USER MOD reduce.3.24.130724 H: found=0, std=0, add=673, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 669 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 16 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 70 LYS NZ :NH3+ 168:sc= 1.56 (180deg=0.978) USER MOD Set 2.1: A 22 ASN : amide:sc= 1.09 K(o=2.3,f=-4.2) USER MOD Set 2.2: A 25 LYS NZ :NH3+ 172:sc= 1.22 (180deg=0) USER MOD Set 3.1: A 10 SER OG : rot 180:sc= 0.0148 USER MOD Set 3.2: A 72 LYS NZ :NH3+ -118:sc= 0.589 (180deg=-0.148) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 ASN : amide:sc= 0.336 K(o=0.34,f=-0.39) USER MOD Single : A 21 GLN : amide:sc= -0.811 X(o=-0.81,f=-0.85) USER MOD Single : A 23 HIS : no HD1:sc=-0.00282 X(o=-0.0028,f=0) USER MOD Single : A 26 ASN : amide:sc= -1.3! K(o=-1.3!,f=0) USER MOD Single : A 27 SER OG : rot 37:sc= 1.02 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= -0.203 X(o=-0.2,f=-0.18) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 156:sc= 1.21 (180deg=1.09) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -0.647 X(o=-0.65,f=-0.47) USER MOD Single : A 58 MET CE :methyl 179:sc= -0.262 (180deg=-0.285) USER MOD Single : A 64 GLN : amide:sc= 0.909 K(o=0.91,f=-2) USER MOD Single : A 65 HIS : no HD1:sc= 0.151 K(o=0.15,f=-7!) USER MOD Single : A 67 THR OG1 : rot -86:sc= 0.549 USER MOD Single : A 73 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0139) USER MOD Single : A 75 ASN : amide:sc= -2.18! K(o=-2.2!,f=0.22) USER MOD Single : A 79 THR OG1 : rot -4:sc= 0.293 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -14.679 11.957 2.366 1.00 65.43 N ATOM 2 CA GLY A 1 -15.348 11.497 1.146 1.00 11.22 C ATOM 3 C GLY A 1 -15.767 10.052 1.291 1.00 2.21 C ATOM 4 O GLY A 1 -16.681 9.766 2.070 1.00 53.35 O ATOM 0 H1 GLY A 1 -14.396 12.951 2.253 1.00 65.43 H new ATOM 0 H2 GLY A 1 -15.330 11.872 3.172 1.00 65.43 H new ATOM 0 H3 GLY A 1 -13.835 11.375 2.540 1.00 65.43 H new ATOM 0 HA2 GLY A 1 -16.221 12.118 0.946 1.00 11.22 H new ATOM 0 HA3 GLY A 1 -14.678 11.605 0.293 1.00 11.22 H new ATOM 8 N ASN A 2 -15.166 9.147 0.516 1.00 0.52 N ATOM 9 CA ASN A 2 -15.452 7.715 0.550 1.00 70.13 C ATOM 10 C ASN A 2 -14.222 6.922 0.118 1.00 63.10 C ATOM 11 O ASN A 2 -14.298 6.111 -0.802 1.00 50.12 O ATOM 12 CB ASN A 2 -16.707 7.329 -0.262 1.00 35.31 C ATOM 13 CG ASN A 2 -16.802 7.935 -1.658 1.00 61.15 C ATOM 14 OD1 ASN A 2 -17.754 8.654 -1.951 1.00 53.54 O ATOM 15 ND2 ASN A 2 -15.872 7.680 -2.558 1.00 50.04 N ATOM 0 H ASN A 2 -14.451 9.397 -0.167 1.00 0.52 H new ATOM 0 HA ASN A 2 -15.686 7.454 1.582 1.00 70.13 H new ATOM 0 HB2 ASN A 2 -16.738 6.243 -0.354 1.00 35.31 H new ATOM 0 HB3 ASN A 2 -17.590 7.626 0.304 1.00 35.31 H new ATOM 0 HD21 ASN A 2 -15.945 8.079 -3.494 1.00 50.04 H new ATOM 0 HD22 ASN A 2 -15.080 7.083 -2.318 1.00 50.04 H new ATOM 22 N ARG A 3 -13.059 7.167 0.724 1.00 11.31 N ATOM 23 CA ARG A 3 -11.829 6.443 0.390 1.00 53.41 C ATOM 24 C ARG A 3 -10.922 6.375 1.608 1.00 31.15 C ATOM 25 O ARG A 3 -11.107 7.150 2.544 1.00 1.32 O ATOM 26 CB ARG A 3 -11.174 7.040 -0.875 1.00 11.14 C ATOM 27 CG ARG A 3 -10.614 8.462 -0.800 1.00 51.53 C ATOM 28 CD ARG A 3 -9.141 8.503 -0.398 1.00 25.53 C ATOM 29 NE ARG A 3 -8.549 9.798 -0.766 1.00 61.15 N ATOM 30 CZ ARG A 3 -8.256 10.846 0.011 1.00 42.14 C ATOM 31 NH1 ARG A 3 -8.477 10.853 1.316 1.00 72.41 N ATOM 32 NH2 ARG A 3 -7.712 11.920 -0.536 1.00 54.05 N ATOM 0 H ARG A 3 -12.942 7.868 1.456 1.00 11.31 H new ATOM 0 HA ARG A 3 -12.054 5.409 0.130 1.00 53.41 H new ATOM 0 HB2 ARG A 3 -10.361 6.378 -1.172 1.00 11.14 H new ATOM 0 HB3 ARG A 3 -11.914 7.016 -1.675 1.00 11.14 H new ATOM 0 HG2 ARG A 3 -10.734 8.945 -1.770 1.00 51.53 H new ATOM 0 HG3 ARG A 3 -11.197 9.039 -0.082 1.00 51.53 H new ATOM 0 HD2 ARG A 3 -9.045 8.343 0.676 1.00 25.53 H new ATOM 0 HD3 ARG A 3 -8.600 7.695 -0.890 1.00 25.53 H new ATOM 0 HE ARG A 3 -8.331 9.913 -1.756 1.00 61.15 H new ATOM 0 HH11 ARG A 3 -8.887 10.036 1.768 1.00 72.41 H new ATOM 0 HH12 ARG A 3 -8.237 11.676 1.869 1.00 72.41 H new ATOM 0 HH21 ARG A 3 -7.521 11.941 -1.538 1.00 54.05 H new ATOM 0 HH22 ARG A 3 -7.483 12.727 0.044 1.00 54.05 H new ATOM 46 N PHE A 4 -9.933 5.492 1.594 1.00 31.32 N ATOM 47 CA PHE A 4 -8.975 5.286 2.678 1.00 50.21 C ATOM 48 C PHE A 4 -7.577 5.232 2.085 1.00 11.41 C ATOM 49 O PHE A 4 -7.423 5.147 0.861 1.00 23.23 O ATOM 50 CB PHE A 4 -9.319 3.996 3.432 1.00 51.22 C ATOM 51 CG PHE A 4 -10.695 3.982 4.064 1.00 25.23 C ATOM 52 CD1 PHE A 4 -10.883 4.541 5.339 1.00 74.41 C ATOM 53 CD2 PHE A 4 -11.780 3.388 3.393 1.00 63.34 C ATOM 54 CE1 PHE A 4 -12.155 4.521 5.937 1.00 61.41 C ATOM 55 CE2 PHE A 4 -13.044 3.341 4.005 1.00 43.01 C ATOM 56 CZ PHE A 4 -13.234 3.916 5.271 1.00 13.33 C ATOM 0 H PHE A 4 -9.767 4.875 0.799 1.00 31.32 H new ATOM 0 HA PHE A 4 -9.020 6.108 3.393 1.00 50.21 H new ATOM 0 HB2 PHE A 4 -9.242 3.156 2.742 1.00 51.22 H new ATOM 0 HB3 PHE A 4 -8.574 3.837 4.212 1.00 51.22 H new ATOM 0 HD1 PHE A 4 -10.049 4.987 5.861 1.00 74.41 H new ATOM 0 HD2 PHE A 4 -11.641 2.968 2.408 1.00 63.34 H new ATOM 0 HE1 PHE A 4 -12.303 4.970 6.908 1.00 61.41 H new ATOM 0 HE2 PHE A 4 -13.870 2.862 3.501 1.00 43.01 H new ATOM 0 HZ PHE A 4 -14.210 3.893 5.733 1.00 13.33 H new ATOM 66 N ILE A 5 -6.561 5.346 2.942 1.00 53.24 N ATOM 67 CA ILE A 5 -5.167 5.352 2.525 1.00 32.40 C ATOM 68 C ILE A 5 -4.368 4.428 3.444 1.00 10.34 C ATOM 69 O ILE A 5 -4.664 4.291 4.631 1.00 61.01 O ATOM 70 CB ILE A 5 -4.647 6.816 2.541 1.00 74.24 C ATOM 71 CG1 ILE A 5 -5.514 7.777 1.684 1.00 54.33 C ATOM 72 CG2 ILE A 5 -3.191 6.903 2.035 1.00 50.22 C ATOM 73 CD1 ILE A 5 -5.445 9.227 2.147 1.00 63.34 C ATOM 0 H ILE A 5 -6.688 5.437 3.950 1.00 53.24 H new ATOM 0 HA ILE A 5 -5.053 4.974 1.509 1.00 32.40 H new ATOM 0 HB ILE A 5 -4.705 7.129 3.584 1.00 74.24 H new ATOM 0 HG12 ILE A 5 -5.189 7.719 0.645 1.00 54.33 H new ATOM 0 HG13 ILE A 5 -6.551 7.443 1.713 1.00 54.33 H new ATOM 0 HG21 ILE A 5 -2.859 7.941 2.059 1.00 50.22 H new ATOM 0 HG22 ILE A 5 -2.547 6.301 2.675 1.00 50.22 H new ATOM 0 HG23 ILE A 5 -3.138 6.529 1.013 1.00 50.22 H new ATOM 0 HD11 ILE A 5 -6.074 9.844 1.505 1.00 63.34 H new ATOM 0 HD12 ILE A 5 -5.797 9.298 3.176 1.00 63.34 H new ATOM 0 HD13 ILE A 5 -4.415 9.578 2.092 1.00 63.34 H new ATOM 85 N VAL A 6 -3.325 3.808 2.912 1.00 73.22 N ATOM 86 CA VAL A 6 -2.438 2.911 3.627 1.00 1.10 C ATOM 87 C VAL A 6 -1.036 3.503 3.482 1.00 15.53 C ATOM 88 O VAL A 6 -0.610 3.868 2.377 1.00 25.23 O ATOM 89 CB VAL A 6 -2.580 1.476 3.085 1.00 51.30 C ATOM 90 CG1 VAL A 6 -1.658 0.512 3.830 1.00 45.15 C ATOM 91 CG2 VAL A 6 -4.025 0.968 3.222 1.00 1.32 C ATOM 0 H VAL A 6 -3.066 3.922 1.932 1.00 73.22 H new ATOM 0 HA VAL A 6 -2.678 2.827 4.687 1.00 1.10 H new ATOM 0 HB VAL A 6 -2.303 1.510 2.031 1.00 51.30 H new ATOM 0 HG11 VAL A 6 -1.780 -0.493 3.426 1.00 45.15 H new ATOM 0 HG12 VAL A 6 -0.623 0.830 3.706 1.00 45.15 H new ATOM 0 HG13 VAL A 6 -1.913 0.511 4.890 1.00 45.15 H new ATOM 0 HG21 VAL A 6 -4.092 -0.047 2.831 1.00 1.32 H new ATOM 0 HG22 VAL A 6 -4.314 0.972 4.273 1.00 1.32 H new ATOM 0 HG23 VAL A 6 -4.694 1.619 2.659 1.00 1.32 H new ATOM 101 N PHE A 7 -0.379 3.694 4.622 1.00 3.32 N ATOM 102 CA PHE A 7 0.963 4.226 4.741 1.00 34.00 C ATOM 103 C PHE A 7 1.929 3.052 4.719 1.00 3.45 C ATOM 104 O PHE A 7 1.665 2.045 5.380 1.00 63.40 O ATOM 105 CB PHE A 7 1.108 4.920 6.101 1.00 4.22 C ATOM 106 CG PHE A 7 2.475 5.541 6.322 1.00 41.31 C ATOM 107 CD1 PHE A 7 2.938 6.556 5.465 1.00 32.01 C ATOM 108 CD2 PHE A 7 3.312 5.080 7.355 1.00 31.50 C ATOM 109 CE1 PHE A 7 4.214 7.108 5.644 1.00 41.40 C ATOM 110 CE2 PHE A 7 4.573 5.653 7.560 1.00 62.15 C ATOM 111 CZ PHE A 7 5.020 6.669 6.706 1.00 41.43 C ATOM 0 H PHE A 7 -0.792 3.470 5.527 1.00 3.32 H new ATOM 0 HA PHE A 7 1.164 4.929 3.933 1.00 34.00 H new ATOM 0 HB2 PHE A 7 0.347 5.696 6.187 1.00 4.22 H new ATOM 0 HB3 PHE A 7 0.915 4.195 6.892 1.00 4.22 H new ATOM 0 HD1 PHE A 7 2.307 6.912 4.664 1.00 32.01 H new ATOM 0 HD2 PHE A 7 2.979 4.277 7.996 1.00 31.50 H new ATOM 0 HE1 PHE A 7 4.576 7.868 4.967 1.00 41.40 H new ATOM 0 HE2 PHE A 7 5.198 5.313 8.373 1.00 62.15 H new ATOM 0 HZ PHE A 7 5.990 7.117 6.865 1.00 41.43 H new ATOM 121 N VAL A 8 3.044 3.175 4.001 1.00 70.02 N ATOM 122 CA VAL A 8 4.055 2.134 3.923 1.00 50.25 C ATOM 123 C VAL A 8 5.411 2.832 3.995 1.00 42.14 C ATOM 124 O VAL A 8 5.624 3.754 3.209 1.00 74.42 O ATOM 125 CB VAL A 8 3.889 1.278 2.646 1.00 22.30 C ATOM 126 CG1 VAL A 8 4.757 0.010 2.690 1.00 25.15 C ATOM 127 CG2 VAL A 8 2.439 0.835 2.397 1.00 72.32 C ATOM 0 H VAL A 8 3.268 4.007 3.455 1.00 70.02 H new ATOM 0 HA VAL A 8 3.958 1.428 4.748 1.00 50.25 H new ATOM 0 HB VAL A 8 4.207 1.933 1.835 1.00 22.30 H new ATOM 0 HG11 VAL A 8 4.611 -0.563 1.774 1.00 25.15 H new ATOM 0 HG12 VAL A 8 5.807 0.290 2.779 1.00 25.15 H new ATOM 0 HG13 VAL A 8 4.470 -0.598 3.548 1.00 25.15 H new ATOM 0 HG21 VAL A 8 2.392 0.238 1.486 1.00 72.32 H new ATOM 0 HG22 VAL A 8 2.091 0.238 3.240 1.00 72.32 H new ATOM 0 HG23 VAL A 8 1.804 1.714 2.288 1.00 72.32 H new ATOM 137 N GLY A 9 6.316 2.460 4.910 1.00 1.25 N ATOM 138 CA GLY A 9 7.640 3.083 5.023 1.00 4.20 C ATOM 139 C GLY A 9 8.735 2.042 5.237 1.00 21.22 C ATOM 140 O GLY A 9 8.450 0.846 5.326 1.00 32.25 O ATOM 0 H GLY A 9 6.150 1.719 5.592 1.00 1.25 H new ATOM 0 HA2 GLY A 9 7.852 3.654 4.119 1.00 4.20 H new ATOM 0 HA3 GLY A 9 7.641 3.789 5.854 1.00 4.20 H new ATOM 144 N SER A 10 9.987 2.506 5.285 1.00 65.14 N ATOM 145 CA SER A 10 11.222 1.729 5.446 1.00 61.12 C ATOM 146 C SER A 10 11.614 1.097 4.097 1.00 32.22 C ATOM 147 O SER A 10 12.380 0.135 4.048 1.00 2.44 O ATOM 148 CB SER A 10 11.079 0.690 6.575 1.00 22.35 C ATOM 149 OG SER A 10 12.298 0.512 7.281 1.00 75.11 O ATOM 0 H SER A 10 10.179 3.505 5.207 1.00 65.14 H new ATOM 0 HA SER A 10 12.033 2.392 5.748 1.00 61.12 H new ATOM 0 HB2 SER A 10 10.300 1.010 7.268 1.00 22.35 H new ATOM 0 HB3 SER A 10 10.759 -0.263 6.154 1.00 22.35 H new ATOM 0 HG SER A 10 12.171 -0.152 7.990 1.00 75.11 H new ATOM 155 N LEU A 11 11.088 1.613 2.982 1.00 22.05 N ATOM 156 CA LEU A 11 11.333 1.095 1.641 1.00 42.22 C ATOM 157 C LEU A 11 12.800 1.210 1.217 1.00 42.13 C ATOM 158 O LEU A 11 13.434 2.225 1.522 1.00 11.44 O ATOM 159 CB LEU A 11 10.422 1.794 0.619 1.00 35.22 C ATOM 160 CG LEU A 11 8.976 1.264 0.633 1.00 52.03 C ATOM 161 CD1 LEU A 11 8.259 1.453 1.971 1.00 31.21 C ATOM 162 CD2 LEU A 11 8.143 2.038 -0.382 1.00 4.12 C ATOM 0 H LEU A 11 10.466 2.421 2.992 1.00 22.05 H new ATOM 0 HA LEU A 11 11.096 0.031 1.668 1.00 42.22 H new ATOM 0 HB2 LEU A 11 10.412 2.865 0.824 1.00 35.22 H new ATOM 0 HB3 LEU A 11 10.840 1.664 -0.379 1.00 35.22 H new ATOM 0 HG LEU A 11 9.059 0.199 0.415 1.00 52.03 H new ATOM 0 HD11 LEU A 11 7.247 1.055 1.901 1.00 31.21 H new ATOM 0 HD12 LEU A 11 8.803 0.924 2.753 1.00 31.21 H new ATOM 0 HD13 LEU A 11 8.215 2.515 2.214 1.00 31.21 H new ATOM 0 HD21 LEU A 11 7.119 1.664 -0.373 1.00 4.12 H new ATOM 0 HD22 LEU A 11 8.145 3.097 -0.123 1.00 4.12 H new ATOM 0 HD23 LEU A 11 8.568 1.908 -1.377 1.00 4.12 H new ATOM 174 N PRO A 12 13.330 0.218 0.474 1.00 24.10 N ATOM 175 CA PRO A 12 14.713 0.213 -0.002 1.00 21.33 C ATOM 176 C PRO A 12 14.963 1.328 -1.015 1.00 53.34 C ATOM 177 O PRO A 12 14.018 1.844 -1.615 1.00 43.00 O ATOM 178 CB PRO A 12 14.924 -1.148 -0.685 1.00 22.15 C ATOM 179 CG PRO A 12 13.530 -1.717 -0.924 1.00 33.45 C ATOM 180 CD PRO A 12 12.631 -0.996 0.074 1.00 24.13 C ATOM 0 HA PRO A 12 15.399 0.374 0.830 1.00 21.33 H new ATOM 0 HB2 PRO A 12 15.465 -1.034 -1.624 1.00 22.15 H new ATOM 0 HB3 PRO A 12 15.515 -1.813 -0.055 1.00 22.15 H new ATOM 0 HG2 PRO A 12 13.203 -1.541 -1.949 1.00 33.45 H new ATOM 0 HG3 PRO A 12 13.511 -2.795 -0.764 1.00 33.45 H new ATOM 0 HD2 PRO A 12 11.668 -0.756 -0.377 1.00 24.13 H new ATOM 0 HD3 PRO A 12 12.429 -1.628 0.939 1.00 24.13 H new ATOM 188 N ARG A 13 16.224 1.705 -1.244 1.00 42.13 N ATOM 189 CA ARG A 13 16.547 2.744 -2.229 1.00 31.11 C ATOM 190 C ARG A 13 16.144 2.247 -3.620 1.00 15.14 C ATOM 191 O ARG A 13 15.503 2.981 -4.371 1.00 12.21 O ATOM 192 CB ARG A 13 18.028 3.116 -2.219 1.00 52.33 C ATOM 193 CG ARG A 13 18.419 4.366 -1.417 1.00 14.44 C ATOM 194 CD ARG A 13 18.543 4.134 0.098 1.00 74.23 C ATOM 195 NE ARG A 13 19.516 5.061 0.706 1.00 53.50 N ATOM 196 CZ ARG A 13 20.850 4.994 0.574 1.00 12.13 C ATOM 197 NH1 ARG A 13 21.439 3.941 0.017 1.00 65.40 N ATOM 198 NH2 ARG A 13 21.614 5.997 0.981 1.00 12.42 N ATOM 0 H ARG A 13 17.034 1.310 -0.765 1.00 42.13 H new ATOM 0 HA ARG A 13 15.992 3.644 -1.966 1.00 31.11 H new ATOM 0 HB2 ARG A 13 18.589 2.269 -1.824 1.00 52.33 H new ATOM 0 HB3 ARG A 13 18.350 3.259 -3.250 1.00 52.33 H new ATOM 0 HG2 ARG A 13 19.370 4.742 -1.794 1.00 14.44 H new ATOM 0 HG3 ARG A 13 17.676 5.144 -1.594 1.00 14.44 H new ATOM 0 HD2 ARG A 13 17.569 4.266 0.569 1.00 74.23 H new ATOM 0 HD3 ARG A 13 18.851 3.106 0.286 1.00 74.23 H new ATOM 0 HE ARG A 13 19.142 5.819 1.277 1.00 53.50 H new ATOM 0 HH11 ARG A 13 20.875 3.161 -0.321 1.00 65.40 H new ATOM 0 HH12 ARG A 13 22.455 3.913 -0.072 1.00 65.40 H new ATOM 0 HH21 ARG A 13 21.189 6.826 1.397 1.00 12.42 H new ATOM 0 HH22 ARG A 13 22.627 5.941 0.878 1.00 12.42 H new ATOM 212 N ASP A 14 16.467 0.984 -3.919 1.00 42.40 N ATOM 213 CA ASP A 14 16.197 0.289 -5.184 1.00 3.21 C ATOM 214 C ASP A 14 14.723 -0.079 -5.394 1.00 62.31 C ATOM 215 O ASP A 14 14.399 -0.873 -6.279 1.00 22.54 O ATOM 216 CB ASP A 14 17.135 -0.924 -5.350 1.00 13.14 C ATOM 217 CG ASP A 14 18.100 -0.660 -6.505 1.00 1.21 C ATOM 218 OD1 ASP A 14 19.128 -0.004 -6.225 1.00 23.55 O ATOM 219 OD2 ASP A 14 17.790 -1.013 -7.668 1.00 2.21 O ATOM 0 H ASP A 14 16.950 0.386 -3.249 1.00 42.40 H new ATOM 0 HA ASP A 14 16.415 1.002 -5.979 1.00 3.21 H new ATOM 0 HB2 ASP A 14 17.691 -1.097 -4.429 1.00 13.14 H new ATOM 0 HB3 ASP A 14 16.553 -1.825 -5.546 1.00 13.14 H new ATOM 224 N ILE A 15 13.811 0.411 -4.549 1.00 14.44 N ATOM 225 CA ILE A 15 12.387 0.135 -4.691 1.00 10.24 C ATOM 226 C ILE A 15 11.897 0.619 -6.064 1.00 1.10 C ATOM 227 O ILE A 15 12.247 1.720 -6.500 1.00 12.31 O ATOM 228 CB ILE A 15 11.601 0.762 -3.527 1.00 61.52 C ATOM 229 CG1 ILE A 15 10.125 0.314 -3.558 1.00 60.45 C ATOM 230 CG2 ILE A 15 11.688 2.294 -3.518 1.00 32.40 C ATOM 231 CD1 ILE A 15 9.948 -1.127 -3.096 1.00 32.23 C ATOM 0 H ILE A 15 14.042 1.006 -3.753 1.00 14.44 H new ATOM 0 HA ILE A 15 12.214 -0.940 -4.644 1.00 10.24 H new ATOM 0 HB ILE A 15 12.065 0.404 -2.608 1.00 61.52 H new ATOM 0 HG12 ILE A 15 9.534 0.972 -2.921 1.00 60.45 H new ATOM 0 HG13 ILE A 15 9.737 0.419 -4.571 1.00 60.45 H new ATOM 0 HG21 ILE A 15 11.116 2.686 -2.677 1.00 32.40 H new ATOM 0 HG22 ILE A 15 12.730 2.599 -3.422 1.00 32.40 H new ATOM 0 HG23 ILE A 15 11.279 2.687 -4.449 1.00 32.40 H new ATOM 0 HD11 ILE A 15 8.892 -1.395 -3.136 1.00 32.23 H new ATOM 0 HD12 ILE A 15 10.516 -1.791 -3.748 1.00 32.23 H new ATOM 0 HD13 ILE A 15 10.310 -1.228 -2.073 1.00 32.23 H new ATOM 243 N THR A 16 11.035 -0.165 -6.710 1.00 21.02 N ATOM 244 CA THR A 16 10.485 0.144 -8.019 1.00 5.51 C ATOM 245 C THR A 16 8.961 0.034 -7.978 1.00 22.34 C ATOM 246 O THR A 16 8.415 -0.787 -7.234 1.00 55.13 O ATOM 247 CB THR A 16 11.084 -0.815 -9.075 1.00 64.21 C ATOM 248 OG1 THR A 16 12.161 -1.595 -8.567 1.00 2.43 O ATOM 249 CG2 THR A 16 11.560 -0.049 -10.304 1.00 53.04 C ATOM 0 H THR A 16 10.696 -1.048 -6.327 1.00 21.02 H new ATOM 0 HA THR A 16 10.746 1.165 -8.296 1.00 5.51 H new ATOM 0 HB THR A 16 10.278 -1.495 -9.351 1.00 64.21 H new ATOM 0 HG1 THR A 16 12.501 -2.183 -9.273 1.00 2.43 H new ATOM 0 HG21 THR A 16 11.976 -0.748 -11.030 1.00 53.04 H new ATOM 0 HG22 THR A 16 10.719 0.480 -10.751 1.00 53.04 H new ATOM 0 HG23 THR A 16 12.326 0.669 -10.011 1.00 53.04 H new ATOM 257 N ALA A 17 8.272 0.815 -8.813 1.00 35.22 N ATOM 258 CA ALA A 17 6.819 0.811 -8.923 1.00 12.10 C ATOM 259 C ALA A 17 6.320 -0.571 -9.356 1.00 4.23 C ATOM 260 O ALA A 17 5.235 -0.974 -8.948 1.00 20.43 O ATOM 261 CB ALA A 17 6.386 1.862 -9.943 1.00 75.42 C ATOM 0 H ALA A 17 8.721 1.480 -9.443 1.00 35.22 H new ATOM 0 HA ALA A 17 6.388 1.046 -7.950 1.00 12.10 H new ATOM 0 HB1 ALA A 17 5.299 1.861 -10.027 1.00 75.42 H new ATOM 0 HB2 ALA A 17 6.724 2.846 -9.618 1.00 75.42 H new ATOM 0 HB3 ALA A 17 6.825 1.630 -10.913 1.00 75.42 H new ATOM 267 N VAL A 18 7.122 -1.301 -10.136 1.00 10.34 N ATOM 268 CA VAL A 18 6.809 -2.637 -10.621 1.00 43.14 C ATOM 269 C VAL A 18 6.645 -3.583 -9.436 1.00 70.30 C ATOM 270 O VAL A 18 5.723 -4.405 -9.423 1.00 40.22 O ATOM 271 CB VAL A 18 7.950 -3.123 -11.551 1.00 30.32 C ATOM 272 CG1 VAL A 18 7.726 -4.553 -12.072 1.00 30.14 C ATOM 273 CG2 VAL A 18 8.140 -2.182 -12.748 1.00 10.04 C ATOM 0 H VAL A 18 8.031 -0.964 -10.453 1.00 10.34 H new ATOM 0 HA VAL A 18 5.876 -2.620 -11.185 1.00 43.14 H new ATOM 0 HB VAL A 18 8.849 -3.120 -10.935 1.00 30.32 H new ATOM 0 HG11 VAL A 18 8.556 -4.839 -12.718 1.00 30.14 H new ATOM 0 HG12 VAL A 18 7.667 -5.242 -11.230 1.00 30.14 H new ATOM 0 HG13 VAL A 18 6.796 -4.592 -12.639 1.00 30.14 H new ATOM 0 HG21 VAL A 18 8.948 -2.554 -13.378 1.00 10.04 H new ATOM 0 HG22 VAL A 18 7.218 -2.140 -13.327 1.00 10.04 H new ATOM 0 HG23 VAL A 18 8.390 -1.183 -12.390 1.00 10.04 H new ATOM 283 N GLU A 19 7.546 -3.472 -8.457 1.00 21.21 N ATOM 284 CA GLU A 19 7.564 -4.295 -7.263 1.00 41.21 C ATOM 285 C GLU A 19 6.327 -3.953 -6.437 1.00 64.41 C ATOM 286 O GLU A 19 5.661 -4.846 -5.928 1.00 50.24 O ATOM 287 CB GLU A 19 8.855 -4.036 -6.468 1.00 23.00 C ATOM 288 CG GLU A 19 10.146 -4.034 -7.305 1.00 40.23 C ATOM 289 CD GLU A 19 10.714 -5.406 -7.691 1.00 42.02 C ATOM 290 OE1 GLU A 19 9.981 -6.314 -8.134 1.00 20.21 O ATOM 291 OE2 GLU A 19 11.957 -5.555 -7.592 1.00 53.10 O ATOM 0 H GLU A 19 8.300 -2.786 -8.481 1.00 21.21 H new ATOM 0 HA GLU A 19 7.546 -5.354 -7.522 1.00 41.21 H new ATOM 0 HB2 GLU A 19 8.766 -3.074 -5.963 1.00 23.00 H new ATOM 0 HB3 GLU A 19 8.944 -4.796 -5.692 1.00 23.00 H new ATOM 0 HG2 GLU A 19 9.958 -3.473 -8.220 1.00 40.23 H new ATOM 0 HG3 GLU A 19 10.912 -3.492 -6.750 1.00 40.23 H new ATOM 298 N LEU A 20 6.004 -2.660 -6.334 1.00 74.23 N ATOM 299 CA LEU A 20 4.859 -2.142 -5.601 1.00 2.45 C ATOM 300 C LEU A 20 3.564 -2.676 -6.192 1.00 34.43 C ATOM 301 O LEU A 20 2.750 -3.230 -5.452 1.00 0.44 O ATOM 302 CB LEU A 20 4.903 -0.601 -5.614 1.00 32.11 C ATOM 303 CG LEU A 20 5.115 0.042 -4.234 1.00 42.05 C ATOM 304 CD1 LEU A 20 6.387 -0.458 -3.542 1.00 63.11 C ATOM 305 CD2 LEU A 20 5.274 1.548 -4.435 1.00 32.24 C ATOM 0 H LEU A 20 6.556 -1.925 -6.776 1.00 74.23 H new ATOM 0 HA LEU A 20 4.901 -2.478 -4.565 1.00 2.45 H new ATOM 0 HB2 LEU A 20 5.705 -0.279 -6.278 1.00 32.11 H new ATOM 0 HB3 LEU A 20 3.970 -0.227 -6.036 1.00 32.11 H new ATOM 0 HG LEU A 20 4.258 -0.217 -3.612 1.00 42.05 H new ATOM 0 HD11 LEU A 20 6.488 0.028 -2.572 1.00 63.11 H new ATOM 0 HD12 LEU A 20 6.325 -1.537 -3.403 1.00 63.11 H new ATOM 0 HD13 LEU A 20 7.254 -0.221 -4.159 1.00 63.11 H new ATOM 0 HD21 LEU A 20 5.426 2.030 -3.469 1.00 32.24 H new ATOM 0 HD22 LEU A 20 6.134 1.741 -5.076 1.00 32.24 H new ATOM 0 HD23 LEU A 20 4.375 1.949 -4.903 1.00 32.24 H new ATOM 317 N GLN A 21 3.362 -2.509 -7.503 1.00 23.41 N ATOM 318 CA GLN A 21 2.168 -2.997 -8.172 1.00 30.04 C ATOM 319 C GLN A 21 2.083 -4.502 -7.930 1.00 41.32 C ATOM 320 O GLN A 21 1.032 -4.979 -7.520 1.00 62.45 O ATOM 321 CB GLN A 21 2.213 -2.676 -9.680 1.00 2.50 C ATOM 322 CG GLN A 21 1.866 -1.209 -10.006 1.00 71.23 C ATOM 323 CD GLN A 21 0.396 -0.925 -10.367 1.00 72.44 C ATOM 324 OE1 GLN A 21 0.097 0.075 -11.020 1.00 72.13 O ATOM 325 NE2 GLN A 21 -0.578 -1.702 -9.923 1.00 52.42 N ATOM 0 H GLN A 21 4.021 -2.034 -8.120 1.00 23.41 H new ATOM 0 HA GLN A 21 1.282 -2.505 -7.772 1.00 30.04 H new ATOM 0 HB2 GLN A 21 3.209 -2.899 -10.062 1.00 2.50 H new ATOM 0 HB3 GLN A 21 1.517 -3.331 -10.204 1.00 2.50 H new ATOM 0 HG2 GLN A 21 2.133 -0.594 -9.147 1.00 71.23 H new ATOM 0 HG3 GLN A 21 2.492 -0.885 -10.837 1.00 71.23 H new ATOM 0 HE21 GLN A 21 -0.357 -2.536 -9.380 1.00 52.42 H new ATOM 0 HE22 GLN A 21 -1.550 -1.467 -10.124 1.00 52.42 H new ATOM 334 N ASN A 22 3.183 -5.234 -8.114 1.00 53.25 N ATOM 335 CA ASN A 22 3.210 -6.679 -7.933 1.00 3.12 C ATOM 336 C ASN A 22 2.900 -7.131 -6.505 1.00 40.54 C ATOM 337 O ASN A 22 2.162 -8.098 -6.322 1.00 0.25 O ATOM 338 CB ASN A 22 4.568 -7.229 -8.373 1.00 64.12 C ATOM 339 CG ASN A 22 4.650 -8.712 -8.063 1.00 5.02 C ATOM 340 OD1 ASN A 22 3.908 -9.520 -8.617 1.00 54.01 O ATOM 341 ND2 ASN A 22 5.553 -9.117 -7.194 1.00 54.14 N ATOM 0 H ASN A 22 4.080 -4.837 -8.393 1.00 53.25 H new ATOM 0 HA ASN A 22 2.413 -7.082 -8.557 1.00 3.12 H new ATOM 0 HB2 ASN A 22 4.708 -7.064 -9.441 1.00 64.12 H new ATOM 0 HB3 ASN A 22 5.369 -6.697 -7.860 1.00 64.12 H new ATOM 0 HD21 ASN A 22 5.641 -10.109 -6.975 1.00 54.14 H new ATOM 0 HD22 ASN A 22 6.164 -8.438 -6.740 1.00 54.14 H new ATOM 348 N HIS A 23 3.440 -6.478 -5.480 1.00 10.11 N ATOM 349 CA HIS A 23 3.186 -6.874 -4.100 1.00 33.31 C ATOM 350 C HIS A 23 1.731 -6.612 -3.724 1.00 42.12 C ATOM 351 O HIS A 23 1.050 -7.511 -3.223 1.00 72.22 O ATOM 352 CB HIS A 23 4.184 -6.219 -3.133 1.00 22.02 C ATOM 353 CG HIS A 23 5.133 -7.249 -2.584 1.00 43.15 C ATOM 354 ND1 HIS A 23 6.302 -7.679 -3.216 1.00 12.10 N ATOM 355 CD2 HIS A 23 4.922 -7.991 -1.460 1.00 23.35 C ATOM 356 CE1 HIS A 23 6.791 -8.646 -2.424 1.00 41.14 C ATOM 357 NE2 HIS A 23 5.981 -8.865 -1.377 1.00 22.51 N ATOM 0 H HIS A 23 4.057 -5.672 -5.580 1.00 10.11 H new ATOM 0 HA HIS A 23 3.347 -7.949 -4.013 1.00 33.31 H new ATOM 0 HB2 HIS A 23 4.743 -5.439 -3.650 1.00 22.02 H new ATOM 0 HB3 HIS A 23 3.646 -5.738 -2.316 1.00 22.02 H new ATOM 0 HD2 HIS A 23 4.092 -7.909 -0.774 1.00 23.35 H new ATOM 0 HE1 HIS A 23 7.714 -9.177 -2.605 1.00 41.14 H new ATOM 0 HE2 HIS A 23 6.126 -9.560 -0.645 1.00 22.51 H new ATOM 365 N PHE A 24 1.208 -5.424 -4.028 1.00 33.05 N ATOM 366 CA PHE A 24 -0.169 -5.054 -3.704 1.00 51.53 C ATOM 367 C PHE A 24 -1.200 -5.497 -4.744 1.00 42.53 C ATOM 368 O PHE A 24 -2.384 -5.219 -4.559 1.00 24.11 O ATOM 369 CB PHE A 24 -0.226 -3.561 -3.369 1.00 72.13 C ATOM 370 CG PHE A 24 0.541 -3.232 -2.101 1.00 62.24 C ATOM 371 CD1 PHE A 24 -0.036 -3.477 -0.840 1.00 34.51 C ATOM 372 CD2 PHE A 24 1.849 -2.721 -2.179 1.00 74.31 C ATOM 373 CE1 PHE A 24 0.670 -3.164 0.335 1.00 61.44 C ATOM 374 CE2 PHE A 24 2.559 -2.410 -1.006 1.00 62.32 C ATOM 375 CZ PHE A 24 1.964 -2.623 0.250 1.00 10.31 C ATOM 0 H PHE A 24 1.729 -4.690 -4.507 1.00 33.05 H new ATOM 0 HA PHE A 24 -0.468 -5.615 -2.819 1.00 51.53 H new ATOM 0 HB2 PHE A 24 0.184 -2.987 -4.200 1.00 72.13 H new ATOM 0 HB3 PHE A 24 -1.266 -3.255 -3.253 1.00 72.13 H new ATOM 0 HD1 PHE A 24 -1.025 -3.907 -0.775 1.00 34.51 H new ATOM 0 HD2 PHE A 24 2.310 -2.567 -3.144 1.00 74.31 H new ATOM 0 HE1 PHE A 24 0.219 -3.339 1.300 1.00 61.44 H new ATOM 0 HE2 PHE A 24 3.559 -2.008 -1.070 1.00 62.32 H new ATOM 0 HZ PHE A 24 2.503 -2.370 1.151 1.00 10.31 H new ATOM 385 N LYS A 25 -0.822 -6.265 -5.769 1.00 13.12 N ATOM 386 CA LYS A 25 -1.705 -6.752 -6.820 1.00 33.03 C ATOM 387 C LYS A 25 -2.954 -7.441 -6.298 1.00 14.14 C ATOM 388 O LYS A 25 -4.042 -7.192 -6.809 1.00 61.30 O ATOM 389 CB LYS A 25 -0.886 -7.636 -7.770 1.00 3.41 C ATOM 390 CG LYS A 25 -0.672 -9.090 -7.329 1.00 35.30 C ATOM 391 CD LYS A 25 0.310 -9.811 -8.257 1.00 61.24 C ATOM 392 CE LYS A 25 0.859 -11.065 -7.565 1.00 51.55 C ATOM 393 NZ LYS A 25 2.045 -11.590 -8.267 1.00 23.22 N ATOM 0 H LYS A 25 0.143 -6.573 -5.890 1.00 13.12 H new ATOM 0 HA LYS A 25 -2.096 -5.896 -7.369 1.00 33.03 H new ATOM 0 HB2 LYS A 25 -1.379 -7.642 -8.742 1.00 3.41 H new ATOM 0 HB3 LYS A 25 0.091 -7.174 -7.911 1.00 3.41 H new ATOM 0 HG2 LYS A 25 -0.293 -9.111 -6.307 1.00 35.30 H new ATOM 0 HG3 LYS A 25 -1.627 -9.616 -7.326 1.00 35.30 H new ATOM 0 HD2 LYS A 25 -0.190 -10.087 -9.186 1.00 61.24 H new ATOM 0 HD3 LYS A 25 1.130 -9.143 -8.522 1.00 61.24 H new ATOM 0 HE2 LYS A 25 1.120 -10.829 -6.533 1.00 51.55 H new ATOM 0 HE3 LYS A 25 0.085 -11.832 -7.531 1.00 51.55 H new ATOM 0 HZ1 LYS A 25 2.473 -12.353 -7.704 1.00 23.22 H new ATOM 0 HZ2 LYS A 25 1.762 -11.963 -9.196 1.00 23.22 H new ATOM 0 HZ3 LYS A 25 2.738 -10.826 -8.397 1.00 23.22 H new ATOM 407 N ASN A 26 -2.837 -8.258 -5.250 1.00 5.52 N ATOM 408 CA ASN A 26 -3.990 -8.963 -4.701 1.00 33.43 C ATOM 409 C ASN A 26 -4.938 -8.023 -3.938 1.00 5.11 C ATOM 410 O ASN A 26 -6.107 -8.355 -3.738 1.00 72.41 O ATOM 411 CB ASN A 26 -3.498 -10.128 -3.836 1.00 63.42 C ATOM 412 CG ASN A 26 -4.482 -11.286 -3.839 1.00 52.33 C ATOM 413 OD1 ASN A 26 -4.175 -12.353 -4.373 1.00 11.02 O ATOM 414 ND2 ASN A 26 -5.657 -11.122 -3.271 1.00 30.11 N ATOM 0 H ASN A 26 -1.958 -8.446 -4.768 1.00 5.52 H new ATOM 0 HA ASN A 26 -4.584 -9.364 -5.522 1.00 33.43 H new ATOM 0 HB2 ASN A 26 -2.531 -10.471 -4.204 1.00 63.42 H new ATOM 0 HB3 ASN A 26 -3.346 -9.783 -2.813 1.00 63.42 H new ATOM 0 HD21 ASN A 26 -6.333 -11.886 -3.267 1.00 30.11 H new ATOM 0 HD22 ASN A 26 -5.892 -10.231 -2.834 1.00 30.11 H new ATOM 421 N SER A 27 -4.439 -6.871 -3.479 1.00 61.11 N ATOM 422 CA SER A 27 -5.201 -5.848 -2.754 1.00 34.32 C ATOM 423 C SER A 27 -5.736 -4.780 -3.718 1.00 41.44 C ATOM 424 O SER A 27 -6.665 -4.068 -3.363 1.00 72.51 O ATOM 425 CB SER A 27 -4.358 -5.216 -1.632 1.00 13.24 C ATOM 426 OG SER A 27 -2.971 -5.229 -1.922 1.00 32.44 O ATOM 0 H SER A 27 -3.460 -6.616 -3.606 1.00 61.11 H new ATOM 0 HA SER A 27 -6.056 -6.335 -2.286 1.00 34.32 H new ATOM 0 HB2 SER A 27 -4.683 -4.188 -1.473 1.00 13.24 H new ATOM 0 HB3 SER A 27 -4.536 -5.754 -0.701 1.00 13.24 H new ATOM 0 HG SER A 27 -2.835 -5.066 -2.879 1.00 32.44 H new ATOM 432 N SER A 28 -5.182 -4.684 -4.930 1.00 1.24 N ATOM 433 CA SER A 28 -5.569 -3.747 -5.981 1.00 41.53 C ATOM 434 C SER A 28 -5.689 -2.282 -5.516 1.00 41.44 C ATOM 435 O SER A 28 -6.799 -1.764 -5.362 1.00 61.33 O ATOM 436 CB SER A 28 -6.875 -4.222 -6.612 1.00 34.32 C ATOM 437 OG SER A 28 -6.866 -5.608 -6.902 1.00 41.40 O ATOM 0 H SER A 28 -4.413 -5.290 -5.216 1.00 1.24 H new ATOM 0 HA SER A 28 -4.763 -3.744 -6.714 1.00 41.53 H new ATOM 0 HB2 SER A 28 -7.702 -4.001 -5.937 1.00 34.32 H new ATOM 0 HB3 SER A 28 -7.055 -3.663 -7.530 1.00 34.32 H new ATOM 0 HG SER A 28 -7.723 -5.864 -7.303 1.00 41.40 H new ATOM 443 N PRO A 29 -4.563 -1.593 -5.276 1.00 44.21 N ATOM 444 CA PRO A 29 -4.583 -0.196 -4.861 1.00 52.43 C ATOM 445 C PRO A 29 -5.141 0.657 -6.001 1.00 74.35 C ATOM 446 O PRO A 29 -5.056 0.280 -7.177 1.00 3.51 O ATOM 447 CB PRO A 29 -3.137 0.142 -4.516 1.00 23.25 C ATOM 448 CG PRO A 29 -2.353 -0.806 -5.422 1.00 24.41 C ATOM 449 CD PRO A 29 -3.199 -2.071 -5.418 1.00 42.00 C ATOM 0 HA PRO A 29 -5.223 -0.004 -4.000 1.00 52.43 H new ATOM 0 HB2 PRO A 29 -2.904 1.187 -4.722 1.00 23.25 H new ATOM 0 HB3 PRO A 29 -2.920 -0.031 -3.462 1.00 23.25 H new ATOM 0 HG2 PRO A 29 -2.240 -0.400 -6.427 1.00 24.41 H new ATOM 0 HG3 PRO A 29 -1.350 -0.991 -5.039 1.00 24.41 H new ATOM 0 HD2 PRO A 29 -3.071 -2.638 -6.340 1.00 42.00 H new ATOM 0 HD3 PRO A 29 -2.922 -2.732 -4.597 1.00 42.00 H new ATOM 457 N ASP A 30 -5.740 1.800 -5.676 1.00 64.53 N ATOM 458 CA ASP A 30 -6.321 2.690 -6.667 1.00 65.40 C ATOM 459 C ASP A 30 -5.263 3.693 -7.072 1.00 0.43 C ATOM 460 O ASP A 30 -5.090 3.964 -8.260 1.00 35.02 O ATOM 461 CB ASP A 30 -7.580 3.383 -6.145 1.00 14.22 C ATOM 462 CG ASP A 30 -8.439 3.742 -7.349 1.00 3.21 C ATOM 463 OD1 ASP A 30 -9.104 2.808 -7.863 1.00 63.40 O ATOM 464 OD2 ASP A 30 -8.400 4.893 -7.831 1.00 4.34 O ATOM 0 H ASP A 30 -5.834 2.132 -4.716 1.00 64.53 H new ATOM 0 HA ASP A 30 -6.638 2.112 -7.535 1.00 65.40 H new ATOM 0 HB2 ASP A 30 -8.126 2.726 -5.467 1.00 14.22 H new ATOM 0 HB3 ASP A 30 -7.319 4.278 -5.580 1.00 14.22 H new ATOM 469 N GLN A 31 -4.486 4.162 -6.095 1.00 41.33 N ATOM 470 CA GLN A 31 -3.410 5.111 -6.286 1.00 22.31 C ATOM 471 C GLN A 31 -2.117 4.506 -5.747 1.00 52.10 C ATOM 472 O GLN A 31 -2.162 3.784 -4.752 1.00 63.31 O ATOM 473 CB GLN A 31 -3.760 6.420 -5.593 1.00 41.45 C ATOM 474 CG GLN A 31 -3.163 7.625 -6.315 1.00 2.00 C ATOM 475 CD GLN A 31 -3.831 7.924 -7.654 1.00 5.03 C ATOM 476 OE1 GLN A 31 -3.157 8.043 -8.673 1.00 1.30 O ATOM 477 NE2 GLN A 31 -5.142 8.038 -7.709 1.00 65.12 N ATOM 0 H GLN A 31 -4.599 3.878 -5.122 1.00 41.33 H new ATOM 0 HA GLN A 31 -3.268 5.327 -7.345 1.00 22.31 H new ATOM 0 HB2 GLN A 31 -4.844 6.526 -5.545 1.00 41.45 H new ATOM 0 HB3 GLN A 31 -3.396 6.395 -4.566 1.00 41.45 H new ATOM 0 HG2 GLN A 31 -3.246 8.502 -5.673 1.00 2.00 H new ATOM 0 HG3 GLN A 31 -2.100 7.450 -6.479 1.00 2.00 H new ATOM 0 HE21 GLN A 31 -5.699 7.938 -6.860 1.00 65.12 H new ATOM 0 HE22 GLN A 31 -5.601 8.226 -8.601 1.00 65.12 H new ATOM 486 N ILE A 32 -0.976 4.813 -6.369 1.00 22.43 N ATOM 487 CA ILE A 32 0.334 4.303 -5.974 1.00 25.10 C ATOM 488 C ILE A 32 1.350 5.433 -6.140 1.00 41.22 C ATOM 489 O ILE A 32 1.674 5.790 -7.278 1.00 74.23 O ATOM 490 CB ILE A 32 0.721 3.071 -6.835 1.00 51.25 C ATOM 491 CG1 ILE A 32 -0.334 1.949 -6.741 1.00 33.55 C ATOM 492 CG2 ILE A 32 2.105 2.506 -6.451 1.00 52.34 C ATOM 493 CD1 ILE A 32 0.040 0.734 -7.589 1.00 4.23 C ATOM 0 H ILE A 32 -0.939 5.435 -7.176 1.00 22.43 H new ATOM 0 HA ILE A 32 0.315 3.975 -4.935 1.00 25.10 H new ATOM 0 HB ILE A 32 0.764 3.428 -7.864 1.00 51.25 H new ATOM 0 HG12 ILE A 32 -0.446 1.644 -5.701 1.00 33.55 H new ATOM 0 HG13 ILE A 32 -1.301 2.333 -7.066 1.00 33.55 H new ATOM 0 HG21 ILE A 32 2.334 1.645 -7.079 1.00 52.34 H new ATOM 0 HG22 ILE A 32 2.865 3.274 -6.597 1.00 52.34 H new ATOM 0 HG23 ILE A 32 2.095 2.199 -5.405 1.00 52.34 H new ATOM 0 HD11 ILE A 32 -0.732 -0.029 -7.491 1.00 4.23 H new ATOM 0 HD12 ILE A 32 0.125 1.032 -8.634 1.00 4.23 H new ATOM 0 HD13 ILE A 32 0.994 0.332 -7.247 1.00 4.23 H new ATOM 505 N ARG A 33 1.827 6.017 -5.038 1.00 30.11 N ATOM 506 CA ARG A 33 2.818 7.089 -5.063 1.00 4.02 C ATOM 507 C ARG A 33 3.977 6.710 -4.148 1.00 54.01 C ATOM 508 O ARG A 33 3.836 6.748 -2.927 1.00 34.43 O ATOM 509 CB ARG A 33 2.198 8.466 -4.748 1.00 74.21 C ATOM 510 CG ARG A 33 2.348 9.434 -5.938 1.00 1.31 C ATOM 511 CD ARG A 33 3.821 9.791 -6.197 1.00 20.03 C ATOM 512 NE ARG A 33 4.009 10.677 -7.355 1.00 31.13 N ATOM 513 CZ ARG A 33 4.557 10.406 -8.547 1.00 61.53 C ATOM 514 NH1 ARG A 33 4.984 9.186 -8.865 1.00 65.44 N ATOM 515 NH2 ARG A 33 4.700 11.385 -9.428 1.00 42.13 N ATOM 0 H ARG A 33 1.532 5.755 -4.097 1.00 30.11 H new ATOM 0 HA ARG A 33 3.212 7.200 -6.073 1.00 4.02 H new ATOM 0 HB2 ARG A 33 1.142 8.345 -4.506 1.00 74.21 H new ATOM 0 HB3 ARG A 33 2.680 8.891 -3.868 1.00 74.21 H new ATOM 0 HG2 ARG A 33 1.921 8.981 -6.832 1.00 1.31 H new ATOM 0 HG3 ARG A 33 1.782 10.344 -5.740 1.00 1.31 H new ATOM 0 HD2 ARG A 33 4.233 10.272 -5.310 1.00 20.03 H new ATOM 0 HD3 ARG A 33 4.388 8.873 -6.354 1.00 20.03 H new ATOM 0 HE ARG A 33 3.675 11.633 -7.234 1.00 31.13 H new ATOM 0 HH11 ARG A 33 4.898 8.424 -8.192 1.00 65.44 H new ATOM 0 HH12 ARG A 33 5.397 9.013 -9.782 1.00 65.44 H new ATOM 0 HH21 ARG A 33 4.395 12.330 -9.195 1.00 42.13 H new ATOM 0 HH22 ARG A 33 5.116 11.194 -10.340 1.00 42.13 H new ATOM 529 N LEU A 34 5.100 6.311 -4.745 1.00 24.53 N ATOM 530 CA LEU A 34 6.342 5.901 -4.090 1.00 74.02 C ATOM 531 C LEU A 34 7.231 7.130 -3.944 1.00 22.41 C ATOM 532 O LEU A 34 7.579 7.744 -4.951 1.00 41.55 O ATOM 533 CB LEU A 34 6.986 4.781 -4.937 1.00 62.23 C ATOM 534 CG LEU A 34 8.361 4.221 -4.493 1.00 0.02 C ATOM 535 CD1 LEU A 34 9.485 5.037 -5.135 1.00 21.12 C ATOM 536 CD2 LEU A 34 8.551 4.208 -2.979 1.00 30.43 C ATOM 0 H LEU A 34 5.171 6.262 -5.761 1.00 24.53 H new ATOM 0 HA LEU A 34 6.174 5.499 -3.091 1.00 74.02 H new ATOM 0 HB2 LEU A 34 6.284 3.948 -4.975 1.00 62.23 H new ATOM 0 HB3 LEU A 34 7.092 5.154 -5.956 1.00 62.23 H new ATOM 0 HG LEU A 34 8.394 3.184 -4.828 1.00 0.02 H new ATOM 0 HD11 LEU A 34 10.449 4.639 -4.819 1.00 21.12 H new ATOM 0 HD12 LEU A 34 9.405 4.976 -6.220 1.00 21.12 H new ATOM 0 HD13 LEU A 34 9.403 6.078 -4.823 1.00 21.12 H new ATOM 0 HD21 LEU A 34 9.535 3.804 -2.739 1.00 30.43 H new ATOM 0 HD22 LEU A 34 8.473 5.225 -2.594 1.00 30.43 H new ATOM 0 HD23 LEU A 34 7.782 3.586 -2.521 1.00 30.43 H new ATOM 548 N ARG A 35 7.581 7.529 -2.717 1.00 12.30 N ATOM 549 CA ARG A 35 8.432 8.675 -2.405 1.00 35.35 C ATOM 550 C ARG A 35 9.717 8.161 -1.763 1.00 14.43 C ATOM 551 O ARG A 35 9.822 8.062 -0.534 1.00 73.43 O ATOM 552 CB ARG A 35 7.690 9.681 -1.491 1.00 21.53 C ATOM 553 CG ARG A 35 7.019 10.864 -2.207 1.00 72.11 C ATOM 554 CD ARG A 35 6.039 10.470 -3.319 1.00 33.43 C ATOM 555 NE ARG A 35 6.691 10.368 -4.640 1.00 44.34 N ATOM 556 CZ ARG A 35 6.967 11.364 -5.495 1.00 63.43 C ATOM 557 NH1 ARG A 35 6.704 12.627 -5.187 1.00 75.22 N ATOM 558 NH2 ARG A 35 7.523 11.083 -6.670 1.00 14.31 N ATOM 0 H ARG A 35 7.264 7.039 -1.880 1.00 12.30 H new ATOM 0 HA ARG A 35 8.683 9.215 -3.318 1.00 35.35 H new ATOM 0 HB2 ARG A 35 6.928 9.140 -0.930 1.00 21.53 H new ATOM 0 HB3 ARG A 35 8.400 10.076 -0.764 1.00 21.53 H new ATOM 0 HG2 ARG A 35 6.487 11.463 -1.468 1.00 72.11 H new ATOM 0 HG3 ARG A 35 7.795 11.500 -2.634 1.00 72.11 H new ATOM 0 HD2 ARG A 35 5.578 9.514 -3.070 1.00 33.43 H new ATOM 0 HD3 ARG A 35 5.237 11.207 -3.369 1.00 33.43 H new ATOM 0 HE ARG A 35 6.963 9.431 -4.937 1.00 44.34 H new ATOM 0 HH11 ARG A 35 6.284 12.855 -4.286 1.00 75.22 H new ATOM 0 HH12 ARG A 35 6.922 13.370 -5.851 1.00 75.22 H new ATOM 0 HH21 ARG A 35 7.736 10.116 -6.915 1.00 14.31 H new ATOM 0 HH22 ARG A 35 7.736 11.834 -7.326 1.00 14.31 H new ATOM 572 N ALA A 36 10.721 7.831 -2.583 1.00 23.55 N ATOM 573 CA ALA A 36 12.005 7.369 -2.049 1.00 73.23 C ATOM 574 C ALA A 36 12.670 8.492 -1.247 1.00 11.20 C ATOM 575 O ALA A 36 13.514 8.215 -0.404 1.00 72.13 O ATOM 576 CB ALA A 36 12.946 6.918 -3.156 1.00 10.52 C ATOM 0 H ALA A 36 10.671 7.874 -3.601 1.00 23.55 H new ATOM 0 HA ALA A 36 11.804 6.514 -1.403 1.00 73.23 H new ATOM 0 HB1 ALA A 36 13.887 6.583 -2.720 1.00 10.52 H new ATOM 0 HB2 ALA A 36 12.490 6.097 -3.709 1.00 10.52 H new ATOM 0 HB3 ALA A 36 13.136 7.751 -3.833 1.00 10.52 H new ATOM 582 N ASP A 37 12.216 9.737 -1.435 1.00 64.24 N ATOM 583 CA ASP A 37 12.666 10.967 -0.782 1.00 35.44 C ATOM 584 C ASP A 37 12.670 10.803 0.751 1.00 53.25 C ATOM 585 O ASP A 37 13.417 11.500 1.439 1.00 70.21 O ATOM 586 CB ASP A 37 11.742 12.121 -1.212 1.00 74.04 C ATOM 587 CG ASP A 37 11.838 12.517 -2.693 1.00 22.22 C ATOM 588 OD1 ASP A 37 12.731 12.033 -3.426 1.00 64.00 O ATOM 589 OD2 ASP A 37 10.967 13.276 -3.178 1.00 33.05 O ATOM 0 H ASP A 37 11.466 9.922 -2.100 1.00 64.24 H new ATOM 0 HA ASP A 37 13.689 11.190 -1.086 1.00 35.44 H new ATOM 0 HB2 ASP A 37 10.712 11.841 -0.993 1.00 74.04 H new ATOM 0 HB3 ASP A 37 11.971 12.995 -0.603 1.00 74.04 H new ATOM 594 N LYS A 38 11.818 9.914 1.281 1.00 20.23 N ATOM 595 CA LYS A 38 11.674 9.538 2.689 1.00 24.14 C ATOM 596 C LYS A 38 11.613 8.003 2.852 1.00 21.33 C ATOM 597 O LYS A 38 11.516 7.520 3.982 1.00 65.33 O ATOM 598 CB LYS A 38 10.447 10.226 3.311 1.00 12.43 C ATOM 599 CG LYS A 38 10.793 11.561 3.972 1.00 51.25 C ATOM 600 CD LYS A 38 9.571 12.098 4.733 1.00 23.31 C ATOM 601 CE LYS A 38 9.859 13.440 5.409 1.00 65.23 C ATOM 602 NZ LYS A 38 9.621 14.607 4.535 1.00 64.04 N ATOM 0 H LYS A 38 11.164 9.402 0.689 1.00 20.23 H new ATOM 0 HA LYS A 38 12.556 9.884 3.228 1.00 24.14 H new ATOM 0 HB2 LYS A 38 9.697 10.391 2.538 1.00 12.43 H new ATOM 0 HB3 LYS A 38 10.000 9.563 4.052 1.00 12.43 H new ATOM 0 HG2 LYS A 38 11.631 11.432 4.657 1.00 51.25 H new ATOM 0 HG3 LYS A 38 11.107 12.281 3.216 1.00 51.25 H new ATOM 0 HD2 LYS A 38 8.736 12.212 4.042 1.00 23.31 H new ATOM 0 HD3 LYS A 38 9.265 11.371 5.486 1.00 23.31 H new ATOM 0 HE2 LYS A 38 9.236 13.530 6.299 1.00 65.23 H new ATOM 0 HE3 LYS A 38 10.896 13.453 5.744 1.00 65.23 H new ATOM 0 HZ1 LYS A 38 9.836 15.481 5.056 1.00 64.04 H new ATOM 0 HZ2 LYS A 38 10.234 14.544 3.697 1.00 64.04 H new ATOM 0 HZ3 LYS A 38 8.625 14.619 4.235 1.00 64.04 H new ATOM 616 N GLY A 39 11.660 7.229 1.762 1.00 64.32 N ATOM 617 CA GLY A 39 11.589 5.771 1.760 1.00 0.25 C ATOM 618 C GLY A 39 10.212 5.313 2.218 1.00 22.45 C ATOM 619 O GLY A 39 10.107 4.446 3.088 1.00 53.54 O ATOM 0 H GLY A 39 11.752 7.619 0.824 1.00 64.32 H new ATOM 0 HA2 GLY A 39 11.793 5.391 0.759 1.00 0.25 H new ATOM 0 HA3 GLY A 39 12.355 5.361 2.419 1.00 0.25 H new ATOM 623 N ILE A 40 9.163 5.865 1.611 1.00 40.40 N ATOM 624 CA ILE A 40 7.762 5.593 1.906 1.00 1.22 C ATOM 625 C ILE A 40 6.938 5.542 0.624 1.00 63.34 C ATOM 626 O ILE A 40 7.417 5.914 -0.449 1.00 43.00 O ATOM 627 CB ILE A 40 7.198 6.683 2.851 1.00 34.01 C ATOM 628 CG1 ILE A 40 7.728 8.070 2.481 1.00 5.14 C ATOM 629 CG2 ILE A 40 7.503 6.388 4.326 1.00 2.23 C ATOM 630 CD1 ILE A 40 6.806 9.219 2.893 1.00 60.41 C ATOM 0 H ILE A 40 9.276 6.549 0.862 1.00 40.40 H new ATOM 0 HA ILE A 40 7.698 4.622 2.397 1.00 1.22 H new ATOM 0 HB ILE A 40 6.116 6.671 2.721 1.00 34.01 H new ATOM 0 HG12 ILE A 40 8.701 8.213 2.950 1.00 5.14 H new ATOM 0 HG13 ILE A 40 7.885 8.112 1.403 1.00 5.14 H new ATOM 0 HG21 ILE A 40 7.088 7.180 4.949 1.00 2.23 H new ATOM 0 HG22 ILE A 40 7.056 5.434 4.606 1.00 2.23 H new ATOM 0 HG23 ILE A 40 8.582 6.340 4.472 1.00 2.23 H new ATOM 0 HD11 ILE A 40 7.252 10.168 2.596 1.00 60.41 H new ATOM 0 HD12 ILE A 40 5.839 9.103 2.403 1.00 60.41 H new ATOM 0 HD13 ILE A 40 6.669 9.206 3.974 1.00 60.41 H new ATOM 642 N ALA A 41 5.704 5.061 0.730 1.00 35.42 N ATOM 643 CA ALA A 41 4.742 4.929 -0.343 1.00 4.44 C ATOM 644 C ALA A 41 3.334 5.123 0.217 1.00 61.32 C ATOM 645 O ALA A 41 3.075 4.808 1.383 1.00 54.33 O ATOM 646 CB ALA A 41 4.875 3.541 -0.968 1.00 74.00 C ATOM 0 H ALA A 41 5.333 4.735 1.623 1.00 35.42 H new ATOM 0 HA ALA A 41 4.928 5.684 -1.107 1.00 4.44 H new ATOM 0 HB1 ALA A 41 4.152 3.436 -1.777 1.00 74.00 H new ATOM 0 HB2 ALA A 41 5.883 3.415 -1.363 1.00 74.00 H new ATOM 0 HB3 ALA A 41 4.684 2.781 -0.210 1.00 74.00 H new ATOM 652 N PHE A 42 2.423 5.641 -0.604 1.00 21.44 N ATOM 653 CA PHE A 42 1.032 5.876 -0.241 1.00 41.34 C ATOM 654 C PHE A 42 0.187 5.059 -1.201 1.00 20.42 C ATOM 655 O PHE A 42 0.439 5.087 -2.412 1.00 32.13 O ATOM 656 CB PHE A 42 0.672 7.361 -0.359 1.00 52.31 C ATOM 657 CG PHE A 42 1.436 8.283 0.568 1.00 41.32 C ATOM 658 CD1 PHE A 42 1.076 8.367 1.926 1.00 30.13 C ATOM 659 CD2 PHE A 42 2.499 9.066 0.076 1.00 71.22 C ATOM 660 CE1 PHE A 42 1.746 9.262 2.781 1.00 64.31 C ATOM 661 CE2 PHE A 42 3.188 9.936 0.940 1.00 34.43 C ATOM 662 CZ PHE A 42 2.797 10.052 2.285 1.00 34.23 C ATOM 0 H PHE A 42 2.639 5.915 -1.562 1.00 21.44 H new ATOM 0 HA PHE A 42 0.856 5.585 0.795 1.00 41.34 H new ATOM 0 HB2 PHE A 42 0.845 7.680 -1.387 1.00 52.31 H new ATOM 0 HB3 PHE A 42 -0.394 7.477 -0.164 1.00 52.31 H new ATOM 0 HD1 PHE A 42 0.284 7.743 2.313 1.00 30.13 H new ATOM 0 HD2 PHE A 42 2.784 8.998 -0.963 1.00 71.22 H new ATOM 0 HE1 PHE A 42 1.453 9.342 3.817 1.00 64.31 H new ATOM 0 HE2 PHE A 42 4.020 10.516 0.569 1.00 34.43 H new ATOM 0 HZ PHE A 42 3.304 10.748 2.937 1.00 34.23 H new ATOM 672 N LEU A 43 -0.791 4.328 -0.672 1.00 4.21 N ATOM 673 CA LEU A 43 -1.693 3.494 -1.448 1.00 1.30 C ATOM 674 C LEU A 43 -3.097 3.904 -1.048 1.00 34.53 C ATOM 675 O LEU A 43 -3.476 3.735 0.109 1.00 31.10 O ATOM 676 CB LEU A 43 -1.424 1.998 -1.229 1.00 0.23 C ATOM 677 CG LEU A 43 -0.042 1.568 -1.763 1.00 33.05 C ATOM 678 CD1 LEU A 43 1.024 1.553 -0.664 1.00 14.24 C ATOM 679 CD2 LEU A 43 -0.090 0.181 -2.395 1.00 62.02 C ATOM 0 H LEU A 43 -0.979 4.301 0.330 1.00 4.21 H new ATOM 0 HA LEU A 43 -1.545 3.642 -2.518 1.00 1.30 H new ATOM 0 HB2 LEU A 43 -1.486 1.772 -0.165 1.00 0.23 H new ATOM 0 HB3 LEU A 43 -2.200 1.415 -1.725 1.00 0.23 H new ATOM 0 HG LEU A 43 0.226 2.310 -2.515 1.00 33.05 H new ATOM 0 HD11 LEU A 43 1.979 1.244 -1.088 1.00 14.24 H new ATOM 0 HD12 LEU A 43 1.122 2.552 -0.238 1.00 14.24 H new ATOM 0 HD13 LEU A 43 0.731 0.852 0.118 1.00 14.24 H new ATOM 0 HD21 LEU A 43 0.902 -0.087 -2.759 1.00 62.02 H new ATOM 0 HD22 LEU A 43 -0.412 -0.547 -1.651 1.00 62.02 H new ATOM 0 HD23 LEU A 43 -0.794 0.185 -3.227 1.00 62.02 H new ATOM 691 N GLU A 44 -3.814 4.553 -1.958 1.00 24.33 N ATOM 692 CA GLU A 44 -5.176 5.025 -1.730 1.00 53.21 C ATOM 693 C GLU A 44 -6.134 3.982 -2.308 1.00 53.43 C ATOM 694 O GLU A 44 -5.809 3.361 -3.326 1.00 34.12 O ATOM 695 CB GLU A 44 -5.403 6.382 -2.409 1.00 51.43 C ATOM 696 CG GLU A 44 -4.271 7.412 -2.204 1.00 10.14 C ATOM 697 CD GLU A 44 -4.485 8.702 -2.995 1.00 24.43 C ATOM 698 OE1 GLU A 44 -5.511 8.850 -3.694 1.00 2.15 O ATOM 699 OE2 GLU A 44 -3.618 9.602 -2.917 1.00 51.11 O ATOM 0 H GLU A 44 -3.460 4.770 -2.890 1.00 24.33 H new ATOM 0 HA GLU A 44 -5.350 5.157 -0.662 1.00 53.21 H new ATOM 0 HB2 GLU A 44 -5.536 6.218 -3.478 1.00 51.43 H new ATOM 0 HB3 GLU A 44 -6.334 6.808 -2.034 1.00 51.43 H new ATOM 0 HG2 GLU A 44 -4.193 7.652 -1.143 1.00 10.14 H new ATOM 0 HG3 GLU A 44 -3.322 6.964 -2.500 1.00 10.14 H new ATOM 706 N PHE A 45 -7.319 3.826 -1.714 1.00 25.33 N ATOM 707 CA PHE A 45 -8.330 2.865 -2.134 1.00 41.44 C ATOM 708 C PHE A 45 -9.722 3.479 -1.950 1.00 11.34 C ATOM 709 O PHE A 45 -10.079 3.878 -0.837 1.00 50.42 O ATOM 710 CB PHE A 45 -8.210 1.594 -1.282 1.00 33.44 C ATOM 711 CG PHE A 45 -6.875 0.861 -1.286 1.00 53.31 C ATOM 712 CD1 PHE A 45 -5.825 1.299 -0.452 1.00 75.02 C ATOM 713 CD2 PHE A 45 -6.755 -0.381 -1.938 1.00 21.41 C ATOM 714 CE1 PHE A 45 -4.686 0.498 -0.260 1.00 73.54 C ATOM 715 CE2 PHE A 45 -5.623 -1.189 -1.724 1.00 13.24 C ATOM 716 CZ PHE A 45 -4.582 -0.749 -0.894 1.00 0.10 C ATOM 0 H PHE A 45 -7.605 4.381 -0.907 1.00 25.33 H new ATOM 0 HA PHE A 45 -8.182 2.612 -3.184 1.00 41.44 H new ATOM 0 HB2 PHE A 45 -8.444 1.858 -0.251 1.00 33.44 H new ATOM 0 HB3 PHE A 45 -8.977 0.895 -1.614 1.00 33.44 H new ATOM 0 HD1 PHE A 45 -5.897 2.256 0.042 1.00 75.02 H new ATOM 0 HD2 PHE A 45 -7.535 -0.715 -2.606 1.00 21.41 H new ATOM 0 HE1 PHE A 45 -3.887 0.844 0.379 1.00 73.54 H new ATOM 0 HE2 PHE A 45 -5.555 -2.155 -2.202 1.00 13.24 H new ATOM 0 HZ PHE A 45 -3.708 -1.365 -0.744 1.00 0.10 H new ATOM 726 N ASP A 46 -10.501 3.588 -3.029 1.00 42.14 N ATOM 727 CA ASP A 46 -11.856 4.146 -2.995 1.00 65.31 C ATOM 728 C ASP A 46 -12.837 3.135 -2.407 1.00 60.40 C ATOM 729 O ASP A 46 -12.928 1.997 -2.877 1.00 14.21 O ATOM 730 CB ASP A 46 -12.289 4.661 -4.361 1.00 11.54 C ATOM 731 CG ASP A 46 -13.606 5.408 -4.163 1.00 52.34 C ATOM 732 OD1 ASP A 46 -13.563 6.577 -3.727 1.00 34.21 O ATOM 733 OD2 ASP A 46 -14.673 4.789 -4.352 1.00 70.21 O ATOM 0 H ASP A 46 -10.207 3.289 -3.959 1.00 42.14 H new ATOM 0 HA ASP A 46 -11.853 5.014 -2.336 1.00 65.31 H new ATOM 0 HB2 ASP A 46 -11.531 5.322 -4.781 1.00 11.54 H new ATOM 0 HB3 ASP A 46 -12.416 3.835 -5.061 1.00 11.54 H new ATOM 738 N ALA A 47 -13.500 3.523 -1.317 1.00 62.23 N ATOM 739 CA ALA A 47 -14.468 2.730 -0.581 1.00 33.14 C ATOM 740 C ALA A 47 -15.791 2.615 -1.314 1.00 14.41 C ATOM 741 O ALA A 47 -16.432 1.565 -1.238 1.00 74.22 O ATOM 742 CB ALA A 47 -14.702 3.337 0.807 1.00 62.34 C ATOM 0 H ALA A 47 -13.365 4.448 -0.908 1.00 62.23 H new ATOM 0 HA ALA A 47 -14.053 1.727 -0.483 1.00 33.14 H new ATOM 0 HB1 ALA A 47 -15.430 2.734 1.350 1.00 62.34 H new ATOM 0 HB2 ALA A 47 -13.762 3.356 1.359 1.00 62.34 H new ATOM 0 HB3 ALA A 47 -15.081 4.354 0.700 1.00 62.34 H new ATOM 748 N ASP A 48 -16.247 3.688 -1.963 1.00 21.33 N ATOM 749 CA ASP A 48 -17.506 3.648 -2.704 1.00 71.50 C ATOM 750 C ASP A 48 -17.393 2.646 -3.853 1.00 54.54 C ATOM 751 O ASP A 48 -18.375 1.975 -4.175 1.00 15.31 O ATOM 752 CB ASP A 48 -17.894 5.031 -3.223 1.00 24.12 C ATOM 753 CG ASP A 48 -19.143 4.959 -4.098 1.00 4.41 C ATOM 754 OD1 ASP A 48 -20.262 4.959 -3.541 1.00 42.31 O ATOM 755 OD2 ASP A 48 -18.989 4.918 -5.342 1.00 11.35 O ATOM 0 H ASP A 48 -15.767 4.588 -1.990 1.00 21.33 H new ATOM 0 HA ASP A 48 -18.296 3.326 -2.026 1.00 71.50 H new ATOM 0 HB2 ASP A 48 -18.073 5.701 -2.382 1.00 24.12 H new ATOM 0 HB3 ASP A 48 -17.068 5.453 -3.796 1.00 24.12 H new ATOM 760 N LYS A 49 -16.180 2.460 -4.388 1.00 40.13 N ATOM 761 CA LYS A 49 -15.896 1.544 -5.482 1.00 31.23 C ATOM 762 C LYS A 49 -16.206 0.090 -5.123 1.00 21.41 C ATOM 763 O LYS A 49 -16.299 -0.725 -6.038 1.00 24.42 O ATOM 764 CB LYS A 49 -14.430 1.743 -5.886 1.00 0.12 C ATOM 765 CG LYS A 49 -14.112 1.407 -7.344 1.00 24.15 C ATOM 766 CD LYS A 49 -12.710 1.934 -7.697 1.00 55.24 C ATOM 767 CE LYS A 49 -12.249 1.435 -9.069 1.00 51.24 C ATOM 768 NZ LYS A 49 -11.149 2.259 -9.615 1.00 74.30 N ATOM 0 H LYS A 49 -15.353 2.958 -4.059 1.00 40.13 H new ATOM 0 HA LYS A 49 -16.548 1.767 -6.327 1.00 31.23 H new ATOM 0 HB2 LYS A 49 -14.155 2.781 -5.699 1.00 0.12 H new ATOM 0 HB3 LYS A 49 -13.804 1.126 -5.241 1.00 0.12 H new ATOM 0 HG2 LYS A 49 -14.157 0.329 -7.498 1.00 24.15 H new ATOM 0 HG3 LYS A 49 -14.857 1.854 -8.002 1.00 24.15 H new ATOM 0 HD2 LYS A 49 -12.718 3.024 -7.690 1.00 55.24 H new ATOM 0 HD3 LYS A 49 -11.998 1.615 -6.935 1.00 55.24 H new ATOM 0 HE2 LYS A 49 -11.920 0.399 -8.987 1.00 51.24 H new ATOM 0 HE3 LYS A 49 -13.091 1.448 -9.762 1.00 51.24 H new ATOM 0 HZ1 LYS A 49 -10.602 1.698 -10.299 1.00 74.30 H new ATOM 0 HZ2 LYS A 49 -11.545 3.095 -10.090 1.00 74.30 H new ATOM 0 HZ3 LYS A 49 -10.526 2.564 -8.840 1.00 74.30 H new ATOM 782 N ASP A 50 -16.308 -0.278 -3.839 1.00 70.33 N ATOM 783 CA ASP A 50 -16.628 -1.647 -3.424 1.00 31.14 C ATOM 784 C ASP A 50 -17.008 -1.659 -1.942 1.00 70.52 C ATOM 785 O ASP A 50 -16.152 -1.832 -1.076 1.00 51.00 O ATOM 786 CB ASP A 50 -15.481 -2.630 -3.737 1.00 32.32 C ATOM 787 CG ASP A 50 -15.980 -3.824 -4.546 1.00 23.45 C ATOM 788 OD1 ASP A 50 -17.043 -4.385 -4.191 1.00 3.33 O ATOM 789 OD2 ASP A 50 -15.310 -4.186 -5.538 1.00 32.12 O ATOM 0 H ASP A 50 -16.171 0.366 -3.060 1.00 70.33 H new ATOM 0 HA ASP A 50 -17.484 -1.994 -4.003 1.00 31.14 H new ATOM 0 HB2 ASP A 50 -14.698 -2.114 -4.292 1.00 32.32 H new ATOM 0 HB3 ASP A 50 -15.034 -2.980 -2.806 1.00 32.32 H new ATOM 794 N ARG A 51 -18.298 -1.493 -1.635 1.00 25.14 N ATOM 795 CA ARG A 51 -18.823 -1.455 -0.263 1.00 4.34 C ATOM 796 C ARG A 51 -18.374 -2.562 0.648 1.00 71.03 C ATOM 797 O ARG A 51 -18.078 -2.295 1.814 1.00 62.20 O ATOM 798 CB ARG A 51 -20.356 -1.469 -0.256 1.00 75.11 C ATOM 799 CG ARG A 51 -20.959 -0.292 -1.012 1.00 72.12 C ATOM 800 CD ARG A 51 -22.426 -0.127 -0.632 1.00 14.55 C ATOM 801 NE ARG A 51 -22.981 1.133 -1.141 1.00 1.41 N ATOM 802 CZ ARG A 51 -24.036 1.774 -0.627 1.00 12.54 C ATOM 803 NH1 ARG A 51 -24.749 1.229 0.356 1.00 3.32 N ATOM 804 NH2 ARG A 51 -24.375 2.973 -1.083 1.00 10.44 N ATOM 0 H ARG A 51 -19.022 -1.379 -2.345 1.00 25.14 H new ATOM 0 HA ARG A 51 -18.409 -0.525 0.126 1.00 4.34 H new ATOM 0 HB2 ARG A 51 -20.709 -2.400 -0.700 1.00 75.11 H new ATOM 0 HB3 ARG A 51 -20.711 -1.453 0.775 1.00 75.11 H new ATOM 0 HG2 ARG A 51 -20.410 0.620 -0.780 1.00 72.12 H new ATOM 0 HG3 ARG A 51 -20.869 -0.454 -2.086 1.00 72.12 H new ATOM 0 HD2 ARG A 51 -23.001 -0.964 -1.028 1.00 14.55 H new ATOM 0 HD3 ARG A 51 -22.526 -0.157 0.453 1.00 14.55 H new ATOM 0 HE ARG A 51 -22.526 1.553 -1.951 1.00 1.41 H new ATOM 0 HH11 ARG A 51 -24.493 0.313 0.725 1.00 3.32 H new ATOM 0 HH12 ARG A 51 -25.552 1.727 0.740 1.00 3.32 H new ATOM 0 HH21 ARG A 51 -23.830 3.408 -1.828 1.00 10.44 H new ATOM 0 HH22 ARG A 51 -25.180 3.460 -0.689 1.00 10.44 H new ATOM 818 N THR A 52 -18.268 -3.771 0.132 1.00 50.45 N ATOM 819 CA THR A 52 -17.876 -4.912 0.922 1.00 74.20 C ATOM 820 C THR A 52 -16.519 -5.473 0.462 1.00 3.44 C ATOM 821 O THR A 52 -15.988 -6.405 1.079 1.00 54.33 O ATOM 822 CB THR A 52 -19.089 -5.868 0.942 1.00 42.01 C ATOM 823 OG1 THR A 52 -20.338 -5.177 1.020 1.00 62.31 O ATOM 824 CG2 THR A 52 -19.013 -6.735 2.181 1.00 25.12 C ATOM 0 H THR A 52 -18.452 -3.986 -0.848 1.00 50.45 H new ATOM 0 HA THR A 52 -17.657 -4.672 1.963 1.00 74.20 H new ATOM 0 HB THR A 52 -19.048 -6.439 0.015 1.00 42.01 H new ATOM 0 HG1 THR A 52 -21.071 -5.827 1.028 1.00 62.31 H new ATOM 0 HG21 THR A 52 -19.866 -7.413 2.203 1.00 25.12 H new ATOM 0 HG22 THR A 52 -18.089 -7.314 2.164 1.00 25.12 H new ATOM 0 HG23 THR A 52 -19.029 -6.103 3.069 1.00 25.12 H new ATOM 832 N GLY A 53 -15.909 -4.880 -0.572 1.00 2.44 N ATOM 833 CA GLY A 53 -14.617 -5.285 -1.110 1.00 2.12 C ATOM 834 C GLY A 53 -13.487 -4.413 -0.565 1.00 71.41 C ATOM 835 O GLY A 53 -12.372 -4.903 -0.407 1.00 54.44 O ATOM 0 H GLY A 53 -16.316 -4.086 -1.066 1.00 2.44 H new ATOM 0 HA2 GLY A 53 -14.427 -6.328 -0.858 1.00 2.12 H new ATOM 0 HA3 GLY A 53 -14.637 -5.219 -2.198 1.00 2.12 H new ATOM 839 N ILE A 54 -13.757 -3.149 -0.212 1.00 14.23 N ATOM 840 CA ILE A 54 -12.759 -2.223 0.329 1.00 72.33 C ATOM 841 C ILE A 54 -12.058 -2.835 1.547 1.00 34.45 C ATOM 842 O ILE A 54 -10.847 -2.700 1.694 1.00 51.34 O ATOM 843 CB ILE A 54 -13.417 -0.855 0.637 1.00 31.22 C ATOM 844 CG1 ILE A 54 -12.380 0.191 1.102 1.00 40.43 C ATOM 845 CG2 ILE A 54 -14.528 -0.926 1.700 1.00 54.22 C ATOM 846 CD1 ILE A 54 -11.306 0.522 0.064 1.00 62.52 C ATOM 0 H ILE A 54 -14.687 -2.738 -0.296 1.00 14.23 H new ATOM 0 HA ILE A 54 -11.984 -2.046 -0.417 1.00 72.33 H new ATOM 0 HB ILE A 54 -13.864 -0.554 -0.310 1.00 31.22 H new ATOM 0 HG12 ILE A 54 -12.903 1.109 1.371 1.00 40.43 H new ATOM 0 HG13 ILE A 54 -11.893 -0.175 2.006 1.00 40.43 H new ATOM 0 HG21 ILE A 54 -14.941 0.070 1.862 1.00 54.22 H new ATOM 0 HG22 ILE A 54 -15.317 -1.595 1.357 1.00 54.22 H new ATOM 0 HG23 ILE A 54 -14.114 -1.303 2.635 1.00 54.22 H new ATOM 0 HD11 ILE A 54 -10.621 1.264 0.474 1.00 62.52 H new ATOM 0 HD12 ILE A 54 -10.753 -0.383 -0.188 1.00 62.52 H new ATOM 0 HD13 ILE A 54 -11.778 0.921 -0.834 1.00 62.52 H new ATOM 858 N GLN A 55 -12.808 -3.565 2.378 1.00 53.01 N ATOM 859 CA GLN A 55 -12.282 -4.212 3.565 1.00 32.33 C ATOM 860 C GLN A 55 -11.180 -5.188 3.157 1.00 45.11 C ATOM 861 O GLN A 55 -10.045 -5.069 3.590 1.00 31.42 O ATOM 862 CB GLN A 55 -13.416 -4.944 4.307 1.00 1.05 C ATOM 863 CG GLN A 55 -13.312 -4.953 5.839 1.00 61.42 C ATOM 864 CD GLN A 55 -11.910 -4.689 6.381 1.00 74.14 C ATOM 865 OE1 GLN A 55 -11.595 -3.582 6.813 1.00 72.23 O ATOM 866 NE2 GLN A 55 -11.025 -5.661 6.299 1.00 52.11 N ATOM 0 H GLN A 55 -13.806 -3.720 2.237 1.00 53.01 H new ATOM 0 HA GLN A 55 -11.861 -3.466 4.239 1.00 32.33 H new ATOM 0 HB2 GLN A 55 -14.364 -4.484 4.028 1.00 1.05 H new ATOM 0 HB3 GLN A 55 -13.447 -5.976 3.957 1.00 1.05 H new ATOM 0 HG2 GLN A 55 -13.991 -4.200 6.241 1.00 61.42 H new ATOM 0 HG3 GLN A 55 -13.654 -5.920 6.208 1.00 61.42 H new ATOM 0 HE21 GLN A 55 -11.302 -6.574 5.938 1.00 52.11 H new ATOM 0 HE22 GLN A 55 -10.063 -5.501 6.596 1.00 52.11 H new ATOM 875 N ARG A 56 -11.504 -6.135 2.276 1.00 1.12 N ATOM 876 CA ARG A 56 -10.582 -7.148 1.766 1.00 35.13 C ATOM 877 C ARG A 56 -9.331 -6.489 1.204 1.00 50.33 C ATOM 878 O ARG A 56 -8.228 -6.978 1.440 1.00 70.42 O ATOM 879 CB ARG A 56 -11.267 -8.012 0.697 1.00 53.01 C ATOM 880 CG ARG A 56 -12.148 -9.131 1.263 1.00 53.20 C ATOM 881 CD ARG A 56 -13.163 -8.673 2.330 1.00 42.55 C ATOM 882 NE ARG A 56 -14.255 -9.633 2.550 1.00 23.32 N ATOM 883 CZ ARG A 56 -14.151 -10.942 2.799 1.00 1.44 C ATOM 884 NH1 ARG A 56 -12.979 -11.512 3.038 1.00 55.22 N ATOM 885 NH2 ARG A 56 -15.248 -11.678 2.794 1.00 31.51 N ATOM 0 H ARG A 56 -12.443 -6.220 1.887 1.00 1.12 H new ATOM 0 HA ARG A 56 -10.289 -7.797 2.591 1.00 35.13 H new ATOM 0 HB2 ARG A 56 -11.878 -7.369 0.063 1.00 53.01 H new ATOM 0 HB3 ARG A 56 -10.502 -8.455 0.059 1.00 53.01 H new ATOM 0 HG2 ARG A 56 -12.691 -9.599 0.441 1.00 53.20 H new ATOM 0 HG3 ARG A 56 -11.505 -9.897 1.697 1.00 53.20 H new ATOM 0 HD2 ARG A 56 -12.639 -8.508 3.272 1.00 42.55 H new ATOM 0 HD3 ARG A 56 -13.587 -7.715 2.029 1.00 42.55 H new ATOM 0 HE ARG A 56 -15.202 -9.256 2.508 1.00 23.32 H new ATOM 0 HH11 ARG A 56 -12.128 -10.949 3.035 1.00 55.22 H new ATOM 0 HH12 ARG A 56 -12.928 -12.513 3.225 1.00 55.22 H new ATOM 0 HH21 ARG A 56 -16.152 -11.245 2.603 1.00 31.51 H new ATOM 0 HH22 ARG A 56 -15.191 -12.679 2.982 1.00 31.51 H new ATOM 899 N ARG A 57 -9.489 -5.392 0.456 1.00 43.14 N ATOM 900 CA ARG A 57 -8.350 -4.676 -0.106 1.00 55.23 C ATOM 901 C ARG A 57 -7.429 -4.266 1.052 1.00 54.33 C ATOM 902 O ARG A 57 -6.227 -4.540 0.983 1.00 15.34 O ATOM 903 CB ARG A 57 -8.828 -3.502 -0.977 1.00 42.41 C ATOM 904 CG ARG A 57 -9.582 -3.978 -2.236 1.00 14.52 C ATOM 905 CD ARG A 57 -9.979 -2.799 -3.135 1.00 4.20 C ATOM 906 NE ARG A 57 -10.020 -3.182 -4.557 1.00 54.12 N ATOM 907 CZ ARG A 57 -9.917 -2.360 -5.610 1.00 35.00 C ATOM 908 NH1 ARG A 57 -9.938 -1.041 -5.458 1.00 33.32 N ATOM 909 NH2 ARG A 57 -9.816 -2.870 -6.832 1.00 23.51 N ATOM 0 H ARG A 57 -10.396 -4.984 0.229 1.00 43.14 H new ATOM 0 HA ARG A 57 -7.772 -5.309 -0.779 1.00 55.23 H new ATOM 0 HB2 ARG A 57 -9.480 -2.857 -0.388 1.00 42.41 H new ATOM 0 HB3 ARG A 57 -7.969 -2.901 -1.276 1.00 42.41 H new ATOM 0 HG2 ARG A 57 -8.954 -4.669 -2.798 1.00 14.52 H new ATOM 0 HG3 ARG A 57 -10.475 -4.528 -1.940 1.00 14.52 H new ATOM 0 HD2 ARG A 57 -10.957 -2.424 -2.832 1.00 4.20 H new ATOM 0 HD3 ARG A 57 -9.269 -1.983 -2.999 1.00 4.20 H new ATOM 0 HE ARG A 57 -10.139 -4.174 -4.761 1.00 54.12 H new ATOM 0 HH11 ARG A 57 -10.034 -0.636 -4.527 1.00 33.32 H new ATOM 0 HH12 ARG A 57 -9.858 -0.432 -6.273 1.00 33.32 H new ATOM 0 HH21 ARG A 57 -9.817 -3.881 -6.964 1.00 23.51 H new ATOM 0 HH22 ARG A 57 -9.737 -2.250 -7.638 1.00 23.51 H new ATOM 923 N MET A 58 -7.986 -3.704 2.131 1.00 12.21 N ATOM 924 CA MET A 58 -7.220 -3.297 3.303 1.00 44.20 C ATOM 925 C MET A 58 -6.640 -4.516 4.022 1.00 0.32 C ATOM 926 O MET A 58 -5.468 -4.476 4.361 1.00 53.32 O ATOM 927 CB MET A 58 -8.059 -2.483 4.309 1.00 51.42 C ATOM 928 CG MET A 58 -8.270 -1.062 3.804 1.00 1.23 C ATOM 929 SD MET A 58 -8.840 0.151 5.020 1.00 50.44 S ATOM 930 CE MET A 58 -10.517 0.473 4.437 1.00 2.22 C ATOM 0 H MET A 58 -8.986 -3.520 2.211 1.00 12.21 H new ATOM 0 HA MET A 58 -6.417 -2.659 2.932 1.00 44.20 H new ATOM 0 HB2 MET A 58 -9.023 -2.967 4.462 1.00 51.42 H new ATOM 0 HB3 MET A 58 -7.556 -2.460 5.276 1.00 51.42 H new ATOM 0 HG2 MET A 58 -7.330 -0.707 3.383 1.00 1.23 H new ATOM 0 HG3 MET A 58 -8.993 -1.093 2.989 1.00 1.23 H new ATOM 0 HE1 MET A 58 -11.001 1.190 5.100 1.00 2.22 H new ATOM 0 HE2 MET A 58 -10.479 0.881 3.427 1.00 2.22 H new ATOM 0 HE3 MET A 58 -11.085 -0.457 4.432 1.00 2.22 H new ATOM 940 N ASP A 59 -7.398 -5.600 4.234 1.00 10.34 N ATOM 941 CA ASP A 59 -6.951 -6.826 4.920 1.00 3.35 C ATOM 942 C ASP A 59 -5.661 -7.343 4.289 1.00 3.11 C ATOM 943 O ASP A 59 -4.694 -7.682 4.972 1.00 20.44 O ATOM 944 CB ASP A 59 -7.947 -7.991 4.757 1.00 54.11 C ATOM 945 CG ASP A 59 -9.211 -7.975 5.604 1.00 1.01 C ATOM 946 OD1 ASP A 59 -9.109 -7.985 6.846 1.00 0.34 O ATOM 947 OD2 ASP A 59 -10.317 -8.127 5.027 1.00 44.10 O ATOM 0 H ASP A 59 -8.369 -5.653 3.925 1.00 10.34 H new ATOM 0 HA ASP A 59 -6.840 -6.546 5.968 1.00 3.35 H new ATOM 0 HB2 ASP A 59 -8.247 -8.029 3.710 1.00 54.11 H new ATOM 0 HB3 ASP A 59 -7.414 -8.918 4.970 1.00 54.11 H new ATOM 952 N ILE A 60 -5.679 -7.454 2.962 1.00 65.14 N ATOM 953 CA ILE A 60 -4.576 -7.941 2.160 1.00 2.44 C ATOM 954 C ILE A 60 -3.411 -6.959 2.261 1.00 52.40 C ATOM 955 O ILE A 60 -2.271 -7.405 2.410 1.00 0.33 O ATOM 956 CB ILE A 60 -5.096 -8.196 0.729 1.00 11.31 C ATOM 957 CG1 ILE A 60 -6.137 -9.345 0.725 1.00 23.25 C ATOM 958 CG2 ILE A 60 -3.954 -8.527 -0.244 1.00 74.10 C ATOM 959 CD1 ILE A 60 -7.035 -9.345 -0.516 1.00 4.04 C ATOM 0 H ILE A 60 -6.493 -7.197 2.404 1.00 65.14 H new ATOM 0 HA ILE A 60 -4.184 -8.893 2.519 1.00 2.44 H new ATOM 0 HB ILE A 60 -5.571 -7.275 0.390 1.00 11.31 H new ATOM 0 HG12 ILE A 60 -5.614 -10.300 0.787 1.00 23.25 H new ATOM 0 HG13 ILE A 60 -6.760 -9.265 1.616 1.00 23.25 H new ATOM 0 HG21 ILE A 60 -4.363 -8.699 -1.240 1.00 74.10 H new ATOM 0 HG22 ILE A 60 -3.253 -7.693 -0.279 1.00 74.10 H new ATOM 0 HG23 ILE A 60 -3.435 -9.423 0.095 1.00 74.10 H new ATOM 0 HD11 ILE A 60 -7.740 -10.174 -0.455 1.00 4.04 H new ATOM 0 HD12 ILE A 60 -7.584 -8.405 -0.568 1.00 4.04 H new ATOM 0 HD13 ILE A 60 -6.421 -9.456 -1.410 1.00 4.04 H new ATOM 971 N ALA A 61 -3.665 -5.649 2.184 1.00 71.32 N ATOM 972 CA ALA A 61 -2.610 -4.654 2.289 1.00 62.12 C ATOM 973 C ALA A 61 -1.970 -4.714 3.682 1.00 71.12 C ATOM 974 O ALA A 61 -0.748 -4.680 3.789 1.00 73.34 O ATOM 975 CB ALA A 61 -3.170 -3.257 1.995 1.00 73.22 C ATOM 0 H ALA A 61 -4.598 -5.259 2.049 1.00 71.32 H new ATOM 0 HA ALA A 61 -1.838 -4.869 1.551 1.00 62.12 H new ATOM 0 HB1 ALA A 61 -2.371 -2.520 2.077 1.00 73.22 H new ATOM 0 HB2 ALA A 61 -3.582 -3.235 0.986 1.00 73.22 H new ATOM 0 HB3 ALA A 61 -3.956 -3.021 2.713 1.00 73.22 H new ATOM 981 N LEU A 62 -2.774 -4.838 4.742 1.00 40.21 N ATOM 982 CA LEU A 62 -2.325 -4.896 6.135 1.00 60.02 C ATOM 983 C LEU A 62 -1.483 -6.138 6.401 1.00 15.42 C ATOM 984 O LEU A 62 -0.635 -6.143 7.297 1.00 2.32 O ATOM 985 CB LEU A 62 -3.533 -4.873 7.088 1.00 51.44 C ATOM 986 CG LEU A 62 -4.163 -3.484 7.307 1.00 22.11 C ATOM 987 CD1 LEU A 62 -5.413 -3.632 8.182 1.00 2.52 C ATOM 988 CD2 LEU A 62 -3.165 -2.529 7.974 1.00 13.22 C ATOM 0 H LEU A 62 -3.788 -4.903 4.651 1.00 40.21 H new ATOM 0 HA LEU A 62 -1.703 -4.019 6.316 1.00 60.02 H new ATOM 0 HB2 LEU A 62 -4.298 -5.545 6.698 1.00 51.44 H new ATOM 0 HB3 LEU A 62 -3.222 -5.271 8.054 1.00 51.44 H new ATOM 0 HG LEU A 62 -4.437 -3.063 6.339 1.00 22.11 H new ATOM 0 HD11 LEU A 62 -5.864 -2.652 8.341 1.00 2.52 H new ATOM 0 HD12 LEU A 62 -6.130 -4.285 7.685 1.00 2.52 H new ATOM 0 HD13 LEU A 62 -5.135 -4.064 9.143 1.00 2.52 H new ATOM 0 HD21 LEU A 62 -3.634 -1.555 8.118 1.00 13.22 H new ATOM 0 HD22 LEU A 62 -2.865 -2.933 8.941 1.00 13.22 H new ATOM 0 HD23 LEU A 62 -2.287 -2.419 7.338 1.00 13.22 H new ATOM 1000 N LEU A 63 -1.688 -7.207 5.631 1.00 35.21 N ATOM 1001 CA LEU A 63 -0.911 -8.425 5.801 1.00 12.43 C ATOM 1002 C LEU A 63 0.502 -8.219 5.268 1.00 4.21 C ATOM 1003 O LEU A 63 1.361 -9.085 5.458 1.00 53.33 O ATOM 1004 CB LEU A 63 -1.610 -9.584 5.065 1.00 72.41 C ATOM 1005 CG LEU A 63 -2.682 -10.276 5.921 1.00 2.23 C ATOM 1006 CD1 LEU A 63 -3.630 -11.073 5.020 1.00 61.20 C ATOM 1007 CD2 LEU A 63 -2.036 -11.207 6.951 1.00 52.40 C ATOM 0 H LEU A 63 -2.384 -7.250 4.887 1.00 35.21 H new ATOM 0 HA LEU A 63 -0.843 -8.672 6.860 1.00 12.43 H new ATOM 0 HB2 LEU A 63 -2.070 -9.204 4.153 1.00 72.41 H new ATOM 0 HB3 LEU A 63 -0.864 -10.319 4.763 1.00 72.41 H new ATOM 0 HG LEU A 63 -3.247 -9.511 6.454 1.00 2.23 H new ATOM 0 HD11 LEU A 63 -4.388 -11.562 5.632 1.00 61.20 H new ATOM 0 HD12 LEU A 63 -4.113 -10.398 4.313 1.00 61.20 H new ATOM 0 HD13 LEU A 63 -3.064 -11.827 4.473 1.00 61.20 H new ATOM 0 HD21 LEU A 63 -2.813 -11.686 7.546 1.00 52.40 H new ATOM 0 HD22 LEU A 63 -1.451 -11.969 6.436 1.00 52.40 H new ATOM 0 HD23 LEU A 63 -1.383 -10.629 7.605 1.00 52.40 H new ATOM 1019 N GLN A 64 0.762 -7.090 4.604 1.00 41.43 N ATOM 1020 CA GLN A 64 2.059 -6.772 4.055 1.00 22.41 C ATOM 1021 C GLN A 64 2.938 -6.040 5.065 1.00 15.13 C ATOM 1022 O GLN A 64 3.965 -5.517 4.663 1.00 4.23 O ATOM 1023 CB GLN A 64 1.962 -6.071 2.692 1.00 23.25 C ATOM 1024 CG GLN A 64 0.952 -6.778 1.784 1.00 42.53 C ATOM 1025 CD GLN A 64 1.239 -6.757 0.294 1.00 75.32 C ATOM 1026 OE1 GLN A 64 2.230 -6.226 -0.200 1.00 42.40 O ATOM 1027 NE2 GLN A 64 0.359 -7.419 -0.435 1.00 64.01 N ATOM 0 H GLN A 64 0.060 -6.369 4.437 1.00 41.43 H new ATOM 0 HA GLN A 64 2.567 -7.715 3.851 1.00 22.41 H new ATOM 0 HB2 GLN A 64 1.665 -5.032 2.833 1.00 23.25 H new ATOM 0 HB3 GLN A 64 2.941 -6.060 2.214 1.00 23.25 H new ATOM 0 HG2 GLN A 64 0.880 -7.818 2.101 1.00 42.53 H new ATOM 0 HG3 GLN A 64 -0.026 -6.326 1.948 1.00 42.53 H new ATOM 0 HE21 GLN A 64 -0.453 -7.847 0.010 1.00 64.01 H new ATOM 0 HE22 GLN A 64 0.491 -7.502 -1.443 1.00 64.01 H new ATOM 1036 N HIS A 65 2.558 -5.922 6.341 1.00 42.44 N ATOM 1037 CA HIS A 65 3.340 -5.290 7.385 1.00 24.11 C ATOM 1038 C HIS A 65 4.428 -6.281 7.779 1.00 11.21 C ATOM 1039 O HIS A 65 4.124 -7.387 8.231 1.00 10.25 O ATOM 1040 CB HIS A 65 2.443 -5.015 8.593 1.00 72.42 C ATOM 1041 CG HIS A 65 3.122 -4.264 9.708 1.00 45.35 C ATOM 1042 ND1 HIS A 65 4.025 -3.214 9.546 1.00 54.31 N ATOM 1043 CD2 HIS A 65 2.892 -4.449 11.036 1.00 34.22 C ATOM 1044 CE1 HIS A 65 4.309 -2.784 10.787 1.00 52.03 C ATOM 1045 NE2 HIS A 65 3.639 -3.504 11.700 1.00 2.35 N ATOM 0 H HIS A 65 1.664 -6.280 6.678 1.00 42.44 H new ATOM 0 HA HIS A 65 3.768 -4.347 7.044 1.00 24.11 H new ATOM 0 HB2 HIS A 65 1.573 -4.446 8.264 1.00 72.42 H new ATOM 0 HB3 HIS A 65 2.074 -5.964 8.981 1.00 72.42 H new ATOM 0 HD2 HIS A 65 2.248 -5.193 11.482 1.00 34.22 H new ATOM 0 HE1 HIS A 65 4.983 -1.972 11.018 1.00 52.03 H new ATOM 0 HE2 HIS A 65 3.677 -3.373 12.711 1.00 2.35 H new ATOM 1053 N GLY A 66 5.686 -5.906 7.589 1.00 4.20 N ATOM 1054 CA GLY A 66 6.830 -6.744 7.931 1.00 41.35 C ATOM 1055 C GLY A 66 7.367 -7.608 6.787 1.00 64.22 C ATOM 1056 O GLY A 66 8.236 -8.446 7.040 1.00 1.25 O ATOM 0 H GLY A 66 5.944 -5.004 7.190 1.00 4.20 H new ATOM 0 HA2 GLY A 66 7.635 -6.103 8.291 1.00 41.35 H new ATOM 0 HA3 GLY A 66 6.548 -7.397 8.757 1.00 41.35 H new ATOM 1060 N THR A 67 6.830 -7.513 5.571 1.00 11.32 N ATOM 1061 CA THR A 67 7.304 -8.273 4.428 1.00 24.22 C ATOM 1062 C THR A 67 8.697 -7.759 4.072 1.00 73.40 C ATOM 1063 O THR A 67 8.999 -6.571 4.233 1.00 14.11 O ATOM 1064 CB THR A 67 6.356 -8.100 3.223 1.00 11.23 C ATOM 1065 OG1 THR A 67 6.094 -6.727 2.993 1.00 12.13 O ATOM 1066 CG2 THR A 67 5.026 -8.814 3.456 1.00 72.31 C ATOM 0 H THR A 67 6.045 -6.898 5.356 1.00 11.32 H new ATOM 0 HA THR A 67 7.335 -9.334 4.676 1.00 24.22 H new ATOM 0 HB THR A 67 6.852 -8.538 2.357 1.00 11.23 H new ATOM 0 HG1 THR A 67 5.346 -6.438 3.556 1.00 12.13 H new ATOM 0 HG21 THR A 67 4.381 -8.673 2.589 1.00 72.31 H new ATOM 0 HG22 THR A 67 5.206 -9.879 3.605 1.00 72.31 H new ATOM 0 HG23 THR A 67 4.541 -8.401 4.340 1.00 72.31 H new ATOM 1074 N LEU A 68 9.567 -8.663 3.623 1.00 23.01 N ATOM 1075 CA LEU A 68 10.907 -8.289 3.213 1.00 55.10 C ATOM 1076 C LEU A 68 10.778 -8.046 1.718 1.00 65.15 C ATOM 1077 O LEU A 68 10.576 -8.986 0.952 1.00 62.12 O ATOM 1078 CB LEU A 68 11.924 -9.401 3.500 1.00 53.42 C ATOM 1079 CG LEU A 68 12.136 -9.755 4.981 1.00 43.31 C ATOM 1080 CD1 LEU A 68 13.260 -10.771 5.150 1.00 43.40 C ATOM 1081 CD2 LEU A 68 12.518 -8.529 5.802 1.00 74.41 C ATOM 0 H LEU A 68 9.361 -9.658 3.536 1.00 23.01 H new ATOM 0 HA LEU A 68 11.273 -7.418 3.757 1.00 55.10 H new ATOM 0 HB2 LEU A 68 11.606 -10.301 2.974 1.00 53.42 H new ATOM 0 HB3 LEU A 68 12.884 -9.106 3.076 1.00 53.42 H new ATOM 0 HG LEU A 68 11.189 -10.165 5.331 1.00 43.31 H new ATOM 0 HD11 LEU A 68 13.386 -11.001 6.208 1.00 43.40 H new ATOM 0 HD12 LEU A 68 13.011 -11.683 4.607 1.00 43.40 H new ATOM 0 HD13 LEU A 68 14.188 -10.356 4.756 1.00 43.40 H new ATOM 0 HD21 LEU A 68 12.660 -8.818 6.843 1.00 74.41 H new ATOM 0 HD22 LEU A 68 13.444 -8.105 5.414 1.00 74.41 H new ATOM 0 HD23 LEU A 68 11.724 -7.785 5.737 1.00 74.41 H new ATOM 1093 N LEU A 69 10.833 -6.789 1.298 1.00 0.23 N ATOM 1094 CA LEU A 69 10.740 -6.390 -0.102 1.00 62.34 C ATOM 1095 C LEU A 69 12.170 -6.007 -0.442 1.00 22.14 C ATOM 1096 O LEU A 69 12.682 -5.063 0.157 1.00 52.31 O ATOM 1097 CB LEU A 69 9.709 -5.254 -0.289 1.00 74.23 C ATOM 1098 CG LEU A 69 8.726 -5.549 -1.441 1.00 32.43 C ATOM 1099 CD1 LEU A 69 7.576 -4.538 -1.454 1.00 44.13 C ATOM 1100 CD2 LEU A 69 9.395 -5.517 -2.817 1.00 62.15 C ATOM 0 H LEU A 69 10.946 -6.000 1.935 1.00 0.23 H new ATOM 0 HA LEU A 69 10.372 -7.167 -0.772 1.00 62.34 H new ATOM 0 HB2 LEU A 69 9.151 -5.115 0.637 1.00 74.23 H new ATOM 0 HB3 LEU A 69 10.232 -4.319 -0.489 1.00 74.23 H new ATOM 0 HG LEU A 69 8.353 -6.556 -1.255 1.00 32.43 H new ATOM 0 HD11 LEU A 69 6.898 -4.769 -2.276 1.00 44.13 H new ATOM 0 HD12 LEU A 69 7.034 -4.592 -0.510 1.00 44.13 H new ATOM 0 HD13 LEU A 69 7.977 -3.533 -1.586 1.00 44.13 H new ATOM 0 HD21 LEU A 69 8.654 -5.732 -3.587 1.00 62.15 H new ATOM 0 HD22 LEU A 69 9.823 -4.530 -2.991 1.00 62.15 H new ATOM 0 HD23 LEU A 69 10.185 -6.267 -2.855 1.00 62.15 H new ATOM 1112 N LYS A 70 12.818 -6.740 -1.355 1.00 24.45 N ATOM 1113 CA LYS A 70 14.216 -6.520 -1.750 1.00 23.42 C ATOM 1114 C LYS A 70 15.104 -6.386 -0.513 1.00 32.01 C ATOM 1115 O LYS A 70 15.758 -5.372 -0.275 1.00 55.02 O ATOM 1116 CB LYS A 70 14.381 -5.370 -2.740 1.00 60.25 C ATOM 1117 CG LYS A 70 13.688 -5.670 -4.080 1.00 62.22 C ATOM 1118 CD LYS A 70 12.532 -4.716 -4.373 1.00 41.43 C ATOM 1119 CE LYS A 70 13.019 -3.413 -5.010 1.00 53.11 C ATOM 1120 NZ LYS A 70 13.534 -3.585 -6.385 1.00 51.04 N ATOM 0 H LYS A 70 12.379 -7.517 -1.849 1.00 24.45 H new ATOM 0 HA LYS A 70 14.551 -7.401 -2.297 1.00 23.42 H new ATOM 0 HB2 LYS A 70 13.965 -4.458 -2.311 1.00 60.25 H new ATOM 0 HB3 LYS A 70 15.442 -5.187 -2.912 1.00 60.25 H new ATOM 0 HG2 LYS A 70 14.420 -5.605 -4.885 1.00 62.22 H new ATOM 0 HG3 LYS A 70 13.315 -6.694 -4.070 1.00 62.22 H new ATOM 0 HD2 LYS A 70 11.819 -5.202 -5.039 1.00 41.43 H new ATOM 0 HD3 LYS A 70 12.002 -4.492 -3.447 1.00 41.43 H new ATOM 0 HE2 LYS A 70 12.198 -2.696 -5.025 1.00 53.11 H new ATOM 0 HE3 LYS A 70 13.804 -2.985 -4.387 1.00 53.11 H new ATOM 0 HZ1 LYS A 70 13.656 -2.653 -6.829 1.00 51.04 H new ATOM 0 HZ2 LYS A 70 14.450 -4.076 -6.354 1.00 51.04 H new ATOM 0 HZ3 LYS A 70 12.859 -4.148 -6.941 1.00 51.04 H new ATOM 1134 N GLU A 71 15.040 -7.433 0.304 1.00 35.15 N ATOM 1135 CA GLU A 71 15.784 -7.636 1.545 1.00 72.13 C ATOM 1136 C GLU A 71 15.534 -6.581 2.631 1.00 62.40 C ATOM 1137 O GLU A 71 16.266 -6.556 3.628 1.00 42.53 O ATOM 1138 CB GLU A 71 17.286 -7.734 1.214 1.00 1.35 C ATOM 1139 CG GLU A 71 17.601 -8.753 0.112 1.00 73.23 C ATOM 1140 CD GLU A 71 19.058 -8.666 -0.308 1.00 44.41 C ATOM 1141 OE1 GLU A 71 19.383 -7.840 -1.181 1.00 75.34 O ATOM 1142 OE2 GLU A 71 19.871 -9.484 0.188 1.00 52.04 O ATOM 0 H GLU A 71 14.422 -8.219 0.102 1.00 35.15 H new ATOM 0 HA GLU A 71 15.415 -8.565 1.979 1.00 72.13 H new ATOM 0 HB2 GLU A 71 17.647 -6.753 0.906 1.00 1.35 H new ATOM 0 HB3 GLU A 71 17.833 -8.006 2.117 1.00 1.35 H new ATOM 0 HG2 GLU A 71 17.381 -9.759 0.468 1.00 73.23 H new ATOM 0 HG3 GLU A 71 16.959 -8.572 -0.750 1.00 73.23 H new ATOM 1149 N LYS A 72 14.506 -5.739 2.501 1.00 53.11 N ATOM 1150 CA LYS A 72 14.182 -4.685 3.456 1.00 44.13 C ATOM 1151 C LYS A 72 12.812 -4.892 4.066 1.00 72.13 C ATOM 1152 O LYS A 72 11.814 -4.936 3.350 1.00 31.44 O ATOM 1153 CB LYS A 72 14.290 -3.315 2.756 1.00 32.34 C ATOM 1154 CG LYS A 72 15.683 -2.704 2.967 1.00 31.42 C ATOM 1155 CD LYS A 72 15.796 -2.038 4.346 1.00 10.42 C ATOM 1156 CE LYS A 72 15.266 -0.604 4.285 1.00 74.01 C ATOM 1157 NZ LYS A 72 14.749 -0.118 5.581 1.00 53.01 N ATOM 0 H LYS A 72 13.863 -5.775 1.710 1.00 53.11 H new ATOM 0 HA LYS A 72 14.896 -4.719 4.279 1.00 44.13 H new ATOM 0 HB2 LYS A 72 14.096 -3.430 1.690 1.00 32.34 H new ATOM 0 HB3 LYS A 72 13.529 -2.640 3.148 1.00 32.34 H new ATOM 0 HG2 LYS A 72 16.442 -3.481 2.873 1.00 31.42 H new ATOM 0 HG3 LYS A 72 15.882 -1.968 2.188 1.00 31.42 H new ATOM 0 HD2 LYS A 72 15.232 -2.611 5.082 1.00 10.42 H new ATOM 0 HD3 LYS A 72 16.836 -2.036 4.673 1.00 10.42 H new ATOM 0 HE2 LYS A 72 16.065 0.057 3.949 1.00 74.01 H new ATOM 0 HE3 LYS A 72 14.472 -0.549 3.541 1.00 74.01 H new ATOM 0 HZ1 LYS A 72 13.736 0.101 5.491 1.00 53.01 H new ATOM 0 HZ2 LYS A 72 14.881 -0.853 6.305 1.00 53.01 H new ATOM 0 HZ3 LYS A 72 15.265 0.740 5.861 1.00 53.01 H new ATOM 1171 N LYS A 73 12.771 -5.036 5.391 1.00 2.22 N ATOM 1172 CA LYS A 73 11.538 -5.211 6.143 1.00 22.44 C ATOM 1173 C LYS A 73 10.818 -3.873 6.127 1.00 43.32 C ATOM 1174 O LYS A 73 11.351 -2.898 6.664 1.00 42.43 O ATOM 1175 CB LYS A 73 11.877 -5.650 7.578 1.00 50.12 C ATOM 1176 CG LYS A 73 10.661 -6.177 8.353 1.00 33.21 C ATOM 1177 CD LYS A 73 10.809 -7.651 8.776 1.00 12.12 C ATOM 1178 CE LYS A 73 9.736 -8.021 9.805 1.00 24.22 C ATOM 1179 NZ LYS A 73 10.054 -7.513 11.154 1.00 30.34 N ATOM 0 H LYS A 73 13.607 -5.034 5.976 1.00 2.22 H new ATOM 0 HA LYS A 73 10.900 -5.980 5.708 1.00 22.44 H new ATOM 0 HB2 LYS A 73 12.641 -6.426 7.542 1.00 50.12 H new ATOM 0 HB3 LYS A 73 12.305 -4.805 8.118 1.00 50.12 H new ATOM 0 HG2 LYS A 73 10.509 -5.563 9.241 1.00 33.21 H new ATOM 0 HG3 LYS A 73 9.769 -6.070 7.735 1.00 33.21 H new ATOM 0 HD2 LYS A 73 10.723 -8.297 7.902 1.00 12.12 H new ATOM 0 HD3 LYS A 73 11.800 -7.817 9.199 1.00 12.12 H new ATOM 0 HE2 LYS A 73 8.775 -7.619 9.485 1.00 24.22 H new ATOM 0 HE3 LYS A 73 9.631 -9.105 9.843 1.00 24.22 H new ATOM 0 HZ1 LYS A 73 9.354 -7.873 11.834 1.00 30.34 H new ATOM 0 HZ2 LYS A 73 11.004 -7.834 11.431 1.00 30.34 H new ATOM 0 HZ3 LYS A 73 10.028 -6.473 11.148 1.00 30.34 H new ATOM 1193 N ILE A 74 9.644 -3.796 5.512 1.00 42.02 N ATOM 1194 CA ILE A 74 8.865 -2.566 5.441 1.00 54.40 C ATOM 1195 C ILE A 74 7.727 -2.599 6.471 1.00 43.35 C ATOM 1196 O ILE A 74 7.567 -3.579 7.205 1.00 43.40 O ATOM 1197 CB ILE A 74 8.549 -2.158 3.981 1.00 11.24 C ATOM 1198 CG1 ILE A 74 7.601 -3.076 3.211 1.00 54.43 C ATOM 1199 CG2 ILE A 74 9.860 -2.017 3.192 1.00 2.44 C ATOM 1200 CD1 ILE A 74 7.347 -2.752 1.741 1.00 5.12 C ATOM 0 H ILE A 74 9.203 -4.589 5.046 1.00 42.02 H new ATOM 0 HA ILE A 74 9.453 -1.705 5.760 1.00 54.40 H new ATOM 0 HB ILE A 74 8.014 -1.212 4.072 1.00 11.24 H new ATOM 0 HG12 ILE A 74 7.994 -4.091 3.269 1.00 54.43 H new ATOM 0 HG13 ILE A 74 6.641 -3.077 3.726 1.00 54.43 H new ATOM 0 HG21 ILE A 74 9.637 -1.730 2.164 1.00 2.44 H new ATOM 0 HG22 ILE A 74 10.483 -1.252 3.655 1.00 2.44 H new ATOM 0 HG23 ILE A 74 10.391 -2.969 3.196 1.00 2.44 H new ATOM 0 HD11 ILE A 74 6.657 -3.484 1.321 1.00 5.12 H new ATOM 0 HD12 ILE A 74 6.914 -1.755 1.658 1.00 5.12 H new ATOM 0 HD13 ILE A 74 8.289 -2.785 1.193 1.00 5.12 H new ATOM 1212 N ASN A 75 7.040 -1.476 6.666 1.00 24.23 N ATOM 1213 CA ASN A 75 5.933 -1.336 7.612 1.00 72.04 C ATOM 1214 C ASN A 75 4.680 -0.917 6.873 1.00 43.32 C ATOM 1215 O ASN A 75 4.803 -0.209 5.881 1.00 13.45 O ATOM 1216 CB ASN A 75 6.269 -0.264 8.677 1.00 54.01 C ATOM 1217 CG ASN A 75 6.646 1.128 8.162 1.00 10.25 C ATOM 1218 OD1 ASN A 75 7.786 1.571 8.253 1.00 11.22 O ATOM 1219 ND2 ASN A 75 5.703 1.894 7.643 1.00 4.52 N ATOM 0 H ASN A 75 7.242 -0.615 6.158 1.00 24.23 H new ATOM 0 HA ASN A 75 5.772 -2.296 8.103 1.00 72.04 H new ATOM 0 HB2 ASN A 75 5.408 -0.160 9.337 1.00 54.01 H new ATOM 0 HB3 ASN A 75 7.094 -0.636 9.285 1.00 54.01 H new ATOM 0 HD21 ASN A 75 5.929 2.837 7.326 1.00 4.52 H new ATOM 0 HD22 ASN A 75 4.749 1.543 7.559 1.00 4.52 H new ATOM 1226 N VAL A 76 3.496 -1.271 7.378 1.00 61.35 N ATOM 1227 CA VAL A 76 2.211 -0.918 6.795 1.00 33.14 C ATOM 1228 C VAL A 76 1.258 -0.503 7.931 1.00 14.21 C ATOM 1229 O VAL A 76 1.212 -1.176 8.964 1.00 33.30 O ATOM 1230 CB VAL A 76 1.662 -2.120 6.000 1.00 55.32 C ATOM 1231 CG1 VAL A 76 0.278 -1.792 5.432 1.00 24.30 C ATOM 1232 CG2 VAL A 76 2.547 -2.521 4.817 1.00 65.22 C ATOM 0 H VAL A 76 3.408 -1.827 8.229 1.00 61.35 H new ATOM 0 HA VAL A 76 2.313 -0.082 6.103 1.00 33.14 H new ATOM 0 HB VAL A 76 1.628 -2.947 6.710 1.00 55.32 H new ATOM 0 HG11 VAL A 76 -0.098 -2.649 4.873 1.00 24.30 H new ATOM 0 HG12 VAL A 76 -0.406 -1.563 6.249 1.00 24.30 H new ATOM 0 HG13 VAL A 76 0.352 -0.930 4.769 1.00 24.30 H new ATOM 0 HG21 VAL A 76 2.102 -3.372 4.302 1.00 65.22 H new ATOM 0 HG22 VAL A 76 2.632 -1.683 4.126 1.00 65.22 H new ATOM 0 HG23 VAL A 76 3.538 -2.794 5.180 1.00 65.22 H new ATOM 1242 N GLU A 77 0.507 0.593 7.772 1.00 61.02 N ATOM 1243 CA GLU A 77 -0.463 1.083 8.756 1.00 1.02 C ATOM 1244 C GLU A 77 -1.583 1.866 8.064 1.00 41.31 C ATOM 1245 O GLU A 77 -1.384 2.426 6.984 1.00 50.32 O ATOM 1246 CB GLU A 77 0.177 1.894 9.903 1.00 63.02 C ATOM 1247 CG GLU A 77 1.362 2.821 9.582 1.00 71.22 C ATOM 1248 CD GLU A 77 2.142 3.304 10.820 1.00 13.03 C ATOM 1249 OE1 GLU A 77 2.214 2.589 11.847 1.00 1.04 O ATOM 1250 OE2 GLU A 77 2.815 4.360 10.715 1.00 32.44 O ATOM 0 H GLU A 77 0.559 1.176 6.937 1.00 61.02 H new ATOM 0 HA GLU A 77 -0.895 0.203 9.232 1.00 1.02 H new ATOM 0 HB2 GLU A 77 -0.606 2.503 10.354 1.00 63.02 H new ATOM 0 HB3 GLU A 77 0.508 1.186 10.663 1.00 63.02 H new ATOM 0 HG2 GLU A 77 2.048 2.297 8.916 1.00 71.22 H new ATOM 0 HG3 GLU A 77 0.992 3.690 9.038 1.00 71.22 H new ATOM 1257 N LEU A 78 -2.771 1.892 8.681 1.00 52.41 N ATOM 1258 CA LEU A 78 -3.946 2.585 8.169 1.00 0.54 C ATOM 1259 C LEU A 78 -3.845 4.076 8.411 1.00 12.43 C ATOM 1260 O LEU A 78 -3.403 4.509 9.481 1.00 72.13 O ATOM 1261 CB LEU A 78 -5.203 2.091 8.903 1.00 3.54 C ATOM 1262 CG LEU A 78 -6.302 1.534 8.003 1.00 61.53 C ATOM 1263 CD1 LEU A 78 -6.846 2.588 7.029 1.00 72.25 C ATOM 1264 CD2 LEU A 78 -5.814 0.279 7.279 1.00 70.34 C ATOM 0 H LEU A 78 -2.939 1.420 9.569 1.00 52.41 H new ATOM 0 HA LEU A 78 -4.006 2.382 7.100 1.00 0.54 H new ATOM 0 HB2 LEU A 78 -4.910 1.318 9.613 1.00 3.54 H new ATOM 0 HB3 LEU A 78 -5.614 2.917 9.483 1.00 3.54 H new ATOM 0 HG LEU A 78 -7.141 1.251 8.638 1.00 61.53 H new ATOM 0 HD11 LEU A 78 -7.626 2.144 6.410 1.00 72.25 H new ATOM 0 HD12 LEU A 78 -7.262 3.424 7.592 1.00 72.25 H new ATOM 0 HD13 LEU A 78 -6.037 2.946 6.392 1.00 72.25 H new ATOM 0 HD21 LEU A 78 -6.610 -0.106 6.641 1.00 70.34 H new ATOM 0 HD22 LEU A 78 -4.946 0.526 6.667 1.00 70.34 H new ATOM 0 HD23 LEU A 78 -5.538 -0.479 8.012 1.00 70.34 H new ATOM 1276 N THR A 79 -4.343 4.843 7.452 1.00 51.24 N ATOM 1277 CA THR A 79 -4.363 6.292 7.475 1.00 43.11 C ATOM 1278 C THR A 79 -5.676 6.812 6.887 1.00 61.52 C ATOM 1279 O THR A 79 -6.224 6.259 5.931 1.00 23.44 O ATOM 1280 CB THR A 79 -3.120 6.867 6.779 1.00 52.45 C ATOM 1281 OG1 THR A 79 -2.872 6.287 5.509 1.00 11.22 O ATOM 1282 CG2 THR A 79 -1.870 6.647 7.631 1.00 10.31 C ATOM 0 H THR A 79 -4.759 4.455 6.606 1.00 51.24 H new ATOM 0 HA THR A 79 -4.320 6.638 8.508 1.00 43.11 H new ATOM 0 HB THR A 79 -3.330 7.928 6.648 1.00 52.45 H new ATOM 0 HG1 THR A 79 -3.518 5.568 5.346 1.00 11.22 H new ATOM 0 HG21 THR A 79 -1.002 7.062 7.118 1.00 10.31 H new ATOM 0 HG22 THR A 79 -1.994 7.143 8.594 1.00 10.31 H new ATOM 0 HG23 THR A 79 -1.721 5.579 7.789 1.00 10.31 H new ATOM 1290 N VAL A 80 -6.131 7.926 7.450 1.00 72.55 N ATOM 1291 CA VAL A 80 -7.337 8.659 7.108 1.00 21.14 C ATOM 1292 C VAL A 80 -8.583 7.769 7.114 1.00 74.32 C ATOM 1293 O VAL A 80 -9.031 7.254 6.087 1.00 74.32 O ATOM 1294 CB VAL A 80 -7.144 9.445 5.801 1.00 31.20 C ATOM 1295 CG1 VAL A 80 -8.386 10.305 5.558 1.00 22.34 C ATOM 1296 CG2 VAL A 80 -5.903 10.355 5.859 1.00 12.32 C ATOM 0 H VAL A 80 -5.625 8.371 8.216 1.00 72.55 H new ATOM 0 HA VAL A 80 -7.519 9.395 7.891 1.00 21.14 H new ATOM 0 HB VAL A 80 -6.998 8.731 4.990 1.00 31.20 H new ATOM 0 HG11 VAL A 80 -8.263 10.869 4.633 1.00 22.34 H new ATOM 0 HG12 VAL A 80 -9.263 9.663 5.478 1.00 22.34 H new ATOM 0 HG13 VAL A 80 -8.518 10.997 6.390 1.00 22.34 H new ATOM 0 HG21 VAL A 80 -5.802 10.893 4.916 1.00 12.32 H new ATOM 0 HG22 VAL A 80 -6.014 11.070 6.675 1.00 12.32 H new ATOM 0 HG23 VAL A 80 -5.014 9.747 6.027 1.00 12.32 H new ATOM 1306 N GLY A 81 -9.183 7.635 8.294 1.00 43.22 N ATOM 1307 CA GLY A 81 -10.385 6.846 8.483 1.00 75.51 C ATOM 1308 C GLY A 81 -10.432 6.127 9.824 1.00 3.55 C ATOM 1309 O GLY A 81 -11.501 5.642 10.195 1.00 30.34 O ATOM 0 H GLY A 81 -8.842 8.076 9.148 1.00 43.22 H new ATOM 0 HA2 GLY A 81 -11.255 7.497 8.398 1.00 75.51 H new ATOM 0 HA3 GLY A 81 -10.457 6.110 7.682 1.00 75.51 H new ATOM 1313 N GLY A 82 -9.335 6.106 10.583 1.00 52.22 N ATOM 1314 CA GLY A 82 -9.257 5.459 11.885 1.00 3.32 C ATOM 1315 C GLY A 82 -8.227 4.366 11.820 1.00 72.42 C ATOM 1316 O GLY A 82 -8.584 3.231 11.434 1.00 62.24 O ATOM 0 H GLY A 82 -8.461 6.548 10.300 1.00 52.22 H new ATOM 0 HA2 GLY A 82 -8.989 6.185 12.652 1.00 3.32 H new ATOM 0 HA3 GLY A 82 -10.228 5.047 12.161 1.00 3.32 H new TER 1320 GLY A 82