USER MOD reduce.3.24.130724 H: found=0, std=0, add=711, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 703 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 90 HIS : no HD1:sc= -1.6 K(o=-2.8,f=0.68) USER MOD Set 1.2: A 92 HIS : no HD1:sc= -1.22 K(o=-2.8,f=-0.068) USER MOD Set 2.1: A 89 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 91 HIS : no HE2:sc= 0.346 K(o=0.35,f=-1.3) USER MOD Set 3.1: A 23 SER OG : rot -160:sc= 0 USER MOD Set 3.2: A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 HIS : no HD1:sc= -0.067 X(o=-0.067,f=0) USER MOD Single : A 3 THR OG1 : rot 122:sc= 1.05 USER MOD Single : A 4 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 GLN : amide:sc= -0.391 K(o=-0.39,f=-2.5) USER MOD Single : A 8 CYS SG : rot -107:sc= 1.17 USER MOD Single : A 9 SER OG : rot 180:sc= -0.0358 USER MOD Single : A 13 GLN : amide:sc= -0.124 K(o=-0.12,f=-0.7) USER MOD Single : A 15 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0105) USER MOD Single : A 16 SER OG : rot 180:sc= 0.00321 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0355 USER MOD Single : A 24 THR OG1 : rot 114:sc= 1.25 USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 ASN : amide:sc= -1.27 K(o=-1.3,f=-11!) USER MOD Single : A 32 CYS SG : rot -95:sc= -0.438 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= -0.947 K(o=-0.95,f=0) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot -174:sc= -2.62! USER MOD Single : A 58 GLN : amide:sc= -0.728 K(o=-0.73,f=-4.7!) USER MOD Single : A 59 THR OG1 : rot 80:sc= 1.28 USER MOD Single : A 62 SER OG : rot 78:sc= 1.01 USER MOD Single : A 65 ASN : amide:sc= 1.31 K(o=1.3,f=-0.096) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 HIS : no HD1:sc= 0 X(o=0,f=-0.006) USER MOD Single : A 78 GLN : amide:sc= -0.0378 X(o=-0.038,f=-0.41) USER MOD Single : A 79 GLN : amide:sc=-0.00916 K(o=-0.0092,f=-0.96) USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 86 THR OG1 : rot 180:sc= -0.0405 USER MOD Single : A 93 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 94 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 95 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 88.511 17.716 -3.221 1.00 0.00 N ATOM 2 CA MET A 1 87.528 18.720 -2.795 1.00 0.00 C ATOM 3 C MET A 1 86.128 18.267 -3.177 1.00 0.00 C ATOM 4 O MET A 1 85.244 18.154 -2.322 1.00 0.00 O ATOM 5 CB MET A 1 87.840 20.080 -3.417 1.00 0.00 C ATOM 6 CG MET A 1 86.929 21.200 -2.951 1.00 0.00 C ATOM 7 SD MET A 1 86.949 21.392 -1.161 1.00 0.00 S ATOM 8 CE MET A 1 85.853 22.792 -0.973 1.00 0.00 C ATOM 0 H1 MET A 1 89.466 18.031 -2.957 1.00 0.00 H new ATOM 0 H2 MET A 1 88.305 16.809 -2.756 1.00 0.00 H new ATOM 0 H3 MET A 1 88.459 17.595 -4.253 1.00 0.00 H new ATOM 0 HA MET A 1 87.582 18.825 -1.711 1.00 0.00 H new ATOM 0 HB2 MET A 1 88.871 20.345 -3.185 1.00 0.00 H new ATOM 0 HB3 MET A 1 87.769 19.996 -4.501 1.00 0.00 H new ATOM 0 HG2 MET A 1 87.237 22.135 -3.419 1.00 0.00 H new ATOM 0 HG3 MET A 1 85.910 20.999 -3.282 1.00 0.00 H new ATOM 0 HE1 MET A 1 85.758 23.040 0.084 1.00 0.00 H new ATOM 0 HE2 MET A 1 86.260 23.648 -1.511 1.00 0.00 H new ATOM 0 HE3 MET A 1 84.872 22.543 -1.377 1.00 0.00 H new ATOM 20 N HIS A 2 85.914 18.033 -4.446 1.00 0.00 N ATOM 21 CA HIS A 2 84.678 17.470 -4.914 1.00 0.00 C ATOM 22 C HIS A 2 84.942 16.046 -5.312 1.00 0.00 C ATOM 23 O HIS A 2 85.433 15.761 -6.403 1.00 0.00 O ATOM 24 CB HIS A 2 84.053 18.276 -6.067 1.00 0.00 C ATOM 25 CG HIS A 2 83.510 19.621 -5.655 1.00 0.00 C ATOM 26 ND1 HIS A 2 82.175 19.869 -5.434 1.00 0.00 N ATOM 27 CD2 HIS A 2 84.146 20.798 -5.433 1.00 0.00 C ATOM 28 CE1 HIS A 2 82.033 21.149 -5.093 1.00 0.00 C ATOM 29 NE2 HIS A 2 83.207 21.767 -5.077 1.00 0.00 N ATOM 0 H HIS A 2 86.592 18.228 -5.182 1.00 0.00 H new ATOM 0 HA HIS A 2 83.942 17.508 -4.111 1.00 0.00 H new ATOM 0 HB2 HIS A 2 84.804 18.422 -6.843 1.00 0.00 H new ATOM 0 HB3 HIS A 2 83.247 17.691 -6.510 1.00 0.00 H new ATOM 0 HD2 HIS A 2 85.210 20.960 -5.518 1.00 0.00 H new ATOM 0 HE1 HIS A 2 81.089 21.620 -4.861 1.00 0.00 H new ATOM 0 HE2 HIS A 2 83.386 22.746 -4.852 1.00 0.00 H new ATOM 37 N THR A 3 84.679 15.172 -4.389 1.00 0.00 N ATOM 38 CA THR A 3 84.963 13.771 -4.515 1.00 0.00 C ATOM 39 C THR A 3 83.973 13.103 -5.464 1.00 0.00 C ATOM 40 O THR A 3 84.283 12.075 -6.089 1.00 0.00 O ATOM 41 CB THR A 3 84.803 13.137 -3.134 1.00 0.00 C ATOM 42 OG1 THR A 3 85.184 14.111 -2.137 1.00 0.00 O ATOM 43 CG2 THR A 3 85.689 11.906 -3.000 1.00 0.00 C ATOM 0 H THR A 3 84.247 15.420 -3.499 1.00 0.00 H new ATOM 0 HA THR A 3 85.972 13.640 -4.907 1.00 0.00 H new ATOM 0 HB THR A 3 83.766 12.831 -2.997 1.00 0.00 H new ATOM 0 HG1 THR A 3 84.435 14.262 -1.524 1.00 0.00 H new ATOM 0 HG21 THR A 3 85.559 11.470 -2.009 1.00 0.00 H new ATOM 0 HG22 THR A 3 85.411 11.173 -3.758 1.00 0.00 H new ATOM 0 HG23 THR A 3 86.732 12.192 -3.137 1.00 0.00 H new ATOM 51 N ASN A 4 82.806 13.728 -5.577 1.00 0.00 N ATOM 52 CA ASN A 4 81.663 13.204 -6.305 1.00 0.00 C ATOM 53 C ASN A 4 81.185 11.931 -5.649 1.00 0.00 C ATOM 54 O ASN A 4 81.653 10.819 -5.936 1.00 0.00 O ATOM 55 CB ASN A 4 81.895 13.054 -7.823 1.00 0.00 C ATOM 56 CG ASN A 4 80.685 12.464 -8.544 1.00 0.00 C ATOM 57 OD1 ASN A 4 80.604 11.254 -8.770 1.00 0.00 O ATOM 58 ND2 ASN A 4 79.732 13.294 -8.875 1.00 0.00 N ATOM 0 H ASN A 4 82.627 14.638 -5.152 1.00 0.00 H new ATOM 0 HA ASN A 4 80.868 13.947 -6.243 1.00 0.00 H new ATOM 0 HB2 ASN A 4 82.128 14.030 -8.250 1.00 0.00 H new ATOM 0 HB3 ASN A 4 82.762 12.416 -7.993 1.00 0.00 H new ATOM 0 HD21 ASN A 4 78.890 12.947 -9.334 1.00 0.00 H new ATOM 0 HD22 ASN A 4 79.830 14.289 -8.674 1.00 0.00 H new ATOM 65 N TRP A 5 80.328 12.132 -4.693 1.00 0.00 N ATOM 66 CA TRP A 5 79.769 11.084 -3.878 1.00 0.00 C ATOM 67 C TRP A 5 78.954 10.079 -4.675 1.00 0.00 C ATOM 68 O TRP A 5 78.427 10.385 -5.752 1.00 0.00 O ATOM 69 CB TRP A 5 78.952 11.679 -2.724 1.00 0.00 C ATOM 70 CG TRP A 5 77.814 12.609 -3.099 1.00 0.00 C ATOM 71 CD1 TRP A 5 77.546 13.193 -4.318 1.00 0.00 C ATOM 72 CD2 TRP A 5 76.811 13.077 -2.212 1.00 0.00 C ATOM 73 NE1 TRP A 5 76.441 13.987 -4.221 1.00 0.00 N ATOM 74 CE2 TRP A 5 75.970 13.937 -2.939 1.00 0.00 C ATOM 75 CE3 TRP A 5 76.548 12.854 -0.867 1.00 0.00 C ATOM 76 CZ2 TRP A 5 74.880 14.568 -2.360 1.00 0.00 C ATOM 77 CZ3 TRP A 5 75.476 13.473 -0.295 1.00 0.00 C ATOM 78 CH2 TRP A 5 74.651 14.330 -1.039 1.00 0.00 C ATOM 0 H TRP A 5 79.984 13.060 -4.447 1.00 0.00 H new ATOM 0 HA TRP A 5 80.607 10.525 -3.462 1.00 0.00 H new ATOM 0 HB2 TRP A 5 78.540 10.856 -2.140 1.00 0.00 H new ATOM 0 HB3 TRP A 5 79.634 12.223 -2.070 1.00 0.00 H new ATOM 0 HD1 TRP A 5 78.125 13.044 -5.217 1.00 0.00 H new ATOM 0 HE1 TRP A 5 76.033 14.530 -4.982 1.00 0.00 H new ATOM 0 HE3 TRP A 5 77.181 12.202 -0.284 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 74.239 15.221 -2.933 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 75.258 13.301 0.749 1.00 0.00 H new ATOM 0 HH2 TRP A 5 73.815 14.812 -0.553 1.00 0.00 H new ATOM 89 N GLN A 6 78.838 8.901 -4.133 1.00 0.00 N ATOM 90 CA GLN A 6 78.135 7.853 -4.777 1.00 0.00 C ATOM 91 C GLN A 6 76.680 7.938 -4.370 1.00 0.00 C ATOM 92 O GLN A 6 76.347 7.909 -3.174 1.00 0.00 O ATOM 93 CB GLN A 6 78.726 6.488 -4.389 1.00 0.00 C ATOM 94 CG GLN A 6 80.232 6.379 -4.615 1.00 0.00 C ATOM 95 CD GLN A 6 80.787 4.995 -4.327 1.00 0.00 C ATOM 96 OE1 GLN A 6 80.117 3.988 -4.509 1.00 0.00 O ATOM 97 NE2 GLN A 6 82.011 4.934 -3.871 1.00 0.00 N ATOM 0 H GLN A 6 79.234 8.649 -3.227 1.00 0.00 H new ATOM 0 HA GLN A 6 78.225 7.955 -5.859 1.00 0.00 H new ATOM 0 HB2 GLN A 6 78.511 6.296 -3.338 1.00 0.00 H new ATOM 0 HB3 GLN A 6 78.225 5.709 -4.964 1.00 0.00 H new ATOM 0 HG2 GLN A 6 80.457 6.645 -5.648 1.00 0.00 H new ATOM 0 HG3 GLN A 6 80.740 7.105 -3.981 1.00 0.00 H new ATOM 0 HE21 GLN A 6 82.546 5.791 -3.729 1.00 0.00 H new ATOM 0 HE22 GLN A 6 82.431 4.029 -3.657 1.00 0.00 H new ATOM 106 N VAL A 7 75.839 8.111 -5.343 1.00 0.00 N ATOM 107 CA VAL A 7 74.417 8.154 -5.145 1.00 0.00 C ATOM 108 C VAL A 7 73.789 7.017 -5.926 1.00 0.00 C ATOM 109 O VAL A 7 73.895 6.952 -7.154 1.00 0.00 O ATOM 110 CB VAL A 7 73.792 9.546 -5.532 1.00 0.00 C ATOM 111 CG1 VAL A 7 74.259 10.621 -4.563 1.00 0.00 C ATOM 112 CG2 VAL A 7 74.157 9.960 -6.960 1.00 0.00 C ATOM 0 H VAL A 7 76.124 8.229 -6.315 1.00 0.00 H new ATOM 0 HA VAL A 7 74.206 8.031 -4.083 1.00 0.00 H new ATOM 0 HB VAL A 7 72.709 9.439 -5.475 1.00 0.00 H new ATOM 0 HG11 VAL A 7 73.819 11.578 -4.842 1.00 0.00 H new ATOM 0 HG12 VAL A 7 73.947 10.360 -3.552 1.00 0.00 H new ATOM 0 HG13 VAL A 7 75.346 10.696 -4.599 1.00 0.00 H new ATOM 0 HG21 VAL A 7 73.705 10.926 -7.186 1.00 0.00 H new ATOM 0 HG22 VAL A 7 75.241 10.036 -7.051 1.00 0.00 H new ATOM 0 HG23 VAL A 7 73.786 9.213 -7.662 1.00 0.00 H new ATOM 122 N CYS A 8 73.226 6.082 -5.230 1.00 0.00 N ATOM 123 CA CYS A 8 72.680 4.915 -5.874 1.00 0.00 C ATOM 124 C CYS A 8 71.271 4.687 -5.382 1.00 0.00 C ATOM 125 O CYS A 8 70.929 5.058 -4.243 1.00 0.00 O ATOM 126 CB CYS A 8 73.552 3.693 -5.555 1.00 0.00 C ATOM 127 SG CYS A 8 75.316 4.046 -5.607 1.00 0.00 S ATOM 0 H CYS A 8 73.129 6.097 -4.215 1.00 0.00 H new ATOM 0 HA CYS A 8 72.665 5.066 -6.953 1.00 0.00 H new ATOM 0 HB2 CYS A 8 73.292 3.318 -4.565 1.00 0.00 H new ATOM 0 HB3 CYS A 8 73.326 2.898 -6.266 1.00 0.00 H new ATOM 0 HG CYS A 8 75.837 3.501 -6.666 1.00 0.00 H new ATOM 133 N SER A 9 70.474 4.105 -6.212 1.00 0.00 N ATOM 134 CA SER A 9 69.131 3.803 -5.882 1.00 0.00 C ATOM 135 C SER A 9 69.070 2.348 -5.456 1.00 0.00 C ATOM 136 O SER A 9 69.786 1.504 -5.981 1.00 0.00 O ATOM 137 CB SER A 9 68.219 4.075 -7.098 1.00 0.00 C ATOM 138 OG SER A 9 66.857 3.769 -6.836 1.00 0.00 O ATOM 0 H SER A 9 70.746 3.823 -7.154 1.00 0.00 H new ATOM 0 HA SER A 9 68.780 4.432 -5.064 1.00 0.00 H new ATOM 0 HB2 SER A 9 68.304 5.123 -7.384 1.00 0.00 H new ATOM 0 HB3 SER A 9 68.564 3.484 -7.946 1.00 0.00 H new ATOM 0 HG SER A 9 66.320 3.959 -7.633 1.00 0.00 H new ATOM 144 N LEU A 10 68.310 2.073 -4.471 1.00 0.00 N ATOM 145 CA LEU A 10 68.113 0.744 -4.026 1.00 0.00 C ATOM 146 C LEU A 10 66.686 0.382 -4.227 1.00 0.00 C ATOM 147 O LEU A 10 65.788 1.093 -3.758 1.00 0.00 O ATOM 148 CB LEU A 10 68.459 0.600 -2.552 1.00 0.00 C ATOM 149 CG LEU A 10 69.898 0.888 -2.135 1.00 0.00 C ATOM 150 CD1 LEU A 10 70.049 0.698 -0.635 1.00 0.00 C ATOM 151 CD2 LEU A 10 70.875 -0.013 -2.876 1.00 0.00 C ATOM 0 H LEU A 10 67.796 2.774 -3.938 1.00 0.00 H new ATOM 0 HA LEU A 10 68.766 0.084 -4.597 1.00 0.00 H new ATOM 0 HB2 LEU A 10 67.806 1.264 -1.987 1.00 0.00 H new ATOM 0 HB3 LEU A 10 68.218 -0.419 -2.248 1.00 0.00 H new ATOM 0 HG LEU A 10 70.128 1.922 -2.394 1.00 0.00 H new ATOM 0 HD11 LEU A 10 71.079 0.905 -0.344 1.00 0.00 H new ATOM 0 HD12 LEU A 10 69.380 1.381 -0.112 1.00 0.00 H new ATOM 0 HD13 LEU A 10 69.797 -0.329 -0.371 1.00 0.00 H new ATOM 0 HD21 LEU A 10 71.893 0.215 -2.559 1.00 0.00 H new ATOM 0 HD22 LEU A 10 70.650 -1.056 -2.652 1.00 0.00 H new ATOM 0 HD23 LEU A 10 70.783 0.156 -3.949 1.00 0.00 H new ATOM 163 N VAL A 11 66.460 -0.668 -4.948 1.00 0.00 N ATOM 164 CA VAL A 11 65.138 -1.167 -5.109 1.00 0.00 C ATOM 165 C VAL A 11 64.969 -2.247 -4.082 1.00 0.00 C ATOM 166 O VAL A 11 65.511 -3.351 -4.217 1.00 0.00 O ATOM 167 CB VAL A 11 64.875 -1.731 -6.534 1.00 0.00 C ATOM 168 CG1 VAL A 11 63.440 -2.242 -6.658 1.00 0.00 C ATOM 169 CG2 VAL A 11 65.139 -0.665 -7.583 1.00 0.00 C ATOM 0 H VAL A 11 67.181 -1.198 -5.437 1.00 0.00 H new ATOM 0 HA VAL A 11 64.421 -0.357 -4.978 1.00 0.00 H new ATOM 0 HB VAL A 11 65.556 -2.566 -6.699 1.00 0.00 H new ATOM 0 HG11 VAL A 11 63.278 -2.632 -7.663 1.00 0.00 H new ATOM 0 HG12 VAL A 11 63.272 -3.035 -5.930 1.00 0.00 H new ATOM 0 HG13 VAL A 11 62.745 -1.424 -6.470 1.00 0.00 H new ATOM 0 HG21 VAL A 11 64.950 -1.076 -8.575 1.00 0.00 H new ATOM 0 HG22 VAL A 11 64.480 0.186 -7.411 1.00 0.00 H new ATOM 0 HG23 VAL A 11 66.177 -0.339 -7.517 1.00 0.00 H new ATOM 179 N VAL A 12 64.306 -1.908 -3.034 1.00 0.00 N ATOM 180 CA VAL A 12 64.097 -2.814 -1.966 1.00 0.00 C ATOM 181 C VAL A 12 62.765 -3.497 -2.150 1.00 0.00 C ATOM 182 O VAL A 12 61.710 -2.865 -2.026 1.00 0.00 O ATOM 183 CB VAL A 12 64.130 -2.091 -0.590 1.00 0.00 C ATOM 184 CG1 VAL A 12 63.970 -3.073 0.558 1.00 0.00 C ATOM 185 CG2 VAL A 12 65.409 -1.283 -0.424 1.00 0.00 C ATOM 0 H VAL A 12 63.891 -0.987 -2.894 1.00 0.00 H new ATOM 0 HA VAL A 12 64.902 -3.549 -1.976 1.00 0.00 H new ATOM 0 HB VAL A 12 63.285 -1.403 -0.566 1.00 0.00 H new ATOM 0 HG11 VAL A 12 63.998 -2.534 1.505 1.00 0.00 H new ATOM 0 HG12 VAL A 12 63.016 -3.591 0.463 1.00 0.00 H new ATOM 0 HG13 VAL A 12 64.782 -3.800 0.531 1.00 0.00 H new ATOM 0 HG21 VAL A 12 65.404 -0.789 0.547 1.00 0.00 H new ATOM 0 HG22 VAL A 12 66.270 -1.948 -0.488 1.00 0.00 H new ATOM 0 HG23 VAL A 12 65.470 -0.533 -1.212 1.00 0.00 H new ATOM 195 N GLN A 13 62.816 -4.742 -2.528 1.00 0.00 N ATOM 196 CA GLN A 13 61.640 -5.558 -2.596 1.00 0.00 C ATOM 197 C GLN A 13 61.453 -6.077 -1.202 1.00 0.00 C ATOM 198 O GLN A 13 62.350 -6.740 -0.669 1.00 0.00 O ATOM 199 CB GLN A 13 61.843 -6.724 -3.570 1.00 0.00 C ATOM 200 CG GLN A 13 62.170 -6.286 -4.990 1.00 0.00 C ATOM 201 CD GLN A 13 62.419 -7.451 -5.930 1.00 0.00 C ATOM 202 OE1 GLN A 13 63.548 -7.922 -6.070 1.00 0.00 O ATOM 203 NE2 GLN A 13 61.388 -7.914 -6.582 1.00 0.00 N ATOM 0 H GLN A 13 63.676 -5.220 -2.798 1.00 0.00 H new ATOM 0 HA GLN A 13 60.776 -4.997 -2.953 1.00 0.00 H new ATOM 0 HB2 GLN A 13 62.649 -7.358 -3.200 1.00 0.00 H new ATOM 0 HB3 GLN A 13 60.939 -7.333 -3.586 1.00 0.00 H new ATOM 0 HG2 GLN A 13 61.347 -5.684 -5.377 1.00 0.00 H new ATOM 0 HG3 GLN A 13 63.052 -5.646 -4.972 1.00 0.00 H new ATOM 0 HE21 GLN A 13 60.467 -7.499 -6.441 1.00 0.00 H new ATOM 0 HE22 GLN A 13 61.503 -8.691 -7.233 1.00 0.00 H new ATOM 212 N ALA A 14 60.363 -5.752 -0.590 1.00 0.00 N ATOM 213 CA ALA A 14 60.158 -6.090 0.793 1.00 0.00 C ATOM 214 C ALA A 14 58.741 -6.544 1.040 1.00 0.00 C ATOM 215 O ALA A 14 57.880 -6.430 0.156 1.00 0.00 O ATOM 216 CB ALA A 14 60.469 -4.876 1.654 1.00 0.00 C ATOM 0 H ALA A 14 59.590 -5.248 -1.024 1.00 0.00 H new ATOM 0 HA ALA A 14 60.824 -6.913 1.053 1.00 0.00 H new ATOM 0 HB1 ALA A 14 60.316 -5.126 2.704 1.00 0.00 H new ATOM 0 HB2 ALA A 14 61.506 -4.577 1.500 1.00 0.00 H new ATOM 0 HB3 ALA A 14 59.809 -4.054 1.376 1.00 0.00 H new ATOM 222 N LYS A 15 58.511 -7.091 2.242 1.00 0.00 N ATOM 223 CA LYS A 15 57.169 -7.471 2.681 1.00 0.00 C ATOM 224 C LYS A 15 56.284 -6.253 2.607 1.00 0.00 C ATOM 225 O LYS A 15 56.495 -5.284 3.341 1.00 0.00 O ATOM 226 CB LYS A 15 57.141 -8.008 4.137 1.00 0.00 C ATOM 227 CG LYS A 15 57.610 -9.452 4.386 1.00 0.00 C ATOM 228 CD LYS A 15 59.061 -9.689 4.033 1.00 0.00 C ATOM 229 CE LYS A 15 59.589 -10.979 4.657 1.00 0.00 C ATOM 230 NZ LYS A 15 58.860 -12.179 4.217 1.00 0.00 N ATOM 0 H LYS A 15 59.243 -7.279 2.927 1.00 0.00 H new ATOM 0 HA LYS A 15 56.822 -8.272 2.028 1.00 0.00 H new ATOM 0 HB2 LYS A 15 57.756 -7.348 4.748 1.00 0.00 H new ATOM 0 HB3 LYS A 15 56.119 -7.921 4.505 1.00 0.00 H new ATOM 0 HG2 LYS A 15 57.456 -9.699 5.436 1.00 0.00 H new ATOM 0 HG3 LYS A 15 56.988 -10.132 3.804 1.00 0.00 H new ATOM 0 HD2 LYS A 15 59.169 -9.738 2.949 1.00 0.00 H new ATOM 0 HD3 LYS A 15 59.662 -8.846 4.376 1.00 0.00 H new ATOM 0 HE2 LYS A 15 60.644 -11.091 4.406 1.00 0.00 H new ATOM 0 HE3 LYS A 15 59.526 -10.902 5.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 59.308 -13.026 4.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 57.873 -12.123 4.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 58.883 -12.238 3.179 1.00 0.00 H new ATOM 244 N SER A 16 55.300 -6.312 1.754 1.00 0.00 N ATOM 245 CA SER A 16 54.412 -5.209 1.498 1.00 0.00 C ATOM 246 C SER A 16 53.608 -4.817 2.759 1.00 0.00 C ATOM 247 O SER A 16 53.258 -3.652 2.956 1.00 0.00 O ATOM 248 CB SER A 16 53.512 -5.600 0.343 1.00 0.00 C ATOM 249 OG SER A 16 54.321 -6.112 -0.721 1.00 0.00 O ATOM 0 H SER A 16 55.087 -7.145 1.205 1.00 0.00 H new ATOM 0 HA SER A 16 54.984 -4.321 1.231 1.00 0.00 H new ATOM 0 HB2 SER A 16 52.791 -6.352 0.664 1.00 0.00 H new ATOM 0 HB3 SER A 16 52.941 -4.737 0.001 1.00 0.00 H new ATOM 0 HG SER A 16 53.748 -6.370 -1.473 1.00 0.00 H new ATOM 255 N GLU A 17 53.379 -5.778 3.637 1.00 0.00 N ATOM 256 CA GLU A 17 52.664 -5.527 4.881 1.00 0.00 C ATOM 257 C GLU A 17 53.580 -4.846 5.906 1.00 0.00 C ATOM 258 O GLU A 17 53.126 -4.148 6.817 1.00 0.00 O ATOM 259 CB GLU A 17 52.147 -6.831 5.480 1.00 0.00 C ATOM 260 CG GLU A 17 53.240 -7.820 5.866 1.00 0.00 C ATOM 261 CD GLU A 17 52.727 -8.946 6.710 1.00 0.00 C ATOM 262 OE1 GLU A 17 52.262 -8.683 7.832 1.00 0.00 O ATOM 263 OE2 GLU A 17 52.833 -10.117 6.302 1.00 0.00 O ATOM 0 H GLU A 17 53.679 -6.745 3.512 1.00 0.00 H new ATOM 0 HA GLU A 17 51.824 -4.873 4.649 1.00 0.00 H new ATOM 0 HB2 GLU A 17 51.553 -6.601 6.364 1.00 0.00 H new ATOM 0 HB3 GLU A 17 51.479 -7.307 4.762 1.00 0.00 H new ATOM 0 HG2 GLU A 17 53.693 -8.226 4.962 1.00 0.00 H new ATOM 0 HG3 GLU A 17 54.026 -7.294 6.408 1.00 0.00 H new ATOM 270 N ARG A 18 54.865 -5.036 5.738 1.00 0.00 N ATOM 271 CA ARG A 18 55.833 -4.554 6.681 1.00 0.00 C ATOM 272 C ARG A 18 56.519 -3.311 6.143 1.00 0.00 C ATOM 273 O ARG A 18 57.434 -2.776 6.752 1.00 0.00 O ATOM 274 CB ARG A 18 56.829 -5.658 6.981 1.00 0.00 C ATOM 275 CG ARG A 18 57.667 -5.399 8.205 1.00 0.00 C ATOM 276 CD ARG A 18 58.521 -6.573 8.524 1.00 0.00 C ATOM 277 NE ARG A 18 57.726 -7.755 8.879 1.00 0.00 N ATOM 278 CZ ARG A 18 58.234 -8.944 9.217 1.00 0.00 C ATOM 279 NH1 ARG A 18 59.562 -9.118 9.282 1.00 0.00 N ATOM 280 NH2 ARG A 18 57.419 -9.952 9.501 1.00 0.00 N ATOM 0 H ARG A 18 55.266 -5.530 4.941 1.00 0.00 H new ATOM 0 HA ARG A 18 55.337 -4.274 7.611 1.00 0.00 H new ATOM 0 HB2 ARG A 18 56.290 -6.596 7.112 1.00 0.00 H new ATOM 0 HB3 ARG A 18 57.487 -5.786 6.121 1.00 0.00 H new ATOM 0 HG2 ARG A 18 58.294 -4.522 8.042 1.00 0.00 H new ATOM 0 HG3 ARG A 18 57.019 -5.175 9.053 1.00 0.00 H new ATOM 0 HD2 ARG A 18 59.152 -6.805 7.666 1.00 0.00 H new ATOM 0 HD3 ARG A 18 59.186 -6.323 9.350 1.00 0.00 H new ATOM 0 HE ARG A 18 56.710 -7.662 8.867 1.00 0.00 H new ATOM 0 HH11 ARG A 18 60.189 -8.341 9.073 1.00 0.00 H new ATOM 0 HH12 ARG A 18 59.945 -10.027 9.540 1.00 0.00 H new ATOM 0 HH21 ARG A 18 56.409 -9.818 9.461 1.00 0.00 H new ATOM 0 HH22 ARG A 18 57.803 -10.861 9.759 1.00 0.00 H new ATOM 294 N ILE A 19 56.042 -2.833 5.004 1.00 0.00 N ATOM 295 CA ILE A 19 56.575 -1.630 4.382 1.00 0.00 C ATOM 296 C ILE A 19 56.510 -0.428 5.317 1.00 0.00 C ATOM 297 O ILE A 19 57.460 0.353 5.389 1.00 0.00 O ATOM 298 CB ILE A 19 55.911 -1.335 2.993 1.00 0.00 C ATOM 299 CG1 ILE A 19 56.539 -2.235 1.916 1.00 0.00 C ATOM 300 CG2 ILE A 19 55.988 0.147 2.607 1.00 0.00 C ATOM 301 CD1 ILE A 19 55.975 -2.045 0.532 1.00 0.00 C ATOM 0 H ILE A 19 55.277 -3.266 4.486 1.00 0.00 H new ATOM 0 HA ILE A 19 57.630 -1.820 4.186 1.00 0.00 H new ATOM 0 HB ILE A 19 54.849 -1.567 3.073 1.00 0.00 H new ATOM 0 HG12 ILE A 19 57.612 -2.048 1.885 1.00 0.00 H new ATOM 0 HG13 ILE A 19 56.405 -3.276 2.209 1.00 0.00 H new ATOM 0 HG21 ILE A 19 55.514 0.295 1.637 1.00 0.00 H new ATOM 0 HG22 ILE A 19 55.473 0.746 3.358 1.00 0.00 H new ATOM 0 HG23 ILE A 19 57.032 0.455 2.551 1.00 0.00 H new ATOM 0 HD11 ILE A 19 56.477 -2.720 -0.161 1.00 0.00 H new ATOM 0 HD12 ILE A 19 54.907 -2.263 0.541 1.00 0.00 H new ATOM 0 HD13 ILE A 19 56.133 -1.015 0.213 1.00 0.00 H new ATOM 313 N SER A 20 55.433 -0.335 6.073 1.00 0.00 N ATOM 314 CA SER A 20 55.224 0.728 7.037 1.00 0.00 C ATOM 315 C SER A 20 56.395 0.779 8.053 1.00 0.00 C ATOM 316 O SER A 20 56.860 1.862 8.456 1.00 0.00 O ATOM 317 CB SER A 20 53.918 0.434 7.757 1.00 0.00 C ATOM 318 OG SER A 20 52.913 0.054 6.817 1.00 0.00 O ATOM 0 H SER A 20 54.666 -1.007 6.034 1.00 0.00 H new ATOM 0 HA SER A 20 55.181 1.695 6.535 1.00 0.00 H new ATOM 0 HB2 SER A 20 54.067 -0.364 8.484 1.00 0.00 H new ATOM 0 HB3 SER A 20 53.594 1.314 8.312 1.00 0.00 H new ATOM 0 HG SER A 20 52.076 -0.135 7.291 1.00 0.00 H new ATOM 324 N ASP A 21 56.878 -0.393 8.424 1.00 0.00 N ATOM 325 CA ASP A 21 57.980 -0.541 9.363 1.00 0.00 C ATOM 326 C ASP A 21 59.287 -0.259 8.651 1.00 0.00 C ATOM 327 O ASP A 21 60.044 0.638 9.023 1.00 0.00 O ATOM 328 CB ASP A 21 58.049 -1.989 9.892 1.00 0.00 C ATOM 329 CG ASP A 21 56.760 -2.502 10.477 1.00 0.00 C ATOM 330 OD1 ASP A 21 55.855 -2.884 9.705 1.00 0.00 O ATOM 331 OD2 ASP A 21 56.627 -2.549 11.718 1.00 0.00 O ATOM 0 H ASP A 21 56.513 -1.281 8.079 1.00 0.00 H new ATOM 0 HA ASP A 21 57.820 0.153 10.188 1.00 0.00 H new ATOM 0 HB2 ASP A 21 58.350 -2.646 9.076 1.00 0.00 H new ATOM 0 HB3 ASP A 21 58.827 -2.048 10.653 1.00 0.00 H new ATOM 336 N ILE A 22 59.507 -1.008 7.587 1.00 0.00 N ATOM 337 CA ILE A 22 60.749 -0.995 6.815 1.00 0.00 C ATOM 338 C ILE A 22 61.056 0.389 6.233 1.00 0.00 C ATOM 339 O ILE A 22 62.160 0.868 6.373 1.00 0.00 O ATOM 340 CB ILE A 22 60.694 -2.052 5.676 1.00 0.00 C ATOM 341 CG1 ILE A 22 60.395 -3.429 6.263 1.00 0.00 C ATOM 342 CG2 ILE A 22 62.007 -2.093 4.894 1.00 0.00 C ATOM 343 CD1 ILE A 22 60.115 -4.481 5.226 1.00 0.00 C ATOM 0 H ILE A 22 58.814 -1.661 7.221 1.00 0.00 H new ATOM 0 HA ILE A 22 61.555 -1.248 7.504 1.00 0.00 H new ATOM 0 HB ILE A 22 59.899 -1.768 4.986 1.00 0.00 H new ATOM 0 HG12 ILE A 22 61.242 -3.747 6.870 1.00 0.00 H new ATOM 0 HG13 ILE A 22 59.536 -3.351 6.930 1.00 0.00 H new ATOM 0 HG21 ILE A 22 61.937 -2.842 4.105 1.00 0.00 H new ATOM 0 HG22 ILE A 22 62.197 -1.115 4.451 1.00 0.00 H new ATOM 0 HG23 ILE A 22 62.824 -2.351 5.568 1.00 0.00 H new ATOM 0 HD11 ILE A 22 59.912 -5.432 5.718 1.00 0.00 H new ATOM 0 HD12 ILE A 22 59.249 -4.186 4.634 1.00 0.00 H new ATOM 0 HD13 ILE A 22 60.981 -4.588 4.573 1.00 0.00 H new ATOM 355 N SER A 23 60.072 1.043 5.645 1.00 0.00 N ATOM 356 CA SER A 23 60.279 2.344 5.015 1.00 0.00 C ATOM 357 C SER A 23 60.669 3.395 6.070 1.00 0.00 C ATOM 358 O SER A 23 61.472 4.273 5.808 1.00 0.00 O ATOM 359 CB SER A 23 59.011 2.772 4.238 1.00 0.00 C ATOM 360 OG SER A 23 59.222 3.941 3.454 1.00 0.00 O ATOM 0 H SER A 23 59.114 0.697 5.588 1.00 0.00 H new ATOM 0 HA SER A 23 61.100 2.265 4.302 1.00 0.00 H new ATOM 0 HB2 SER A 23 58.693 1.956 3.589 1.00 0.00 H new ATOM 0 HB3 SER A 23 58.200 2.953 4.943 1.00 0.00 H new ATOM 0 HG SER A 23 58.358 4.353 3.243 1.00 0.00 H new ATOM 366 N THR A 24 60.179 3.223 7.285 1.00 0.00 N ATOM 367 CA THR A 24 60.456 4.165 8.346 1.00 0.00 C ATOM 368 C THR A 24 61.879 3.937 8.845 1.00 0.00 C ATOM 369 O THR A 24 62.625 4.876 9.126 1.00 0.00 O ATOM 370 CB THR A 24 59.431 3.986 9.491 1.00 0.00 C ATOM 371 OG1 THR A 24 58.102 4.170 8.963 1.00 0.00 O ATOM 372 CG2 THR A 24 59.665 4.986 10.615 1.00 0.00 C ATOM 0 H THR A 24 59.587 2.438 7.558 1.00 0.00 H new ATOM 0 HA THR A 24 60.368 5.186 7.975 1.00 0.00 H new ATOM 0 HB THR A 24 59.549 2.983 9.901 1.00 0.00 H new ATOM 0 HG1 THR A 24 57.608 3.325 9.017 1.00 0.00 H new ATOM 0 HG21 THR A 24 58.926 4.830 11.401 1.00 0.00 H new ATOM 0 HG22 THR A 24 60.665 4.846 11.024 1.00 0.00 H new ATOM 0 HG23 THR A 24 59.571 6.000 10.225 1.00 0.00 H new ATOM 380 N GLN A 25 62.241 2.680 8.868 1.00 0.00 N ATOM 381 CA GLN A 25 63.532 2.225 9.269 1.00 0.00 C ATOM 382 C GLN A 25 64.618 2.579 8.252 1.00 0.00 C ATOM 383 O GLN A 25 65.674 3.077 8.628 1.00 0.00 O ATOM 384 CB GLN A 25 63.445 0.735 9.522 1.00 0.00 C ATOM 385 CG GLN A 25 63.143 0.401 10.963 1.00 0.00 C ATOM 386 CD GLN A 25 62.846 -1.053 11.173 1.00 0.00 C ATOM 387 OE1 GLN A 25 63.745 -1.862 11.394 1.00 0.00 O ATOM 388 NE2 GLN A 25 61.592 -1.396 11.164 1.00 0.00 N ATOM 0 H GLN A 25 61.615 1.922 8.596 1.00 0.00 H new ATOM 0 HA GLN A 25 63.829 2.735 10.185 1.00 0.00 H new ATOM 0 HB2 GLN A 25 62.670 0.308 8.885 1.00 0.00 H new ATOM 0 HB3 GLN A 25 64.387 0.267 9.235 1.00 0.00 H new ATOM 0 HG2 GLN A 25 63.993 0.687 11.583 1.00 0.00 H new ATOM 0 HG3 GLN A 25 62.291 0.993 11.297 1.00 0.00 H new ATOM 0 HE21 GLN A 25 60.873 -0.697 10.977 1.00 0.00 H new ATOM 0 HE22 GLN A 25 61.327 -2.364 11.344 1.00 0.00 H new ATOM 397 N LEU A 26 64.349 2.358 6.972 1.00 0.00 N ATOM 398 CA LEU A 26 65.289 2.656 5.932 1.00 0.00 C ATOM 399 C LEU A 26 65.514 4.147 5.829 1.00 0.00 C ATOM 400 O LEU A 26 66.637 4.603 5.667 1.00 0.00 O ATOM 401 CB LEU A 26 64.795 2.113 4.595 1.00 0.00 C ATOM 402 CG LEU A 26 64.530 0.610 4.512 1.00 0.00 C ATOM 403 CD1 LEU A 26 64.164 0.208 3.096 1.00 0.00 C ATOM 404 CD2 LEU A 26 65.715 -0.190 5.015 1.00 0.00 C ATOM 0 H LEU A 26 63.468 1.966 6.639 1.00 0.00 H new ATOM 0 HA LEU A 26 66.235 2.175 6.181 1.00 0.00 H new ATOM 0 HB2 LEU A 26 63.873 2.634 4.337 1.00 0.00 H new ATOM 0 HB3 LEU A 26 65.530 2.370 3.832 1.00 0.00 H new ATOM 0 HG LEU A 26 63.684 0.384 5.161 1.00 0.00 H new ATOM 0 HD11 LEU A 26 63.979 -0.866 3.059 1.00 0.00 H new ATOM 0 HD12 LEU A 26 63.265 0.742 2.787 1.00 0.00 H new ATOM 0 HD13 LEU A 26 64.984 0.459 2.423 1.00 0.00 H new ATOM 0 HD21 LEU A 26 65.493 -1.255 4.942 1.00 0.00 H new ATOM 0 HD22 LEU A 26 66.592 0.040 4.410 1.00 0.00 H new ATOM 0 HD23 LEU A 26 65.913 0.069 6.055 1.00 0.00 H new ATOM 416 N ASN A 27 64.447 4.909 5.986 1.00 0.00 N ATOM 417 CA ASN A 27 64.500 6.346 5.865 1.00 0.00 C ATOM 418 C ASN A 27 65.091 6.980 7.133 1.00 0.00 C ATOM 419 O ASN A 27 65.267 8.187 7.218 1.00 0.00 O ATOM 420 CB ASN A 27 63.083 6.850 5.650 1.00 0.00 C ATOM 421 CG ASN A 27 63.027 8.201 5.034 1.00 0.00 C ATOM 422 OD1 ASN A 27 63.889 8.572 4.265 1.00 0.00 O ATOM 423 ND2 ASN A 27 61.995 8.913 5.301 1.00 0.00 N ATOM 0 H ASN A 27 63.519 4.544 6.201 1.00 0.00 H new ATOM 0 HA ASN A 27 65.139 6.621 5.026 1.00 0.00 H new ATOM 0 HB2 ASN A 27 62.547 6.146 5.014 1.00 0.00 H new ATOM 0 HB3 ASN A 27 62.564 6.873 6.608 1.00 0.00 H new ATOM 0 HD21 ASN A 27 61.877 9.826 4.861 1.00 0.00 H new ATOM 0 HD22 ASN A 27 61.291 8.567 5.953 1.00 0.00 H new ATOM 430 N ALA A 28 65.401 6.153 8.115 1.00 0.00 N ATOM 431 CA ALA A 28 65.935 6.636 9.373 1.00 0.00 C ATOM 432 C ALA A 28 67.458 6.727 9.349 1.00 0.00 C ATOM 433 O ALA A 28 68.051 7.408 10.192 1.00 0.00 O ATOM 434 CB ALA A 28 65.475 5.761 10.531 1.00 0.00 C ATOM 0 H ALA A 28 65.291 5.140 8.064 1.00 0.00 H new ATOM 0 HA ALA A 28 65.546 7.644 9.519 1.00 0.00 H new ATOM 0 HB1 ALA A 28 65.889 6.144 11.464 1.00 0.00 H new ATOM 0 HB2 ALA A 28 64.386 5.772 10.586 1.00 0.00 H new ATOM 0 HB3 ALA A 28 65.820 4.739 10.374 1.00 0.00 H new ATOM 440 N PHE A 29 68.098 6.064 8.407 1.00 0.00 N ATOM 441 CA PHE A 29 69.515 6.072 8.344 1.00 0.00 C ATOM 442 C PHE A 29 70.010 7.359 7.675 1.00 0.00 C ATOM 443 O PHE A 29 69.362 7.868 6.758 1.00 0.00 O ATOM 444 CB PHE A 29 70.008 4.868 7.561 1.00 0.00 C ATOM 445 CG PHE A 29 69.544 3.540 8.071 1.00 0.00 C ATOM 446 CD1 PHE A 29 69.871 3.111 9.345 1.00 0.00 C ATOM 447 CD2 PHE A 29 68.791 2.715 7.260 1.00 0.00 C ATOM 448 CE1 PHE A 29 69.442 1.878 9.805 1.00 0.00 C ATOM 449 CE2 PHE A 29 68.358 1.481 7.711 1.00 0.00 C ATOM 450 CZ PHE A 29 68.685 1.062 8.986 1.00 0.00 C ATOM 0 H PHE A 29 67.641 5.515 7.679 1.00 0.00 H new ATOM 0 HA PHE A 29 69.908 6.026 9.360 1.00 0.00 H new ATOM 0 HB2 PHE A 29 69.687 4.973 6.525 1.00 0.00 H new ATOM 0 HB3 PHE A 29 71.098 4.878 7.560 1.00 0.00 H new ATOM 0 HD1 PHE A 29 70.466 3.744 9.986 1.00 0.00 H new ATOM 0 HD2 PHE A 29 68.537 3.037 6.261 1.00 0.00 H new ATOM 0 HE1 PHE A 29 69.699 1.554 10.803 1.00 0.00 H new ATOM 0 HE2 PHE A 29 67.766 0.847 7.068 1.00 0.00 H new ATOM 0 HZ PHE A 29 68.350 0.099 9.342 1.00 0.00 H new ATOM 460 N PRO A 30 71.134 7.912 8.129 1.00 0.00 N ATOM 461 CA PRO A 30 71.712 9.121 7.537 1.00 0.00 C ATOM 462 C PRO A 30 72.277 8.833 6.150 1.00 0.00 C ATOM 463 O PRO A 30 73.056 7.892 5.973 1.00 0.00 O ATOM 464 CB PRO A 30 72.851 9.493 8.493 1.00 0.00 C ATOM 465 CG PRO A 30 72.662 8.641 9.700 1.00 0.00 C ATOM 466 CD PRO A 30 71.944 7.416 9.243 1.00 0.00 C ATOM 0 HA PRO A 30 70.973 9.913 7.415 1.00 0.00 H new ATOM 0 HB2 PRO A 30 73.822 9.310 8.034 1.00 0.00 H new ATOM 0 HB3 PRO A 30 72.815 10.551 8.752 1.00 0.00 H new ATOM 0 HG2 PRO A 30 73.622 8.384 10.148 1.00 0.00 H new ATOM 0 HG3 PRO A 30 72.086 9.168 10.461 1.00 0.00 H new ATOM 0 HD2 PRO A 30 72.636 6.637 8.924 1.00 0.00 H new ATOM 0 HD3 PRO A 30 71.327 6.990 10.034 1.00 0.00 H new ATOM 474 N GLY A 31 71.851 9.595 5.173 1.00 0.00 N ATOM 475 CA GLY A 31 72.324 9.400 3.821 1.00 0.00 C ATOM 476 C GLY A 31 71.445 8.436 3.057 1.00 0.00 C ATOM 477 O GLY A 31 71.698 8.132 1.897 1.00 0.00 O ATOM 0 H GLY A 31 71.180 10.354 5.286 1.00 0.00 H new ATOM 0 HA2 GLY A 31 72.350 10.358 3.302 1.00 0.00 H new ATOM 0 HA3 GLY A 31 73.346 9.022 3.844 1.00 0.00 H new ATOM 481 N CYS A 32 70.423 7.958 3.708 1.00 0.00 N ATOM 482 CA CYS A 32 69.517 7.020 3.145 1.00 0.00 C ATOM 483 C CYS A 32 68.125 7.596 3.239 1.00 0.00 C ATOM 484 O CYS A 32 67.651 7.924 4.335 1.00 0.00 O ATOM 485 CB CYS A 32 69.639 5.732 3.941 1.00 0.00 C ATOM 486 SG CYS A 32 68.589 4.370 3.456 1.00 0.00 S ATOM 0 H CYS A 32 70.198 8.221 4.668 1.00 0.00 H new ATOM 0 HA CYS A 32 69.735 6.813 2.097 1.00 0.00 H new ATOM 0 HB2 CYS A 32 70.675 5.397 3.885 1.00 0.00 H new ATOM 0 HB3 CYS A 32 69.434 5.961 4.987 1.00 0.00 H new ATOM 0 HG CYS A 32 67.513 4.370 4.186 1.00 0.00 H new ATOM 492 N GLU A 33 67.497 7.784 2.117 1.00 0.00 N ATOM 493 CA GLU A 33 66.174 8.337 2.110 1.00 0.00 C ATOM 494 C GLU A 33 65.297 7.576 1.140 1.00 0.00 C ATOM 495 O GLU A 33 65.751 7.170 0.063 1.00 0.00 O ATOM 496 CB GLU A 33 66.205 9.824 1.748 1.00 0.00 C ATOM 497 CG GLU A 33 64.884 10.523 2.000 1.00 0.00 C ATOM 498 CD GLU A 33 64.911 11.978 1.639 1.00 0.00 C ATOM 499 OE1 GLU A 33 65.757 12.724 2.191 1.00 0.00 O ATOM 500 OE2 GLU A 33 64.068 12.418 0.853 1.00 0.00 O ATOM 0 H GLU A 33 67.877 7.564 1.197 1.00 0.00 H new ATOM 0 HA GLU A 33 65.757 8.242 3.112 1.00 0.00 H new ATOM 0 HB2 GLU A 33 66.987 10.317 2.326 1.00 0.00 H new ATOM 0 HB3 GLU A 33 66.471 9.931 0.696 1.00 0.00 H new ATOM 0 HG2 GLU A 33 64.102 10.027 1.426 1.00 0.00 H new ATOM 0 HG3 GLU A 33 64.620 10.421 3.053 1.00 0.00 H new ATOM 507 N VAL A 34 64.061 7.369 1.518 1.00 0.00 N ATOM 508 CA VAL A 34 63.117 6.664 0.686 1.00 0.00 C ATOM 509 C VAL A 34 62.411 7.672 -0.210 1.00 0.00 C ATOM 510 O VAL A 34 61.733 8.579 0.275 1.00 0.00 O ATOM 511 CB VAL A 34 62.071 5.900 1.531 1.00 0.00 C ATOM 512 CG1 VAL A 34 61.188 5.033 0.646 1.00 0.00 C ATOM 513 CG2 VAL A 34 62.752 5.060 2.589 1.00 0.00 C ATOM 0 H VAL A 34 63.680 7.684 2.410 1.00 0.00 H new ATOM 0 HA VAL A 34 63.659 5.931 0.089 1.00 0.00 H new ATOM 0 HB VAL A 34 61.437 6.633 2.029 1.00 0.00 H new ATOM 0 HG11 VAL A 34 60.460 4.506 1.263 1.00 0.00 H new ATOM 0 HG12 VAL A 34 60.665 5.662 -0.074 1.00 0.00 H new ATOM 0 HG13 VAL A 34 61.805 4.309 0.114 1.00 0.00 H new ATOM 0 HG21 VAL A 34 61.999 4.530 3.173 1.00 0.00 H new ATOM 0 HG22 VAL A 34 63.414 4.338 2.110 1.00 0.00 H new ATOM 0 HG23 VAL A 34 63.334 5.705 3.247 1.00 0.00 H new ATOM 523 N ALA A 35 62.574 7.513 -1.500 1.00 0.00 N ATOM 524 CA ALA A 35 62.032 8.455 -2.456 1.00 0.00 C ATOM 525 C ALA A 35 60.659 8.037 -2.959 1.00 0.00 C ATOM 526 O ALA A 35 59.779 8.871 -3.128 1.00 0.00 O ATOM 527 CB ALA A 35 62.994 8.638 -3.620 1.00 0.00 C ATOM 0 H ALA A 35 63.082 6.734 -1.918 1.00 0.00 H new ATOM 0 HA ALA A 35 61.909 9.408 -1.941 1.00 0.00 H new ATOM 0 HB1 ALA A 35 62.574 9.349 -4.331 1.00 0.00 H new ATOM 0 HB2 ALA A 35 63.946 9.016 -3.249 1.00 0.00 H new ATOM 0 HB3 ALA A 35 63.152 7.680 -4.115 1.00 0.00 H new ATOM 533 N VAL A 36 60.481 6.751 -3.211 1.00 0.00 N ATOM 534 CA VAL A 36 59.216 6.239 -3.737 1.00 0.00 C ATOM 535 C VAL A 36 58.860 4.954 -3.014 1.00 0.00 C ATOM 536 O VAL A 36 59.636 3.989 -3.040 1.00 0.00 O ATOM 537 CB VAL A 36 59.283 5.934 -5.278 1.00 0.00 C ATOM 538 CG1 VAL A 36 57.930 5.461 -5.805 1.00 0.00 C ATOM 539 CG2 VAL A 36 59.759 7.141 -6.076 1.00 0.00 C ATOM 0 H VAL A 36 61.194 6.038 -3.061 1.00 0.00 H new ATOM 0 HA VAL A 36 58.464 7.011 -3.576 1.00 0.00 H new ATOM 0 HB VAL A 36 60.012 5.134 -5.409 1.00 0.00 H new ATOM 0 HG11 VAL A 36 58.006 5.258 -6.873 1.00 0.00 H new ATOM 0 HG12 VAL A 36 57.634 4.551 -5.283 1.00 0.00 H new ATOM 0 HG13 VAL A 36 57.182 6.236 -5.636 1.00 0.00 H new ATOM 0 HG21 VAL A 36 59.791 6.887 -7.136 1.00 0.00 H new ATOM 0 HG22 VAL A 36 59.071 7.973 -5.923 1.00 0.00 H new ATOM 0 HG23 VAL A 36 60.756 7.428 -5.742 1.00 0.00 H new ATOM 549 N SER A 37 57.728 4.938 -2.375 1.00 0.00 N ATOM 550 CA SER A 37 57.273 3.759 -1.697 1.00 0.00 C ATOM 551 C SER A 37 56.044 3.210 -2.409 1.00 0.00 C ATOM 552 O SER A 37 55.067 3.930 -2.606 1.00 0.00 O ATOM 553 CB SER A 37 56.932 4.083 -0.244 1.00 0.00 C ATOM 554 OG SER A 37 58.023 4.726 0.414 1.00 0.00 O ATOM 0 H SER A 37 57.097 5.736 -2.309 1.00 0.00 H new ATOM 0 HA SER A 37 58.065 3.010 -1.709 1.00 0.00 H new ATOM 0 HB2 SER A 37 56.053 4.727 -0.209 1.00 0.00 H new ATOM 0 HB3 SER A 37 56.676 3.165 0.285 1.00 0.00 H new ATOM 0 HG SER A 37 57.776 4.923 1.342 1.00 0.00 H new ATOM 560 N ASP A 38 56.108 1.975 -2.831 1.00 0.00 N ATOM 561 CA ASP A 38 54.972 1.328 -3.453 1.00 0.00 C ATOM 562 C ASP A 38 54.559 0.159 -2.651 1.00 0.00 C ATOM 563 O ASP A 38 55.135 -0.933 -2.786 1.00 0.00 O ATOM 564 CB ASP A 38 55.217 0.863 -4.894 1.00 0.00 C ATOM 565 CG ASP A 38 55.323 1.962 -5.898 1.00 0.00 C ATOM 566 OD1 ASP A 38 54.284 2.579 -6.226 1.00 0.00 O ATOM 567 OD2 ASP A 38 56.413 2.174 -6.438 1.00 0.00 O ATOM 0 H ASP A 38 56.940 1.389 -2.757 1.00 0.00 H new ATOM 0 HA ASP A 38 54.192 2.088 -3.492 1.00 0.00 H new ATOM 0 HB2 ASP A 38 56.135 0.276 -4.920 1.00 0.00 H new ATOM 0 HB3 ASP A 38 54.405 0.198 -5.189 1.00 0.00 H new ATOM 572 N ALA A 39 53.588 0.371 -1.804 1.00 0.00 N ATOM 573 CA ALA A 39 53.008 -0.695 -1.013 1.00 0.00 C ATOM 574 C ALA A 39 52.456 -1.845 -1.909 1.00 0.00 C ATOM 575 O ALA A 39 52.733 -3.001 -1.631 1.00 0.00 O ATOM 576 CB ALA A 39 51.939 -0.162 -0.069 1.00 0.00 C ATOM 0 H ALA A 39 53.172 1.287 -1.638 1.00 0.00 H new ATOM 0 HA ALA A 39 53.806 -1.119 -0.404 1.00 0.00 H new ATOM 0 HB1 ALA A 39 51.522 -0.985 0.511 1.00 0.00 H new ATOM 0 HB2 ALA A 39 52.382 0.570 0.606 1.00 0.00 H new ATOM 0 HB3 ALA A 39 51.146 0.312 -0.648 1.00 0.00 H new ATOM 582 N PRO A 40 51.704 -1.542 -3.036 1.00 0.00 N ATOM 583 CA PRO A 40 51.156 -2.578 -3.950 1.00 0.00 C ATOM 584 C PRO A 40 52.247 -3.469 -4.561 1.00 0.00 C ATOM 585 O PRO A 40 52.089 -4.690 -4.666 1.00 0.00 O ATOM 586 CB PRO A 40 50.520 -1.719 -5.072 1.00 0.00 C ATOM 587 CG PRO A 40 51.270 -0.440 -4.971 1.00 0.00 C ATOM 588 CD PRO A 40 51.297 -0.201 -3.521 1.00 0.00 C ATOM 0 HA PRO A 40 50.478 -3.259 -3.436 1.00 0.00 H new ATOM 0 HB2 PRO A 40 50.638 -2.181 -6.052 1.00 0.00 H new ATOM 0 HB3 PRO A 40 49.451 -1.575 -4.915 1.00 0.00 H new ATOM 0 HG2 PRO A 40 52.274 -0.524 -5.387 1.00 0.00 H new ATOM 0 HG3 PRO A 40 50.770 0.367 -5.506 1.00 0.00 H new ATOM 0 HD2 PRO A 40 52.009 0.575 -3.242 1.00 0.00 H new ATOM 0 HD3 PRO A 40 50.325 0.103 -3.132 1.00 0.00 H new ATOM 596 N SER A 41 53.356 -2.853 -4.932 1.00 0.00 N ATOM 597 CA SER A 41 54.416 -3.536 -5.628 1.00 0.00 C ATOM 598 C SER A 41 55.386 -4.211 -4.647 1.00 0.00 C ATOM 599 O SER A 41 56.111 -5.133 -5.018 1.00 0.00 O ATOM 600 CB SER A 41 55.176 -2.519 -6.488 1.00 0.00 C ATOM 601 OG SER A 41 54.278 -1.714 -7.264 1.00 0.00 O ATOM 0 H SER A 41 53.540 -1.865 -4.756 1.00 0.00 H new ATOM 0 HA SER A 41 53.980 -4.314 -6.254 1.00 0.00 H new ATOM 0 HB2 SER A 41 55.780 -1.877 -5.847 1.00 0.00 H new ATOM 0 HB3 SER A 41 55.863 -3.043 -7.152 1.00 0.00 H new ATOM 0 HG SER A 41 54.792 -1.075 -7.800 1.00 0.00 H new ATOM 607 N GLY A 42 55.377 -3.764 -3.399 1.00 0.00 N ATOM 608 CA GLY A 42 56.335 -4.265 -2.439 1.00 0.00 C ATOM 609 C GLY A 42 57.687 -3.635 -2.681 1.00 0.00 C ATOM 610 O GLY A 42 58.722 -4.197 -2.344 1.00 0.00 O ATOM 0 H GLY A 42 54.726 -3.067 -3.037 1.00 0.00 H new ATOM 0 HA2 GLY A 42 55.997 -4.044 -1.427 1.00 0.00 H new ATOM 0 HA3 GLY A 42 56.410 -5.349 -2.520 1.00 0.00 H new ATOM 614 N GLN A 43 57.655 -2.457 -3.278 1.00 0.00 N ATOM 615 CA GLN A 43 58.840 -1.749 -3.698 1.00 0.00 C ATOM 616 C GLN A 43 59.098 -0.538 -2.855 1.00 0.00 C ATOM 617 O GLN A 43 58.191 0.238 -2.557 1.00 0.00 O ATOM 618 CB GLN A 43 58.708 -1.291 -5.153 1.00 0.00 C ATOM 619 CG GLN A 43 58.962 -2.346 -6.215 1.00 0.00 C ATOM 620 CD GLN A 43 58.884 -1.767 -7.628 1.00 0.00 C ATOM 621 OE1 GLN A 43 59.553 -2.238 -8.550 1.00 0.00 O ATOM 622 NE2 GLN A 43 58.089 -0.733 -7.810 1.00 0.00 N ATOM 0 H GLN A 43 56.788 -1.962 -3.486 1.00 0.00 H new ATOM 0 HA GLN A 43 59.671 -2.446 -3.589 1.00 0.00 H new ATOM 0 HB2 GLN A 43 57.703 -0.895 -5.297 1.00 0.00 H new ATOM 0 HB3 GLN A 43 59.402 -0.467 -5.317 1.00 0.00 H new ATOM 0 HG2 GLN A 43 59.946 -2.789 -6.058 1.00 0.00 H new ATOM 0 HG3 GLN A 43 58.231 -3.148 -6.111 1.00 0.00 H new ATOM 0 HE21 GLN A 43 57.546 -0.363 -7.029 1.00 0.00 H new ATOM 0 HE22 GLN A 43 58.016 -0.302 -8.732 1.00 0.00 H new ATOM 631 N LEU A 44 60.315 -0.386 -2.474 1.00 0.00 N ATOM 632 CA LEU A 44 60.776 0.781 -1.796 1.00 0.00 C ATOM 633 C LEU A 44 62.016 1.281 -2.496 1.00 0.00 C ATOM 634 O LEU A 44 63.034 0.588 -2.529 1.00 0.00 O ATOM 635 CB LEU A 44 61.066 0.469 -0.324 1.00 0.00 C ATOM 636 CG LEU A 44 59.855 0.119 0.527 1.00 0.00 C ATOM 637 CD1 LEU A 44 60.292 -0.423 1.867 1.00 0.00 C ATOM 638 CD2 LEU A 44 58.999 1.348 0.721 1.00 0.00 C ATOM 0 H LEU A 44 61.041 -1.086 -2.627 1.00 0.00 H new ATOM 0 HA LEU A 44 60.007 1.553 -1.820 1.00 0.00 H new ATOM 0 HB2 LEU A 44 61.770 -0.362 -0.280 1.00 0.00 H new ATOM 0 HB3 LEU A 44 61.562 1.332 0.120 1.00 0.00 H new ATOM 0 HG LEU A 44 59.274 -0.648 0.016 1.00 0.00 H new ATOM 0 HD11 LEU A 44 59.414 -0.669 2.464 1.00 0.00 H new ATOM 0 HD12 LEU A 44 60.892 -1.321 1.718 1.00 0.00 H new ATOM 0 HD13 LEU A 44 60.886 0.328 2.387 1.00 0.00 H new ATOM 0 HD21 LEU A 44 58.132 1.095 1.331 1.00 0.00 H new ATOM 0 HD22 LEU A 44 59.581 2.122 1.221 1.00 0.00 H new ATOM 0 HD23 LEU A 44 58.665 1.716 -0.249 1.00 0.00 H new ATOM 650 N ILE A 45 61.912 2.429 -3.112 1.00 0.00 N ATOM 651 CA ILE A 45 63.042 3.033 -3.779 1.00 0.00 C ATOM 652 C ILE A 45 63.757 3.901 -2.778 1.00 0.00 C ATOM 653 O ILE A 45 63.189 4.880 -2.262 1.00 0.00 O ATOM 654 CB ILE A 45 62.590 3.905 -4.996 1.00 0.00 C ATOM 655 CG1 ILE A 45 61.916 3.043 -6.078 1.00 0.00 C ATOM 656 CG2 ILE A 45 63.753 4.710 -5.589 1.00 0.00 C ATOM 657 CD1 ILE A 45 62.818 2.003 -6.710 1.00 0.00 C ATOM 0 H ILE A 45 61.050 2.971 -3.167 1.00 0.00 H new ATOM 0 HA ILE A 45 63.695 2.249 -4.161 1.00 0.00 H new ATOM 0 HB ILE A 45 61.856 4.619 -4.621 1.00 0.00 H new ATOM 0 HG12 ILE A 45 61.055 2.539 -5.638 1.00 0.00 H new ATOM 0 HG13 ILE A 45 61.536 3.699 -6.861 1.00 0.00 H new ATOM 0 HG21 ILE A 45 63.394 5.301 -6.432 1.00 0.00 H new ATOM 0 HG22 ILE A 45 64.161 5.374 -4.827 1.00 0.00 H new ATOM 0 HG23 ILE A 45 64.531 4.027 -5.930 1.00 0.00 H new ATOM 0 HD11 ILE A 45 62.259 1.444 -7.460 1.00 0.00 H new ATOM 0 HD12 ILE A 45 63.666 2.497 -7.184 1.00 0.00 H new ATOM 0 HD13 ILE A 45 63.179 1.319 -5.942 1.00 0.00 H new ATOM 669 N VAL A 46 64.971 3.559 -2.509 1.00 0.00 N ATOM 670 CA VAL A 46 65.761 4.255 -1.545 1.00 0.00 C ATOM 671 C VAL A 46 66.969 4.842 -2.230 1.00 0.00 C ATOM 672 O VAL A 46 67.669 4.148 -2.935 1.00 0.00 O ATOM 673 CB VAL A 46 66.213 3.304 -0.404 1.00 0.00 C ATOM 674 CG1 VAL A 46 67.066 4.036 0.599 1.00 0.00 C ATOM 675 CG2 VAL A 46 65.011 2.679 0.294 1.00 0.00 C ATOM 0 H VAL A 46 65.451 2.778 -2.957 1.00 0.00 H new ATOM 0 HA VAL A 46 65.159 5.049 -1.104 1.00 0.00 H new ATOM 0 HB VAL A 46 66.807 2.508 -0.854 1.00 0.00 H new ATOM 0 HG11 VAL A 46 67.370 3.349 1.388 1.00 0.00 H new ATOM 0 HG12 VAL A 46 67.951 4.433 0.103 1.00 0.00 H new ATOM 0 HG13 VAL A 46 66.494 4.857 1.033 1.00 0.00 H new ATOM 0 HG21 VAL A 46 65.355 2.017 1.089 1.00 0.00 H new ATOM 0 HG22 VAL A 46 64.389 3.465 0.721 1.00 0.00 H new ATOM 0 HG23 VAL A 46 64.428 2.107 -0.428 1.00 0.00 H new ATOM 685 N VAL A 47 67.188 6.107 -2.051 1.00 0.00 N ATOM 686 CA VAL A 47 68.317 6.755 -2.650 1.00 0.00 C ATOM 687 C VAL A 47 69.366 6.954 -1.577 1.00 0.00 C ATOM 688 O VAL A 47 69.146 7.689 -0.595 1.00 0.00 O ATOM 689 CB VAL A 47 67.942 8.118 -3.295 1.00 0.00 C ATOM 690 CG1 VAL A 47 69.148 8.735 -3.998 1.00 0.00 C ATOM 691 CG2 VAL A 47 66.788 7.951 -4.276 1.00 0.00 C ATOM 0 H VAL A 47 66.595 6.718 -1.490 1.00 0.00 H new ATOM 0 HA VAL A 47 68.697 6.126 -3.455 1.00 0.00 H new ATOM 0 HB VAL A 47 67.625 8.791 -2.498 1.00 0.00 H new ATOM 0 HG11 VAL A 47 68.862 9.688 -4.442 1.00 0.00 H new ATOM 0 HG12 VAL A 47 69.947 8.897 -3.275 1.00 0.00 H new ATOM 0 HG13 VAL A 47 69.497 8.061 -4.780 1.00 0.00 H new ATOM 0 HG21 VAL A 47 66.542 8.917 -4.716 1.00 0.00 H new ATOM 0 HG22 VAL A 47 67.078 7.257 -5.065 1.00 0.00 H new ATOM 0 HG23 VAL A 47 65.917 7.559 -3.750 1.00 0.00 H new ATOM 701 N VAL A 48 70.461 6.273 -1.728 1.00 0.00 N ATOM 702 CA VAL A 48 71.531 6.347 -0.776 1.00 0.00 C ATOM 703 C VAL A 48 72.635 7.221 -1.327 1.00 0.00 C ATOM 704 O VAL A 48 73.089 7.032 -2.462 1.00 0.00 O ATOM 705 CB VAL A 48 72.089 4.943 -0.411 1.00 0.00 C ATOM 706 CG1 VAL A 48 73.226 5.057 0.598 1.00 0.00 C ATOM 707 CG2 VAL A 48 70.987 4.063 0.155 1.00 0.00 C ATOM 0 H VAL A 48 70.640 5.649 -2.515 1.00 0.00 H new ATOM 0 HA VAL A 48 71.134 6.783 0.141 1.00 0.00 H new ATOM 0 HB VAL A 48 72.475 4.488 -1.323 1.00 0.00 H new ATOM 0 HG11 VAL A 48 73.600 4.062 0.838 1.00 0.00 H new ATOM 0 HG12 VAL A 48 74.032 5.655 0.172 1.00 0.00 H new ATOM 0 HG13 VAL A 48 72.860 5.536 1.506 1.00 0.00 H new ATOM 0 HG21 VAL A 48 71.396 3.084 0.405 1.00 0.00 H new ATOM 0 HG22 VAL A 48 70.577 4.525 1.053 1.00 0.00 H new ATOM 0 HG23 VAL A 48 70.196 3.948 -0.587 1.00 0.00 H new ATOM 717 N GLU A 49 73.028 8.176 -0.541 1.00 0.00 N ATOM 718 CA GLU A 49 74.054 9.106 -0.888 1.00 0.00 C ATOM 719 C GLU A 49 75.188 9.014 0.130 1.00 0.00 C ATOM 720 O GLU A 49 74.972 9.157 1.344 1.00 0.00 O ATOM 721 CB GLU A 49 73.464 10.526 -0.950 1.00 0.00 C ATOM 722 CG GLU A 49 72.726 10.951 0.314 1.00 0.00 C ATOM 723 CD GLU A 49 72.077 12.297 0.196 1.00 0.00 C ATOM 724 OE1 GLU A 49 71.135 12.436 -0.618 1.00 0.00 O ATOM 725 OE2 GLU A 49 72.471 13.234 0.936 1.00 0.00 O ATOM 0 H GLU A 49 72.631 8.333 0.386 1.00 0.00 H new ATOM 0 HA GLU A 49 74.460 8.867 -1.871 1.00 0.00 H new ATOM 0 HB2 GLU A 49 74.270 11.234 -1.142 1.00 0.00 H new ATOM 0 HB3 GLU A 49 72.778 10.586 -1.795 1.00 0.00 H new ATOM 0 HG2 GLU A 49 71.965 10.207 0.550 1.00 0.00 H new ATOM 0 HG3 GLU A 49 73.427 10.965 1.149 1.00 0.00 H new ATOM 732 N ALA A 50 76.366 8.736 -0.339 1.00 0.00 N ATOM 733 CA ALA A 50 77.514 8.656 0.529 1.00 0.00 C ATOM 734 C ALA A 50 78.752 8.967 -0.258 1.00 0.00 C ATOM 735 O ALA A 50 78.860 8.583 -1.416 1.00 0.00 O ATOM 736 CB ALA A 50 77.620 7.278 1.160 1.00 0.00 C ATOM 0 H ALA A 50 76.564 8.559 -1.324 1.00 0.00 H new ATOM 0 HA ALA A 50 77.402 9.384 1.333 1.00 0.00 H new ATOM 0 HB1 ALA A 50 78.494 7.242 1.811 1.00 0.00 H new ATOM 0 HB2 ALA A 50 76.723 7.076 1.745 1.00 0.00 H new ATOM 0 HB3 ALA A 50 77.719 6.526 0.377 1.00 0.00 H new ATOM 742 N GLU A 51 79.677 9.670 0.345 1.00 0.00 N ATOM 743 CA GLU A 51 80.881 10.043 -0.352 1.00 0.00 C ATOM 744 C GLU A 51 81.872 8.893 -0.343 1.00 0.00 C ATOM 745 O GLU A 51 82.346 8.460 -1.395 1.00 0.00 O ATOM 746 CB GLU A 51 81.489 11.295 0.261 1.00 0.00 C ATOM 747 CG GLU A 51 82.712 11.804 -0.469 1.00 0.00 C ATOM 748 CD GLU A 51 83.327 12.985 0.212 1.00 0.00 C ATOM 749 OE1 GLU A 51 83.973 12.807 1.250 1.00 0.00 O ATOM 750 OE2 GLU A 51 83.202 14.124 -0.297 1.00 0.00 O ATOM 0 H GLU A 51 79.620 9.994 1.311 1.00 0.00 H new ATOM 0 HA GLU A 51 80.629 10.267 -1.389 1.00 0.00 H new ATOM 0 HB2 GLU A 51 80.735 12.082 0.279 1.00 0.00 H new ATOM 0 HB3 GLU A 51 81.757 11.087 1.297 1.00 0.00 H new ATOM 0 HG2 GLU A 51 83.449 11.004 -0.541 1.00 0.00 H new ATOM 0 HG3 GLU A 51 82.437 12.077 -1.488 1.00 0.00 H new ATOM 757 N ASP A 52 82.162 8.392 0.837 1.00 0.00 N ATOM 758 CA ASP A 52 83.099 7.292 0.975 1.00 0.00 C ATOM 759 C ASP A 52 82.429 6.011 0.568 1.00 0.00 C ATOM 760 O ASP A 52 81.224 5.824 0.814 1.00 0.00 O ATOM 761 CB ASP A 52 83.610 7.156 2.410 1.00 0.00 C ATOM 762 CG ASP A 52 84.331 8.369 2.915 1.00 0.00 C ATOM 763 OD1 ASP A 52 83.672 9.288 3.428 1.00 0.00 O ATOM 764 OD2 ASP A 52 85.578 8.418 2.830 1.00 0.00 O ATOM 0 H ASP A 52 81.765 8.726 1.715 1.00 0.00 H new ATOM 0 HA ASP A 52 83.953 7.499 0.330 1.00 0.00 H new ATOM 0 HB2 ASP A 52 82.766 6.947 3.068 1.00 0.00 H new ATOM 0 HB3 ASP A 52 84.279 6.297 2.467 1.00 0.00 H new ATOM 769 N SER A 53 83.192 5.124 -0.012 1.00 0.00 N ATOM 770 CA SER A 53 82.688 3.870 -0.501 1.00 0.00 C ATOM 771 C SER A 53 82.185 3.008 0.671 1.00 0.00 C ATOM 772 O SER A 53 81.109 2.405 0.598 1.00 0.00 O ATOM 773 CB SER A 53 83.794 3.160 -1.304 1.00 0.00 C ATOM 774 OG SER A 53 83.325 1.993 -1.955 1.00 0.00 O ATOM 0 H SER A 53 84.193 5.254 -0.160 1.00 0.00 H new ATOM 0 HA SER A 53 81.840 4.040 -1.164 1.00 0.00 H new ATOM 0 HB2 SER A 53 84.199 3.848 -2.046 1.00 0.00 H new ATOM 0 HB3 SER A 53 84.612 2.895 -0.634 1.00 0.00 H new ATOM 0 HG SER A 53 84.060 1.578 -2.453 1.00 0.00 H new ATOM 780 N GLU A 54 82.920 3.016 1.785 1.00 0.00 N ATOM 781 CA GLU A 54 82.521 2.225 2.941 1.00 0.00 C ATOM 782 C GLU A 54 81.317 2.829 3.625 1.00 0.00 C ATOM 783 O GLU A 54 80.518 2.123 4.210 1.00 0.00 O ATOM 784 CB GLU A 54 83.659 2.019 3.930 1.00 0.00 C ATOM 785 CG GLU A 54 84.232 3.282 4.539 1.00 0.00 C ATOM 786 CD GLU A 54 85.332 2.957 5.498 1.00 0.00 C ATOM 787 OE1 GLU A 54 86.351 2.403 5.056 1.00 0.00 O ATOM 788 OE2 GLU A 54 85.188 3.206 6.707 1.00 0.00 O ATOM 0 H GLU A 54 83.779 3.553 1.907 1.00 0.00 H new ATOM 0 HA GLU A 54 82.247 1.240 2.564 1.00 0.00 H new ATOM 0 HB2 GLU A 54 83.304 1.377 4.736 1.00 0.00 H new ATOM 0 HB3 GLU A 54 84.463 1.483 3.425 1.00 0.00 H new ATOM 0 HG2 GLU A 54 84.611 3.932 3.750 1.00 0.00 H new ATOM 0 HG3 GLU A 54 83.445 3.832 5.054 1.00 0.00 H new ATOM 795 N THR A 55 81.182 4.131 3.520 1.00 0.00 N ATOM 796 CA THR A 55 80.051 4.824 4.064 1.00 0.00 C ATOM 797 C THR A 55 78.784 4.386 3.313 1.00 0.00 C ATOM 798 O THR A 55 77.710 4.226 3.904 1.00 0.00 O ATOM 799 CB THR A 55 80.283 6.336 3.952 1.00 0.00 C ATOM 800 OG1 THR A 55 81.529 6.637 4.606 1.00 0.00 O ATOM 801 CG2 THR A 55 79.169 7.126 4.617 1.00 0.00 C ATOM 0 H THR A 55 81.858 4.735 3.053 1.00 0.00 H new ATOM 0 HA THR A 55 79.921 4.580 5.119 1.00 0.00 H new ATOM 0 HB THR A 55 80.303 6.616 2.899 1.00 0.00 H new ATOM 0 HG1 THR A 55 81.658 7.608 4.633 1.00 0.00 H new ATOM 0 HG21 THR A 55 79.369 8.193 4.517 1.00 0.00 H new ATOM 0 HG22 THR A 55 78.219 6.889 4.138 1.00 0.00 H new ATOM 0 HG23 THR A 55 79.118 6.864 5.674 1.00 0.00 H new ATOM 809 N LEU A 56 78.941 4.135 2.016 1.00 0.00 N ATOM 810 CA LEU A 56 77.859 3.618 1.206 1.00 0.00 C ATOM 811 C LEU A 56 77.538 2.200 1.688 1.00 0.00 C ATOM 812 O LEU A 56 76.382 1.875 1.981 1.00 0.00 O ATOM 813 CB LEU A 56 78.270 3.581 -0.272 1.00 0.00 C ATOM 814 CG LEU A 56 77.182 3.157 -1.260 1.00 0.00 C ATOM 815 CD1 LEU A 56 76.113 4.225 -1.385 1.00 0.00 C ATOM 816 CD2 LEU A 56 77.773 2.813 -2.613 1.00 0.00 C ATOM 0 H LEU A 56 79.813 4.284 1.509 1.00 0.00 H new ATOM 0 HA LEU A 56 76.984 4.261 1.302 1.00 0.00 H new ATOM 0 HB2 LEU A 56 78.624 4.572 -0.555 1.00 0.00 H new ATOM 0 HB3 LEU A 56 79.114 2.899 -0.377 1.00 0.00 H new ATOM 0 HG LEU A 56 76.709 2.257 -0.867 1.00 0.00 H new ATOM 0 HD11 LEU A 56 75.352 3.897 -2.094 1.00 0.00 H new ATOM 0 HD12 LEU A 56 75.653 4.395 -0.412 1.00 0.00 H new ATOM 0 HD13 LEU A 56 76.564 5.152 -1.740 1.00 0.00 H new ATOM 0 HD21 LEU A 56 76.975 2.515 -3.293 1.00 0.00 H new ATOM 0 HD22 LEU A 56 78.288 3.684 -3.017 1.00 0.00 H new ATOM 0 HD23 LEU A 56 78.481 1.992 -2.503 1.00 0.00 H new ATOM 828 N ILE A 57 78.595 1.384 1.821 1.00 0.00 N ATOM 829 CA ILE A 57 78.487 -0.008 2.281 1.00 0.00 C ATOM 830 C ILE A 57 77.763 -0.095 3.635 1.00 0.00 C ATOM 831 O ILE A 57 76.793 -0.823 3.761 1.00 0.00 O ATOM 832 CB ILE A 57 79.888 -0.697 2.390 1.00 0.00 C ATOM 833 CG1 ILE A 57 80.627 -0.689 1.033 1.00 0.00 C ATOM 834 CG2 ILE A 57 79.777 -2.129 2.931 1.00 0.00 C ATOM 835 CD1 ILE A 57 79.905 -1.408 -0.095 1.00 0.00 C ATOM 0 H ILE A 57 79.551 1.672 1.612 1.00 0.00 H new ATOM 0 HA ILE A 57 77.901 -0.538 1.531 1.00 0.00 H new ATOM 0 HB ILE A 57 80.473 -0.114 3.102 1.00 0.00 H new ATOM 0 HG12 ILE A 57 80.797 0.346 0.735 1.00 0.00 H new ATOM 0 HG13 ILE A 57 81.607 -1.147 1.167 1.00 0.00 H new ATOM 0 HG21 ILE A 57 80.771 -2.573 2.992 1.00 0.00 H new ATOM 0 HG22 ILE A 57 79.327 -2.109 3.924 1.00 0.00 H new ATOM 0 HG23 ILE A 57 79.154 -2.723 2.262 1.00 0.00 H new ATOM 0 HD11 ILE A 57 80.501 -1.348 -1.005 1.00 0.00 H new ATOM 0 HD12 ILE A 57 79.759 -2.454 0.175 1.00 0.00 H new ATOM 0 HD13 ILE A 57 78.936 -0.938 -0.264 1.00 0.00 H new ATOM 847 N GLN A 58 78.219 0.690 4.618 1.00 0.00 N ATOM 848 CA GLN A 58 77.637 0.701 5.982 1.00 0.00 C ATOM 849 C GLN A 58 76.149 1.054 5.969 1.00 0.00 C ATOM 850 O GLN A 58 75.345 0.504 6.755 1.00 0.00 O ATOM 851 CB GLN A 58 78.397 1.676 6.886 1.00 0.00 C ATOM 852 CG GLN A 58 79.850 1.285 7.156 1.00 0.00 C ATOM 853 CD GLN A 58 80.003 0.063 8.050 1.00 0.00 C ATOM 854 OE1 GLN A 58 79.154 -0.832 8.089 1.00 0.00 O ATOM 855 NE2 GLN A 58 81.096 0.008 8.759 1.00 0.00 N ATOM 0 H GLN A 58 78.999 1.337 4.500 1.00 0.00 H new ATOM 0 HA GLN A 58 77.736 -0.309 6.379 1.00 0.00 H new ATOM 0 HB2 GLN A 58 78.379 2.665 6.429 1.00 0.00 H new ATOM 0 HB3 GLN A 58 77.872 1.755 7.838 1.00 0.00 H new ATOM 0 HG2 GLN A 58 80.347 1.092 6.205 1.00 0.00 H new ATOM 0 HG3 GLN A 58 80.363 2.128 7.619 1.00 0.00 H new ATOM 0 HE21 GLN A 58 81.778 0.764 8.704 1.00 0.00 H new ATOM 0 HE22 GLN A 58 81.269 -0.791 9.368 1.00 0.00 H new ATOM 864 N THR A 59 75.774 1.938 5.077 1.00 0.00 N ATOM 865 CA THR A 59 74.400 2.339 4.955 1.00 0.00 C ATOM 866 C THR A 59 73.563 1.191 4.352 1.00 0.00 C ATOM 867 O THR A 59 72.514 0.823 4.896 1.00 0.00 O ATOM 868 CB THR A 59 74.278 3.623 4.114 1.00 0.00 C ATOM 869 OG1 THR A 59 75.150 4.629 4.677 1.00 0.00 O ATOM 870 CG2 THR A 59 72.853 4.143 4.139 1.00 0.00 C ATOM 0 H THR A 59 76.409 2.394 4.422 1.00 0.00 H new ATOM 0 HA THR A 59 74.009 2.559 5.948 1.00 0.00 H new ATOM 0 HB THR A 59 74.556 3.401 3.084 1.00 0.00 H new ATOM 0 HG1 THR A 59 76.071 4.463 4.386 1.00 0.00 H new ATOM 0 HG21 THR A 59 72.786 5.051 3.539 1.00 0.00 H new ATOM 0 HG22 THR A 59 72.183 3.387 3.729 1.00 0.00 H new ATOM 0 HG23 THR A 59 72.565 4.365 5.166 1.00 0.00 H new ATOM 878 N ILE A 60 74.068 0.589 3.271 1.00 0.00 N ATOM 879 CA ILE A 60 73.395 -0.546 2.622 1.00 0.00 C ATOM 880 C ILE A 60 73.317 -1.731 3.598 1.00 0.00 C ATOM 881 O ILE A 60 72.300 -2.422 3.682 1.00 0.00 O ATOM 882 CB ILE A 60 74.130 -0.966 1.312 1.00 0.00 C ATOM 883 CG1 ILE A 60 74.158 0.216 0.327 1.00 0.00 C ATOM 884 CG2 ILE A 60 73.451 -2.182 0.668 1.00 0.00 C ATOM 885 CD1 ILE A 60 74.930 -0.049 -0.950 1.00 0.00 C ATOM 0 H ILE A 60 74.942 0.867 2.824 1.00 0.00 H new ATOM 0 HA ILE A 60 72.385 -0.238 2.350 1.00 0.00 H new ATOM 0 HB ILE A 60 75.153 -1.246 1.563 1.00 0.00 H new ATOM 0 HG12 ILE A 60 73.133 0.482 0.069 1.00 0.00 H new ATOM 0 HG13 ILE A 60 74.595 1.080 0.828 1.00 0.00 H new ATOM 0 HG21 ILE A 60 73.982 -2.455 -0.244 1.00 0.00 H new ATOM 0 HG22 ILE A 60 73.470 -3.021 1.364 1.00 0.00 H new ATOM 0 HG23 ILE A 60 72.417 -1.935 0.425 1.00 0.00 H new ATOM 0 HD11 ILE A 60 74.898 0.836 -1.585 1.00 0.00 H new ATOM 0 HD12 ILE A 60 75.966 -0.283 -0.707 1.00 0.00 H new ATOM 0 HD13 ILE A 60 74.482 -0.891 -1.478 1.00 0.00 H new ATOM 897 N GLU A 61 74.389 -1.916 4.350 1.00 0.00 N ATOM 898 CA GLU A 61 74.498 -2.932 5.390 1.00 0.00 C ATOM 899 C GLU A 61 73.343 -2.780 6.383 1.00 0.00 C ATOM 900 O GLU A 61 72.614 -3.728 6.651 1.00 0.00 O ATOM 901 CB GLU A 61 75.837 -2.745 6.112 1.00 0.00 C ATOM 902 CG GLU A 61 76.123 -3.729 7.224 1.00 0.00 C ATOM 903 CD GLU A 61 76.232 -5.145 6.751 1.00 0.00 C ATOM 904 OE1 GLU A 61 77.158 -5.453 5.976 1.00 0.00 O ATOM 905 OE2 GLU A 61 75.430 -5.994 7.190 1.00 0.00 O ATOM 0 H GLU A 61 75.232 -1.350 4.253 1.00 0.00 H new ATOM 0 HA GLU A 61 74.450 -3.928 4.949 1.00 0.00 H new ATOM 0 HB2 GLU A 61 76.638 -2.813 5.376 1.00 0.00 H new ATOM 0 HB3 GLU A 61 75.868 -1.737 6.526 1.00 0.00 H new ATOM 0 HG2 GLU A 61 77.052 -3.447 7.719 1.00 0.00 H new ATOM 0 HG3 GLU A 61 75.331 -3.663 7.970 1.00 0.00 H new ATOM 912 N SER A 62 73.169 -1.572 6.880 1.00 0.00 N ATOM 913 CA SER A 62 72.116 -1.235 7.812 1.00 0.00 C ATOM 914 C SER A 62 70.730 -1.546 7.243 1.00 0.00 C ATOM 915 O SER A 62 69.865 -2.091 7.936 1.00 0.00 O ATOM 916 CB SER A 62 72.226 0.231 8.125 1.00 0.00 C ATOM 917 OG SER A 62 73.439 0.520 8.820 1.00 0.00 O ATOM 0 H SER A 62 73.769 -0.782 6.641 1.00 0.00 H new ATOM 0 HA SER A 62 72.232 -1.836 8.714 1.00 0.00 H new ATOM 0 HB2 SER A 62 72.187 0.807 7.200 1.00 0.00 H new ATOM 0 HB3 SER A 62 71.374 0.541 8.730 1.00 0.00 H new ATOM 0 HG SER A 62 74.184 0.537 8.184 1.00 0.00 H new ATOM 923 N VAL A 63 70.555 -1.207 5.988 1.00 0.00 N ATOM 924 CA VAL A 63 69.337 -1.460 5.238 1.00 0.00 C ATOM 925 C VAL A 63 69.048 -2.971 5.157 1.00 0.00 C ATOM 926 O VAL A 63 67.936 -3.416 5.418 1.00 0.00 O ATOM 927 CB VAL A 63 69.494 -0.852 3.821 1.00 0.00 C ATOM 928 CG1 VAL A 63 68.457 -1.377 2.824 1.00 0.00 C ATOM 929 CG2 VAL A 63 69.425 0.670 3.887 1.00 0.00 C ATOM 0 H VAL A 63 71.274 -0.734 5.440 1.00 0.00 H new ATOM 0 HA VAL A 63 68.492 -0.994 5.744 1.00 0.00 H new ATOM 0 HB VAL A 63 70.473 -1.164 3.457 1.00 0.00 H new ATOM 0 HG11 VAL A 63 68.620 -0.913 1.851 1.00 0.00 H new ATOM 0 HG12 VAL A 63 68.556 -2.459 2.732 1.00 0.00 H new ATOM 0 HG13 VAL A 63 67.455 -1.133 3.178 1.00 0.00 H new ATOM 0 HG21 VAL A 63 69.537 1.083 2.885 1.00 0.00 H new ATOM 0 HG22 VAL A 63 68.462 0.973 4.299 1.00 0.00 H new ATOM 0 HG23 VAL A 63 70.226 1.043 4.525 1.00 0.00 H new ATOM 939 N ARG A 64 70.082 -3.750 4.857 1.00 0.00 N ATOM 940 CA ARG A 64 69.958 -5.211 4.729 1.00 0.00 C ATOM 941 C ARG A 64 69.787 -5.885 6.091 1.00 0.00 C ATOM 942 O ARG A 64 69.507 -7.086 6.179 1.00 0.00 O ATOM 943 CB ARG A 64 71.160 -5.802 4.001 1.00 0.00 C ATOM 944 CG ARG A 64 71.353 -5.263 2.601 1.00 0.00 C ATOM 945 CD ARG A 64 72.478 -5.973 1.879 1.00 0.00 C ATOM 946 NE ARG A 64 72.172 -7.391 1.663 1.00 0.00 N ATOM 947 CZ ARG A 64 73.053 -8.325 1.287 1.00 0.00 C ATOM 948 NH1 ARG A 64 74.335 -8.010 1.118 1.00 0.00 N ATOM 949 NH2 ARG A 64 72.648 -9.581 1.091 1.00 0.00 N ATOM 0 H ARG A 64 71.025 -3.397 4.695 1.00 0.00 H new ATOM 0 HA ARG A 64 69.062 -5.404 4.140 1.00 0.00 H new ATOM 0 HB2 ARG A 64 72.059 -5.603 4.584 1.00 0.00 H new ATOM 0 HB3 ARG A 64 71.046 -6.885 3.951 1.00 0.00 H new ATOM 0 HG2 ARG A 64 70.428 -5.378 2.036 1.00 0.00 H new ATOM 0 HG3 ARG A 64 71.567 -4.195 2.648 1.00 0.00 H new ATOM 0 HD2 ARG A 64 72.658 -5.489 0.919 1.00 0.00 H new ATOM 0 HD3 ARG A 64 73.397 -5.883 2.458 1.00 0.00 H new ATOM 0 HE ARG A 64 71.208 -7.690 1.812 1.00 0.00 H new ATOM 0 HH11 ARG A 64 74.650 -7.053 1.275 1.00 0.00 H new ATOM 0 HH12 ARG A 64 75.003 -8.726 0.831 1.00 0.00 H new ATOM 0 HH21 ARG A 64 71.668 -9.828 1.228 1.00 0.00 H new ATOM 0 HH22 ARG A 64 73.318 -10.294 0.804 1.00 0.00 H new ATOM 963 N ASN A 65 69.970 -5.118 7.140 1.00 0.00 N ATOM 964 CA ASN A 65 69.794 -5.600 8.499 1.00 0.00 C ATOM 965 C ASN A 65 68.353 -5.475 8.950 1.00 0.00 C ATOM 966 O ASN A 65 67.992 -5.909 10.046 1.00 0.00 O ATOM 967 CB ASN A 65 70.756 -4.903 9.476 1.00 0.00 C ATOM 968 CG ASN A 65 72.083 -5.631 9.628 1.00 0.00 C ATOM 969 OD1 ASN A 65 72.253 -6.458 10.526 1.00 0.00 O ATOM 970 ND2 ASN A 65 73.009 -5.376 8.755 1.00 0.00 N ATOM 0 H ASN A 65 70.246 -4.138 7.080 1.00 0.00 H new ATOM 0 HA ASN A 65 70.044 -6.661 8.502 1.00 0.00 H new ATOM 0 HB2 ASN A 65 70.944 -3.887 9.129 1.00 0.00 H new ATOM 0 HB3 ASN A 65 70.278 -4.823 10.452 1.00 0.00 H new ATOM 0 HD21 ASN A 65 73.903 -5.865 8.802 1.00 0.00 H new ATOM 0 HD22 ASN A 65 72.843 -4.687 8.022 1.00 0.00 H new ATOM 977 N VAL A 66 67.521 -4.885 8.112 1.00 0.00 N ATOM 978 CA VAL A 66 66.108 -4.805 8.397 1.00 0.00 C ATOM 979 C VAL A 66 65.445 -6.058 7.890 1.00 0.00 C ATOM 980 O VAL A 66 65.529 -6.395 6.694 1.00 0.00 O ATOM 981 CB VAL A 66 65.423 -3.568 7.775 1.00 0.00 C ATOM 982 CG1 VAL A 66 63.947 -3.560 8.147 1.00 0.00 C ATOM 983 CG2 VAL A 66 66.096 -2.286 8.249 1.00 0.00 C ATOM 0 H VAL A 66 67.803 -4.456 7.231 1.00 0.00 H new ATOM 0 HA VAL A 66 65.999 -4.705 9.477 1.00 0.00 H new ATOM 0 HB VAL A 66 65.519 -3.620 6.690 1.00 0.00 H new ATOM 0 HG11 VAL A 66 63.466 -2.687 7.707 1.00 0.00 H new ATOM 0 HG12 VAL A 66 63.472 -4.465 7.769 1.00 0.00 H new ATOM 0 HG13 VAL A 66 63.845 -3.523 9.232 1.00 0.00 H new ATOM 0 HG21 VAL A 66 65.599 -1.426 7.800 1.00 0.00 H new ATOM 0 HG22 VAL A 66 66.027 -2.219 9.335 1.00 0.00 H new ATOM 0 HG23 VAL A 66 67.145 -2.294 7.952 1.00 0.00 H new ATOM 993 N GLU A 67 64.829 -6.772 8.785 1.00 0.00 N ATOM 994 CA GLU A 67 64.205 -7.969 8.444 1.00 0.00 C ATOM 995 C GLU A 67 62.843 -7.729 7.875 1.00 0.00 C ATOM 996 O GLU A 67 61.874 -7.381 8.572 1.00 0.00 O ATOM 997 CB GLU A 67 64.204 -8.904 9.594 1.00 0.00 C ATOM 998 CG GLU A 67 65.596 -9.211 10.049 1.00 0.00 C ATOM 999 CD GLU A 67 65.657 -10.343 11.047 1.00 0.00 C ATOM 1000 OE1 GLU A 67 65.166 -10.184 12.188 1.00 0.00 O ATOM 1001 OE2 GLU A 67 66.212 -11.417 10.708 1.00 0.00 O ATOM 0 H GLU A 67 64.758 -6.520 9.771 1.00 0.00 H new ATOM 0 HA GLU A 67 64.778 -8.451 7.652 1.00 0.00 H new ATOM 0 HB2 GLU A 67 63.638 -8.469 10.418 1.00 0.00 H new ATOM 0 HB3 GLU A 67 63.699 -9.828 9.313 1.00 0.00 H new ATOM 0 HG2 GLU A 67 66.207 -9.465 9.183 1.00 0.00 H new ATOM 0 HG3 GLU A 67 66.031 -8.317 10.496 1.00 0.00 H new ATOM 1008 N GLY A 68 62.798 -7.902 6.617 1.00 0.00 N ATOM 1009 CA GLY A 68 61.641 -7.663 5.858 1.00 0.00 C ATOM 1010 C GLY A 68 62.016 -7.455 4.427 1.00 0.00 C ATOM 1011 O GLY A 68 61.150 -7.419 3.546 1.00 0.00 O ATOM 0 H GLY A 68 63.593 -8.225 6.066 1.00 0.00 H new ATOM 0 HA2 GLY A 68 60.955 -8.506 5.946 1.00 0.00 H new ATOM 0 HA3 GLY A 68 61.118 -6.786 6.239 1.00 0.00 H new ATOM 1015 N VAL A 69 63.313 -7.310 4.185 1.00 0.00 N ATOM 1016 CA VAL A 69 63.801 -7.137 2.835 1.00 0.00 C ATOM 1017 C VAL A 69 63.896 -8.495 2.157 1.00 0.00 C ATOM 1018 O VAL A 69 64.570 -9.399 2.648 1.00 0.00 O ATOM 1019 CB VAL A 69 65.190 -6.420 2.785 1.00 0.00 C ATOM 1020 CG1 VAL A 69 65.659 -6.241 1.349 1.00 0.00 C ATOM 1021 CG2 VAL A 69 65.141 -5.079 3.506 1.00 0.00 C ATOM 0 H VAL A 69 64.036 -7.310 4.904 1.00 0.00 H new ATOM 0 HA VAL A 69 63.093 -6.497 2.308 1.00 0.00 H new ATOM 0 HB VAL A 69 65.910 -7.055 3.301 1.00 0.00 H new ATOM 0 HG11 VAL A 69 66.627 -5.740 1.342 1.00 0.00 H new ATOM 0 HG12 VAL A 69 65.752 -7.217 0.872 1.00 0.00 H new ATOM 0 HG13 VAL A 69 64.934 -5.638 0.802 1.00 0.00 H new ATOM 0 HG21 VAL A 69 66.120 -4.603 3.455 1.00 0.00 H new ATOM 0 HG22 VAL A 69 64.400 -4.437 3.030 1.00 0.00 H new ATOM 0 HG23 VAL A 69 64.868 -5.237 4.549 1.00 0.00 H new ATOM 1031 N LEU A 70 63.211 -8.632 1.050 1.00 0.00 N ATOM 1032 CA LEU A 70 63.215 -9.852 0.281 1.00 0.00 C ATOM 1033 C LEU A 70 64.452 -9.860 -0.578 1.00 0.00 C ATOM 1034 O LEU A 70 65.246 -10.800 -0.548 1.00 0.00 O ATOM 1035 CB LEU A 70 61.974 -9.909 -0.623 1.00 0.00 C ATOM 1036 CG LEU A 70 60.611 -9.910 0.072 1.00 0.00 C ATOM 1037 CD1 LEU A 70 59.500 -9.785 -0.957 1.00 0.00 C ATOM 1038 CD2 LEU A 70 60.432 -11.184 0.886 1.00 0.00 C ATOM 0 H LEU A 70 62.630 -7.894 0.653 1.00 0.00 H new ATOM 0 HA LEU A 70 63.203 -10.712 0.951 1.00 0.00 H new ATOM 0 HB2 LEU A 70 62.009 -9.056 -1.301 1.00 0.00 H new ATOM 0 HB3 LEU A 70 62.042 -10.807 -1.237 1.00 0.00 H new ATOM 0 HG LEU A 70 60.563 -9.056 0.748 1.00 0.00 H new ATOM 0 HD11 LEU A 70 58.534 -9.787 -0.452 1.00 0.00 H new ATOM 0 HD12 LEU A 70 59.619 -8.853 -1.509 1.00 0.00 H new ATOM 0 HD13 LEU A 70 59.549 -10.626 -1.649 1.00 0.00 H new ATOM 0 HD21 LEU A 70 59.458 -11.170 1.374 1.00 0.00 H new ATOM 0 HD22 LEU A 70 60.495 -12.049 0.226 1.00 0.00 H new ATOM 0 HD23 LEU A 70 61.216 -11.246 1.641 1.00 0.00 H new ATOM 1050 N ALA A 71 64.614 -8.791 -1.322 1.00 0.00 N ATOM 1051 CA ALA A 71 65.729 -8.613 -2.206 1.00 0.00 C ATOM 1052 C ALA A 71 65.970 -7.143 -2.382 1.00 0.00 C ATOM 1053 O ALA A 71 65.058 -6.397 -2.725 1.00 0.00 O ATOM 1054 CB ALA A 71 65.449 -9.247 -3.562 1.00 0.00 C ATOM 0 H ALA A 71 63.959 -8.009 -1.326 1.00 0.00 H new ATOM 0 HA ALA A 71 66.607 -9.095 -1.777 1.00 0.00 H new ATOM 0 HB1 ALA A 71 66.308 -9.100 -4.217 1.00 0.00 H new ATOM 0 HB2 ALA A 71 65.268 -10.314 -3.434 1.00 0.00 H new ATOM 0 HB3 ALA A 71 64.570 -8.781 -4.007 1.00 0.00 H new ATOM 1060 N VAL A 72 67.149 -6.715 -2.096 1.00 0.00 N ATOM 1061 CA VAL A 72 67.512 -5.349 -2.327 1.00 0.00 C ATOM 1062 C VAL A 72 68.485 -5.268 -3.490 1.00 0.00 C ATOM 1063 O VAL A 72 69.651 -5.720 -3.404 1.00 0.00 O ATOM 1064 CB VAL A 72 68.026 -4.611 -1.047 1.00 0.00 C ATOM 1065 CG1 VAL A 72 69.095 -5.404 -0.325 1.00 0.00 C ATOM 1066 CG2 VAL A 72 68.527 -3.208 -1.379 1.00 0.00 C ATOM 0 H VAL A 72 67.890 -7.292 -1.698 1.00 0.00 H new ATOM 0 HA VAL A 72 66.606 -4.806 -2.597 1.00 0.00 H new ATOM 0 HB VAL A 72 67.175 -4.519 -0.373 1.00 0.00 H new ATOM 0 HG11 VAL A 72 69.423 -4.854 0.557 1.00 0.00 H new ATOM 0 HG12 VAL A 72 68.689 -6.369 -0.021 1.00 0.00 H new ATOM 0 HG13 VAL A 72 69.944 -5.561 -0.991 1.00 0.00 H new ATOM 0 HG21 VAL A 72 68.877 -2.722 -0.468 1.00 0.00 H new ATOM 0 HG22 VAL A 72 69.347 -3.274 -2.094 1.00 0.00 H new ATOM 0 HG23 VAL A 72 67.715 -2.625 -1.812 1.00 0.00 H new ATOM 1076 N SER A 73 67.989 -4.745 -4.570 1.00 0.00 N ATOM 1077 CA SER A 73 68.730 -4.619 -5.778 1.00 0.00 C ATOM 1078 C SER A 73 69.439 -3.279 -5.797 1.00 0.00 C ATOM 1079 O SER A 73 68.804 -2.215 -5.672 1.00 0.00 O ATOM 1080 CB SER A 73 67.773 -4.746 -6.954 1.00 0.00 C ATOM 1081 OG SER A 73 67.018 -5.954 -6.859 1.00 0.00 O ATOM 0 H SER A 73 67.036 -4.387 -4.632 1.00 0.00 H new ATOM 0 HA SER A 73 69.483 -5.404 -5.848 1.00 0.00 H new ATOM 0 HB2 SER A 73 67.099 -3.890 -6.975 1.00 0.00 H new ATOM 0 HB3 SER A 73 68.333 -4.734 -7.889 1.00 0.00 H new ATOM 0 HG SER A 73 66.407 -6.019 -7.622 1.00 0.00 H new ATOM 1087 N LEU A 74 70.737 -3.328 -5.910 1.00 0.00 N ATOM 1088 CA LEU A 74 71.548 -2.151 -5.914 1.00 0.00 C ATOM 1089 C LEU A 74 71.567 -1.583 -7.317 1.00 0.00 C ATOM 1090 O LEU A 74 72.011 -2.236 -8.269 1.00 0.00 O ATOM 1091 CB LEU A 74 72.958 -2.504 -5.391 1.00 0.00 C ATOM 1092 CG LEU A 74 73.872 -1.351 -4.911 1.00 0.00 C ATOM 1093 CD1 LEU A 74 75.072 -1.916 -4.178 1.00 0.00 C ATOM 1094 CD2 LEU A 74 74.356 -0.487 -6.061 1.00 0.00 C ATOM 0 H LEU A 74 71.263 -4.197 -6.003 1.00 0.00 H new ATOM 0 HA LEU A 74 71.143 -1.386 -5.252 1.00 0.00 H new ATOM 0 HB2 LEU A 74 72.840 -3.202 -4.562 1.00 0.00 H new ATOM 0 HB3 LEU A 74 73.483 -3.037 -6.184 1.00 0.00 H new ATOM 0 HG LEU A 74 73.279 -0.725 -4.244 1.00 0.00 H new ATOM 0 HD11 LEU A 74 75.711 -1.099 -3.843 1.00 0.00 H new ATOM 0 HD12 LEU A 74 74.734 -2.490 -3.315 1.00 0.00 H new ATOM 0 HD13 LEU A 74 75.635 -2.566 -4.848 1.00 0.00 H new ATOM 0 HD21 LEU A 74 74.994 0.308 -5.675 1.00 0.00 H new ATOM 0 HD22 LEU A 74 74.923 -1.099 -6.762 1.00 0.00 H new ATOM 0 HD23 LEU A 74 73.499 -0.049 -6.573 1.00 0.00 H new ATOM 1106 N VAL A 75 71.029 -0.412 -7.446 1.00 0.00 N ATOM 1107 CA VAL A 75 70.960 0.273 -8.689 1.00 0.00 C ATOM 1108 C VAL A 75 71.959 1.419 -8.679 1.00 0.00 C ATOM 1109 O VAL A 75 71.668 2.537 -8.240 1.00 0.00 O ATOM 1110 CB VAL A 75 69.526 0.793 -8.965 1.00 0.00 C ATOM 1111 CG1 VAL A 75 69.450 1.538 -10.279 1.00 0.00 C ATOM 1112 CG2 VAL A 75 68.528 -0.356 -8.957 1.00 0.00 C ATOM 0 H VAL A 75 70.617 0.103 -6.668 1.00 0.00 H new ATOM 0 HA VAL A 75 71.211 -0.420 -9.492 1.00 0.00 H new ATOM 0 HB VAL A 75 69.271 1.489 -8.166 1.00 0.00 H new ATOM 0 HG11 VAL A 75 68.430 1.888 -10.440 1.00 0.00 H new ATOM 0 HG12 VAL A 75 70.127 2.392 -10.253 1.00 0.00 H new ATOM 0 HG13 VAL A 75 69.737 0.872 -11.092 1.00 0.00 H new ATOM 0 HG21 VAL A 75 67.527 0.030 -9.153 1.00 0.00 H new ATOM 0 HG22 VAL A 75 68.797 -1.077 -9.730 1.00 0.00 H new ATOM 0 HG23 VAL A 75 68.544 -0.845 -7.983 1.00 0.00 H new ATOM 1122 N TYR A 76 73.158 1.098 -9.060 1.00 0.00 N ATOM 1123 CA TYR A 76 74.237 2.068 -9.141 1.00 0.00 C ATOM 1124 C TYR A 76 74.153 2.768 -10.506 1.00 0.00 C ATOM 1125 O TYR A 76 74.586 3.914 -10.677 1.00 0.00 O ATOM 1126 CB TYR A 76 75.574 1.327 -8.972 1.00 0.00 C ATOM 1127 CG TYR A 76 76.819 2.183 -8.784 1.00 0.00 C ATOM 1128 CD1 TYR A 76 77.481 2.763 -9.857 1.00 0.00 C ATOM 1129 CD2 TYR A 76 77.332 2.397 -7.518 1.00 0.00 C ATOM 1130 CE1 TYR A 76 78.615 3.534 -9.666 1.00 0.00 C ATOM 1131 CE2 TYR A 76 78.459 3.164 -7.316 1.00 0.00 C ATOM 1132 CZ TYR A 76 79.095 3.732 -8.387 1.00 0.00 C ATOM 1133 OH TYR A 76 80.226 4.499 -8.185 1.00 0.00 O ATOM 0 H TYR A 76 73.429 0.152 -9.328 1.00 0.00 H new ATOM 0 HA TYR A 76 74.159 2.821 -8.357 1.00 0.00 H new ATOM 0 HB2 TYR A 76 75.487 0.662 -8.113 1.00 0.00 H new ATOM 0 HB3 TYR A 76 75.725 0.697 -9.848 1.00 0.00 H new ATOM 0 HD1 TYR A 76 77.105 2.610 -10.858 1.00 0.00 H new ATOM 0 HD2 TYR A 76 76.838 1.952 -6.667 1.00 0.00 H new ATOM 0 HE1 TYR A 76 79.120 3.977 -10.511 1.00 0.00 H new ATOM 0 HE2 TYR A 76 78.839 3.316 -6.317 1.00 0.00 H new ATOM 0 HH TYR A 76 80.428 4.539 -7.227 1.00 0.00 H new ATOM 1143 N HIS A 77 73.589 2.063 -11.472 1.00 0.00 N ATOM 1144 CA HIS A 77 73.365 2.617 -12.799 1.00 0.00 C ATOM 1145 C HIS A 77 72.003 3.272 -12.813 1.00 0.00 C ATOM 1146 O HIS A 77 70.982 2.585 -12.925 1.00 0.00 O ATOM 1147 CB HIS A 77 73.419 1.538 -13.898 1.00 0.00 C ATOM 1148 CG HIS A 77 74.720 0.811 -14.004 1.00 0.00 C ATOM 1149 ND1 HIS A 77 74.838 -0.561 -13.969 1.00 0.00 N ATOM 1150 CD2 HIS A 77 75.969 1.284 -14.172 1.00 0.00 C ATOM 1151 CE1 HIS A 77 76.116 -0.870 -14.106 1.00 0.00 C ATOM 1152 NE2 HIS A 77 76.853 0.213 -14.234 1.00 0.00 N ATOM 0 H HIS A 77 73.275 1.099 -11.362 1.00 0.00 H new ATOM 0 HA HIS A 77 74.156 3.336 -13.009 1.00 0.00 H new ATOM 0 HB2 HIS A 77 72.628 0.812 -13.712 1.00 0.00 H new ATOM 0 HB3 HIS A 77 73.202 2.007 -14.858 1.00 0.00 H new ATOM 0 HD2 HIS A 77 76.240 2.327 -14.247 1.00 0.00 H new ATOM 0 HE1 HIS A 77 76.504 -1.878 -14.112 1.00 0.00 H new ATOM 0 HE2 HIS A 77 77.865 0.257 -14.354 1.00 0.00 H new ATOM 1160 N GLN A 78 71.971 4.563 -12.651 1.00 0.00 N ATOM 1161 CA GLN A 78 70.718 5.268 -12.558 1.00 0.00 C ATOM 1162 C GLN A 78 70.606 6.361 -13.613 1.00 0.00 C ATOM 1163 O GLN A 78 71.493 7.223 -13.733 1.00 0.00 O ATOM 1164 CB GLN A 78 70.530 5.830 -11.136 1.00 0.00 C ATOM 1165 CG GLN A 78 69.228 6.606 -10.911 1.00 0.00 C ATOM 1166 CD GLN A 78 67.977 5.799 -11.227 1.00 0.00 C ATOM 1167 OE1 GLN A 78 67.946 4.573 -11.092 1.00 0.00 O ATOM 1168 NE2 GLN A 78 66.942 6.477 -11.652 1.00 0.00 N ATOM 0 H GLN A 78 72.799 5.154 -12.580 1.00 0.00 H new ATOM 0 HA GLN A 78 69.913 4.560 -12.756 1.00 0.00 H new ATOM 0 HB2 GLN A 78 70.569 5.003 -10.427 1.00 0.00 H new ATOM 0 HB3 GLN A 78 71.370 6.486 -10.907 1.00 0.00 H new ATOM 0 HG2 GLN A 78 69.186 6.935 -9.873 1.00 0.00 H new ATOM 0 HG3 GLN A 78 69.238 7.503 -11.530 1.00 0.00 H new ATOM 0 HE21 GLN A 78 67.002 7.490 -11.752 1.00 0.00 H new ATOM 0 HE22 GLN A 78 66.075 5.992 -11.883 1.00 0.00 H new ATOM 1177 N GLN A 79 69.531 6.275 -14.390 1.00 0.00 N ATOM 1178 CA GLN A 79 69.157 7.224 -15.429 1.00 0.00 C ATOM 1179 C GLN A 79 70.156 7.221 -16.574 1.00 0.00 C ATOM 1180 O GLN A 79 71.176 7.932 -16.553 1.00 0.00 O ATOM 1181 CB GLN A 79 68.903 8.624 -14.857 1.00 0.00 C ATOM 1182 CG GLN A 79 68.393 9.635 -15.862 1.00 0.00 C ATOM 1183 CD GLN A 79 68.051 10.952 -15.217 1.00 0.00 C ATOM 1184 OE1 GLN A 79 67.652 11.005 -14.051 1.00 0.00 O ATOM 1185 NE2 GLN A 79 68.185 12.012 -15.943 1.00 0.00 N ATOM 0 H GLN A 79 68.867 5.505 -14.307 1.00 0.00 H new ATOM 0 HA GLN A 79 68.207 6.895 -15.851 1.00 0.00 H new ATOM 0 HB2 GLN A 79 68.181 8.544 -14.044 1.00 0.00 H new ATOM 0 HB3 GLN A 79 69.831 8.999 -14.424 1.00 0.00 H new ATOM 0 HG2 GLN A 79 69.149 9.794 -16.631 1.00 0.00 H new ATOM 0 HG3 GLN A 79 67.510 9.236 -16.361 1.00 0.00 H new ATOM 0 HE21 GLN A 79 68.518 11.933 -16.904 1.00 0.00 H new ATOM 0 HE22 GLN A 79 67.958 12.928 -15.555 1.00 0.00 H new ATOM 1194 N GLU A 80 69.889 6.376 -17.541 1.00 0.00 N ATOM 1195 CA GLU A 80 70.756 6.211 -18.698 1.00 0.00 C ATOM 1196 C GLU A 80 70.020 5.607 -19.888 1.00 0.00 C ATOM 1197 O GLU A 80 70.440 5.781 -21.036 1.00 0.00 O ATOM 1198 CB GLU A 80 71.969 5.348 -18.347 1.00 0.00 C ATOM 1199 CG GLU A 80 71.627 4.018 -17.688 1.00 0.00 C ATOM 1200 CD GLU A 80 72.843 3.172 -17.484 1.00 0.00 C ATOM 1201 OE1 GLU A 80 73.714 3.543 -16.675 1.00 0.00 O ATOM 1202 OE2 GLU A 80 72.984 2.144 -18.183 1.00 0.00 O ATOM 0 H GLU A 80 69.063 5.778 -17.554 1.00 0.00 H new ATOM 0 HA GLU A 80 71.092 7.207 -18.985 1.00 0.00 H new ATOM 0 HB2 GLU A 80 72.536 5.153 -19.257 1.00 0.00 H new ATOM 0 HB3 GLU A 80 72.620 5.913 -17.680 1.00 0.00 H new ATOM 0 HG2 GLU A 80 71.146 4.201 -16.727 1.00 0.00 H new ATOM 0 HG3 GLU A 80 70.909 3.480 -18.306 1.00 0.00 H new ATOM 1209 N GLU A 81 68.918 4.919 -19.616 1.00 0.00 N ATOM 1210 CA GLU A 81 68.142 4.241 -20.653 1.00 0.00 C ATOM 1211 C GLU A 81 67.579 5.234 -21.649 1.00 0.00 C ATOM 1212 O GLU A 81 67.536 4.974 -22.865 1.00 0.00 O ATOM 1213 CB GLU A 81 67.024 3.415 -20.025 1.00 0.00 C ATOM 1214 CG GLU A 81 67.524 2.293 -19.125 1.00 0.00 C ATOM 1215 CD GLU A 81 68.296 1.246 -19.888 1.00 0.00 C ATOM 1216 OE1 GLU A 81 67.657 0.374 -20.511 1.00 0.00 O ATOM 1217 OE2 GLU A 81 69.547 1.271 -19.896 1.00 0.00 O ATOM 0 H GLU A 81 68.536 4.814 -18.676 1.00 0.00 H new ATOM 0 HA GLU A 81 68.810 3.569 -21.192 1.00 0.00 H new ATOM 0 HB2 GLU A 81 66.379 4.075 -19.444 1.00 0.00 H new ATOM 0 HB3 GLU A 81 66.411 2.987 -20.818 1.00 0.00 H new ATOM 0 HG2 GLU A 81 68.159 2.712 -18.345 1.00 0.00 H new ATOM 0 HG3 GLU A 81 66.675 1.824 -18.627 1.00 0.00 H new ATOM 1224 N GLN A 82 67.175 6.362 -21.155 1.00 0.00 N ATOM 1225 CA GLN A 82 66.669 7.408 -21.991 1.00 0.00 C ATOM 1226 C GLN A 82 67.470 8.660 -21.751 1.00 0.00 C ATOM 1227 O GLN A 82 68.380 8.678 -20.911 1.00 0.00 O ATOM 1228 CB GLN A 82 65.176 7.677 -21.749 1.00 0.00 C ATOM 1229 CG GLN A 82 64.274 6.478 -21.985 1.00 0.00 C ATOM 1230 CD GLN A 82 62.806 6.841 -22.004 1.00 0.00 C ATOM 1231 OE1 GLN A 82 62.373 7.796 -21.357 1.00 0.00 O ATOM 1232 NE2 GLN A 82 62.035 6.100 -22.744 1.00 0.00 N ATOM 0 H GLN A 82 67.186 6.585 -20.160 1.00 0.00 H new ATOM 0 HA GLN A 82 66.768 7.090 -23.029 1.00 0.00 H new ATOM 0 HB2 GLN A 82 65.043 8.019 -20.723 1.00 0.00 H new ATOM 0 HB3 GLN A 82 64.856 8.490 -22.400 1.00 0.00 H new ATOM 0 HG2 GLN A 82 64.540 6.011 -22.933 1.00 0.00 H new ATOM 0 HG3 GLN A 82 64.450 5.738 -21.204 1.00 0.00 H new ATOM 0 HE21 GLN A 82 62.428 5.317 -23.266 1.00 0.00 H new ATOM 0 HE22 GLN A 82 61.037 6.302 -22.802 1.00 0.00 H new ATOM 1241 N GLY A 83 67.157 9.677 -22.474 1.00 0.00 N ATOM 1242 CA GLY A 83 67.824 10.926 -22.326 1.00 0.00 C ATOM 1243 C GLY A 83 66.859 12.026 -22.531 1.00 0.00 C ATOM 1244 O GLY A 83 66.953 12.763 -23.529 1.00 0.00 O ATOM 0 H GLY A 83 66.429 9.668 -23.188 1.00 0.00 H new ATOM 0 HA2 GLY A 83 68.268 10.998 -21.333 1.00 0.00 H new ATOM 0 HA3 GLY A 83 68.638 11.003 -23.046 1.00 0.00 H new ATOM 1248 N GLU A 84 65.903 12.125 -21.597 1.00 0.00 N ATOM 1249 CA GLU A 84 64.818 13.102 -21.651 1.00 0.00 C ATOM 1250 C GLU A 84 63.983 12.837 -22.911 1.00 0.00 C ATOM 1251 O GLU A 84 63.872 11.674 -23.361 1.00 0.00 O ATOM 1252 CB GLU A 84 65.358 14.567 -21.634 1.00 0.00 C ATOM 1253 CG GLU A 84 66.022 15.039 -20.335 1.00 0.00 C ATOM 1254 CD GLU A 84 67.310 14.328 -19.983 1.00 0.00 C ATOM 1255 OE1 GLU A 84 68.366 14.655 -20.567 1.00 0.00 O ATOM 1256 OE2 GLU A 84 67.302 13.451 -19.083 1.00 0.00 O ATOM 0 H GLU A 84 65.865 11.521 -20.776 1.00 0.00 H new ATOM 0 HA GLU A 84 64.194 12.991 -20.764 1.00 0.00 H new ATOM 0 HB2 GLU A 84 66.080 14.673 -22.444 1.00 0.00 H new ATOM 0 HB3 GLU A 84 64.529 15.238 -21.856 1.00 0.00 H new ATOM 0 HG2 GLU A 84 66.224 16.107 -20.415 1.00 0.00 H new ATOM 0 HG3 GLU A 84 65.316 14.908 -19.515 1.00 0.00 H new ATOM 1263 N GLU A 85 63.369 13.873 -23.450 1.00 0.00 N ATOM 1264 CA GLU A 85 62.658 13.767 -24.702 1.00 0.00 C ATOM 1265 C GLU A 85 63.664 13.491 -25.811 1.00 0.00 C ATOM 1266 O GLU A 85 64.863 13.750 -25.664 1.00 0.00 O ATOM 1267 CB GLU A 85 61.878 15.048 -25.041 1.00 0.00 C ATOM 1268 CG GLU A 85 60.682 15.368 -24.155 1.00 0.00 C ATOM 1269 CD GLU A 85 61.042 15.603 -22.722 1.00 0.00 C ATOM 1270 OE1 GLU A 85 61.839 16.513 -22.450 1.00 0.00 O ATOM 1271 OE2 GLU A 85 60.514 14.904 -21.848 1.00 0.00 O ATOM 0 H GLU A 85 63.351 14.804 -23.033 1.00 0.00 H new ATOM 0 HA GLU A 85 61.936 12.956 -24.611 1.00 0.00 H new ATOM 0 HB2 GLU A 85 62.569 15.890 -24.999 1.00 0.00 H new ATOM 0 HB3 GLU A 85 61.530 14.973 -26.071 1.00 0.00 H new ATOM 0 HG2 GLU A 85 60.179 16.253 -24.544 1.00 0.00 H new ATOM 0 HG3 GLU A 85 59.969 14.546 -24.211 1.00 0.00 H new ATOM 1278 N THR A 86 63.208 12.968 -26.887 1.00 0.00 N ATOM 1279 CA THR A 86 64.064 12.622 -27.966 1.00 0.00 C ATOM 1280 C THR A 86 63.346 12.969 -29.257 1.00 0.00 C ATOM 1281 O THR A 86 62.263 12.436 -29.530 1.00 0.00 O ATOM 1282 CB THR A 86 64.408 11.119 -27.891 1.00 0.00 C ATOM 1283 OG1 THR A 86 64.927 10.846 -26.576 1.00 0.00 O ATOM 1284 CG2 THR A 86 65.463 10.744 -28.922 1.00 0.00 C ATOM 0 H THR A 86 62.222 12.765 -27.049 1.00 0.00 H new ATOM 0 HA THR A 86 65.003 13.174 -27.919 1.00 0.00 H new ATOM 0 HB THR A 86 63.509 10.537 -28.094 1.00 0.00 H new ATOM 0 HG1 THR A 86 65.152 9.895 -26.504 1.00 0.00 H new ATOM 0 HG21 THR A 86 65.685 9.680 -28.845 1.00 0.00 H new ATOM 0 HG22 THR A 86 65.090 10.966 -29.922 1.00 0.00 H new ATOM 0 HG23 THR A 86 66.371 11.318 -28.738 1.00 0.00 H new ATOM 1292 N PRO A 87 63.901 13.902 -30.044 1.00 0.00 N ATOM 1293 CA PRO A 87 63.246 14.400 -31.246 1.00 0.00 C ATOM 1294 C PRO A 87 63.140 13.347 -32.341 1.00 0.00 C ATOM 1295 O PRO A 87 63.740 12.268 -32.251 1.00 0.00 O ATOM 1296 CB PRO A 87 64.127 15.567 -31.677 1.00 0.00 C ATOM 1297 CG PRO A 87 65.474 15.231 -31.145 1.00 0.00 C ATOM 1298 CD PRO A 87 65.225 14.536 -29.836 1.00 0.00 C ATOM 0 HA PRO A 87 62.212 14.689 -31.055 1.00 0.00 H new ATOM 0 HB2 PRO A 87 64.143 15.673 -32.762 1.00 0.00 H new ATOM 0 HB3 PRO A 87 63.763 16.511 -31.270 1.00 0.00 H new ATOM 0 HG2 PRO A 87 66.019 14.586 -31.835 1.00 0.00 H new ATOM 0 HG3 PRO A 87 66.076 16.129 -31.005 1.00 0.00 H new ATOM 0 HD2 PRO A 87 65.997 13.798 -29.617 1.00 0.00 H new ATOM 0 HD3 PRO A 87 65.210 15.238 -29.002 1.00 0.00 H new ATOM 1306 N ARG A 88 62.416 13.674 -33.385 1.00 0.00 N ATOM 1307 CA ARG A 88 62.142 12.734 -34.462 1.00 0.00 C ATOM 1308 C ARG A 88 63.272 12.674 -35.484 1.00 0.00 C ATOM 1309 O ARG A 88 63.158 12.007 -36.512 1.00 0.00 O ATOM 1310 CB ARG A 88 60.796 13.055 -35.122 1.00 0.00 C ATOM 1311 CG ARG A 88 59.636 12.952 -34.146 1.00 0.00 C ATOM 1312 CD ARG A 88 58.294 13.282 -34.779 1.00 0.00 C ATOM 1313 NE ARG A 88 57.221 13.190 -33.779 1.00 0.00 N ATOM 1314 CZ ARG A 88 55.968 13.628 -33.918 1.00 0.00 C ATOM 1315 NH1 ARG A 88 55.549 14.108 -35.080 1.00 0.00 N ATOM 1316 NH2 ARG A 88 55.128 13.545 -32.893 1.00 0.00 N ATOM 0 H ARG A 88 61.998 14.595 -33.518 1.00 0.00 H new ATOM 0 HA ARG A 88 62.079 11.739 -34.022 1.00 0.00 H new ATOM 0 HB2 ARG A 88 60.829 14.062 -35.539 1.00 0.00 H new ATOM 0 HB3 ARG A 88 60.630 12.371 -35.954 1.00 0.00 H new ATOM 0 HG2 ARG A 88 59.600 11.942 -33.738 1.00 0.00 H new ATOM 0 HG3 ARG A 88 59.812 13.627 -33.309 1.00 0.00 H new ATOM 0 HD2 ARG A 88 58.321 14.286 -35.202 1.00 0.00 H new ATOM 0 HD3 ARG A 88 58.094 12.595 -35.601 1.00 0.00 H new ATOM 0 HE ARG A 88 57.457 12.748 -32.891 1.00 0.00 H new ATOM 0 HH11 ARG A 88 56.186 14.145 -35.876 1.00 0.00 H new ATOM 0 HH12 ARG A 88 54.590 14.441 -35.178 1.00 0.00 H new ATOM 0 HH21 ARG A 88 55.442 13.149 -32.007 1.00 0.00 H new ATOM 0 HH22 ARG A 88 54.169 13.878 -32.991 1.00 0.00 H new ATOM 1330 N SER A 89 64.358 13.336 -35.191 1.00 0.00 N ATOM 1331 CA SER A 89 65.512 13.321 -36.033 1.00 0.00 C ATOM 1332 C SER A 89 66.745 13.230 -35.133 1.00 0.00 C ATOM 1333 O SER A 89 66.927 14.061 -34.227 1.00 0.00 O ATOM 1334 CB SER A 89 65.536 14.589 -36.911 1.00 0.00 C ATOM 1335 OG SER A 89 66.528 14.517 -37.926 1.00 0.00 O ATOM 0 H SER A 89 64.463 13.905 -34.351 1.00 0.00 H new ATOM 0 HA SER A 89 65.496 12.465 -36.707 1.00 0.00 H new ATOM 0 HB2 SER A 89 64.558 14.730 -37.370 1.00 0.00 H new ATOM 0 HB3 SER A 89 65.722 15.461 -36.284 1.00 0.00 H new ATOM 0 HG SER A 89 66.509 15.338 -38.460 1.00 0.00 H new ATOM 1341 N HIS A 90 67.545 12.201 -35.333 1.00 0.00 N ATOM 1342 CA HIS A 90 68.747 11.985 -34.529 1.00 0.00 C ATOM 1343 C HIS A 90 69.911 12.811 -35.067 1.00 0.00 C ATOM 1344 O HIS A 90 70.832 13.168 -34.319 1.00 0.00 O ATOM 1345 CB HIS A 90 69.107 10.480 -34.430 1.00 0.00 C ATOM 1346 CG HIS A 90 69.349 9.799 -35.748 1.00 0.00 C ATOM 1347 ND1 HIS A 90 70.591 9.612 -36.295 1.00 0.00 N ATOM 1348 CD2 HIS A 90 68.472 9.267 -36.628 1.00 0.00 C ATOM 1349 CE1 HIS A 90 70.439 8.999 -37.462 1.00 0.00 C ATOM 1350 NE2 HIS A 90 69.169 8.763 -37.717 1.00 0.00 N ATOM 0 H HIS A 90 67.388 11.492 -36.050 1.00 0.00 H new ATOM 0 HA HIS A 90 68.538 12.325 -33.515 1.00 0.00 H new ATOM 0 HB2 HIS A 90 70.000 10.375 -33.814 1.00 0.00 H new ATOM 0 HB3 HIS A 90 68.300 9.962 -33.913 1.00 0.00 H new ATOM 0 HD2 HIS A 90 67.400 9.239 -36.504 1.00 0.00 H new ATOM 0 HE1 HIS A 90 71.253 8.728 -38.119 1.00 0.00 H new ATOM 0 HE2 HIS A 90 68.779 8.306 -38.541 1.00 0.00 H new ATOM 1358 N HIS A 91 69.829 13.125 -36.359 1.00 0.00 N ATOM 1359 CA HIS A 91 70.773 13.985 -37.086 1.00 0.00 C ATOM 1360 C HIS A 91 72.125 13.361 -37.394 1.00 0.00 C ATOM 1361 O HIS A 91 72.905 13.027 -36.498 1.00 0.00 O ATOM 1362 CB HIS A 91 70.965 15.382 -36.448 1.00 0.00 C ATOM 1363 CG HIS A 91 69.813 16.321 -36.628 1.00 0.00 C ATOM 1364 ND1 HIS A 91 69.837 17.398 -37.485 1.00 0.00 N ATOM 1365 CD2 HIS A 91 68.597 16.346 -36.032 1.00 0.00 C ATOM 1366 CE1 HIS A 91 68.665 18.032 -37.390 1.00 0.00 C ATOM 1367 NE2 HIS A 91 67.869 17.431 -36.517 1.00 0.00 N ATOM 0 H HIS A 91 69.077 12.777 -36.954 1.00 0.00 H new ATOM 0 HA HIS A 91 70.269 14.112 -38.044 1.00 0.00 H new ATOM 0 HB2 HIS A 91 71.149 15.256 -35.381 1.00 0.00 H new ATOM 0 HB3 HIS A 91 71.858 15.840 -36.873 1.00 0.00 H new ATOM 0 HD1 HIS A 91 70.615 17.666 -38.088 1.00 0.00 H new ATOM 0 HD2 HIS A 91 68.247 15.637 -35.297 1.00 0.00 H new ATOM 0 HE1 HIS A 91 68.401 18.917 -37.950 1.00 0.00 H new ATOM 1375 N HIS A 92 72.382 13.190 -38.675 1.00 0.00 N ATOM 1376 CA HIS A 92 73.709 12.827 -39.156 1.00 0.00 C ATOM 1377 C HIS A 92 74.420 14.127 -39.477 1.00 0.00 C ATOM 1378 O HIS A 92 75.639 14.234 -39.426 1.00 0.00 O ATOM 1379 CB HIS A 92 73.658 11.964 -40.434 1.00 0.00 C ATOM 1380 CG HIS A 92 73.065 10.598 -40.278 1.00 0.00 C ATOM 1381 ND1 HIS A 92 71.992 10.146 -41.010 1.00 0.00 N ATOM 1382 CD2 HIS A 92 73.458 9.556 -39.504 1.00 0.00 C ATOM 1383 CE1 HIS A 92 71.763 8.874 -40.671 1.00 0.00 C ATOM 1384 NE2 HIS A 92 72.630 8.463 -39.756 1.00 0.00 N ATOM 0 H HIS A 92 71.685 13.297 -39.412 1.00 0.00 H new ATOM 0 HA HIS A 92 74.219 12.239 -38.393 1.00 0.00 H new ATOM 0 HB2 HIS A 92 73.087 12.503 -41.190 1.00 0.00 H new ATOM 0 HB3 HIS A 92 74.673 11.857 -40.817 1.00 0.00 H new ATOM 0 HD2 HIS A 92 74.281 9.571 -38.804 1.00 0.00 H new ATOM 0 HE1 HIS A 92 70.976 8.262 -41.087 1.00 0.00 H new ATOM 0 HE2 HIS A 92 72.681 7.539 -39.326 1.00 0.00 H new ATOM 1392 N HIS A 93 73.618 15.122 -39.807 1.00 0.00 N ATOM 1393 CA HIS A 93 74.093 16.441 -40.134 1.00 0.00 C ATOM 1394 C HIS A 93 73.684 17.415 -39.038 1.00 0.00 C ATOM 1395 O HIS A 93 72.493 17.782 -38.908 1.00 0.00 O ATOM 1396 CB HIS A 93 73.556 16.915 -41.503 1.00 0.00 C ATOM 1397 CG HIS A 93 74.050 16.130 -42.691 1.00 0.00 C ATOM 1398 ND1 HIS A 93 75.010 16.583 -43.575 1.00 0.00 N ATOM 1399 CD2 HIS A 93 73.669 14.917 -43.152 1.00 0.00 C ATOM 1400 CE1 HIS A 93 75.175 15.661 -44.519 1.00 0.00 C ATOM 1401 NE2 HIS A 93 74.379 14.620 -44.310 1.00 0.00 N ATOM 0 H HIS A 93 72.603 15.029 -39.854 1.00 0.00 H new ATOM 0 HA HIS A 93 75.180 16.406 -40.204 1.00 0.00 H new ATOM 0 HB2 HIS A 93 72.467 16.869 -41.484 1.00 0.00 H new ATOM 0 HB3 HIS A 93 73.828 17.961 -41.640 1.00 0.00 H new ATOM 0 HD2 HIS A 93 72.929 14.279 -42.692 1.00 0.00 H new ATOM 0 HE1 HIS A 93 75.865 15.748 -45.345 1.00 0.00 H new ATOM 0 HE2 HIS A 93 74.304 13.778 -44.880 1.00 0.00 H new ATOM 1409 N HIS A 94 74.650 17.804 -38.239 1.00 0.00 N ATOM 1410 CA HIS A 94 74.424 18.740 -37.137 1.00 0.00 C ATOM 1411 C HIS A 94 74.425 20.169 -37.657 1.00 0.00 C ATOM 1412 O HIS A 94 73.944 21.104 -37.004 1.00 0.00 O ATOM 1413 CB HIS A 94 75.483 18.551 -36.033 1.00 0.00 C ATOM 1414 CG HIS A 94 75.473 17.173 -35.419 1.00 0.00 C ATOM 1415 ND1 HIS A 94 76.516 16.270 -35.515 1.00 0.00 N ATOM 1416 CD2 HIS A 94 74.508 16.547 -34.700 1.00 0.00 C ATOM 1417 CE1 HIS A 94 76.161 15.156 -34.883 1.00 0.00 C ATOM 1418 NE2 HIS A 94 74.946 15.268 -34.361 1.00 0.00 N ATOM 0 H HIS A 94 75.616 17.488 -38.325 1.00 0.00 H new ATOM 0 HA HIS A 94 73.448 18.534 -36.698 1.00 0.00 H new ATOM 0 HB2 HIS A 94 76.471 18.747 -36.451 1.00 0.00 H new ATOM 0 HB3 HIS A 94 75.316 19.290 -35.250 1.00 0.00 H new ATOM 0 HD2 HIS A 94 73.552 16.972 -34.433 1.00 0.00 H new ATOM 0 HE1 HIS A 94 76.780 14.275 -34.804 1.00 0.00 H new ATOM 0 HE2 HIS A 94 74.439 14.565 -33.824 1.00 0.00 H new ATOM 1426 N HIS A 95 74.955 20.332 -38.828 1.00 0.00 N ATOM 1427 CA HIS A 95 74.962 21.599 -39.494 1.00 0.00 C ATOM 1428 C HIS A 95 74.211 21.399 -40.795 1.00 0.00 C ATOM 1429 O HIS A 95 72.967 21.493 -40.799 1.00 0.00 O ATOM 1430 CB HIS A 95 76.404 22.074 -39.776 1.00 0.00 C ATOM 1431 CG HIS A 95 77.295 22.133 -38.565 1.00 0.00 C ATOM 1432 ND1 HIS A 95 78.331 21.255 -38.342 1.00 0.00 N ATOM 1433 CD2 HIS A 95 77.292 22.983 -37.506 1.00 0.00 C ATOM 1434 CE1 HIS A 95 78.915 21.576 -37.192 1.00 0.00 C ATOM 1435 NE2 HIS A 95 78.326 22.624 -36.633 1.00 0.00 N ATOM 1436 OXT HIS A 95 74.851 21.035 -41.802 1.00 0.00 O ATOM 0 H HIS A 95 75.400 19.581 -39.356 1.00 0.00 H new ATOM 0 HA HIS A 95 74.495 22.364 -38.873 1.00 0.00 H new ATOM 0 HB2 HIS A 95 76.855 21.406 -40.510 1.00 0.00 H new ATOM 0 HB3 HIS A 95 76.364 23.065 -40.229 1.00 0.00 H new ATOM 0 HD2 HIS A 95 76.604 23.803 -37.361 1.00 0.00 H new ATOM 0 HE1 HIS A 95 79.759 21.052 -36.768 1.00 0.00 H new ATOM 0 HE2 HIS A 95 78.574 23.074 -35.752 1.00 0.00 H new TER 1444 HIS A 95