USER MOD reduce.3.24.130724 H: found=0, std=0, add=790, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 790 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 78 MET CE :methyl -169:sc= -0.259 (180deg=-0.688) USER MOD Set 1.2: A 89 TYR OH : rot 180:sc= -0.0511 USER MOD Set 2.1: A 82 ASN : amide:sc= 1.07 K(o=0.36,f=-14!) USER MOD Set 2.2: A 86 LYS NZ :NH3+ -154:sc= -0.713! (180deg=-4.16!) USER MOD Set 3.1: A 72 GLN : amide:sc=-0.00778 K(o=-0.0078,f=-0.89) USER MOD Set 3.2: A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.1: A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 4.2: A 57 ASN : amide:sc= 1.09 K(o=1.1,f=-1.8!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -177:sc= 0 (180deg=-0.0144) USER MOD Single : A 3 GLN : amide:sc= -1.64 K(o=-1.6,f=-0.89) USER MOD Single : A 5 LYS NZ :NH3+ 161:sc= 1.19 (180deg=0.991) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 179:sc= 1.17 (180deg=1.15) USER MOD Single : A 12 ASN : amide:sc= -0.0072 K(o=-0.0072,f=-0.92) USER MOD Single : A 13 GLN : amide:sc= -0.649 K(o=-0.65,f=0) USER MOD Single : A 18 ASN : amide:sc= -0.0998 K(o=-0.1,f=-2.3!) USER MOD Single : A 21 GLN : amide:sc= 0.586 K(o=0.59,f=0) USER MOD Single : A 28 GLN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= 0.078 K(o=0.078,f=-7!) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0905) USER MOD Single : A 52 GLN : amide:sc= -3.7! K(o=-3.7!,f=-0.24) USER MOD Single : A 53 LYS NZ :NH3+ 160:sc= -0.0308 (180deg=-0.27) USER MOD Single : A 56 ASN : amide:sc= -0.0377 K(o=-0.038,f=-1.2) USER MOD Single : A 58 TYR OH : rot 120:sc= 0 USER MOD Single : A 59 GLN : amide:sc= -0.994 K(o=-0.99,f=-2.9!) USER MOD Single : A 60 SER OG : rot 69:sc= 1.2 USER MOD Single : A 65 ASN : amide:sc= 1.11 K(o=1.1,f=-0.58) USER MOD Single : A 68 SER OG : rot -101:sc= 1.25 USER MOD Single : A 76 MET CE :methyl -121:sc= -0.0757 (180deg=-0.885) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= 0.907 K(o=0.91,f=-8.8!) USER MOD Single : A 88 MET CE :methyl 174:sc= -0.447 (180deg=-0.57) USER MOD Single : A 90 ASN : amide:sc= -0.624 K(o=-0.62,f=-2.2!) USER MOD Single : A 91 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 94 HIS : no HE2:sc= 1.16 K(o=1.2,f=-4.2!) USER MOD Single : A 95 HIS : no HE2:sc= 0.224 K(o=0.22,f=-4.3!) USER MOD Single : A 96 HIS : no HD1:sc= -0.0162 X(o=-0.016,f=-0.015) USER MOD Single : A 97 HIS : no HD1:sc=-0.00491 X(o=-0.0049,f=-0.012) USER MOD Single : A 98 HIS : no HD1:sc=-0.00343 X(o=-0.0034,f=0) USER MOD Single : A 99 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.747 11.492 15.840 1.00 50.11 N ATOM 2 CA MET A 1 -2.506 12.111 14.516 1.00 55.10 C ATOM 3 C MET A 1 -3.216 11.320 13.428 1.00 5.42 C ATOM 4 O MET A 1 -2.828 10.197 13.102 1.00 73.23 O ATOM 5 CB MET A 1 -1.006 12.189 14.211 1.00 44.44 C ATOM 6 CG MET A 1 -0.256 13.189 15.075 1.00 34.01 C ATOM 7 SD MET A 1 1.497 13.278 14.663 1.00 44.12 S ATOM 8 CE MET A 1 2.052 14.530 15.817 1.00 43.20 C ATOM 0 H1 MET A 1 -2.299 12.070 16.580 1.00 50.11 H new ATOM 0 H2 MET A 1 -3.770 11.436 16.016 1.00 50.11 H new ATOM 0 H3 MET A 1 -2.340 10.535 15.855 1.00 50.11 H new ATOM 0 HA MET A 1 -2.905 13.125 14.539 1.00 55.10 H new ATOM 0 HB2 MET A 1 -0.565 11.202 14.348 1.00 44.44 H new ATOM 0 HB3 MET A 1 -0.871 12.456 13.163 1.00 44.44 H new ATOM 0 HG2 MET A 1 -0.704 14.175 14.956 1.00 34.01 H new ATOM 0 HG3 MET A 1 -0.366 12.913 16.124 1.00 34.01 H new ATOM 0 HE1 MET A 1 3.121 14.698 15.685 1.00 43.20 H new ATOM 0 HE2 MET A 1 1.513 15.459 15.633 1.00 43.20 H new ATOM 0 HE3 MET A 1 1.860 14.196 16.837 1.00 43.20 H new ATOM 20 N ASP A 2 -4.240 11.928 12.848 1.00 2.34 N ATOM 21 CA ASP A 2 -5.117 11.242 11.904 1.00 62.35 C ATOM 22 C ASP A 2 -4.603 11.379 10.476 1.00 30.43 C ATOM 23 O ASP A 2 -5.378 11.326 9.520 1.00 15.21 O ATOM 24 CB ASP A 2 -6.535 11.808 11.998 1.00 14.40 C ATOM 25 CG ASP A 2 -7.077 11.789 13.415 1.00 5.14 C ATOM 26 OD1 ASP A 2 -6.839 12.765 14.159 1.00 4.41 O ATOM 27 OD2 ASP A 2 -7.738 10.801 13.791 1.00 1.13 O ATOM 0 H ASP A 2 -4.487 12.903 13.015 1.00 2.34 H new ATOM 0 HA ASP A 2 -5.130 10.184 12.165 1.00 62.35 H new ATOM 0 HB2 ASP A 2 -6.539 12.832 11.625 1.00 14.40 H new ATOM 0 HB3 ASP A 2 -7.196 11.231 11.352 1.00 14.40 H new ATOM 32 N GLN A 3 -3.289 11.525 10.344 1.00 10.34 N ATOM 33 CA GLN A 3 -2.640 11.661 9.041 1.00 61.11 C ATOM 34 C GLN A 3 -2.986 10.457 8.158 1.00 62.13 C ATOM 35 O GLN A 3 -3.245 10.596 6.965 1.00 52.34 O ATOM 36 CB GLN A 3 -1.122 11.769 9.235 1.00 63.41 C ATOM 37 CG GLN A 3 -0.418 12.712 8.266 1.00 42.32 C ATOM 38 CD GLN A 3 -0.387 12.204 6.838 1.00 4.31 C ATOM 39 OE1 GLN A 3 -1.263 12.511 6.033 1.00 14.24 O ATOM 40 NE2 GLN A 3 0.628 11.420 6.520 1.00 73.32 N ATOM 0 H GLN A 3 -2.644 11.553 11.133 1.00 10.34 H new ATOM 0 HA GLN A 3 -2.998 12.565 8.547 1.00 61.11 H new ATOM 0 HB2 GLN A 3 -0.923 12.103 10.253 1.00 63.41 H new ATOM 0 HB3 GLN A 3 -0.686 10.775 9.134 1.00 63.41 H new ATOM 0 HG2 GLN A 3 -0.918 13.680 8.287 1.00 42.32 H new ATOM 0 HG3 GLN A 3 0.604 12.873 8.608 1.00 42.32 H new ATOM 0 HE21 GLN A 3 1.334 11.190 7.220 1.00 73.32 H new ATOM 0 HE22 GLN A 3 0.706 11.045 5.575 1.00 73.32 H new ATOM 49 N LEU A 4 -3.009 9.277 8.772 1.00 12.32 N ATOM 50 CA LEU A 4 -3.368 8.047 8.080 1.00 60.34 C ATOM 51 C LEU A 4 -4.768 8.130 7.479 1.00 12.11 C ATOM 52 O LEU A 4 -4.995 7.664 6.363 1.00 32.31 O ATOM 53 CB LEU A 4 -3.280 6.863 9.042 1.00 73.44 C ATOM 54 CG LEU A 4 -1.860 6.503 9.484 1.00 14.42 C ATOM 55 CD1 LEU A 4 -1.883 5.392 10.521 1.00 1.02 C ATOM 56 CD2 LEU A 4 -1.020 6.092 8.283 1.00 53.33 C ATOM 0 H LEU A 4 -2.780 9.149 9.758 1.00 12.32 H new ATOM 0 HA LEU A 4 -2.662 7.904 7.262 1.00 60.34 H new ATOM 0 HB2 LEU A 4 -3.876 7.086 9.927 1.00 73.44 H new ATOM 0 HB3 LEU A 4 -3.730 5.992 8.566 1.00 73.44 H new ATOM 0 HG LEU A 4 -1.409 7.385 9.940 1.00 14.42 H new ATOM 0 HD11 LEU A 4 -0.863 5.153 10.820 1.00 1.02 H new ATOM 0 HD12 LEU A 4 -2.450 5.720 11.393 1.00 1.02 H new ATOM 0 HD13 LEU A 4 -2.353 4.506 10.095 1.00 1.02 H new ATOM 0 HD21 LEU A 4 -0.013 5.839 8.613 1.00 53.33 H new ATOM 0 HD22 LEU A 4 -1.473 5.225 7.802 1.00 53.33 H new ATOM 0 HD23 LEU A 4 -0.972 6.917 7.573 1.00 53.33 H new ATOM 68 N LYS A 5 -5.705 8.729 8.210 1.00 4.30 N ATOM 69 CA LYS A 5 -7.068 8.855 7.717 1.00 31.22 C ATOM 70 C LYS A 5 -7.126 9.857 6.577 1.00 13.44 C ATOM 71 O LYS A 5 -7.845 9.650 5.607 1.00 51.33 O ATOM 72 CB LYS A 5 -8.032 9.264 8.831 1.00 41.13 C ATOM 73 CG LYS A 5 -9.453 9.480 8.333 1.00 33.11 C ATOM 74 CD LYS A 5 -10.419 9.739 9.471 1.00 25.33 C ATOM 75 CE LYS A 5 -11.795 10.125 8.954 1.00 53.03 C ATOM 76 NZ LYS A 5 -12.349 9.117 8.011 1.00 32.13 N ATOM 0 H LYS A 5 -5.546 9.129 9.134 1.00 4.30 H new ATOM 0 HA LYS A 5 -7.380 7.878 7.349 1.00 31.22 H new ATOM 0 HB2 LYS A 5 -8.036 8.494 9.603 1.00 41.13 H new ATOM 0 HB3 LYS A 5 -7.672 10.181 9.298 1.00 41.13 H new ATOM 0 HG2 LYS A 5 -9.471 10.323 7.643 1.00 33.11 H new ATOM 0 HG3 LYS A 5 -9.778 8.603 7.773 1.00 33.11 H new ATOM 0 HD2 LYS A 5 -10.499 8.847 10.092 1.00 25.33 H new ATOM 0 HD3 LYS A 5 -10.031 10.535 10.106 1.00 25.33 H new ATOM 0 HE2 LYS A 5 -12.477 10.244 9.796 1.00 53.03 H new ATOM 0 HE3 LYS A 5 -11.734 11.092 8.454 1.00 53.03 H new ATOM 0 HZ1 LYS A 5 -13.379 9.241 7.936 1.00 32.13 H new ATOM 0 HZ2 LYS A 5 -11.916 9.244 7.074 1.00 32.13 H new ATOM 0 HZ3 LYS A 5 -12.140 8.161 8.363 1.00 32.13 H new ATOM 90 N THR A 6 -6.351 10.929 6.693 1.00 63.22 N ATOM 91 CA THR A 6 -6.245 11.918 5.631 1.00 61.42 C ATOM 92 C THR A 6 -5.859 11.242 4.320 1.00 43.44 C ATOM 93 O THR A 6 -6.429 11.524 3.263 1.00 54.21 O ATOM 94 CB THR A 6 -5.200 12.991 5.993 1.00 21.41 C ATOM 95 OG1 THR A 6 -5.581 13.630 7.219 1.00 40.22 O ATOM 96 CG2 THR A 6 -5.064 14.031 4.890 1.00 53.12 C ATOM 0 H THR A 6 -5.785 11.135 7.516 1.00 63.22 H new ATOM 0 HA THR A 6 -7.215 12.400 5.512 1.00 61.42 H new ATOM 0 HB THR A 6 -4.233 12.502 6.111 1.00 21.41 H new ATOM 0 HG1 THR A 6 -4.917 14.312 7.453 1.00 40.22 H new ATOM 0 HG21 THR A 6 -4.319 14.772 5.179 1.00 53.12 H new ATOM 0 HG22 THR A 6 -4.752 13.543 3.967 1.00 53.12 H new ATOM 0 HG23 THR A 6 -6.024 14.523 4.734 1.00 53.12 H new ATOM 104 N ILE A 7 -4.911 10.321 4.412 1.00 72.21 N ATOM 105 CA ILE A 7 -4.477 9.543 3.264 1.00 64.20 C ATOM 106 C ILE A 7 -5.598 8.629 2.768 1.00 3.42 C ATOM 107 O ILE A 7 -5.840 8.533 1.563 1.00 14.35 O ATOM 108 CB ILE A 7 -3.239 8.704 3.618 1.00 34.30 C ATOM 109 CG1 ILE A 7 -2.122 9.623 4.118 1.00 0.44 C ATOM 110 CG2 ILE A 7 -2.776 7.907 2.408 1.00 35.10 C ATOM 111 CD1 ILE A 7 -0.986 8.894 4.800 1.00 2.04 C ATOM 0 H ILE A 7 -4.424 10.094 5.279 1.00 72.21 H new ATOM 0 HA ILE A 7 -4.218 10.240 2.467 1.00 64.20 H new ATOM 0 HB ILE A 7 -3.498 8.000 4.409 1.00 34.30 H new ATOM 0 HG12 ILE A 7 -1.724 10.187 3.274 1.00 0.44 H new ATOM 0 HG13 ILE A 7 -2.545 10.347 4.814 1.00 0.44 H new ATOM 0 HG21 ILE A 7 -1.898 7.318 2.674 1.00 35.10 H new ATOM 0 HG22 ILE A 7 -3.575 7.241 2.084 1.00 35.10 H new ATOM 0 HG23 ILE A 7 -2.522 8.590 1.598 1.00 35.10 H new ATOM 0 HD11 ILE A 7 -0.235 9.614 5.125 1.00 2.04 H new ATOM 0 HD12 ILE A 7 -1.369 8.352 5.665 1.00 2.04 H new ATOM 0 HD13 ILE A 7 -0.534 8.189 4.102 1.00 2.04 H new ATOM 123 N LYS A 8 -6.288 7.974 3.707 1.00 64.12 N ATOM 124 CA LYS A 8 -7.441 7.130 3.380 1.00 52.11 C ATOM 125 C LYS A 8 -8.453 7.913 2.547 1.00 3.05 C ATOM 126 O LYS A 8 -8.925 7.439 1.511 1.00 71.30 O ATOM 127 CB LYS A 8 -8.126 6.622 4.658 1.00 73.35 C ATOM 128 CG LYS A 8 -7.282 5.675 5.500 1.00 54.31 C ATOM 129 CD LYS A 8 -7.899 5.475 6.878 1.00 24.05 C ATOM 130 CE LYS A 8 -7.067 4.551 7.757 1.00 65.30 C ATOM 131 NZ LYS A 8 -7.336 3.113 7.487 1.00 25.33 N ATOM 0 H LYS A 8 -6.067 8.013 4.702 1.00 64.12 H new ATOM 0 HA LYS A 8 -7.078 6.277 2.807 1.00 52.11 H new ATOM 0 HB2 LYS A 8 -8.405 7.480 5.270 1.00 73.35 H new ATOM 0 HB3 LYS A 8 -9.050 6.114 4.381 1.00 73.35 H new ATOM 0 HG2 LYS A 8 -7.193 4.714 4.994 1.00 54.31 H new ATOM 0 HG3 LYS A 8 -6.273 6.075 5.604 1.00 54.31 H new ATOM 0 HD2 LYS A 8 -8.005 6.442 7.370 1.00 24.05 H new ATOM 0 HD3 LYS A 8 -8.902 5.062 6.768 1.00 24.05 H new ATOM 0 HE2 LYS A 8 -6.009 4.756 7.595 1.00 65.30 H new ATOM 0 HE3 LYS A 8 -7.276 4.766 8.805 1.00 65.30 H new ATOM 0 HZ1 LYS A 8 -6.733 2.526 8.098 1.00 25.33 H new ATOM 0 HZ2 LYS A 8 -8.336 2.904 7.683 1.00 25.33 H new ATOM 0 HZ3 LYS A 8 -7.127 2.902 6.490 1.00 25.33 H new ATOM 145 N GLU A 9 -8.759 9.128 3.000 1.00 24.41 N ATOM 146 CA GLU A 9 -9.718 9.991 2.323 1.00 71.23 C ATOM 147 C GLU A 9 -9.243 10.307 0.908 1.00 14.02 C ATOM 148 O GLU A 9 -10.023 10.260 -0.042 1.00 24.15 O ATOM 149 CB GLU A 9 -9.914 11.301 3.096 1.00 13.54 C ATOM 150 CG GLU A 9 -10.237 11.120 4.573 1.00 54.34 C ATOM 151 CD GLU A 9 -11.487 10.303 4.817 1.00 10.55 C ATOM 152 OE1 GLU A 9 -12.576 10.731 4.383 1.00 13.14 O ATOM 153 OE2 GLU A 9 -11.397 9.243 5.467 1.00 51.14 O ATOM 0 H GLU A 9 -8.351 9.537 3.841 1.00 24.41 H new ATOM 0 HA GLU A 9 -10.669 9.461 2.276 1.00 71.23 H new ATOM 0 HB2 GLU A 9 -9.008 11.900 3.006 1.00 13.54 H new ATOM 0 HB3 GLU A 9 -10.719 11.868 2.628 1.00 13.54 H new ATOM 0 HG2 GLU A 9 -9.393 10.636 5.066 1.00 54.34 H new ATOM 0 HG3 GLU A 9 -10.356 12.100 5.034 1.00 54.34 H new ATOM 160 N LEU A 10 -7.957 10.620 0.774 1.00 21.44 N ATOM 161 CA LEU A 10 -7.373 10.955 -0.522 1.00 41.33 C ATOM 162 C LEU A 10 -7.491 9.789 -1.497 1.00 1.12 C ATOM 163 O LEU A 10 -7.862 9.973 -2.656 1.00 31.21 O ATOM 164 CB LEU A 10 -5.903 11.344 -0.357 1.00 52.42 C ATOM 165 CG LEU A 10 -5.657 12.611 0.459 1.00 24.40 C ATOM 166 CD1 LEU A 10 -4.171 12.804 0.712 1.00 33.43 C ATOM 167 CD2 LEU A 10 -6.238 13.822 -0.253 1.00 33.12 C ATOM 0 H LEU A 10 -7.297 10.649 1.551 1.00 21.44 H new ATOM 0 HA LEU A 10 -7.926 11.801 -0.929 1.00 41.33 H new ATOM 0 HB2 LEU A 10 -5.375 10.517 0.117 1.00 52.42 H new ATOM 0 HB3 LEU A 10 -5.465 11.477 -1.346 1.00 52.42 H new ATOM 0 HG LEU A 10 -6.157 12.503 1.421 1.00 24.40 H new ATOM 0 HD11 LEU A 10 -4.016 13.712 1.295 1.00 33.43 H new ATOM 0 HD12 LEU A 10 -3.782 11.948 1.263 1.00 33.43 H new ATOM 0 HD13 LEU A 10 -3.648 12.891 -0.240 1.00 33.43 H new ATOM 0 HD21 LEU A 10 -6.054 14.717 0.342 1.00 33.12 H new ATOM 0 HD22 LEU A 10 -5.765 13.932 -1.229 1.00 33.12 H new ATOM 0 HD23 LEU A 10 -7.312 13.687 -0.383 1.00 33.12 H new ATOM 179 N ILE A 11 -7.193 8.590 -1.015 1.00 52.33 N ATOM 180 CA ILE A 11 -7.253 7.389 -1.845 1.00 20.34 C ATOM 181 C ILE A 11 -8.689 7.101 -2.281 1.00 33.44 C ATOM 182 O ILE A 11 -8.934 6.681 -3.412 1.00 22.42 O ATOM 183 CB ILE A 11 -6.682 6.166 -1.093 1.00 53.01 C ATOM 184 CG1 ILE A 11 -5.227 6.424 -0.698 1.00 4.14 C ATOM 185 CG2 ILE A 11 -6.780 4.912 -1.949 1.00 43.24 C ATOM 186 CD1 ILE A 11 -4.624 5.331 0.154 1.00 53.10 C ATOM 0 H ILE A 11 -6.906 8.420 -0.051 1.00 52.33 H new ATOM 0 HA ILE A 11 -6.644 7.571 -2.731 1.00 20.34 H new ATOM 0 HB ILE A 11 -7.272 6.011 -0.190 1.00 53.01 H new ATOM 0 HG12 ILE A 11 -4.629 6.538 -1.602 1.00 4.14 H new ATOM 0 HG13 ILE A 11 -5.169 7.368 -0.156 1.00 4.14 H new ATOM 0 HG21 ILE A 11 -6.372 4.064 -1.399 1.00 43.24 H new ATOM 0 HG22 ILE A 11 -7.825 4.718 -2.192 1.00 43.24 H new ATOM 0 HG23 ILE A 11 -6.213 5.054 -2.869 1.00 43.24 H new ATOM 0 HD11 ILE A 11 -3.591 5.585 0.394 1.00 53.10 H new ATOM 0 HD12 ILE A 11 -5.197 5.231 1.076 1.00 53.10 H new ATOM 0 HD13 ILE A 11 -4.648 4.388 -0.393 1.00 53.10 H new ATOM 198 N ASN A 12 -9.632 7.347 -1.381 1.00 74.13 N ATOM 199 CA ASN A 12 -11.050 7.131 -1.669 1.00 21.54 C ATOM 200 C ASN A 12 -11.590 8.196 -2.622 1.00 15.30 C ATOM 201 O ASN A 12 -12.651 8.027 -3.224 1.00 45.52 O ATOM 202 CB ASN A 12 -11.867 7.117 -0.374 1.00 23.42 C ATOM 203 CG ASN A 12 -11.579 5.896 0.481 1.00 4.14 C ATOM 204 OD1 ASN A 12 -11.261 4.825 -0.034 1.00 1.21 O ATOM 205 ND2 ASN A 12 -11.688 6.048 1.791 1.00 11.22 N ATOM 0 H ASN A 12 -9.443 7.697 -0.442 1.00 74.13 H new ATOM 0 HA ASN A 12 -11.146 6.160 -2.156 1.00 21.54 H new ATOM 0 HB2 ASN A 12 -11.649 8.018 0.199 1.00 23.42 H new ATOM 0 HB3 ASN A 12 -12.929 7.144 -0.618 1.00 23.42 H new ATOM 0 HD21 ASN A 12 -11.506 5.260 2.413 1.00 11.22 H new ATOM 0 HD22 ASN A 12 -11.954 6.953 2.179 1.00 11.22 H new ATOM 212 N GLN A 13 -10.862 9.297 -2.743 1.00 13.23 N ATOM 213 CA GLN A 13 -11.225 10.353 -3.682 1.00 40.14 C ATOM 214 C GLN A 13 -10.603 10.100 -5.051 1.00 41.14 C ATOM 215 O GLN A 13 -11.268 10.219 -6.079 1.00 22.24 O ATOM 216 CB GLN A 13 -10.780 11.717 -3.153 1.00 20.33 C ATOM 217 CG GLN A 13 -11.551 12.174 -1.925 1.00 51.04 C ATOM 218 CD GLN A 13 -11.015 13.464 -1.346 1.00 15.23 C ATOM 219 OE1 GLN A 13 -11.440 14.556 -1.722 1.00 2.51 O ATOM 220 NE2 GLN A 13 -10.077 13.345 -0.423 1.00 31.23 N ATOM 0 H GLN A 13 -10.017 9.484 -2.204 1.00 13.23 H new ATOM 0 HA GLN A 13 -12.310 10.350 -3.787 1.00 40.14 H new ATOM 0 HB2 GLN A 13 -9.718 11.675 -2.910 1.00 20.33 H new ATOM 0 HB3 GLN A 13 -10.897 12.459 -3.942 1.00 20.33 H new ATOM 0 HG2 GLN A 13 -12.600 12.307 -2.189 1.00 51.04 H new ATOM 0 HG3 GLN A 13 -11.510 11.394 -1.164 1.00 51.04 H new ATOM 0 HE21 GLN A 13 -9.754 12.420 -0.141 1.00 31.23 H new ATOM 0 HE22 GLN A 13 -9.676 14.178 0.007 1.00 31.23 H new ATOM 229 N GLY A 14 -9.329 9.740 -5.056 1.00 13.54 N ATOM 230 CA GLY A 14 -8.623 9.521 -6.300 1.00 23.54 C ATOM 231 C GLY A 14 -7.307 10.264 -6.333 1.00 11.52 C ATOM 232 O GLY A 14 -6.522 10.116 -7.270 1.00 63.53 O ATOM 0 H GLY A 14 -8.769 9.595 -4.216 1.00 13.54 H new ATOM 0 HA2 GLY A 14 -8.442 8.454 -6.433 1.00 23.54 H new ATOM 0 HA3 GLY A 14 -9.245 9.846 -7.134 1.00 23.54 H new ATOM 236 N ASP A 15 -7.065 11.062 -5.296 1.00 62.21 N ATOM 237 CA ASP A 15 -5.815 11.805 -5.158 1.00 40.01 C ATOM 238 C ASP A 15 -4.689 10.871 -4.734 1.00 15.33 C ATOM 239 O ASP A 15 -4.150 10.976 -3.630 1.00 41.13 O ATOM 240 CB ASP A 15 -5.971 12.941 -4.141 1.00 12.31 C ATOM 241 CG ASP A 15 -6.869 14.053 -4.641 1.00 53.31 C ATOM 242 OD1 ASP A 15 -8.091 13.827 -4.763 1.00 74.15 O ATOM 243 OD2 ASP A 15 -6.357 15.158 -4.919 1.00 33.10 O ATOM 0 H ASP A 15 -7.725 11.211 -4.533 1.00 62.21 H new ATOM 0 HA ASP A 15 -5.566 12.240 -6.126 1.00 40.01 H new ATOM 0 HB2 ASP A 15 -6.379 12.539 -3.213 1.00 12.31 H new ATOM 0 HB3 ASP A 15 -4.989 13.351 -3.906 1.00 12.31 H new ATOM 248 N ILE A 16 -4.355 9.951 -5.625 1.00 60.14 N ATOM 249 CA ILE A 16 -3.353 8.929 -5.365 1.00 20.01 C ATOM 250 C ILE A 16 -1.995 9.539 -5.043 1.00 32.13 C ATOM 251 O ILE A 16 -1.354 9.156 -4.067 1.00 60.25 O ATOM 252 CB ILE A 16 -3.212 7.979 -6.573 1.00 71.43 C ATOM 253 CG1 ILE A 16 -4.549 7.297 -6.874 1.00 14.53 C ATOM 254 CG2 ILE A 16 -2.131 6.942 -6.317 1.00 51.00 C ATOM 255 CD1 ILE A 16 -5.110 6.514 -5.704 1.00 62.55 C ATOM 0 H ILE A 16 -4.773 9.892 -6.553 1.00 60.14 H new ATOM 0 HA ILE A 16 -3.693 8.365 -4.497 1.00 20.01 H new ATOM 0 HB ILE A 16 -2.920 8.569 -7.442 1.00 71.43 H new ATOM 0 HG12 ILE A 16 -5.274 8.054 -7.174 1.00 14.53 H new ATOM 0 HG13 ILE A 16 -4.421 6.624 -7.722 1.00 14.53 H new ATOM 0 HG21 ILE A 16 -2.048 6.282 -7.181 1.00 51.00 H new ATOM 0 HG22 ILE A 16 -1.178 7.444 -6.150 1.00 51.00 H new ATOM 0 HG23 ILE A 16 -2.391 6.355 -5.436 1.00 51.00 H new ATOM 0 HD11 ILE A 16 -6.058 6.059 -5.992 1.00 62.55 H new ATOM 0 HD12 ILE A 16 -4.405 5.734 -5.417 1.00 62.55 H new ATOM 0 HD13 ILE A 16 -5.271 7.185 -4.861 1.00 62.55 H new ATOM 267 N GLU A 17 -1.565 10.501 -5.848 1.00 53.41 N ATOM 268 CA GLU A 17 -0.245 11.088 -5.675 1.00 74.23 C ATOM 269 C GLU A 17 -0.165 11.869 -4.373 1.00 50.41 C ATOM 270 O GLU A 17 0.878 11.891 -3.720 1.00 21.02 O ATOM 271 CB GLU A 17 0.108 11.992 -6.852 1.00 52.31 C ATOM 272 CG GLU A 17 0.294 11.241 -8.156 1.00 11.35 C ATOM 273 CD GLU A 17 0.689 12.157 -9.290 1.00 53.32 C ATOM 274 OE1 GLU A 17 1.865 12.571 -9.341 1.00 12.23 O ATOM 275 OE2 GLU A 17 -0.177 12.491 -10.125 1.00 53.14 O ATOM 0 H GLU A 17 -2.106 10.888 -6.621 1.00 53.41 H new ATOM 0 HA GLU A 17 0.478 10.273 -5.635 1.00 74.23 H new ATOM 0 HB2 GLU A 17 -0.680 12.735 -6.979 1.00 52.31 H new ATOM 0 HB3 GLU A 17 1.024 12.535 -6.621 1.00 52.31 H new ATOM 0 HG2 GLU A 17 1.059 10.475 -8.026 1.00 11.35 H new ATOM 0 HG3 GLU A 17 -0.632 10.726 -8.412 1.00 11.35 H new ATOM 282 N ASN A 18 -1.268 12.508 -3.999 1.00 0.42 N ATOM 283 CA ASN A 18 -1.331 13.234 -2.737 1.00 15.31 C ATOM 284 C ASN A 18 -1.213 12.258 -1.576 1.00 41.40 C ATOM 285 O ASN A 18 -0.544 12.534 -0.581 1.00 62.41 O ATOM 286 CB ASN A 18 -2.637 14.028 -2.605 1.00 0.24 C ATOM 287 CG ASN A 18 -2.785 15.135 -3.633 1.00 2.35 C ATOM 288 OD1 ASN A 18 -2.369 15.002 -4.786 1.00 42.51 O ATOM 289 ND2 ASN A 18 -3.367 16.247 -3.214 1.00 1.23 N ATOM 0 H ASN A 18 -2.126 12.538 -4.549 1.00 0.42 H new ATOM 0 HA ASN A 18 -0.501 13.941 -2.718 1.00 15.31 H new ATOM 0 HB2 ASN A 18 -3.479 13.343 -2.698 1.00 0.24 H new ATOM 0 HB3 ASN A 18 -2.688 14.462 -1.607 1.00 0.24 H new ATOM 0 HD21 ASN A 18 -3.485 17.033 -3.853 1.00 1.23 H new ATOM 0 HD22 ASN A 18 -3.698 16.318 -2.252 1.00 1.23 H new ATOM 296 N ALA A 19 -1.861 11.109 -1.724 1.00 3.54 N ATOM 297 CA ALA A 19 -1.800 10.062 -0.718 1.00 44.54 C ATOM 298 C ALA A 19 -0.387 9.503 -0.608 1.00 44.12 C ATOM 299 O ALA A 19 0.176 9.434 0.481 1.00 64.41 O ATOM 300 CB ALA A 19 -2.787 8.952 -1.052 1.00 24.21 C ATOM 0 H ALA A 19 -2.436 10.881 -2.535 1.00 3.54 H new ATOM 0 HA ALA A 19 -2.072 10.493 0.245 1.00 44.54 H new ATOM 0 HB1 ALA A 19 -2.731 8.174 -0.291 1.00 24.21 H new ATOM 0 HB2 ALA A 19 -3.797 9.360 -1.080 1.00 24.21 H new ATOM 0 HB3 ALA A 19 -2.540 8.526 -2.025 1.00 24.21 H new ATOM 306 N LEU A 20 0.184 9.131 -1.751 1.00 44.42 N ATOM 307 CA LEU A 20 1.514 8.518 -1.799 1.00 41.53 C ATOM 308 C LEU A 20 2.566 9.377 -1.102 1.00 4.33 C ATOM 309 O LEU A 20 3.340 8.876 -0.284 1.00 20.33 O ATOM 310 CB LEU A 20 1.932 8.268 -3.250 1.00 45.54 C ATOM 311 CG LEU A 20 1.084 7.245 -4.006 1.00 33.24 C ATOM 312 CD1 LEU A 20 1.524 7.159 -5.459 1.00 42.14 C ATOM 313 CD2 LEU A 20 1.176 5.881 -3.336 1.00 30.00 C ATOM 0 H LEU A 20 -0.256 9.244 -2.664 1.00 44.42 H new ATOM 0 HA LEU A 20 1.451 7.569 -1.267 1.00 41.53 H new ATOM 0 HB2 LEU A 20 1.897 9.215 -3.789 1.00 45.54 H new ATOM 0 HB3 LEU A 20 2.970 7.934 -3.260 1.00 45.54 H new ATOM 0 HG LEU A 20 0.044 7.571 -3.982 1.00 33.24 H new ATOM 0 HD11 LEU A 20 0.910 6.426 -5.982 1.00 42.14 H new ATOM 0 HD12 LEU A 20 1.408 8.134 -5.933 1.00 42.14 H new ATOM 0 HD13 LEU A 20 2.570 6.855 -5.505 1.00 42.14 H new ATOM 0 HD21 LEU A 20 0.567 5.164 -3.886 1.00 30.00 H new ATOM 0 HD22 LEU A 20 2.214 5.547 -3.331 1.00 30.00 H new ATOM 0 HD23 LEU A 20 0.813 5.954 -2.311 1.00 30.00 H new ATOM 325 N GLN A 21 2.584 10.670 -1.408 1.00 40.52 N ATOM 326 CA GLN A 21 3.581 11.563 -0.830 1.00 44.41 C ATOM 327 C GLN A 21 3.361 11.728 0.672 1.00 71.00 C ATOM 328 O GLN A 21 4.316 11.768 1.442 1.00 45.53 O ATOM 329 CB GLN A 21 3.583 12.920 -1.543 1.00 42.41 C ATOM 330 CG GLN A 21 2.255 13.656 -1.503 1.00 22.54 C ATOM 331 CD GLN A 21 2.233 14.851 -2.436 1.00 12.45 C ATOM 332 OE1 GLN A 21 2.581 15.966 -2.048 1.00 61.22 O ATOM 333 NE2 GLN A 21 1.831 14.622 -3.675 1.00 14.33 N ATOM 0 H GLN A 21 1.927 11.119 -2.046 1.00 40.52 H new ATOM 0 HA GLN A 21 4.562 11.111 -0.975 1.00 44.41 H new ATOM 0 HB2 GLN A 21 4.348 13.552 -1.091 1.00 42.41 H new ATOM 0 HB3 GLN A 21 3.869 12.769 -2.584 1.00 42.41 H new ATOM 0 HG2 GLN A 21 1.453 12.970 -1.776 1.00 22.54 H new ATOM 0 HG3 GLN A 21 2.057 13.989 -0.484 1.00 22.54 H new ATOM 0 HE21 GLN A 21 1.551 13.682 -3.955 1.00 14.33 H new ATOM 0 HE22 GLN A 21 1.801 15.385 -4.351 1.00 14.33 H new ATOM 342 N ALA A 22 2.104 11.788 1.094 1.00 55.34 N ATOM 343 CA ALA A 22 1.786 11.892 2.512 1.00 15.13 C ATOM 344 C ALA A 22 2.155 10.601 3.242 1.00 53.01 C ATOM 345 O ALA A 22 2.484 10.613 4.430 1.00 54.21 O ATOM 346 CB ALA A 22 0.310 12.210 2.700 1.00 12.21 C ATOM 0 H ALA A 22 1.292 11.767 0.477 1.00 55.34 H new ATOM 0 HA ALA A 22 2.373 12.705 2.940 1.00 15.13 H new ATOM 0 HB1 ALA A 22 0.087 12.285 3.764 1.00 12.21 H new ATOM 0 HB2 ALA A 22 0.077 13.157 2.213 1.00 12.21 H new ATOM 0 HB3 ALA A 22 -0.292 11.416 2.258 1.00 12.21 H new ATOM 352 N LEU A 23 2.109 9.494 2.516 1.00 74.21 N ATOM 353 CA LEU A 23 2.440 8.190 3.067 1.00 40.24 C ATOM 354 C LEU A 23 3.924 8.078 3.378 1.00 10.12 C ATOM 355 O LEU A 23 4.305 7.714 4.490 1.00 2.54 O ATOM 356 CB LEU A 23 2.019 7.096 2.090 1.00 73.11 C ATOM 357 CG LEU A 23 0.514 6.848 2.039 1.00 65.12 C ATOM 358 CD1 LEU A 23 0.119 6.144 0.752 1.00 5.32 C ATOM 359 CD2 LEU A 23 0.088 6.033 3.250 1.00 44.24 C ATOM 0 H LEU A 23 1.842 9.475 1.532 1.00 74.21 H new ATOM 0 HA LEU A 23 1.897 8.068 4.004 1.00 40.24 H new ATOM 0 HB2 LEU A 23 2.366 7.363 1.092 1.00 73.11 H new ATOM 0 HB3 LEU A 23 2.520 6.167 2.364 1.00 73.11 H new ATOM 0 HG LEU A 23 0.001 7.810 2.059 1.00 65.12 H new ATOM 0 HD11 LEU A 23 -0.959 5.980 0.743 1.00 5.32 H new ATOM 0 HD12 LEU A 23 0.399 6.762 -0.101 1.00 5.32 H new ATOM 0 HD13 LEU A 23 0.632 5.185 0.690 1.00 5.32 H new ATOM 0 HD21 LEU A 23 -0.987 5.858 3.211 1.00 44.24 H new ATOM 0 HD22 LEU A 23 0.612 5.077 3.248 1.00 44.24 H new ATOM 0 HD23 LEU A 23 0.333 6.579 4.161 1.00 44.24 H new ATOM 371 N GLU A 24 4.762 8.404 2.404 1.00 12.45 N ATOM 372 CA GLU A 24 6.204 8.334 2.594 1.00 70.01 C ATOM 373 C GLU A 24 6.662 9.354 3.635 1.00 62.34 C ATOM 374 O GLU A 24 7.635 9.125 4.351 1.00 1.51 O ATOM 375 CB GLU A 24 6.940 8.528 1.266 1.00 73.31 C ATOM 376 CG GLU A 24 6.562 9.799 0.531 1.00 21.20 C ATOM 377 CD GLU A 24 7.257 9.926 -0.805 1.00 43.42 C ATOM 378 OE1 GLU A 24 8.505 9.966 -0.834 1.00 33.11 O ATOM 379 OE2 GLU A 24 6.563 9.992 -1.838 1.00 31.30 O ATOM 0 H GLU A 24 4.470 8.718 1.478 1.00 12.45 H new ATOM 0 HA GLU A 24 6.451 7.340 2.967 1.00 70.01 H new ATOM 0 HB2 GLU A 24 8.013 8.536 1.455 1.00 73.31 H new ATOM 0 HB3 GLU A 24 6.736 7.673 0.621 1.00 73.31 H new ATOM 0 HG2 GLU A 24 5.483 9.819 0.378 1.00 21.20 H new ATOM 0 HG3 GLU A 24 6.812 10.661 1.150 1.00 21.20 H new ATOM 386 N GLU A 25 5.946 10.471 3.726 1.00 33.41 N ATOM 387 CA GLU A 25 6.198 11.456 4.773 1.00 64.20 C ATOM 388 C GLU A 25 5.914 10.848 6.145 1.00 14.12 C ATOM 389 O GLU A 25 6.675 11.039 7.096 1.00 30.42 O ATOM 390 CB GLU A 25 5.332 12.702 4.574 1.00 15.32 C ATOM 391 CG GLU A 25 5.729 13.546 3.374 1.00 75.44 C ATOM 392 CD GLU A 25 7.124 14.119 3.498 1.00 5.32 C ATOM 393 OE1 GLU A 25 7.335 14.995 4.364 1.00 62.33 O ATOM 394 OE2 GLU A 25 8.013 13.709 2.728 1.00 45.02 O ATOM 0 H GLU A 25 5.188 10.716 3.089 1.00 33.41 H new ATOM 0 HA GLU A 25 7.246 11.749 4.715 1.00 64.20 H new ATOM 0 HB2 GLU A 25 4.292 12.395 4.461 1.00 15.32 H new ATOM 0 HB3 GLU A 25 5.387 13.317 5.472 1.00 15.32 H new ATOM 0 HG2 GLU A 25 5.670 12.938 2.472 1.00 75.44 H new ATOM 0 HG3 GLU A 25 5.015 14.361 3.256 1.00 75.44 H new ATOM 401 N PHE A 26 4.818 10.098 6.231 1.00 25.12 N ATOM 402 CA PHE A 26 4.428 9.439 7.471 1.00 20.43 C ATOM 403 C PHE A 26 5.464 8.395 7.870 1.00 23.52 C ATOM 404 O PHE A 26 5.800 8.264 9.048 1.00 42.12 O ATOM 405 CB PHE A 26 3.049 8.790 7.312 1.00 24.42 C ATOM 406 CG PHE A 26 2.508 8.185 8.579 1.00 53.23 C ATOM 407 CD1 PHE A 26 1.815 8.964 9.492 1.00 0.42 C ATOM 408 CD2 PHE A 26 2.695 6.839 8.861 1.00 24.14 C ATOM 409 CE1 PHE A 26 1.316 8.414 10.658 1.00 52.12 C ATOM 410 CE2 PHE A 26 2.200 6.285 10.026 1.00 21.32 C ATOM 411 CZ PHE A 26 1.512 7.074 10.926 1.00 22.32 C ATOM 0 H PHE A 26 4.182 9.932 5.451 1.00 25.12 H new ATOM 0 HA PHE A 26 4.374 10.188 8.261 1.00 20.43 H new ATOM 0 HB2 PHE A 26 2.345 9.540 6.950 1.00 24.42 H new ATOM 0 HB3 PHE A 26 3.109 8.015 6.548 1.00 24.42 H new ATOM 0 HD1 PHE A 26 1.663 10.014 9.290 1.00 0.42 H new ATOM 0 HD2 PHE A 26 3.234 6.217 8.161 1.00 24.14 H new ATOM 0 HE1 PHE A 26 0.774 9.032 11.358 1.00 52.12 H new ATOM 0 HE2 PHE A 26 2.351 5.236 10.232 1.00 21.32 H new ATOM 0 HZ PHE A 26 1.128 6.643 11.839 1.00 22.32 H new ATOM 421 N LEU A 27 5.980 7.672 6.878 1.00 21.31 N ATOM 422 CA LEU A 27 7.008 6.658 7.108 1.00 24.24 C ATOM 423 C LEU A 27 8.243 7.271 7.759 1.00 21.02 C ATOM 424 O LEU A 27 8.969 6.608 8.501 1.00 22.14 O ATOM 425 CB LEU A 27 7.413 6.000 5.785 1.00 74.42 C ATOM 426 CG LEU A 27 6.287 5.302 5.024 1.00 4.54 C ATOM 427 CD1 LEU A 27 6.807 4.754 3.705 1.00 44.32 C ATOM 428 CD2 LEU A 27 5.685 4.184 5.863 1.00 53.40 C ATOM 0 H LEU A 27 5.701 7.770 5.902 1.00 21.31 H new ATOM 0 HA LEU A 27 6.589 5.907 7.778 1.00 24.24 H new ATOM 0 HB2 LEU A 27 7.846 6.763 5.138 1.00 74.42 H new ATOM 0 HB3 LEU A 27 8.197 5.271 5.988 1.00 74.42 H new ATOM 0 HG LEU A 27 5.505 6.032 4.816 1.00 4.54 H new ATOM 0 HD11 LEU A 27 5.996 4.259 3.172 1.00 44.32 H new ATOM 0 HD12 LEU A 27 7.194 5.573 3.098 1.00 44.32 H new ATOM 0 HD13 LEU A 27 7.605 4.037 3.898 1.00 44.32 H new ATOM 0 HD21 LEU A 27 4.885 3.699 5.303 1.00 53.40 H new ATOM 0 HD22 LEU A 27 6.457 3.452 6.101 1.00 53.40 H new ATOM 0 HD23 LEU A 27 5.282 4.599 6.787 1.00 53.40 H new ATOM 440 N GLN A 28 8.470 8.547 7.483 1.00 64.32 N ATOM 441 CA GLN A 28 9.647 9.237 7.980 1.00 11.22 C ATOM 442 C GLN A 28 9.473 9.661 9.436 1.00 10.31 C ATOM 443 O GLN A 28 10.458 9.890 10.137 1.00 21.21 O ATOM 444 CB GLN A 28 9.946 10.463 7.119 1.00 2.11 C ATOM 445 CG GLN A 28 10.264 10.139 5.669 1.00 4.43 C ATOM 446 CD GLN A 28 10.464 11.387 4.831 1.00 22.20 C ATOM 447 OE1 GLN A 28 10.911 12.419 5.334 1.00 1.14 O ATOM 448 NE2 GLN A 28 10.122 11.309 3.555 1.00 3.02 N ATOM 0 H GLN A 28 7.851 9.126 6.915 1.00 64.32 H new ATOM 0 HA GLN A 28 10.485 8.542 7.925 1.00 11.22 H new ATOM 0 HB2 GLN A 28 9.088 11.134 7.150 1.00 2.11 H new ATOM 0 HB3 GLN A 28 10.788 11.002 7.553 1.00 2.11 H new ATOM 0 HG2 GLN A 28 11.164 9.526 5.625 1.00 4.43 H new ATOM 0 HG3 GLN A 28 9.454 9.546 5.245 1.00 4.43 H new ATOM 0 HE21 GLN A 28 9.756 10.435 3.178 1.00 3.02 H new ATOM 0 HE22 GLN A 28 10.225 12.123 2.949 1.00 3.02 H new ATOM 457 N THR A 29 8.232 9.762 9.895 1.00 31.44 N ATOM 458 CA THR A 29 7.975 10.285 11.228 1.00 33.52 C ATOM 459 C THR A 29 7.446 9.216 12.191 1.00 3.33 C ATOM 460 O THR A 29 7.874 9.158 13.344 1.00 73.31 O ATOM 461 CB THR A 29 7.011 11.496 11.189 1.00 24.01 C ATOM 462 OG1 THR A 29 6.781 11.989 12.512 1.00 54.32 O ATOM 463 CG2 THR A 29 5.681 11.137 10.543 1.00 13.24 C ATOM 0 H THR A 29 7.399 9.493 9.372 1.00 31.44 H new ATOM 0 HA THR A 29 8.939 10.620 11.610 1.00 33.52 H new ATOM 0 HB THR A 29 7.485 12.270 10.585 1.00 24.01 H new ATOM 0 HG1 THR A 29 6.171 12.755 12.474 1.00 54.32 H new ATOM 0 HG21 THR A 29 5.032 12.013 10.535 1.00 13.24 H new ATOM 0 HG22 THR A 29 5.852 10.802 9.520 1.00 13.24 H new ATOM 0 HG23 THR A 29 5.204 10.338 11.111 1.00 13.24 H new ATOM 471 N GLU A 30 6.542 8.360 11.730 1.00 73.23 N ATOM 472 CA GLU A 30 5.906 7.399 12.624 1.00 4.42 C ATOM 473 C GLU A 30 6.080 5.969 12.122 1.00 74.54 C ATOM 474 O GLU A 30 5.282 5.480 11.323 1.00 22.15 O ATOM 475 CB GLU A 30 4.415 7.710 12.790 1.00 55.11 C ATOM 476 CG GLU A 30 4.121 9.127 13.264 1.00 62.14 C ATOM 477 CD GLU A 30 4.679 9.433 14.643 1.00 54.44 C ATOM 478 OE1 GLU A 30 5.180 8.510 15.321 1.00 10.12 O ATOM 479 OE2 GLU A 30 4.604 10.608 15.065 1.00 0.22 O ATOM 0 H GLU A 30 6.236 8.311 10.758 1.00 73.23 H new ATOM 0 HA GLU A 30 6.398 7.487 13.593 1.00 4.42 H new ATOM 0 HB2 GLU A 30 3.913 7.547 11.836 1.00 55.11 H new ATOM 0 HB3 GLU A 30 3.985 7.005 13.501 1.00 55.11 H new ATOM 0 HG2 GLU A 30 4.537 9.835 12.547 1.00 62.14 H new ATOM 0 HG3 GLU A 30 3.042 9.281 13.275 1.00 62.14 H new ATOM 486 N PRO A 31 7.141 5.286 12.579 1.00 44.44 N ATOM 487 CA PRO A 31 7.395 3.879 12.245 1.00 34.03 C ATOM 488 C PRO A 31 6.379 2.926 12.874 1.00 23.15 C ATOM 489 O PRO A 31 6.227 1.785 12.432 1.00 55.40 O ATOM 490 CB PRO A 31 8.788 3.618 12.826 1.00 64.13 C ATOM 491 CG PRO A 31 8.943 4.628 13.910 1.00 41.23 C ATOM 492 CD PRO A 31 8.202 5.846 13.436 1.00 52.24 C ATOM 0 HA PRO A 31 7.319 3.706 11.172 1.00 34.03 H new ATOM 0 HB2 PRO A 31 8.870 2.603 13.216 1.00 64.13 H new ATOM 0 HB3 PRO A 31 9.561 3.731 12.066 1.00 64.13 H new ATOM 0 HG2 PRO A 31 8.532 4.260 14.850 1.00 41.23 H new ATOM 0 HG3 PRO A 31 9.994 4.853 14.088 1.00 41.23 H new ATOM 0 HD2 PRO A 31 7.788 6.414 14.269 1.00 52.24 H new ATOM 0 HD3 PRO A 31 8.853 6.522 12.881 1.00 52.24 H new ATOM 500 N VAL A 32 5.680 3.409 13.893 1.00 74.04 N ATOM 501 CA VAL A 32 4.751 2.584 14.659 1.00 64.44 C ATOM 502 C VAL A 32 3.539 2.158 13.819 1.00 53.33 C ATOM 503 O VAL A 32 2.980 1.081 14.023 1.00 62.05 O ATOM 504 CB VAL A 32 4.278 3.325 15.933 1.00 3.10 C ATOM 505 CG1 VAL A 32 3.540 4.612 15.585 1.00 24.52 C ATOM 506 CG2 VAL A 32 3.407 2.421 16.796 1.00 35.35 C ATOM 0 H VAL A 32 5.739 4.376 14.211 1.00 74.04 H new ATOM 0 HA VAL A 32 5.290 1.683 14.952 1.00 64.44 H new ATOM 0 HB VAL A 32 5.165 3.594 16.506 1.00 3.10 H new ATOM 0 HG11 VAL A 32 3.221 5.108 16.502 1.00 24.52 H new ATOM 0 HG12 VAL A 32 4.204 5.272 15.027 1.00 24.52 H new ATOM 0 HG13 VAL A 32 2.666 4.377 14.977 1.00 24.52 H new ATOM 0 HG21 VAL A 32 3.087 2.965 17.685 1.00 35.35 H new ATOM 0 HG22 VAL A 32 2.531 2.109 16.227 1.00 35.35 H new ATOM 0 HG23 VAL A 32 3.978 1.542 17.094 1.00 35.35 H new ATOM 516 N GLY A 33 3.152 2.990 12.860 1.00 12.10 N ATOM 517 CA GLY A 33 1.979 2.697 12.061 1.00 45.40 C ATOM 518 C GLY A 33 2.301 2.557 10.589 1.00 50.44 C ATOM 519 O GLY A 33 1.483 2.896 9.733 1.00 65.53 O ATOM 0 H GLY A 33 3.628 3.860 12.622 1.00 12.10 H new ATOM 0 HA2 GLY A 33 1.521 1.775 12.419 1.00 45.40 H new ATOM 0 HA3 GLY A 33 1.244 3.491 12.195 1.00 45.40 H new ATOM 523 N LYS A 34 3.489 2.045 10.287 1.00 31.31 N ATOM 524 CA LYS A 34 3.921 1.911 8.903 1.00 73.21 C ATOM 525 C LYS A 34 3.160 0.802 8.184 1.00 3.33 C ATOM 526 O LYS A 34 3.069 0.811 6.963 1.00 60.43 O ATOM 527 CB LYS A 34 5.430 1.658 8.808 1.00 41.21 C ATOM 528 CG LYS A 34 6.280 2.847 9.224 1.00 53.03 C ATOM 529 CD LYS A 34 7.741 2.665 8.835 1.00 3.21 C ATOM 530 CE LYS A 34 8.356 1.432 9.483 1.00 35.32 C ATOM 531 NZ LYS A 34 9.793 1.284 9.135 1.00 34.02 N ATOM 0 H LYS A 34 4.165 1.718 10.977 1.00 31.31 H new ATOM 0 HA LYS A 34 3.698 2.857 8.410 1.00 73.21 H new ATOM 0 HB2 LYS A 34 5.686 0.804 9.435 1.00 41.21 H new ATOM 0 HB3 LYS A 34 5.679 1.387 7.782 1.00 41.21 H new ATOM 0 HG2 LYS A 34 5.890 3.752 8.758 1.00 53.03 H new ATOM 0 HG3 LYS A 34 6.206 2.986 10.303 1.00 53.03 H new ATOM 0 HD2 LYS A 34 7.820 2.582 7.751 1.00 3.21 H new ATOM 0 HD3 LYS A 34 8.307 3.549 9.129 1.00 3.21 H new ATOM 0 HE2 LYS A 34 8.249 1.499 10.566 1.00 35.32 H new ATOM 0 HE3 LYS A 34 7.811 0.544 9.163 1.00 35.32 H new ATOM 0 HZ1 LYS A 34 10.176 0.433 9.595 1.00 34.02 H new ATOM 0 HZ2 LYS A 34 9.893 1.195 8.104 1.00 34.02 H new ATOM 0 HZ3 LYS A 34 10.317 2.120 9.462 1.00 34.02 H new ATOM 545 N ASP A 35 2.603 -0.142 8.935 1.00 60.11 N ATOM 546 CA ASP A 35 1.860 -1.244 8.326 1.00 31.13 C ATOM 547 C ASP A 35 0.573 -0.723 7.695 1.00 35.25 C ATOM 548 O ASP A 35 0.152 -1.191 6.637 1.00 3.54 O ATOM 549 CB ASP A 35 1.554 -2.345 9.349 1.00 54.10 C ATOM 550 CG ASP A 35 0.560 -1.924 10.415 1.00 32.40 C ATOM 551 OD1 ASP A 35 0.825 -0.927 11.120 1.00 4.45 O ATOM 552 OD2 ASP A 35 -0.486 -2.593 10.556 1.00 73.35 O ATOM 0 H ASP A 35 2.649 -0.169 9.954 1.00 60.11 H new ATOM 0 HA ASP A 35 2.483 -1.683 7.547 1.00 31.13 H new ATOM 0 HB2 ASP A 35 1.164 -3.218 8.825 1.00 54.10 H new ATOM 0 HB3 ASP A 35 2.483 -2.650 9.831 1.00 54.10 H new ATOM 557 N GLU A 36 -0.030 0.265 8.344 1.00 15.01 N ATOM 558 CA GLU A 36 -1.195 0.943 7.795 1.00 3.44 C ATOM 559 C GLU A 36 -0.780 1.772 6.585 1.00 3.20 C ATOM 560 O GLU A 36 -1.436 1.755 5.542 1.00 70.43 O ATOM 561 CB GLU A 36 -1.829 1.846 8.860 1.00 4.12 C ATOM 562 CG GLU A 36 -2.999 2.677 8.349 1.00 4.14 C ATOM 563 CD GLU A 36 -4.258 1.866 8.134 1.00 31.31 C ATOM 564 OE1 GLU A 36 -4.313 1.069 7.177 1.00 34.31 O ATOM 565 OE2 GLU A 36 -5.211 2.032 8.923 1.00 45.41 O ATOM 0 H GLU A 36 0.270 0.615 9.254 1.00 15.01 H new ATOM 0 HA GLU A 36 -1.930 0.200 7.485 1.00 3.44 H new ATOM 0 HB2 GLU A 36 -2.171 1.227 9.690 1.00 4.12 H new ATOM 0 HB3 GLU A 36 -1.066 2.516 9.255 1.00 4.12 H new ATOM 0 HG2 GLU A 36 -3.207 3.476 9.061 1.00 4.14 H new ATOM 0 HG3 GLU A 36 -2.716 3.152 7.410 1.00 4.14 H new ATOM 572 N ALA A 37 0.336 2.480 6.733 1.00 52.44 N ATOM 573 CA ALA A 37 0.850 3.344 5.682 1.00 24.32 C ATOM 574 C ALA A 37 1.184 2.547 4.424 1.00 60.44 C ATOM 575 O ALA A 37 0.707 2.871 3.340 1.00 35.35 O ATOM 576 CB ALA A 37 2.071 4.106 6.177 1.00 62.23 C ATOM 0 H ALA A 37 0.904 2.470 7.580 1.00 52.44 H new ATOM 0 HA ALA A 37 0.072 4.061 5.421 1.00 24.32 H new ATOM 0 HB1 ALA A 37 2.446 4.749 5.381 1.00 62.23 H new ATOM 0 HB2 ALA A 37 1.795 4.716 7.037 1.00 62.23 H new ATOM 0 HB3 ALA A 37 2.848 3.399 6.468 1.00 62.23 H new ATOM 582 N TYR A 38 1.983 1.494 4.575 1.00 73.34 N ATOM 583 CA TYR A 38 2.376 0.662 3.438 1.00 50.15 C ATOM 584 C TYR A 38 1.159 0.039 2.760 1.00 44.22 C ATOM 585 O TYR A 38 1.129 -0.104 1.534 1.00 61.03 O ATOM 586 CB TYR A 38 3.350 -0.433 3.869 1.00 34.01 C ATOM 587 CG TYR A 38 4.776 0.048 4.021 1.00 61.55 C ATOM 588 CD1 TYR A 38 5.492 0.507 2.922 1.00 61.11 C ATOM 589 CD2 TYR A 38 5.408 0.039 5.256 1.00 42.15 C ATOM 590 CE1 TYR A 38 6.796 0.940 3.049 1.00 11.44 C ATOM 591 CE2 TYR A 38 6.713 0.468 5.391 1.00 11.15 C ATOM 592 CZ TYR A 38 7.401 0.919 4.286 1.00 25.24 C ATOM 593 OH TYR A 38 8.703 1.340 4.419 1.00 74.23 O ATOM 0 H TYR A 38 2.371 1.196 5.470 1.00 73.34 H new ATOM 0 HA TYR A 38 2.876 1.311 2.720 1.00 50.15 H new ATOM 0 HB2 TYR A 38 3.014 -0.853 4.817 1.00 34.01 H new ATOM 0 HB3 TYR A 38 3.324 -1.239 3.136 1.00 34.01 H new ATOM 0 HD1 TYR A 38 5.019 0.525 1.951 1.00 61.11 H new ATOM 0 HD2 TYR A 38 4.870 -0.309 6.126 1.00 42.15 H new ATOM 0 HE1 TYR A 38 7.338 1.293 2.184 1.00 11.44 H new ATOM 0 HE2 TYR A 38 7.193 0.450 6.359 1.00 11.15 H new ATOM 0 HH TYR A 38 8.978 1.262 5.356 1.00 74.23 H new ATOM 603 N TYR A 39 0.157 -0.325 3.558 1.00 63.23 N ATOM 604 CA TYR A 39 -1.097 -0.837 3.019 1.00 14.00 C ATOM 605 C TYR A 39 -1.762 0.223 2.145 1.00 11.44 C ATOM 606 O TYR A 39 -2.196 -0.062 1.027 1.00 35.42 O ATOM 607 CB TYR A 39 -2.047 -1.258 4.150 1.00 33.24 C ATOM 608 CG TYR A 39 -3.418 -1.674 3.661 1.00 70.34 C ATOM 609 CD1 TYR A 39 -3.639 -2.944 3.150 1.00 74.25 C ATOM 610 CD2 TYR A 39 -4.488 -0.790 3.706 1.00 61.25 C ATOM 611 CE1 TYR A 39 -4.887 -3.324 2.697 1.00 5.40 C ATOM 612 CE2 TYR A 39 -5.739 -1.161 3.257 1.00 33.33 C ATOM 613 CZ TYR A 39 -5.934 -2.428 2.752 1.00 73.50 C ATOM 614 OH TYR A 39 -7.179 -2.801 2.300 1.00 13.12 O ATOM 0 H TYR A 39 0.191 -0.274 4.576 1.00 63.23 H new ATOM 0 HA TYR A 39 -0.876 -1.715 2.412 1.00 14.00 H new ATOM 0 HB2 TYR A 39 -1.600 -2.085 4.701 1.00 33.24 H new ATOM 0 HB3 TYR A 39 -2.155 -0.430 4.851 1.00 33.24 H new ATOM 0 HD1 TYR A 39 -2.821 -3.648 3.106 1.00 74.25 H new ATOM 0 HD2 TYR A 39 -4.339 0.205 4.099 1.00 61.25 H new ATOM 0 HE1 TYR A 39 -5.042 -4.317 2.302 1.00 5.40 H new ATOM 0 HE2 TYR A 39 -6.561 -0.462 3.301 1.00 33.33 H new ATOM 0 HH TYR A 39 -7.804 -2.054 2.410 1.00 13.12 H new ATOM 624 N LEU A 40 -1.825 1.446 2.661 1.00 55.41 N ATOM 625 CA LEU A 40 -2.405 2.564 1.929 1.00 50.32 C ATOM 626 C LEU A 40 -1.608 2.852 0.659 1.00 51.34 C ATOM 627 O LEU A 40 -2.185 3.157 -0.386 1.00 21.21 O ATOM 628 CB LEU A 40 -2.452 3.812 2.815 1.00 21.05 C ATOM 629 CG LEU A 40 -3.390 3.727 4.024 1.00 24.05 C ATOM 630 CD1 LEU A 40 -3.241 4.956 4.912 1.00 22.53 C ATOM 631 CD2 LEU A 40 -4.833 3.573 3.567 1.00 64.23 C ATOM 0 H LEU A 40 -1.479 1.688 3.589 1.00 55.41 H new ATOM 0 HA LEU A 40 -3.422 2.294 1.644 1.00 50.32 H new ATOM 0 HB2 LEU A 40 -1.444 4.020 3.173 1.00 21.05 H new ATOM 0 HB3 LEU A 40 -2.754 4.661 2.202 1.00 21.05 H new ATOM 0 HG LEU A 40 -3.115 2.849 4.608 1.00 24.05 H new ATOM 0 HD11 LEU A 40 -3.916 4.874 5.764 1.00 22.53 H new ATOM 0 HD12 LEU A 40 -2.213 5.024 5.269 1.00 22.53 H new ATOM 0 HD13 LEU A 40 -3.486 5.850 4.339 1.00 22.53 H new ATOM 0 HD21 LEU A 40 -5.486 3.514 4.438 1.00 64.23 H new ATOM 0 HD22 LEU A 40 -5.116 4.432 2.959 1.00 64.23 H new ATOM 0 HD23 LEU A 40 -4.932 2.662 2.977 1.00 64.23 H new ATOM 643 N MET A 41 -0.285 2.744 0.750 1.00 44.54 N ATOM 644 CA MET A 41 0.587 2.954 -0.405 1.00 65.45 C ATOM 645 C MET A 41 0.248 1.956 -1.501 1.00 15.14 C ATOM 646 O MET A 41 -0.025 2.337 -2.641 1.00 4.32 O ATOM 647 CB MET A 41 2.065 2.819 -0.008 1.00 62.13 C ATOM 648 CG MET A 41 2.474 3.766 1.108 1.00 61.40 C ATOM 649 SD MET A 41 4.209 3.635 1.577 1.00 45.10 S ATOM 650 CE MET A 41 4.991 4.609 0.292 1.00 11.04 C ATOM 0 H MET A 41 0.208 2.512 1.612 1.00 44.54 H new ATOM 0 HA MET A 41 0.424 3.965 -0.778 1.00 65.45 H new ATOM 0 HB2 MET A 41 2.258 1.793 0.306 1.00 62.13 H new ATOM 0 HB3 MET A 41 2.688 3.007 -0.882 1.00 62.13 H new ATOM 0 HG2 MET A 41 2.268 4.790 0.796 1.00 61.40 H new ATOM 0 HG3 MET A 41 1.855 3.569 1.983 1.00 61.40 H new ATOM 0 HE1 MET A 41 6.070 4.620 0.449 1.00 11.04 H new ATOM 0 HE2 MET A 41 4.771 4.171 -0.681 1.00 11.04 H new ATOM 0 HE3 MET A 41 4.609 5.629 0.325 1.00 11.04 H new ATOM 660 N GLY A 42 0.233 0.678 -1.142 1.00 12.03 N ATOM 661 CA GLY A 42 -0.113 -0.358 -2.095 1.00 41.14 C ATOM 662 C GLY A 42 -1.522 -0.196 -2.628 1.00 13.32 C ATOM 663 O GLY A 42 -1.788 -0.477 -3.795 1.00 62.02 O ATOM 0 H GLY A 42 0.455 0.341 -0.205 1.00 12.03 H new ATOM 0 HA2 GLY A 42 0.593 -0.336 -2.925 1.00 41.14 H new ATOM 0 HA3 GLY A 42 -0.016 -1.334 -1.620 1.00 41.14 H new ATOM 667 N ASN A 43 -2.424 0.254 -1.764 1.00 23.30 N ATOM 668 CA ASN A 43 -3.811 0.499 -2.145 1.00 75.44 C ATOM 669 C ASN A 43 -3.886 1.581 -3.223 1.00 13.24 C ATOM 670 O ASN A 43 -4.605 1.447 -4.213 1.00 43.54 O ATOM 671 CB ASN A 43 -4.622 0.911 -0.911 1.00 23.11 C ATOM 672 CG ASN A 43 -6.103 1.072 -1.193 1.00 63.22 C ATOM 673 OD1 ASN A 43 -6.649 0.439 -2.091 1.00 71.24 O ATOM 674 ND2 ASN A 43 -6.764 1.911 -0.414 1.00 12.34 N ATOM 0 H ASN A 43 -2.218 0.458 -0.786 1.00 23.30 H new ATOM 0 HA ASN A 43 -4.234 -0.418 -2.555 1.00 75.44 H new ATOM 0 HB2 ASN A 43 -4.487 0.163 -0.130 1.00 23.11 H new ATOM 0 HB3 ASN A 43 -4.229 1.851 -0.524 1.00 23.11 H new ATOM 0 HD21 ASN A 43 -7.765 2.051 -0.549 1.00 12.34 H new ATOM 0 HD22 ASN A 43 -6.273 2.418 0.322 1.00 12.34 H new ATOM 681 N ALA A 44 -3.117 2.644 -3.039 1.00 40.41 N ATOM 682 CA ALA A 44 -3.064 3.719 -4.016 1.00 61.22 C ATOM 683 C ALA A 44 -2.447 3.225 -5.323 1.00 10.35 C ATOM 684 O ALA A 44 -2.918 3.557 -6.414 1.00 0.52 O ATOM 685 CB ALA A 44 -2.280 4.896 -3.461 1.00 55.24 C ATOM 0 H ALA A 44 -2.522 2.784 -2.223 1.00 40.41 H new ATOM 0 HA ALA A 44 -4.081 4.051 -4.225 1.00 61.22 H new ATOM 0 HB1 ALA A 44 -2.248 5.694 -4.203 1.00 55.24 H new ATOM 0 HB2 ALA A 44 -2.764 5.261 -2.556 1.00 55.24 H new ATOM 0 HB3 ALA A 44 -1.264 4.578 -3.226 1.00 55.24 H new ATOM 691 N TYR A 45 -1.401 2.414 -5.204 1.00 74.33 N ATOM 692 CA TYR A 45 -0.729 1.860 -6.374 1.00 33.33 C ATOM 693 C TYR A 45 -1.638 0.921 -7.166 1.00 40.21 C ATOM 694 O TYR A 45 -1.624 0.944 -8.398 1.00 11.34 O ATOM 695 CB TYR A 45 0.554 1.126 -5.980 1.00 63.10 C ATOM 696 CG TYR A 45 1.682 2.043 -5.559 1.00 0.22 C ATOM 697 CD1 TYR A 45 2.098 3.089 -6.375 1.00 70.12 C ATOM 698 CD2 TYR A 45 2.337 1.861 -4.348 1.00 53.53 C ATOM 699 CE1 TYR A 45 3.131 3.925 -5.995 1.00 13.12 C ATOM 700 CE2 TYR A 45 3.370 2.694 -3.960 1.00 64.53 C ATOM 701 CZ TYR A 45 3.763 3.725 -4.786 1.00 73.21 C ATOM 702 OH TYR A 45 4.796 4.551 -4.402 1.00 21.12 O ATOM 0 H TYR A 45 -1.001 2.126 -4.311 1.00 74.33 H new ATOM 0 HA TYR A 45 -0.473 2.704 -7.014 1.00 33.33 H new ATOM 0 HB2 TYR A 45 0.332 0.441 -5.162 1.00 63.10 H new ATOM 0 HB3 TYR A 45 0.887 0.520 -6.822 1.00 63.10 H new ATOM 0 HD1 TYR A 45 1.605 3.251 -7.322 1.00 70.12 H new ATOM 0 HD2 TYR A 45 2.034 1.054 -3.697 1.00 53.53 H new ATOM 0 HE1 TYR A 45 3.442 4.732 -6.642 1.00 13.12 H new ATOM 0 HE2 TYR A 45 3.867 2.538 -3.014 1.00 64.53 H new ATOM 0 HH TYR A 45 5.129 4.272 -3.523 1.00 21.12 H new ATOM 712 N ARG A 46 -2.433 0.101 -6.477 1.00 0.42 N ATOM 713 CA ARG A 46 -3.324 -0.832 -7.169 1.00 44.33 C ATOM 714 C ARG A 46 -4.429 -0.073 -7.904 1.00 34.34 C ATOM 715 O ARG A 46 -4.942 -0.542 -8.920 1.00 71.31 O ATOM 716 CB ARG A 46 -3.936 -1.868 -6.214 1.00 11.23 C ATOM 717 CG ARG A 46 -4.967 -1.305 -5.252 1.00 22.42 C ATOM 718 CD ARG A 46 -5.729 -2.411 -4.540 1.00 2.34 C ATOM 719 NE ARG A 46 -6.656 -1.880 -3.541 1.00 24.30 N ATOM 720 CZ ARG A 46 -7.916 -2.288 -3.389 1.00 53.43 C ATOM 721 NH1 ARG A 46 -8.453 -3.156 -4.237 1.00 40.24 N ATOM 722 NH2 ARG A 46 -8.654 -1.800 -2.401 1.00 14.24 N ATOM 0 H ARG A 46 -2.479 0.063 -5.459 1.00 0.42 H new ATOM 0 HA ARG A 46 -2.718 -1.375 -7.894 1.00 44.33 H new ATOM 0 HB2 ARG A 46 -4.401 -2.657 -6.804 1.00 11.23 H new ATOM 0 HB3 ARG A 46 -3.135 -2.331 -5.638 1.00 11.23 H new ATOM 0 HG2 ARG A 46 -4.472 -0.672 -4.516 1.00 22.42 H new ATOM 0 HG3 ARG A 46 -5.667 -0.672 -5.797 1.00 22.42 H new ATOM 0 HD2 ARG A 46 -6.282 -3.000 -5.272 1.00 2.34 H new ATOM 0 HD3 ARG A 46 -5.022 -3.086 -4.057 1.00 2.34 H new ATOM 0 HE ARG A 46 -6.315 -1.148 -2.918 1.00 24.30 H new ATOM 0 HH11 ARG A 46 -7.901 -3.518 -5.014 1.00 40.24 H new ATOM 0 HH12 ARG A 46 -9.418 -3.461 -4.111 1.00 40.24 H new ATOM 0 HH21 ARG A 46 -8.257 -1.114 -1.759 1.00 14.24 H new ATOM 0 HH22 ARG A 46 -9.618 -2.111 -2.283 1.00 14.24 H new ATOM 736 N LYS A 47 -4.788 1.100 -7.386 1.00 72.32 N ATOM 737 CA LYS A 47 -5.754 1.962 -8.058 1.00 75.22 C ATOM 738 C LYS A 47 -5.170 2.510 -9.354 1.00 61.31 C ATOM 739 O LYS A 47 -5.883 2.676 -10.343 1.00 53.13 O ATOM 740 CB LYS A 47 -6.189 3.113 -7.147 1.00 15.43 C ATOM 741 CG LYS A 47 -7.073 2.677 -5.989 1.00 53.42 C ATOM 742 CD LYS A 47 -7.565 3.869 -5.181 1.00 41.51 C ATOM 743 CE LYS A 47 -8.413 4.813 -6.022 1.00 24.12 C ATOM 744 NZ LYS A 47 -9.660 4.169 -6.515 1.00 74.24 N ATOM 0 H LYS A 47 -4.426 1.472 -6.508 1.00 72.32 H new ATOM 0 HA LYS A 47 -6.632 1.361 -8.295 1.00 75.22 H new ATOM 0 HB2 LYS A 47 -5.301 3.605 -6.749 1.00 15.43 H new ATOM 0 HB3 LYS A 47 -6.724 3.853 -7.742 1.00 15.43 H new ATOM 0 HG2 LYS A 47 -7.927 2.119 -6.372 1.00 53.42 H new ATOM 0 HG3 LYS A 47 -6.516 2.001 -5.340 1.00 53.42 H new ATOM 0 HD2 LYS A 47 -8.149 3.516 -4.331 1.00 41.51 H new ATOM 0 HD3 LYS A 47 -6.710 4.411 -4.777 1.00 41.51 H new ATOM 0 HE2 LYS A 47 -8.671 5.691 -5.429 1.00 24.12 H new ATOM 0 HE3 LYS A 47 -7.828 5.163 -6.872 1.00 24.12 H new ATOM 0 HZ1 LYS A 47 -10.266 4.885 -6.965 1.00 74.24 H new ATOM 0 HZ2 LYS A 47 -9.420 3.433 -7.209 1.00 74.24 H new ATOM 0 HZ3 LYS A 47 -10.168 3.739 -5.716 1.00 74.24 H new ATOM 758 N LEU A 48 -3.872 2.787 -9.346 1.00 4.03 N ATOM 759 CA LEU A 48 -3.181 3.233 -10.551 1.00 2.31 C ATOM 760 C LEU A 48 -3.033 2.081 -11.537 1.00 23.30 C ATOM 761 O LEU A 48 -3.015 2.284 -12.749 1.00 14.25 O ATOM 762 CB LEU A 48 -1.796 3.793 -10.216 1.00 51.44 C ATOM 763 CG LEU A 48 -1.786 5.074 -9.385 1.00 3.04 C ATOM 764 CD1 LEU A 48 -0.354 5.490 -9.080 1.00 0.31 C ATOM 765 CD2 LEU A 48 -2.529 6.187 -10.113 1.00 1.11 C ATOM 0 H LEU A 48 -3.277 2.711 -8.521 1.00 4.03 H new ATOM 0 HA LEU A 48 -3.781 4.023 -11.002 1.00 2.31 H new ATOM 0 HB2 LEU A 48 -1.235 3.028 -9.679 1.00 51.44 H new ATOM 0 HB3 LEU A 48 -1.265 3.982 -11.149 1.00 51.44 H new ATOM 0 HG LEU A 48 -2.299 4.885 -8.442 1.00 3.04 H new ATOM 0 HD11 LEU A 48 -0.359 6.405 -8.487 1.00 0.31 H new ATOM 0 HD12 LEU A 48 0.144 4.698 -8.521 1.00 0.31 H new ATOM 0 HD13 LEU A 48 0.180 5.666 -10.014 1.00 0.31 H new ATOM 0 HD21 LEU A 48 -2.512 7.093 -9.507 1.00 1.11 H new ATOM 0 HD22 LEU A 48 -2.045 6.382 -11.070 1.00 1.11 H new ATOM 0 HD23 LEU A 48 -3.562 5.884 -10.284 1.00 1.11 H new ATOM 777 N GLY A 49 -2.924 0.874 -11.005 1.00 64.22 N ATOM 778 CA GLY A 49 -2.745 -0.293 -11.841 1.00 30.22 C ATOM 779 C GLY A 49 -1.326 -0.813 -11.783 1.00 42.55 C ATOM 780 O GLY A 49 -0.966 -1.751 -12.493 1.00 13.25 O ATOM 0 H GLY A 49 -2.957 0.681 -10.004 1.00 64.22 H new ATOM 0 HA2 GLY A 49 -3.433 -1.077 -11.523 1.00 30.22 H new ATOM 0 HA3 GLY A 49 -2.999 -0.044 -12.871 1.00 30.22 H new ATOM 784 N ASP A 50 -0.514 -0.201 -10.934 1.00 64.13 N ATOM 785 CA ASP A 50 0.858 -0.636 -10.767 1.00 11.25 C ATOM 786 C ASP A 50 0.920 -1.707 -9.694 1.00 52.22 C ATOM 787 O ASP A 50 0.873 -1.416 -8.496 1.00 13.32 O ATOM 788 CB ASP A 50 1.775 0.527 -10.398 1.00 63.33 C ATOM 789 CG ASP A 50 3.237 0.139 -10.483 1.00 23.34 C ATOM 790 OD1 ASP A 50 3.681 -0.713 -9.689 1.00 24.10 O ATOM 791 OD2 ASP A 50 3.945 0.675 -11.362 1.00 13.52 O ATOM 0 H ASP A 50 -0.783 0.594 -10.354 1.00 64.13 H new ATOM 0 HA ASP A 50 1.206 -1.042 -11.717 1.00 11.25 H new ATOM 0 HB2 ASP A 50 1.583 1.367 -11.065 1.00 63.33 H new ATOM 0 HB3 ASP A 50 1.546 0.864 -9.387 1.00 63.33 H new ATOM 796 N TRP A 51 1.006 -2.947 -10.130 1.00 1.22 N ATOM 797 CA TRP A 51 0.929 -4.076 -9.225 1.00 62.03 C ATOM 798 C TRP A 51 2.255 -4.320 -8.512 1.00 4.21 C ATOM 799 O TRP A 51 2.273 -4.833 -7.397 1.00 34.25 O ATOM 800 CB TRP A 51 0.497 -5.326 -9.988 1.00 73.31 C ATOM 801 CG TRP A 51 -0.799 -5.149 -10.723 1.00 31.02 C ATOM 802 CD1 TRP A 51 -0.973 -5.090 -12.075 1.00 24.30 C ATOM 803 CD2 TRP A 51 -2.102 -4.999 -10.145 1.00 15.44 C ATOM 804 NE1 TRP A 51 -2.303 -4.912 -12.373 1.00 32.42 N ATOM 805 CE2 TRP A 51 -3.016 -4.856 -11.204 1.00 11.01 C ATOM 806 CE3 TRP A 51 -2.582 -4.974 -8.835 1.00 44.04 C ATOM 807 CZ2 TRP A 51 -4.383 -4.687 -10.988 1.00 2.44 C ATOM 808 CZ3 TRP A 51 -3.933 -4.812 -8.621 1.00 13.22 C ATOM 809 CH2 TRP A 51 -4.823 -4.670 -9.692 1.00 1.23 C ATOM 0 H TRP A 51 1.130 -3.199 -11.110 1.00 1.22 H new ATOM 0 HA TRP A 51 0.186 -3.844 -8.462 1.00 62.03 H new ATOM 0 HB2 TRP A 51 1.277 -5.598 -10.699 1.00 73.31 H new ATOM 0 HB3 TRP A 51 0.400 -6.156 -9.288 1.00 73.31 H new ATOM 0 HD1 TRP A 51 -0.181 -5.171 -12.805 1.00 24.30 H new ATOM 0 HE1 TRP A 51 -2.695 -4.834 -13.311 1.00 32.42 H new ATOM 0 HE3 TRP A 51 -1.904 -5.080 -8.001 1.00 44.04 H new ATOM 0 HZ2 TRP A 51 -5.070 -4.574 -11.814 1.00 2.44 H new ATOM 0 HZ3 TRP A 51 -4.312 -4.794 -7.610 1.00 13.22 H new ATOM 0 HH2 TRP A 51 -5.877 -4.545 -9.492 1.00 1.23 H new ATOM 820 N GLN A 52 3.362 -3.936 -9.138 1.00 73.53 N ATOM 821 CA GLN A 52 4.677 -4.199 -8.559 1.00 14.23 C ATOM 822 C GLN A 52 4.942 -3.296 -7.359 1.00 30.23 C ATOM 823 O GLN A 52 5.438 -3.756 -6.330 1.00 44.03 O ATOM 824 CB GLN A 52 5.807 -4.072 -9.594 1.00 51.00 C ATOM 825 CG GLN A 52 5.679 -2.894 -10.544 1.00 1.23 C ATOM 826 CD GLN A 52 5.010 -3.262 -11.857 1.00 71.11 C ATOM 827 OE1 GLN A 52 5.287 -2.663 -12.896 1.00 53.41 O ATOM 828 NE2 GLN A 52 4.144 -4.269 -11.831 1.00 71.15 N ATOM 0 H GLN A 52 3.378 -3.448 -10.034 1.00 73.53 H new ATOM 0 HA GLN A 52 4.667 -5.234 -8.217 1.00 14.23 H new ATOM 0 HB2 GLN A 52 6.756 -3.991 -9.065 1.00 51.00 H new ATOM 0 HB3 GLN A 52 5.847 -4.990 -10.181 1.00 51.00 H new ATOM 0 HG2 GLN A 52 5.106 -2.104 -10.059 1.00 1.23 H new ATOM 0 HG3 GLN A 52 6.670 -2.489 -10.748 1.00 1.23 H new ATOM 0 HE21 GLN A 52 3.939 -4.742 -10.951 1.00 71.15 H new ATOM 0 HE22 GLN A 52 3.684 -4.569 -12.691 1.00 71.15 H new ATOM 837 N LYS A 53 4.596 -2.016 -7.477 1.00 70.11 N ATOM 838 CA LYS A 53 4.712 -1.105 -6.346 1.00 3.54 C ATOM 839 C LYS A 53 3.770 -1.544 -5.236 1.00 60.04 C ATOM 840 O LYS A 53 4.107 -1.466 -4.054 1.00 24.53 O ATOM 841 CB LYS A 53 4.404 0.338 -6.753 1.00 20.12 C ATOM 842 CG LYS A 53 5.425 0.975 -7.691 1.00 34.32 C ATOM 843 CD LYS A 53 6.779 1.182 -7.024 1.00 55.10 C ATOM 844 CE LYS A 53 7.653 -0.058 -7.105 1.00 2.13 C ATOM 845 NZ LYS A 53 8.096 -0.339 -8.498 1.00 5.33 N ATOM 0 H LYS A 53 4.238 -1.592 -8.333 1.00 70.11 H new ATOM 0 HA LYS A 53 5.741 -1.138 -5.989 1.00 3.54 H new ATOM 0 HB2 LYS A 53 3.426 0.363 -7.234 1.00 20.12 H new ATOM 0 HB3 LYS A 53 4.332 0.946 -5.852 1.00 20.12 H new ATOM 0 HG2 LYS A 53 5.549 0.343 -8.571 1.00 34.32 H new ATOM 0 HG3 LYS A 53 5.044 1.935 -8.039 1.00 34.32 H new ATOM 0 HD2 LYS A 53 7.292 2.018 -7.499 1.00 55.10 H new ATOM 0 HD3 LYS A 53 6.630 1.452 -5.979 1.00 55.10 H new ATOM 0 HE2 LYS A 53 8.527 0.072 -6.466 1.00 2.13 H new ATOM 0 HE3 LYS A 53 7.102 -0.916 -6.720 1.00 2.13 H new ATOM 0 HZ1 LYS A 53 8.933 -0.956 -8.478 1.00 5.33 H new ATOM 0 HZ2 LYS A 53 7.329 -0.812 -9.017 1.00 5.33 H new ATOM 0 HZ3 LYS A 53 8.336 0.555 -8.973 1.00 5.33 H new ATOM 859 N ALA A 54 2.590 -2.013 -5.628 1.00 33.20 N ATOM 860 CA ALA A 54 1.614 -2.525 -4.676 1.00 4.54 C ATOM 861 C ALA A 54 2.186 -3.702 -3.891 1.00 43.21 C ATOM 862 O ALA A 54 2.166 -3.698 -2.661 1.00 5.04 O ATOM 863 CB ALA A 54 0.332 -2.933 -5.393 1.00 44.30 C ATOM 0 H ALA A 54 2.287 -2.049 -6.601 1.00 33.20 H new ATOM 0 HA ALA A 54 1.378 -1.729 -3.970 1.00 4.54 H new ATOM 0 HB1 ALA A 54 -0.386 -3.313 -4.666 1.00 44.30 H new ATOM 0 HB2 ALA A 54 -0.091 -2.067 -5.903 1.00 44.30 H new ATOM 0 HB3 ALA A 54 0.555 -3.711 -6.123 1.00 44.30 H new ATOM 869 N LEU A 55 2.715 -4.688 -4.612 1.00 63.21 N ATOM 870 CA LEU A 55 3.288 -5.885 -3.998 1.00 31.13 C ATOM 871 C LEU A 55 4.388 -5.529 -3.005 1.00 74.11 C ATOM 872 O LEU A 55 4.371 -5.982 -1.859 1.00 31.11 O ATOM 873 CB LEU A 55 3.857 -6.814 -5.075 1.00 34.40 C ATOM 874 CG LEU A 55 2.827 -7.440 -6.014 1.00 31.12 C ATOM 875 CD1 LEU A 55 3.511 -8.281 -7.080 1.00 70.22 C ATOM 876 CD2 LEU A 55 1.842 -8.282 -5.230 1.00 75.43 C ATOM 0 H LEU A 55 2.759 -4.681 -5.631 1.00 63.21 H new ATOM 0 HA LEU A 55 2.488 -6.394 -3.460 1.00 31.13 H new ATOM 0 HB2 LEU A 55 4.574 -6.252 -5.673 1.00 34.40 H new ATOM 0 HB3 LEU A 55 4.410 -7.615 -4.584 1.00 34.40 H new ATOM 0 HG LEU A 55 2.283 -6.636 -6.509 1.00 31.12 H new ATOM 0 HD11 LEU A 55 2.759 -8.717 -7.737 1.00 70.22 H new ATOM 0 HD12 LEU A 55 4.183 -7.652 -7.664 1.00 70.22 H new ATOM 0 HD13 LEU A 55 4.082 -9.078 -6.604 1.00 70.22 H new ATOM 0 HD21 LEU A 55 1.115 -8.721 -5.913 1.00 75.43 H new ATOM 0 HD22 LEU A 55 2.376 -9.076 -4.709 1.00 75.43 H new ATOM 0 HD23 LEU A 55 1.325 -7.655 -4.503 1.00 75.43 H new ATOM 888 N ASN A 56 5.330 -4.708 -3.449 1.00 53.51 N ATOM 889 CA ASN A 56 6.472 -4.325 -2.625 1.00 34.21 C ATOM 890 C ASN A 56 6.035 -3.634 -1.339 1.00 4.42 C ATOM 891 O ASN A 56 6.558 -3.921 -0.263 1.00 53.33 O ATOM 892 CB ASN A 56 7.421 -3.416 -3.409 1.00 12.04 C ATOM 893 CG ASN A 56 8.205 -4.174 -4.462 1.00 13.44 C ATOM 894 OD1 ASN A 56 8.514 -5.352 -4.294 1.00 25.33 O ATOM 895 ND2 ASN A 56 8.540 -3.504 -5.552 1.00 43.43 N ATOM 0 H ASN A 56 5.327 -4.292 -4.380 1.00 53.51 H new ATOM 0 HA ASN A 56 6.996 -5.241 -2.353 1.00 34.21 H new ATOM 0 HB2 ASN A 56 6.847 -2.622 -3.888 1.00 12.04 H new ATOM 0 HB3 ASN A 56 8.114 -2.936 -2.718 1.00 12.04 H new ATOM 0 HD21 ASN A 56 9.073 -3.964 -6.290 1.00 43.43 H new ATOM 0 HD22 ASN A 56 8.265 -2.527 -5.655 1.00 43.43 H new ATOM 902 N ASN A 57 5.063 -2.741 -1.442 1.00 65.42 N ATOM 903 CA ASN A 57 4.612 -1.992 -0.276 1.00 31.32 C ATOM 904 C ASN A 57 3.736 -2.851 0.628 1.00 62.22 C ATOM 905 O ASN A 57 3.814 -2.747 1.851 1.00 1.15 O ATOM 906 CB ASN A 57 3.886 -0.712 -0.690 1.00 13.33 C ATOM 907 CG ASN A 57 4.856 0.367 -1.140 1.00 72.41 C ATOM 908 OD1 ASN A 57 5.346 1.152 -0.334 1.00 70.31 O ATOM 909 ND2 ASN A 57 5.145 0.410 -2.430 1.00 62.35 N ATOM 0 H ASN A 57 4.575 -2.518 -2.309 1.00 65.42 H new ATOM 0 HA ASN A 57 5.496 -1.705 0.294 1.00 31.32 H new ATOM 0 HB2 ASN A 57 3.189 -0.935 -1.498 1.00 13.33 H new ATOM 0 HB3 ASN A 57 3.295 -0.343 0.148 1.00 13.33 H new ATOM 0 HD21 ASN A 57 5.795 1.112 -2.784 1.00 62.35 H new ATOM 0 HD22 ASN A 57 4.718 -0.259 -3.071 1.00 62.35 H new ATOM 916 N TYR A 58 2.928 -3.723 0.031 1.00 51.54 N ATOM 917 CA TYR A 58 2.119 -4.655 0.810 1.00 63.02 C ATOM 918 C TYR A 58 3.015 -5.568 1.638 1.00 14.41 C ATOM 919 O TYR A 58 2.795 -5.750 2.833 1.00 61.23 O ATOM 920 CB TYR A 58 1.216 -5.503 -0.091 1.00 5.41 C ATOM 921 CG TYR A 58 0.003 -4.773 -0.631 1.00 63.03 C ATOM 922 CD1 TYR A 58 -0.578 -3.724 0.072 1.00 25.21 C ATOM 923 CD2 TYR A 58 -0.573 -5.148 -1.840 1.00 73.44 C ATOM 924 CE1 TYR A 58 -1.698 -3.073 -0.412 1.00 74.21 C ATOM 925 CE2 TYR A 58 -1.690 -4.500 -2.332 1.00 52.20 C ATOM 926 CZ TYR A 58 -2.247 -3.465 -1.615 1.00 53.11 C ATOM 927 OH TYR A 58 -3.361 -2.820 -2.101 1.00 51.52 O ATOM 0 H TYR A 58 2.816 -3.804 -0.980 1.00 51.54 H new ATOM 0 HA TYR A 58 1.486 -4.066 1.473 1.00 63.02 H new ATOM 0 HB2 TYR A 58 1.805 -5.872 -0.930 1.00 5.41 H new ATOM 0 HB3 TYR A 58 0.880 -6.375 0.470 1.00 5.41 H new ATOM 0 HD1 TYR A 58 -0.147 -3.412 1.012 1.00 25.21 H new ATOM 0 HD2 TYR A 58 -0.140 -5.960 -2.405 1.00 73.44 H new ATOM 0 HE1 TYR A 58 -2.140 -2.263 0.149 1.00 74.21 H new ATOM 0 HE2 TYR A 58 -2.123 -4.804 -3.273 1.00 52.20 H new ATOM 0 HH TYR A 58 -3.154 -2.420 -2.971 1.00 51.52 H new ATOM 937 N GLN A 59 4.038 -6.119 0.996 1.00 61.21 N ATOM 938 CA GLN A 59 4.970 -7.022 1.663 1.00 42.53 C ATOM 939 C GLN A 59 5.735 -6.298 2.769 1.00 15.32 C ATOM 940 O GLN A 59 6.089 -6.895 3.791 1.00 43.12 O ATOM 941 CB GLN A 59 5.941 -7.622 0.642 1.00 50.22 C ATOM 942 CG GLN A 59 6.911 -8.639 1.231 1.00 63.21 C ATOM 943 CD GLN A 59 6.208 -9.766 1.969 1.00 23.43 C ATOM 944 OE1 GLN A 59 5.078 -10.126 1.650 1.00 0.42 O ATOM 945 NE2 GLN A 59 6.869 -10.328 2.967 1.00 23.42 N ATOM 0 H GLN A 59 4.244 -5.956 0.010 1.00 61.21 H new ATOM 0 HA GLN A 59 4.399 -7.829 2.123 1.00 42.53 H new ATOM 0 HB2 GLN A 59 5.367 -8.100 -0.152 1.00 50.22 H new ATOM 0 HB3 GLN A 59 6.512 -6.816 0.181 1.00 50.22 H new ATOM 0 HG2 GLN A 59 7.520 -9.059 0.430 1.00 63.21 H new ATOM 0 HG3 GLN A 59 7.591 -8.131 1.915 1.00 63.21 H new ATOM 0 HE21 GLN A 59 7.806 -10.004 3.205 1.00 23.42 H new ATOM 0 HE22 GLN A 59 6.441 -11.086 3.499 1.00 23.42 H new ATOM 954 N SER A 60 5.972 -5.007 2.570 1.00 53.12 N ATOM 955 CA SER A 60 6.654 -4.197 3.569 1.00 13.22 C ATOM 956 C SER A 60 5.821 -4.124 4.850 1.00 53.20 C ATOM 957 O SER A 60 6.354 -4.202 5.954 1.00 11.51 O ATOM 958 CB SER A 60 6.926 -2.789 3.026 1.00 52.04 C ATOM 959 OG SER A 60 7.734 -2.832 1.858 1.00 33.02 O ATOM 0 H SER A 60 5.702 -4.500 1.727 1.00 53.12 H new ATOM 0 HA SER A 60 7.610 -4.666 3.801 1.00 13.22 H new ATOM 0 HB2 SER A 60 5.981 -2.296 2.799 1.00 52.04 H new ATOM 0 HB3 SER A 60 7.421 -2.191 3.791 1.00 52.04 H new ATOM 0 HG SER A 60 7.225 -3.232 1.123 1.00 33.02 H new ATOM 965 N ALA A 61 4.508 -4.006 4.690 1.00 22.23 N ATOM 966 CA ALA A 61 3.604 -3.934 5.830 1.00 64.10 C ATOM 967 C ALA A 61 3.438 -5.297 6.494 1.00 1.43 C ATOM 968 O ALA A 61 3.380 -5.399 7.718 1.00 32.43 O ATOM 969 CB ALA A 61 2.251 -3.398 5.395 1.00 61.04 C ATOM 0 H ALA A 61 4.046 -3.958 3.782 1.00 22.23 H new ATOM 0 HA ALA A 61 4.041 -3.253 6.561 1.00 64.10 H new ATOM 0 HB1 ALA A 61 1.585 -3.349 6.256 1.00 61.04 H new ATOM 0 HB2 ALA A 61 2.373 -2.400 4.974 1.00 61.04 H new ATOM 0 HB3 ALA A 61 1.823 -4.060 4.642 1.00 61.04 H new ATOM 975 N ILE A 62 3.376 -6.340 5.675 1.00 34.11 N ATOM 976 CA ILE A 62 3.156 -7.702 6.155 1.00 21.33 C ATOM 977 C ILE A 62 4.260 -8.160 7.107 1.00 21.00 C ATOM 978 O ILE A 62 3.997 -8.854 8.092 1.00 54.44 O ATOM 979 CB ILE A 62 3.047 -8.688 4.973 1.00 73.23 C ATOM 980 CG1 ILE A 62 1.818 -8.346 4.131 1.00 41.40 C ATOM 981 CG2 ILE A 62 2.977 -10.129 5.464 1.00 34.24 C ATOM 982 CD1 ILE A 62 1.706 -9.150 2.858 1.00 34.42 C ATOM 0 H ILE A 62 3.476 -6.268 4.663 1.00 34.11 H new ATOM 0 HA ILE A 62 2.216 -7.695 6.707 1.00 21.33 H new ATOM 0 HB ILE A 62 3.941 -8.593 4.357 1.00 73.23 H new ATOM 0 HG12 ILE A 62 0.922 -8.507 4.731 1.00 41.40 H new ATOM 0 HG13 ILE A 62 1.846 -7.286 3.878 1.00 41.40 H new ATOM 0 HG21 ILE A 62 2.901 -10.801 4.609 1.00 34.24 H new ATOM 0 HG22 ILE A 62 3.877 -10.364 6.031 1.00 34.24 H new ATOM 0 HG23 ILE A 62 2.103 -10.254 6.103 1.00 34.24 H new ATOM 0 HD11 ILE A 62 0.809 -8.850 2.316 1.00 34.42 H new ATOM 0 HD12 ILE A 62 2.583 -8.971 2.236 1.00 34.42 H new ATOM 0 HD13 ILE A 62 1.645 -10.211 3.102 1.00 34.42 H new ATOM 994 N GLU A 63 5.495 -7.773 6.826 1.00 61.33 N ATOM 995 CA GLU A 63 6.608 -8.183 7.671 1.00 21.11 C ATOM 996 C GLU A 63 6.781 -7.254 8.869 1.00 12.13 C ATOM 997 O GLU A 63 7.568 -7.537 9.771 1.00 32.13 O ATOM 998 CB GLU A 63 7.897 -8.296 6.861 1.00 72.23 C ATOM 999 CG GLU A 63 7.839 -9.418 5.840 1.00 54.25 C ATOM 1000 CD GLU A 63 9.197 -9.803 5.297 1.00 44.11 C ATOM 1001 OE1 GLU A 63 9.921 -10.551 5.988 1.00 43.25 O ATOM 1002 OE2 GLU A 63 9.532 -9.386 4.168 1.00 34.21 O ATOM 0 H GLU A 63 5.751 -7.185 6.033 1.00 61.33 H new ATOM 0 HA GLU A 63 6.374 -9.172 8.065 1.00 21.11 H new ATOM 0 HB2 GLU A 63 8.086 -7.352 6.350 1.00 72.23 H new ATOM 0 HB3 GLU A 63 8.735 -8.466 7.537 1.00 72.23 H new ATOM 0 HG2 GLU A 63 7.377 -10.293 6.298 1.00 54.25 H new ATOM 0 HG3 GLU A 63 7.197 -9.114 5.013 1.00 54.25 H new ATOM 1009 N LEU A 64 6.057 -6.146 8.876 1.00 24.20 N ATOM 1010 CA LEU A 64 6.012 -5.282 10.046 1.00 52.31 C ATOM 1011 C LEU A 64 4.886 -5.732 10.969 1.00 41.43 C ATOM 1012 O LEU A 64 5.062 -5.849 12.182 1.00 72.24 O ATOM 1013 CB LEU A 64 5.806 -3.822 9.635 1.00 40.31 C ATOM 1014 CG LEU A 64 6.943 -3.211 8.816 1.00 44.44 C ATOM 1015 CD1 LEU A 64 6.619 -1.774 8.447 1.00 64.00 C ATOM 1016 CD2 LEU A 64 8.252 -3.285 9.587 1.00 65.45 C ATOM 0 H LEU A 64 5.494 -5.824 8.088 1.00 24.20 H new ATOM 0 HA LEU A 64 6.963 -5.355 10.573 1.00 52.31 H new ATOM 0 HB2 LEU A 64 4.884 -3.750 9.058 1.00 40.31 H new ATOM 0 HB3 LEU A 64 5.666 -3.224 10.535 1.00 40.31 H new ATOM 0 HG LEU A 64 7.054 -3.784 7.896 1.00 44.44 H new ATOM 0 HD11 LEU A 64 7.439 -1.354 7.864 1.00 64.00 H new ATOM 0 HD12 LEU A 64 5.703 -1.748 7.856 1.00 64.00 H new ATOM 0 HD13 LEU A 64 6.482 -1.187 9.355 1.00 64.00 H new ATOM 0 HD21 LEU A 64 9.051 -2.846 8.990 1.00 65.45 H new ATOM 0 HD22 LEU A 64 8.154 -2.735 10.523 1.00 65.45 H new ATOM 0 HD23 LEU A 64 8.490 -4.327 9.801 1.00 65.45 H new ATOM 1028 N ASN A 65 3.734 -5.993 10.373 1.00 14.12 N ATOM 1029 CA ASN A 65 2.573 -6.478 11.100 1.00 20.42 C ATOM 1030 C ASN A 65 1.909 -7.597 10.304 1.00 14.44 C ATOM 1031 O ASN A 65 1.245 -7.346 9.300 1.00 43.43 O ATOM 1032 CB ASN A 65 1.595 -5.327 11.357 1.00 65.22 C ATOM 1033 CG ASN A 65 0.319 -5.762 12.053 1.00 72.41 C ATOM 1034 OD1 ASN A 65 0.291 -6.756 12.782 1.00 44.31 O ATOM 1035 ND2 ASN A 65 -0.744 -5.001 11.844 1.00 33.22 N ATOM 0 H ASN A 65 3.578 -5.875 9.372 1.00 14.12 H new ATOM 0 HA ASN A 65 2.884 -6.875 12.066 1.00 20.42 H new ATOM 0 HB2 ASN A 65 2.090 -4.569 11.963 1.00 65.22 H new ATOM 0 HB3 ASN A 65 1.340 -4.858 10.407 1.00 65.22 H new ATOM 0 HD21 ASN A 65 -1.631 -5.228 12.294 1.00 33.22 H new ATOM 0 HD22 ASN A 65 -0.676 -4.187 11.233 1.00 33.22 H new ATOM 1042 N PRO A 66 2.107 -8.850 10.736 1.00 41.13 N ATOM 1043 CA PRO A 66 1.652 -10.036 9.994 1.00 74.11 C ATOM 1044 C PRO A 66 0.134 -10.158 9.921 1.00 23.20 C ATOM 1045 O PRO A 66 -0.399 -10.858 9.061 1.00 41.13 O ATOM 1046 CB PRO A 66 2.239 -11.210 10.787 1.00 42.54 C ATOM 1047 CG PRO A 66 3.277 -10.610 11.676 1.00 50.23 C ATOM 1048 CD PRO A 66 2.803 -9.221 11.975 1.00 33.52 C ATOM 0 HA PRO A 66 1.976 -9.994 8.954 1.00 74.11 H new ATOM 0 HB2 PRO A 66 1.468 -11.715 11.369 1.00 42.54 H new ATOM 0 HB3 PRO A 66 2.675 -11.955 10.121 1.00 42.54 H new ATOM 0 HG2 PRO A 66 3.391 -11.190 12.592 1.00 50.23 H new ATOM 0 HG3 PRO A 66 4.250 -10.594 11.186 1.00 50.23 H new ATOM 0 HD2 PRO A 66 2.137 -9.196 12.838 1.00 33.52 H new ATOM 0 HD3 PRO A 66 3.632 -8.547 12.192 1.00 33.52 H new ATOM 1056 N ASP A 67 -0.557 -9.468 10.815 1.00 64.25 N ATOM 1057 CA ASP A 67 -2.013 -9.542 10.876 1.00 55.03 C ATOM 1058 C ASP A 67 -2.653 -8.322 10.233 1.00 3.33 C ATOM 1059 O ASP A 67 -3.833 -8.044 10.448 1.00 30.14 O ATOM 1060 CB ASP A 67 -2.482 -9.676 12.325 1.00 71.44 C ATOM 1061 CG ASP A 67 -2.282 -11.075 12.874 1.00 20.21 C ATOM 1062 OD1 ASP A 67 -1.203 -11.351 13.441 1.00 23.23 O ATOM 1063 OD2 ASP A 67 -3.207 -11.905 12.746 1.00 11.42 O ATOM 0 H ASP A 67 -0.136 -8.850 11.509 1.00 64.25 H new ATOM 0 HA ASP A 67 -2.325 -10.425 10.319 1.00 55.03 H new ATOM 0 HB2 ASP A 67 -1.938 -8.964 12.946 1.00 71.44 H new ATOM 0 HB3 ASP A 67 -3.538 -9.412 12.387 1.00 71.44 H new ATOM 1068 N SER A 68 -1.880 -7.599 9.438 1.00 61.54 N ATOM 1069 CA SER A 68 -2.386 -6.420 8.755 1.00 15.13 C ATOM 1070 C SER A 68 -3.232 -6.825 7.546 1.00 62.22 C ATOM 1071 O SER A 68 -3.076 -7.925 7.010 1.00 41.33 O ATOM 1072 CB SER A 68 -1.219 -5.530 8.312 1.00 72.21 C ATOM 1073 OG SER A 68 -0.332 -6.235 7.460 1.00 41.42 O ATOM 0 H SER A 68 -0.900 -7.808 9.250 1.00 61.54 H new ATOM 0 HA SER A 68 -3.016 -5.859 9.445 1.00 15.13 H new ATOM 0 HB2 SER A 68 -1.604 -4.652 7.794 1.00 72.21 H new ATOM 0 HB3 SER A 68 -0.678 -5.172 9.188 1.00 72.21 H new ATOM 0 HG SER A 68 0.453 -6.523 7.971 1.00 41.42 H new ATOM 1079 N PRO A 69 -4.141 -5.941 7.094 1.00 3.13 N ATOM 1080 CA PRO A 69 -4.985 -6.198 5.918 1.00 54.42 C ATOM 1081 C PRO A 69 -4.163 -6.323 4.636 1.00 72.41 C ATOM 1082 O PRO A 69 -4.670 -6.750 3.597 1.00 24.33 O ATOM 1083 CB PRO A 69 -5.897 -4.969 5.846 1.00 43.52 C ATOM 1084 CG PRO A 69 -5.190 -3.913 6.624 1.00 0.43 C ATOM 1085 CD PRO A 69 -4.431 -4.633 7.702 1.00 52.20 C ATOM 0 HA PRO A 69 -5.528 -7.139 6.008 1.00 54.42 H new ATOM 0 HB2 PRO A 69 -6.057 -4.657 4.814 1.00 43.52 H new ATOM 0 HB3 PRO A 69 -6.878 -5.181 6.271 1.00 43.52 H new ATOM 0 HG2 PRO A 69 -4.515 -3.343 5.985 1.00 0.43 H new ATOM 0 HG3 PRO A 69 -5.898 -3.204 7.052 1.00 0.43 H new ATOM 0 HD2 PRO A 69 -3.517 -4.104 7.973 1.00 52.20 H new ATOM 0 HD3 PRO A 69 -5.023 -4.734 8.612 1.00 52.20 H new ATOM 1093 N ALA A 70 -2.887 -5.963 4.720 1.00 14.25 N ATOM 1094 CA ALA A 70 -1.994 -6.021 3.574 1.00 0.21 C ATOM 1095 C ALA A 70 -1.717 -7.464 3.178 1.00 74.05 C ATOM 1096 O ALA A 70 -1.266 -7.736 2.064 1.00 64.15 O ATOM 1097 CB ALA A 70 -0.694 -5.292 3.877 1.00 14.22 C ATOM 0 H ALA A 70 -2.448 -5.626 5.577 1.00 14.25 H new ATOM 0 HA ALA A 70 -2.482 -5.526 2.735 1.00 0.21 H new ATOM 0 HB1 ALA A 70 -0.037 -5.345 3.009 1.00 14.22 H new ATOM 0 HB2 ALA A 70 -0.907 -4.248 4.108 1.00 14.22 H new ATOM 0 HB3 ALA A 70 -0.205 -5.760 4.731 1.00 14.22 H new ATOM 1103 N LEU A 71 -2.003 -8.384 4.098 1.00 75.02 N ATOM 1104 CA LEU A 71 -1.814 -9.808 3.861 1.00 3.25 C ATOM 1105 C LEU A 71 -2.618 -10.247 2.650 1.00 61.45 C ATOM 1106 O LEU A 71 -2.097 -10.807 1.683 1.00 12.31 O ATOM 1107 CB LEU A 71 -2.322 -10.592 5.073 1.00 3.02 C ATOM 1108 CG LEU A 71 -1.667 -11.948 5.295 1.00 0.44 C ATOM 1109 CD1 LEU A 71 -0.185 -11.785 5.592 1.00 1.15 C ATOM 1110 CD2 LEU A 71 -2.361 -12.685 6.425 1.00 4.34 C ATOM 0 H LEU A 71 -2.370 -8.161 5.023 1.00 75.02 H new ATOM 0 HA LEU A 71 -0.754 -9.997 3.693 1.00 3.25 H new ATOM 0 HB2 LEU A 71 -2.173 -9.985 5.966 1.00 3.02 H new ATOM 0 HB3 LEU A 71 -3.396 -10.740 4.964 1.00 3.02 H new ATOM 0 HG LEU A 71 -1.767 -12.536 4.383 1.00 0.44 H new ATOM 0 HD11 LEU A 71 0.265 -12.766 5.748 1.00 1.15 H new ATOM 0 HD12 LEU A 71 0.302 -11.291 4.751 1.00 1.15 H new ATOM 0 HD13 LEU A 71 -0.058 -11.181 6.490 1.00 1.15 H new ATOM 0 HD21 LEU A 71 -1.884 -13.654 6.575 1.00 4.34 H new ATOM 0 HD22 LEU A 71 -2.287 -12.099 7.341 1.00 4.34 H new ATOM 0 HD23 LEU A 71 -3.411 -12.833 6.172 1.00 4.34 H new ATOM 1122 N GLN A 72 -3.900 -9.951 2.724 1.00 21.11 N ATOM 1123 CA GLN A 72 -4.855 -10.346 1.715 1.00 55.52 C ATOM 1124 C GLN A 72 -4.724 -9.464 0.486 1.00 51.43 C ATOM 1125 O GLN A 72 -4.943 -9.909 -0.639 1.00 11.12 O ATOM 1126 CB GLN A 72 -6.255 -10.275 2.315 1.00 70.44 C ATOM 1127 CG GLN A 72 -6.365 -11.051 3.621 1.00 0.32 C ATOM 1128 CD GLN A 72 -6.238 -12.548 3.418 1.00 75.40 C ATOM 1129 OE1 GLN A 72 -6.574 -13.079 2.356 1.00 54.14 O ATOM 1130 NE2 GLN A 72 -5.766 -13.243 4.437 1.00 14.31 N ATOM 0 H GLN A 72 -4.310 -9.424 3.495 1.00 21.11 H new ATOM 0 HA GLN A 72 -4.661 -11.369 1.394 1.00 55.52 H new ATOM 0 HB2 GLN A 72 -6.520 -9.232 2.491 1.00 70.44 H new ATOM 0 HB3 GLN A 72 -6.975 -10.670 1.599 1.00 70.44 H new ATOM 0 HG2 GLN A 72 -5.588 -10.713 4.307 1.00 0.32 H new ATOM 0 HG3 GLN A 72 -7.324 -10.831 4.091 1.00 0.32 H new ATOM 0 HE21 GLN A 72 -5.499 -12.767 5.299 1.00 14.31 H new ATOM 0 HE22 GLN A 72 -5.669 -14.256 4.362 1.00 14.31 H new ATOM 1139 N ALA A 73 -4.338 -8.217 0.715 1.00 71.21 N ATOM 1140 CA ALA A 73 -4.135 -7.271 -0.366 1.00 34.11 C ATOM 1141 C ALA A 73 -2.994 -7.720 -1.277 1.00 15.42 C ATOM 1142 O ALA A 73 -3.124 -7.701 -2.502 1.00 72.54 O ATOM 1143 CB ALA A 73 -3.865 -5.890 0.201 1.00 1.23 C ATOM 0 H ALA A 73 -4.159 -7.838 1.645 1.00 71.21 H new ATOM 0 HA ALA A 73 -5.042 -7.230 -0.970 1.00 34.11 H new ATOM 0 HB1 ALA A 73 -3.713 -5.185 -0.616 1.00 1.23 H new ATOM 0 HB2 ALA A 73 -4.716 -5.571 0.803 1.00 1.23 H new ATOM 0 HB3 ALA A 73 -2.971 -5.921 0.824 1.00 1.23 H new ATOM 1149 N ARG A 74 -1.881 -8.137 -0.675 1.00 61.30 N ATOM 1150 CA ARG A 74 -0.742 -8.639 -1.439 1.00 34.00 C ATOM 1151 C ARG A 74 -1.145 -9.854 -2.256 1.00 71.02 C ATOM 1152 O ARG A 74 -0.927 -9.903 -3.470 1.00 0.14 O ATOM 1153 CB ARG A 74 0.419 -9.027 -0.521 1.00 20.00 C ATOM 1154 CG ARG A 74 1.591 -9.639 -1.274 1.00 72.42 C ATOM 1155 CD ARG A 74 2.547 -10.360 -0.342 1.00 42.00 C ATOM 1156 NE ARG A 74 3.623 -11.021 -1.077 1.00 5.41 N ATOM 1157 CZ ARG A 74 4.216 -12.148 -0.685 1.00 0.00 C ATOM 1158 NH1 ARG A 74 3.827 -12.767 0.426 1.00 72.54 N ATOM 1159 NH2 ARG A 74 5.196 -12.664 -1.417 1.00 73.12 N ATOM 0 H ARG A 74 -1.745 -8.137 0.336 1.00 61.30 H new ATOM 0 HA ARG A 74 -0.418 -7.836 -2.101 1.00 34.00 H new ATOM 0 HB2 ARG A 74 0.761 -8.143 0.017 1.00 20.00 H new ATOM 0 HB3 ARG A 74 0.063 -9.737 0.226 1.00 20.00 H new ATOM 0 HG2 ARG A 74 1.217 -10.338 -2.022 1.00 72.42 H new ATOM 0 HG3 ARG A 74 2.127 -8.856 -1.810 1.00 72.42 H new ATOM 0 HD2 ARG A 74 2.973 -9.648 0.364 1.00 42.00 H new ATOM 0 HD3 ARG A 74 1.998 -11.099 0.242 1.00 42.00 H new ATOM 0 HE ARG A 74 3.941 -10.592 -1.946 1.00 5.41 H new ATOM 0 HH11 ARG A 74 3.068 -12.380 0.987 1.00 72.54 H new ATOM 0 HH12 ARG A 74 4.287 -13.629 0.717 1.00 72.54 H new ATOM 0 HH21 ARG A 74 5.492 -12.198 -2.275 1.00 73.12 H new ATOM 0 HH22 ARG A 74 5.653 -13.526 -1.122 1.00 73.12 H new ATOM 1173 N LYS A 75 -1.735 -10.832 -1.578 1.00 44.13 N ATOM 1174 CA LYS A 75 -2.136 -12.071 -2.222 1.00 44.31 C ATOM 1175 C LYS A 75 -3.122 -11.795 -3.349 1.00 51.43 C ATOM 1176 O LYS A 75 -3.064 -12.434 -4.398 1.00 54.35 O ATOM 1177 CB LYS A 75 -2.735 -13.039 -1.197 1.00 21.00 C ATOM 1178 CG LYS A 75 -3.129 -14.382 -1.790 1.00 73.43 C ATOM 1179 CD LYS A 75 -3.395 -15.420 -0.714 1.00 22.14 C ATOM 1180 CE LYS A 75 -4.514 -15.001 0.223 1.00 63.01 C ATOM 1181 NZ LYS A 75 -4.785 -16.044 1.243 1.00 43.45 N ATOM 0 H LYS A 75 -1.945 -10.788 -0.581 1.00 44.13 H new ATOM 0 HA LYS A 75 -1.251 -12.538 -2.654 1.00 44.31 H new ATOM 0 HB2 LYS A 75 -2.013 -13.202 -0.397 1.00 21.00 H new ATOM 0 HB3 LYS A 75 -3.613 -12.579 -0.744 1.00 21.00 H new ATOM 0 HG2 LYS A 75 -4.021 -14.260 -2.405 1.00 73.43 H new ATOM 0 HG3 LYS A 75 -2.335 -14.736 -2.447 1.00 73.43 H new ATOM 0 HD2 LYS A 75 -3.653 -16.369 -1.183 1.00 22.14 H new ATOM 0 HD3 LYS A 75 -2.484 -15.586 -0.138 1.00 22.14 H new ATOM 0 HE2 LYS A 75 -4.246 -14.067 0.717 1.00 63.01 H new ATOM 0 HE3 LYS A 75 -5.420 -14.809 -0.352 1.00 63.01 H new ATOM 0 HZ1 LYS A 75 -5.554 -15.727 1.867 1.00 43.45 H new ATOM 0 HZ2 LYS A 75 -5.064 -16.927 0.770 1.00 43.45 H new ATOM 0 HZ3 LYS A 75 -3.927 -16.209 1.807 1.00 43.45 H new ATOM 1195 N MET A 76 -4.006 -10.824 -3.139 1.00 74.22 N ATOM 1196 CA MET A 76 -4.956 -10.418 -4.168 1.00 73.02 C ATOM 1197 C MET A 76 -4.221 -9.948 -5.417 1.00 74.32 C ATOM 1198 O MET A 76 -4.494 -10.413 -6.519 1.00 70.50 O ATOM 1199 CB MET A 76 -5.852 -9.282 -3.666 1.00 42.04 C ATOM 1200 CG MET A 76 -6.857 -8.813 -4.706 1.00 64.05 C ATOM 1201 SD MET A 76 -7.403 -7.118 -4.442 1.00 52.44 S ATOM 1202 CE MET A 76 -5.913 -6.231 -4.897 1.00 20.13 C ATOM 0 H MET A 76 -4.084 -10.304 -2.265 1.00 74.22 H new ATOM 0 HA MET A 76 -5.572 -11.285 -4.408 1.00 73.02 H new ATOM 0 HB2 MET A 76 -6.387 -9.615 -2.776 1.00 42.04 H new ATOM 0 HB3 MET A 76 -5.228 -8.440 -3.366 1.00 42.04 H new ATOM 0 HG2 MET A 76 -6.411 -8.895 -5.697 1.00 64.05 H new ATOM 0 HG3 MET A 76 -7.723 -9.475 -4.691 1.00 64.05 H new ATOM 0 HE1 MET A 76 -5.574 -5.632 -4.052 1.00 20.13 H new ATOM 0 HE2 MET A 76 -5.135 -6.943 -5.172 1.00 20.13 H new ATOM 0 HE3 MET A 76 -6.123 -5.578 -5.744 1.00 20.13 H new ATOM 1212 N VAL A 77 -3.273 -9.040 -5.225 1.00 32.03 N ATOM 1213 CA VAL A 77 -2.532 -8.450 -6.334 1.00 41.44 C ATOM 1214 C VAL A 77 -1.762 -9.509 -7.116 1.00 20.13 C ATOM 1215 O VAL A 77 -1.847 -9.575 -8.344 1.00 3.12 O ATOM 1216 CB VAL A 77 -1.550 -7.366 -5.841 1.00 22.10 C ATOM 1217 CG1 VAL A 77 -0.663 -6.882 -6.976 1.00 31.03 C ATOM 1218 CG2 VAL A 77 -2.307 -6.199 -5.230 1.00 12.23 C ATOM 0 H VAL A 77 -2.997 -8.694 -4.306 1.00 32.03 H new ATOM 0 HA VAL A 77 -3.268 -7.989 -6.993 1.00 41.44 H new ATOM 0 HB VAL A 77 -0.914 -7.810 -5.075 1.00 22.10 H new ATOM 0 HG11 VAL A 77 0.020 -6.119 -6.604 1.00 31.03 H new ATOM 0 HG12 VAL A 77 -0.090 -7.720 -7.372 1.00 31.03 H new ATOM 0 HG13 VAL A 77 -1.282 -6.460 -7.767 1.00 31.03 H new ATOM 0 HG21 VAL A 77 -1.598 -5.445 -4.888 1.00 12.23 H new ATOM 0 HG22 VAL A 77 -2.969 -5.763 -5.978 1.00 12.23 H new ATOM 0 HG23 VAL A 77 -2.898 -6.551 -4.385 1.00 12.23 H new ATOM 1228 N MET A 78 -1.029 -10.351 -6.401 1.00 34.00 N ATOM 1229 CA MET A 78 -0.191 -11.351 -7.045 1.00 40.34 C ATOM 1230 C MET A 78 -1.045 -12.444 -7.687 1.00 62.12 C ATOM 1231 O MET A 78 -0.647 -13.042 -8.686 1.00 22.14 O ATOM 1232 CB MET A 78 0.811 -11.942 -6.047 1.00 20.22 C ATOM 1233 CG MET A 78 0.185 -12.781 -4.947 1.00 75.24 C ATOM 1234 SD MET A 78 1.359 -13.200 -3.642 1.00 62.14 S ATOM 1235 CE MET A 78 2.724 -13.852 -4.600 1.00 4.32 C ATOM 0 H MET A 78 -0.998 -10.362 -5.382 1.00 34.00 H new ATOM 0 HA MET A 78 0.376 -10.864 -7.839 1.00 40.34 H new ATOM 0 HB2 MET A 78 1.528 -12.557 -6.592 1.00 20.22 H new ATOM 0 HB3 MET A 78 1.373 -11.127 -5.590 1.00 20.22 H new ATOM 0 HG2 MET A 78 -0.655 -12.238 -4.514 1.00 75.24 H new ATOM 0 HG3 MET A 78 -0.216 -13.698 -5.378 1.00 75.24 H new ATOM 0 HE1 MET A 78 3.441 -14.331 -3.933 1.00 4.32 H new ATOM 0 HE2 MET A 78 2.349 -14.584 -5.315 1.00 4.32 H new ATOM 0 HE3 MET A 78 3.214 -13.039 -5.136 1.00 4.32 H new ATOM 1245 N ASP A 79 -2.227 -12.691 -7.129 1.00 75.14 N ATOM 1246 CA ASP A 79 -3.150 -13.659 -7.714 1.00 24.43 C ATOM 1247 C ASP A 79 -3.807 -13.070 -8.957 1.00 62.14 C ATOM 1248 O ASP A 79 -4.050 -13.777 -9.935 1.00 5.11 O ATOM 1249 CB ASP A 79 -4.225 -14.085 -6.714 1.00 21.14 C ATOM 1250 CG ASP A 79 -5.069 -15.230 -7.237 1.00 73.42 C ATOM 1251 OD1 ASP A 79 -4.589 -16.382 -7.219 1.00 60.34 O ATOM 1252 OD2 ASP A 79 -6.211 -14.987 -7.685 1.00 33.51 O ATOM 0 H ASP A 79 -2.566 -12.239 -6.280 1.00 75.14 H new ATOM 0 HA ASP A 79 -2.574 -14.543 -7.989 1.00 24.43 H new ATOM 0 HB2 ASP A 79 -3.752 -14.382 -5.778 1.00 21.14 H new ATOM 0 HB3 ASP A 79 -4.868 -13.234 -6.490 1.00 21.14 H new ATOM 1257 N ILE A 80 -4.099 -11.772 -8.904 1.00 13.31 N ATOM 1258 CA ILE A 80 -4.604 -11.049 -10.066 1.00 22.23 C ATOM 1259 C ILE A 80 -3.576 -11.090 -11.190 1.00 41.33 C ATOM 1260 O ILE A 80 -3.917 -11.336 -12.345 1.00 62.42 O ATOM 1261 CB ILE A 80 -4.961 -9.583 -9.717 1.00 55.43 C ATOM 1262 CG1 ILE A 80 -6.234 -9.539 -8.871 1.00 2.01 C ATOM 1263 CG2 ILE A 80 -5.141 -8.752 -10.982 1.00 71.34 C ATOM 1264 CD1 ILE A 80 -6.596 -8.153 -8.387 1.00 60.42 C ATOM 0 H ILE A 80 -3.994 -11.200 -8.066 1.00 13.31 H new ATOM 0 HA ILE A 80 -5.520 -11.540 -10.395 1.00 22.23 H new ATOM 0 HB ILE A 80 -4.138 -9.157 -9.143 1.00 55.43 H new ATOM 0 HG12 ILE A 80 -7.063 -9.937 -9.457 1.00 2.01 H new ATOM 0 HG13 ILE A 80 -6.109 -10.194 -8.009 1.00 2.01 H new ATOM 0 HG21 ILE A 80 -5.391 -7.726 -10.711 1.00 71.34 H new ATOM 0 HG22 ILE A 80 -4.215 -8.760 -11.557 1.00 71.34 H new ATOM 0 HG23 ILE A 80 -5.946 -9.175 -11.584 1.00 71.34 H new ATOM 0 HD11 ILE A 80 -7.509 -8.202 -7.794 1.00 60.42 H new ATOM 0 HD12 ILE A 80 -5.786 -7.759 -7.774 1.00 60.42 H new ATOM 0 HD13 ILE A 80 -6.754 -7.498 -9.244 1.00 60.42 H new ATOM 1276 N LEU A 81 -2.313 -10.867 -10.841 1.00 23.05 N ATOM 1277 CA LEU A 81 -1.219 -11.018 -11.800 1.00 63.40 C ATOM 1278 C LEU A 81 -1.176 -12.440 -12.353 1.00 22.33 C ATOM 1279 O LEU A 81 -1.014 -12.644 -13.557 1.00 31.03 O ATOM 1280 CB LEU A 81 0.120 -10.683 -11.147 1.00 42.11 C ATOM 1281 CG LEU A 81 0.326 -9.209 -10.811 1.00 51.25 C ATOM 1282 CD1 LEU A 81 1.662 -9.014 -10.121 1.00 64.32 C ATOM 1283 CD2 LEU A 81 0.250 -8.365 -12.073 1.00 13.21 C ATOM 0 H LEU A 81 -2.020 -10.582 -9.906 1.00 23.05 H new ATOM 0 HA LEU A 81 -1.398 -10.324 -12.621 1.00 63.40 H new ATOM 0 HB2 LEU A 81 0.215 -11.265 -10.230 1.00 42.11 H new ATOM 0 HB3 LEU A 81 0.921 -11.003 -11.813 1.00 42.11 H new ATOM 0 HG LEU A 81 -0.466 -8.888 -10.134 1.00 51.25 H new ATOM 0 HD11 LEU A 81 1.799 -7.959 -9.886 1.00 64.32 H new ATOM 0 HD12 LEU A 81 1.685 -9.597 -9.200 1.00 64.32 H new ATOM 0 HD13 LEU A 81 2.464 -9.346 -10.780 1.00 64.32 H new ATOM 0 HD21 LEU A 81 0.399 -7.316 -11.818 1.00 13.21 H new ATOM 0 HD22 LEU A 81 1.025 -8.683 -12.770 1.00 13.21 H new ATOM 0 HD23 LEU A 81 -0.729 -8.491 -12.536 1.00 13.21 H new ATOM 1295 N ASN A 82 -1.322 -13.416 -11.461 1.00 22.42 N ATOM 1296 CA ASN A 82 -1.359 -14.828 -11.844 1.00 43.41 C ATOM 1297 C ASN A 82 -2.535 -15.101 -12.781 1.00 2.34 C ATOM 1298 O ASN A 82 -2.444 -15.927 -13.688 1.00 22.53 O ATOM 1299 CB ASN A 82 -1.456 -15.702 -10.584 1.00 52.33 C ATOM 1300 CG ASN A 82 -1.517 -17.193 -10.879 1.00 22.20 C ATOM 1301 OD1 ASN A 82 -1.013 -17.665 -11.899 1.00 13.25 O ATOM 1302 ND2 ASN A 82 -2.121 -17.949 -9.974 1.00 70.01 N ATOM 0 H ASN A 82 -1.418 -13.254 -10.458 1.00 22.42 H new ATOM 0 HA ASN A 82 -0.441 -15.075 -12.377 1.00 43.41 H new ATOM 0 HB2 ASN A 82 -0.595 -15.501 -9.946 1.00 52.33 H new ATOM 0 HB3 ASN A 82 -2.344 -15.415 -10.021 1.00 52.33 H new ATOM 0 HD21 ASN A 82 -2.180 -18.958 -10.110 1.00 70.01 H new ATOM 0 HD22 ASN A 82 -2.527 -17.522 -9.141 1.00 70.01 H new ATOM 1309 N PHE A 83 -3.632 -14.389 -12.556 1.00 4.04 N ATOM 1310 CA PHE A 83 -4.813 -14.493 -13.402 1.00 73.51 C ATOM 1311 C PHE A 83 -4.564 -13.824 -14.753 1.00 14.34 C ATOM 1312 O PHE A 83 -4.984 -14.331 -15.794 1.00 50.30 O ATOM 1313 CB PHE A 83 -6.014 -13.849 -12.695 1.00 0.13 C ATOM 1314 CG PHE A 83 -7.303 -13.935 -13.466 1.00 15.54 C ATOM 1315 CD1 PHE A 83 -8.036 -15.110 -13.479 1.00 45.11 C ATOM 1316 CD2 PHE A 83 -7.785 -12.838 -14.164 1.00 71.41 C ATOM 1317 CE1 PHE A 83 -9.224 -15.193 -14.179 1.00 60.12 C ATOM 1318 CE2 PHE A 83 -8.973 -12.915 -14.866 1.00 63.01 C ATOM 1319 CZ PHE A 83 -9.694 -14.093 -14.873 1.00 45.41 C ATOM 0 H PHE A 83 -3.728 -13.727 -11.786 1.00 4.04 H new ATOM 0 HA PHE A 83 -5.030 -15.546 -13.580 1.00 73.51 H new ATOM 0 HB2 PHE A 83 -6.151 -14.329 -11.726 1.00 0.13 H new ATOM 0 HB3 PHE A 83 -5.788 -12.800 -12.502 1.00 0.13 H new ATOM 0 HD1 PHE A 83 -7.675 -15.971 -12.936 1.00 45.11 H new ATOM 0 HD2 PHE A 83 -7.226 -11.914 -14.159 1.00 71.41 H new ATOM 0 HE1 PHE A 83 -9.785 -16.116 -14.184 1.00 60.12 H new ATOM 0 HE2 PHE A 83 -9.337 -12.055 -15.408 1.00 63.01 H new ATOM 0 HZ PHE A 83 -10.623 -14.155 -15.420 1.00 45.41 H new ATOM 1329 N TYR A 84 -3.872 -12.691 -14.722 1.00 60.53 N ATOM 1330 CA TYR A 84 -3.549 -11.944 -15.932 1.00 62.42 C ATOM 1331 C TYR A 84 -2.631 -12.737 -16.852 1.00 45.54 C ATOM 1332 O TYR A 84 -2.984 -13.026 -17.995 1.00 71.31 O ATOM 1333 CB TYR A 84 -2.876 -10.613 -15.588 1.00 63.45 C ATOM 1334 CG TYR A 84 -3.812 -9.534 -15.089 1.00 52.34 C ATOM 1335 CD1 TYR A 84 -5.188 -9.624 -15.268 1.00 21.34 C ATOM 1336 CD2 TYR A 84 -3.307 -8.408 -14.454 1.00 14.42 C ATOM 1337 CE1 TYR A 84 -6.031 -8.619 -14.829 1.00 75.13 C ATOM 1338 CE2 TYR A 84 -4.143 -7.405 -14.010 1.00 53.11 C ATOM 1339 CZ TYR A 84 -5.502 -7.513 -14.199 1.00 11.33 C ATOM 1340 OH TYR A 84 -6.332 -6.506 -13.764 1.00 74.45 O ATOM 0 H TYR A 84 -3.521 -12.266 -13.864 1.00 60.53 H new ATOM 0 HA TYR A 84 -4.491 -11.756 -16.448 1.00 62.42 H new ATOM 0 HB2 TYR A 84 -2.115 -10.793 -14.828 1.00 63.45 H new ATOM 0 HB3 TYR A 84 -2.360 -10.244 -16.474 1.00 63.45 H new ATOM 0 HD1 TYR A 84 -5.605 -10.492 -15.757 1.00 21.34 H new ATOM 0 HD2 TYR A 84 -2.241 -8.316 -14.305 1.00 14.42 H new ATOM 0 HE1 TYR A 84 -7.097 -8.700 -14.979 1.00 75.13 H new ATOM 0 HE2 TYR A 84 -3.732 -6.537 -13.515 1.00 53.11 H new ATOM 0 HH TYR A 84 -5.798 -5.802 -13.341 1.00 74.45 H new ATOM 1350 N ASN A 85 -1.451 -13.085 -16.353 1.00 62.30 N ATOM 1351 CA ASN A 85 -0.440 -13.728 -17.184 1.00 75.32 C ATOM 1352 C ASN A 85 0.567 -14.496 -16.337 1.00 14.22 C ATOM 1353 O ASN A 85 0.429 -14.608 -15.117 1.00 61.42 O ATOM 1354 CB ASN A 85 0.306 -12.682 -18.030 1.00 31.34 C ATOM 1355 CG ASN A 85 1.159 -11.739 -17.190 1.00 21.34 C ATOM 1356 OD1 ASN A 85 2.324 -12.023 -16.905 1.00 75.25 O ATOM 1357 ND2 ASN A 85 0.600 -10.603 -16.811 1.00 22.51 N ATOM 0 H ASN A 85 -1.172 -12.934 -15.384 1.00 62.30 H new ATOM 0 HA ASN A 85 -0.955 -14.430 -17.840 1.00 75.32 H new ATOM 0 HB2 ASN A 85 0.942 -13.193 -18.752 1.00 31.34 H new ATOM 0 HB3 ASN A 85 -0.418 -12.099 -18.599 1.00 31.34 H new ATOM 0 HD21 ASN A 85 1.136 -9.928 -16.265 1.00 22.51 H new ATOM 0 HD22 ASN A 85 -0.367 -10.401 -17.065 1.00 22.51 H new ATOM 1364 N LYS A 86 1.578 -15.038 -16.998 1.00 42.31 N ATOM 1365 CA LYS A 86 2.671 -15.699 -16.313 1.00 32.44 C ATOM 1366 C LYS A 86 3.993 -15.285 -16.945 1.00 54.13 C ATOM 1367 O LYS A 86 5.002 -15.984 -16.875 1.00 4.15 O ATOM 1368 CB LYS A 86 2.495 -17.210 -16.365 1.00 74.33 C ATOM 1369 CG LYS A 86 3.363 -17.927 -15.357 1.00 10.21 C ATOM 1370 CD LYS A 86 3.086 -17.456 -13.931 1.00 1.40 C ATOM 1371 CE LYS A 86 1.757 -17.967 -13.379 1.00 3.14 C ATOM 1372 NZ LYS A 86 0.570 -17.442 -14.115 1.00 63.54 N ATOM 0 H LYS A 86 1.662 -15.031 -18.015 1.00 42.31 H new ATOM 0 HA LYS A 86 2.673 -15.398 -15.265 1.00 32.44 H new ATOM 0 HB2 LYS A 86 1.450 -17.458 -16.181 1.00 74.33 H new ATOM 0 HB3 LYS A 86 2.736 -17.567 -17.366 1.00 74.33 H new ATOM 0 HG2 LYS A 86 3.188 -19.001 -15.425 1.00 10.21 H new ATOM 0 HG3 LYS A 86 4.413 -17.759 -15.597 1.00 10.21 H new ATOM 0 HD2 LYS A 86 3.895 -17.790 -13.281 1.00 1.40 H new ATOM 0 HD3 LYS A 86 3.087 -16.366 -13.908 1.00 1.40 H new ATOM 0 HE2 LYS A 86 1.749 -19.056 -13.421 1.00 3.14 H new ATOM 0 HE3 LYS A 86 1.677 -17.688 -12.328 1.00 3.14 H new ATOM 0 HZ1 LYS A 86 -0.257 -17.439 -13.484 1.00 63.54 H new ATOM 0 HZ2 LYS A 86 0.763 -16.472 -14.438 1.00 63.54 H new ATOM 0 HZ3 LYS A 86 0.375 -18.048 -14.937 1.00 63.54 H new ATOM 1386 N ASP A 87 3.961 -14.119 -17.543 1.00 34.34 N ATOM 1387 CA ASP A 87 5.118 -13.549 -18.212 1.00 71.51 C ATOM 1388 C ASP A 87 5.963 -12.761 -17.220 1.00 63.21 C ATOM 1389 O ASP A 87 7.071 -13.161 -16.873 1.00 34.11 O ATOM 1390 CB ASP A 87 4.655 -12.644 -19.361 1.00 51.20 C ATOM 1391 CG ASP A 87 5.785 -11.855 -19.988 1.00 24.13 C ATOM 1392 OD1 ASP A 87 6.490 -12.406 -20.856 1.00 54.24 O ATOM 1393 OD2 ASP A 87 5.963 -10.673 -19.629 1.00 30.32 O ATOM 0 H ASP A 87 3.129 -13.531 -17.583 1.00 34.34 H new ATOM 0 HA ASP A 87 5.729 -14.354 -18.620 1.00 71.51 H new ATOM 0 HB2 ASP A 87 4.178 -13.255 -20.127 1.00 51.20 H new ATOM 0 HB3 ASP A 87 3.900 -11.952 -18.989 1.00 51.20 H new ATOM 1398 N MET A 88 5.409 -11.663 -16.728 1.00 50.23 N ATOM 1399 CA MET A 88 6.142 -10.779 -15.830 1.00 23.55 C ATOM 1400 C MET A 88 6.007 -11.217 -14.377 1.00 41.51 C ATOM 1401 O MET A 88 6.794 -10.800 -13.524 1.00 25.43 O ATOM 1402 CB MET A 88 5.679 -9.325 -16.006 1.00 61.10 C ATOM 1403 CG MET A 88 4.167 -9.144 -16.121 1.00 14.32 C ATOM 1404 SD MET A 88 3.268 -9.498 -14.592 1.00 23.33 S ATOM 1405 CE MET A 88 3.881 -8.202 -13.521 1.00 31.23 C ATOM 0 H MET A 88 4.456 -11.362 -16.934 1.00 50.23 H new ATOM 0 HA MET A 88 7.198 -10.841 -16.094 1.00 23.55 H new ATOM 0 HB2 MET A 88 6.038 -8.739 -15.160 1.00 61.10 H new ATOM 0 HB3 MET A 88 6.149 -8.914 -16.900 1.00 61.10 H new ATOM 0 HG2 MET A 88 3.956 -8.119 -16.426 1.00 14.32 H new ATOM 0 HG3 MET A 88 3.792 -9.795 -16.911 1.00 14.32 H new ATOM 0 HE1 MET A 88 3.339 -8.224 -12.576 1.00 31.23 H new ATOM 0 HE2 MET A 88 4.944 -8.357 -13.334 1.00 31.23 H new ATOM 0 HE3 MET A 88 3.734 -7.234 -14.000 1.00 31.23 H new ATOM 1415 N TYR A 89 5.027 -12.077 -14.106 1.00 30.13 N ATOM 1416 CA TYR A 89 4.735 -12.522 -12.756 1.00 71.43 C ATOM 1417 C TYR A 89 5.922 -13.259 -12.137 1.00 13.44 C ATOM 1418 O TYR A 89 6.220 -13.089 -10.957 1.00 31.33 O ATOM 1419 CB TYR A 89 3.497 -13.418 -12.779 1.00 53.40 C ATOM 1420 CG TYR A 89 3.098 -13.932 -11.421 1.00 62.30 C ATOM 1421 CD1 TYR A 89 2.816 -13.055 -10.389 1.00 20.14 C ATOM 1422 CD2 TYR A 89 3.014 -15.288 -11.176 1.00 62.52 C ATOM 1423 CE1 TYR A 89 2.457 -13.519 -9.137 1.00 52.21 C ATOM 1424 CE2 TYR A 89 2.656 -15.768 -9.930 1.00 23.53 C ATOM 1425 CZ TYR A 89 2.377 -14.878 -8.913 1.00 20.34 C ATOM 1426 OH TYR A 89 2.019 -15.348 -7.668 1.00 50.32 O ATOM 0 H TYR A 89 4.418 -12.481 -14.818 1.00 30.13 H new ATOM 0 HA TYR A 89 4.542 -11.647 -12.135 1.00 71.43 H new ATOM 0 HB2 TYR A 89 2.663 -12.860 -13.206 1.00 53.40 H new ATOM 0 HB3 TYR A 89 3.685 -14.266 -13.438 1.00 53.40 H new ATOM 0 HD1 TYR A 89 2.877 -11.991 -10.564 1.00 20.14 H new ATOM 0 HD2 TYR A 89 3.232 -15.986 -11.971 1.00 62.52 H new ATOM 0 HE1 TYR A 89 2.241 -12.823 -8.340 1.00 52.21 H new ATOM 0 HE2 TYR A 89 2.595 -16.832 -9.754 1.00 23.53 H new ATOM 0 HH TYR A 89 2.009 -16.328 -7.679 1.00 50.32 H new ATOM 1436 N ASN A 90 6.614 -14.047 -12.943 1.00 73.30 N ATOM 1437 CA ASN A 90 7.733 -14.840 -12.448 1.00 41.21 C ATOM 1438 C ASN A 90 9.019 -14.027 -12.446 1.00 60.13 C ATOM 1439 O ASN A 90 10.063 -14.500 -11.989 1.00 41.10 O ATOM 1440 CB ASN A 90 7.924 -16.096 -13.303 1.00 33.42 C ATOM 1441 CG ASN A 90 6.744 -17.041 -13.226 1.00 1.33 C ATOM 1442 OD1 ASN A 90 6.035 -17.095 -12.219 1.00 64.43 O ATOM 1443 ND2 ASN A 90 6.530 -17.805 -14.283 1.00 74.03 N ATOM 0 H ASN A 90 6.424 -14.156 -13.939 1.00 73.30 H new ATOM 0 HA ASN A 90 7.502 -15.135 -11.424 1.00 41.21 H new ATOM 0 HB2 ASN A 90 8.082 -15.803 -14.341 1.00 33.42 H new ATOM 0 HB3 ASN A 90 8.824 -16.618 -12.978 1.00 33.42 H new ATOM 0 HD21 ASN A 90 5.756 -18.469 -14.284 1.00 74.03 H new ATOM 0 HD22 ASN A 90 7.139 -17.731 -15.098 1.00 74.03 H new ATOM 1450 N GLN A 91 8.943 -12.805 -12.956 1.00 72.44 N ATOM 1451 CA GLN A 91 10.127 -11.976 -13.095 1.00 74.33 C ATOM 1452 C GLN A 91 10.217 -10.934 -11.984 1.00 11.34 C ATOM 1453 O GLN A 91 11.284 -10.740 -11.403 1.00 21.13 O ATOM 1454 CB GLN A 91 10.139 -11.294 -14.460 1.00 64.45 C ATOM 1455 CG GLN A 91 11.445 -10.580 -14.768 1.00 32.53 C ATOM 1456 CD GLN A 91 11.466 -9.987 -16.162 1.00 31.13 C ATOM 1457 OE1 GLN A 91 11.864 -10.645 -17.121 1.00 35.24 O ATOM 1458 NE2 GLN A 91 11.050 -8.737 -16.282 1.00 72.32 N ATOM 0 H GLN A 91 8.078 -12.370 -13.278 1.00 72.44 H new ATOM 0 HA GLN A 91 10.998 -12.626 -13.013 1.00 74.33 H new ATOM 0 HB2 GLN A 91 9.951 -12.040 -15.232 1.00 64.45 H new ATOM 0 HB3 GLN A 91 9.321 -10.575 -14.506 1.00 64.45 H new ATOM 0 HG2 GLN A 91 11.603 -9.787 -14.037 1.00 32.53 H new ATOM 0 HG3 GLN A 91 12.273 -11.281 -14.662 1.00 32.53 H new ATOM 0 HE21 GLN A 91 10.727 -8.226 -15.460 1.00 72.32 H new ATOM 0 HE22 GLN A 91 11.052 -8.284 -17.196 1.00 72.32 H new ATOM 1467 N LEU A 92 9.106 -10.266 -11.682 1.00 51.24 N ATOM 1468 CA LEU A 92 9.122 -9.215 -10.665 1.00 64.53 C ATOM 1469 C LEU A 92 9.164 -9.827 -9.265 1.00 4.54 C ATOM 1470 O LEU A 92 9.710 -9.239 -8.329 1.00 21.14 O ATOM 1471 CB LEU A 92 7.914 -8.268 -10.808 1.00 42.14 C ATOM 1472 CG LEU A 92 6.627 -8.681 -10.079 1.00 53.31 C ATOM 1473 CD1 LEU A 92 5.634 -7.531 -10.072 1.00 42.42 C ATOM 1474 CD2 LEU A 92 5.990 -9.897 -10.722 1.00 11.23 C ATOM 0 H LEU A 92 8.198 -10.429 -12.117 1.00 51.24 H new ATOM 0 HA LEU A 92 10.024 -8.622 -10.815 1.00 64.53 H new ATOM 0 HB2 LEU A 92 8.209 -7.283 -10.447 1.00 42.14 H new ATOM 0 HB3 LEU A 92 7.686 -8.164 -11.869 1.00 42.14 H new ATOM 0 HG LEU A 92 6.897 -8.937 -9.055 1.00 53.31 H new ATOM 0 HD11 LEU A 92 4.726 -7.837 -9.552 1.00 42.42 H new ATOM 0 HD12 LEU A 92 6.073 -6.674 -9.561 1.00 42.42 H new ATOM 0 HD13 LEU A 92 5.389 -7.255 -11.098 1.00 42.42 H new ATOM 0 HD21 LEU A 92 5.082 -10.161 -10.180 1.00 11.23 H new ATOM 0 HD22 LEU A 92 5.742 -9.672 -11.759 1.00 11.23 H new ATOM 0 HD23 LEU A 92 6.688 -10.733 -10.689 1.00 11.23 H new ATOM 1486 N GLU A 93 8.595 -11.013 -9.135 1.00 62.15 N ATOM 1487 CA GLU A 93 8.587 -11.725 -7.873 1.00 40.42 C ATOM 1488 C GLU A 93 9.038 -13.155 -8.118 1.00 52.41 C ATOM 1489 O GLU A 93 8.303 -13.964 -8.681 1.00 43.41 O ATOM 1490 CB GLU A 93 7.185 -11.681 -7.253 1.00 42.45 C ATOM 1491 CG GLU A 93 7.177 -11.686 -5.729 1.00 44.43 C ATOM 1492 CD GLU A 93 7.556 -13.021 -5.125 1.00 62.44 C ATOM 1493 OE1 GLU A 93 8.766 -13.336 -5.069 1.00 75.42 O ATOM 1494 OE2 GLU A 93 6.646 -13.749 -4.688 1.00 30.21 O ATOM 0 H GLU A 93 8.129 -11.505 -9.897 1.00 62.15 H new ATOM 0 HA GLU A 93 9.273 -11.253 -7.169 1.00 40.42 H new ATOM 0 HB2 GLU A 93 6.672 -10.786 -7.605 1.00 42.45 H new ATOM 0 HB3 GLU A 93 6.614 -12.538 -7.611 1.00 42.45 H new ATOM 0 HG2 GLU A 93 7.868 -10.924 -5.368 1.00 44.43 H new ATOM 0 HG3 GLU A 93 6.183 -11.407 -5.378 1.00 44.43 H new ATOM 1501 N HIS A 94 10.263 -13.455 -7.727 1.00 3.43 N ATOM 1502 CA HIS A 94 10.852 -14.746 -8.022 1.00 54.52 C ATOM 1503 C HIS A 94 11.325 -15.426 -6.740 1.00 34.22 C ATOM 1504 O HIS A 94 12.503 -15.762 -6.599 1.00 34.43 O ATOM 1505 CB HIS A 94 12.016 -14.575 -9.007 1.00 22.51 C ATOM 1506 CG HIS A 94 12.421 -15.839 -9.708 1.00 50.12 C ATOM 1507 ND1 HIS A 94 11.885 -16.227 -10.917 1.00 25.51 N ATOM 1508 CD2 HIS A 94 13.324 -16.792 -9.377 1.00 75.04 C ATOM 1509 CE1 HIS A 94 12.436 -17.365 -11.296 1.00 65.44 C ATOM 1510 NE2 HIS A 94 13.314 -17.729 -10.379 1.00 14.24 N ATOM 0 H HIS A 94 10.868 -12.822 -7.205 1.00 3.43 H new ATOM 0 HA HIS A 94 10.095 -15.382 -8.481 1.00 54.52 H new ATOM 0 HB2 HIS A 94 11.738 -13.832 -9.754 1.00 22.51 H new ATOM 0 HB3 HIS A 94 12.877 -14.180 -8.469 1.00 22.51 H new ATOM 0 HD1 HIS A 94 11.173 -15.715 -11.438 1.00 25.51 H new ATOM 0 HD2 HIS A 94 13.938 -16.811 -8.489 1.00 75.04 H new ATOM 0 HE1 HIS A 94 12.208 -17.907 -12.202 1.00 65.44 H new ATOM 1519 N HIS A 95 10.412 -15.593 -5.791 1.00 54.53 N ATOM 1520 CA HIS A 95 10.695 -16.383 -4.598 1.00 44.02 C ATOM 1521 C HIS A 95 11.024 -17.820 -4.993 1.00 72.22 C ATOM 1522 O HIS A 95 10.537 -18.317 -6.012 1.00 22.22 O ATOM 1523 CB HIS A 95 9.519 -16.343 -3.602 1.00 45.34 C ATOM 1524 CG HIS A 95 8.182 -16.772 -4.154 1.00 10.20 C ATOM 1525 ND1 HIS A 95 8.029 -17.591 -5.255 1.00 20.01 N ATOM 1526 CD2 HIS A 95 6.925 -16.489 -3.732 1.00 55.24 C ATOM 1527 CE1 HIS A 95 6.745 -17.790 -5.485 1.00 5.54 C ATOM 1528 NE2 HIS A 95 6.055 -17.134 -4.575 1.00 72.12 N ATOM 0 H HIS A 95 9.474 -15.194 -5.823 1.00 54.53 H new ATOM 0 HA HIS A 95 11.559 -15.947 -4.096 1.00 44.02 H new ATOM 0 HB2 HIS A 95 9.763 -16.982 -2.753 1.00 45.34 H new ATOM 0 HB3 HIS A 95 9.425 -15.327 -3.219 1.00 45.34 H new ATOM 0 HD1 HIS A 95 8.792 -17.983 -5.807 1.00 20.01 H new ATOM 0 HD2 HIS A 95 6.658 -15.870 -2.888 1.00 55.24 H new ATOM 0 HE1 HIS A 95 6.331 -18.388 -6.283 1.00 5.54 H new ATOM 1537 N HIS A 96 11.838 -18.490 -4.198 1.00 55.53 N ATOM 1538 CA HIS A 96 12.289 -19.826 -4.555 1.00 65.22 C ATOM 1539 C HIS A 96 11.880 -20.848 -3.502 1.00 12.14 C ATOM 1540 O HIS A 96 12.085 -20.647 -2.304 1.00 64.53 O ATOM 1541 CB HIS A 96 13.810 -19.859 -4.788 1.00 13.32 C ATOM 1542 CG HIS A 96 14.648 -19.592 -3.571 1.00 5.25 C ATOM 1543 ND1 HIS A 96 15.452 -20.551 -2.998 1.00 34.25 N ATOM 1544 CD2 HIS A 96 14.823 -18.470 -2.836 1.00 13.14 C ATOM 1545 CE1 HIS A 96 16.081 -20.034 -1.961 1.00 74.01 C ATOM 1546 NE2 HIS A 96 15.719 -18.773 -1.841 1.00 24.33 N ATOM 0 H HIS A 96 12.198 -18.138 -3.311 1.00 55.53 H new ATOM 0 HA HIS A 96 11.800 -20.096 -5.491 1.00 65.22 H new ATOM 0 HB2 HIS A 96 14.079 -20.837 -5.188 1.00 13.32 H new ATOM 0 HB3 HIS A 96 14.061 -19.122 -5.551 1.00 13.32 H new ATOM 0 HD2 HIS A 96 14.347 -17.515 -3.001 1.00 13.14 H new ATOM 0 HE1 HIS A 96 16.775 -20.556 -1.319 1.00 74.01 H new ATOM 0 HE2 HIS A 96 16.051 -18.127 -1.125 1.00 24.33 H new ATOM 1555 N HIS A 97 11.275 -21.931 -3.961 1.00 13.33 N ATOM 1556 CA HIS A 97 10.864 -23.021 -3.086 1.00 4.23 C ATOM 1557 C HIS A 97 11.732 -24.242 -3.333 1.00 62.31 C ATOM 1558 O HIS A 97 12.003 -24.594 -4.484 1.00 75.11 O ATOM 1559 CB HIS A 97 9.392 -23.376 -3.312 1.00 41.44 C ATOM 1560 CG HIS A 97 8.431 -22.384 -2.731 1.00 54.12 C ATOM 1561 ND1 HIS A 97 7.361 -22.743 -1.943 1.00 63.44 N ATOM 1562 CD2 HIS A 97 8.385 -21.033 -2.824 1.00 71.31 C ATOM 1563 CE1 HIS A 97 6.703 -21.661 -1.575 1.00 54.42 C ATOM 1564 NE2 HIS A 97 7.303 -20.606 -2.095 1.00 23.41 N ATOM 0 H HIS A 97 11.055 -22.081 -4.946 1.00 13.33 H new ATOM 0 HA HIS A 97 10.986 -22.695 -2.053 1.00 4.23 H new ATOM 0 HB2 HIS A 97 9.209 -23.459 -4.383 1.00 41.44 H new ATOM 0 HB3 HIS A 97 9.194 -24.356 -2.878 1.00 41.44 H new ATOM 0 HD2 HIS A 97 9.074 -20.407 -3.372 1.00 71.31 H new ATOM 0 HE1 HIS A 97 5.821 -21.641 -0.952 1.00 54.42 H new ATOM 0 HE2 HIS A 97 7.011 -19.636 -1.975 1.00 23.41 H new ATOM 1573 N HIS A 98 12.167 -24.881 -2.261 1.00 5.21 N ATOM 1574 CA HIS A 98 13.023 -26.053 -2.362 1.00 40.40 C ATOM 1575 C HIS A 98 12.688 -27.036 -1.252 1.00 44.24 C ATOM 1576 O HIS A 98 13.075 -26.845 -0.098 1.00 52.12 O ATOM 1577 CB HIS A 98 14.503 -25.642 -2.296 1.00 5.45 C ATOM 1578 CG HIS A 98 15.467 -26.781 -2.465 1.00 21.25 C ATOM 1579 ND1 HIS A 98 16.022 -27.124 -3.677 1.00 1.51 N ATOM 1580 CD2 HIS A 98 15.984 -27.647 -1.561 1.00 4.13 C ATOM 1581 CE1 HIS A 98 16.835 -28.152 -3.513 1.00 42.10 C ATOM 1582 NE2 HIS A 98 16.832 -28.488 -2.236 1.00 45.11 N ATOM 0 H HIS A 98 11.941 -24.607 -1.305 1.00 5.21 H new ATOM 0 HA HIS A 98 12.848 -26.539 -3.322 1.00 40.40 H new ATOM 0 HB2 HIS A 98 14.697 -24.899 -3.070 1.00 5.45 H new ATOM 0 HB3 HIS A 98 14.692 -25.160 -1.337 1.00 5.45 H new ATOM 0 HD2 HIS A 98 15.768 -27.671 -0.503 1.00 4.13 H new ATOM 0 HE1 HIS A 98 17.406 -28.636 -4.292 1.00 42.10 H new ATOM 0 HE2 HIS A 98 17.371 -29.247 -1.820 1.00 45.11 H new ATOM 1591 N HIS A 99 11.949 -28.073 -1.598 1.00 74.32 N ATOM 1592 CA HIS A 99 11.558 -29.087 -0.630 1.00 12.02 C ATOM 1593 C HIS A 99 11.887 -30.477 -1.164 1.00 61.33 C ATOM 1594 O HIS A 99 12.065 -30.655 -2.372 1.00 33.52 O ATOM 1595 CB HIS A 99 10.060 -28.979 -0.325 1.00 61.42 C ATOM 1596 CG HIS A 99 9.616 -29.822 0.829 1.00 71.11 C ATOM 1597 ND1 HIS A 99 9.004 -31.044 0.678 1.00 14.24 N ATOM 1598 CD2 HIS A 99 9.702 -29.608 2.164 1.00 63.32 C ATOM 1599 CE1 HIS A 99 8.733 -31.548 1.865 1.00 11.32 C ATOM 1600 NE2 HIS A 99 9.146 -30.696 2.786 1.00 60.41 N ATOM 0 H HIS A 99 11.605 -28.238 -2.544 1.00 74.32 H new ATOM 0 HA HIS A 99 12.115 -28.924 0.293 1.00 12.02 H new ATOM 0 HB2 HIS A 99 9.815 -27.937 -0.117 1.00 61.42 H new ATOM 0 HB3 HIS A 99 9.496 -29.268 -1.212 1.00 61.42 H new ATOM 0 HD2 HIS A 99 10.129 -28.742 2.648 1.00 63.32 H new ATOM 0 HE1 HIS A 99 8.254 -32.498 2.053 1.00 11.32 H new ATOM 0 HE2 HIS A 99 9.065 -30.826 3.794 1.00 60.41 H new TER 1609 HIS A 99