USER MOD reduce.3.24.130724 H: found=0, std=0, add=874, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 871 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 125 LYS NZ :NH3+ -142:sc= 1.32 (180deg=0.737) USER MOD Set 1.2: A 127 THR OG1 : rot 180:sc= 0.0206 USER MOD Set 2.1: A 12 SER OG : rot -170:sc= 0 USER MOD Set 2.2: A 38 HIS : no HE2:sc= -1.32 K(o=-7.1,f=-13!) USER MOD Set 2.3: A 49 HIS : no HD1:sc= -0.137 K(o=-7.1,f=-9.8!) USER MOD Set 2.4: A 113 CYS SG : rot -141:sc= -0.601! USER MOD Set 2.5: A 118 HIS : no HD1:sc= -0.896 K(o=-7.1,f=-8.5) USER MOD Set 2.6: A 122 MET CE :methyl -168:sc= -4.1 (180deg=-3.15) USER MOD Set 3.1: A 50 ASN : amide:sc= 1.21 K(o=4.1,f=1.8) USER MOD Set 3.2: A 86 THR OG1 : rot 13:sc= 2.1 USER MOD Set 3.3: A 114 THR OG1 : rot 148:sc= 0.77 USER MOD Set 4.1: A 33 THR OG1 : rot 180:sc= 0 USER MOD Set 4.2: A 98 THR OG1 : rot 180:sc= 0 USER MOD Set 5.1: A 87 LYS NZ :NH3+ -163:sc= -0.0306 (180deg=-0.367) USER MOD Set 5.2: A 95 SER OG : rot 120:sc= 0.433 USER MOD Set 6.1: A 35 THR OG1 : rot 180:sc= 0.197 USER MOD Set 6.2: A 96 SER OG : rot -112:sc= 0.164 USER MOD Set 7.1: A 16 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 7.2: A 47 MET CE :methyl -136:sc= -0.155 (180deg=-0.302) USER MOD Set 8.1: A 6 CYS SG : rot -32:sc= -1.39! USER MOD Set 8.2: A 26 SER OG : rot 180:sc= -0.117 USER MOD Set 8.3: A 29 CYS SG : rot -115:sc= -2.26! USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= -0.466 K(o=-0.47,f=-11!) USER MOD Single : A 15 ASN : amide:sc= -1.95! K(o=-1.9!,f=-0.004) USER MOD Single : A 17 GLN : amide:sc= -0.127 X(o=-0.13,f=0) USER MOD Single : A 19 ASN : amide:sc= -0.977 K(o=-0.98,f=-2.2) USER MOD Single : A 20 THR OG1 : rot -138:sc= 0.798 USER MOD Single : A 21 LYS NZ :NH3+ -177:sc= 1.25 (180deg=1.16) USER MOD Single : A 24 GLN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 167:sc= -0.0518 (180deg=-0.271) USER MOD Single : A 37 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0496) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0.0354 USER MOD Single : A 41 THR OG1 : rot -40:sc= 0.791 USER MOD Single : A 42 GLN : amide:sc= -0.336 K(o=-0.34,f=-0.91) USER MOD Single : A 44 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0325) USER MOD Single : A 46 SER OG : rot 180:sc= -0.213 USER MOD Single : A 55 LYS NZ :NH3+ 175:sc= -1.51 (180deg=-1.6) USER MOD Single : A 59 MET CE :methyl -142:sc= 0 (180deg=-0.455) USER MOD Single : A 64 LYS NZ :NH3+ 150:sc= 1.23 (180deg=-0.614) USER MOD Single : A 72 THR OG1 : rot -59:sc= 0.621 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 HIS : no HD1:sc= 0 X(o=0,f=-0.055) USER MOD Single : A 103 LYS NZ :NH3+ 162:sc= -0.0466 (180deg=-0.336) USER MOD Single : A 109 TYR OH : rot 51:sc= 0.742 USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 ASN : amide:sc= 1.16 K(o=1.2,f=-0.11) USER MOD ----------------------------------------------------------------- ATOM 58 N CYS A 6 12.746 9.485 4.254 1.00 0.62 N ATOM 59 CA CYS A 6 12.542 8.424 5.231 1.00 0.41 C ATOM 60 C CYS A 6 11.056 8.136 5.410 1.00 0.34 C ATOM 61 O CYS A 6 10.668 7.099 5.953 1.00 0.34 O ATOM 62 CB CYS A 6 13.160 8.814 6.575 1.00 0.49 C ATOM 63 SG CYS A 6 14.942 9.193 6.494 1.00 0.59 S ATOM 0 HA CYS A 6 13.031 7.523 4.862 1.00 0.41 H new ATOM 0 HB2 CYS A 6 12.632 9.684 6.967 1.00 0.49 H new ATOM 0 HB3 CYS A 6 13.004 8.001 7.284 1.00 0.49 H new ATOM 0 HG CYS A 6 15.499 8.464 5.573 1.00 0.59 H new ATOM 68 N ALA A 7 10.226 9.059 4.949 1.00 0.32 N ATOM 69 CA ALA A 7 8.787 8.916 5.055 1.00 0.27 C ATOM 70 C ALA A 7 8.103 9.535 3.847 1.00 0.25 C ATOM 71 O ALA A 7 8.574 10.533 3.299 1.00 0.31 O ATOM 72 CB ALA A 7 8.280 9.556 6.339 1.00 0.31 C ATOM 0 H ALA A 7 10.530 9.920 4.495 1.00 0.32 H new ATOM 0 HA ALA A 7 8.547 7.853 5.083 1.00 0.27 H new ATOM 0 HB1 ALA A 7 7.198 9.439 6.401 1.00 0.31 H new ATOM 0 HB2 ALA A 7 8.747 9.071 7.196 1.00 0.31 H new ATOM 0 HB3 ALA A 7 8.531 10.617 6.340 1.00 0.31 H new ATOM 78 N ALA A 8 6.999 8.940 3.433 1.00 0.22 N ATOM 79 CA ALA A 8 6.263 9.424 2.280 1.00 0.22 C ATOM 80 C ALA A 8 4.783 9.566 2.603 1.00 0.19 C ATOM 81 O ALA A 8 4.206 8.732 3.304 1.00 0.20 O ATOM 82 CB ALA A 8 6.461 8.496 1.091 1.00 0.27 C ATOM 0 H ALA A 8 6.592 8.118 3.880 1.00 0.22 H new ATOM 0 HA ALA A 8 6.651 10.409 2.019 1.00 0.22 H new ATOM 0 HB1 ALA A 8 5.901 8.876 0.236 1.00 0.27 H new ATOM 0 HB2 ALA A 8 7.520 8.448 0.839 1.00 0.27 H new ATOM 0 HB3 ALA A 8 6.103 7.498 1.345 1.00 0.27 H new ATOM 88 N THR A 9 4.177 10.630 2.107 1.00 0.23 N ATOM 89 CA THR A 9 2.759 10.861 2.308 1.00 0.23 C ATOM 90 C THR A 9 1.992 10.563 1.025 1.00 0.23 C ATOM 91 O THR A 9 2.278 11.132 -0.030 1.00 0.29 O ATOM 92 CB THR A 9 2.486 12.314 2.737 1.00 0.29 C ATOM 93 OG1 THR A 9 3.345 12.674 3.829 1.00 0.84 O ATOM 94 CG2 THR A 9 1.034 12.494 3.157 1.00 0.70 C ATOM 0 H THR A 9 4.648 11.350 1.560 1.00 0.23 H new ATOM 0 HA THR A 9 2.423 10.194 3.102 1.00 0.23 H new ATOM 0 HB THR A 9 2.687 12.961 1.883 1.00 0.29 H new ATOM 0 HG1 THR A 9 3.166 13.600 4.094 1.00 0.84 H new ATOM 0 HG21 THR A 9 0.867 13.529 3.455 1.00 0.70 H new ATOM 0 HG22 THR A 9 0.380 12.248 2.320 1.00 0.70 H new ATOM 0 HG23 THR A 9 0.814 11.834 3.996 1.00 0.70 H new ATOM 102 N VAL A 10 1.034 9.658 1.114 1.00 0.21 N ATOM 103 CA VAL A 10 0.215 9.300 -0.027 1.00 0.22 C ATOM 104 C VAL A 10 -1.249 9.542 0.296 1.00 0.22 C ATOM 105 O VAL A 10 -1.741 9.127 1.342 1.00 0.26 O ATOM 106 CB VAL A 10 0.404 7.822 -0.431 1.00 0.29 C ATOM 107 CG1 VAL A 10 -0.458 7.479 -1.639 1.00 0.62 C ATOM 108 CG2 VAL A 10 1.867 7.519 -0.720 1.00 0.87 C ATOM 0 H VAL A 10 0.804 9.155 1.971 1.00 0.21 H new ATOM 0 HA VAL A 10 0.528 9.924 -0.864 1.00 0.22 H new ATOM 0 HB VAL A 10 0.087 7.202 0.408 1.00 0.29 H new ATOM 0 HG11 VAL A 10 -0.309 6.433 -1.907 1.00 0.62 H new ATOM 0 HG12 VAL A 10 -1.507 7.646 -1.396 1.00 0.62 H new ATOM 0 HG13 VAL A 10 -0.175 8.112 -2.480 1.00 0.62 H new ATOM 0 HG21 VAL A 10 1.973 6.471 -1.002 1.00 0.87 H new ATOM 0 HG22 VAL A 10 2.215 8.152 -1.536 1.00 0.87 H new ATOM 0 HG23 VAL A 10 2.462 7.716 0.171 1.00 0.87 H new ATOM 118 N GLU A 11 -1.937 10.228 -0.592 1.00 0.23 N ATOM 119 CA GLU A 11 -3.351 10.475 -0.411 1.00 0.25 C ATOM 120 C GLU A 11 -4.141 9.710 -1.460 1.00 0.23 C ATOM 121 O GLU A 11 -3.694 9.558 -2.600 1.00 0.29 O ATOM 122 CB GLU A 11 -3.656 11.974 -0.495 1.00 0.29 C ATOM 123 CG GLU A 11 -2.852 12.813 0.490 1.00 1.09 C ATOM 124 CD GLU A 11 -3.160 14.293 0.396 1.00 1.31 C ATOM 125 OE1 GLU A 11 -2.684 14.943 -0.561 1.00 1.98 O ATOM 126 OE2 GLU A 11 -3.893 14.811 1.268 1.00 1.14 O1- ATOM 0 H GLU A 11 -1.541 10.624 -1.445 1.00 0.23 H new ATOM 0 HA GLU A 11 -3.645 10.128 0.580 1.00 0.25 H new ATOM 0 HB2 GLU A 11 -3.452 12.322 -1.508 1.00 0.29 H new ATOM 0 HB3 GLU A 11 -4.719 12.131 -0.312 1.00 0.29 H new ATOM 0 HG2 GLU A 11 -3.057 12.469 1.504 1.00 1.09 H new ATOM 0 HG3 GLU A 11 -1.789 12.657 0.309 1.00 1.09 H new ATOM 133 N SER A 12 -5.286 9.194 -1.058 1.00 0.22 N ATOM 134 CA SER A 12 -6.185 8.523 -1.976 1.00 0.21 C ATOM 135 C SER A 12 -7.544 9.212 -1.938 1.00 0.20 C ATOM 136 O SER A 12 -8.081 9.483 -0.865 1.00 0.23 O ATOM 137 CB SER A 12 -6.299 7.044 -1.595 1.00 0.29 C ATOM 138 OG SER A 12 -6.523 6.891 -0.199 1.00 0.97 O ATOM 0 H SER A 12 -5.617 9.227 -0.094 1.00 0.22 H new ATOM 0 HA SER A 12 -5.797 8.580 -2.993 1.00 0.21 H new ATOM 0 HB2 SER A 12 -7.117 6.584 -2.150 1.00 0.29 H new ATOM 0 HB3 SER A 12 -5.386 6.520 -1.880 1.00 0.29 H new ATOM 0 HG SER A 12 -6.435 5.946 0.045 1.00 0.97 H new ATOM 144 N ASN A 13 -8.118 9.467 -3.098 1.00 0.19 N ATOM 145 CA ASN A 13 -9.298 10.320 -3.180 1.00 0.24 C ATOM 146 C ASN A 13 -10.527 9.544 -3.630 1.00 0.24 C ATOM 147 O ASN A 13 -10.508 8.314 -3.717 1.00 0.19 O ATOM 148 CB ASN A 13 -9.034 11.494 -4.133 1.00 0.32 C ATOM 149 CG ASN A 13 -8.569 11.047 -5.511 1.00 0.34 C ATOM 150 OD1 ASN A 13 -8.914 9.964 -5.982 1.00 0.89 O ATOM 151 ND2 ASN A 13 -7.793 11.886 -6.172 1.00 1.14 N ATOM 0 H ASN A 13 -7.793 9.101 -3.993 1.00 0.19 H new ATOM 0 HA ASN A 13 -9.500 10.704 -2.180 1.00 0.24 H new ATOM 0 HB2 ASN A 13 -9.945 12.083 -4.236 1.00 0.32 H new ATOM 0 HB3 ASN A 13 -8.280 12.148 -3.695 1.00 0.32 H new ATOM 0 HD21 ASN A 13 -7.459 11.645 -7.105 1.00 1.14 H new ATOM 0 HD22 ASN A 13 -7.527 12.776 -5.750 1.00 1.14 H new ATOM 158 N ASP A 14 -11.597 10.277 -3.921 1.00 0.43 N ATOM 159 CA ASP A 14 -12.856 9.682 -4.353 1.00 0.51 C ATOM 160 C ASP A 14 -12.848 9.406 -5.853 1.00 0.43 C ATOM 161 O ASP A 14 -13.856 8.998 -6.423 1.00 0.48 O ATOM 162 CB ASP A 14 -14.025 10.606 -4.005 1.00 0.81 C ATOM 163 CG ASP A 14 -13.953 11.929 -4.738 1.00 1.53 C ATOM 164 OD1 ASP A 14 -13.168 12.807 -4.324 1.00 2.26 O1- ATOM 165 OD2 ASP A 14 -14.682 12.099 -5.734 1.00 1.86 O ATOM 0 H ASP A 14 -11.616 11.295 -3.864 1.00 0.43 H new ATOM 0 HA ASP A 14 -12.976 8.734 -3.829 1.00 0.51 H new ATOM 0 HB2 ASP A 14 -14.963 10.108 -4.250 1.00 0.81 H new ATOM 0 HB3 ASP A 14 -14.033 10.789 -2.930 1.00 0.81 H new ATOM 170 N ASN A 15 -11.706 9.628 -6.490 1.00 0.45 N ATOM 171 CA ASN A 15 -11.563 9.372 -7.920 1.00 0.48 C ATOM 172 C ASN A 15 -10.940 8.001 -8.141 1.00 0.41 C ATOM 173 O ASN A 15 -10.591 7.633 -9.262 1.00 0.47 O ATOM 174 CB ASN A 15 -10.699 10.443 -8.604 1.00 0.60 C ATOM 175 CG ASN A 15 -11.395 11.786 -8.777 1.00 0.93 C ATOM 176 OD1 ASN A 15 -11.105 12.521 -9.722 1.00 1.59 O ATOM 177 ND2 ASN A 15 -12.313 12.119 -7.882 1.00 1.58 N ATOM 0 H ASN A 15 -10.863 9.985 -6.040 1.00 0.45 H new ATOM 0 HA ASN A 15 -12.558 9.404 -8.363 1.00 0.48 H new ATOM 0 HB2 ASN A 15 -9.791 10.589 -8.020 1.00 0.60 H new ATOM 0 HB3 ASN A 15 -10.392 10.076 -9.583 1.00 0.60 H new ATOM 0 HD21 ASN A 15 -12.805 13.009 -7.963 1.00 1.58 H new ATOM 0 HD22 ASN A 15 -12.528 11.486 -7.112 1.00 1.58 H new ATOM 184 N MET A 16 -10.792 7.266 -7.035 1.00 0.36 N ATOM 185 CA MET A 16 -10.250 5.909 -7.046 1.00 0.39 C ATOM 186 C MET A 16 -8.840 5.884 -7.624 1.00 0.38 C ATOM 187 O MET A 16 -8.542 5.124 -8.547 1.00 0.54 O ATOM 188 CB MET A 16 -11.175 4.964 -7.824 1.00 0.50 C ATOM 189 CG MET A 16 -12.533 4.775 -7.170 1.00 0.58 C ATOM 190 SD MET A 16 -13.600 3.644 -8.083 1.00 1.03 S ATOM 191 CE MET A 16 -15.068 3.676 -7.056 1.00 1.92 C ATOM 0 H MET A 16 -11.046 7.599 -6.105 1.00 0.36 H new ATOM 0 HA MET A 16 -10.193 5.561 -6.015 1.00 0.39 H new ATOM 0 HB2 MET A 16 -11.317 5.354 -8.832 1.00 0.50 H new ATOM 0 HB3 MET A 16 -10.690 3.993 -7.924 1.00 0.50 H new ATOM 0 HG2 MET A 16 -12.393 4.397 -6.157 1.00 0.58 H new ATOM 0 HG3 MET A 16 -13.027 5.743 -7.084 1.00 0.58 H new ATOM 0 HE1 MET A 16 -15.828 3.023 -7.487 1.00 1.92 H new ATOM 0 HE2 MET A 16 -14.818 3.330 -6.053 1.00 1.92 H new ATOM 0 HE3 MET A 16 -15.453 4.694 -7.003 1.00 1.92 H new ATOM 201 N GLN A 17 -7.974 6.721 -7.069 1.00 0.28 N ATOM 202 CA GLN A 17 -6.591 6.797 -7.509 1.00 0.33 C ATOM 203 C GLN A 17 -5.703 7.333 -6.395 1.00 0.28 C ATOM 204 O GLN A 17 -6.173 8.034 -5.495 1.00 0.40 O ATOM 205 CB GLN A 17 -6.480 7.692 -8.748 1.00 0.44 C ATOM 206 CG GLN A 17 -7.049 9.084 -8.552 1.00 0.77 C ATOM 207 CD GLN A 17 -6.946 9.929 -9.803 1.00 1.21 C ATOM 208 OE1 GLN A 17 -5.965 10.647 -10.005 1.00 1.78 O ATOM 209 NE2 GLN A 17 -7.948 9.839 -10.661 1.00 1.86 N ATOM 0 H GLN A 17 -8.209 7.360 -6.309 1.00 0.28 H new ATOM 0 HA GLN A 17 -6.255 5.792 -7.766 1.00 0.33 H new ATOM 0 HB2 GLN A 17 -5.431 7.775 -9.031 1.00 0.44 H new ATOM 0 HB3 GLN A 17 -6.997 7.212 -9.579 1.00 0.44 H new ATOM 0 HG2 GLN A 17 -8.094 9.008 -8.253 1.00 0.77 H new ATOM 0 HG3 GLN A 17 -6.520 9.579 -7.738 1.00 0.77 H new ATOM 0 HE21 GLN A 17 -8.742 9.233 -10.456 1.00 1.86 H new ATOM 0 HE22 GLN A 17 -7.927 10.376 -11.528 1.00 1.86 H new ATOM 218 N PHE A 18 -4.428 6.975 -6.451 1.00 0.30 N ATOM 219 CA PHE A 18 -3.441 7.493 -5.517 1.00 0.27 C ATOM 220 C PHE A 18 -2.791 8.744 -6.092 1.00 0.33 C ATOM 221 O PHE A 18 -2.777 8.945 -7.308 1.00 0.44 O ATOM 222 CB PHE A 18 -2.350 6.451 -5.231 1.00 0.29 C ATOM 223 CG PHE A 18 -2.823 5.222 -4.505 1.00 0.25 C ATOM 224 CD1 PHE A 18 -3.414 5.322 -3.254 1.00 0.24 C ATOM 225 CD2 PHE A 18 -2.704 3.968 -5.085 1.00 0.27 C ATOM 226 CE1 PHE A 18 -3.869 4.197 -2.594 1.00 0.25 C ATOM 227 CE2 PHE A 18 -3.160 2.840 -4.430 1.00 0.26 C ATOM 228 CZ PHE A 18 -3.651 2.942 -3.145 1.00 0.28 C ATOM 0 H PHE A 18 -4.052 6.323 -7.139 1.00 0.30 H new ATOM 0 HA PHE A 18 -3.954 7.731 -4.585 1.00 0.27 H new ATOM 0 HB2 PHE A 18 -1.902 6.147 -6.177 1.00 0.29 H new ATOM 0 HB3 PHE A 18 -1.563 6.923 -4.643 1.00 0.29 H new ATOM 0 HD1 PHE A 18 -3.520 6.292 -2.790 1.00 0.24 H new ATOM 0 HD2 PHE A 18 -2.250 3.872 -6.060 1.00 0.27 H new ATOM 0 HE1 PHE A 18 -4.392 4.294 -1.654 1.00 0.25 H new ATOM 0 HE2 PHE A 18 -3.132 1.880 -4.924 1.00 0.26 H new ATOM 0 HZ PHE A 18 -3.864 2.052 -2.572 1.00 0.28 H new ATOM 238 N ASN A 19 -2.257 9.580 -5.206 1.00 0.35 N ATOM 239 CA ASN A 19 -1.523 10.783 -5.609 1.00 0.49 C ATOM 240 C ASN A 19 -0.287 10.446 -6.433 1.00 0.36 C ATOM 241 O ASN A 19 0.223 11.289 -7.171 1.00 0.45 O ATOM 242 CB ASN A 19 -1.088 11.593 -4.382 1.00 0.71 C ATOM 243 CG ASN A 19 -2.208 12.418 -3.776 1.00 1.33 C ATOM 244 OD1 ASN A 19 -3.389 12.098 -3.914 1.00 2.31 O ATOM 245 ND2 ASN A 19 -1.841 13.487 -3.088 1.00 1.42 N ATOM 0 H ASN A 19 -2.318 9.448 -4.196 1.00 0.35 H new ATOM 0 HA ASN A 19 -2.205 11.372 -6.222 1.00 0.49 H new ATOM 0 HB2 ASN A 19 -0.699 10.912 -3.626 1.00 0.71 H new ATOM 0 HB3 ASN A 19 -0.270 12.256 -4.665 1.00 0.71 H new ATOM 0 HD21 ASN A 19 -2.547 14.078 -2.650 1.00 1.42 H new ATOM 0 HD22 ASN A 19 -0.852 13.720 -2.996 1.00 1.42 H new ATOM 252 N THR A 20 0.199 9.220 -6.313 1.00 0.36 N ATOM 253 CA THR A 20 1.431 8.836 -6.977 1.00 0.33 C ATOM 254 C THR A 20 1.328 7.439 -7.588 1.00 0.24 C ATOM 255 O THR A 20 0.451 6.647 -7.229 1.00 0.32 O ATOM 256 CB THR A 20 2.623 8.894 -5.996 1.00 0.53 C ATOM 257 OG1 THR A 20 3.843 8.582 -6.678 1.00 1.12 O ATOM 258 CG2 THR A 20 2.426 7.930 -4.834 1.00 0.44 C ATOM 0 H THR A 20 -0.239 8.479 -5.765 1.00 0.36 H new ATOM 0 HA THR A 20 1.600 9.549 -7.784 1.00 0.33 H new ATOM 0 HB THR A 20 2.679 9.908 -5.599 1.00 0.53 H new ATOM 0 HG1 THR A 20 4.394 8.001 -6.113 1.00 1.12 H new ATOM 0 HG21 THR A 20 3.281 7.993 -4.160 1.00 0.44 H new ATOM 0 HG22 THR A 20 1.517 8.193 -4.293 1.00 0.44 H new ATOM 0 HG23 THR A 20 2.339 6.913 -5.216 1.00 0.44 H new ATOM 266 N LYS A 21 2.224 7.169 -8.527 1.00 0.23 N ATOM 267 CA LYS A 21 2.306 5.880 -9.195 1.00 0.31 C ATOM 268 C LYS A 21 3.630 5.197 -8.877 1.00 0.23 C ATOM 269 O LYS A 21 3.848 4.038 -9.244 1.00 0.28 O ATOM 270 CB LYS A 21 2.176 6.068 -10.707 1.00 0.50 C ATOM 271 CG LYS A 21 0.757 5.909 -11.224 1.00 0.91 C ATOM 272 CD LYS A 21 0.364 4.443 -11.293 1.00 0.85 C ATOM 273 CE LYS A 21 -1.063 4.262 -11.779 1.00 1.30 C ATOM 274 NZ LYS A 21 -1.412 2.828 -11.932 1.00 2.18 N1+ ATOM 0 H LYS A 21 2.919 7.843 -8.848 1.00 0.23 H new ATOM 0 HA LYS A 21 1.491 5.252 -8.836 1.00 0.31 H new ATOM 0 HB2 LYS A 21 2.541 7.060 -10.973 1.00 0.50 H new ATOM 0 HB3 LYS A 21 2.819 5.346 -11.210 1.00 0.50 H new ATOM 0 HG2 LYS A 21 0.066 6.444 -10.572 1.00 0.91 H new ATOM 0 HG3 LYS A 21 0.674 6.358 -12.214 1.00 0.91 H new ATOM 0 HD2 LYS A 21 1.045 3.916 -11.961 1.00 0.85 H new ATOM 0 HD3 LYS A 21 0.472 3.991 -10.307 1.00 0.85 H new ATOM 0 HE2 LYS A 21 -1.750 4.731 -11.074 1.00 1.30 H new ATOM 0 HE3 LYS A 21 -1.190 4.771 -12.734 1.00 1.30 H new ATOM 0 HZ1 LYS A 21 -2.376 2.744 -12.314 1.00 2.18 H new ATOM 0 HZ2 LYS A 21 -0.741 2.375 -12.584 1.00 2.18 H new ATOM 0 HZ3 LYS A 21 -1.364 2.358 -11.005 1.00 2.18 H new ATOM 288 N ASP A 22 4.510 5.922 -8.198 1.00 0.20 N ATOM 289 CA ASP A 22 5.838 5.416 -7.882 1.00 0.22 C ATOM 290 C ASP A 22 6.288 5.890 -6.502 1.00 0.20 C ATOM 291 O ASP A 22 6.100 7.051 -6.136 1.00 0.24 O ATOM 292 CB ASP A 22 6.850 5.862 -8.949 1.00 0.34 C ATOM 293 CG ASP A 22 7.125 7.356 -8.930 1.00 1.26 C ATOM 294 OD1 ASP A 22 6.231 8.134 -9.327 1.00 1.86 O1- ATOM 295 OD2 ASP A 22 8.228 7.763 -8.501 1.00 2.06 O ATOM 0 H ASP A 22 4.326 6.865 -7.855 1.00 0.20 H new ATOM 0 HA ASP A 22 5.791 4.327 -7.873 1.00 0.22 H new ATOM 0 HB2 ASP A 22 7.787 5.325 -8.798 1.00 0.34 H new ATOM 0 HB3 ASP A 22 6.477 5.581 -9.934 1.00 0.34 H new ATOM 300 N ILE A 23 6.862 4.981 -5.730 1.00 0.19 N ATOM 301 CA ILE A 23 7.420 5.314 -4.427 1.00 0.21 C ATOM 302 C ILE A 23 8.844 4.790 -4.330 1.00 0.27 C ATOM 303 O ILE A 23 9.113 3.634 -4.650 1.00 0.32 O ATOM 304 CB ILE A 23 6.572 4.732 -3.269 1.00 0.21 C ATOM 305 CG1 ILE A 23 5.206 5.427 -3.206 1.00 0.22 C ATOM 306 CG2 ILE A 23 7.302 4.876 -1.936 1.00 0.26 C ATOM 307 CD1 ILE A 23 4.247 4.798 -2.216 1.00 0.23 C ATOM 0 H ILE A 23 6.954 3.998 -5.986 1.00 0.19 H new ATOM 0 HA ILE A 23 7.413 6.400 -4.332 1.00 0.21 H new ATOM 0 HB ILE A 23 6.417 3.670 -3.461 1.00 0.21 H new ATOM 0 HG12 ILE A 23 5.353 6.474 -2.941 1.00 0.22 H new ATOM 0 HG13 ILE A 23 4.754 5.410 -4.198 1.00 0.22 H new ATOM 0 HG21 ILE A 23 6.687 4.460 -1.138 1.00 0.26 H new ATOM 0 HG22 ILE A 23 8.250 4.340 -1.981 1.00 0.26 H new ATOM 0 HG23 ILE A 23 7.491 5.931 -1.737 1.00 0.26 H new ATOM 0 HD11 ILE A 23 3.303 5.343 -2.227 1.00 0.23 H new ATOM 0 HD12 ILE A 23 4.069 3.759 -2.492 1.00 0.23 H new ATOM 0 HD13 ILE A 23 4.678 4.839 -1.216 1.00 0.23 H new ATOM 319 N GLN A 24 9.756 5.649 -3.915 1.00 0.34 N ATOM 320 CA GLN A 24 11.150 5.266 -3.785 1.00 0.41 C ATOM 321 C GLN A 24 11.534 5.153 -2.319 1.00 0.35 C ATOM 322 O GLN A 24 11.349 6.090 -1.543 1.00 0.39 O ATOM 323 CB GLN A 24 12.052 6.274 -4.492 1.00 0.57 C ATOM 324 CG GLN A 24 11.789 6.380 -5.986 1.00 0.67 C ATOM 325 CD GLN A 24 12.672 7.412 -6.660 1.00 0.86 C ATOM 326 OE1 GLN A 24 13.086 8.390 -6.039 1.00 1.32 O ATOM 327 NE2 GLN A 24 12.951 7.215 -7.938 1.00 1.46 N ATOM 0 H GLN A 24 9.557 6.617 -3.662 1.00 0.34 H new ATOM 0 HA GLN A 24 11.284 4.293 -4.257 1.00 0.41 H new ATOM 0 HB2 GLN A 24 11.915 7.255 -4.036 1.00 0.57 H new ATOM 0 HB3 GLN A 24 13.093 5.992 -4.333 1.00 0.57 H new ATOM 0 HG2 GLN A 24 11.953 5.408 -6.450 1.00 0.67 H new ATOM 0 HG3 GLN A 24 10.743 6.639 -6.150 1.00 0.67 H new ATOM 0 HE21 GLN A 24 12.589 6.391 -8.418 1.00 1.46 H new ATOM 0 HE22 GLN A 24 13.528 7.887 -8.443 1.00 1.46 H new ATOM 336 N VAL A 25 12.057 4.001 -1.944 1.00 0.31 N ATOM 337 CA VAL A 25 12.456 3.756 -0.569 1.00 0.25 C ATOM 338 C VAL A 25 13.967 3.854 -0.430 1.00 0.26 C ATOM 339 O VAL A 25 14.708 3.094 -1.051 1.00 0.30 O ATOM 340 CB VAL A 25 11.984 2.371 -0.078 1.00 0.23 C ATOM 341 CG1 VAL A 25 12.443 2.117 1.351 1.00 0.22 C ATOM 342 CG2 VAL A 25 10.470 2.264 -0.180 1.00 0.23 C ATOM 0 H VAL A 25 12.216 3.216 -2.575 1.00 0.31 H new ATOM 0 HA VAL A 25 11.981 4.519 0.048 1.00 0.25 H new ATOM 0 HB VAL A 25 12.432 1.609 -0.717 1.00 0.23 H new ATOM 0 HG11 VAL A 25 12.098 1.135 1.675 1.00 0.22 H new ATOM 0 HG12 VAL A 25 13.532 2.152 1.395 1.00 0.22 H new ATOM 0 HG13 VAL A 25 12.028 2.882 2.008 1.00 0.22 H new ATOM 0 HG21 VAL A 25 10.150 1.282 0.169 1.00 0.23 H new ATOM 0 HG22 VAL A 25 10.008 3.036 0.435 1.00 0.23 H new ATOM 0 HG23 VAL A 25 10.165 2.397 -1.218 1.00 0.23 H new ATOM 352 N SER A 26 14.414 4.801 0.373 1.00 0.27 N ATOM 353 CA SER A 26 15.832 5.003 0.601 1.00 0.29 C ATOM 354 C SER A 26 16.392 3.918 1.511 1.00 0.26 C ATOM 355 O SER A 26 15.887 3.692 2.613 1.00 0.25 O ATOM 356 CB SER A 26 16.069 6.382 1.224 1.00 0.36 C ATOM 357 OG SER A 26 17.446 6.614 1.457 1.00 1.16 O ATOM 0 H SER A 26 13.810 5.447 0.882 1.00 0.27 H new ATOM 0 HA SER A 26 16.347 4.948 -0.358 1.00 0.29 H new ATOM 0 HB2 SER A 26 15.675 7.154 0.563 1.00 0.36 H new ATOM 0 HB3 SER A 26 15.522 6.457 2.164 1.00 0.36 H new ATOM 0 HG SER A 26 17.566 7.502 1.853 1.00 1.16 H new ATOM 363 N LYS A 27 17.438 3.244 1.046 1.00 0.32 N ATOM 364 CA LYS A 27 18.106 2.228 1.850 1.00 0.36 C ATOM 365 C LYS A 27 18.975 2.884 2.920 1.00 0.42 C ATOM 366 O LYS A 27 19.484 2.216 3.822 1.00 0.54 O ATOM 367 CB LYS A 27 18.957 1.302 0.973 1.00 0.45 C ATOM 368 CG LYS A 27 20.115 2.003 0.288 1.00 0.82 C ATOM 369 CD LYS A 27 21.044 1.019 -0.404 1.00 0.86 C ATOM 370 CE LYS A 27 20.347 0.262 -1.523 1.00 0.98 C ATOM 371 NZ LYS A 27 21.265 -0.696 -2.194 1.00 0.97 N1+ ATOM 0 H LYS A 27 17.841 3.382 0.119 1.00 0.32 H new ATOM 0 HA LYS A 27 17.339 1.626 2.337 1.00 0.36 H new ATOM 0 HB2 LYS A 27 19.348 0.492 1.588 1.00 0.45 H new ATOM 0 HB3 LYS A 27 18.319 0.848 0.215 1.00 0.45 H new ATOM 0 HG2 LYS A 27 19.728 2.713 -0.443 1.00 0.82 H new ATOM 0 HG3 LYS A 27 20.678 2.578 1.024 1.00 0.82 H new ATOM 0 HD2 LYS A 27 21.902 1.555 -0.810 1.00 0.86 H new ATOM 0 HD3 LYS A 27 21.429 0.309 0.328 1.00 0.86 H new ATOM 0 HE2 LYS A 27 19.490 -0.277 -1.119 1.00 0.98 H new ATOM 0 HE3 LYS A 27 19.961 0.970 -2.256 1.00 0.98 H new ATOM 0 HZ1 LYS A 27 20.755 -1.194 -2.951 1.00 0.97 H new ATOM 0 HZ2 LYS A 27 22.070 -0.178 -2.601 1.00 0.97 H new ATOM 0 HZ3 LYS A 27 21.614 -1.387 -1.499 1.00 0.97 H new ATOM 385 N ALA A 28 19.127 4.204 2.820 1.00 0.44 N ATOM 386 CA ALA A 28 19.863 4.976 3.813 1.00 0.53 C ATOM 387 C ALA A 28 19.029 5.148 5.077 1.00 0.49 C ATOM 388 O ALA A 28 19.464 5.763 6.051 1.00 0.63 O ATOM 389 CB ALA A 28 20.254 6.336 3.255 1.00 0.65 C ATOM 0 H ALA A 28 18.746 4.761 2.055 1.00 0.44 H new ATOM 0 HA ALA A 28 20.773 4.430 4.063 1.00 0.53 H new ATOM 0 HB1 ALA A 28 20.802 6.896 4.012 1.00 0.65 H new ATOM 0 HB2 ALA A 28 20.884 6.201 2.376 1.00 0.65 H new ATOM 0 HB3 ALA A 28 19.356 6.887 2.976 1.00 0.65 H new ATOM 395 N CYS A 29 17.825 4.608 5.042 1.00 0.37 N ATOM 396 CA CYS A 29 16.929 4.649 6.178 1.00 0.40 C ATOM 397 C CYS A 29 16.746 3.247 6.734 1.00 0.40 C ATOM 398 O CYS A 29 16.637 2.280 5.979 1.00 0.40 O ATOM 399 CB CYS A 29 15.582 5.226 5.748 1.00 0.41 C ATOM 400 SG CYS A 29 15.697 6.913 5.074 1.00 0.49 S ATOM 0 H CYS A 29 17.443 4.130 4.226 1.00 0.37 H new ATOM 0 HA CYS A 29 17.354 5.285 6.955 1.00 0.40 H new ATOM 0 HB2 CYS A 29 15.139 4.572 4.997 1.00 0.41 H new ATOM 0 HB3 CYS A 29 14.908 5.230 6.604 1.00 0.41 H new ATOM 0 HG CYS A 29 15.066 7.737 5.857 1.00 0.49 H new ATOM 405 N LYS A 30 16.744 3.140 8.052 1.00 0.49 N ATOM 406 CA LYS A 30 16.523 1.866 8.715 1.00 0.59 C ATOM 407 C LYS A 30 15.051 1.491 8.633 1.00 0.51 C ATOM 408 O LYS A 30 14.696 0.317 8.549 1.00 0.52 O ATOM 409 CB LYS A 30 16.970 1.951 10.176 1.00 0.81 C ATOM 410 CG LYS A 30 16.807 0.657 10.953 1.00 1.42 C ATOM 411 CD LYS A 30 17.287 0.813 12.383 1.00 2.13 C ATOM 412 CE LYS A 30 17.135 -0.480 13.169 1.00 2.73 C ATOM 413 NZ LYS A 30 17.885 -1.604 12.549 1.00 3.49 N1+ ATOM 0 H LYS A 30 16.894 3.924 8.687 1.00 0.49 H new ATOM 0 HA LYS A 30 17.111 1.096 8.216 1.00 0.59 H new ATOM 0 HB2 LYS A 30 18.018 2.251 10.207 1.00 0.81 H new ATOM 0 HB3 LYS A 30 16.399 2.735 10.674 1.00 0.81 H new ATOM 0 HG2 LYS A 30 15.759 0.357 10.949 1.00 1.42 H new ATOM 0 HG3 LYS A 30 17.369 -0.138 10.463 1.00 1.42 H new ATOM 0 HD2 LYS A 30 18.333 1.120 12.385 1.00 2.13 H new ATOM 0 HD3 LYS A 30 16.722 1.606 12.873 1.00 2.13 H new ATOM 0 HE2 LYS A 30 17.489 -0.327 14.189 1.00 2.73 H new ATOM 0 HE3 LYS A 30 16.079 -0.742 13.234 1.00 2.73 H new ATOM 0 HZ1 LYS A 30 17.938 -2.397 13.219 1.00 3.49 H new ATOM 0 HZ2 LYS A 30 17.396 -1.913 11.685 1.00 3.49 H new ATOM 0 HZ3 LYS A 30 18.846 -1.289 12.308 1.00 3.49 H new ATOM 427 N GLU A 31 14.201 2.505 8.652 1.00 0.51 N ATOM 428 CA GLU A 31 12.765 2.316 8.540 1.00 0.52 C ATOM 429 C GLU A 31 12.184 3.321 7.561 1.00 0.42 C ATOM 430 O GLU A 31 12.596 4.480 7.538 1.00 0.44 O ATOM 431 CB GLU A 31 12.091 2.490 9.902 1.00 0.69 C ATOM 432 CG GLU A 31 12.427 1.407 10.909 1.00 1.15 C ATOM 433 CD GLU A 31 11.828 1.690 12.269 1.00 1.39 C ATOM 434 OE1 GLU A 31 10.637 1.385 12.478 1.00 1.71 O ATOM 435 OE2 GLU A 31 12.545 2.229 13.138 1.00 2.00 O1- ATOM 0 H GLU A 31 14.487 3.480 8.745 1.00 0.51 H new ATOM 0 HA GLU A 31 12.580 1.304 8.179 1.00 0.52 H new ATOM 0 HB2 GLU A 31 12.379 3.456 10.316 1.00 0.69 H new ATOM 0 HB3 GLU A 31 11.011 2.514 9.759 1.00 0.69 H new ATOM 0 HG2 GLU A 31 12.061 0.447 10.545 1.00 1.15 H new ATOM 0 HG3 GLU A 31 13.510 1.321 11.001 1.00 1.15 H new ATOM 442 N PHE A 32 11.243 2.879 6.748 1.00 0.36 N ATOM 443 CA PHE A 32 10.559 3.782 5.842 1.00 0.30 C ATOM 444 C PHE A 32 9.081 3.813 6.185 1.00 0.25 C ATOM 445 O PHE A 32 8.425 2.770 6.231 1.00 0.29 O ATOM 446 CB PHE A 32 10.764 3.353 4.389 1.00 0.32 C ATOM 447 CG PHE A 32 10.396 4.418 3.392 1.00 0.30 C ATOM 448 CD1 PHE A 32 11.281 5.444 3.105 1.00 0.30 C ATOM 449 CD2 PHE A 32 9.172 4.393 2.745 1.00 0.32 C ATOM 450 CE1 PHE A 32 10.952 6.425 2.192 1.00 0.32 C ATOM 451 CE2 PHE A 32 8.838 5.374 1.830 1.00 0.34 C ATOM 452 CZ PHE A 32 9.731 6.390 1.554 1.00 0.34 C ATOM 0 H PHE A 32 10.937 1.908 6.696 1.00 0.36 H new ATOM 0 HA PHE A 32 10.976 4.783 5.955 1.00 0.30 H new ATOM 0 HB2 PHE A 32 11.808 3.076 4.244 1.00 0.32 H new ATOM 0 HB3 PHE A 32 10.168 2.462 4.194 1.00 0.32 H new ATOM 0 HD1 PHE A 32 12.240 5.477 3.601 1.00 0.30 H new ATOM 0 HD2 PHE A 32 8.471 3.599 2.957 1.00 0.32 H new ATOM 0 HE1 PHE A 32 11.651 7.220 1.978 1.00 0.32 H new ATOM 0 HE2 PHE A 32 7.880 5.346 1.332 1.00 0.34 H new ATOM 0 HZ PHE A 32 9.473 7.157 0.839 1.00 0.34 H new ATOM 462 N THR A 33 8.567 5.002 6.442 1.00 0.21 N ATOM 463 CA THR A 33 7.188 5.157 6.868 1.00 0.19 C ATOM 464 C THR A 33 6.342 5.770 5.760 1.00 0.17 C ATOM 465 O THR A 33 6.735 6.752 5.134 1.00 0.26 O ATOM 466 CB THR A 33 7.103 6.040 8.129 1.00 0.24 C ATOM 467 OG1 THR A 33 7.994 5.537 9.135 1.00 0.32 O ATOM 468 CG2 THR A 33 5.684 6.077 8.680 1.00 0.26 C ATOM 0 H THR A 33 9.085 5.877 6.363 1.00 0.21 H new ATOM 0 HA THR A 33 6.800 4.165 7.100 1.00 0.19 H new ATOM 0 HB THR A 33 7.392 7.054 7.853 1.00 0.24 H new ATOM 0 HG1 THR A 33 7.938 6.102 9.934 1.00 0.32 H new ATOM 0 HG21 THR A 33 5.655 6.707 9.569 1.00 0.26 H new ATOM 0 HG22 THR A 33 5.011 6.483 7.925 1.00 0.26 H new ATOM 0 HG23 THR A 33 5.369 5.067 8.941 1.00 0.26 H new ATOM 476 N ILE A 34 5.190 5.178 5.512 1.00 0.16 N ATOM 477 CA ILE A 34 4.264 5.698 4.527 1.00 0.17 C ATOM 478 C ILE A 34 2.937 6.029 5.188 1.00 0.17 C ATOM 479 O ILE A 34 2.324 5.173 5.827 1.00 0.21 O ATOM 480 CB ILE A 34 4.024 4.699 3.373 1.00 0.18 C ATOM 481 CG1 ILE A 34 5.342 4.391 2.655 1.00 0.19 C ATOM 482 CG2 ILE A 34 2.989 5.253 2.397 1.00 0.23 C ATOM 483 CD1 ILE A 34 5.204 3.402 1.516 1.00 0.22 C ATOM 0 H ILE A 34 4.872 4.331 5.983 1.00 0.16 H new ATOM 0 HA ILE A 34 4.710 6.599 4.106 1.00 0.17 H new ATOM 0 HB ILE A 34 3.636 3.769 3.788 1.00 0.18 H new ATOM 0 HG12 ILE A 34 5.759 5.321 2.268 1.00 0.19 H new ATOM 0 HG13 ILE A 34 6.056 3.999 3.379 1.00 0.19 H new ATOM 0 HG21 ILE A 34 2.831 4.538 1.590 1.00 0.23 H new ATOM 0 HG22 ILE A 34 2.048 5.422 2.921 1.00 0.23 H new ATOM 0 HG23 ILE A 34 3.348 6.195 1.982 1.00 0.23 H new ATOM 0 HD11 ILE A 34 6.179 3.236 1.058 1.00 0.22 H new ATOM 0 HD12 ILE A 34 4.817 2.458 1.899 1.00 0.22 H new ATOM 0 HD13 ILE A 34 4.516 3.800 0.770 1.00 0.22 H new ATOM 495 N THR A 35 2.510 7.269 5.052 1.00 0.18 N ATOM 496 CA THR A 35 1.245 7.702 5.609 1.00 0.19 C ATOM 497 C THR A 35 0.210 7.859 4.505 1.00 0.17 C ATOM 498 O THR A 35 0.406 8.628 3.564 1.00 0.20 O ATOM 499 CB THR A 35 1.397 9.032 6.373 1.00 0.23 C ATOM 500 OG1 THR A 35 2.339 8.867 7.441 1.00 0.23 O ATOM 501 CG2 THR A 35 0.061 9.500 6.939 1.00 0.28 C ATOM 0 H THR A 35 3.025 7.998 4.557 1.00 0.18 H new ATOM 0 HA THR A 35 0.911 6.939 6.312 1.00 0.19 H new ATOM 0 HB THR A 35 1.755 9.788 5.674 1.00 0.23 H new ATOM 0 HG1 THR A 35 2.436 9.713 7.925 1.00 0.23 H new ATOM 0 HG21 THR A 35 0.201 10.440 7.472 1.00 0.28 H new ATOM 0 HG22 THR A 35 -0.648 9.647 6.124 1.00 0.28 H new ATOM 0 HG23 THR A 35 -0.327 8.748 7.626 1.00 0.28 H new ATOM 509 N LEU A 36 -0.875 7.113 4.616 1.00 0.16 N ATOM 510 CA LEU A 36 -1.950 7.174 3.644 1.00 0.14 C ATOM 511 C LEU A 36 -3.141 7.901 4.243 1.00 0.17 C ATOM 512 O LEU A 36 -3.579 7.582 5.349 1.00 0.20 O ATOM 513 CB LEU A 36 -2.371 5.763 3.222 1.00 0.16 C ATOM 514 CG LEU A 36 -3.498 5.696 2.183 1.00 0.14 C ATOM 515 CD1 LEU A 36 -2.992 6.116 0.812 1.00 0.17 C ATOM 516 CD2 LEU A 36 -4.100 4.299 2.125 1.00 0.18 C ATOM 0 H LEU A 36 -1.034 6.453 5.377 1.00 0.16 H new ATOM 0 HA LEU A 36 -1.596 7.713 2.766 1.00 0.14 H new ATOM 0 HB2 LEU A 36 -1.499 5.247 2.821 1.00 0.16 H new ATOM 0 HB3 LEU A 36 -2.686 5.215 4.110 1.00 0.16 H new ATOM 0 HG LEU A 36 -4.280 6.392 2.488 1.00 0.14 H new ATOM 0 HD11 LEU A 36 -3.807 6.061 0.091 1.00 0.17 H new ATOM 0 HD12 LEU A 36 -2.618 7.139 0.860 1.00 0.17 H new ATOM 0 HD13 LEU A 36 -2.187 5.450 0.501 1.00 0.17 H new ATOM 0 HD21 LEU A 36 -4.897 4.277 1.381 1.00 0.18 H new ATOM 0 HD22 LEU A 36 -3.327 3.581 1.851 1.00 0.18 H new ATOM 0 HD23 LEU A 36 -4.508 4.038 3.102 1.00 0.18 H new ATOM 528 N LYS A 37 -3.656 8.883 3.527 1.00 0.21 N ATOM 529 CA LYS A 37 -4.835 9.594 3.980 1.00 0.27 C ATOM 530 C LYS A 37 -5.874 9.641 2.874 1.00 0.20 C ATOM 531 O LYS A 37 -5.581 10.018 1.738 1.00 0.22 O ATOM 532 CB LYS A 37 -4.482 11.005 4.464 1.00 0.42 C ATOM 533 CG LYS A 37 -5.641 11.718 5.149 1.00 1.22 C ATOM 534 CD LYS A 37 -5.145 12.839 6.047 1.00 1.21 C ATOM 535 CE LYS A 37 -6.288 13.542 6.764 1.00 2.09 C ATOM 536 NZ LYS A 37 -7.170 14.282 5.824 1.00 2.62 N1+ ATOM 0 H LYS A 37 -3.279 9.204 2.635 1.00 0.21 H new ATOM 0 HA LYS A 37 -5.256 9.055 4.829 1.00 0.27 H new ATOM 0 HB2 LYS A 37 -3.643 10.944 5.157 1.00 0.42 H new ATOM 0 HB3 LYS A 37 -4.151 11.601 3.613 1.00 0.42 H new ATOM 0 HG2 LYS A 37 -6.317 12.124 4.397 1.00 1.22 H new ATOM 0 HG3 LYS A 37 -6.213 11.002 5.739 1.00 1.22 H new ATOM 0 HD2 LYS A 37 -4.450 12.434 6.783 1.00 1.21 H new ATOM 0 HD3 LYS A 37 -4.591 13.564 5.450 1.00 1.21 H new ATOM 0 HE2 LYS A 37 -6.878 12.807 7.311 1.00 2.09 H new ATOM 0 HE3 LYS A 37 -5.881 14.235 7.500 1.00 2.09 H new ATOM 0 HZ1 LYS A 37 -7.862 14.840 6.364 1.00 2.62 H new ATOM 0 HZ2 LYS A 37 -6.595 14.918 5.236 1.00 2.62 H new ATOM 0 HZ3 LYS A 37 -7.672 13.606 5.213 1.00 2.62 H new ATOM 550 N HIS A 38 -7.084 9.235 3.209 1.00 0.18 N ATOM 551 CA HIS A 38 -8.157 9.163 2.236 1.00 0.16 C ATOM 552 C HIS A 38 -8.864 10.507 2.138 1.00 0.23 C ATOM 553 O HIS A 38 -9.680 10.851 2.988 1.00 0.29 O ATOM 554 CB HIS A 38 -9.144 8.049 2.618 1.00 0.21 C ATOM 555 CG HIS A 38 -10.275 7.838 1.649 1.00 0.20 C ATOM 556 ND1 HIS A 38 -10.387 8.488 0.436 1.00 0.18 N ATOM 557 CD2 HIS A 38 -11.357 7.032 1.737 1.00 0.29 C ATOM 558 CE1 HIS A 38 -11.494 8.093 -0.169 1.00 0.19 C ATOM 559 NE2 HIS A 38 -12.099 7.205 0.600 1.00 0.24 N ATOM 0 H HIS A 38 -7.349 8.949 4.152 1.00 0.18 H new ATOM 0 HA HIS A 38 -7.737 8.925 1.258 1.00 0.16 H new ATOM 0 HB2 HIS A 38 -8.592 7.114 2.717 1.00 0.21 H new ATOM 0 HB3 HIS A 38 -9.564 8.277 3.598 1.00 0.21 H new ATOM 0 HD1 HIS A 38 -9.721 9.166 0.065 1.00 0.18 H new ATOM 0 HD2 HIS A 38 -11.593 6.370 2.557 1.00 0.29 H new ATOM 0 HE1 HIS A 38 -11.845 8.438 -1.130 1.00 0.19 H new ATOM 568 N THR A 39 -8.548 11.246 1.087 1.00 0.30 N ATOM 569 CA THR A 39 -9.153 12.541 0.827 1.00 0.44 C ATOM 570 C THR A 39 -10.538 12.372 0.204 1.00 0.55 C ATOM 571 O THR A 39 -10.842 12.919 -0.855 1.00 1.42 O ATOM 572 CB THR A 39 -8.250 13.375 -0.099 1.00 0.52 C ATOM 573 OG1 THR A 39 -7.762 12.556 -1.171 1.00 1.60 O ATOM 574 CG2 THR A 39 -7.075 13.952 0.676 1.00 1.46 C ATOM 0 H THR A 39 -7.862 10.963 0.388 1.00 0.30 H new ATOM 0 HA THR A 39 -9.264 13.066 1.776 1.00 0.44 H new ATOM 0 HB THR A 39 -8.839 14.197 -0.507 1.00 0.52 H new ATOM 0 HG1 THR A 39 -7.189 13.092 -1.758 1.00 1.60 H new ATOM 0 HG21 THR A 39 -6.448 14.538 0.004 1.00 1.46 H new ATOM 0 HG22 THR A 39 -7.446 14.592 1.477 1.00 1.46 H new ATOM 0 HG23 THR A 39 -6.487 13.140 1.104 1.00 1.46 H new ATOM 582 N GLY A 40 -11.369 11.602 0.882 1.00 0.61 N ATOM 583 CA GLY A 40 -12.706 11.338 0.413 1.00 0.56 C ATOM 584 C GLY A 40 -13.629 11.022 1.567 1.00 0.66 C ATOM 585 O GLY A 40 -13.320 10.158 2.389 1.00 1.16 O ATOM 0 H GLY A 40 -11.134 11.148 1.765 1.00 0.61 H new ATOM 0 HA2 GLY A 40 -13.082 12.204 -0.132 1.00 0.56 H new ATOM 0 HA3 GLY A 40 -12.692 10.502 -0.286 1.00 0.56 H new ATOM 589 N THR A 41 -14.765 11.700 1.622 1.00 0.46 N ATOM 590 CA THR A 41 -15.691 11.558 2.735 1.00 0.53 C ATOM 591 C THR A 41 -16.584 10.329 2.545 1.00 0.46 C ATOM 592 O THR A 41 -17.549 10.115 3.281 1.00 0.75 O ATOM 593 CB THR A 41 -16.560 12.828 2.904 1.00 0.71 C ATOM 594 OG1 THR A 41 -17.405 12.711 4.056 1.00 1.41 O ATOM 595 CG2 THR A 41 -17.413 13.077 1.669 1.00 1.53 C ATOM 0 H THR A 41 -15.069 12.358 0.904 1.00 0.46 H new ATOM 0 HA THR A 41 -15.101 11.424 3.641 1.00 0.53 H new ATOM 0 HB THR A 41 -15.886 13.674 3.038 1.00 0.71 H new ATOM 0 HG1 THR A 41 -17.753 11.797 4.115 1.00 1.41 H new ATOM 0 HG21 THR A 41 -18.013 13.975 1.816 1.00 1.53 H new ATOM 0 HG22 THR A 41 -16.767 13.210 0.801 1.00 1.53 H new ATOM 0 HG23 THR A 41 -18.071 12.224 1.504 1.00 1.53 H new ATOM 603 N GLN A 42 -16.246 9.512 1.562 1.00 0.41 N ATOM 604 CA GLN A 42 -17.007 8.310 1.284 1.00 0.35 C ATOM 605 C GLN A 42 -16.610 7.195 2.242 1.00 0.29 C ATOM 606 O GLN A 42 -15.423 6.928 2.450 1.00 0.31 O ATOM 607 CB GLN A 42 -16.822 7.872 -0.170 1.00 0.39 C ATOM 608 CG GLN A 42 -17.436 8.845 -1.169 1.00 0.59 C ATOM 609 CD GLN A 42 -18.876 9.187 -0.833 1.00 1.37 C ATOM 610 OE1 GLN A 42 -19.145 10.136 -0.097 1.00 1.89 O ATOM 611 NE2 GLN A 42 -19.811 8.423 -1.370 1.00 2.08 N ATOM 0 H GLN A 42 -15.449 9.661 0.944 1.00 0.41 H new ATOM 0 HA GLN A 42 -18.064 8.531 1.435 1.00 0.35 H new ATOM 0 HB2 GLN A 42 -15.757 7.769 -0.380 1.00 0.39 H new ATOM 0 HB3 GLN A 42 -17.271 6.888 -0.307 1.00 0.39 H new ATOM 0 HG2 GLN A 42 -16.844 9.760 -1.192 1.00 0.59 H new ATOM 0 HG3 GLN A 42 -17.392 8.412 -2.168 1.00 0.59 H new ATOM 0 HE21 GLN A 42 -19.549 7.645 -1.975 1.00 2.08 H new ATOM 0 HE22 GLN A 42 -20.795 8.611 -1.179 1.00 2.08 H new ATOM 620 N PRO A 43 -17.618 6.544 2.839 1.00 0.32 N ATOM 621 CA PRO A 43 -17.423 5.504 3.856 1.00 0.35 C ATOM 622 C PRO A 43 -16.724 4.266 3.297 1.00 0.31 C ATOM 623 O PRO A 43 -16.761 4.004 2.093 1.00 0.29 O ATOM 624 CB PRO A 43 -18.850 5.171 4.302 1.00 0.47 C ATOM 625 CG PRO A 43 -19.717 5.583 3.167 1.00 0.49 C ATOM 626 CD PRO A 43 -19.046 6.775 2.553 1.00 0.40 C ATOM 0 HA PRO A 43 -16.780 5.842 4.669 1.00 0.35 H new ATOM 0 HB2 PRO A 43 -18.958 4.107 4.515 1.00 0.47 H new ATOM 0 HB3 PRO A 43 -19.113 5.707 5.214 1.00 0.47 H new ATOM 0 HG2 PRO A 43 -19.821 4.776 2.442 1.00 0.49 H new ATOM 0 HG3 PRO A 43 -20.720 5.833 3.512 1.00 0.49 H new ATOM 0 HD2 PRO A 43 -19.237 6.837 1.482 1.00 0.40 H new ATOM 0 HD3 PRO A 43 -19.399 7.707 2.994 1.00 0.40 H new ATOM 634 N LYS A 44 -16.106 3.500 4.193 1.00 0.33 N ATOM 635 CA LYS A 44 -15.239 2.382 3.812 1.00 0.34 C ATOM 636 C LYS A 44 -16.029 1.222 3.212 1.00 0.36 C ATOM 637 O LYS A 44 -15.455 0.338 2.574 1.00 0.44 O ATOM 638 CB LYS A 44 -14.425 1.898 5.021 1.00 0.43 C ATOM 639 CG LYS A 44 -15.270 1.393 6.182 1.00 0.49 C ATOM 640 CD LYS A 44 -14.407 1.046 7.384 1.00 0.66 C ATOM 641 CE LYS A 44 -15.250 0.673 8.594 1.00 1.06 C ATOM 642 NZ LYS A 44 -16.060 -0.554 8.363 1.00 1.82 N1+ ATOM 0 H LYS A 44 -16.190 3.634 5.201 1.00 0.33 H new ATOM 0 HA LYS A 44 -14.558 2.749 3.044 1.00 0.34 H new ATOM 0 HB2 LYS A 44 -13.757 1.099 4.698 1.00 0.43 H new ATOM 0 HB3 LYS A 44 -13.797 2.716 5.373 1.00 0.43 H new ATOM 0 HG2 LYS A 44 -15.998 2.154 6.462 1.00 0.49 H new ATOM 0 HG3 LYS A 44 -15.832 0.513 5.869 1.00 0.49 H new ATOM 0 HD2 LYS A 44 -13.747 0.216 7.131 1.00 0.66 H new ATOM 0 HD3 LYS A 44 -13.770 1.895 7.632 1.00 0.66 H new ATOM 0 HE2 LYS A 44 -14.598 0.519 9.454 1.00 1.06 H new ATOM 0 HE3 LYS A 44 -15.913 1.502 8.841 1.00 1.06 H new ATOM 0 HZ1 LYS A 44 -16.551 -0.816 9.241 1.00 1.82 H new ATOM 0 HZ2 LYS A 44 -16.760 -0.372 7.616 1.00 1.82 H new ATOM 0 HZ3 LYS A 44 -15.435 -1.332 8.070 1.00 1.82 H new ATOM 656 N ALA A 45 -17.336 1.223 3.430 1.00 0.40 N ATOM 657 CA ALA A 45 -18.211 0.225 2.834 1.00 0.46 C ATOM 658 C ALA A 45 -18.529 0.577 1.384 1.00 0.48 C ATOM 659 O ALA A 45 -18.913 -0.286 0.596 1.00 0.58 O ATOM 660 CB ALA A 45 -19.497 0.101 3.636 1.00 0.59 C ATOM 0 H ALA A 45 -17.815 1.906 4.017 1.00 0.40 H new ATOM 0 HA ALA A 45 -17.692 -0.733 2.849 1.00 0.46 H new ATOM 0 HB1 ALA A 45 -20.141 -0.649 3.177 1.00 0.59 H new ATOM 0 HB2 ALA A 45 -19.261 -0.198 4.657 1.00 0.59 H new ATOM 0 HB3 ALA A 45 -20.012 1.062 3.649 1.00 0.59 H new ATOM 666 N SER A 46 -18.356 1.844 1.038 1.00 0.49 N ATOM 667 CA SER A 46 -18.685 2.322 -0.295 1.00 0.63 C ATOM 668 C SER A 46 -17.418 2.566 -1.111 1.00 0.47 C ATOM 669 O SER A 46 -17.318 2.147 -2.263 1.00 0.61 O ATOM 670 CB SER A 46 -19.509 3.608 -0.200 1.00 0.83 C ATOM 671 OG SER A 46 -20.654 3.423 0.621 1.00 1.51 O ATOM 0 H SER A 46 -17.989 2.561 1.664 1.00 0.49 H new ATOM 0 HA SER A 46 -19.275 1.558 -0.801 1.00 0.63 H new ATOM 0 HB2 SER A 46 -18.892 4.410 0.206 1.00 0.83 H new ATOM 0 HB3 SER A 46 -19.819 3.919 -1.197 1.00 0.83 H new ATOM 0 HG SER A 46 -21.162 4.260 0.667 1.00 1.51 H new ATOM 677 N MET A 47 -16.450 3.241 -0.504 1.00 0.27 N ATOM 678 CA MET A 47 -15.194 3.550 -1.171 1.00 0.21 C ATOM 679 C MET A 47 -14.074 3.676 -0.146 1.00 0.17 C ATOM 680 O MET A 47 -13.706 4.782 0.272 1.00 0.19 O ATOM 681 CB MET A 47 -15.317 4.847 -1.978 1.00 0.29 C ATOM 682 CG MET A 47 -14.046 5.218 -2.735 1.00 0.42 C ATOM 683 SD MET A 47 -14.123 6.868 -3.452 1.00 1.13 S ATOM 684 CE MET A 47 -15.491 6.682 -4.591 1.00 0.81 C ATOM 0 H MET A 47 -16.513 3.586 0.454 1.00 0.27 H new ATOM 0 HA MET A 47 -14.958 2.737 -1.857 1.00 0.21 H new ATOM 0 HB2 MET A 47 -16.137 4.746 -2.689 1.00 0.29 H new ATOM 0 HB3 MET A 47 -15.579 5.662 -1.303 1.00 0.29 H new ATOM 0 HG2 MET A 47 -13.194 5.160 -2.058 1.00 0.42 H new ATOM 0 HG3 MET A 47 -13.874 4.489 -3.527 1.00 0.42 H new ATOM 0 HE1 MET A 47 -15.237 7.147 -5.543 1.00 0.81 H new ATOM 0 HE2 MET A 47 -15.693 5.622 -4.747 1.00 0.81 H new ATOM 0 HE3 MET A 47 -16.377 7.163 -4.177 1.00 0.81 H new ATOM 694 N GLY A 48 -13.555 2.539 0.275 1.00 0.14 N ATOM 695 CA GLY A 48 -12.453 2.530 1.207 1.00 0.12 C ATOM 696 C GLY A 48 -11.139 2.288 0.505 1.00 0.11 C ATOM 697 O GLY A 48 -11.106 1.760 -0.610 1.00 0.13 O ATOM 0 H GLY A 48 -13.879 1.616 -0.014 1.00 0.14 H new ATOM 0 HA2 GLY A 48 -12.414 3.482 1.736 1.00 0.12 H new ATOM 0 HA3 GLY A 48 -12.615 1.755 1.956 1.00 0.12 H new ATOM 701 N HIS A 49 -10.045 2.686 1.133 1.00 0.11 N ATOM 702 CA HIS A 49 -8.737 2.511 0.516 1.00 0.11 C ATOM 703 C HIS A 49 -7.755 1.878 1.488 1.00 0.12 C ATOM 704 O HIS A 49 -7.878 2.032 2.707 1.00 0.15 O ATOM 705 CB HIS A 49 -8.170 3.842 0.001 1.00 0.12 C ATOM 706 CG HIS A 49 -8.967 4.478 -1.101 1.00 0.12 C ATOM 707 ND1 HIS A 49 -9.271 3.813 -2.266 1.00 0.13 N ATOM 708 CD2 HIS A 49 -9.474 5.730 -1.168 1.00 0.13 C ATOM 709 CE1 HIS A 49 -9.951 4.671 -3.004 1.00 0.14 C ATOM 710 NE2 HIS A 49 -10.100 5.848 -2.383 1.00 0.14 N ATOM 0 H HIS A 49 -10.033 3.125 2.054 1.00 0.11 H new ATOM 0 HA HIS A 49 -8.874 1.844 -0.335 1.00 0.11 H new ATOM 0 HB2 HIS A 49 -8.106 4.541 0.835 1.00 0.12 H new ATOM 0 HB3 HIS A 49 -7.153 3.675 -0.354 1.00 0.12 H new ATOM 0 HD2 HIS A 49 -9.400 6.494 -0.408 1.00 0.13 H new ATOM 0 HE1 HIS A 49 -10.339 4.451 -3.987 1.00 0.14 H new ATOM 0 HE2 HIS A 49 -10.584 6.671 -2.743 1.00 0.14 H new ATOM 718 N ASN A 50 -6.796 1.157 0.932 1.00 0.12 N ATOM 719 CA ASN A 50 -5.753 0.501 1.703 1.00 0.19 C ATOM 720 C ASN A 50 -4.499 0.381 0.844 1.00 0.24 C ATOM 721 O ASN A 50 -4.588 0.032 -0.324 1.00 0.43 O ATOM 722 CB ASN A 50 -6.231 -0.889 2.136 1.00 0.29 C ATOM 723 CG ASN A 50 -5.168 -1.688 2.859 1.00 0.67 C ATOM 724 OD1 ASN A 50 -4.313 -1.137 3.548 1.00 1.48 O ATOM 725 ND2 ASN A 50 -5.210 -2.999 2.696 1.00 0.69 N ATOM 0 H ASN A 50 -6.719 1.009 -0.074 1.00 0.12 H new ATOM 0 HA ASN A 50 -5.526 1.088 2.593 1.00 0.19 H new ATOM 0 HB2 ASN A 50 -7.100 -0.781 2.786 1.00 0.29 H new ATOM 0 HB3 ASN A 50 -6.558 -1.444 1.256 1.00 0.29 H new ATOM 0 HD21 ASN A 50 -4.516 -3.592 3.151 1.00 0.69 H new ATOM 0 HD22 ASN A 50 -5.937 -3.418 2.115 1.00 0.69 H new ATOM 732 N LEU A 51 -3.340 0.677 1.407 1.00 0.17 N ATOM 733 CA LEU A 51 -2.100 0.602 0.651 1.00 0.17 C ATOM 734 C LEU A 51 -1.241 -0.543 1.170 1.00 0.17 C ATOM 735 O LEU A 51 -0.812 -0.543 2.327 1.00 0.20 O ATOM 736 CB LEU A 51 -1.343 1.942 0.718 1.00 0.18 C ATOM 737 CG LEU A 51 -0.151 2.091 -0.243 1.00 0.20 C ATOM 738 CD1 LEU A 51 0.106 3.562 -0.542 1.00 0.20 C ATOM 739 CD2 LEU A 51 1.109 1.459 0.338 1.00 0.22 C ATOM 0 H LEU A 51 -3.231 0.970 2.378 1.00 0.17 H new ATOM 0 HA LEU A 51 -2.335 0.406 -0.395 1.00 0.17 H new ATOM 0 HB2 LEU A 51 -2.050 2.747 0.516 1.00 0.18 H new ATOM 0 HB3 LEU A 51 -0.983 2.083 1.737 1.00 0.18 H new ATOM 0 HG LEU A 51 -0.403 1.572 -1.168 1.00 0.20 H new ATOM 0 HD11 LEU A 51 0.952 3.652 -1.223 1.00 0.20 H new ATOM 0 HD12 LEU A 51 -0.779 4.000 -1.003 1.00 0.20 H new ATOM 0 HD13 LEU A 51 0.329 4.088 0.386 1.00 0.20 H new ATOM 0 HD21 LEU A 51 1.934 1.580 -0.364 1.00 0.22 H new ATOM 0 HD22 LEU A 51 1.360 1.947 1.280 1.00 0.22 H new ATOM 0 HD23 LEU A 51 0.936 0.397 0.514 1.00 0.22 H new ATOM 751 N VAL A 52 -1.023 -1.530 0.319 1.00 0.17 N ATOM 752 CA VAL A 52 -0.183 -2.665 0.665 1.00 0.20 C ATOM 753 C VAL A 52 1.065 -2.690 -0.205 1.00 0.22 C ATOM 754 O VAL A 52 1.029 -2.282 -1.365 1.00 0.30 O ATOM 755 CB VAL A 52 -0.936 -4.007 0.506 1.00 0.25 C ATOM 756 CG1 VAL A 52 -2.204 -4.013 1.344 1.00 1.25 C ATOM 757 CG2 VAL A 52 -1.260 -4.283 -0.957 1.00 1.46 C ATOM 0 H VAL A 52 -1.418 -1.569 -0.621 1.00 0.17 H new ATOM 0 HA VAL A 52 0.097 -2.547 1.712 1.00 0.20 H new ATOM 0 HB VAL A 52 -0.283 -4.803 0.863 1.00 0.25 H new ATOM 0 HG11 VAL A 52 -2.719 -4.965 1.218 1.00 1.25 H new ATOM 0 HG12 VAL A 52 -1.947 -3.876 2.394 1.00 1.25 H new ATOM 0 HG13 VAL A 52 -2.857 -3.202 1.021 1.00 1.25 H new ATOM 0 HG21 VAL A 52 -1.789 -5.232 -1.040 1.00 1.46 H new ATOM 0 HG22 VAL A 52 -1.888 -3.482 -1.348 1.00 1.46 H new ATOM 0 HG23 VAL A 52 -0.335 -4.332 -1.532 1.00 1.46 H new ATOM 767 N ILE A 53 2.167 -3.149 0.365 1.00 0.21 N ATOM 768 CA ILE A 53 3.397 -3.324 -0.386 1.00 0.23 C ATOM 769 C ILE A 53 3.753 -4.801 -0.458 1.00 0.19 C ATOM 770 O ILE A 53 3.988 -5.448 0.568 1.00 0.20 O ATOM 771 CB ILE A 53 4.566 -2.523 0.230 1.00 0.31 C ATOM 772 CG1 ILE A 53 4.293 -1.021 0.094 1.00 0.45 C ATOM 773 CG2 ILE A 53 5.890 -2.896 -0.436 1.00 0.30 C ATOM 774 CD1 ILE A 53 5.371 -0.143 0.688 1.00 0.51 C ATOM 0 H ILE A 53 2.234 -3.408 1.349 1.00 0.21 H new ATOM 0 HA ILE A 53 3.231 -2.939 -1.392 1.00 0.23 H new ATOM 0 HB ILE A 53 4.644 -2.772 1.288 1.00 0.31 H new ATOM 0 HG12 ILE A 53 4.181 -0.777 -0.962 1.00 0.45 H new ATOM 0 HG13 ILE A 53 3.344 -0.790 0.577 1.00 0.45 H new ATOM 0 HG21 ILE A 53 6.699 -2.320 0.014 1.00 0.30 H new ATOM 0 HG22 ILE A 53 6.081 -3.960 -0.296 1.00 0.30 H new ATOM 0 HG23 ILE A 53 5.836 -2.675 -1.502 1.00 0.30 H new ATOM 0 HD11 ILE A 53 5.103 0.905 0.551 1.00 0.51 H new ATOM 0 HD12 ILE A 53 5.469 -0.356 1.752 1.00 0.51 H new ATOM 0 HD13 ILE A 53 6.319 -0.343 0.189 1.00 0.51 H new ATOM 786 N ALA A 54 3.779 -5.326 -1.671 1.00 0.22 N ATOM 787 CA ALA A 54 4.031 -6.738 -1.890 1.00 0.27 C ATOM 788 C ALA A 54 4.815 -6.954 -3.177 1.00 0.31 C ATOM 789 O ALA A 54 5.031 -6.019 -3.949 1.00 0.30 O ATOM 790 CB ALA A 54 2.719 -7.507 -1.927 1.00 0.32 C ATOM 0 H ALA A 54 3.627 -4.790 -2.525 1.00 0.22 H new ATOM 0 HA ALA A 54 4.632 -7.113 -1.062 1.00 0.27 H new ATOM 0 HB1 ALA A 54 2.922 -8.565 -2.092 1.00 0.32 H new ATOM 0 HB2 ALA A 54 2.197 -7.381 -0.979 1.00 0.32 H new ATOM 0 HB3 ALA A 54 2.097 -7.126 -2.737 1.00 0.32 H new ATOM 796 N LYS A 55 5.229 -8.192 -3.397 1.00 0.43 N ATOM 797 CA LYS A 55 6.051 -8.545 -4.546 1.00 0.52 C ATOM 798 C LYS A 55 5.229 -8.463 -5.835 1.00 0.53 C ATOM 799 O LYS A 55 4.065 -8.860 -5.853 1.00 0.64 O ATOM 800 CB LYS A 55 6.605 -9.955 -4.338 1.00 0.69 C ATOM 801 CG LYS A 55 7.903 -10.243 -5.075 1.00 1.04 C ATOM 802 CD LYS A 55 8.481 -11.583 -4.646 1.00 1.03 C ATOM 803 CE LYS A 55 9.810 -11.881 -5.328 1.00 1.01 C ATOM 804 NZ LYS A 55 10.850 -10.877 -4.985 1.00 1.46 N1+ ATOM 0 H LYS A 55 5.006 -8.979 -2.787 1.00 0.43 H new ATOM 0 HA LYS A 55 6.880 -7.843 -4.639 1.00 0.52 H new ATOM 0 HB2 LYS A 55 6.766 -10.114 -3.272 1.00 0.69 H new ATOM 0 HB3 LYS A 55 5.854 -10.677 -4.658 1.00 0.69 H new ATOM 0 HG2 LYS A 55 7.723 -10.247 -6.150 1.00 1.04 H new ATOM 0 HG3 LYS A 55 8.624 -9.450 -4.875 1.00 1.04 H new ATOM 0 HD2 LYS A 55 8.620 -11.587 -3.565 1.00 1.03 H new ATOM 0 HD3 LYS A 55 7.769 -12.375 -4.879 1.00 1.03 H new ATOM 0 HE2 LYS A 55 10.153 -12.873 -5.035 1.00 1.01 H new ATOM 0 HE3 LYS A 55 9.667 -11.900 -6.408 1.00 1.01 H new ATOM 0 HZ1 LYS A 55 11.759 -11.163 -5.401 1.00 1.46 H new ATOM 0 HZ2 LYS A 55 10.574 -9.948 -5.362 1.00 1.46 H new ATOM 0 HZ3 LYS A 55 10.946 -10.816 -3.951 1.00 1.46 H new ATOM 818 N ALA A 56 5.842 -7.941 -6.899 1.00 0.49 N ATOM 819 CA ALA A 56 5.142 -7.651 -8.157 1.00 0.52 C ATOM 820 C ALA A 56 4.251 -8.802 -8.630 1.00 0.61 C ATOM 821 O ALA A 56 3.039 -8.632 -8.794 1.00 0.77 O ATOM 822 CB ALA A 56 6.149 -7.292 -9.240 1.00 0.53 C ATOM 0 H ALA A 56 6.835 -7.707 -6.916 1.00 0.49 H new ATOM 0 HA ALA A 56 4.483 -6.805 -7.962 1.00 0.52 H new ATOM 0 HB1 ALA A 56 5.622 -7.078 -10.170 1.00 0.53 H new ATOM 0 HB2 ALA A 56 6.715 -6.413 -8.933 1.00 0.53 H new ATOM 0 HB3 ALA A 56 6.832 -8.128 -9.393 1.00 0.53 H new ATOM 828 N GLU A 57 4.843 -9.974 -8.824 1.00 0.65 N ATOM 829 CA GLU A 57 4.118 -11.112 -9.379 1.00 0.79 C ATOM 830 C GLU A 57 3.375 -11.891 -8.301 1.00 0.71 C ATOM 831 O GLU A 57 2.716 -12.891 -8.591 1.00 0.77 O ATOM 832 CB GLU A 57 5.068 -12.047 -10.128 1.00 1.01 C ATOM 833 CG GLU A 57 5.732 -11.405 -11.334 1.00 1.69 C ATOM 834 CD GLU A 57 6.463 -12.407 -12.197 1.00 2.26 C ATOM 835 OE1 GLU A 57 7.644 -12.695 -11.923 1.00 2.89 O ATOM 836 OE2 GLU A 57 5.861 -12.905 -13.169 1.00 2.58 O1- ATOM 0 H GLU A 57 5.822 -10.162 -8.606 1.00 0.65 H new ATOM 0 HA GLU A 57 3.382 -10.712 -10.077 1.00 0.79 H new ATOM 0 HB2 GLU A 57 5.840 -12.393 -9.441 1.00 1.01 H new ATOM 0 HB3 GLU A 57 4.514 -12.927 -10.455 1.00 1.01 H new ATOM 0 HG2 GLU A 57 4.976 -10.898 -11.933 1.00 1.69 H new ATOM 0 HG3 GLU A 57 6.434 -10.643 -10.995 1.00 1.69 H new ATOM 843 N ASP A 58 3.470 -11.433 -7.064 1.00 0.66 N ATOM 844 CA ASP A 58 2.800 -12.106 -5.959 1.00 0.71 C ATOM 845 C ASP A 58 1.515 -11.370 -5.600 1.00 0.65 C ATOM 846 O ASP A 58 0.707 -11.854 -4.806 1.00 0.65 O ATOM 847 CB ASP A 58 3.724 -12.191 -4.743 1.00 0.88 C ATOM 848 CG ASP A 58 3.258 -13.218 -3.731 1.00 1.36 C ATOM 849 OD1 ASP A 58 2.956 -14.357 -4.136 1.00 1.46 O ATOM 850 OD2 ASP A 58 3.230 -12.909 -2.522 1.00 2.15 O1- ATOM 0 H ASP A 58 4.001 -10.603 -6.798 1.00 0.66 H new ATOM 0 HA ASP A 58 2.548 -13.120 -6.269 1.00 0.71 H new ATOM 0 HB2 ASP A 58 4.732 -12.442 -5.073 1.00 0.88 H new ATOM 0 HB3 ASP A 58 3.780 -11.213 -4.264 1.00 0.88 H new ATOM 855 N MET A 59 1.329 -10.203 -6.216 1.00 0.64 N ATOM 856 CA MET A 59 0.145 -9.376 -5.985 1.00 0.64 C ATOM 857 C MET A 59 -1.145 -10.154 -6.210 1.00 0.60 C ATOM 858 O MET A 59 -2.131 -9.939 -5.506 1.00 0.57 O ATOM 859 CB MET A 59 0.159 -8.133 -6.879 1.00 0.78 C ATOM 860 CG MET A 59 0.854 -6.941 -6.249 1.00 0.58 C ATOM 861 SD MET A 59 0.056 -6.419 -4.719 1.00 0.65 S ATOM 862 CE MET A 59 1.013 -4.966 -4.312 1.00 0.35 C ATOM 0 H MET A 59 1.989 -9.806 -6.884 1.00 0.64 H new ATOM 0 HA MET A 59 0.178 -9.066 -4.941 1.00 0.64 H new ATOM 0 HB2 MET A 59 0.654 -8.377 -7.819 1.00 0.78 H new ATOM 0 HB3 MET A 59 -0.868 -7.858 -7.122 1.00 0.78 H new ATOM 0 HG2 MET A 59 1.894 -7.195 -6.046 1.00 0.58 H new ATOM 0 HG3 MET A 59 0.860 -6.111 -6.955 1.00 0.58 H new ATOM 0 HE1 MET A 59 1.160 -4.918 -3.233 1.00 0.35 H new ATOM 0 HE2 MET A 59 1.982 -5.018 -4.809 1.00 0.35 H new ATOM 0 HE3 MET A 59 0.481 -4.075 -4.646 1.00 0.35 H new ATOM 872 N ASP A 60 -1.135 -11.060 -7.183 1.00 0.65 N ATOM 873 CA ASP A 60 -2.301 -11.890 -7.468 1.00 0.72 C ATOM 874 C ASP A 60 -2.743 -12.650 -6.222 1.00 0.67 C ATOM 875 O ASP A 60 -3.931 -12.692 -5.894 1.00 0.70 O ATOM 876 CB ASP A 60 -2.003 -12.884 -8.594 1.00 0.87 C ATOM 877 CG ASP A 60 -3.199 -13.763 -8.909 1.00 1.41 C ATOM 878 OD1 ASP A 60 -4.072 -13.324 -9.686 1.00 1.42 O1- ATOM 879 OD2 ASP A 60 -3.276 -14.892 -8.375 1.00 2.27 O ATOM 0 H ASP A 60 -0.333 -11.238 -7.787 1.00 0.65 H new ATOM 0 HA ASP A 60 -3.106 -11.228 -7.785 1.00 0.72 H new ATOM 0 HB2 ASP A 60 -1.708 -12.338 -9.490 1.00 0.87 H new ATOM 0 HB3 ASP A 60 -1.158 -13.511 -8.310 1.00 0.87 H new ATOM 884 N GLY A 61 -1.776 -13.226 -5.517 1.00 0.65 N ATOM 885 CA GLY A 61 -2.075 -13.963 -4.307 1.00 0.66 C ATOM 886 C GLY A 61 -2.462 -13.038 -3.175 1.00 0.59 C ATOM 887 O GLY A 61 -3.263 -13.396 -2.309 1.00 0.63 O ATOM 0 H GLY A 61 -0.787 -13.194 -5.764 1.00 0.65 H new ATOM 0 HA2 GLY A 61 -2.887 -14.665 -4.499 1.00 0.66 H new ATOM 0 HA3 GLY A 61 -1.206 -14.553 -4.015 1.00 0.66 H new ATOM 891 N VAL A 62 -1.895 -11.841 -3.190 1.00 0.52 N ATOM 892 CA VAL A 62 -2.191 -10.840 -2.178 1.00 0.48 C ATOM 893 C VAL A 62 -3.630 -10.353 -2.312 1.00 0.45 C ATOM 894 O VAL A 62 -4.358 -10.277 -1.325 1.00 0.46 O ATOM 895 CB VAL A 62 -1.217 -9.641 -2.265 1.00 0.48 C ATOM 896 CG1 VAL A 62 -1.561 -8.585 -1.226 1.00 0.46 C ATOM 897 CG2 VAL A 62 0.223 -10.105 -2.083 1.00 0.55 C ATOM 0 H VAL A 62 -1.224 -11.539 -3.896 1.00 0.52 H new ATOM 0 HA VAL A 62 -2.063 -11.311 -1.203 1.00 0.48 H new ATOM 0 HB VAL A 62 -1.320 -9.197 -3.255 1.00 0.48 H new ATOM 0 HG11 VAL A 62 -0.862 -7.753 -1.308 1.00 0.46 H new ATOM 0 HG12 VAL A 62 -2.576 -8.225 -1.396 1.00 0.46 H new ATOM 0 HG13 VAL A 62 -1.492 -9.020 -0.229 1.00 0.46 H new ATOM 0 HG21 VAL A 62 0.893 -9.247 -2.147 1.00 0.55 H new ATOM 0 HG22 VAL A 62 0.332 -10.578 -1.107 1.00 0.55 H new ATOM 0 HG23 VAL A 62 0.476 -10.822 -2.864 1.00 0.55 H new ATOM 907 N PHE A 63 -4.046 -10.044 -3.538 1.00 0.45 N ATOM 908 CA PHE A 63 -5.423 -9.624 -3.791 1.00 0.45 C ATOM 909 C PHE A 63 -6.394 -10.763 -3.512 1.00 0.49 C ATOM 910 O PHE A 63 -7.457 -10.550 -2.931 1.00 0.53 O ATOM 911 CB PHE A 63 -5.609 -9.143 -5.236 1.00 0.47 C ATOM 912 CG PHE A 63 -4.877 -7.871 -5.563 1.00 0.39 C ATOM 913 CD1 PHE A 63 -5.062 -6.733 -4.795 1.00 0.31 C ATOM 914 CD2 PHE A 63 -4.017 -7.810 -6.650 1.00 0.48 C ATOM 915 CE1 PHE A 63 -4.403 -5.560 -5.101 1.00 0.30 C ATOM 916 CE2 PHE A 63 -3.354 -6.640 -6.959 1.00 0.46 C ATOM 917 CZ PHE A 63 -3.547 -5.514 -6.185 1.00 0.35 C ATOM 0 H PHE A 63 -3.454 -10.076 -4.368 1.00 0.45 H new ATOM 0 HA PHE A 63 -5.634 -8.793 -3.117 1.00 0.45 H new ATOM 0 HB2 PHE A 63 -5.272 -9.927 -5.914 1.00 0.47 H new ATOM 0 HB3 PHE A 63 -6.673 -8.995 -5.423 1.00 0.47 H new ATOM 0 HD1 PHE A 63 -5.730 -6.764 -3.947 1.00 0.31 H new ATOM 0 HD2 PHE A 63 -3.865 -8.688 -7.261 1.00 0.48 H new ATOM 0 HE1 PHE A 63 -4.556 -4.680 -4.495 1.00 0.30 H new ATOM 0 HE2 PHE A 63 -2.685 -6.606 -7.806 1.00 0.46 H new ATOM 0 HZ PHE A 63 -3.029 -4.597 -6.426 1.00 0.35 H new ATOM 927 N LYS A 64 -6.017 -11.974 -3.914 1.00 0.51 N ATOM 928 CA LYS A 64 -6.870 -13.145 -3.741 1.00 0.57 C ATOM 929 C LYS A 64 -7.210 -13.356 -2.270 1.00 0.57 C ATOM 930 O LYS A 64 -8.381 -13.419 -1.892 1.00 0.61 O ATOM 931 CB LYS A 64 -6.178 -14.391 -4.303 1.00 0.67 C ATOM 932 CG LYS A 64 -6.994 -15.666 -4.157 1.00 1.35 C ATOM 933 CD LYS A 64 -6.300 -16.861 -4.798 1.00 1.76 C ATOM 934 CE LYS A 64 -5.028 -17.256 -4.060 1.00 2.16 C ATOM 935 NZ LYS A 64 -5.303 -17.700 -2.667 1.00 3.03 N1+ ATOM 0 H LYS A 64 -5.123 -12.170 -4.364 1.00 0.51 H new ATOM 0 HA LYS A 64 -7.797 -12.975 -4.288 1.00 0.57 H new ATOM 0 HB2 LYS A 64 -5.960 -14.229 -5.359 1.00 0.67 H new ATOM 0 HB3 LYS A 64 -5.222 -14.523 -3.797 1.00 0.67 H new ATOM 0 HG2 LYS A 64 -7.164 -15.869 -3.100 1.00 1.35 H new ATOM 0 HG3 LYS A 64 -7.973 -15.525 -4.616 1.00 1.35 H new ATOM 0 HD2 LYS A 64 -6.985 -17.709 -4.816 1.00 1.76 H new ATOM 0 HD3 LYS A 64 -6.058 -16.625 -5.834 1.00 1.76 H new ATOM 0 HE2 LYS A 64 -4.529 -18.058 -4.604 1.00 2.16 H new ATOM 0 HE3 LYS A 64 -4.343 -16.409 -4.041 1.00 2.16 H new ATOM 0 HZ1 LYS A 64 -4.590 -18.400 -2.378 1.00 3.03 H new ATOM 0 HZ2 LYS A 64 -5.263 -16.881 -2.027 1.00 3.03 H new ATOM 0 HZ3 LYS A 64 -6.249 -18.130 -2.620 1.00 3.03 H new ATOM 949 N ASP A 65 -6.182 -13.445 -1.439 1.00 0.58 N ATOM 950 CA ASP A 65 -6.377 -13.671 -0.013 1.00 0.62 C ATOM 951 C ASP A 65 -6.810 -12.391 0.688 1.00 0.54 C ATOM 952 O ASP A 65 -7.296 -12.429 1.817 1.00 0.59 O ATOM 953 CB ASP A 65 -5.101 -14.214 0.633 1.00 0.74 C ATOM 954 CG ASP A 65 -4.846 -15.673 0.301 1.00 1.35 C ATOM 955 OD1 ASP A 65 -4.449 -15.970 -0.845 1.00 2.28 O1- ATOM 956 OD2 ASP A 65 -5.060 -16.537 1.178 1.00 1.26 O ATOM 0 H ASP A 65 -5.206 -13.365 -1.726 1.00 0.58 H new ATOM 0 HA ASP A 65 -7.168 -14.413 0.098 1.00 0.62 H new ATOM 0 HB2 ASP A 65 -4.250 -13.617 0.303 1.00 0.74 H new ATOM 0 HB3 ASP A 65 -5.170 -14.099 1.715 1.00 0.74 H new ATOM 961 N GLY A 66 -6.633 -11.265 0.009 1.00 0.50 N ATOM 962 CA GLY A 66 -7.030 -9.986 0.563 1.00 0.47 C ATOM 963 C GLY A 66 -8.526 -9.774 0.480 1.00 0.43 C ATOM 964 O GLY A 66 -9.164 -9.403 1.465 1.00 0.40 O ATOM 0 H GLY A 66 -6.219 -11.215 -0.922 1.00 0.50 H new ATOM 0 HA2 GLY A 66 -6.712 -9.927 1.604 1.00 0.47 H new ATOM 0 HA3 GLY A 66 -6.520 -9.185 0.028 1.00 0.47 H new ATOM 968 N VAL A 67 -9.092 -10.027 -0.696 1.00 0.49 N ATOM 969 CA VAL A 67 -10.533 -9.931 -0.891 1.00 0.52 C ATOM 970 C VAL A 67 -11.244 -10.955 -0.014 1.00 0.52 C ATOM 971 O VAL A 67 -12.345 -10.717 0.483 1.00 0.59 O ATOM 972 CB VAL A 67 -10.919 -10.142 -2.375 1.00 0.66 C ATOM 973 CG1 VAL A 67 -12.431 -10.156 -2.555 1.00 1.04 C ATOM 974 CG2 VAL A 67 -10.297 -9.059 -3.245 1.00 0.92 C ATOM 0 H VAL A 67 -8.572 -10.301 -1.530 1.00 0.49 H new ATOM 0 HA VAL A 67 -10.847 -8.927 -0.604 1.00 0.52 H new ATOM 0 HB VAL A 67 -10.532 -11.112 -2.686 1.00 0.66 H new ATOM 0 HG11 VAL A 67 -12.671 -10.306 -3.608 1.00 1.04 H new ATOM 0 HG12 VAL A 67 -12.860 -10.967 -1.966 1.00 1.04 H new ATOM 0 HG13 VAL A 67 -12.846 -9.205 -2.220 1.00 1.04 H new ATOM 0 HG21 VAL A 67 -10.578 -9.222 -4.285 1.00 0.92 H new ATOM 0 HG22 VAL A 67 -10.655 -8.082 -2.921 1.00 0.92 H new ATOM 0 HG23 VAL A 67 -9.212 -9.097 -3.152 1.00 0.92 H new ATOM 984 N GLY A 68 -10.582 -12.083 0.203 1.00 0.50 N ATOM 985 CA GLY A 68 -11.117 -13.106 1.078 1.00 0.53 C ATOM 986 C GLY A 68 -10.795 -12.839 2.540 1.00 0.43 C ATOM 987 O GLY A 68 -10.885 -13.738 3.377 1.00 0.51 O ATOM 0 H GLY A 68 -9.679 -12.308 -0.214 1.00 0.50 H new ATOM 0 HA2 GLY A 68 -12.198 -13.162 0.950 1.00 0.53 H new ATOM 0 HA3 GLY A 68 -10.712 -14.076 0.790 1.00 0.53 H new ATOM 991 N ALA A 69 -10.402 -11.609 2.844 1.00 0.38 N ATOM 992 CA ALA A 69 -10.104 -11.208 4.210 1.00 0.32 C ATOM 993 C ALA A 69 -10.768 -9.873 4.522 1.00 0.29 C ATOM 994 O ALA A 69 -10.165 -8.986 5.133 1.00 0.31 O ATOM 995 CB ALA A 69 -8.602 -11.124 4.428 1.00 0.35 C ATOM 0 H ALA A 69 -10.282 -10.867 2.155 1.00 0.38 H new ATOM 0 HA ALA A 69 -10.503 -11.962 4.889 1.00 0.32 H new ATOM 0 HB1 ALA A 69 -8.400 -10.823 5.456 1.00 0.35 H new ATOM 0 HB2 ALA A 69 -8.152 -12.099 4.241 1.00 0.35 H new ATOM 0 HB3 ALA A 69 -8.176 -10.390 3.744 1.00 0.35 H new ATOM 1001 N ALA A 70 -12.017 -9.741 4.096 1.00 0.33 N ATOM 1002 CA ALA A 70 -12.780 -8.512 4.280 1.00 0.41 C ATOM 1003 C ALA A 70 -12.922 -8.156 5.756 1.00 0.50 C ATOM 1004 O ALA A 70 -12.979 -6.981 6.115 1.00 0.62 O ATOM 1005 CB ALA A 70 -14.154 -8.648 3.643 1.00 0.52 C ATOM 0 H ALA A 70 -12.529 -10.480 3.614 1.00 0.33 H new ATOM 0 HA ALA A 70 -12.233 -7.705 3.792 1.00 0.41 H new ATOM 0 HB1 ALA A 70 -14.715 -7.724 3.787 1.00 0.52 H new ATOM 0 HB2 ALA A 70 -14.043 -8.843 2.576 1.00 0.52 H new ATOM 0 HB3 ALA A 70 -14.691 -9.474 4.109 1.00 0.52 H new ATOM 1011 N ASP A 71 -12.957 -9.173 6.604 1.00 0.53 N ATOM 1012 CA ASP A 71 -13.161 -8.973 8.036 1.00 0.70 C ATOM 1013 C ASP A 71 -11.914 -8.392 8.705 1.00 0.64 C ATOM 1014 O ASP A 71 -11.963 -7.933 9.846 1.00 0.84 O ATOM 1015 CB ASP A 71 -13.553 -10.296 8.702 1.00 0.91 C ATOM 1016 CG ASP A 71 -13.895 -10.135 10.170 1.00 1.72 C ATOM 1017 OD1 ASP A 71 -14.945 -9.535 10.481 1.00 2.44 O ATOM 1018 OD2 ASP A 71 -13.118 -10.613 11.022 1.00 2.17 O1- ATOM 0 H ASP A 71 -12.847 -10.148 6.327 1.00 0.53 H new ATOM 0 HA ASP A 71 -13.971 -8.254 8.162 1.00 0.70 H new ATOM 0 HB2 ASP A 71 -14.409 -10.721 8.179 1.00 0.91 H new ATOM 0 HB3 ASP A 71 -12.732 -11.006 8.600 1.00 0.91 H new ATOM 1023 N THR A 72 -10.801 -8.391 7.985 1.00 0.48 N ATOM 1024 CA THR A 72 -9.548 -7.903 8.538 1.00 0.53 C ATOM 1025 C THR A 72 -8.814 -6.991 7.547 1.00 0.65 C ATOM 1026 O THR A 72 -7.701 -7.281 7.109 1.00 1.42 O ATOM 1027 CB THR A 72 -8.644 -9.078 8.993 1.00 0.64 C ATOM 1028 OG1 THR A 72 -7.351 -8.600 9.391 1.00 1.26 O ATOM 1029 CG2 THR A 72 -8.493 -10.122 7.898 1.00 1.46 C ATOM 0 H THR A 72 -10.741 -8.721 7.022 1.00 0.48 H new ATOM 0 HA THR A 72 -9.788 -7.305 9.417 1.00 0.53 H new ATOM 0 HB THR A 72 -9.129 -9.548 9.849 1.00 0.64 H new ATOM 0 HG1 THR A 72 -6.929 -8.135 8.639 1.00 1.26 H new ATOM 0 HG21 THR A 72 -7.853 -10.930 8.252 1.00 1.46 H new ATOM 0 HG22 THR A 72 -9.473 -10.522 7.639 1.00 1.46 H new ATOM 0 HG23 THR A 72 -8.044 -9.663 7.017 1.00 1.46 H new ATOM 1037 N ASP A 73 -9.476 -5.892 7.184 1.00 0.59 N ATOM 1038 CA ASP A 73 -8.859 -4.809 6.405 1.00 0.55 C ATOM 1039 C ASP A 73 -8.388 -5.263 5.027 1.00 0.43 C ATOM 1040 O ASP A 73 -7.535 -4.614 4.419 1.00 0.47 O ATOM 1041 CB ASP A 73 -7.676 -4.200 7.164 1.00 0.69 C ATOM 1042 CG ASP A 73 -8.096 -3.449 8.407 1.00 1.25 C ATOM 1043 OD1 ASP A 73 -8.500 -2.279 8.289 1.00 1.66 O ATOM 1044 OD2 ASP A 73 -8.016 -4.022 9.515 1.00 1.50 O1- ATOM 0 H ASP A 73 -10.454 -5.724 7.420 1.00 0.59 H new ATOM 0 HA ASP A 73 -9.637 -4.059 6.261 1.00 0.55 H new ATOM 0 HB2 ASP A 73 -6.983 -4.994 7.442 1.00 0.69 H new ATOM 0 HB3 ASP A 73 -7.136 -3.523 6.502 1.00 0.69 H new ATOM 1049 N TYR A 74 -8.941 -6.371 4.542 1.00 0.33 N ATOM 1050 CA TYR A 74 -8.583 -6.914 3.232 1.00 0.28 C ATOM 1051 C TYR A 74 -7.101 -7.276 3.169 1.00 0.35 C ATOM 1052 O TYR A 74 -6.458 -7.141 2.125 1.00 0.37 O ATOM 1053 CB TYR A 74 -8.938 -5.933 2.106 1.00 0.32 C ATOM 1054 CG TYR A 74 -10.421 -5.706 1.936 1.00 0.36 C ATOM 1055 CD1 TYR A 74 -11.242 -6.706 1.436 1.00 0.41 C ATOM 1056 CD2 TYR A 74 -10.999 -4.491 2.275 1.00 0.44 C ATOM 1057 CE1 TYR A 74 -12.598 -6.504 1.281 1.00 0.50 C ATOM 1058 CE2 TYR A 74 -12.356 -4.281 2.120 1.00 0.54 C ATOM 1059 CZ TYR A 74 -13.150 -5.288 1.624 1.00 0.57 C ATOM 1060 OH TYR A 74 -14.504 -5.091 1.468 1.00 0.68 O ATOM 0 H TYR A 74 -9.645 -6.916 5.040 1.00 0.33 H new ATOM 0 HA TYR A 74 -9.165 -7.824 3.090 1.00 0.28 H new ATOM 0 HB2 TYR A 74 -8.455 -4.977 2.305 1.00 0.32 H new ATOM 0 HB3 TYR A 74 -8.528 -6.308 1.168 1.00 0.32 H new ATOM 0 HD1 TYR A 74 -10.813 -7.659 1.163 1.00 0.41 H new ATOM 0 HD2 TYR A 74 -10.379 -3.698 2.666 1.00 0.44 H new ATOM 0 HE1 TYR A 74 -13.224 -7.294 0.893 1.00 0.50 H new ATOM 0 HE2 TYR A 74 -12.791 -3.329 2.387 1.00 0.54 H new ATOM 0 HH TYR A 74 -14.738 -4.184 1.755 1.00 0.68 H new ATOM 1070 N VAL A 75 -6.560 -7.713 4.298 1.00 0.45 N ATOM 1071 CA VAL A 75 -5.195 -8.210 4.359 1.00 0.57 C ATOM 1072 C VAL A 75 -5.179 -9.545 5.085 1.00 0.62 C ATOM 1073 O VAL A 75 -5.920 -9.741 6.048 1.00 0.66 O ATOM 1074 CB VAL A 75 -4.225 -7.227 5.070 1.00 0.72 C ATOM 1075 CG1 VAL A 75 -4.166 -5.895 4.339 1.00 1.12 C ATOM 1076 CG2 VAL A 75 -4.615 -7.022 6.527 1.00 1.38 C ATOM 0 H VAL A 75 -7.052 -7.733 5.191 1.00 0.45 H new ATOM 0 HA VAL A 75 -4.846 -8.321 3.332 1.00 0.57 H new ATOM 0 HB VAL A 75 -3.231 -7.673 5.048 1.00 0.72 H new ATOM 0 HG11 VAL A 75 -3.480 -5.225 4.858 1.00 1.12 H new ATOM 0 HG12 VAL A 75 -3.816 -6.055 3.319 1.00 1.12 H new ATOM 0 HG13 VAL A 75 -5.160 -5.449 4.315 1.00 1.12 H new ATOM 0 HG21 VAL A 75 -3.917 -6.329 6.997 1.00 1.38 H new ATOM 0 HG22 VAL A 75 -5.624 -6.612 6.579 1.00 1.38 H new ATOM 0 HG23 VAL A 75 -4.584 -7.978 7.050 1.00 1.38 H new ATOM 1156 N ARG A 81 3.823 -12.559 2.748 1.00 0.61 N ATOM 1157 CA ARG A 81 3.709 -12.136 1.354 1.00 0.73 C ATOM 1158 C ARG A 81 3.504 -10.628 1.280 1.00 0.72 C ATOM 1159 O ARG A 81 3.400 -10.051 0.199 1.00 0.96 O ATOM 1160 CB ARG A 81 2.551 -12.861 0.658 1.00 0.87 C ATOM 1161 CG ARG A 81 1.183 -12.544 1.242 1.00 1.31 C ATOM 1162 CD ARG A 81 0.072 -13.266 0.493 1.00 1.36 C ATOM 1163 NE ARG A 81 0.219 -14.718 0.558 1.00 1.55 N ATOM 1164 CZ ARG A 81 -0.668 -15.577 0.059 1.00 1.73 C ATOM 1165 NH1 ARG A 81 -1.760 -15.133 -0.550 1.00 1.75 N1+ ATOM 1166 NH2 ARG A 81 -0.455 -16.882 0.161 1.00 2.33 N ATOM 0 HA ARG A 81 4.634 -12.395 0.839 1.00 0.73 H new ATOM 0 HB2 ARG A 81 2.553 -12.597 -0.399 1.00 0.87 H new ATOM 0 HB3 ARG A 81 2.720 -13.936 0.718 1.00 0.87 H new ATOM 0 HG2 ARG A 81 1.160 -12.832 2.293 1.00 1.31 H new ATOM 0 HG3 ARG A 81 1.010 -11.469 1.202 1.00 1.31 H new ATOM 0 HD2 ARG A 81 -0.893 -12.981 0.913 1.00 1.36 H new ATOM 0 HD3 ARG A 81 0.072 -12.948 -0.550 1.00 1.36 H new ATOM 0 HE ARG A 81 1.050 -15.096 1.012 1.00 1.55 H new ATOM 0 HH11 ARG A 81 -1.923 -14.130 -0.638 1.00 1.75 H new ATOM 0 HH12 ARG A 81 -2.436 -15.795 -0.931 1.00 1.75 H new ATOM 0 HH21 ARG A 81 0.387 -17.227 0.621 1.00 2.33 H new ATOM 0 HH22 ARG A 81 -1.134 -17.541 -0.221 1.00 2.33 H new ATOM 1180 N VAL A 82 3.451 -9.997 2.444 1.00 0.60 N ATOM 1181 CA VAL A 82 3.240 -8.566 2.533 1.00 0.62 C ATOM 1182 C VAL A 82 4.330 -7.940 3.389 1.00 0.58 C ATOM 1183 O VAL A 82 4.522 -8.326 4.541 1.00 0.74 O ATOM 1184 CB VAL A 82 1.862 -8.233 3.150 1.00 0.69 C ATOM 1185 CG1 VAL A 82 1.592 -6.738 3.091 1.00 0.77 C ATOM 1186 CG2 VAL A 82 0.747 -9.001 2.455 1.00 0.78 C ATOM 0 H VAL A 82 3.553 -10.462 3.346 1.00 0.60 H new ATOM 0 HA VAL A 82 3.272 -8.161 1.521 1.00 0.62 H new ATOM 0 HB VAL A 82 1.884 -8.541 4.195 1.00 0.69 H new ATOM 0 HG11 VAL A 82 0.617 -6.527 3.531 1.00 0.77 H new ATOM 0 HG12 VAL A 82 2.364 -6.207 3.648 1.00 0.77 H new ATOM 0 HG13 VAL A 82 1.601 -6.407 2.052 1.00 0.77 H new ATOM 0 HG21 VAL A 82 -0.210 -8.746 2.911 1.00 0.78 H new ATOM 0 HG22 VAL A 82 0.727 -8.736 1.398 1.00 0.78 H new ATOM 0 HG23 VAL A 82 0.924 -10.072 2.558 1.00 0.78 H new ATOM 1196 N VAL A 83 5.044 -6.982 2.819 1.00 0.42 N ATOM 1197 CA VAL A 83 6.121 -6.307 3.528 1.00 0.42 C ATOM 1198 C VAL A 83 5.549 -5.317 4.535 1.00 0.38 C ATOM 1199 O VAL A 83 6.013 -5.227 5.676 1.00 0.43 O ATOM 1200 CB VAL A 83 7.058 -5.567 2.548 1.00 0.47 C ATOM 1201 CG1 VAL A 83 8.123 -4.781 3.296 1.00 0.65 C ATOM 1202 CG2 VAL A 83 7.703 -6.552 1.587 1.00 0.91 C ATOM 0 H VAL A 83 4.897 -6.653 1.865 1.00 0.42 H new ATOM 0 HA VAL A 83 6.701 -7.066 4.053 1.00 0.42 H new ATOM 0 HB VAL A 83 6.458 -4.860 1.976 1.00 0.47 H new ATOM 0 HG11 VAL A 83 8.768 -4.270 2.581 1.00 0.65 H new ATOM 0 HG12 VAL A 83 7.645 -4.045 3.943 1.00 0.65 H new ATOM 0 HG13 VAL A 83 8.721 -5.463 3.901 1.00 0.65 H new ATOM 0 HG21 VAL A 83 8.360 -6.015 0.903 1.00 0.91 H new ATOM 0 HG22 VAL A 83 8.284 -7.283 2.150 1.00 0.91 H new ATOM 0 HG23 VAL A 83 6.928 -7.065 1.018 1.00 0.91 H new ATOM 1212 N ALA A 84 4.529 -4.591 4.106 1.00 0.35 N ATOM 1213 CA ALA A 84 3.870 -3.607 4.948 1.00 0.34 C ATOM 1214 C ALA A 84 2.478 -3.315 4.411 1.00 0.31 C ATOM 1215 O ALA A 84 2.232 -3.446 3.211 1.00 0.31 O ATOM 1216 CB ALA A 84 4.692 -2.331 5.017 1.00 0.36 C ATOM 0 H ALA A 84 4.136 -4.667 3.168 1.00 0.35 H new ATOM 0 HA ALA A 84 3.780 -4.010 5.957 1.00 0.34 H new ATOM 0 HB1 ALA A 84 4.184 -1.605 5.652 1.00 0.36 H new ATOM 0 HB2 ALA A 84 5.674 -2.553 5.434 1.00 0.36 H new ATOM 0 HB3 ALA A 84 4.808 -1.918 4.015 1.00 0.36 H new ATOM 1222 N HIS A 85 1.568 -2.935 5.296 1.00 0.30 N ATOM 1223 CA HIS A 85 0.192 -2.654 4.903 1.00 0.28 C ATOM 1224 C HIS A 85 -0.471 -1.694 5.877 1.00 0.28 C ATOM 1225 O HIS A 85 -0.267 -1.781 7.087 1.00 0.36 O ATOM 1226 CB HIS A 85 -0.632 -3.951 4.818 1.00 0.31 C ATOM 1227 CG HIS A 85 -0.585 -4.808 6.054 1.00 0.78 C ATOM 1228 ND1 HIS A 85 -1.571 -4.802 7.021 1.00 0.86 N ATOM 1229 CD2 HIS A 85 0.328 -5.724 6.462 1.00 1.53 C ATOM 1230 CE1 HIS A 85 -1.264 -5.674 7.966 1.00 1.53 C ATOM 1231 NE2 HIS A 85 -0.119 -6.245 7.646 1.00 1.96 N ATOM 0 H HIS A 85 1.756 -2.814 6.291 1.00 0.30 H new ATOM 0 HA HIS A 85 0.224 -2.189 3.918 1.00 0.28 H new ATOM 0 HB2 HIS A 85 -1.670 -3.693 4.611 1.00 0.31 H new ATOM 0 HB3 HIS A 85 -0.275 -4.538 3.972 1.00 0.31 H new ATOM 0 HD2 HIS A 85 1.239 -5.993 5.948 1.00 1.53 H new ATOM 0 HE1 HIS A 85 -1.850 -5.883 8.849 1.00 1.53 H new ATOM 0 HE2 HIS A 85 0.358 -6.961 8.194 1.00 1.96 H new ATOM 1240 N THR A 86 -1.257 -0.779 5.335 1.00 0.25 N ATOM 1241 CA THR A 86 -2.067 0.110 6.146 1.00 0.27 C ATOM 1242 C THR A 86 -3.362 -0.596 6.534 1.00 0.31 C ATOM 1243 O THR A 86 -3.567 -1.761 6.184 1.00 0.50 O ATOM 1244 CB THR A 86 -2.397 1.408 5.377 1.00 0.24 C ATOM 1245 OG1 THR A 86 -2.945 1.088 4.094 1.00 0.27 O ATOM 1246 CG2 THR A 86 -1.158 2.271 5.197 1.00 0.29 C ATOM 0 H THR A 86 -1.350 -0.633 4.330 1.00 0.25 H new ATOM 0 HA THR A 86 -1.504 0.373 7.042 1.00 0.27 H new ATOM 0 HB THR A 86 -3.127 1.969 5.961 1.00 0.24 H new ATOM 0 HG1 THR A 86 -3.186 0.138 4.069 1.00 0.27 H new ATOM 0 HG21 THR A 86 -1.422 3.177 4.652 1.00 0.29 H new ATOM 0 HG22 THR A 86 -0.756 2.539 6.174 1.00 0.29 H new ATOM 0 HG23 THR A 86 -0.407 1.716 4.635 1.00 0.29 H new ATOM 1254 N LYS A 87 -4.221 0.087 7.265 1.00 0.29 N ATOM 1255 CA LYS A 87 -5.533 -0.448 7.582 1.00 0.32 C ATOM 1256 C LYS A 87 -6.591 0.255 6.743 1.00 0.29 C ATOM 1257 O LYS A 87 -6.383 1.383 6.296 1.00 0.35 O ATOM 1258 CB LYS A 87 -5.822 -0.306 9.077 1.00 0.40 C ATOM 1259 CG LYS A 87 -4.909 -1.170 9.937 1.00 1.07 C ATOM 1260 CD LYS A 87 -5.165 -0.971 11.420 1.00 1.29 C ATOM 1261 CE LYS A 87 -4.738 0.411 11.884 1.00 1.83 C ATOM 1262 NZ LYS A 87 -3.283 0.642 11.688 1.00 2.85 N1+ ATOM 0 H LYS A 87 -4.035 1.013 7.651 1.00 0.29 H new ATOM 0 HA LYS A 87 -5.556 -1.511 7.342 1.00 0.32 H new ATOM 0 HB2 LYS A 87 -5.707 0.738 9.368 1.00 0.40 H new ATOM 0 HB3 LYS A 87 -6.860 -0.578 9.270 1.00 0.40 H new ATOM 0 HG2 LYS A 87 -5.057 -2.219 9.682 1.00 1.07 H new ATOM 0 HG3 LYS A 87 -3.869 -0.932 9.714 1.00 1.07 H new ATOM 0 HD2 LYS A 87 -6.225 -1.113 11.628 1.00 1.29 H new ATOM 0 HD3 LYS A 87 -4.624 -1.728 11.987 1.00 1.29 H new ATOM 0 HE2 LYS A 87 -5.301 1.167 11.337 1.00 1.83 H new ATOM 0 HE3 LYS A 87 -4.985 0.531 12.939 1.00 1.83 H new ATOM 0 HZ1 LYS A 87 -2.980 1.453 12.264 1.00 2.85 H new ATOM 0 HZ2 LYS A 87 -2.755 -0.205 11.978 1.00 2.85 H new ATOM 0 HZ3 LYS A 87 -3.095 0.840 10.684 1.00 2.85 H new ATOM 1276 N LEU A 88 -7.713 -0.421 6.529 1.00 0.30 N ATOM 1277 CA LEU A 88 -8.751 0.064 5.630 1.00 0.37 C ATOM 1278 C LEU A 88 -9.386 1.332 6.175 1.00 0.36 C ATOM 1279 O LEU A 88 -10.032 1.319 7.226 1.00 0.50 O ATOM 1280 CB LEU A 88 -9.821 -1.009 5.423 1.00 0.52 C ATOM 1281 CG LEU A 88 -10.906 -0.650 4.407 1.00 0.56 C ATOM 1282 CD1 LEU A 88 -10.316 -0.572 3.006 1.00 1.24 C ATOM 1283 CD2 LEU A 88 -12.049 -1.656 4.457 1.00 0.92 C ATOM 0 H LEU A 88 -7.928 -1.315 6.971 1.00 0.30 H new ATOM 0 HA LEU A 88 -8.289 0.292 4.670 1.00 0.37 H new ATOM 0 HB2 LEU A 88 -9.334 -1.930 5.102 1.00 0.52 H new ATOM 0 HB3 LEU A 88 -10.296 -1.217 6.382 1.00 0.52 H new ATOM 0 HG LEU A 88 -11.309 0.329 4.666 1.00 0.56 H new ATOM 0 HD11 LEU A 88 -11.101 -0.316 2.294 1.00 1.24 H new ATOM 0 HD12 LEU A 88 -9.539 0.192 2.980 1.00 1.24 H new ATOM 0 HD13 LEU A 88 -9.885 -1.537 2.739 1.00 1.24 H new ATOM 0 HD21 LEU A 88 -12.809 -1.380 3.726 1.00 0.92 H new ATOM 0 HD22 LEU A 88 -11.668 -2.651 4.227 1.00 0.92 H new ATOM 0 HD23 LEU A 88 -12.489 -1.658 5.454 1.00 0.92 H new ATOM 1295 N ILE A 89 -9.208 2.421 5.450 1.00 0.31 N ATOM 1296 CA ILE A 89 -9.664 3.723 5.903 1.00 0.31 C ATOM 1297 C ILE A 89 -10.778 4.269 5.020 1.00 0.33 C ATOM 1298 O ILE A 89 -10.739 4.142 3.792 1.00 0.35 O ATOM 1299 CB ILE A 89 -8.502 4.734 5.948 1.00 0.27 C ATOM 1300 CG1 ILE A 89 -7.731 4.729 4.622 1.00 0.23 C ATOM 1301 CG2 ILE A 89 -7.579 4.412 7.114 1.00 0.28 C ATOM 1302 CD1 ILE A 89 -6.628 5.761 4.551 1.00 0.21 C ATOM 0 H ILE A 89 -8.748 2.429 4.540 1.00 0.31 H new ATOM 0 HA ILE A 89 -10.057 3.585 6.910 1.00 0.31 H new ATOM 0 HB ILE A 89 -8.910 5.734 6.094 1.00 0.27 H new ATOM 0 HG12 ILE A 89 -7.300 3.740 4.467 1.00 0.23 H new ATOM 0 HG13 ILE A 89 -8.431 4.903 3.805 1.00 0.23 H new ATOM 0 HG21 ILE A 89 -6.760 5.131 7.139 1.00 0.28 H new ATOM 0 HG22 ILE A 89 -8.139 4.467 8.047 1.00 0.28 H new ATOM 0 HG23 ILE A 89 -7.176 3.407 6.992 1.00 0.28 H new ATOM 0 HD11 ILE A 89 -6.130 5.695 3.584 1.00 0.21 H new ATOM 0 HD12 ILE A 89 -7.053 6.757 4.673 1.00 0.21 H new ATOM 0 HD13 ILE A 89 -5.905 5.576 5.345 1.00 0.21 H new ATOM 1314 N GLY A 90 -11.776 4.868 5.655 1.00 0.34 N ATOM 1315 CA GLY A 90 -12.868 5.471 4.924 1.00 0.37 C ATOM 1316 C GLY A 90 -13.312 6.780 5.542 1.00 0.51 C ATOM 1317 O GLY A 90 -12.956 7.084 6.676 1.00 0.79 O ATOM 0 H GLY A 90 -11.847 4.946 6.670 1.00 0.34 H new ATOM 0 HA2 GLY A 90 -12.562 5.643 3.892 1.00 0.37 H new ATOM 0 HA3 GLY A 90 -13.710 4.780 4.896 1.00 0.37 H new ATOM 1321 N GLY A 91 -14.068 7.563 4.786 1.00 0.60 N ATOM 1322 CA GLY A 91 -14.639 8.800 5.301 1.00 0.81 C ATOM 1323 C GLY A 91 -13.613 9.847 5.707 1.00 0.57 C ATOM 1324 O GLY A 91 -13.927 10.753 6.480 1.00 0.70 O ATOM 0 H GLY A 91 -14.301 7.364 3.813 1.00 0.60 H new ATOM 0 HA2 GLY A 91 -15.294 9.227 4.542 1.00 0.81 H new ATOM 0 HA3 GLY A 91 -15.262 8.566 6.164 1.00 0.81 H new ATOM 1328 N GLY A 92 -12.397 9.746 5.189 1.00 0.54 N ATOM 1329 CA GLY A 92 -11.389 10.751 5.482 1.00 0.56 C ATOM 1330 C GLY A 92 -10.362 10.298 6.500 1.00 0.52 C ATOM 1331 O GLY A 92 -9.511 11.084 6.920 1.00 0.80 O ATOM 0 H GLY A 92 -12.089 8.992 4.575 1.00 0.54 H new ATOM 0 HA2 GLY A 92 -10.878 11.022 4.558 1.00 0.56 H new ATOM 0 HA3 GLY A 92 -11.881 11.651 5.850 1.00 0.56 H new ATOM 1335 N GLU A 93 -10.439 9.037 6.901 1.00 0.34 N ATOM 1336 CA GLU A 93 -9.495 8.487 7.869 1.00 0.27 C ATOM 1337 C GLU A 93 -8.097 8.365 7.265 1.00 0.23 C ATOM 1338 O GLU A 93 -7.917 8.469 6.046 1.00 0.29 O ATOM 1339 CB GLU A 93 -9.955 7.111 8.355 1.00 0.30 C ATOM 1340 CG GLU A 93 -11.209 7.125 9.210 1.00 0.38 C ATOM 1341 CD GLU A 93 -11.638 5.724 9.588 1.00 1.32 C ATOM 1342 OE1 GLU A 93 -12.111 4.982 8.697 1.00 2.34 O1- ATOM 1343 OE2 GLU A 93 -11.473 5.345 10.767 1.00 1.33 O ATOM 0 H GLU A 93 -11.143 8.375 6.573 1.00 0.34 H new ATOM 0 HA GLU A 93 -9.458 9.174 8.714 1.00 0.27 H new ATOM 0 HB2 GLU A 93 -10.131 6.475 7.488 1.00 0.30 H new ATOM 0 HB3 GLU A 93 -9.147 6.654 8.927 1.00 0.30 H new ATOM 0 HG2 GLU A 93 -11.028 7.707 10.113 1.00 0.38 H new ATOM 0 HG3 GLU A 93 -12.015 7.620 8.668 1.00 0.38 H new ATOM 1350 N GLU A 94 -7.114 8.142 8.127 1.00 0.21 N ATOM 1351 CA GLU A 94 -5.737 7.958 7.694 1.00 0.21 C ATOM 1352 C GLU A 94 -5.107 6.753 8.389 1.00 0.22 C ATOM 1353 O GLU A 94 -5.571 6.313 9.444 1.00 0.28 O ATOM 1354 CB GLU A 94 -4.908 9.237 7.933 1.00 0.25 C ATOM 1355 CG GLU A 94 -5.170 9.944 9.259 1.00 0.83 C ATOM 1356 CD GLU A 94 -4.724 9.149 10.466 1.00 1.27 C ATOM 1357 OE1 GLU A 94 -3.513 8.865 10.584 1.00 1.86 O ATOM 1358 OE2 GLU A 94 -5.578 8.822 11.315 1.00 1.67 O1- ATOM 0 H GLU A 94 -7.247 8.084 9.137 1.00 0.21 H new ATOM 0 HA GLU A 94 -5.741 7.761 6.622 1.00 0.21 H new ATOM 0 HB2 GLU A 94 -3.850 8.980 7.880 1.00 0.25 H new ATOM 0 HB3 GLU A 94 -5.107 9.937 7.121 1.00 0.25 H new ATOM 0 HG2 GLU A 94 -4.656 10.905 9.257 1.00 0.83 H new ATOM 0 HG3 GLU A 94 -6.236 10.153 9.346 1.00 0.83 H new ATOM 1365 N SER A 95 -4.071 6.207 7.776 1.00 0.22 N ATOM 1366 CA SER A 95 -3.349 5.076 8.336 1.00 0.27 C ATOM 1367 C SER A 95 -1.923 5.072 7.798 1.00 0.23 C ATOM 1368 O SER A 95 -1.669 5.564 6.700 1.00 0.29 O ATOM 1369 CB SER A 95 -4.064 3.758 8.002 1.00 0.37 C ATOM 1370 OG SER A 95 -3.479 2.662 8.688 1.00 1.35 O ATOM 0 H SER A 95 -3.707 6.533 6.880 1.00 0.22 H new ATOM 0 HA SER A 95 -3.319 5.170 9.422 1.00 0.27 H new ATOM 0 HB2 SER A 95 -5.118 3.836 8.270 1.00 0.37 H new ATOM 0 HB3 SER A 95 -4.021 3.581 6.927 1.00 0.37 H new ATOM 0 HG SER A 95 -4.150 2.241 9.265 1.00 1.35 H new ATOM 1376 N SER A 96 -0.996 4.536 8.571 1.00 0.28 N ATOM 1377 CA SER A 96 0.406 4.556 8.193 1.00 0.25 C ATOM 1378 C SER A 96 1.027 3.172 8.330 1.00 0.27 C ATOM 1379 O SER A 96 0.518 2.320 9.064 1.00 0.35 O ATOM 1380 CB SER A 96 1.160 5.565 9.065 1.00 0.29 C ATOM 1381 OG SER A 96 0.541 6.843 9.016 1.00 1.00 O ATOM 0 H SER A 96 -1.188 4.082 9.464 1.00 0.28 H new ATOM 0 HA SER A 96 0.481 4.856 7.148 1.00 0.25 H new ATOM 0 HB2 SER A 96 1.189 5.210 10.095 1.00 0.29 H new ATOM 0 HB3 SER A 96 2.193 5.644 8.726 1.00 0.29 H new ATOM 0 HG SER A 96 1.129 7.474 8.550 1.00 1.00 H new ATOM 1387 N LEU A 97 2.109 2.946 7.604 1.00 0.22 N ATOM 1388 CA LEU A 97 2.857 1.705 7.709 1.00 0.25 C ATOM 1389 C LEU A 97 4.346 2.003 7.787 1.00 0.24 C ATOM 1390 O LEU A 97 4.793 3.081 7.389 1.00 0.21 O ATOM 1391 CB LEU A 97 2.544 0.768 6.525 1.00 0.26 C ATOM 1392 CG LEU A 97 2.832 1.319 5.110 1.00 0.23 C ATOM 1393 CD1 LEU A 97 4.320 1.277 4.780 1.00 0.23 C ATOM 1394 CD2 LEU A 97 2.055 0.535 4.063 1.00 0.25 C ATOM 0 H LEU A 97 2.491 3.611 6.931 1.00 0.22 H new ATOM 0 HA LEU A 97 2.554 1.193 8.622 1.00 0.25 H new ATOM 0 HB2 LEU A 97 3.117 -0.150 6.656 1.00 0.26 H new ATOM 0 HB3 LEU A 97 1.490 0.495 6.576 1.00 0.26 H new ATOM 0 HG LEU A 97 2.509 2.360 5.097 1.00 0.23 H new ATOM 0 HD11 LEU A 97 4.482 1.673 3.777 1.00 0.23 H new ATOM 0 HD12 LEU A 97 4.870 1.881 5.501 1.00 0.23 H new ATOM 0 HD13 LEU A 97 4.674 0.247 4.825 1.00 0.23 H new ATOM 0 HD21 LEU A 97 2.270 0.937 3.073 1.00 0.25 H new ATOM 0 HD22 LEU A 97 2.350 -0.514 4.101 1.00 0.25 H new ATOM 0 HD23 LEU A 97 0.987 0.619 4.264 1.00 0.25 H new ATOM 1406 N THR A 98 5.103 1.052 8.298 1.00 0.31 N ATOM 1407 CA THR A 98 6.545 1.174 8.366 1.00 0.31 C ATOM 1408 C THR A 98 7.184 -0.118 7.868 1.00 0.32 C ATOM 1409 O THR A 98 6.877 -1.202 8.368 1.00 0.41 O ATOM 1410 CB THR A 98 7.010 1.471 9.802 1.00 0.37 C ATOM 1411 OG1 THR A 98 6.258 2.570 10.342 1.00 1.14 O ATOM 1412 CG2 THR A 98 8.490 1.812 9.830 1.00 0.79 C ATOM 0 H THR A 98 4.738 0.178 8.676 1.00 0.31 H new ATOM 0 HA THR A 98 6.854 2.007 7.734 1.00 0.31 H new ATOM 0 HB THR A 98 6.843 0.579 10.406 1.00 0.37 H new ATOM 0 HG1 THR A 98 6.558 2.753 11.257 1.00 1.14 H new ATOM 0 HG21 THR A 98 8.797 2.018 10.855 1.00 0.79 H new ATOM 0 HG22 THR A 98 9.065 0.971 9.442 1.00 0.79 H new ATOM 0 HG23 THR A 98 8.672 2.692 9.213 1.00 0.79 H new ATOM 1420 N LEU A 99 8.056 -0.005 6.879 1.00 0.30 N ATOM 1421 CA LEU A 99 8.608 -1.180 6.220 1.00 0.34 C ATOM 1422 C LEU A 99 10.122 -1.261 6.392 1.00 0.32 C ATOM 1423 O LEU A 99 10.790 -0.249 6.632 1.00 0.29 O ATOM 1424 CB LEU A 99 8.242 -1.162 4.730 1.00 0.37 C ATOM 1425 CG LEU A 99 8.881 -0.038 3.908 1.00 0.37 C ATOM 1426 CD1 LEU A 99 10.007 -0.585 3.043 1.00 0.42 C ATOM 1427 CD2 LEU A 99 7.842 0.663 3.048 1.00 0.49 C ATOM 0 H LEU A 99 8.397 0.885 6.515 1.00 0.30 H new ATOM 0 HA LEU A 99 8.176 -2.064 6.688 1.00 0.34 H new ATOM 0 HB2 LEU A 99 8.529 -2.118 4.292 1.00 0.37 H new ATOM 0 HB3 LEU A 99 7.159 -1.083 4.641 1.00 0.37 H new ATOM 0 HG LEU A 99 9.298 0.694 4.600 1.00 0.37 H new ATOM 0 HD11 LEU A 99 10.450 0.227 2.466 1.00 0.42 H new ATOM 0 HD12 LEU A 99 10.769 -1.035 3.679 1.00 0.42 H new ATOM 0 HD13 LEU A 99 9.610 -1.339 2.363 1.00 0.42 H new ATOM 0 HD21 LEU A 99 8.320 1.457 2.474 1.00 0.49 H new ATOM 0 HD22 LEU A 99 7.389 -0.056 2.365 1.00 0.49 H new ATOM 0 HD23 LEU A 99 7.070 1.092 3.687 1.00 0.49 H new ATOM 1439 N ASP A 100 10.640 -2.478 6.275 1.00 0.38 N ATOM 1440 CA ASP A 100 12.073 -2.728 6.323 1.00 0.40 C ATOM 1441 C ASP A 100 12.632 -2.759 4.902 1.00 0.38 C ATOM 1442 O ASP A 100 12.319 -3.664 4.125 1.00 0.42 O ATOM 1443 CB ASP A 100 12.350 -4.057 7.035 1.00 0.50 C ATOM 1444 CG ASP A 100 13.823 -4.412 7.081 1.00 1.26 C ATOM 1445 OD1 ASP A 100 14.575 -3.770 7.850 1.00 1.72 O ATOM 1446 OD2 ASP A 100 14.238 -5.348 6.368 1.00 2.08 O1- ATOM 0 H ASP A 100 10.077 -3.319 6.144 1.00 0.38 H new ATOM 0 HA ASP A 100 12.562 -1.929 6.880 1.00 0.40 H new ATOM 0 HB2 ASP A 100 11.963 -4.004 8.053 1.00 0.50 H new ATOM 0 HB3 ASP A 100 11.806 -4.854 6.528 1.00 0.50 H new ATOM 1451 N PRO A 101 13.462 -1.769 4.543 1.00 0.38 N ATOM 1452 CA PRO A 101 13.957 -1.604 3.170 1.00 0.41 C ATOM 1453 C PRO A 101 14.839 -2.756 2.686 1.00 0.39 C ATOM 1454 O PRO A 101 15.120 -2.866 1.491 1.00 0.43 O ATOM 1455 CB PRO A 101 14.756 -0.297 3.216 1.00 0.46 C ATOM 1456 CG PRO A 101 15.067 -0.066 4.655 1.00 0.53 C ATOM 1457 CD PRO A 101 13.969 -0.722 5.447 1.00 0.43 C ATOM 0 HA PRO A 101 13.127 -1.590 2.463 1.00 0.41 H new ATOM 0 HB2 PRO A 101 15.669 -0.375 2.626 1.00 0.46 H new ATOM 0 HB3 PRO A 101 14.179 0.530 2.802 1.00 0.46 H new ATOM 0 HG2 PRO A 101 16.037 -0.490 4.914 1.00 0.53 H new ATOM 0 HG3 PRO A 101 15.117 1.001 4.873 1.00 0.53 H new ATOM 0 HD2 PRO A 101 14.345 -1.145 6.378 1.00 0.43 H new ATOM 0 HD3 PRO A 101 13.188 -0.010 5.713 1.00 0.43 H new ATOM 1465 N ALA A 102 15.268 -3.619 3.598 1.00 0.42 N ATOM 1466 CA ALA A 102 16.082 -4.769 3.225 1.00 0.48 C ATOM 1467 C ALA A 102 15.250 -5.796 2.466 1.00 0.46 C ATOM 1468 O ALA A 102 15.779 -6.568 1.665 1.00 0.49 O ATOM 1469 CB ALA A 102 16.722 -5.400 4.449 1.00 0.62 C ATOM 0 H ALA A 102 15.068 -3.546 4.595 1.00 0.42 H new ATOM 0 HA ALA A 102 16.878 -4.419 2.568 1.00 0.48 H new ATOM 0 HB1 ALA A 102 17.324 -6.256 4.144 1.00 0.62 H new ATOM 0 HB2 ALA A 102 17.358 -4.667 4.946 1.00 0.62 H new ATOM 0 HB3 ALA A 102 15.944 -5.730 5.137 1.00 0.62 H new ATOM 1475 N LYS A 103 13.943 -5.786 2.708 1.00 0.47 N ATOM 1476 CA LYS A 103 13.028 -6.685 2.011 1.00 0.52 C ATOM 1477 C LYS A 103 12.934 -6.326 0.531 1.00 0.52 C ATOM 1478 O LYS A 103 12.746 -7.196 -0.317 1.00 0.69 O ATOM 1479 CB LYS A 103 11.631 -6.629 2.640 1.00 0.60 C ATOM 1480 CG LYS A 103 11.497 -7.391 3.949 1.00 1.28 C ATOM 1481 CD LYS A 103 11.620 -8.893 3.736 1.00 1.53 C ATOM 1482 CE LYS A 103 11.261 -9.675 4.992 1.00 2.13 C ATOM 1483 NZ LYS A 103 9.840 -9.484 5.386 1.00 2.92 N1+ ATOM 0 H LYS A 103 13.493 -5.166 3.381 1.00 0.47 H new ATOM 0 HA LYS A 103 13.422 -7.697 2.105 1.00 0.52 H new ATOM 0 HB2 LYS A 103 11.366 -5.586 2.813 1.00 0.60 H new ATOM 0 HB3 LYS A 103 10.909 -7.027 1.927 1.00 0.60 H new ATOM 0 HG2 LYS A 103 12.266 -7.057 4.646 1.00 1.28 H new ATOM 0 HG3 LYS A 103 10.533 -7.165 4.406 1.00 1.28 H new ATOM 0 HD2 LYS A 103 10.967 -9.199 2.919 1.00 1.53 H new ATOM 0 HD3 LYS A 103 12.640 -9.135 3.436 1.00 1.53 H new ATOM 0 HE2 LYS A 103 11.450 -10.735 4.824 1.00 2.13 H new ATOM 0 HE3 LYS A 103 11.909 -9.361 5.811 1.00 2.13 H new ATOM 0 HZ1 LYS A 103 9.555 -10.243 6.037 1.00 2.92 H new ATOM 0 HZ2 LYS A 103 9.731 -8.564 5.858 1.00 2.92 H new ATOM 0 HZ3 LYS A 103 9.238 -9.511 4.538 1.00 2.92 H new ATOM 1497 N LEU A 104 13.091 -5.042 0.227 1.00 0.43 N ATOM 1498 CA LEU A 104 12.929 -4.552 -1.140 1.00 0.44 C ATOM 1499 C LEU A 104 14.219 -4.693 -1.935 1.00 0.47 C ATOM 1500 O LEU A 104 14.295 -4.289 -3.095 1.00 0.51 O ATOM 1501 CB LEU A 104 12.472 -3.088 -1.147 1.00 0.43 C ATOM 1502 CG LEU A 104 10.959 -2.854 -0.999 1.00 0.70 C ATOM 1503 CD1 LEU A 104 10.420 -3.474 0.281 1.00 1.22 C ATOM 1504 CD2 LEU A 104 10.655 -1.366 -1.027 1.00 1.30 C ATOM 0 H LEU A 104 13.330 -4.321 0.908 1.00 0.43 H new ATOM 0 HA LEU A 104 12.162 -5.164 -1.615 1.00 0.44 H new ATOM 0 HB2 LEU A 104 12.981 -2.565 -0.338 1.00 0.43 H new ATOM 0 HB3 LEU A 104 12.801 -2.630 -2.080 1.00 0.43 H new ATOM 0 HG LEU A 104 10.463 -3.339 -1.839 1.00 0.70 H new ATOM 0 HD11 LEU A 104 9.348 -3.289 0.352 1.00 1.22 H new ATOM 0 HD12 LEU A 104 10.603 -4.549 0.270 1.00 1.22 H new ATOM 0 HD13 LEU A 104 10.923 -3.030 1.140 1.00 1.22 H new ATOM 0 HD21 LEU A 104 9.581 -1.212 -0.921 1.00 1.30 H new ATOM 0 HD22 LEU A 104 11.175 -0.873 -0.206 1.00 1.30 H new ATOM 0 HD23 LEU A 104 10.991 -0.944 -1.974 1.00 1.30 H new ATOM 1516 N ALA A 105 15.231 -5.265 -1.307 1.00 0.55 N ATOM 1517 CA ALA A 105 16.500 -5.500 -1.975 1.00 0.63 C ATOM 1518 C ALA A 105 16.453 -6.799 -2.769 1.00 0.72 C ATOM 1519 O ALA A 105 17.300 -7.046 -3.629 1.00 1.08 O ATOM 1520 CB ALA A 105 17.636 -5.528 -0.965 1.00 0.73 C ATOM 0 H ALA A 105 15.199 -5.575 -0.336 1.00 0.55 H new ATOM 0 HA ALA A 105 16.681 -4.681 -2.671 1.00 0.63 H new ATOM 0 HB1 ALA A 105 18.579 -5.705 -1.483 1.00 0.73 H new ATOM 0 HB2 ALA A 105 17.682 -4.572 -0.443 1.00 0.73 H new ATOM 0 HB3 ALA A 105 17.462 -6.327 -0.244 1.00 0.73 H new ATOM 1526 N ASP A 106 15.446 -7.618 -2.489 1.00 0.69 N ATOM 1527 CA ASP A 106 15.302 -8.912 -3.146 1.00 0.81 C ATOM 1528 C ASP A 106 14.019 -8.969 -3.964 1.00 0.82 C ATOM 1529 O ASP A 106 13.089 -9.711 -3.640 1.00 1.27 O ATOM 1530 CB ASP A 106 15.318 -10.054 -2.125 1.00 1.07 C ATOM 1531 CG ASP A 106 16.664 -10.221 -1.453 1.00 1.45 C ATOM 1532 OD1 ASP A 106 17.642 -10.578 -2.145 1.00 2.04 O1- ATOM 1533 OD2 ASP A 106 16.758 -9.992 -0.229 1.00 1.96 O ATOM 0 H ASP A 106 14.715 -7.408 -1.809 1.00 0.69 H new ATOM 0 HA ASP A 106 16.152 -9.033 -3.818 1.00 0.81 H new ATOM 0 HB2 ASP A 106 14.559 -9.867 -1.366 1.00 1.07 H new ATOM 0 HB3 ASP A 106 15.048 -10.985 -2.624 1.00 1.07 H new ATOM 1538 N GLY A 107 13.965 -8.170 -5.015 1.00 0.61 N ATOM 1539 CA GLY A 107 12.841 -8.223 -5.920 1.00 0.74 C ATOM 1540 C GLY A 107 12.213 -6.872 -6.149 1.00 0.60 C ATOM 1541 O GLY A 107 12.566 -5.892 -5.491 1.00 0.52 O ATOM 0 H GLY A 107 14.681 -7.485 -5.258 1.00 0.61 H new ATOM 0 HA2 GLY A 107 13.168 -8.633 -6.875 1.00 0.74 H new ATOM 0 HA3 GLY A 107 12.090 -8.905 -5.521 1.00 0.74 H new ATOM 1545 N ASP A 108 11.278 -6.825 -7.083 1.00 0.64 N ATOM 1546 CA ASP A 108 10.546 -5.608 -7.379 1.00 0.59 C ATOM 1547 C ASP A 108 9.191 -5.643 -6.700 1.00 0.43 C ATOM 1548 O ASP A 108 8.389 -6.553 -6.923 1.00 0.38 O ATOM 1549 CB ASP A 108 10.373 -5.425 -8.886 1.00 0.73 C ATOM 1550 CG ASP A 108 11.631 -4.919 -9.555 1.00 1.22 C ATOM 1551 OD1 ASP A 108 11.899 -3.698 -9.485 1.00 1.56 O ATOM 1552 OD2 ASP A 108 12.359 -5.733 -10.158 1.00 2.02 O1- ATOM 0 H ASP A 108 11.007 -7.626 -7.654 1.00 0.64 H new ATOM 0 HA ASP A 108 11.118 -4.762 -6.998 1.00 0.59 H new ATOM 0 HB2 ASP A 108 10.084 -6.376 -9.334 1.00 0.73 H new ATOM 0 HB3 ASP A 108 9.559 -4.725 -9.073 1.00 0.73 H new ATOM 1557 N TYR A 109 8.951 -4.665 -5.853 1.00 0.39 N ATOM 1558 CA TYR A 109 7.720 -4.610 -5.089 1.00 0.32 C ATOM 1559 C TYR A 109 6.798 -3.533 -5.628 1.00 0.30 C ATOM 1560 O TYR A 109 7.240 -2.581 -6.268 1.00 0.35 O ATOM 1561 CB TYR A 109 8.033 -4.373 -3.609 1.00 0.35 C ATOM 1562 CG TYR A 109 8.730 -5.549 -2.966 1.00 0.31 C ATOM 1563 CD1 TYR A 109 10.076 -5.804 -3.202 1.00 0.37 C ATOM 1564 CD2 TYR A 109 8.035 -6.415 -2.138 1.00 0.39 C ATOM 1565 CE1 TYR A 109 10.705 -6.890 -2.630 1.00 0.39 C ATOM 1566 CE2 TYR A 109 8.658 -7.503 -1.561 1.00 0.39 C ATOM 1567 CZ TYR A 109 9.992 -7.737 -1.810 1.00 0.34 C ATOM 1568 OH TYR A 109 10.614 -8.820 -1.234 1.00 0.40 O ATOM 0 H TYR A 109 9.594 -3.894 -5.675 1.00 0.39 H new ATOM 0 HA TYR A 109 7.205 -5.566 -5.186 1.00 0.32 H new ATOM 0 HB2 TYR A 109 8.660 -3.487 -3.512 1.00 0.35 H new ATOM 0 HB3 TYR A 109 7.106 -4.168 -3.074 1.00 0.35 H new ATOM 0 HD1 TYR A 109 10.638 -5.141 -3.843 1.00 0.37 H new ATOM 0 HD2 TYR A 109 6.988 -6.236 -1.941 1.00 0.39 H new ATOM 0 HE1 TYR A 109 11.751 -7.076 -2.824 1.00 0.39 H new ATOM 0 HE2 TYR A 109 8.102 -8.168 -0.917 1.00 0.39 H new ATOM 0 HH TYR A 109 11.440 -8.528 -0.795 1.00 0.40 H new ATOM 1578 N LYS A 110 5.512 -3.697 -5.386 1.00 0.28 N ATOM 1579 CA LYS A 110 4.529 -2.723 -5.818 1.00 0.29 C ATOM 1580 C LYS A 110 3.592 -2.391 -4.671 1.00 0.22 C ATOM 1581 O LYS A 110 3.527 -3.124 -3.682 1.00 0.25 O ATOM 1582 CB LYS A 110 3.720 -3.248 -7.011 1.00 0.39 C ATOM 1583 CG LYS A 110 4.573 -3.847 -8.121 1.00 0.62 C ATOM 1584 CD LYS A 110 3.808 -3.951 -9.434 1.00 0.67 C ATOM 1585 CE LYS A 110 2.492 -4.697 -9.276 1.00 1.21 C ATOM 1586 NZ LYS A 110 1.786 -4.852 -10.575 1.00 1.53 N1+ ATOM 0 H LYS A 110 5.123 -4.499 -4.890 1.00 0.28 H new ATOM 0 HA LYS A 110 5.057 -1.822 -6.131 1.00 0.29 H new ATOM 0 HB2 LYS A 110 3.019 -4.004 -6.657 1.00 0.39 H new ATOM 0 HB3 LYS A 110 3.127 -2.431 -7.423 1.00 0.39 H new ATOM 0 HG2 LYS A 110 5.462 -3.233 -8.267 1.00 0.62 H new ATOM 0 HG3 LYS A 110 4.915 -4.837 -7.821 1.00 0.62 H new ATOM 0 HD2 LYS A 110 3.612 -2.950 -9.818 1.00 0.67 H new ATOM 0 HD3 LYS A 110 4.426 -4.461 -10.173 1.00 0.67 H new ATOM 0 HE2 LYS A 110 2.681 -5.680 -8.845 1.00 1.21 H new ATOM 0 HE3 LYS A 110 1.852 -4.160 -8.576 1.00 1.21 H new ATOM 0 HZ1 LYS A 110 0.894 -5.365 -10.426 1.00 1.53 H new ATOM 0 HZ2 LYS A 110 1.583 -3.913 -10.974 1.00 1.53 H new ATOM 0 HZ3 LYS A 110 2.387 -5.386 -11.235 1.00 1.53 H new ATOM 1600 N PHE A 111 2.879 -1.288 -4.802 1.00 0.20 N ATOM 1601 CA PHE A 111 1.880 -0.906 -3.820 1.00 0.19 C ATOM 1602 C PHE A 111 0.518 -0.873 -4.489 1.00 0.17 C ATOM 1603 O PHE A 111 0.411 -0.512 -5.661 1.00 0.21 O ATOM 1604 CB PHE A 111 2.208 0.451 -3.174 1.00 0.22 C ATOM 1605 CG PHE A 111 2.139 1.632 -4.104 1.00 0.20 C ATOM 1606 CD1 PHE A 111 3.238 1.995 -4.867 1.00 0.19 C ATOM 1607 CD2 PHE A 111 0.972 2.367 -4.227 1.00 0.22 C ATOM 1608 CE1 PHE A 111 3.176 3.072 -5.731 1.00 0.20 C ATOM 1609 CE2 PHE A 111 0.903 3.443 -5.092 1.00 0.23 C ATOM 1610 CZ PHE A 111 2.014 3.831 -5.799 1.00 0.21 C ATOM 0 H PHE A 111 2.973 -0.638 -5.582 1.00 0.20 H new ATOM 0 HA PHE A 111 1.876 -1.644 -3.018 1.00 0.19 H new ATOM 0 HB2 PHE A 111 1.518 0.619 -2.347 1.00 0.22 H new ATOM 0 HB3 PHE A 111 3.210 0.401 -2.748 1.00 0.22 H new ATOM 0 HD1 PHE A 111 4.154 1.429 -4.785 1.00 0.19 H new ATOM 0 HD2 PHE A 111 0.106 2.097 -3.641 1.00 0.22 H new ATOM 0 HE1 PHE A 111 4.025 3.322 -6.349 1.00 0.20 H new ATOM 0 HE2 PHE A 111 -0.027 3.979 -5.212 1.00 0.23 H new ATOM 0 HZ PHE A 111 1.985 4.724 -6.406 1.00 0.21 H new ATOM 1620 N ALA A 112 -0.513 -1.267 -3.763 1.00 0.14 N ATOM 1621 CA ALA A 112 -1.843 -1.353 -4.342 1.00 0.15 C ATOM 1622 C ALA A 112 -2.926 -1.291 -3.280 1.00 0.15 C ATOM 1623 O ALA A 112 -2.660 -1.483 -2.093 1.00 0.17 O ATOM 1624 CB ALA A 112 -1.977 -2.640 -5.140 1.00 0.19 C ATOM 0 H ALA A 112 -0.457 -1.531 -2.779 1.00 0.14 H new ATOM 0 HA ALA A 112 -1.974 -0.495 -5.001 1.00 0.15 H new ATOM 0 HB1 ALA A 112 -2.976 -2.698 -5.571 1.00 0.19 H new ATOM 0 HB2 ALA A 112 -1.236 -2.652 -5.939 1.00 0.19 H new ATOM 0 HB3 ALA A 112 -1.815 -3.494 -4.483 1.00 0.19 H new ATOM 1630 N CYS A 113 -4.142 -1.014 -3.727 1.00 0.15 N ATOM 1631 CA CYS A 113 -5.312 -1.031 -2.862 1.00 0.14 C ATOM 1632 C CYS A 113 -6.005 -2.383 -2.999 1.00 0.14 C ATOM 1633 O CYS A 113 -6.421 -2.763 -4.094 1.00 0.16 O ATOM 1634 CB CYS A 113 -6.269 0.115 -3.237 1.00 0.14 C ATOM 1635 SG CYS A 113 -7.570 0.449 -2.020 1.00 0.13 S ATOM 0 H CYS A 113 -4.345 -0.772 -4.697 1.00 0.15 H new ATOM 0 HA CYS A 113 -5.008 -0.886 -1.825 1.00 0.14 H new ATOM 0 HB2 CYS A 113 -5.685 1.024 -3.382 1.00 0.14 H new ATOM 0 HB3 CYS A 113 -6.737 -0.120 -4.193 1.00 0.14 H new ATOM 0 HG CYS A 113 -8.678 0.736 -2.637 1.00 0.13 H new ATOM 1640 N THR A 114 -6.115 -3.116 -1.897 1.00 0.15 N ATOM 1641 CA THR A 114 -6.647 -4.475 -1.941 1.00 0.17 C ATOM 1642 C THR A 114 -8.171 -4.498 -1.837 1.00 0.16 C ATOM 1643 O THR A 114 -8.776 -5.559 -1.672 1.00 0.21 O ATOM 1644 CB THR A 114 -6.039 -5.359 -0.833 1.00 0.21 C ATOM 1645 OG1 THR A 114 -6.193 -4.731 0.450 1.00 0.22 O ATOM 1646 CG2 THR A 114 -4.564 -5.620 -1.098 1.00 0.24 C ATOM 0 H THR A 114 -5.845 -2.796 -0.967 1.00 0.15 H new ATOM 0 HA THR A 114 -6.363 -4.882 -2.911 1.00 0.17 H new ATOM 0 HB THR A 114 -6.570 -6.311 -0.833 1.00 0.21 H new ATOM 0 HG1 THR A 114 -6.298 -5.419 1.140 1.00 0.22 H new ATOM 0 HG21 THR A 114 -4.157 -6.245 -0.304 1.00 0.24 H new ATOM 0 HG22 THR A 114 -4.451 -6.129 -2.055 1.00 0.24 H new ATOM 0 HG23 THR A 114 -4.026 -4.672 -1.126 1.00 0.24 H new ATOM 1654 N PHE A 115 -8.787 -3.329 -1.937 1.00 0.14 N ATOM 1655 CA PHE A 115 -10.236 -3.240 -1.957 1.00 0.17 C ATOM 1656 C PHE A 115 -10.748 -3.832 -3.274 1.00 0.22 C ATOM 1657 O PHE A 115 -10.201 -3.547 -4.339 1.00 0.23 O ATOM 1658 CB PHE A 115 -10.675 -1.776 -1.801 1.00 0.15 C ATOM 1659 CG PHE A 115 -12.139 -1.602 -1.493 1.00 0.17 C ATOM 1660 CD1 PHE A 115 -13.073 -1.491 -2.511 1.00 0.23 C ATOM 1661 CD2 PHE A 115 -12.577 -1.544 -0.182 1.00 0.17 C ATOM 1662 CE1 PHE A 115 -14.415 -1.328 -2.225 1.00 0.26 C ATOM 1663 CE2 PHE A 115 -13.916 -1.379 0.110 1.00 0.20 C ATOM 1664 CZ PHE A 115 -14.836 -1.271 -0.913 1.00 0.24 C ATOM 0 H PHE A 115 -8.306 -2.432 -2.005 1.00 0.14 H new ATOM 0 HA PHE A 115 -10.658 -3.804 -1.126 1.00 0.17 H new ATOM 0 HB2 PHE A 115 -10.090 -1.315 -1.005 1.00 0.15 H new ATOM 0 HB3 PHE A 115 -10.442 -1.238 -2.720 1.00 0.15 H new ATOM 0 HD1 PHE A 115 -12.748 -1.532 -3.540 1.00 0.23 H new ATOM 0 HD2 PHE A 115 -11.862 -1.629 0.623 1.00 0.17 H new ATOM 0 HE1 PHE A 115 -15.133 -1.245 -3.028 1.00 0.26 H new ATOM 0 HE2 PHE A 115 -14.243 -1.334 1.138 1.00 0.20 H new ATOM 0 HZ PHE A 115 -15.884 -1.142 -0.686 1.00 0.24 H new ATOM 1674 N PRO A 116 -11.773 -4.698 -3.215 1.00 0.30 N ATOM 1675 CA PRO A 116 -12.311 -5.374 -4.404 1.00 0.37 C ATOM 1676 C PRO A 116 -12.735 -4.401 -5.499 1.00 0.31 C ATOM 1677 O PRO A 116 -13.644 -3.589 -5.310 1.00 0.30 O ATOM 1678 CB PRO A 116 -13.527 -6.134 -3.871 1.00 0.46 C ATOM 1679 CG PRO A 116 -13.257 -6.312 -2.419 1.00 0.49 C ATOM 1680 CD PRO A 116 -12.485 -5.096 -1.988 1.00 0.37 C ATOM 0 HA PRO A 116 -11.561 -6.012 -4.870 1.00 0.37 H new ATOM 0 HB2 PRO A 116 -14.447 -5.574 -4.037 1.00 0.46 H new ATOM 0 HB3 PRO A 116 -13.644 -7.095 -4.372 1.00 0.46 H new ATOM 0 HG2 PRO A 116 -14.187 -6.403 -1.858 1.00 0.49 H new ATOM 0 HG3 PRO A 116 -12.685 -7.222 -2.237 1.00 0.49 H new ATOM 0 HD2 PRO A 116 -13.145 -4.305 -1.631 1.00 0.37 H new ATOM 0 HD3 PRO A 116 -11.793 -5.324 -1.177 1.00 0.37 H new ATOM 1688 N GLY A 117 -12.063 -4.489 -6.640 1.00 0.34 N ATOM 1689 CA GLY A 117 -12.363 -3.617 -7.757 1.00 0.33 C ATOM 1690 C GLY A 117 -11.436 -2.420 -7.812 1.00 0.33 C ATOM 1691 O GLY A 117 -11.389 -1.703 -8.812 1.00 0.50 O ATOM 0 H GLY A 117 -11.310 -5.155 -6.811 1.00 0.34 H new ATOM 0 HA2 GLY A 117 -12.283 -4.180 -8.687 1.00 0.33 H new ATOM 0 HA3 GLY A 117 -13.394 -3.273 -7.681 1.00 0.33 H new ATOM 1695 N HIS A 118 -10.692 -2.209 -6.737 1.00 0.24 N ATOM 1696 CA HIS A 118 -9.797 -1.064 -6.641 1.00 0.23 C ATOM 1697 C HIS A 118 -8.395 -1.397 -7.135 1.00 0.29 C ATOM 1698 O HIS A 118 -7.681 -0.519 -7.613 1.00 0.38 O ATOM 1699 CB HIS A 118 -9.731 -0.550 -5.200 1.00 0.20 C ATOM 1700 CG HIS A 118 -10.880 0.337 -4.818 1.00 0.16 C ATOM 1701 ND1 HIS A 118 -10.735 1.326 -3.874 1.00 0.18 N ATOM 1702 CD2 HIS A 118 -12.158 0.343 -5.272 1.00 0.19 C ATOM 1703 CE1 HIS A 118 -11.917 1.905 -3.772 1.00 0.20 C ATOM 1704 NE2 HIS A 118 -12.813 1.343 -4.600 1.00 0.18 N ATOM 0 H HIS A 118 -10.690 -2.816 -5.917 1.00 0.24 H new ATOM 0 HA HIS A 118 -10.204 -0.283 -7.284 1.00 0.23 H new ATOM 0 HB2 HIS A 118 -9.702 -1.403 -4.521 1.00 0.20 H new ATOM 0 HB3 HIS A 118 -8.799 -0.001 -5.063 1.00 0.20 H new ATOM 0 HD2 HIS A 118 -12.579 -0.314 -6.019 1.00 0.19 H new ATOM 0 HE1 HIS A 118 -12.136 2.727 -3.107 1.00 0.20 H new ATOM 0 HE2 HIS A 118 -13.792 1.609 -4.708 1.00 0.18 H new ATOM 1712 N GLY A 119 -8.015 -2.668 -7.036 1.00 0.33 N ATOM 1713 CA GLY A 119 -6.671 -3.087 -7.410 1.00 0.42 C ATOM 1714 C GLY A 119 -6.274 -2.649 -8.810 1.00 0.49 C ATOM 1715 O GLY A 119 -5.152 -2.195 -9.029 1.00 0.61 O ATOM 0 H GLY A 119 -8.616 -3.421 -6.702 1.00 0.33 H new ATOM 0 HA2 GLY A 119 -5.958 -2.680 -6.693 1.00 0.42 H new ATOM 0 HA3 GLY A 119 -6.605 -4.173 -7.344 1.00 0.42 H new ATOM 1719 N ALA A 120 -7.205 -2.756 -9.748 1.00 0.53 N ATOM 1720 CA ALA A 120 -6.939 -2.428 -11.143 1.00 0.67 C ATOM 1721 C ALA A 120 -6.723 -0.929 -11.346 1.00 0.64 C ATOM 1722 O ALA A 120 -6.017 -0.513 -12.266 1.00 0.75 O ATOM 1723 CB ALA A 120 -8.085 -2.915 -12.014 1.00 0.83 C ATOM 0 H ALA A 120 -8.158 -3.070 -9.567 1.00 0.53 H new ATOM 0 HA ALA A 120 -6.018 -2.933 -11.434 1.00 0.67 H new ATOM 0 HB1 ALA A 120 -7.881 -2.667 -13.056 1.00 0.83 H new ATOM 0 HB2 ALA A 120 -8.187 -3.995 -11.911 1.00 0.83 H new ATOM 0 HB3 ALA A 120 -9.011 -2.432 -11.701 1.00 0.83 H new ATOM 1729 N LEU A 121 -7.321 -0.120 -10.486 1.00 0.56 N ATOM 1730 CA LEU A 121 -7.256 1.330 -10.632 1.00 0.64 C ATOM 1731 C LEU A 121 -6.230 1.938 -9.678 1.00 0.51 C ATOM 1732 O LEU A 121 -5.806 3.083 -9.846 1.00 0.69 O ATOM 1733 CB LEU A 121 -8.631 1.949 -10.367 1.00 0.82 C ATOM 1734 CG LEU A 121 -9.765 1.452 -11.266 1.00 1.38 C ATOM 1735 CD1 LEU A 121 -11.090 2.059 -10.830 1.00 2.13 C ATOM 1736 CD2 LEU A 121 -9.485 1.785 -12.724 1.00 1.76 C ATOM 0 H LEU A 121 -7.857 -0.440 -9.679 1.00 0.56 H new ATOM 0 HA LEU A 121 -6.948 1.548 -11.654 1.00 0.64 H new ATOM 0 HB2 LEU A 121 -8.903 1.755 -9.329 1.00 0.82 H new ATOM 0 HB3 LEU A 121 -8.550 3.030 -10.479 1.00 0.82 H new ATOM 0 HG LEU A 121 -9.827 0.368 -11.169 1.00 1.38 H new ATOM 0 HD11 LEU A 121 -11.887 1.696 -11.479 1.00 2.13 H new ATOM 0 HD12 LEU A 121 -11.301 1.771 -9.800 1.00 2.13 H new ATOM 0 HD13 LEU A 121 -11.033 3.145 -10.898 1.00 2.13 H new ATOM 0 HD21 LEU A 121 -10.305 1.422 -13.344 1.00 1.76 H new ATOM 0 HD22 LEU A 121 -9.393 2.865 -12.839 1.00 1.76 H new ATOM 0 HD23 LEU A 121 -8.556 1.307 -13.034 1.00 1.76 H new ATOM 1748 N MET A 122 -5.837 1.167 -8.678 1.00 0.34 N ATOM 1749 CA MET A 122 -4.941 1.654 -7.643 1.00 0.22 C ATOM 1750 C MET A 122 -3.787 0.689 -7.409 1.00 0.17 C ATOM 1751 O MET A 122 -3.815 -0.120 -6.484 1.00 0.21 O ATOM 1752 CB MET A 122 -5.719 1.873 -6.346 1.00 0.27 C ATOM 1753 CG MET A 122 -6.443 3.208 -6.283 1.00 0.65 C ATOM 1754 SD MET A 122 -8.002 3.104 -5.390 1.00 0.24 S ATOM 1755 CE MET A 122 -9.030 2.349 -6.640 1.00 0.54 C ATOM 0 H MET A 122 -6.126 0.196 -8.561 1.00 0.34 H new ATOM 0 HA MET A 122 -4.519 2.602 -7.976 1.00 0.22 H new ATOM 0 HB2 MET A 122 -6.447 1.070 -6.230 1.00 0.27 H new ATOM 0 HB3 MET A 122 -5.030 1.804 -5.504 1.00 0.27 H new ATOM 0 HG2 MET A 122 -5.800 3.944 -5.801 1.00 0.65 H new ATOM 0 HG3 MET A 122 -6.631 3.564 -7.296 1.00 0.65 H new ATOM 0 HE1 MET A 122 -10.075 2.406 -6.335 1.00 0.54 H new ATOM 0 HE2 MET A 122 -8.899 2.875 -7.585 1.00 0.54 H new ATOM 0 HE3 MET A 122 -8.744 1.304 -6.764 1.00 0.54 H new ATOM 1765 N ASN A 123 -2.781 0.780 -8.267 1.00 0.20 N ATOM 1766 CA ASN A 123 -1.555 0.009 -8.108 1.00 0.25 C ATOM 1767 C ASN A 123 -0.391 0.772 -8.728 1.00 0.22 C ATOM 1768 O ASN A 123 -0.552 1.441 -9.751 1.00 0.34 O ATOM 1769 CB ASN A 123 -1.672 -1.389 -8.744 1.00 0.44 C ATOM 1770 CG ASN A 123 -1.885 -1.352 -10.247 1.00 0.54 C ATOM 1771 OD1 ASN A 123 -0.929 -1.316 -11.021 1.00 1.13 O ATOM 1772 ND2 ASN A 123 -3.135 -1.395 -10.671 1.00 0.58 N ATOM 0 H ASN A 123 -2.790 1.386 -9.088 1.00 0.20 H new ATOM 0 HA ASN A 123 -1.379 -0.131 -7.042 1.00 0.25 H new ATOM 0 HB2 ASN A 123 -0.767 -1.956 -8.527 1.00 0.44 H new ATOM 0 HB3 ASN A 123 -2.501 -1.923 -8.280 1.00 0.44 H new ATOM 0 HD21 ASN A 123 -3.334 -1.399 -11.671 1.00 0.58 H new ATOM 0 HD22 ASN A 123 -3.901 -1.424 -9.998 1.00 0.58 H new ATOM 1779 N GLY A 124 0.769 0.681 -8.098 1.00 0.19 N ATOM 1780 CA GLY A 124 1.944 1.370 -8.592 1.00 0.21 C ATOM 1781 C GLY A 124 3.224 0.689 -8.157 1.00 0.23 C ATOM 1782 O GLY A 124 3.181 -0.351 -7.504 1.00 0.31 O ATOM 0 H GLY A 124 0.919 0.139 -7.247 1.00 0.19 H new ATOM 0 HA2 GLY A 124 1.908 1.414 -9.681 1.00 0.21 H new ATOM 0 HA3 GLY A 124 1.940 2.399 -8.231 1.00 0.21 H new ATOM 1786 N LYS A 125 4.360 1.285 -8.489 1.00 0.24 N ATOM 1787 CA LYS A 125 5.654 0.666 -8.236 1.00 0.28 C ATOM 1788 C LYS A 125 6.350 1.301 -7.032 1.00 0.25 C ATOM 1789 O LYS A 125 6.366 2.521 -6.885 1.00 0.26 O ATOM 1790 CB LYS A 125 6.547 0.796 -9.477 1.00 0.40 C ATOM 1791 CG LYS A 125 7.945 0.218 -9.299 1.00 1.21 C ATOM 1792 CD LYS A 125 7.908 -1.284 -9.076 1.00 1.31 C ATOM 1793 CE LYS A 125 9.275 -1.829 -8.690 1.00 1.41 C ATOM 1794 NZ LYS A 125 10.299 -1.590 -9.741 1.00 1.48 N1+ ATOM 0 H LYS A 125 4.412 2.200 -8.936 1.00 0.24 H new ATOM 0 HA LYS A 125 5.484 -0.388 -8.014 1.00 0.28 H new ATOM 0 HB2 LYS A 125 6.062 0.295 -10.315 1.00 0.40 H new ATOM 0 HB3 LYS A 125 6.632 1.850 -9.742 1.00 0.40 H new ATOM 0 HG2 LYS A 125 8.546 0.440 -10.181 1.00 1.21 H new ATOM 0 HG3 LYS A 125 8.433 0.700 -8.452 1.00 1.21 H new ATOM 0 HD2 LYS A 125 7.188 -1.518 -8.292 1.00 1.31 H new ATOM 0 HD3 LYS A 125 7.562 -1.778 -9.984 1.00 1.31 H new ATOM 0 HE2 LYS A 125 9.599 -1.364 -7.759 1.00 1.41 H new ATOM 0 HE3 LYS A 125 9.196 -2.900 -8.501 1.00 1.41 H new ATOM 0 HZ1 LYS A 125 10.930 -2.414 -9.804 1.00 1.48 H new ATOM 0 HZ2 LYS A 125 9.829 -1.443 -10.657 1.00 1.48 H new ATOM 0 HZ3 LYS A 125 10.855 -0.745 -9.498 1.00 1.48 H new ATOM 1808 N VAL A 126 6.925 0.466 -6.177 1.00 0.25 N ATOM 1809 CA VAL A 126 7.738 0.944 -5.073 1.00 0.25 C ATOM 1810 C VAL A 126 9.128 0.316 -5.159 1.00 0.30 C ATOM 1811 O VAL A 126 9.284 -0.905 -5.112 1.00 0.45 O ATOM 1812 CB VAL A 126 7.080 0.677 -3.694 1.00 0.42 C ATOM 1813 CG1 VAL A 126 6.673 -0.777 -3.535 1.00 1.10 C ATOM 1814 CG2 VAL A 126 8.005 1.096 -2.563 1.00 1.11 C ATOM 0 H VAL A 126 6.841 -0.549 -6.230 1.00 0.25 H new ATOM 0 HA VAL A 126 7.826 2.027 -5.159 1.00 0.25 H new ATOM 0 HB VAL A 126 6.174 1.281 -3.646 1.00 0.42 H new ATOM 0 HG11 VAL A 126 6.216 -0.922 -2.556 1.00 1.10 H new ATOM 0 HG12 VAL A 126 5.956 -1.041 -4.313 1.00 1.10 H new ATOM 0 HG13 VAL A 126 7.554 -1.413 -3.622 1.00 1.10 H new ATOM 0 HG21 VAL A 126 7.522 0.899 -1.606 1.00 1.11 H new ATOM 0 HG22 VAL A 126 8.934 0.529 -2.624 1.00 1.11 H new ATOM 0 HG23 VAL A 126 8.223 2.161 -2.647 1.00 1.11 H new ATOM 1824 N THR A 127 10.133 1.159 -5.313 1.00 0.35 N ATOM 1825 CA THR A 127 11.474 0.693 -5.611 1.00 0.54 C ATOM 1826 C THR A 127 12.473 1.166 -4.559 1.00 0.45 C ATOM 1827 O THR A 127 12.378 2.285 -4.054 1.00 0.37 O ATOM 1828 CB THR A 127 11.920 1.201 -6.997 1.00 0.76 C ATOM 1829 OG1 THR A 127 10.893 0.945 -7.966 1.00 0.86 O ATOM 1830 CG2 THR A 127 13.211 0.529 -7.436 1.00 0.97 C ATOM 0 H THR A 127 10.045 2.172 -5.236 1.00 0.35 H new ATOM 0 HA THR A 127 11.452 -0.397 -5.607 1.00 0.54 H new ATOM 0 HB THR A 127 12.096 2.274 -6.923 1.00 0.76 H new ATOM 0 HG1 THR A 127 11.182 1.272 -8.843 1.00 0.86 H new ATOM 0 HG21 THR A 127 13.502 0.906 -8.416 1.00 0.97 H new ATOM 0 HG22 THR A 127 13.998 0.747 -6.715 1.00 0.97 H new ATOM 0 HG23 THR A 127 13.059 -0.549 -7.492 1.00 0.97 H new ATOM 1838 N LEU A 128 13.421 0.300 -4.226 1.00 0.52 N ATOM 1839 CA LEU A 128 14.493 0.645 -3.308 1.00 0.49 C ATOM 1840 C LEU A 128 15.551 1.474 -4.030 1.00 0.50 C ATOM 1841 O LEU A 128 15.995 1.114 -5.123 1.00 0.59 O ATOM 1842 CB LEU A 128 15.126 -0.629 -2.744 1.00 0.59 C ATOM 1843 CG LEU A 128 16.201 -0.418 -1.681 1.00 0.73 C ATOM 1844 CD1 LEU A 128 15.578 0.006 -0.363 1.00 0.78 C ATOM 1845 CD2 LEU A 128 17.019 -1.682 -1.500 1.00 1.44 C ATOM 0 H LEU A 128 13.467 -0.654 -4.583 1.00 0.52 H new ATOM 0 HA LEU A 128 14.081 1.232 -2.487 1.00 0.49 H new ATOM 0 HB2 LEU A 128 14.336 -1.248 -2.318 1.00 0.59 H new ATOM 0 HB3 LEU A 128 15.562 -1.192 -3.569 1.00 0.59 H new ATOM 0 HG LEU A 128 16.864 0.380 -2.016 1.00 0.73 H new ATOM 0 HD11 LEU A 128 16.362 0.151 0.380 1.00 0.78 H new ATOM 0 HD12 LEU A 128 15.033 0.940 -0.502 1.00 0.78 H new ATOM 0 HD13 LEU A 128 14.891 -0.768 -0.020 1.00 0.78 H new ATOM 0 HD21 LEU A 128 17.781 -1.516 -0.739 1.00 1.44 H new ATOM 0 HD22 LEU A 128 16.366 -2.497 -1.188 1.00 1.44 H new ATOM 0 HD23 LEU A 128 17.499 -1.943 -2.443 1.00 1.44 H new ATOM 1857 N VAL A 129 15.946 2.582 -3.426 1.00 0.46 N ATOM 1858 CA VAL A 129 16.944 3.458 -4.018 1.00 0.51 C ATOM 1859 C VAL A 129 18.148 3.605 -3.099 1.00 0.50 C ATOM 1860 O VAL A 129 18.046 3.424 -1.882 1.00 0.50 O ATOM 1861 CB VAL A 129 16.376 4.859 -4.341 1.00 0.54 C ATOM 1862 CG1 VAL A 129 15.276 4.765 -5.387 1.00 0.60 C ATOM 1863 CG2 VAL A 129 15.864 5.547 -3.086 1.00 0.50 C ATOM 0 H VAL A 129 15.590 2.897 -2.524 1.00 0.46 H new ATOM 0 HA VAL A 129 17.250 2.991 -4.954 1.00 0.51 H new ATOM 0 HB VAL A 129 17.187 5.463 -4.747 1.00 0.54 H new ATOM 0 HG11 VAL A 129 14.890 5.762 -5.600 1.00 0.60 H new ATOM 0 HG12 VAL A 129 15.679 4.329 -6.301 1.00 0.60 H new ATOM 0 HG13 VAL A 129 14.469 4.136 -5.011 1.00 0.60 H new ATOM 0 HG21 VAL A 129 15.471 6.530 -3.345 1.00 0.50 H new ATOM 0 HG22 VAL A 129 15.072 4.946 -2.639 1.00 0.50 H new ATOM 0 HG23 VAL A 129 16.681 5.659 -2.373 1.00 0.50 H new ATOM 1873 N ASP A 130 19.285 3.923 -3.693 1.00 0.55 N ATOM 1874 CA ASP A 130 20.527 4.090 -2.949 1.00 0.62 C ATOM 1875 C ASP A 130 20.886 5.566 -2.835 1.00 1.17 C ATOM 1876 O ASP A 130 20.263 6.412 -3.483 1.00 2.01 O ATOM 1877 CB ASP A 130 21.665 3.324 -3.635 1.00 0.98 C ATOM 1878 CG ASP A 130 22.996 3.490 -2.926 1.00 1.49 C ATOM 1879 OD1 ASP A 130 23.255 2.750 -1.955 1.00 2.25 O ATOM 1880 OD2 ASP A 130 23.787 4.364 -3.326 1.00 1.87 O1- ATOM 0 H ASP A 130 19.376 4.072 -4.698 1.00 0.55 H new ATOM 0 HA ASP A 130 20.385 3.687 -1.946 1.00 0.62 H new ATOM 0 HB2 ASP A 130 21.410 2.265 -3.677 1.00 0.98 H new ATOM 0 HB3 ASP A 130 21.761 3.670 -4.664 1.00 0.98 H new