -8.510 -0.626 1.00 63.23 H new ATOM 0 HB1 ALA A 68 -1.640 -6.102 -0.686 1.00 21.41 H new ATOM 0 HB2 ALA A 68 -2.880 -6.521 -1.892 1.00 21.41 H new ATOM 0 HB3 ALA A 68 -3.347 -5.704 -0.381 1.00 21.41 H new ATOM 777 N TYR A 69 -2.637 -6.511 1.896 1.00 53.12 N ATOM 778 CA TYR A 69 -2.318 -6.298 3.303 1.00 55.15 C ATOM 779 C TYR A 69 -2.957 -5.011 3.817 1.00 64.10 C ATOM 780 O TYR A 69 -3.865 -4.463 3.195 1.00 75.44 O ATOM 781 CB TYR A 69 -0.803 -6.243 3.501 1.00 22.50 C ATOM 782 CG TYR A 69 -0.181 -4.937 3.061 1.00 60.41 C ATOM 783 CD1 TYR A 69 -0.854 -4.081 2.198 1.00 11.02 C ATOM 784 CD2 TYR A 69 1.080 -4.560 3.507 1.00 74.12 C ATOM 785 CE1 TYR A 69 -0.290 -2.887 1.793 1.00 42.13 C ATOM 786 CE2 TYR A 69 1.651 -3.367 3.108 1.00 60.42 C ATOM 787 CZ TYR A 69 0.963 -2.534 2.251 1.00 74.44 C ATOM 788 OH TYR A 69 1.529 -1.346 1.850 1.00 60.13 O ATOM 0 H TYR A 69 -2.968 -5.679 1.408 1.00 53.12 H new ATOM 0 HA TYR A 69 -2.722 -7.135 3.872 1.00 55.15 H new ATOM 0 HB2 TYR A 69 -0.577 -6.407 4.555 1.00 22.50 H new ATOM 0 HB3 TYR A 69 -0.343 -7.060 2.946 1.00 22.50 H new ATOM 0 HD1 TYR A 69 -1.835 -4.354 1.838 1.00 11.02 H new ATOM 0 HD2 TYR A 69 1.623 -5.211 4.177 1.00 74.12 H new ATOM 0 HE1 TYR A 69 -0.827 -2.233 1.122 1.00 42.13 H new ATOM 0 HE2 TYR A 69 2.631 -3.088 3.465 1.00 60.42 H new ATOM 0 HH TYR A 69 0.959 -0.924 1.173 1.00 60.13 H new ATOM 798 N GLY A 70 -2.472 -4.533 4.959 1.00 21.33 N ATOM 799 CA GLY A 70 -3.005 -3.315 5.539 1.00 11.43 C ATOM 800 C GLY A 70 -1.921 -2.420 6.107 1.00 30.45 C ATOM 801 O GLY A 70 -0.833 -2.888 6.443 1.00 22.12 O ATOM 0 H GLY A 70 -1.719 -4.968 5.493 1.00 21.33 H new ATOM 0 HA2 GLY A 70 -3.562 -2.768 4.779 1.00 11.43 H new ATOM 0 HA3 GLY A 70 -3.711 -3.571 6.329 1.00 11.43 H new ATOM 805 N VAL A 71 -2.217 -1.129 6.214 1.00 10.15 N ATOM 806 CA VAL A 71 -1.259 -0.166 6.745 1.00 31.43 C ATOM 807 C VAL A 71 -1.858 0.623 7.904 1.00 40.11 C ATOM 808 O VAL A 71 -2.878 1.297 7.749 1.00 24.33 O ATOM 809 CB VAL A 71 -0.790 0.817 5.657 1.00 65.12 C ATOM 810 CG1 VAL A 71 -1.963 1.262 4.797 1.00 63.22 C ATOM 811 CG2 VAL A 71 -0.094 2.015 6.286 1.00 73.04 C ATOM 0 H VAL A 71 -3.113 -0.725 5.940 1.00 10.15 H new ATOM 0 HA VAL A 71 -0.402 -0.736 7.102 1.00 31.43 H new ATOM 0 HB VAL A 71 -0.073 0.306 5.014 1.00 65.12 H new ATOM 0 HG11 VAL A 71 -1.612 1.956 4.034 1.00 63.22 H new ATOM 0 HG12 VAL A 71 -2.413 0.393 4.317 1.00 63.22 H new ATOM 0 HG13 VAL A 71 -2.706 1.756 5.423 1.00 63.22 H new ATOM 0 HG21 VAL A 71 0.231 2.700 5.503 1.00 73.04 H new ATOM 0 HG22 VAL A 71 -0.786 2.529 6.953 1.00 73.04 H new ATOM 0 HG23 VAL A 71 0.772 1.676 6.854 1.00 73.04 H new ATOM 821 N LEU A 72 -1.218 0.536 9.065 1.00 51.42 N ATOM 822 CA LEU A 72 -1.687 1.244 10.251 1.00 21.35 C ATOM 823 C LEU A 72 -0.713 2.349 10.647 1.00 22.32 C ATOM 824 O LEU A 72 0.503 2.190 10.533 1.00 34.52 O ATOM 825 CB LEU A 72 -1.867 0.266 11.414 1.00 4.02 C ATOM 826 CG LEU A 72 -0.587 -0.166 12.131 1.00 33.53 C ATOM 827 CD1 LEU A 72 0.458 -0.626 11.127 1.00 22.31 C ATOM 828 CD2 LEU A 72 -0.045 0.970 12.986 1.00 21.31 C ATOM 0 H LEU A 72 -0.374 -0.017 9.210 1.00 51.42 H new ATOM 0 HA LEU A 72 -2.648 1.700 10.015 1.00 21.35 H new ATOM 0 HB2 LEU A 72 -2.534 0.722 12.146 1.00 4.02 H new ATOM 0 HB3 LEU A 72 -2.368 -0.626 11.038 1.00 4.02 H new ATOM 0 HG LEU A 72 -0.825 -1.004 12.786 1.00 33.53 H new ATOM 0 HD11 LEU A 72 1.362 -0.929 11.656 1.00 22.31 H new ATOM 0 HD12 LEU A 72 0.069 -1.471 10.558 1.00 22.31 H new ATOM 0 HD13 LEU A 72 0.693 0.192 10.446 1.00 22.31 H new ATOM 0 HD21 LEU A 72 0.866 0.645 13.489 1.00 21.31 H new ATOM 0 HD22 LEU A 72 0.177 1.828 12.352 1.00 21.31 H new ATOM 0 HD23 LEU A 72 -0.789 1.252 13.731 1.00 21.31 H new ATOM 840 N VAL A 73 -1.255 3.469 11.115 1.00 63.30 N ATOM 841 CA VAL A 73 -0.434 4.599 11.531 1.00 3.42 C ATOM 842 C VAL A 73 -1.191 5.502 12.498 1.00 13.22 C ATOM 843 O VAL A 73 -2.294 5.963 12.201 1.00 33.23 O ATOM 844 CB VAL A 73 0.027 5.434 10.321 1.00 24.34 C ATOM 845 CG1 VAL A 73 -1.171 6.009 9.582 1.00 44.14 C ATOM 846 CG2 VAL A 73 0.971 6.541 10.767 1.00 63.53 C ATOM 0 H VAL A 73 -2.259 3.618 11.215 1.00 63.30 H new ATOM 0 HA VAL A 73 0.441 4.186 12.033 1.00 3.42 H new ATOM 0 HB VAL A 73 0.567 4.781 9.635 1.00 24.34 H new ATOM 0 HG11 VAL A 73 -0.826 6.596 8.731 1.00 44.14 H new ATOM 0 HG12 VAL A 73 -1.805 5.196 9.229 1.00 44.14 H new ATOM 0 HG13 VAL A 73 -1.742 6.648 10.256 1.00 44.14 H new ATOM 0 HG21 VAL A 73 1.287 7.121 9.900 1.00 63.53 H new ATOM 0 HG22 VAL A 73 0.458 7.194 11.473 1.00 63.53 H new ATOM 0 HG23 VAL A 73 1.845 6.102 11.248 1.00 63.53 H new ATOM 856 N THR A 74 -0.592 5.753 13.658 1.00 31.13 N ATOM 857 CA THR A 74 -1.210 6.600 14.670 1.00 10.32 C ATOM 858 C THR A 74 -0.217 6.955 15.771 1.00 11.31 C ATOM 859 O THR A 74 0.865 7.475 15.500 1.00 43.24 O ATOM 860 CB THR A 74 -2.437 5.917 15.302 1.00 32.23 C ATOM 861 OG1 THR A 74 -3.234 5.302 14.284 1.00 72.11 O ATOM 862 CG2 THR A 74 -3.279 6.922 16.074 1.00 23.01 C ATOM 0 H THR A 74 0.321 5.381 13.920 1.00 31.13 H new ATOM 0 HA THR A 74 -1.531 7.512 14.166 1.00 10.32 H new ATOM 0 HB THR A 74 -2.083 5.155 15.996 1.00 32.23 H new ATOM 0 HG1 THR A 74 -3.206 5.849 13.472 1.00 72.11 H new ATOM 0 HG21 THR A 74 -4.140 6.416 16.511 1.00 23.01 H new ATOM 0 HG22 THR A 74 -2.678 7.367 16.867 1.00 23.01 H new ATOM 0 HG23 THR A 74 -3.623 7.704 15.397 1.00 23.01 H new ATOM 870 N ARG A 75 -0.592 6.671 17.014 1.00 61.41 N ATOM 871 CA ARG A 75 0.266 6.961 18.156 1.00 24.32 C ATOM 872 C ARG A 75 0.847 5.676 18.740 1.00 32.02 C ATOM 873 O ARG A 75 0.169 4.655 18.854 1.00 75.22 O ATOM 874 CB ARG A 75 -0.518 7.714 19.232 1.00 22.02 C ATOM 875 CG ARG A 75 0.094 9.054 19.606 1.00 50.34 C ATOM 876 CD ARG A 75 -0.867 9.895 20.432 1.00 72.42 C ATOM 877 NE ARG A 75 -2.043 10.296 19.664 1.00 64.14 N ATOM 878 CZ ARG A 75 -2.029 11.260 18.749 1.00 32.54 C ATOM 879 NH1 ARG A 75 -0.907 11.917 18.490 1.00 31.44 N ATOM 880 NH2 ARG A 75 -3.140 11.567 18.092 1.00 42.34 N ATOM 0 H ARG A 75 -1.484 6.240 17.256 1.00 61.41 H new ATOM 0 HA ARG A 75 1.089 7.587 17.811 1.00 24.32 H new ATOM 0 HB2 ARG A 75 -1.537 7.875 18.881 1.00 22.02 H new ATOM 0 HB3 ARG A 75 -0.583 7.092 20.125 1.00 22.02 H new ATOM 0 HG2 ARG A 75 1.013 8.891 20.169 1.00 50.34 H new ATOM 0 HG3 ARG A 75 0.367 9.596 18.700 1.00 50.34 H new ATOM 0 HD2 ARG A 75 -1.182 9.329 21.309 1.00 72.42 H new ATOM 0 HD3 ARG A 75 -0.351 10.784 20.795 1.00 72.42 H new ATOM 0 HE ARG A 75 -2.922 9.810 19.839 1.00 64.14 H new ATOM 0 HH11 ARG A 75 -0.051 11.683 18.993 1.00 31.44 H new ATOM 0 HH12 ARG A 75 -0.899 12.656 17.787 1.00 31.44 H new ATOM 0 HH21 ARG A 75 -4.005 11.063 18.289 1.00 42.34 H new ATOM 0 HH22 ARG A 75 -3.129 12.307 17.390 1.00 42.34 H new ATOM 894 N PRO A 76 2.132 5.726 19.119 1.00 4.03 N ATOM 895 CA PRO A 76 2.832 4.575 19.698 1.00 45.32 C ATOM 896 C PRO A 76 2.331 4.235 21.097 1.00 2.32 C ATOM 897 O PRO A 76 2.966 3.473 21.826 1.00 3.33 O ATOM 898 CB PRO A 76 4.291 5.037 19.750 1.00 60.12 C ATOM 899 CG PRO A 76 4.216 6.523 19.811 1.00 11.50 C ATOM 900 CD PRO A 76 3.001 6.910 19.013 1.00 25.00 C ATOM 0 HA PRO A 76 2.678 3.668 19.113 1.00 45.32 H new ATOM 0 HB2 PRO A 76 4.804 4.630 20.622 1.00 60.12 H new ATOM 0 HB3 PRO A 76 4.843 4.704 18.871 1.00 60.12 H new ATOM 0 HG2 PRO A 76 4.132 6.867 20.842 1.00 11.50 H new ATOM 0 HG3 PRO A 76 5.116 6.976 19.396 1.00 11.50 H new ATOM 0 HD2 PRO A 76 2.520 7.799 19.420 1.00 25.00 H new ATOM 0 HD3 PRO A 76 3.255 7.131 17.976 1.00 25.00 H new ATOM 908 N ASP A 77 1.189 4.804 21.466 1.00 51.52 N ATOM 909 CA ASP A 77 0.601 4.560 22.778 1.00 43.20 C ATOM 910 C ASP A 77 -0.417 3.426 22.715 1.00 41.02 C ATOM 911 O ASP A 77 -1.318 3.340 23.548 1.00 21.01 O ATOM 912 CB ASP A 77 -0.065 5.831 23.307 1.00 42.42 C ATOM 913 CG ASP A 77 0.882 6.681 24.132 1.00 32.42 C ATOM 914 OD1 ASP A 77 1.078 6.363 25.324 1.00 72.54 O ATOM 915 OD2 ASP A 77 1.426 7.664 23.587 1.00 31.10 O ATOM 0 H ASP A 77 0.652 5.438 20.875 1.00 51.52 H new ATOM 0 HA ASP A 77 1.401 4.269 23.458 1.00 43.20 H new ATOM 0 HB2 ASP A 77 -0.438 6.418 22.468 1.00 42.42 H new ATOM 0 HB3 ASP A 77 -0.928 5.559 23.915 1.00 42.42 H new ATOM 920 N GLY A 78 -0.267 2.558 21.719 1.00 32.41 N ATOM 921 CA GLY A 78 -1.181 1.441 21.565 1.00 53.11 C ATOM 922 C GLY A 78 -2.287 1.730 20.569 1.00 43.23 C ATOM 923 O GLY A 78 -2.963 0.816 20.096 1.00 23.42 O ATOM 0 H GLY A 78 0.471 2.608 21.016 1.00 32.41 H new ATOM 0 HA2 GLY A 78 -0.624 0.562 21.240 1.00 53.11 H new ATOM 0 HA3 GLY A 78 -1.621 1.200 22.532 1.00 53.11 H new ATOM 927 N THR A 79 -2.474 3.007 20.248 1.00 22.15 N ATOM 928 CA THR A 79 -3.507 3.415 19.305 1.00 63.44 C ATOM 929 C THR A 79 -2.946 3.530 17.892 1.00 42.31 C ATOM 930 O THR A 79 -2.000 4.280 17.649 1.00 60.11 O ATOM 931 CB THR A 79 -4.135 4.762 19.707 1.00 13.11 C ATOM 932 OG1 THR A 79 -5.101 5.164 18.729 1.00 64.02 O ATOM 933 CG2 THR A 79 -3.068 5.837 19.845 1.00 0.24 C ATOM 0 H THR A 79 -1.923 3.776 20.628 1.00 22.15 H new ATOM 0 HA THR A 79 -4.277 2.644 19.326 1.00 63.44 H new ATOM 0 HB THR A 79 -4.627 4.635 20.671 1.00 13.11 H new ATOM 0 HG1 THR A 79 -5.497 6.021 18.993 1.00 64.02 H new ATOM 0 HG21 THR A 79 -3.536 6.780 20.130 1.00 0.24 H new ATOM 0 HG22 THR A 79 -2.351 5.542 20.611 1.00 0.24 H new ATOM 0 HG23 THR A 79 -2.551 5.961 18.893 1.00 0.24 H new ATOM 941 N ARG A 80 -3.535 2.784 16.963 1.00 12.13 N ATOM 942 CA ARG A 80 -3.093 2.803 15.574 1.00 13.11 C ATOM 943 C ARG A 80 -4.284 2.723 14.624 1.00 53.34 C ATOM 944 O ARG A 80 -5.380 2.323 15.017 1.00 60.43 O ATOM 945 CB ARG A 80 -2.134 1.642 15.306 1.00 72.22 C ATOM 946 CG ARG A 80 -1.954 0.714 16.496 1.00 61.52 C ATOM 947 CD ARG A 80 -0.678 -0.105 16.375 1.00 32.41 C ATOM 948 NE ARG A 80 0.511 0.687 16.676 1.00 63.13 N ATOM 949 CZ ARG A 80 0.975 0.879 17.906 1.00 54.23 C ATOM 950 NH1 ARG A 80 0.352 0.339 18.944 1.00 10.12 N ATOM 951 NH2 ARG A 80 2.063 1.613 18.099 1.00 63.23 N ATOM 0 H ARG A 80 -4.320 2.159 17.147 1.00 12.13 H new ATOM 0 HA ARG A 80 -2.572 3.744 15.397 1.00 13.11 H new ATOM 0 HB2 ARG A 80 -2.504 1.065 14.458 1.00 72.22 H new ATOM 0 HB3 ARG A 80 -1.162 2.043 15.019 1.00 72.22 H new ATOM 0 HG2 ARG A 80 -1.926 1.300 17.415 1.00 61.52 H new ATOM 0 HG3 ARG A 80 -2.811 0.045 16.570 1.00 61.52 H new ATOM 0 HD2 ARG A 80 -0.728 -0.956 17.054 1.00 32.41 H new ATOM 0 HD3 ARG A 80 -0.600 -0.507 15.365 1.00 32.41 H new ATOM 0 HE ARG A 80 1.013 1.117 15.899 1.00 63.13 H new ATOM 0 HH11 ARG A 80 -0.485 -0.225 18.799 1.00 10.12 H new ATOM 0 HH12 ARG A 80 0.710 0.488 19.887 1.00 10.12 H new ATOM 0 HH21 ARG A 80 2.544 2.031 17.303 1.00 63.23 H new ATOM 0 HH22 ARG A 80 2.418 1.760 19.044 1.00 63.23 H new ATOM 965 N VAL A 81 -4.062 3.108 13.371 1.00 41.02 N ATOM 966 CA VAL A 81 -5.116 3.080 12.364 1.00 61.42 C ATOM 967 C VAL A 81 -4.762 2.130 11.225 1.00 53.13 C ATOM 968 O VAL A 81 -4.217 2.547 10.203 1.00 34.13 O ATOM 969 CB VAL A 81 -5.377 4.483 11.785 1.00 34.13 C ATOM 970 CG1 VAL A 81 -6.404 4.416 10.665 1.00 14.13 C ATOM 971 CG2 VAL A 81 -5.833 5.434 12.881 1.00 1.34 C ATOM 0 H VAL A 81 -3.161 3.443 13.029 1.00 41.02 H new ATOM 0 HA VAL A 81 -6.019 2.727 12.861 1.00 61.42 H new ATOM 0 HB VAL A 81 -4.445 4.865 11.368 1.00 34.13 H new ATOM 0 HG11 VAL A 81 -6.575 5.417 10.268 1.00 14.13 H new ATOM 0 HG12 VAL A 81 -6.034 3.769 9.870 1.00 14.13 H new ATOM 0 HG13 VAL A 81 -7.340 4.014 11.053 1.00 14.13 H new ATOM 0 HG21 VAL A 81 -6.013 6.421 12.455 1.00 1.34 H new ATOM 0 HG22 VAL A 81 -6.753 5.059 13.329 1.00 1.34 H new ATOM 0 HG23 VAL A 81 -5.060 5.505 13.646 1.00 1.34 H new ATOM 981 N GLU A 82 -5.077 0.851 11.408 1.00 2.51 N ATOM 982 CA GLU A 82 -4.791 -0.158 10.395 1.00 54.41 C ATOM 983 C GLU A 82 -5.806 -0.088 9.257 1.00 21.21 C ATOM 984 O GLU A 82 -7.010 -0.221 9.475 1.00 13.32 O ATOM 985 CB GLU A 82 -4.802 -1.555 11.018 1.00 71.12 C ATOM 986 CG GLU A 82 -4.531 -2.668 10.020 1.00 60.41 C ATOM 987 CD GLU A 82 -5.803 -3.240 9.424 1.00 23.42 C ATOM 988 OE1 GLU A 82 -6.739 -3.536 10.195 1.00 12.25 O ATOM 989 OE2 GLU A 82 -5.861 -3.392 8.186 1.00 60.21 O ATOM 0 H GLU A 82 -5.530 0.490 12.248 1.00 2.51 H new ATOM 0 HA GLU A 82 -3.800 0.042 9.988 1.00 54.41 H new ATOM 0 HB2 GLU A 82 -4.053 -1.597 11.809 1.00 71.12 H new ATOM 0 HB3 GLU A 82 -5.771 -1.727 11.487 1.00 71.12 H new ATOM 0 HG2 GLU A 82 -3.898 -2.286 9.219 1.00 60.41 H new ATOM 0 HG3 GLU A 82 -3.975 -3.465 10.513 1.00 60.41 H new ATOM 996 N VAL A 83 -5.310 0.121 8.042 1.00 41.23 N ATOM 997 CA VAL A 83 -6.172 0.208 6.869 1.00 64.02 C ATOM 998 C VAL A 83 -6.174 -1.103 6.090 1.00 11.15 C ATOM 999 O VAL A 83 -5.129 -1.724 5.895 1.00 5.43 O ATOM 1000 CB VAL A 83 -5.731 1.348 5.932 1.00 63.15 C ATOM 1001 CG1 VAL A 83 -6.846 1.702 4.960 1.00 61.25 C ATOM 1002 CG2 VAL A 83 -5.308 2.567 6.738 1.00 73.22 C ATOM 0 H VAL A 83 -4.316 0.233 7.844 1.00 41.23 H new ATOM 0 HA VAL A 83 -7.179 0.414 7.231 1.00 64.02 H new ATOM 0 HB VAL A 83 -4.872 1.008 5.354 1.00 63.15 H new ATOM 0 HG11 VAL A 83 -6.516 2.509 4.306 1.00 61.25 H new ATOM 0 HG12 VAL A 83 -7.096 0.828 4.359 1.00 61.25 H new ATOM 0 HG13 VAL A 83 -7.726 2.023 5.517 1.00 61.25 H new ATOM 0 HG21 VAL A 83 -5.000 3.363 6.060 1.00 73.22 H new ATOM 0 HG22 VAL A 83 -6.146 2.911 7.344 1.00 73.22 H new ATOM 0 HG23 VAL A 83 -4.475 2.302 7.389 1.00 73.22 H new ATOM 1012 N HIS A 84 -7.356 -1.519 5.647 1.00 30.31 N ATOM 1013 CA HIS A 84 -7.495 -2.757 4.888 1.00 30.11 C ATOM 1014 C HIS A 84 -7.409 -2.488 3.389 1.00 44.21 C ATOM 1015 O HIS A 84 -8.234 -1.765 2.829 1.00 43.22 O ATOM 1016 CB HIS A 84 -8.824 -3.437 5.220 1.00 25.31 C ATOM 1017 CG HIS A 84 -9.218 -3.311 6.659 1.00 22.15 C ATOM 1018 ND1 HIS A 84 -9.019 -4.314 7.585 1.00 3.30 N ATOM 1019 CD2 HIS A 84 -9.801 -2.291 7.331 1.00 32.24 C ATOM 1020 CE1 HIS A 84 -9.464 -3.917 8.764 1.00 52.44 C ATOM 1021 NE2 HIS A 84 -9.944 -2.692 8.637 1.00 63.40 N ATOM 0 H HIS A 84 -8.231 -1.018 5.800 1.00 30.31 H new ATOM 0 HA HIS A 84 -6.676 -3.420 5.168 1.00 30.11 H new ATOM 0 HB2 HIS A 84 -9.609 -3.006 4.598 1.00 25.31 H new ATOM 0 HB3 HIS A 84 -8.757 -4.494 4.961 1.00 25.31 H new ATOM 0 HD1 HIS A 84 -8.595 -5.221 7.390 1.00 3.30 H new ATOM 0 HD2 HIS A 84 -10.098 -1.339 6.917 1.00 32.24 H new ATOM 0 HE1 HIS A 84 -9.440 -4.495 9.676 1.00 52.44 H new ATOM 1029 N LEU A 85 -6.405 -3.073 2.745 1.00 43.43 N ATOM 1030 CA LEU A 85 -6.210 -2.895 1.310 1.00 63.22 C ATOM 1031 C LEU A 85 -6.216 -4.240 0.589 1.00 3.42 C ATOM 1032 O LEU A 85 -5.222 -4.966 0.601 1.00 22.14 O ATOM 1033 CB LEU A 85 -4.893 -2.165 1.041 1.00 62.24 C ATOM 1034 CG LEU A 85 -4.195 -1.566 2.262 1.00 32.55 C ATOM 1035 CD1 LEU A 85 -2.917 -0.852 1.851 1.00 72.21 C ATOM 1036 CD2 LEU A 85 -5.128 -0.614 2.996 1.00 53.02 C ATOM 0 H LEU A 85 -5.714 -3.674 3.193 1.00 43.43 H new ATOM 0 HA LEU A 85 -7.035 -2.295 0.928 1.00 63.22 H new ATOM 0 HB2 LEU A 85 -4.206 -2.862 0.561 1.00 62.24 H new ATOM 0 HB3 LEU A 85 -5.084 -1.363 0.328 1.00 62.24 H new ATOM 0 HG LEU A 85 -3.930 -2.378 2.939 1.00 32.55 H new ATOM 0 HD11 LEU A 85 -2.435 -0.432 2.734 1.00 72.21 H new ATOM 0 HD12 LEU A 85 -2.242 -1.561 1.371 1.00 72.21 H new ATOM 0 HD13 LEU A 85 -3.157 -0.050 1.153 1.00 72.21 H new ATOM 0 HD21 LEU A 85 -4.614 -0.197 3.862 1.00 53.02 H new ATOM 0 HD22 LEU A 85 -5.424 0.193 2.326 1.00 53.02 H new ATOM 0 HD23 LEU A 85 -6.015 -1.156 3.326 1.00 53.02 H new ATOM 1048 N ASP A 86 -7.340 -4.563 -0.039 1.00 75.11 N ATOM 1049 CA ASP A 86 -7.475 -5.819 -0.768 1.00 40.35 C ATOM 1050 C ASP A 86 -8.258 -5.615 -2.061 1.00 55.14 C ATOM 1051 O ASP A 86 -9.323 -4.996 -2.063 1.00 3.02 O ATOM 1052 CB ASP A 86 -8.168 -6.867 0.103 1.00 72.54 C ATOM 1053 CG ASP A 86 -7.499 -7.033 1.453 1.00 64.03 C ATOM 1054 OD1 ASP A 86 -6.258 -6.905 1.519 1.00 73.31 O ATOM 1055 OD2 ASP A 86 -8.215 -7.291 2.443 1.00 63.21 O ATOM 0 H ASP A 86 -8.172 -3.973 -0.058 1.00 75.11 H new ATOM 0 HA ASP A 86 -6.476 -6.173 -1.022 1.00 40.35 H new ATOM 0 HB2 ASP A 86 -9.210 -6.582 0.250 1.00 72.54 H new ATOM 0 HB3 ASP A 86 -8.170 -7.824 -0.418 1.00 72.54 H new ATOM 1060 N ARG A 87 -7.724 -6.139 -3.160 1.00 13.41 N ATOM 1061 CA ARG A 87 -8.372 -6.012 -4.460 1.00 33.03 C ATOM 1062 C ARG A 87 -9.745 -6.678 -4.450 1.00 60.30 C ATOM 1063 O ARG A 87 -10.360 -6.871 -5.499 1.00 40.10 O ATOM 1064 CB ARG A 87 -7.499 -6.634 -5.551 1.00 54.13 C ATOM 1065 CG ARG A 87 -7.560 -5.892 -6.876 1.00 53.14 C ATOM 1066 CD ARG A 87 -8.351 -6.671 -7.915 1.00 72.24 C ATOM 1067 NE ARG A 87 -8.453 -5.949 -9.181 1.00 13.25 N ATOM 1068 CZ ARG A 87 -8.794 -6.523 -10.329 1.00 14.40 C ATOM 1069 NH1 ARG A 87 -9.065 -7.820 -10.371 1.00 51.11 N ATOM 1070 NH2 ARG A 87 -8.866 -5.798 -11.438 1.00 63.35 N ATOM 0 H ARG A 87 -6.844 -6.655 -3.176 1.00 13.41 H new ATOM 0 HA ARG A 87 -8.504 -4.951 -4.671 1.00 33.03 H new ATOM 0 HB2 ARG A 87 -6.465 -6.661 -5.206 1.00 54.13 H new ATOM 0 HB3 ARG A 87 -7.809 -7.667 -5.708 1.00 54.13 H new ATOM 0 HG2 ARG A 87 -8.018 -4.914 -6.726 1.00 53.14 H new ATOM 0 HG3 ARG A 87 -6.549 -5.717 -7.243 1.00 53.14 H new ATOM 0 HD2 ARG A 87 -7.873 -7.636 -8.086 1.00 72.24 H new ATOM 0 HD3 ARG A 87 -9.351 -6.874 -7.532 1.00 72.24 H new ATOM 0 HE ARG A 87 -8.251 -4.949 -9.183 1.00 13.25 H new ATOM 0 HH11 ARG A 87 -9.012 -8.380 -9.520 1.00 51.11 H new ATOM 0 HH12 ARG A 87 -9.327 -8.258 -11.254 1.00 51.11 H new ATOM 0 HH21 ARG A 87 -8.659 -4.800 -11.409 1.00 63.35 H new ATOM 0 HH22 ARG A 87 -9.128 -6.239 -12.320 1.00 63.35 H new ATOM 1084 N ASP A 88 -10.218 -7.028 -3.259 1.00 75.22 N ATOM 1085 CA ASP A 88 -11.518 -7.673 -3.113 1.00 15.55 C ATOM 1086 C ASP A 88 -12.643 -6.729 -3.530 1.00 24.43 C ATOM 1087 O ASP A 88 -13.809 -7.121 -3.582 1.00 24.31 O ATOM 1088 CB ASP A 88 -11.727 -8.126 -1.667 1.00 4.13 C ATOM 1089 CG ASP A 88 -12.035 -9.607 -1.563 1.00 13.40 C ATOM 1090 OD1 ASP A 88 -11.304 -10.410 -2.180 1.00 35.01 O ATOM 1091 OD2 ASP A 88 -13.007 -9.962 -0.864 1.00 71.02 O ATOM 0 H ASP A 88 -9.721 -6.876 -2.381 1.00 75.22 H new ATOM 0 HA ASP A 88 -11.538 -8.546 -3.766 1.00 15.55 H new ATOM 0 HB2 ASP A 88 -10.832 -7.902 -1.086 1.00 4.13 H new ATOM 0 HB3 ASP A 88 -12.544 -7.556 -1.225 1.00 4.13 H new ATOM 1096 N PHE A 89 -12.284 -5.484 -3.825 1.00 34.20 N ATOM 1097 CA PHE A 89 -13.263 -4.484 -4.236 1.00 30.15 C ATOM 1098 C PHE A 89 -14.090 -4.011 -3.044 1.00 31.13 C ATOM 1099 O PHE A 89 -15.054 -3.262 -3.202 1.00 33.23 O ATOM 1100 CB PHE A 89 -14.184 -5.055 -5.316 1.00 13.32 C ATOM 1101 CG PHE A 89 -13.464 -5.882 -6.342 1.00 33.32 C ATOM 1102 CD1 PHE A 89 -12.501 -5.313 -7.159 1.00 12.31 C ATOM 1103 CD2 PHE A 89 -13.751 -7.230 -6.489 1.00 52.25 C ATOM 1104 CE1 PHE A 89 -11.837 -6.071 -8.104 1.00 25.52 C ATOM 1105 CE2 PHE A 89 -13.089 -7.994 -7.432 1.00 55.43 C ATOM 1106 CZ PHE A 89 -12.132 -7.414 -8.241 1.00 41.53 C ATOM 0 H PHE A 89 -11.323 -5.144 -3.787 1.00 34.20 H new ATOM 0 HA PHE A 89 -12.723 -3.629 -4.644 1.00 30.15 H new ATOM 0 HB2 PHE A 89 -14.951 -5.667 -4.842 1.00 13.32 H new ATOM 0 HB3 PHE A 89 -14.696 -4.233 -5.817 1.00 13.32 H new ATOM 0 HD1 PHE A 89 -12.266 -4.264 -7.056 1.00 12.31 H new ATOM 0 HD2 PHE A 89 -14.500 -7.688 -5.860 1.00 52.25 H new ATOM 0 HE1 PHE A 89 -11.088 -5.615 -8.735 1.00 25.52 H new ATOM 0 HE2 PHE A 89 -13.320 -9.044 -7.536 1.00 55.43 H new ATOM 0 HZ PHE A 89 -11.615 -8.009 -8.979 1.00 41.53 H new ATOM 1116 N ARG A 90 -13.706 -4.455 -1.851 1.00 41.42 N ATOM 1117 CA ARG A 90 -14.412 -4.079 -0.632 1.00 52.24 C ATOM 1118 C ARG A 90 -13.433 -3.850 0.515 1.00 44.21 C ATOM 1119 O ARG A 90 -13.837 -3.668 1.663 1.00 21.15 O ATOM 1120 CB ARG A 90 -15.421 -5.163 -0.247 1.00 41.44 C ATOM 1121 CG ARG A 90 -16.658 -5.185 -1.131 1.00 24.04 C ATOM 1122 CD ARG A 90 -17.413 -3.867 -1.066 1.00 4.45 C ATOM 1123 NE ARG A 90 -18.827 -4.029 -1.390 1.00 33.55 N ATOM 1124 CZ ARG A 90 -19.667 -3.012 -1.546 1.00 72.34 C ATOM 1125 NH1 ARG A 90 -19.237 -1.766 -1.410 1.00 44.31 N ATOM 1126 NH2 ARG A 90 -20.941 -3.241 -1.841 1.00 24.13 N ATOM 0 H ARG A 90 -12.910 -5.075 -1.703 1.00 41.42 H new ATOM 0 HA ARG A 90 -14.945 -3.147 -0.823 1.00 52.24 H new ATOM 0 HB2 ARG A 90 -14.932 -6.136 -0.296 1.00 41.44 H new ATOM 0 HB3 ARG A 90 -15.727 -5.012 0.788 1.00 41.44 H new ATOM 0 HG2 ARG A 90 -16.366 -5.388 -2.161 1.00 24.04 H new ATOM 0 HG3 ARG A 90 -17.315 -5.997 -0.820 1.00 24.04 H new ATOM 0 HD2 ARG A 90 -17.317 -3.443 -0.066 1.00 4.45 H new ATOM 0 HD3 ARG A 90 -16.962 -3.156 -1.758 1.00 4.45 H new ATOM 0 HE ARG A 90 -19.190 -4.975 -1.503 1.00 33.55 H new ATOM 0 HH11 ARG A 90 -18.259 -1.586 -1.185 1.00 44.31 H new ATOM 0 HH12 ARG A 90 -19.884 -0.987 -1.530 1.00 44.31 H new ATOM 0 HH21 ARG A 90 -21.276 -4.199 -1.948 1.00 24.13 H new ATOM 0 HH22 ARG A 90 -21.585 -2.459 -1.961 1.00 24.13 H new ATOM 1140 N VAL A 91 -12.142 -3.861 0.196 1.00 53.53 N ATOM 1141 CA VAL A 91 -11.105 -3.654 1.199 1.00 2.40 C ATOM 1142 C VAL A 91 -10.282 -2.408 0.890 1.00 41.02 C ATOM 1143 O VAL A 91 -9.108 -2.500 0.528 1.00 52.14 O ATOM 1144 CB VAL A 91 -10.162 -4.868 1.291 1.00 73.43 C ATOM 1145 CG1 VAL A 91 -9.159 -4.682 2.419 1.00 71.23 C ATOM 1146 CG2 VAL A 91 -10.961 -6.149 1.483 1.00 52.45 C ATOM 0 H VAL A 91 -11.790 -4.011 -0.750 1.00 53.53 H new ATOM 0 HA VAL A 91 -11.612 -3.524 2.155 1.00 2.40 H new ATOM 0 HB VAL A 91 -9.609 -4.948 0.355 1.00 73.43 H new ATOM 0 HG11 VAL A 91 -8.502 -5.550 2.468 1.00 71.23 H new ATOM 0 HG12 VAL A 91 -8.565 -3.787 2.234 1.00 71.23 H new ATOM 0 HG13 VAL A 91 -9.691 -4.576 3.365 1.00 71.23 H new ATOM 0 HG21 VAL A 91 -10.279 -6.997 1.546 1.00 52.45 H new ATOM 0 HG22 VAL A 91 -11.542 -6.081 2.403 1.00 52.45 H new ATOM 0 HG23 VAL A 91 -11.635 -6.287 0.638 1.00 52.45 H new ATOM 1156 N LEU A 92 -10.904 -1.244 1.035 1.00 14.52 N ATOM 1157 CA LEU A 92 -10.230 0.023 0.772 1.00 24.20 C ATOM 1158 C LEU A 92 -10.417 0.992 1.935 1.00 23.43 C ATOM 1159 O LEU A 92 -10.093 2.175 1.829 1.00 24.42 O ATOM 1160 CB LEU A 92 -10.762 0.648 -0.518 1.00 50.53 C ATOM 1161 CG LEU A 92 -11.292 -0.328 -1.569 1.00 31.02 C ATOM 1162 CD1 LEU A 92 -12.813 -0.351 -1.557 1.00 23.32 C ATOM 1163 CD2 LEU A 92 -10.773 0.042 -2.951 1.00 34.23 C ATOM 0 H LEU A 92 -11.875 -1.151 1.334 1.00 14.52 H new ATOM 0 HA LEU A 92 -9.165 -0.178 0.659 1.00 24.20 H new ATOM 0 HB2 LEU A 92 -11.562 1.341 -0.259 1.00 50.53 H new ATOM 0 HB3 LEU A 92 -9.963 1.237 -0.969 1.00 50.53 H new ATOM 0 HG LEU A 92 -10.932 -1.327 -1.324 1.00 31.02 H new ATOM 0 HD11 LEU A 92 -13.172 -1.051 -2.311 1.00 23.32 H new ATOM 0 HD12 LEU A 92 -13.164 -0.665 -0.574 1.00 23.32 H new ATOM 0 HD13 LEU A 92 -13.194 0.646 -1.777 1.00 23.32 H new ATOM 0 HD21 LEU A 92 -11.160 -0.663 -3.686 1.00 34.23 H new ATOM 0 HD22 LEU A 92 -11.103 1.049 -3.206 1.00 34.23 H new ATOM 0 HD23 LEU A 92 -9.684 0.006 -2.952 1.00 34.23 H new ATOM 1175 N ASP A 93 -10.939 0.481 3.045 1.00 54.41 N ATOM 1176 CA ASP A 93 -11.167 1.301 4.230 1.00 65.52 C ATOM 1177 C ASP A 93 -10.187 0.933 5.340 1.00 13.13 C ATOM 1178 O ASP A 93 -9.346 0.049 5.174 1.00 3.53 O ATOM 1179 CB ASP A 93 -12.604 1.132 4.724 1.00 11.52 C ATOM 1180 CG ASP A 93 -13.362 2.445 4.757 1.00 73.12 C ATOM 1181 OD1 ASP A 93 -12.730 3.490 5.019 1.00 21.54 O ATOM 1182 OD2 ASP A 93 -14.588 2.428 4.519 1.00 61.40 O ATOM 0 H ASP A 93 -11.212 -0.496 3.149 1.00 54.41 H new ATOM 0 HA ASP A 93 -11.006 2.344 3.958 1.00 65.52 H new ATOM 0 HB2 ASP A 93 -13.128 0.429 4.076 1.00 11.52 H new ATOM 0 HB3 ASP A 93 -12.593 0.697 5.723 1.00 11.52 H new ATOM 1187 N THR A 94 -10.302 1.618 6.474 1.00 22.11 N ATOM 1188 CA THR A 94 -9.426 1.366 7.611 1.00 21.42 C ATOM 1189 C THR A 94 -10.232 1.092 8.876 1.00 63.11 C ATOM 1190 O THR A 94 -11.451 1.259 8.894 1.00 44.21 O ATOM 1191 CB THR A 94 -8.480 2.554 7.866 1.00 2.12 C ATOM 1192 OG1 THR A 94 -7.536 2.218 8.889 1.00 2.21 O ATOM 1193 CG2 THR A 94 -9.264 3.791 8.279 1.00 64.13 C ATOM 0 H THR A 94 -10.994 2.352 6.629 1.00 22.11 H new ATOM 0 HA THR A 94 -8.833 0.486 7.364 1.00 21.42 H new ATOM 0 HB THR A 94 -7.949 2.772 6.940 1.00 2.12 H new ATOM 0 HG1 THR A 94 -7.893 2.481 9.763 1.00 2.21 H new ATOM 0 HG21 THR A 94 -8.575 4.617 8.454 1.00 64.13 H new ATOM 0 HG22 THR A 94 -9.961 4.062 7.486 1.00 64.13 H new ATOM 0 HG23 THR A 94 -9.819 3.582 9.194 1.00 64.13 H new ATOM 1201 N GLU A 95 -9.542 0.671 9.932 1.00 54.11 N ATOM 1202 CA GLU A 95 -10.196 0.374 11.201 1.00 11.42 C ATOM 1203 C GLU A 95 -9.300 0.754 12.376 1.00 21.15 C ATOM 1204 O GLU A 95 -8.083 0.888 12.244 1.00 32.11 O ATOM 1205 CB GLU A 95 -10.557 -1.110 11.280 1.00 70.54 C ATOM 1206 CG GLU A 95 -11.884 -1.450 10.621 1.00 2.15 C ATOM 1207 CD GLU A 95 -12.258 -2.910 10.783 1.00 72.52 C ATOM 1208 OE1 GLU A 95 -11.415 -3.687 11.278 1.00 63.35 O ATOM 1209 OE2 GLU A 95 -13.394 -3.277 10.414 1.00 3.33 O ATOM 0 H GLU A 95 -8.532 0.528 9.934 1.00 54.11 H new ATOM 0 HA GLU A 95 -11.110 0.966 11.256 1.00 11.42 H new ATOM 0 HB2 GLU A 95 -9.766 -1.693 10.808 1.00 70.54 H new ATOM 0 HB3 GLU A 95 -10.593 -1.411 12.327 1.00 70.54 H new ATOM 0 HG2 GLU A 95 -12.669 -0.828 11.051 1.00 2.15 H new ATOM 0 HG3 GLU A 95 -11.831 -1.208 9.560 1.00 2.15 H new ATOM 1216 N PRO A 96 -9.915 0.932 13.555 1.00 4.32 N ATOM 1217 CA PRO A 96 -9.192 1.299 14.777 1.00 34.01 C ATOM 1218 C PRO A 96 -8.316 0.164 15.295 1.00 23.10 C ATOM 1219 O PRO A 96 -8.816 -0.823 15.833 1.00 61.52 O ATOM 1220 CB PRO A 96 -10.314 1.606 15.773 1.00 25.11 C ATOM 1221 CG PRO A 96 -11.480 0.818 15.285 1.00 51.52 C ATOM 1222 CD PRO A 96 -11.362 0.789 13.786 1.00 1.31 C ATOM 0 HA PRO A 96 -8.509 2.132 14.612 1.00 34.01 H new ATOM 0 HB2 PRO A 96 -10.035 1.315 16.786 1.00 25.11 H new ATOM 0 HB3 PRO A 96 -10.540 2.672 15.799 1.00 25.11 H new ATOM 0 HG2 PRO A 96 -11.469 -0.191 15.697 1.00 51.52 H new ATOM 0 HG3 PRO A 96 -12.419 1.278 15.594 1.00 51.52 H new ATOM 0 HD2 PRO A 96 -11.745 -0.143 13.371 1.00 1.31 H new ATOM 0 HD3 PRO A 96 -11.925 1.599 13.323 1.00 1.31 H new ATOM 1230 N ALA A 97 -7.005 0.312 15.130 1.00 73.24 N ATOM 1231 CA ALA A 97 -6.059 -0.700 15.583 1.00 71.01 C ATOM 1232 C ALA A 97 -5.886 -0.651 17.097 1.00 12.22 C ATOM 1233 O ALA A 97 -5.341 0.312 17.638 1.00 35.44 O ATOM 1234 CB ALA A 97 -4.717 -0.516 14.890 1.00 11.42 C ATOM 0 H ALA A 97 -6.575 1.123 14.686 1.00 73.24 H new ATOM 0 HA ALA A 97 -6.459 -1.679 15.321 1.00 71.01 H new ATOM 0 HB1 ALA A 97 -4.020 -1.279 15.238 1.00 11.42 H new ATOM 0 HB2 ALA A 97 -4.848 -0.609 13.812 1.00 11.42 H new ATOM 0 HB3 ALA A 97 -4.320 0.472 15.123 1.00 11.42 H new ATOM 1240 N ASP A 98 -6.354 -1.693 17.775 1.00 4.05 N ATOM 1241 CA ASP A 98 -6.250 -1.769 19.228 1.00 12.51 C ATOM 1242 C ASP A 98 -4.903 -2.348 19.648 1.00 60.34 C ATOM 1243 O ASP A 98 -4.666 -2.604 20.827 1.00 2.44 O ATOM 1244 CB ASP A 98 -7.386 -2.620 19.798 1.00 64.20 C ATOM 1245 CG ASP A 98 -8.672 -1.835 19.963 1.00 41.12 C ATOM 1246 OD1 ASP A 98 -8.605 -0.589 20.010 1.00 44.52 O ATOM 1247 OD2 ASP A 98 -9.746 -2.466 20.044 1.00 61.52 O ATOM 0 H ASP A 98 -6.809 -2.497 17.342 1.00 4.05 H new ATOM 0 HA ASP A 98 -6.329 -0.757 19.626 1.00 12.51 H new ATOM 0 HB2 ASP A 98 -7.565 -3.470 19.139 1.00 64.20 H new ATOM 0 HB3 ASP A 98 -7.084 -3.024 20.764 1.00 64.20 H new ATOM 1252 N GLY A 99 -4.023 -2.555 18.672 1.00 55.11 N ATOM 1253 CA GLY A 99 -2.712 -3.104 18.960 1.00 65.31 C ATOM 1254 C GLY A 99 -2.741 -4.608 19.146 1.00 21.41 C ATOM 1255 O GLY A 99 -1.715 -5.277 19.017 1.00 11.21 O ATOM 0 H GLY A 99 -4.196 -2.352 17.687 1.00 55.11 H new ATOM 0 HA2 GLY A 99 -2.031 -2.855 18.147 1.00 65.31 H new ATOM 0 HA3 GLY A 99 -2.316 -2.637 19.862 1.00 65.31 H new ATOM 1259 N ASP A 100 -3.918 -5.142 19.452 1.00 74.03 N ATOM 1260 CA ASP A 100 -4.077 -6.577 19.657 1.00 74.11 C ATOM 1261 C ASP A 100 -4.643 -7.245 18.408 1.00 60.34 C ATOM 1262 O ASP A 100 -4.321 -8.393 18.105 1.00 25.43 O ATOM 1263 CB ASP A 100 -4.993 -6.845 20.852 1.00 11.44 C ATOM 1264 CG ASP A 100 -4.421 -7.882 21.799 1.00 54.31 C ATOM 1265 OD1 ASP A 100 -3.279 -7.693 22.265 1.00 2.45 O ATOM 1266 OD2 ASP A 100 -5.116 -8.883 22.072 1.00 13.14 O ATOM 0 H ASP A 100 -4.776 -4.603 19.564 1.00 74.03 H new ATOM 0 HA ASP A 100 -3.094 -7.001 19.860 1.00 74.11 H new ATOM 0 HB2 ASP A 100 -5.159 -5.914 21.394 1.00 11.44 H new ATOM 0 HB3 ASP A 100 -5.965 -7.182 20.492 1.00 11.44 H new ATOM 1271 N GLY A 101 -5.490 -6.518 17.685 1.00 1.12 N ATOM 1272 CA GLY A 101 -6.088 -7.057 16.478 1.00 61.11 C ATOM 1273 C GLY A 101 -7.292 -7.932 16.768 1.00 45.22 C ATOM 1274 O GLY A 101 -7.636 -8.808 15.976 1.00 53.32 O ATOM 0 H GLY A 101 -5.772 -5.565 17.914 1.00 1.12 H new ATOM 0 HA2 GLY A 101 -6.388 -6.236 15.827 1.00 61.11 H new ATOM 0 HA3 GLY A 101 -5.343 -7.638 15.935 1.00 61.11 H new ATOM 1278 N GLY A 102 -7.932 -7.695 17.909 1.00 74.14 N ATOM 1279 CA GLY A 102 -9.096 -8.478 18.282 1.00 52.32 C ATOM 1280 C GLY A 102 -9.889 -7.838 19.404 1.00 31.33 C ATOM 1281 O GLY A 102 -10.198 -8.488 20.403 1.00 2.23 O ATOM 0 H GLY A 102 -7.666 -6.976 18.581 1.00 74.14 H new ATOM 0 HA2 GLY A 102 -9.740 -8.603 17.412 1.00 52.32 H new ATOM 0 HA3 GLY A 102 -8.777 -9.474 18.589 1.00 52.32 H new