USER MOD reduce.3.24.130724 H: found=0, std=0, add=672, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 670 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 15 ASN : amide:sc= -1.74 K(o=-1.7,f=-8!) USER MOD Set 1.2: A 84 ASN : amide:sc= 0.0651 K(o=-1.7,f=-4.1!) USER MOD Set 2.1: A 52 SER OG : rot -120:sc= 0.527 USER MOD Set 2.2: A 75 TYR OH : rot 130:sc= 0.393 USER MOD Set 3.1: A 64 LYS NZ :NH3+ -142:sc= 0.421 (180deg=-2.07!) USER MOD Set 3.2: A 65 ASN : amide:sc= 0.414 K(o=1.5,f=-11!) USER MOD Set 3.3: A 67 TYR OH : rot 102:sc= 0.635 USER MOD Single : A 17 HIS : no HD1:sc= -0.431 X(o=-0.43,f=-0.14) USER MOD Single : A 21 TYR OH : rot -165:sc= -0.848 USER MOD Single : A 22 GLN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 23 GLN : amide:sc= -0.972 K(o=-0.97,f=-0.008) USER MOD Single : A 30 GLN : amide:sc= 0.432 K(o=0.43,f=-4.5!) USER MOD Single : A 33 ASN : amide:sc= 0.0426 X(o=0.043,f=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -0.732 K(o=-0.73,f=-4.2!) USER MOD Single : A 38 GLN : amide:sc= 0.0328 K(o=0.033,f=-7.2!) USER MOD Single : A 40 HIS : no HE2:sc= -2.16! C(o=-2.2!,f=-7.7!) USER MOD Single : A 43 SER OG : rot 14:sc= 1.5 USER MOD Single : A 44 ASN : amide:sc= -0.294 K(o=-0.29,f=-8.1!) USER MOD Single : A 47 GLN : amide:sc= -0.365 K(o=-0.36,f=-1.2) USER MOD Single : A 56 MET CE :methyl 139:sc= -0.497 (180deg=-1.49!) USER MOD Single : A 60 HIS : no HD1:sc= -0.0176 X(o=-0.018,f=0) USER MOD Single : A 70 THR OG1 : rot -62:sc= 1.59 USER MOD Single : A 79 THR OG1 : rot 38:sc= 0.00479 USER MOD Single : A 85 GLN : amide:sc= -0.819! K(o=-0.82!,f=0.26) USER MOD Single : A 87 MET CE :methyl -173:sc= -1.79 (180deg=-1.98) USER MOD Single : A 89 SER OG : rot 150:sc= 0.447 USER MOD Single : A 91 SER OG : rot -3:sc= 1.2 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 14 -2.735 -1.703 -2.388 1.00 41.40 N ATOM 2 CA ASP A 14 -1.588 -1.325 -3.230 1.00 24.24 C ATOM 3 C ASP A 14 -1.956 -0.024 -3.897 1.00 2.13 C ATOM 4 O ASP A 14 -2.905 0.610 -3.454 1.00 50.53 O ATOM 5 CB ASP A 14 -1.384 -2.394 -4.300 1.00 3.23 C ATOM 6 CG ASP A 14 -2.571 -2.454 -5.225 1.00 34.11 C ATOM 7 OD1 ASP A 14 -2.403 -2.182 -6.430 1.00 35.22 O ATOM 8 OD2 ASP A 14 -3.696 -2.692 -4.721 1.00 1.24 O1- ATOM 0 HA ASP A 14 -0.675 -1.228 -2.643 1.00 24.24 H new ATOM 0 HB2 ASP A 14 -0.482 -2.176 -4.872 1.00 3.23 H new ATOM 0 HB3 ASP A 14 -1.235 -3.365 -3.828 1.00 3.23 H new ATOM 13 N ASN A 15 -1.209 0.390 -4.920 1.00 12.50 N ATOM 14 CA ASN A 15 -1.527 1.598 -5.674 1.00 34.24 C ATOM 15 C ASN A 15 -0.673 1.665 -6.921 1.00 72.02 C ATOM 16 O ASN A 15 0.525 1.871 -6.829 1.00 43.54 O ATOM 17 CB ASN A 15 -1.308 2.887 -4.828 1.00 22.30 C ATOM 18 CG ASN A 15 -1.785 4.180 -5.525 1.00 73.33 C ATOM 19 OD1 ASN A 15 -1.781 4.302 -6.747 1.00 65.23 O ATOM 20 ND2 ASN A 15 -2.213 5.143 -4.745 1.00 62.10 N ATOM 0 H ASN A 15 -0.375 -0.098 -5.246 1.00 12.50 H new ATOM 0 HA ASN A 15 -2.582 1.548 -5.943 1.00 34.24 H new ATOM 0 HB2 ASN A 15 -1.835 2.781 -3.880 1.00 22.30 H new ATOM 0 HB3 ASN A 15 -0.247 2.981 -4.595 1.00 22.30 H new ATOM 0 HD21 ASN A 15 -2.552 6.015 -5.151 1.00 62.10 H new ATOM 0 HD22 ASN A 15 -2.207 5.020 -3.732 1.00 62.10 H new ATOM 27 N ARG A 16 -1.261 1.386 -8.073 1.00 53.14 N ATOM 28 CA ARG A 16 -0.568 1.669 -9.303 1.00 63.20 C ATOM 29 C ARG A 16 -1.218 2.828 -10.085 1.00 74.01 C ATOM 30 O ARG A 16 -0.660 3.906 -10.167 1.00 45.35 O ATOM 31 CB ARG A 16 -0.177 0.442 -10.183 1.00 2.52 C ATOM 32 CG ARG A 16 -1.290 -0.392 -10.745 1.00 33.10 C ATOM 33 CD ARG A 16 -1.880 -1.374 -9.749 1.00 31.25 C ATOM 34 NE ARG A 16 -2.914 -2.223 -10.391 1.00 53.45 N ATOM 35 CZ ARG A 16 -3.820 -3.002 -9.763 1.00 23.42 C ATOM 36 NH1 ARG A 16 -3.827 -3.114 -8.438 1.00 53.42 N1+ ATOM 37 NH2 ARG A 16 -4.690 -3.709 -10.477 1.00 32.20 N ATOM 0 H ARG A 16 -2.189 0.976 -8.175 1.00 53.14 H new ATOM 0 HA ARG A 16 0.412 2.017 -8.977 1.00 63.20 H new ATOM 0 HB2 ARG A 16 0.425 0.804 -11.016 1.00 2.52 H new ATOM 0 HB3 ARG A 16 0.463 -0.209 -9.587 1.00 2.52 H new ATOM 0 HG2 ARG A 16 -2.081 0.267 -11.104 1.00 33.10 H new ATOM 0 HG3 ARG A 16 -0.918 -0.943 -11.609 1.00 33.10 H new ATOM 0 HD2 ARG A 16 -1.089 -2.003 -9.341 1.00 31.25 H new ATOM 0 HD3 ARG A 16 -2.318 -0.830 -8.912 1.00 31.25 H new ATOM 0 HE ARG A 16 -2.943 -2.217 -11.411 1.00 53.45 H new ATOM 0 HH11 ARG A 16 -3.140 -2.607 -7.880 1.00 53.42 H new ATOM 0 HH12 ARG A 16 -4.519 -3.707 -7.980 1.00 53.42 H new ATOM 0 HH21 ARG A 16 -4.671 -3.662 -11.496 1.00 32.20 H new ATOM 0 HH22 ARG A 16 -5.376 -4.299 -10.006 1.00 32.20 H new ATOM 51 N HIS A 17 -2.414 2.616 -10.629 1.00 54.32 N ATOM 52 CA HIS A 17 -3.115 3.671 -11.378 1.00 23.51 C ATOM 53 C HIS A 17 -3.792 4.695 -10.472 1.00 1.24 C ATOM 54 O HIS A 17 -4.066 5.825 -10.885 1.00 24.35 O ATOM 55 CB HIS A 17 -4.102 3.104 -12.393 1.00 24.42 C ATOM 56 CG HIS A 17 -3.461 2.486 -13.599 1.00 44.44 C ATOM 57 ND1 HIS A 17 -3.478 3.061 -14.851 1.00 70.34 N ATOM 58 CD2 HIS A 17 -2.786 1.320 -13.736 1.00 54.02 C ATOM 59 CE1 HIS A 17 -2.828 2.245 -15.688 1.00 52.42 C ATOM 60 NE2 HIS A 17 -2.388 1.176 -15.057 1.00 73.31 N ATOM 0 H HIS A 17 -2.920 1.732 -10.569 1.00 54.32 H new ATOM 0 HA HIS A 17 -2.338 4.199 -11.931 1.00 23.51 H new ATOM 0 HB2 HIS A 17 -4.721 2.354 -11.900 1.00 24.42 H new ATOM 0 HB3 HIS A 17 -4.768 3.903 -12.719 1.00 24.42 H new ATOM 0 HD2 HIS A 17 -2.589 0.614 -12.943 1.00 54.02 H new ATOM 0 HE1 HIS A 17 -2.683 2.437 -16.741 1.00 52.42 H new ATOM 0 HE2 HIS A 17 -1.862 0.400 -15.458 1.00 73.31 H new ATOM 68 N ALA A 18 -4.040 4.299 -9.235 1.00 45.21 N ATOM 69 CA ALA A 18 -4.746 5.119 -8.240 1.00 35.50 C ATOM 70 C ALA A 18 -4.076 6.467 -7.967 1.00 2.33 C ATOM 71 O ALA A 18 -4.644 7.314 -7.304 1.00 33.14 O ATOM 72 CB ALA A 18 -5.034 4.363 -6.977 1.00 33.35 C ATOM 0 H ALA A 18 -3.756 3.386 -8.879 1.00 45.21 H new ATOM 0 HA ALA A 18 -5.707 5.358 -8.695 1.00 35.50 H new ATOM 0 HB1 ALA A 18 -5.556 5.013 -6.275 1.00 33.35 H new ATOM 0 HB2 ALA A 18 -5.658 3.499 -7.205 1.00 33.35 H new ATOM 0 HB3 ALA A 18 -4.097 4.027 -6.532 1.00 33.35 H new ATOM 78 N ALA A 19 -2.826 6.611 -8.386 1.00 24.04 N ATOM 79 CA ALA A 19 -2.112 7.891 -8.342 1.00 30.43 C ATOM 80 C ALA A 19 -2.975 9.044 -8.947 1.00 2.11 C ATOM 81 O ALA A 19 -2.877 10.190 -8.515 1.00 51.32 O ATOM 82 CB ALA A 19 -0.788 7.766 -9.083 1.00 53.33 C ATOM 0 H ALA A 19 -2.272 5.844 -8.768 1.00 24.04 H new ATOM 0 HA ALA A 19 -1.916 8.141 -7.299 1.00 30.43 H new ATOM 0 HB1 ALA A 19 -0.260 8.719 -9.048 1.00 53.33 H new ATOM 0 HB2 ALA A 19 -0.178 6.996 -8.611 1.00 53.33 H new ATOM 0 HB3 ALA A 19 -0.977 7.493 -10.121 1.00 53.33 H new ATOM 88 N ASP A 20 -3.845 8.708 -9.920 1.00 41.23 N ATOM 89 CA ASP A 20 -4.799 9.688 -10.505 1.00 71.33 C ATOM 90 C ASP A 20 -5.750 10.143 -9.399 1.00 22.03 C ATOM 91 O ASP A 20 -5.975 11.332 -9.194 1.00 60.31 O ATOM 92 CB ASP A 20 -5.609 9.035 -11.650 1.00 1.11 C ATOM 93 CG ASP A 20 -6.529 9.999 -12.429 1.00 24.11 C ATOM 94 OD1 ASP A 20 -6.040 10.772 -13.281 1.00 50.43 O ATOM 95 OD2 ASP A 20 -7.761 9.929 -12.275 1.00 22.34 O1- ATOM 0 H ASP A 20 -3.912 7.772 -10.320 1.00 41.23 H new ATOM 0 HA ASP A 20 -4.252 10.537 -10.914 1.00 71.33 H new ATOM 0 HB2 ASP A 20 -4.913 8.575 -12.351 1.00 1.11 H new ATOM 0 HB3 ASP A 20 -6.218 8.233 -11.233 1.00 1.11 H new ATOM 100 N TYR A 21 -6.209 9.171 -8.613 1.00 5.43 N ATOM 101 CA TYR A 21 -7.121 9.392 -7.492 1.00 75.25 C ATOM 102 C TYR A 21 -6.430 10.198 -6.385 1.00 15.23 C ATOM 103 O TYR A 21 -7.089 10.859 -5.571 1.00 73.52 O ATOM 104 CB TYR A 21 -7.634 8.044 -6.932 1.00 65.15 C ATOM 105 CG TYR A 21 -8.624 8.182 -5.803 1.00 2.43 C ATOM 106 CD1 TYR A 21 -8.224 8.069 -4.491 1.00 72.35 C ATOM 107 CD2 TYR A 21 -9.947 8.472 -6.051 1.00 14.30 C ATOM 108 CE1 TYR A 21 -9.112 8.249 -3.465 1.00 51.51 C ATOM 109 CE2 TYR A 21 -10.846 8.641 -5.018 1.00 51.42 C ATOM 110 CZ TYR A 21 -10.410 8.532 -3.724 1.00 1.22 C ATOM 111 OH TYR A 21 -11.273 8.755 -2.675 1.00 1.52 O ATOM 0 H TYR A 21 -5.954 8.192 -8.739 1.00 5.43 H new ATOM 0 HA TYR A 21 -7.975 9.963 -7.856 1.00 75.25 H new ATOM 0 HB2 TYR A 21 -8.098 7.480 -7.741 1.00 65.15 H new ATOM 0 HB3 TYR A 21 -6.782 7.460 -6.584 1.00 65.15 H new ATOM 0 HD1 TYR A 21 -7.194 7.835 -4.268 1.00 72.35 H new ATOM 0 HD2 TYR A 21 -10.287 8.569 -7.072 1.00 14.30 H new ATOM 0 HE1 TYR A 21 -8.775 8.165 -2.442 1.00 51.51 H new ATOM 0 HE2 TYR A 21 -11.883 8.857 -5.228 1.00 51.42 H new ATOM 0 HH TYR A 21 -12.198 8.707 -2.996 1.00 1.52 H new ATOM 121 N GLN A 22 -5.110 10.159 -6.354 1.00 62.31 N ATOM 122 CA GLN A 22 -4.358 10.942 -5.395 1.00 2.52 C ATOM 123 C GLN A 22 -4.567 12.426 -5.692 1.00 13.22 C ATOM 124 O GLN A 22 -4.678 13.247 -4.777 1.00 42.24 O ATOM 125 CB GLN A 22 -2.873 10.565 -5.402 1.00 44.02 C ATOM 126 CG GLN A 22 -2.023 11.352 -4.411 1.00 2.15 C ATOM 127 CD GLN A 22 -0.571 10.922 -4.417 1.00 21.51 C ATOM 128 OE1 GLN A 22 -0.051 10.471 -5.416 1.00 52.52 O ATOM 129 NE2 GLN A 22 0.092 11.071 -3.298 1.00 10.11 N ATOM 0 H GLN A 22 -4.539 9.594 -6.982 1.00 62.31 H new ATOM 0 HA GLN A 22 -4.723 10.727 -4.391 1.00 2.52 H new ATOM 0 HB2 GLN A 22 -2.779 9.502 -5.180 1.00 44.02 H new ATOM 0 HB3 GLN A 22 -2.476 10.718 -6.405 1.00 44.02 H new ATOM 0 HG2 GLN A 22 -2.084 12.414 -4.649 1.00 2.15 H new ATOM 0 HG3 GLN A 22 -2.431 11.226 -3.408 1.00 2.15 H new ATOM 0 HE21 GLN A 22 -0.375 11.453 -2.476 1.00 10.11 H new ATOM 0 HE22 GLN A 22 1.075 10.805 -3.249 1.00 10.11 H new ATOM 138 N GLN A 23 -4.707 12.744 -6.972 1.00 0.51 N ATOM 139 CA GLN A 23 -4.999 14.100 -7.399 1.00 5.41 C ATOM 140 C GLN A 23 -6.452 14.441 -7.079 1.00 21.11 C ATOM 141 O GLN A 23 -6.809 15.606 -6.919 1.00 61.21 O ATOM 142 CB GLN A 23 -4.715 14.294 -8.884 1.00 74.50 C ATOM 143 CG GLN A 23 -3.259 14.067 -9.267 1.00 35.24 C ATOM 144 CD GLN A 23 -2.987 14.314 -10.742 1.00 75.32 C ATOM 145 OE1 GLN A 23 -2.114 13.704 -11.330 1.00 21.44 O ATOM 146 NE2 GLN A 23 -3.716 15.227 -11.341 1.00 45.01 N ATOM 0 H GLN A 23 -4.622 12.073 -7.736 1.00 0.51 H new ATOM 0 HA GLN A 23 -4.343 14.778 -6.853 1.00 5.41 H new ATOM 0 HB2 GLN A 23 -5.342 13.611 -9.456 1.00 74.50 H new ATOM 0 HB3 GLN A 23 -5.003 15.306 -9.170 1.00 74.50 H new ATOM 0 HG2 GLN A 23 -2.626 14.725 -8.671 1.00 35.24 H new ATOM 0 HG3 GLN A 23 -2.979 13.043 -9.018 1.00 35.24 H new ATOM 0 HE21 GLN A 23 -4.441 15.722 -10.822 1.00 45.01 H new ATOM 0 HE22 GLN A 23 -3.557 15.441 -12.326 1.00 45.01 H new ATOM 155 N LEU A 24 -7.292 13.410 -6.962 1.00 74.14 N ATOM 156 CA LEU A 24 -8.662 13.611 -6.528 1.00 22.44 C ATOM 157 C LEU A 24 -8.678 14.102 -5.070 1.00 13.34 C ATOM 158 O LEU A 24 -9.571 14.823 -4.687 1.00 75.01 O ATOM 159 CB LEU A 24 -9.611 12.356 -6.833 1.00 21.44 C ATOM 160 CG LEU A 24 -11.056 12.357 -6.290 1.00 63.34 C ATOM 161 CD1 LEU A 24 -11.860 11.321 -7.023 1.00 73.41 C ATOM 162 CD2 LEU A 24 -11.107 12.023 -4.815 1.00 41.45 C ATOM 0 H LEU A 24 -7.045 12.441 -7.161 1.00 74.14 H new ATOM 0 HA LEU A 24 -9.110 14.402 -7.130 1.00 22.44 H new ATOM 0 HB2 LEU A 24 -9.667 12.242 -7.916 1.00 21.44 H new ATOM 0 HB3 LEU A 24 -9.115 11.467 -6.444 1.00 21.44 H new ATOM 0 HG LEU A 24 -11.460 13.359 -6.439 1.00 63.34 H new ATOM 0 HD11 LEU A 24 -12.882 11.318 -6.643 1.00 73.41 H new ATOM 0 HD12 LEU A 24 -11.869 11.554 -8.088 1.00 73.41 H new ATOM 0 HD13 LEU A 24 -11.413 10.339 -6.871 1.00 73.41 H new ATOM 0 HD21 LEU A 24 -12.142 12.035 -4.475 1.00 41.45 H new ATOM 0 HD22 LEU A 24 -10.683 11.032 -4.651 1.00 41.45 H new ATOM 0 HD23 LEU A 24 -10.533 12.761 -4.255 1.00 41.45 H new ATOM 174 N ARG A 25 -7.633 13.758 -4.277 1.00 30.01 N ATOM 175 CA ARG A 25 -7.531 14.285 -2.894 1.00 24.24 C ATOM 176 C ARG A 25 -7.350 15.769 -2.894 1.00 14.23 C ATOM 177 O ARG A 25 -7.997 16.446 -2.137 1.00 4.15 O ATOM 178 CB ARG A 25 -6.414 13.659 -2.036 1.00 13.25 C ATOM 179 CG ARG A 25 -6.783 12.374 -1.333 1.00 21.43 C ATOM 180 CD ARG A 25 -6.985 11.251 -2.310 1.00 14.01 C ATOM 181 NE ARG A 25 -7.445 10.012 -1.676 1.00 73.34 N ATOM 182 CZ ARG A 25 -6.682 9.094 -1.028 1.00 1.22 C ATOM 183 NH1 ARG A 25 -5.442 9.365 -0.647 1.00 73.24 N1+ ATOM 184 NH2 ARG A 25 -7.194 7.917 -0.735 1.00 23.21 N ATOM 0 H ARG A 25 -6.873 13.139 -4.559 1.00 30.01 H new ATOM 0 HA ARG A 25 -8.479 14.003 -2.436 1.00 24.24 H new ATOM 0 HB2 ARG A 25 -5.551 13.470 -2.674 1.00 13.25 H new ATOM 0 HB3 ARG A 25 -6.103 14.387 -1.287 1.00 13.25 H new ATOM 0 HG2 ARG A 25 -5.998 12.106 -0.626 1.00 21.43 H new ATOM 0 HG3 ARG A 25 -7.695 12.523 -0.755 1.00 21.43 H new ATOM 0 HD2 ARG A 25 -7.711 11.558 -3.062 1.00 14.01 H new ATOM 0 HD3 ARG A 25 -6.048 11.059 -2.832 1.00 14.01 H new ATOM 0 HE ARG A 25 -8.445 9.819 -1.727 1.00 73.34 H new ATOM 0 HH11 ARG A 25 -5.038 10.282 -0.839 1.00 73.24 H new ATOM 0 HH12 ARG A 25 -4.891 8.657 -0.162 1.00 73.24 H new ATOM 0 HH21 ARG A 25 -8.156 7.701 -0.995 1.00 23.21 H new ATOM 0 HH22 ARG A 25 -6.628 7.222 -0.249 1.00 23.21 H new ATOM 198 N GLU A 26 -6.473 16.254 -3.766 1.00 65.14 N ATOM 199 CA GLU A 26 -6.185 17.674 -3.907 1.00 71.11 C ATOM 200 C GLU A 26 -7.505 18.429 -4.116 1.00 22.23 C ATOM 201 O GLU A 26 -7.841 19.363 -3.373 1.00 32.24 O ATOM 202 CB GLU A 26 -5.199 17.823 -5.095 1.00 62.14 C ATOM 203 CG GLU A 26 -4.683 19.221 -5.418 1.00 12.14 C ATOM 204 CD GLU A 26 -5.719 20.113 -6.060 1.00 12.14 C ATOM 205 OE1 GLU A 26 -6.252 19.743 -7.126 1.00 13.23 O ATOM 206 OE2 GLU A 26 -6.031 21.183 -5.507 1.00 22.13 O1- ATOM 0 H GLU A 26 -5.936 15.664 -4.402 1.00 65.14 H new ATOM 0 HA GLU A 26 -5.719 18.101 -3.019 1.00 71.11 H new ATOM 0 HB2 GLU A 26 -4.338 17.185 -4.898 1.00 62.14 H new ATOM 0 HB3 GLU A 26 -5.688 17.432 -5.987 1.00 62.14 H new ATOM 0 HG2 GLU A 26 -4.330 19.690 -4.500 1.00 12.14 H new ATOM 0 HG3 GLU A 26 -3.824 19.138 -6.084 1.00 12.14 H new ATOM 213 N ARG A 27 -8.277 17.951 -5.067 1.00 51.45 N ATOM 214 CA ARG A 27 -9.568 18.519 -5.352 1.00 73.52 C ATOM 215 C ARG A 27 -10.541 18.324 -4.179 1.00 30.22 C ATOM 216 O ARG A 27 -11.230 19.253 -3.792 1.00 33.33 O ATOM 217 CB ARG A 27 -10.152 17.921 -6.634 1.00 34.14 C ATOM 218 CG ARG A 27 -9.410 18.255 -7.940 1.00 55.54 C ATOM 219 CD ARG A 27 -9.497 19.744 -8.307 1.00 21.55 C ATOM 220 NE ARG A 27 -8.714 20.592 -7.416 1.00 62.22 N ATOM 221 CZ ARG A 27 -9.112 21.727 -6.837 1.00 61.34 C ATOM 222 NH1 ARG A 27 -10.344 22.211 -7.051 1.00 2.31 N1+ ATOM 223 NH2 ARG A 27 -8.287 22.365 -6.035 1.00 2.53 N ATOM 0 H ARG A 27 -8.025 17.160 -5.660 1.00 51.45 H new ATOM 0 HA ARG A 27 -9.430 19.590 -5.497 1.00 73.52 H new ATOM 0 HB2 ARG A 27 -10.181 16.837 -6.524 1.00 34.14 H new ATOM 0 HB3 ARG A 27 -11.184 18.259 -6.730 1.00 34.14 H new ATOM 0 HG2 ARG A 27 -8.363 17.970 -7.841 1.00 55.54 H new ATOM 0 HG3 ARG A 27 -9.827 17.660 -8.752 1.00 55.54 H new ATOM 0 HD2 ARG A 27 -9.150 19.882 -9.331 1.00 21.55 H new ATOM 0 HD3 ARG A 27 -10.540 20.060 -8.279 1.00 21.55 H new ATOM 0 HE ARG A 27 -7.762 20.286 -7.214 1.00 62.22 H new ATOM 0 HH11 ARG A 27 -10.989 21.711 -7.662 1.00 2.31 H new ATOM 0 HH12 ARG A 27 -10.636 23.079 -6.602 1.00 2.31 H new ATOM 0 HH21 ARG A 27 -7.354 21.991 -5.861 1.00 2.53 H new ATOM 0 HH22 ARG A 27 -8.580 23.233 -5.587 1.00 2.53 H new ATOM 237 N LEU A 28 -10.557 17.122 -3.603 1.00 54.40 N ATOM 238 CA LEU A 28 -11.468 16.763 -2.513 1.00 43.21 C ATOM 239 C LEU A 28 -11.229 17.622 -1.258 1.00 50.30 C ATOM 240 O LEU A 28 -12.179 17.992 -0.558 1.00 73.50 O ATOM 241 CB LEU A 28 -11.336 15.267 -2.168 1.00 73.23 C ATOM 242 CG LEU A 28 -12.657 14.503 -1.990 1.00 31.34 C ATOM 243 CD1 LEU A 28 -12.398 13.049 -1.705 1.00 43.41 C ATOM 244 CD2 LEU A 28 -13.511 15.098 -0.891 1.00 44.41 C ATOM 0 H LEU A 28 -9.934 16.364 -3.881 1.00 54.40 H new ATOM 0 HA LEU A 28 -12.482 16.960 -2.860 1.00 43.21 H new ATOM 0 HB2 LEU A 28 -10.760 14.781 -2.956 1.00 73.23 H new ATOM 0 HB3 LEU A 28 -10.758 15.175 -1.248 1.00 73.23 H new ATOM 0 HG LEU A 28 -13.206 14.592 -2.928 1.00 31.34 H new ATOM 0 HD11 LEU A 28 -13.347 12.528 -1.583 1.00 43.41 H new ATOM 0 HD12 LEU A 28 -11.846 12.608 -2.535 1.00 43.41 H new ATOM 0 HD13 LEU A 28 -11.812 12.956 -0.790 1.00 43.41 H new ATOM 0 HD21 LEU A 28 -14.435 14.527 -0.799 1.00 44.41 H new ATOM 0 HD22 LEU A 28 -12.967 15.062 0.053 1.00 44.41 H new ATOM 0 HD23 LEU A 28 -13.747 16.134 -1.134 1.00 44.41 H new ATOM 256 N ILE A 29 -9.982 17.944 -0.988 1.00 63.10 N ATOM 257 CA ILE A 29 -9.637 18.764 0.163 1.00 54.25 C ATOM 258 C ILE A 29 -10.224 20.171 0.008 1.00 50.45 C ATOM 259 O ILE A 29 -10.654 20.783 0.974 1.00 44.21 O ATOM 260 CB ILE A 29 -8.087 18.782 0.415 1.00 33.41 C ATOM 261 CG1 ILE A 29 -7.630 17.353 0.729 1.00 40.43 C ATOM 262 CG2 ILE A 29 -7.711 19.719 1.565 1.00 61.15 C ATOM 263 CD1 ILE A 29 -6.139 17.162 0.916 1.00 34.12 C ATOM 0 H ILE A 29 -9.184 17.651 -1.551 1.00 63.10 H new ATOM 0 HA ILE A 29 -10.083 18.319 1.053 1.00 54.25 H new ATOM 0 HB ILE A 29 -7.589 19.155 -0.480 1.00 33.41 H new ATOM 0 HG12 ILE A 29 -8.136 17.021 1.636 1.00 40.43 H new ATOM 0 HG13 ILE A 29 -7.962 16.700 -0.078 1.00 40.43 H new ATOM 0 HG21 ILE A 29 -6.631 19.704 1.708 1.00 61.15 H new ATOM 0 HG22 ILE A 29 -8.031 20.733 1.327 1.00 61.15 H new ATOM 0 HG23 ILE A 29 -8.203 19.388 2.480 1.00 61.15 H new ATOM 0 HD11 ILE A 29 -5.931 16.114 1.133 1.00 34.12 H new ATOM 0 HD12 ILE A 29 -5.618 17.454 0.004 1.00 34.12 H new ATOM 0 HD13 ILE A 29 -5.794 17.780 1.745 1.00 34.12 H new ATOM 275 N GLN A 30 -10.305 20.642 -1.219 1.00 43.31 N ATOM 276 CA GLN A 30 -10.910 21.935 -1.482 1.00 4.31 C ATOM 277 C GLN A 30 -12.445 21.791 -1.591 1.00 73.45 C ATOM 278 O GLN A 30 -13.182 22.687 -1.211 1.00 41.42 O ATOM 279 CB GLN A 30 -10.321 22.553 -2.756 1.00 21.31 C ATOM 280 CG GLN A 30 -10.835 23.952 -3.070 1.00 5.15 C ATOM 281 CD GLN A 30 -10.189 24.546 -4.301 1.00 72.32 C ATOM 282 OE1 GLN A 30 -10.672 24.382 -5.416 1.00 73.31 O ATOM 283 NE2 GLN A 30 -9.079 25.215 -4.121 1.00 54.42 N ATOM 0 H GLN A 30 -9.962 20.154 -2.047 1.00 43.31 H new ATOM 0 HA GLN A 30 -10.688 22.605 -0.651 1.00 4.31 H new ATOM 0 HB2 GLN A 30 -9.236 22.591 -2.659 1.00 21.31 H new ATOM 0 HB3 GLN A 30 -10.543 21.899 -3.599 1.00 21.31 H new ATOM 0 HG2 GLN A 30 -11.915 23.915 -3.213 1.00 5.15 H new ATOM 0 HG3 GLN A 30 -10.649 24.604 -2.216 1.00 5.15 H new ATOM 0 HE21 GLN A 30 -8.702 25.334 -3.181 1.00 54.42 H new ATOM 0 HE22 GLN A 30 -8.591 25.617 -4.921 1.00 54.42 H new ATOM 292 N GLU A 31 -12.878 20.627 -2.076 1.00 11.41 N ATOM 293 CA GLU A 31 -14.294 20.271 -2.301 1.00 62.33 C ATOM 294 C GLU A 31 -15.175 20.545 -1.061 1.00 14.14 C ATOM 295 O GLU A 31 -16.197 21.246 -1.152 1.00 43.13 O ATOM 296 CB GLU A 31 -14.354 18.780 -2.689 1.00 24.41 C ATOM 297 CG GLU A 31 -15.731 18.195 -2.912 1.00 60.40 C ATOM 298 CD GLU A 31 -16.459 18.820 -4.065 1.00 1.02 C ATOM 299 OE1 GLU A 31 -17.082 19.885 -3.874 1.00 31.41 O ATOM 300 OE2 GLU A 31 -16.497 18.226 -5.156 1.00 22.10 O1- ATOM 0 H GLU A 31 -12.238 19.876 -2.334 1.00 11.41 H new ATOM 0 HA GLU A 31 -14.692 20.895 -3.101 1.00 62.33 H new ATOM 0 HB2 GLU A 31 -13.773 18.641 -3.601 1.00 24.41 H new ATOM 0 HB3 GLU A 31 -13.861 18.204 -1.906 1.00 24.41 H new ATOM 0 HG2 GLU A 31 -15.639 17.123 -3.087 1.00 60.40 H new ATOM 0 HG3 GLU A 31 -16.323 18.321 -2.006 1.00 60.40 H new ATOM 307 N LEU A 32 -14.798 19.999 0.086 1.00 42.31 N ATOM 308 CA LEU A 32 -15.552 20.290 1.308 1.00 2.05 C ATOM 309 C LEU A 32 -14.821 21.284 2.191 1.00 61.23 C ATOM 310 O LEU A 32 -15.311 21.620 3.264 1.00 12.12 O ATOM 311 CB LEU A 32 -15.805 19.022 2.116 1.00 72.12 C ATOM 312 CG LEU A 32 -16.691 17.959 1.511 1.00 35.15 C ATOM 313 CD1 LEU A 32 -16.726 16.749 2.433 1.00 3.32 C ATOM 314 CD2 LEU A 32 -18.094 18.499 1.295 1.00 24.10 C ATOM 0 H LEU A 32 -14.002 19.372 0.202 1.00 42.31 H new ATOM 0 HA LEU A 32 -16.502 20.719 0.990 1.00 2.05 H new ATOM 0 HB2 LEU A 32 -14.839 18.567 2.334 1.00 72.12 H new ATOM 0 HB3 LEU A 32 -16.241 19.316 3.071 1.00 72.12 H new ATOM 0 HG LEU A 32 -16.288 17.663 0.543 1.00 35.15 H new ATOM 0 HD11 LEU A 32 -17.365 15.980 1.999 1.00 3.32 H new ATOM 0 HD12 LEU A 32 -15.717 16.356 2.556 1.00 3.32 H new ATOM 0 HD13 LEU A 32 -17.122 17.044 3.405 1.00 3.32 H new ATOM 0 HD21 LEU A 32 -18.720 17.721 0.858 1.00 24.10 H new ATOM 0 HD22 LEU A 32 -18.515 18.810 2.251 1.00 24.10 H new ATOM 0 HD23 LEU A 32 -18.055 19.354 0.620 1.00 24.10 H new ATOM 326 N ASN A 33 -13.681 21.778 1.706 1.00 33.03 N ATOM 327 CA ASN A 33 -12.765 22.621 2.500 1.00 30.44 C ATOM 328 C ASN A 33 -12.374 21.847 3.762 1.00 1.12 C ATOM 329 O ASN A 33 -12.810 22.136 4.886 1.00 12.11 O ATOM 330 CB ASN A 33 -13.362 24.012 2.836 1.00 34.22 C ATOM 331 CG ASN A 33 -12.367 24.957 3.515 1.00 72.30 C ATOM 332 OD1 ASN A 33 -11.661 25.712 2.856 1.00 43.22 O ATOM 333 ND2 ASN A 33 -12.301 24.918 4.823 1.00 2.22 N ATOM 0 H ASN A 33 -13.360 21.609 0.753 1.00 33.03 H new ATOM 0 HA ASN A 33 -11.877 22.833 1.904 1.00 30.44 H new ATOM 0 HB2 ASN A 33 -13.722 24.475 1.917 1.00 34.22 H new ATOM 0 HB3 ASN A 33 -14.227 23.880 3.486 1.00 34.22 H new ATOM 0 HD21 ASN A 33 -11.650 25.526 5.319 1.00 2.22 H new ATOM 0 HD22 ASN A 33 -12.901 24.279 5.345 1.00 2.22 H new ATOM 340 N LEU A 34 -11.612 20.817 3.539 1.00 11.11 N ATOM 341 CA LEU A 34 -11.257 19.875 4.558 1.00 72.52 C ATOM 342 C LEU A 34 -9.886 20.169 5.101 1.00 44.32 C ATOM 343 O LEU A 34 -8.987 20.577 4.376 1.00 74.45 O ATOM 344 CB LEU A 34 -11.324 18.444 3.978 1.00 32.23 C ATOM 345 CG LEU A 34 -12.706 18.034 3.465 1.00 5.33 C ATOM 346 CD1 LEU A 34 -12.649 16.793 2.573 1.00 64.13 C ATOM 347 CD2 LEU A 34 -13.655 17.791 4.622 1.00 62.13 C ATOM 0 H LEU A 34 -11.212 20.604 2.625 1.00 11.11 H new ATOM 0 HA LEU A 34 -11.963 19.958 5.384 1.00 72.52 H new ATOM 0 HB2 LEU A 34 -10.608 18.362 3.161 1.00 32.23 H new ATOM 0 HB3 LEU A 34 -11.011 17.738 4.747 1.00 32.23 H new ATOM 0 HG LEU A 34 -13.076 18.861 2.859 1.00 5.33 H new ATOM 0 HD11 LEU A 34 -13.654 16.542 2.234 1.00 64.13 H new ATOM 0 HD12 LEU A 34 -12.015 16.994 1.710 1.00 64.13 H new ATOM 0 HD13 LEU A 34 -12.237 15.957 3.139 1.00 64.13 H new ATOM 0 HD21 LEU A 34 -14.632 17.501 4.236 1.00 62.13 H new ATOM 0 HD22 LEU A 34 -13.262 16.994 5.253 1.00 62.13 H new ATOM 0 HD23 LEU A 34 -13.754 18.704 5.210 1.00 62.13 H new ATOM 359 N THR A 35 -9.743 19.997 6.373 1.00 20.43 N ATOM 360 CA THR A 35 -8.475 20.148 7.020 1.00 43.33 C ATOM 361 C THR A 35 -7.694 18.838 6.753 1.00 75.12 C ATOM 362 O THR A 35 -8.312 17.803 6.642 1.00 33.11 O ATOM 363 CB THR A 35 -8.740 20.334 8.533 1.00 53.00 C ATOM 364 OG1 THR A 35 -9.735 21.352 8.693 1.00 34.23 O ATOM 365 CG2 THR A 35 -7.488 20.755 9.287 1.00 73.42 C ATOM 0 H THR A 35 -10.507 19.746 7.001 1.00 20.43 H new ATOM 0 HA THR A 35 -7.906 21.004 6.656 1.00 43.33 H new ATOM 0 HB THR A 35 -9.070 19.379 8.941 1.00 53.00 H new ATOM 0 HG1 THR A 35 -9.918 21.483 9.647 1.00 34.23 H new ATOM 0 HG21 THR A 35 -7.723 20.873 10.345 1.00 73.42 H new ATOM 0 HG22 THR A 35 -6.719 19.992 9.169 1.00 73.42 H new ATOM 0 HG23 THR A 35 -7.124 21.702 8.888 1.00 73.42 H new ATOM 373 N PRO A 36 -6.353 18.851 6.595 1.00 22.53 N ATOM 374 CA PRO A 36 -5.575 17.601 6.364 1.00 52.02 C ATOM 375 C PRO A 36 -5.761 16.565 7.497 1.00 0.54 C ATOM 376 O PRO A 36 -5.554 15.387 7.311 1.00 21.21 O ATOM 377 CB PRO A 36 -4.125 18.088 6.313 1.00 31.31 C ATOM 378 CG PRO A 36 -4.221 19.524 5.923 1.00 21.24 C ATOM 379 CD PRO A 36 -5.487 20.044 6.547 1.00 63.21 C ATOM 0 HA PRO A 36 -5.898 17.085 5.460 1.00 52.02 H new ATOM 0 HB2 PRO A 36 -3.634 17.972 7.279 1.00 31.31 H new ATOM 0 HB3 PRO A 36 -3.542 17.519 5.589 1.00 31.31 H new ATOM 0 HG2 PRO A 36 -3.354 20.082 6.277 1.00 21.24 H new ATOM 0 HG3 PRO A 36 -4.248 19.632 4.839 1.00 21.24 H new ATOM 0 HD2 PRO A 36 -5.308 20.452 7.542 1.00 63.21 H new ATOM 0 HD3 PRO A 36 -5.932 20.841 5.951 1.00 63.21 H new ATOM 387 N GLN A 37 -6.162 17.039 8.662 1.00 44.32 N ATOM 388 CA GLN A 37 -6.441 16.175 9.809 1.00 20.33 C ATOM 389 C GLN A 37 -7.905 15.709 9.784 1.00 53.43 C ATOM 390 O GLN A 37 -8.351 14.976 10.648 1.00 35.33 O ATOM 391 CB GLN A 37 -6.137 16.897 11.143 1.00 33.54 C ATOM 392 CG GLN A 37 -4.649 17.194 11.427 1.00 74.51 C ATOM 393 CD GLN A 37 -3.997 18.180 10.459 1.00 42.40 C ATOM 394 OE1 GLN A 37 -4.643 19.070 9.913 1.00 41.52 O ATOM 395 NE2 GLN A 37 -2.715 18.023 10.241 1.00 1.24 N ATOM 0 H GLN A 37 -6.305 18.032 8.846 1.00 44.32 H new ATOM 0 HA GLN A 37 -5.788 15.305 9.738 1.00 20.33 H new ATOM 0 HB2 GLN A 37 -6.684 17.840 11.156 1.00 33.54 H new ATOM 0 HB3 GLN A 37 -6.528 16.290 11.959 1.00 33.54 H new ATOM 0 HG2 GLN A 37 -4.558 17.587 12.440 1.00 74.51 H new ATOM 0 HG3 GLN A 37 -4.094 16.256 11.398 1.00 74.51 H new ATOM 0 HE21 GLN A 37 -2.206 17.274 10.710 1.00 1.24 H new ATOM 0 HE22 GLN A 37 -2.226 18.650 9.602 1.00 1.24 H new ATOM 404 N GLN A 38 -8.636 16.184 8.800 1.00 33.40 N ATOM 405 CA GLN A 38 -10.015 15.844 8.585 1.00 3.21 C ATOM 406 C GLN A 38 -10.108 15.028 7.294 1.00 4.32 C ATOM 407 O GLN A 38 -11.125 14.398 6.999 1.00 12.52 O ATOM 408 CB GLN A 38 -10.802 17.148 8.438 1.00 42.33 C ATOM 409 CG GLN A 38 -12.273 16.992 8.195 1.00 3.15 C ATOM 410 CD GLN A 38 -12.946 18.333 8.036 1.00 32.52 C ATOM 411 OE1 GLN A 38 -12.325 19.298 7.584 1.00 4.14 O ATOM 412 NE2 GLN A 38 -14.204 18.409 8.379 1.00 11.50 N ATOM 0 H GLN A 38 -8.270 16.838 8.108 1.00 33.40 H new ATOM 0 HA GLN A 38 -10.418 15.262 9.413 1.00 3.21 H new ATOM 0 HB2 GLN A 38 -10.662 17.740 9.342 1.00 42.33 H new ATOM 0 HB3 GLN A 38 -10.374 17.719 7.614 1.00 42.33 H new ATOM 0 HG2 GLN A 38 -12.434 16.393 7.299 1.00 3.15 H new ATOM 0 HG3 GLN A 38 -12.726 16.451 9.026 1.00 3.15 H new ATOM 0 HE21 GLN A 38 -14.682 17.588 8.749 1.00 11.50 H new ATOM 0 HE22 GLN A 38 -14.708 19.290 8.277 1.00 11.50 H new ATOM 421 N LEU A 39 -9.036 15.056 6.531 1.00 73.41 N ATOM 422 CA LEU A 39 -8.989 14.380 5.285 1.00 11.32 C ATOM 423 C LEU A 39 -7.660 13.675 5.147 1.00 61.11 C ATOM 424 O LEU A 39 -6.686 14.211 4.613 1.00 74.45 O ATOM 425 CB LEU A 39 -9.284 15.352 4.110 1.00 5.24 C ATOM 426 CG LEU A 39 -9.647 14.744 2.735 1.00 11.33 C ATOM 427 CD1 LEU A 39 -8.438 14.211 2.000 1.00 41.03 C ATOM 428 CD2 LEU A 39 -10.677 13.645 2.905 1.00 42.32 C ATOM 0 H LEU A 39 -8.179 15.554 6.772 1.00 73.41 H new ATOM 0 HA LEU A 39 -9.772 13.622 5.248 1.00 11.32 H new ATOM 0 HB2 LEU A 39 -10.104 16.003 4.414 1.00 5.24 H new ATOM 0 HB3 LEU A 39 -8.408 15.986 3.973 1.00 5.24 H new ATOM 0 HG LEU A 39 -10.064 15.549 2.129 1.00 11.33 H new ATOM 0 HD11 LEU A 39 -8.749 13.796 1.041 1.00 41.03 H new ATOM 0 HD12 LEU A 39 -7.728 15.021 1.832 1.00 41.03 H new ATOM 0 HD13 LEU A 39 -7.964 13.432 2.597 1.00 41.03 H new ATOM 0 HD21 LEU A 39 -10.925 13.225 1.930 1.00 42.32 H new ATOM 0 HD22 LEU A 39 -10.271 12.862 3.545 1.00 42.32 H new ATOM 0 HD23 LEU A 39 -11.577 14.057 3.362 1.00 42.32 H new ATOM 440 N HIS A 40 -7.620 12.545 5.736 1.00 60.41 N ATOM 441 CA HIS A 40 -6.538 11.631 5.652 1.00 2.41 C ATOM 442 C HIS A 40 -7.109 10.339 5.044 1.00 50.42 C ATOM 443 O HIS A 40 -8.328 10.206 4.926 1.00 62.02 O ATOM 444 CB HIS A 40 -5.869 11.420 7.044 1.00 70.41 C ATOM 445 CG HIS A 40 -4.762 10.394 7.057 1.00 21.31 C ATOM 446 ND1 HIS A 40 -4.863 9.204 7.705 1.00 13.24 N ATOM 447 CD2 HIS A 40 -3.566 10.366 6.418 1.00 64.24 C ATOM 448 CE1 HIS A 40 -3.798 8.478 7.455 1.00 55.00 C ATOM 449 NE2 HIS A 40 -2.953 9.135 6.669 1.00 44.23 N ATOM 0 H HIS A 40 -8.382 12.208 6.325 1.00 60.41 H new ATOM 0 HA HIS A 40 -5.736 12.008 5.018 1.00 2.41 H new ATOM 0 HB2 HIS A 40 -5.468 12.373 7.389 1.00 70.41 H new ATOM 0 HB3 HIS A 40 -6.635 11.119 7.759 1.00 70.41 H new ATOM 0 HD1 HIS A 40 -5.645 8.919 8.294 1.00 13.24 H new ATOM 0 HD2 HIS A 40 -3.155 11.163 5.815 1.00 64.24 H new ATOM 0 HE1 HIS A 40 -3.632 7.482 7.837 1.00 55.00 H new ATOM 457 N GLU A 41 -6.241 9.450 4.608 1.00 70.05 N ATOM 458 CA GLU A 41 -6.572 8.204 3.910 1.00 70.22 C ATOM 459 C GLU A 41 -7.774 7.425 4.561 1.00 52.14 C ATOM 460 O GLU A 41 -8.611 6.869 3.848 1.00 13.02 O ATOM 461 CB GLU A 41 -5.295 7.333 3.898 1.00 14.12 C ATOM 462 CG GLU A 41 -5.279 6.153 2.927 1.00 75.05 C ATOM 463 CD GLU A 41 -5.345 6.576 1.468 1.00 34.02 C ATOM 464 OE1 GLU A 41 -6.161 6.016 0.711 1.00 60.10 O ATOM 465 OE2 GLU A 41 -4.616 7.504 1.056 1.00 72.03 O1- ATOM 0 H GLU A 41 -5.236 9.573 4.731 1.00 70.05 H new ATOM 0 HA GLU A 41 -6.902 8.443 2.899 1.00 70.22 H new ATOM 0 HB2 GLU A 41 -4.446 7.976 3.666 1.00 14.12 H new ATOM 0 HB3 GLU A 41 -5.137 6.947 4.905 1.00 14.12 H new ATOM 0 HG2 GLU A 41 -4.372 5.570 3.089 1.00 75.05 H new ATOM 0 HG3 GLU A 41 -6.122 5.498 3.147 1.00 75.05 H new ATOM 472 N GLU A 42 -7.904 7.465 5.885 1.00 15.21 N ATOM 473 CA GLU A 42 -8.922 6.657 6.576 1.00 3.43 C ATOM 474 C GLU A 42 -10.168 7.497 6.938 1.00 74.12 C ATOM 475 O GLU A 42 -11.133 6.978 7.503 1.00 70.22 O ATOM 476 CB GLU A 42 -8.315 6.028 7.863 1.00 44.44 C ATOM 477 CG GLU A 42 -8.324 6.926 9.116 1.00 14.31 C ATOM 478 CD GLU A 42 -7.466 8.147 8.985 1.00 41.34 C ATOM 479 OE1 GLU A 42 -7.852 9.097 8.268 1.00 22.00 O ATOM 480 OE2 GLU A 42 -6.384 8.159 9.555 1.00 3.32 O1- ATOM 0 H GLU A 42 -7.328 8.039 6.500 1.00 15.21 H new ATOM 0 HA GLU A 42 -9.239 5.866 5.896 1.00 3.43 H new ATOM 0 HB2 GLU A 42 -8.862 5.113 8.091 1.00 44.44 H new ATOM 0 HB3 GLU A 42 -7.285 5.740 7.653 1.00 44.44 H new ATOM 0 HG2 GLU A 42 -9.349 7.233 9.325 1.00 14.31 H new ATOM 0 HG3 GLU A 42 -7.984 6.344 9.973 1.00 14.31 H new ATOM 487 N SER A 43 -10.139 8.765 6.610 1.00 41.21 N ATOM 488 CA SER A 43 -11.193 9.671 6.987 1.00 42.44 C ATOM 489 C SER A 43 -12.503 9.382 6.230 1.00 54.44 C ATOM 490 O SER A 43 -12.502 9.086 5.009 1.00 23.24 O ATOM 491 CB SER A 43 -10.724 11.100 6.777 1.00 0.32 C ATOM 492 OG SER A 43 -9.483 11.326 7.457 1.00 44.23 O ATOM 0 H SER A 43 -9.385 9.197 6.075 1.00 41.21 H new ATOM 0 HA SER A 43 -11.418 9.524 8.043 1.00 42.44 H new ATOM 0 HB2 SER A 43 -10.603 11.296 5.712 1.00 0.32 H new ATOM 0 HB3 SER A 43 -11.479 11.795 7.145 1.00 0.32 H new ATOM 0 HG SER A 43 -9.091 10.466 7.717 1.00 44.23 H new ATOM 498 N ASN A 44 -13.613 9.448 6.962 1.00 13.43 N ATOM 499 CA ASN A 44 -14.927 9.168 6.411 1.00 70.44 C ATOM 500 C ASN A 44 -15.470 10.395 5.697 1.00 24.03 C ATOM 501 O ASN A 44 -15.795 11.403 6.307 1.00 30.40 O ATOM 502 CB ASN A 44 -15.905 8.659 7.506 1.00 51.15 C ATOM 503 CG ASN A 44 -17.286 8.219 6.968 1.00 33.10 C ATOM 504 OD1 ASN A 44 -17.814 8.753 5.987 1.00 22.14 O ATOM 505 ND2 ASN A 44 -17.874 7.242 7.613 1.00 11.14 N ATOM 0 H ASN A 44 -13.622 9.697 7.951 1.00 13.43 H new ATOM 0 HA ASN A 44 -14.830 8.366 5.679 1.00 70.44 H new ATOM 0 HB2 ASN A 44 -15.445 7.818 8.025 1.00 51.15 H new ATOM 0 HB3 ASN A 44 -16.050 9.449 8.243 1.00 51.15 H new ATOM 0 HD21 ASN A 44 -18.788 6.907 7.308 1.00 11.14 H new ATOM 0 HD22 ASN A 44 -17.418 6.817 8.420 1.00 11.14 H new ATOM 512 N LEU A 45 -15.589 10.268 4.409 1.00 32.33 N ATOM 513 CA LEU A 45 -16.002 11.345 3.522 1.00 54.21 C ATOM 514 C LEU A 45 -17.455 11.766 3.674 1.00 5.30 C ATOM 515 O LEU A 45 -17.788 12.943 3.519 1.00 15.11 O ATOM 516 CB LEU A 45 -15.752 10.927 2.107 1.00 2.25 C ATOM 517 CG LEU A 45 -14.305 10.860 1.682 1.00 44.33 C ATOM 518 CD1 LEU A 45 -14.216 10.195 0.341 1.00 45.53 C ATOM 519 CD2 LEU A 45 -13.727 12.272 1.623 1.00 32.32 C ATOM 0 H LEU A 45 -15.399 9.393 3.921 1.00 32.33 H new ATOM 0 HA LEU A 45 -15.409 12.217 3.799 1.00 54.21 H new ATOM 0 HB2 LEU A 45 -16.201 9.945 1.955 1.00 2.25 H new ATOM 0 HB3 LEU A 45 -16.272 11.621 1.447 1.00 2.25 H new ATOM 0 HG LEU A 45 -13.729 10.279 2.402 1.00 44.33 H new ATOM 0 HD11 LEU A 45 -13.173 10.144 0.029 1.00 45.53 H new ATOM 0 HD12 LEU A 45 -14.625 9.187 0.407 1.00 45.53 H new ATOM 0 HD13 LEU A 45 -14.785 10.770 -0.389 1.00 45.53 H new ATOM 0 HD21 LEU A 45 -12.682 12.225 1.316 1.00 32.32 H new ATOM 0 HD22 LEU A 45 -14.290 12.866 0.903 1.00 32.32 H new ATOM 0 HD23 LEU A 45 -13.796 12.735 2.608 1.00 32.32 H new ATOM 531 N ILE A 46 -18.314 10.839 3.969 1.00 41.12 N ATOM 532 CA ILE A 46 -19.723 11.160 4.077 1.00 33.14 C ATOM 533 C ILE A 46 -20.023 11.693 5.477 1.00 52.24 C ATOM 534 O ILE A 46 -20.987 12.407 5.699 1.00 41.12 O ATOM 535 CB ILE A 46 -20.612 9.950 3.647 1.00 0.51 C ATOM 536 CG1 ILE A 46 -20.318 9.652 2.157 1.00 44.24 C ATOM 537 CG2 ILE A 46 -22.102 10.234 3.860 1.00 11.24 C ATOM 538 CD1 ILE A 46 -21.046 8.463 1.571 1.00 74.02 C ATOM 0 H ILE A 46 -18.078 9.861 4.140 1.00 41.12 H new ATOM 0 HA ILE A 46 -19.978 11.958 3.379 1.00 33.14 H new ATOM 0 HB ILE A 46 -20.371 9.085 4.265 1.00 0.51 H new ATOM 0 HG12 ILE A 46 -20.573 10.535 1.572 1.00 44.24 H new ATOM 0 HG13 ILE A 46 -19.246 9.491 2.042 1.00 44.24 H new ATOM 0 HG21 ILE A 46 -22.686 9.368 3.549 1.00 11.24 H new ATOM 0 HG22 ILE A 46 -22.287 10.436 4.915 1.00 11.24 H new ATOM 0 HG23 ILE A 46 -22.395 11.101 3.268 1.00 11.24 H new ATOM 0 HD11 ILE A 46 -20.767 8.346 0.524 1.00 74.02 H new ATOM 0 HD12 ILE A 46 -20.775 7.563 2.122 1.00 74.02 H new ATOM 0 HD13 ILE A 46 -22.122 8.623 1.644 1.00 74.02 H new ATOM 550 N GLN A 47 -19.127 11.386 6.391 1.00 21.32 N ATOM 551 CA GLN A 47 -19.177 11.921 7.734 1.00 13.31 C ATOM 552 C GLN A 47 -18.684 13.370 7.676 1.00 35.31 C ATOM 553 O GLN A 47 -19.161 14.232 8.406 1.00 70.53 O ATOM 554 CB GLN A 47 -18.302 11.039 8.654 1.00 0.34 C ATOM 555 CG GLN A 47 -18.319 11.355 10.150 1.00 54.04 C ATOM 556 CD GLN A 47 -17.484 12.569 10.550 1.00 13.54 C ATOM 557 OE1 GLN A 47 -16.466 12.866 9.939 1.00 2.14 O ATOM 558 NE2 GLN A 47 -17.915 13.272 11.564 1.00 24.53 N ATOM 0 H GLN A 47 -18.342 10.757 6.223 1.00 21.32 H new ATOM 0 HA GLN A 47 -20.188 11.915 8.141 1.00 13.31 H new ATOM 0 HB2 GLN A 47 -18.614 10.003 8.524 1.00 0.34 H new ATOM 0 HB3 GLN A 47 -17.271 11.107 8.306 1.00 0.34 H new ATOM 0 HG2 GLN A 47 -19.350 11.520 10.462 1.00 54.04 H new ATOM 0 HG3 GLN A 47 -17.956 10.484 10.697 1.00 54.04 H new ATOM 0 HE21 GLN A 47 -18.768 12.996 12.051 1.00 24.53 H new ATOM 0 HE22 GLN A 47 -17.399 14.097 11.869 1.00 24.53 H new ATOM 567 N ALA A 48 -17.729 13.610 6.779 1.00 31.44 N ATOM 568 CA ALA A 48 -17.197 14.937 6.548 1.00 15.35 C ATOM 569 C ALA A 48 -18.241 15.811 5.858 1.00 45.04 C ATOM 570 O ALA A 48 -18.321 17.010 6.110 1.00 73.32 O ATOM 571 CB ALA A 48 -15.919 14.863 5.724 1.00 74.20 C ATOM 0 H ALA A 48 -17.308 12.886 6.197 1.00 31.44 H new ATOM 0 HA ALA A 48 -16.953 15.389 7.509 1.00 15.35 H new ATOM 0 HB1 ALA A 48 -15.533 15.869 5.560 1.00 74.20 H new ATOM 0 HB2 ALA A 48 -15.175 14.272 6.258 1.00 74.20 H new ATOM 0 HB3 ALA A 48 -16.132 14.395 4.763 1.00 74.20 H new ATOM 577 N GLY A 49 -19.027 15.206 4.975 1.00 14.11 N ATOM 578 CA GLY A 49 -20.116 15.939 4.373 1.00 64.55 C ATOM 579 C GLY A 49 -20.215 15.845 2.858 1.00 53.52 C ATOM 580 O GLY A 49 -20.739 16.761 2.226 1.00 61.21 O ATOM 0 H GLY A 49 -18.930 14.237 4.671 1.00 14.11 H new ATOM 0 HA2 GLY A 49 -21.052 15.582 4.803 1.00 64.55 H new ATOM 0 HA3 GLY A 49 -20.019 16.989 4.648 1.00 64.55 H new ATOM 584 N LEU A 50 -19.705 14.776 2.251 1.00 73.14 N ATOM 585 CA LEU A 50 -19.878 14.621 0.808 1.00 44.13 C ATOM 586 C LEU A 50 -21.313 14.307 0.457 1.00 14.30 C ATOM 587 O LEU A 50 -21.811 13.214 0.752 1.00 72.32 O ATOM 588 CB LEU A 50 -18.980 13.551 0.187 1.00 73.15 C ATOM 589 CG LEU A 50 -17.483 13.841 0.100 1.00 22.44 C ATOM 590 CD1 LEU A 50 -16.844 12.746 -0.688 1.00 13.31 C ATOM 591 CD2 LEU A 50 -17.201 15.161 -0.599 1.00 74.33 C ATOM 0 H LEU A 50 -19.187 14.029 2.714 1.00 73.14 H new ATOM 0 HA LEU A 50 -19.585 15.584 0.389 1.00 44.13 H new ATOM 0 HB2 LEU A 50 -19.110 12.632 0.758 1.00 73.15 H new ATOM 0 HB3 LEU A 50 -19.342 13.354 -0.822 1.00 73.15 H new ATOM 0 HG LEU A 50 -17.084 13.901 1.113 1.00 22.44 H new ATOM 0 HD11 LEU A 50 -15.772 12.930 -0.765 1.00 13.31 H new ATOM 0 HD12 LEU A 50 -17.013 11.792 -0.189 1.00 13.31 H new ATOM 0 HD13 LEU A 50 -17.279 12.715 -1.687 1.00 13.31 H new ATOM 0 HD21 LEU A 50 -16.125 15.329 -0.639 1.00 74.33 H new ATOM 0 HD22 LEU A 50 -17.602 15.129 -1.612 1.00 74.33 H new ATOM 0 HD23 LEU A 50 -17.674 15.973 -0.047 1.00 74.33 H new ATOM 603 N ASP A 51 -21.982 15.272 -0.141 1.00 50.22 N ATOM 604 CA ASP A 51 -23.328 15.074 -0.647 1.00 42.31 C ATOM 605 C ASP A 51 -23.269 14.133 -1.832 1.00 15.42 C ATOM 606 O ASP A 51 -22.184 13.872 -2.387 1.00 35.13 O ATOM 607 CB ASP A 51 -23.987 16.396 -1.071 1.00 15.50 C ATOM 608 CG ASP A 51 -23.246 17.086 -2.194 1.00 35.43 C ATOM 609 OD1 ASP A 51 -22.456 17.997 -1.898 1.00 73.31 O ATOM 610 OD2 ASP A 51 -23.423 16.697 -3.372 1.00 55.31 O1- ATOM 0 H ASP A 51 -21.612 16.211 -0.290 1.00 50.22 H new ATOM 0 HA ASP A 51 -23.934 14.651 0.154 1.00 42.31 H new ATOM 0 HB2 ASP A 51 -25.013 16.201 -1.384 1.00 15.50 H new ATOM 0 HB3 ASP A 51 -24.038 17.064 -0.211 1.00 15.50 H new ATOM 615 N SER A 52 -24.400 13.651 -2.262 1.00 63.51 N ATOM 616 CA SER A 52 -24.393 12.673 -3.296 1.00 53.42 C ATOM 617 C SER A 52 -24.120 13.221 -4.690 1.00 20.22 C ATOM 618 O SER A 52 -23.787 12.446 -5.584 1.00 0.45 O ATOM 619 CB SER A 52 -25.595 11.784 -3.251 1.00 32.44 C ATOM 620 OG SER A 52 -25.723 11.219 -1.950 1.00 55.12 O ATOM 0 H SER A 52 -25.322 13.918 -1.916 1.00 63.51 H new ATOM 0 HA SER A 52 -23.526 12.049 -3.077 1.00 53.42 H new ATOM 0 HB2 SER A 52 -26.490 12.353 -3.501 1.00 32.44 H new ATOM 0 HB3 SER A 52 -25.502 10.993 -3.995 1.00 32.44 H new ATOM 0 HG SER A 52 -25.677 10.242 -2.012 1.00 55.12 H new ATOM 626 N ILE A 53 -24.207 14.536 -4.892 1.00 13.14 N ATOM 627 CA ILE A 53 -23.864 15.049 -6.193 1.00 11.21 C ATOM 628 C ILE A 53 -22.379 15.009 -6.285 1.00 23.23 C ATOM 629 O ILE A 53 -21.848 14.536 -7.253 1.00 4.53 O ATOM 630 CB ILE A 53 -24.344 16.483 -6.509 1.00 22.24 C ATOM 631 CG1 ILE A 53 -25.874 16.605 -6.323 1.00 63.13 C ATOM 632 CG2 ILE A 53 -23.941 16.840 -7.966 1.00 50.52 C ATOM 633 CD1 ILE A 53 -26.700 15.671 -7.199 1.00 3.01 C ATOM 0 H ILE A 53 -24.499 15.227 -4.201 1.00 13.14 H new ATOM 0 HA ILE A 53 -24.378 14.424 -6.923 1.00 11.21 H new ATOM 0 HB ILE A 53 -23.871 17.181 -5.818 1.00 22.24 H new ATOM 0 HG12 ILE A 53 -26.116 16.409 -5.278 1.00 63.13 H new ATOM 0 HG13 ILE A 53 -26.171 17.633 -6.531 1.00 63.13 H new ATOM 0 HG21 ILE A 53 -24.276 17.851 -8.199 1.00 50.52 H new ATOM 0 HG22 ILE A 53 -22.857 16.784 -8.068 1.00 50.52 H new ATOM 0 HG23 ILE A 53 -24.407 16.136 -8.655 1.00 50.52 H new ATOM 0 HD11 ILE A 53 -27.760 15.828 -7.000 1.00 3.01 H new ATOM 0 HD12 ILE A 53 -26.494 15.879 -8.249 1.00 3.01 H new ATOM 0 HD13 ILE A 53 -26.438 14.637 -6.976 1.00 3.01 H new ATOM 645 N ARG A 54 -21.713 15.469 -5.229 1.00 22.34 N ATOM 646 CA ARG A 54 -20.256 15.382 -5.135 1.00 62.22 C ATOM 647 C ARG A 54 -19.807 13.946 -5.329 1.00 4.40 C ATOM 648 O ARG A 54 -18.884 13.677 -6.096 1.00 31.53 O ATOM 649 CB ARG A 54 -19.763 15.920 -3.802 1.00 44.11 C ATOM 650 CG ARG A 54 -19.773 17.428 -3.706 1.00 12.54 C ATOM 651 CD ARG A 54 -19.424 17.873 -2.308 1.00 60.34 C ATOM 652 NE ARG A 54 -19.081 19.300 -2.234 1.00 71.31 N ATOM 653 CZ ARG A 54 -19.682 20.187 -1.466 1.00 25.30 C ATOM 654 NH1 ARG A 54 -20.943 19.983 -1.070 1.00 5.41 N1+ ATOM 655 NH2 ARG A 54 -19.055 21.330 -1.172 1.00 22.15 N ATOM 0 H ARG A 54 -22.160 15.907 -4.423 1.00 22.34 H new ATOM 0 HA ARG A 54 -19.823 15.996 -5.924 1.00 62.22 H new ATOM 0 HB2 ARG A 54 -20.384 15.511 -3.005 1.00 44.11 H new ATOM 0 HB3 ARG A 54 -18.748 15.562 -3.630 1.00 44.11 H new ATOM 0 HG2 ARG A 54 -19.060 17.848 -4.416 1.00 12.54 H new ATOM 0 HG3 ARG A 54 -20.757 17.809 -3.980 1.00 12.54 H new ATOM 0 HD2 ARG A 54 -20.267 17.672 -1.646 1.00 60.34 H new ATOM 0 HD3 ARG A 54 -18.584 17.283 -1.943 1.00 60.34 H new ATOM 0 HE ARG A 54 -18.317 19.630 -2.824 1.00 71.31 H new ATOM 0 HH11 ARG A 54 -21.439 19.141 -1.362 1.00 5.41 H new ATOM 0 HH12 ARG A 54 -21.408 20.669 -0.476 1.00 5.41 H new ATOM 0 HH21 ARG A 54 -18.121 21.509 -1.541 1.00 22.15 H new ATOM 0 HH22 ARG A 54 -19.510 22.024 -0.579 1.00 22.15 H new ATOM 669 N LEU A 55 -20.517 13.034 -4.673 1.00 23.32 N ATOM 670 CA LEU A 55 -20.300 11.598 -4.813 1.00 65.01 C ATOM 671 C LEU A 55 -20.342 11.167 -6.293 1.00 53.40 C ATOM 672 O LEU A 55 -19.412 10.533 -6.793 1.00 54.32 O ATOM 673 CB LEU A 55 -21.356 10.818 -3.987 1.00 50.34 C ATOM 674 CG LEU A 55 -21.226 10.860 -2.453 1.00 22.41 C ATOM 675 CD1 LEU A 55 -22.276 9.984 -1.797 1.00 41.25 C ATOM 676 CD2 LEU A 55 -19.848 10.417 -2.013 1.00 75.25 C ATOM 0 H LEU A 55 -21.266 13.273 -4.023 1.00 23.32 H new ATOM 0 HA LEU A 55 -19.307 11.364 -4.429 1.00 65.01 H new ATOM 0 HB2 LEU A 55 -22.341 11.201 -4.252 1.00 50.34 H new ATOM 0 HB3 LEU A 55 -21.325 9.774 -4.300 1.00 50.34 H new ATOM 0 HG LEU A 55 -21.380 11.892 -2.139 1.00 22.41 H new ATOM 0 HD11 LEU A 55 -22.163 10.030 -0.714 1.00 41.25 H new ATOM 0 HD12 LEU A 55 -23.269 10.337 -2.074 1.00 41.25 H new ATOM 0 HD13 LEU A 55 -22.151 8.954 -2.131 1.00 41.25 H new ATOM 0 HD21 LEU A 55 -19.783 10.456 -0.926 1.00 75.25 H new ATOM 0 HD22 LEU A 55 -19.669 9.396 -2.351 1.00 75.25 H new ATOM 0 HD23 LEU A 55 -19.098 11.079 -2.445 1.00 75.25 H new ATOM 688 N MET A 56 -21.387 11.548 -7.003 1.00 15.10 N ATOM 689 CA MET A 56 -21.523 11.138 -8.396 1.00 75.21 C ATOM 690 C MET A 56 -20.714 11.995 -9.357 1.00 63.31 C ATOM 691 O MET A 56 -20.447 11.571 -10.485 1.00 24.25 O ATOM 692 CB MET A 56 -22.981 10.987 -8.831 1.00 71.13 C ATOM 693 CG MET A 56 -23.821 12.239 -8.733 1.00 4.21 C ATOM 694 SD MET A 56 -25.572 11.909 -8.996 1.00 75.04 S ATOM 695 CE MET A 56 -25.893 10.750 -7.653 1.00 73.20 C ATOM 0 H MET A 56 -22.145 12.131 -6.650 1.00 15.10 H new ATOM 0 HA MET A 56 -21.084 10.141 -8.448 1.00 75.21 H new ATOM 0 HB2 MET A 56 -23.000 10.637 -9.863 1.00 71.13 H new ATOM 0 HB3 MET A 56 -23.445 10.210 -8.223 1.00 71.13 H new ATOM 0 HG2 MET A 56 -23.682 12.691 -7.751 1.00 4.21 H new ATOM 0 HG3 MET A 56 -23.476 12.964 -9.470 1.00 4.21 H new ATOM 0 HE1 MET A 56 -26.857 10.978 -7.198 1.00 73.20 H new ATOM 0 HE2 MET A 56 -25.909 9.733 -8.046 1.00 73.20 H new ATOM 0 HE3 MET A 56 -25.108 10.837 -6.902 1.00 73.20 H new ATOM 705 N ARG A 57 -20.307 13.197 -8.924 1.00 41.21 N ATOM 706 CA ARG A 57 -19.422 14.000 -9.740 1.00 15.24 C ATOM 707 C ARG A 57 -18.105 13.260 -9.864 1.00 1.31 C ATOM 708 O ARG A 57 -17.505 13.181 -10.940 1.00 21.44 O ATOM 709 CB ARG A 57 -19.163 15.420 -9.187 1.00 41.42 C ATOM 710 CG ARG A 57 -20.390 16.305 -9.177 1.00 2.44 C ATOM 711 CD ARG A 57 -20.055 17.788 -9.041 1.00 41.40 C ATOM 712 NE ARG A 57 -19.261 18.126 -7.848 1.00 1.52 N ATOM 713 CZ ARG A 57 -19.287 19.323 -7.228 1.00 61.10 C ATOM 714 NH1 ARG A 57 -20.196 20.246 -7.570 1.00 73.04 N1+ ATOM 715 NH2 ARG A 57 -18.432 19.583 -6.269 1.00 71.11 N ATOM 0 H ARG A 57 -20.575 13.616 -8.034 1.00 41.21 H new ATOM 0 HA ARG A 57 -19.910 14.143 -10.704 1.00 15.24 H new ATOM 0 HB2 ARG A 57 -18.777 15.339 -8.171 1.00 41.42 H new ATOM 0 HB3 ARG A 57 -18.387 15.897 -9.786 1.00 41.42 H new ATOM 0 HG2 ARG A 57 -20.952 16.148 -10.098 1.00 2.44 H new ATOM 0 HG3 ARG A 57 -21.039 16.008 -8.353 1.00 2.44 H new ATOM 0 HD2 ARG A 57 -19.509 18.107 -9.928 1.00 41.40 H new ATOM 0 HD3 ARG A 57 -20.984 18.357 -9.017 1.00 41.40 H new ATOM 0 HE ARG A 57 -18.650 17.405 -7.464 1.00 1.52 H new ATOM 0 HH11 ARG A 57 -20.875 20.046 -8.304 1.00 73.04 H new ATOM 0 HH12 ARG A 57 -20.209 21.149 -7.096 1.00 73.04 H new ATOM 0 HH21 ARG A 57 -17.747 18.880 -5.992 1.00 71.11 H new ATOM 0 HH22 ARG A 57 -18.452 20.489 -5.800 1.00 71.11 H new ATOM 729 N TRP A 58 -17.696 12.663 -8.741 1.00 31.22 N ATOM 730 CA TRP A 58 -16.499 11.858 -8.680 1.00 33.41 C ATOM 731 C TRP A 58 -16.624 10.601 -9.522 1.00 72.23 C ATOM 732 O TRP A 58 -15.650 10.155 -10.121 1.00 33.52 O ATOM 733 CB TRP A 58 -16.126 11.483 -7.241 1.00 33.44 C ATOM 734 CG TRP A 58 -15.587 12.603 -6.388 1.00 63.40 C ATOM 735 CD1 TRP A 58 -15.920 12.883 -5.087 1.00 60.31 C ATOM 736 CD2 TRP A 58 -14.609 13.586 -6.767 1.00 53.35 C ATOM 737 NE1 TRP A 58 -15.182 13.938 -4.631 1.00 51.13 N ATOM 738 CE2 TRP A 58 -14.375 14.393 -5.645 1.00 43.44 C ATOM 739 CE3 TRP A 58 -13.896 13.859 -7.943 1.00 13.41 C ATOM 740 CZ2 TRP A 58 -13.460 15.437 -5.667 1.00 12.31 C ATOM 741 CZ3 TRP A 58 -13.004 14.897 -7.953 1.00 45.35 C ATOM 742 CH2 TRP A 58 -12.791 15.668 -6.826 1.00 61.32 C ATOM 0 H TRP A 58 -18.195 12.732 -7.854 1.00 31.22 H new ATOM 0 HA TRP A 58 -15.699 12.475 -9.089 1.00 33.41 H new ATOM 0 HB2 TRP A 58 -17.010 11.073 -6.752 1.00 33.44 H new ATOM 0 HB3 TRP A 58 -15.382 10.687 -7.275 1.00 33.44 H new ATOM 0 HD1 TRP A 58 -16.658 12.348 -4.508 1.00 60.31 H new ATOM 0 HE1 TRP A 58 -15.224 14.326 -3.689 1.00 51.13 H new ATOM 0 HE3 TRP A 58 -14.048 13.259 -8.828 1.00 13.41 H new ATOM 0 HZ2 TRP A 58 -13.286 16.045 -4.792 1.00 12.31 H new ATOM 0 HZ3 TRP A 58 -12.457 15.117 -8.858 1.00 45.35 H new ATOM 0 HH2 TRP A 58 -12.074 16.475 -6.868 1.00 61.32 H new ATOM 753 N LEU A 59 -17.831 10.050 -9.585 1.00 64.43 N ATOM 754 CA LEU A 59 -18.099 8.836 -10.357 1.00 12.33 C ATOM 755 C LEU A 59 -17.729 9.033 -11.830 1.00 35.31 C ATOM 756 O LEU A 59 -17.188 8.129 -12.481 1.00 2.44 O ATOM 757 CB LEU A 59 -19.571 8.429 -10.243 1.00 64.11 C ATOM 758 CG LEU A 59 -19.954 7.131 -10.946 1.00 3.11 C ATOM 759 CD1 LEU A 59 -19.279 5.939 -10.291 1.00 53.31 C ATOM 760 CD2 LEU A 59 -21.458 6.954 -10.987 1.00 71.45 C ATOM 0 H LEU A 59 -18.649 10.427 -9.106 1.00 64.43 H new ATOM 0 HA LEU A 59 -17.482 8.039 -9.943 1.00 12.33 H new ATOM 0 HB2 LEU A 59 -19.823 8.337 -9.186 1.00 64.11 H new ATOM 0 HB3 LEU A 59 -20.184 9.234 -10.647 1.00 64.11 H new ATOM 0 HG LEU A 59 -19.601 7.191 -11.975 1.00 3.11 H new ATOM 0 HD11 LEU A 59 -19.569 5.026 -10.811 1.00 53.31 H new ATOM 0 HD12 LEU A 59 -18.197 6.059 -10.344 1.00 53.31 H new ATOM 0 HD13 LEU A 59 -19.586 5.875 -9.247 1.00 53.31 H new ATOM 0 HD21 LEU A 59 -21.701 6.020 -11.494 1.00 71.45 H new ATOM 0 HD22 LEU A 59 -21.849 6.927 -9.970 1.00 71.45 H new ATOM 0 HD23 LEU A 59 -21.908 7.787 -11.527 1.00 71.45 H new ATOM 772 N HIS A 60 -18.017 10.218 -12.332 1.00 35.34 N ATOM 773 CA HIS A 60 -17.699 10.584 -13.701 1.00 61.53 C ATOM 774 C HIS A 60 -16.187 10.797 -13.819 1.00 3.23 C ATOM 775 O HIS A 60 -15.554 10.334 -14.768 1.00 71.04 O ATOM 776 CB HIS A 60 -18.472 11.871 -14.087 1.00 31.24 C ATOM 777 CG HIS A 60 -18.335 12.309 -15.529 1.00 10.03 C ATOM 778 ND1 HIS A 60 -19.336 12.179 -16.471 1.00 11.34 N ATOM 779 CD2 HIS A 60 -17.305 12.920 -16.170 1.00 1.20 C ATOM 780 CE1 HIS A 60 -18.892 12.700 -17.621 1.00 10.32 C ATOM 781 NE2 HIS A 60 -17.668 13.162 -17.492 1.00 0.30 N ATOM 0 H HIS A 60 -18.479 10.957 -11.802 1.00 35.34 H new ATOM 0 HA HIS A 60 -17.998 9.789 -14.384 1.00 61.53 H new ATOM 0 HB2 HIS A 60 -19.529 11.716 -13.872 1.00 31.24 H new ATOM 0 HB3 HIS A 60 -18.132 12.684 -13.445 1.00 31.24 H new ATOM 0 HD2 HIS A 60 -16.355 13.177 -15.725 1.00 1.20 H new ATOM 0 HE1 HIS A 60 -19.465 12.736 -18.536 1.00 10.32 H new ATOM 0 HE2 HIS A 60 -17.100 13.607 -18.213 1.00 0.30 H new ATOM 789 N TRP A 61 -15.631 11.450 -12.806 1.00 12.33 N ATOM 790 CA TRP A 61 -14.212 11.793 -12.723 1.00 42.03 C ATOM 791 C TRP A 61 -13.329 10.539 -12.871 1.00 52.15 C ATOM 792 O TRP A 61 -12.335 10.561 -13.577 1.00 21.24 O ATOM 793 CB TRP A 61 -13.945 12.493 -11.373 1.00 3.42 C ATOM 794 CG TRP A 61 -12.564 13.064 -11.183 1.00 4.03 C ATOM 795 CD1 TRP A 61 -12.189 14.360 -11.358 1.00 25.45 C ATOM 796 CD2 TRP A 61 -11.388 12.371 -10.757 1.00 0.33 C ATOM 797 NE1 TRP A 61 -10.861 14.514 -11.084 1.00 1.41 N ATOM 798 CE2 TRP A 61 -10.344 13.312 -10.714 1.00 24.13 C ATOM 799 CE3 TRP A 61 -11.115 11.050 -10.415 1.00 62.33 C ATOM 800 CZ2 TRP A 61 -9.059 12.974 -10.344 1.00 53.41 C ATOM 801 CZ3 TRP A 61 -9.840 10.719 -10.049 1.00 20.51 C ATOM 802 CH2 TRP A 61 -8.830 11.678 -10.017 1.00 31.34 C ATOM 0 H TRP A 61 -16.166 11.765 -11.997 1.00 12.33 H new ATOM 0 HA TRP A 61 -13.958 12.467 -13.541 1.00 42.03 H new ATOM 0 HB2 TRP A 61 -14.669 13.300 -11.256 1.00 3.42 H new ATOM 0 HB3 TRP A 61 -14.133 11.777 -10.573 1.00 3.42 H new ATOM 0 HD1 TRP A 61 -12.850 15.155 -11.670 1.00 25.45 H new ATOM 0 HE1 TRP A 61 -10.341 15.389 -11.147 1.00 1.41 H new ATOM 0 HE3 TRP A 61 -11.894 10.302 -10.438 1.00 62.33 H new ATOM 0 HZ2 TRP A 61 -8.269 13.710 -10.316 1.00 53.41 H new ATOM 0 HZ3 TRP A 61 -9.612 9.698 -9.780 1.00 20.51 H new ATOM 0 HH2 TRP A 61 -7.834 11.380 -9.723 1.00 31.34 H new ATOM 813 N PHE A 62 -13.712 9.451 -12.216 1.00 13.23 N ATOM 814 CA PHE A 62 -12.944 8.189 -12.281 1.00 52.43 C ATOM 815 C PHE A 62 -12.832 7.707 -13.705 1.00 14.21 C ATOM 816 O PHE A 62 -11.779 7.289 -14.178 1.00 23.01 O ATOM 817 CB PHE A 62 -13.646 7.077 -11.486 1.00 52.23 C ATOM 818 CG PHE A 62 -13.876 7.394 -10.068 1.00 65.15 C ATOM 819 CD1 PHE A 62 -15.115 7.208 -9.502 1.00 21.15 C ATOM 820 CD2 PHE A 62 -12.865 7.903 -9.308 1.00 21.34 C ATOM 821 CE1 PHE A 62 -15.340 7.532 -8.188 1.00 61.51 C ATOM 822 CE2 PHE A 62 -13.074 8.223 -7.992 1.00 63.31 C ATOM 823 CZ PHE A 62 -14.314 8.042 -7.430 1.00 3.35 C ATOM 0 H PHE A 62 -14.547 9.405 -11.631 1.00 13.23 H new ATOM 0 HA PHE A 62 -11.959 8.396 -11.862 1.00 52.43 H new ATOM 0 HB2 PHE A 62 -14.605 6.861 -11.957 1.00 52.23 H new ATOM 0 HB3 PHE A 62 -13.047 6.168 -11.550 1.00 52.23 H new ATOM 0 HD1 PHE A 62 -15.919 6.803 -10.098 1.00 21.15 H new ATOM 0 HD2 PHE A 62 -11.890 8.055 -9.747 1.00 21.34 H new ATOM 0 HE1 PHE A 62 -16.318 7.387 -7.752 1.00 61.51 H new ATOM 0 HE2 PHE A 62 -12.264 8.617 -7.397 1.00 63.31 H new ATOM 0 HZ PHE A 62 -14.482 8.300 -6.395 1.00 3.35 H new ATOM 833 N ARG A 63 -13.900 7.842 -14.390 1.00 73.23 N ATOM 834 CA ARG A 63 -14.055 7.278 -15.679 1.00 61.42 C ATOM 835 C ARG A 63 -13.202 7.956 -16.771 1.00 2.33 C ATOM 836 O ARG A 63 -13.074 7.413 -17.853 1.00 31.45 O ATOM 837 CB ARG A 63 -15.533 7.066 -15.997 1.00 23.42 C ATOM 838 CG ARG A 63 -16.192 6.187 -14.940 1.00 1.54 C ATOM 839 CD ARG A 63 -17.676 5.985 -15.159 1.00 50.13 C ATOM 840 NE ARG A 63 -18.233 5.098 -14.121 1.00 72.22 N ATOM 841 CZ ARG A 63 -19.301 4.304 -14.260 1.00 14.41 C ATOM 842 NH1 ARG A 63 -20.018 4.328 -15.391 1.00 41.43 N1+ ATOM 843 NH2 ARG A 63 -19.651 3.487 -13.265 1.00 1.44 N ATOM 0 H ARG A 63 -14.715 8.361 -14.064 1.00 73.23 H new ATOM 0 HA ARG A 63 -13.618 6.279 -15.671 1.00 61.42 H new ATOM 0 HB2 ARG A 63 -16.041 8.029 -16.045 1.00 23.42 H new ATOM 0 HB3 ARG A 63 -15.636 6.602 -16.978 1.00 23.42 H new ATOM 0 HG2 ARG A 63 -15.699 5.215 -14.929 1.00 1.54 H new ATOM 0 HG3 ARG A 63 -16.036 6.634 -13.958 1.00 1.54 H new ATOM 0 HD2 ARG A 63 -18.188 6.947 -15.137 1.00 50.13 H new ATOM 0 HD3 ARG A 63 -17.849 5.555 -16.145 1.00 50.13 H new ATOM 0 HE ARG A 63 -17.762 5.089 -13.216 1.00 72.22 H new ATOM 0 HH11 ARG A 63 -19.751 4.953 -16.151 1.00 41.43 H new ATOM 0 HH12 ARG A 63 -20.831 3.721 -15.492 1.00 41.43 H new ATOM 0 HH21 ARG A 63 -19.105 3.470 -12.403 1.00 1.44 H new ATOM 0 HH22 ARG A 63 -20.464 2.880 -13.366 1.00 1.44 H new ATOM 857 N LYS A 64 -12.610 9.150 -16.452 1.00 22.14 N ATOM 858 CA LYS A 64 -11.651 9.863 -17.365 1.00 45.53 C ATOM 859 C LYS A 64 -10.617 8.896 -17.926 1.00 64.32 C ATOM 860 O LYS A 64 -10.371 8.842 -19.117 1.00 61.51 O ATOM 861 CB LYS A 64 -10.794 10.901 -16.603 1.00 72.32 C ATOM 862 CG LYS A 64 -11.478 12.097 -16.007 1.00 63.14 C ATOM 863 CD LYS A 64 -10.472 13.012 -15.243 1.00 53.40 C ATOM 864 CE LYS A 64 -9.810 12.344 -13.992 1.00 10.41 C ATOM 865 NZ LYS A 64 -8.655 11.426 -14.271 1.00 24.24 N1+ ATOM 0 H LYS A 64 -12.778 9.639 -15.573 1.00 22.14 H new ATOM 0 HA LYS A 64 -12.275 10.322 -18.132 1.00 45.53 H new ATOM 0 HB2 LYS A 64 -10.279 10.378 -15.797 1.00 72.32 H new ATOM 0 HB3 LYS A 64 -10.028 11.265 -17.288 1.00 72.32 H new ATOM 0 HG2 LYS A 64 -11.964 12.670 -16.797 1.00 63.14 H new ATOM 0 HG3 LYS A 64 -12.261 11.767 -15.324 1.00 63.14 H new ATOM 0 HD2 LYS A 64 -9.686 13.322 -15.932 1.00 53.40 H new ATOM 0 HD3 LYS A 64 -10.992 13.916 -14.925 1.00 53.40 H new ATOM 0 HE2 LYS A 64 -9.468 13.133 -13.322 1.00 10.41 H new ATOM 0 HE3 LYS A 64 -10.575 11.781 -13.458 1.00 10.41 H new ATOM 0 HZ1 LYS A 64 -8.695 10.611 -13.626 1.00 24.24 H new ATOM 0 HZ2 LYS A 64 -8.707 11.092 -15.254 1.00 24.24 H new ATOM 0 HZ3 LYS A 64 -7.762 11.938 -14.126 1.00 24.24 H new ATOM 879 N ASN A 65 -10.018 8.145 -17.023 1.00 31.40 N ATOM 880 CA ASN A 65 -8.897 7.271 -17.353 1.00 1.50 C ATOM 881 C ASN A 65 -9.383 5.866 -17.530 1.00 33.12 C ATOM 882 O ASN A 65 -8.593 4.942 -17.647 1.00 24.40 O ATOM 883 CB ASN A 65 -7.847 7.279 -16.223 1.00 30.21 C ATOM 884 CG ASN A 65 -7.216 8.637 -15.922 1.00 23.04 C ATOM 885 OD1 ASN A 65 -7.810 9.693 -16.153 1.00 62.31 O ATOM 886 ND2 ASN A 65 -6.042 8.619 -15.347 1.00 25.44 N ATOM 0 H ASN A 65 -10.290 8.120 -16.040 1.00 31.40 H new ATOM 0 HA ASN A 65 -8.445 7.638 -18.275 1.00 1.50 H new ATOM 0 HB2 ASN A 65 -8.316 6.906 -15.312 1.00 30.21 H new ATOM 0 HB3 ASN A 65 -7.053 6.579 -16.483 1.00 30.21 H new ATOM 0 HD21 ASN A 65 -5.593 9.494 -15.077 1.00 25.44 H new ATOM 0 HD22 ASN A 65 -5.575 7.730 -15.169 1.00 25.44 H new ATOM 893 N GLY A 66 -10.680 5.707 -17.547 1.00 10.41 N ATOM 894 CA GLY A 66 -11.251 4.405 -17.652 1.00 70.12 C ATOM 895 C GLY A 66 -11.290 3.687 -16.323 1.00 4.04 C ATOM 896 O GLY A 66 -11.226 2.456 -16.280 1.00 24.24 O ATOM 0 H GLY A 66 -11.356 6.469 -17.489 1.00 10.41 H new ATOM 0 HA2 GLY A 66 -12.263 4.485 -18.049 1.00 70.12 H new ATOM 0 HA3 GLY A 66 -10.675 3.815 -18.365 1.00 70.12 H new ATOM 900 N TYR A 67 -11.376 4.441 -15.217 1.00 11.23 N ATOM 901 CA TYR A 67 -11.496 3.797 -13.929 1.00 51.52 C ATOM 902 C TYR A 67 -12.851 3.217 -13.785 1.00 62.42 C ATOM 903 O TYR A 67 -13.828 3.695 -14.376 1.00 62.25 O ATOM 904 CB TYR A 67 -11.112 4.671 -12.735 1.00 44.42 C ATOM 905 CG TYR A 67 -9.671 5.043 -12.754 1.00 1.01 C ATOM 906 CD1 TYR A 67 -9.273 6.363 -12.757 1.00 31.12 C ATOM 907 CD2 TYR A 67 -8.706 4.062 -12.845 1.00 20.11 C ATOM 908 CE1 TYR A 67 -7.944 6.692 -12.858 1.00 44.24 C ATOM 909 CE2 TYR A 67 -7.386 4.378 -12.922 1.00 71.11 C ATOM 910 CZ TYR A 67 -7.002 5.691 -12.936 1.00 24.00 C ATOM 911 OH TYR A 67 -5.676 6.005 -13.084 1.00 54.15 O ATOM 0 H TYR A 67 -11.364 5.461 -15.199 1.00 11.23 H new ATOM 0 HA TYR A 67 -10.755 2.998 -13.912 1.00 51.52 H new ATOM 0 HB2 TYR A 67 -11.720 5.576 -12.738 1.00 44.42 H new ATOM 0 HB3 TYR A 67 -11.337 4.140 -11.810 1.00 44.42 H new ATOM 0 HD1 TYR A 67 -10.013 7.145 -12.679 1.00 31.12 H new ATOM 0 HD2 TYR A 67 -9.004 3.024 -12.855 1.00 20.11 H new ATOM 0 HE1 TYR A 67 -7.640 7.728 -12.876 1.00 44.24 H new ATOM 0 HE2 TYR A 67 -6.643 3.595 -12.972 1.00 71.11 H new ATOM 0 HH TYR A 67 -5.220 5.915 -12.221 1.00 54.15 H new ATOM 921 N ARG A 68 -12.941 2.252 -12.964 1.00 74.20 N ATOM 922 CA ARG A 68 -14.118 1.412 -12.981 1.00 1.22 C ATOM 923 C ARG A 68 -14.708 1.257 -11.624 1.00 41.30 C ATOM 924 O ARG A 68 -14.430 0.287 -10.918 1.00 60.50 O ATOM 925 CB ARG A 68 -13.824 0.035 -13.650 1.00 34.03 C ATOM 926 CG ARG A 68 -13.490 0.126 -15.147 1.00 3.34 C ATOM 927 CD ARG A 68 -13.169 -1.237 -15.781 1.00 52.15 C ATOM 928 NE ARG A 68 -11.901 -1.823 -15.299 1.00 32.21 N ATOM 929 CZ ARG A 68 -11.252 -2.877 -15.870 1.00 65.12 C ATOM 930 NH1 ARG A 68 -11.704 -3.454 -16.980 1.00 62.11 N1+ ATOM 931 NH2 ARG A 68 -10.130 -3.315 -15.364 1.00 52.34 N ATOM 0 H ARG A 68 -12.236 2.005 -12.269 1.00 74.20 H new ATOM 0 HA ARG A 68 -14.867 1.915 -13.593 1.00 1.22 H new ATOM 0 HB2 ARG A 68 -12.991 -0.439 -13.131 1.00 34.03 H new ATOM 0 HB3 ARG A 68 -14.691 -0.613 -13.520 1.00 34.03 H new ATOM 0 HG2 ARG A 68 -14.332 0.575 -15.674 1.00 3.34 H new ATOM 0 HG3 ARG A 68 -12.638 0.792 -15.282 1.00 3.34 H new ATOM 0 HD2 ARG A 68 -13.984 -1.929 -15.570 1.00 52.15 H new ATOM 0 HD3 ARG A 68 -13.120 -1.123 -16.864 1.00 52.15 H new ATOM 0 HE ARG A 68 -11.477 -1.405 -14.471 1.00 32.21 H new ATOM 0 HH11 ARG A 68 -12.555 -3.109 -17.424 1.00 62.11 H new ATOM 0 HH12 ARG A 68 -11.200 -4.241 -17.387 1.00 62.11 H new ATOM 0 HH21 ARG A 68 -9.735 -2.868 -14.537 1.00 52.34 H new ATOM 0 HH22 ARG A 68 -9.649 -4.104 -15.796 1.00 52.34 H new ATOM 945 N LEU A 69 -15.495 2.227 -11.233 1.00 73.52 N ATOM 946 CA LEU A 69 -16.108 2.194 -9.914 1.00 30.33 C ATOM 947 C LEU A 69 -17.597 2.396 -10.000 1.00 41.11 C ATOM 948 O LEU A 69 -18.105 2.996 -10.976 1.00 30.15 O ATOM 949 CB LEU A 69 -15.517 3.282 -8.994 1.00 53.33 C ATOM 950 CG LEU A 69 -14.015 3.216 -8.704 1.00 22.25 C ATOM 951 CD1 LEU A 69 -13.619 4.294 -7.713 1.00 22.22 C ATOM 952 CD2 LEU A 69 -13.638 1.858 -8.171 1.00 23.42 C ATOM 0 H LEU A 69 -15.729 3.044 -11.796 1.00 73.52 H new ATOM 0 HA LEU A 69 -15.897 1.210 -9.495 1.00 30.33 H new ATOM 0 HB2 LEU A 69 -15.732 4.253 -9.439 1.00 53.33 H new ATOM 0 HB3 LEU A 69 -16.046 3.243 -8.042 1.00 53.33 H new ATOM 0 HG LEU A 69 -13.479 3.384 -9.638 1.00 22.25 H new ATOM 0 HD11 LEU A 69 -12.548 4.233 -7.518 1.00 22.22 H new ATOM 0 HD12 LEU A 69 -13.857 5.274 -8.127 1.00 22.22 H new ATOM 0 HD13 LEU A 69 -14.166 4.151 -6.781 1.00 22.22 H new ATOM 0 HD21 LEU A 69 -12.567 1.830 -7.971 1.00 23.42 H new ATOM 0 HD22 LEU A 69 -14.185 1.665 -7.248 1.00 23.42 H new ATOM 0 HD23 LEU A 69 -13.889 1.095 -8.908 1.00 23.42 H new ATOM 964 N THR A 70 -18.307 1.868 -9.029 1.00 12.33 N ATOM 965 CA THR A 70 -19.687 2.166 -8.881 1.00 12.24 C ATOM 966 C THR A 70 -19.818 2.936 -7.583 1.00 11.42 C ATOM 967 O THR A 70 -19.123 2.640 -6.612 1.00 44.03 O ATOM 968 CB THR A 70 -20.613 0.895 -8.874 1.00 54.22 C ATOM 969 OG1 THR A 70 -20.318 0.024 -7.769 1.00 4.03 O ATOM 970 CG2 THR A 70 -20.483 0.116 -10.178 1.00 72.12 C ATOM 0 H THR A 70 -17.934 1.225 -8.331 1.00 12.33 H new ATOM 0 HA THR A 70 -20.024 2.745 -9.741 1.00 12.24 H new ATOM 0 HB THR A 70 -21.637 1.254 -8.768 1.00 54.22 H new ATOM 0 HG1 THR A 70 -19.394 -0.296 -7.842 1.00 4.03 H new ATOM 0 HG21 THR A 70 -21.134 -0.758 -10.146 1.00 72.12 H new ATOM 0 HG22 THR A 70 -20.772 0.754 -11.013 1.00 72.12 H new ATOM 0 HG23 THR A 70 -19.450 -0.206 -10.308 1.00 72.12 H new ATOM 978 N LEU A 71 -20.685 3.913 -7.552 1.00 53.34 N ATOM 979 CA LEU A 71 -20.833 4.764 -6.375 1.00 54.22 C ATOM 980 C LEU A 71 -21.393 3.960 -5.213 1.00 11.42 C ATOM 981 O LEU A 71 -21.192 4.292 -4.059 1.00 50.13 O ATOM 982 CB LEU A 71 -21.737 5.890 -6.700 1.00 44.23 C ATOM 983 CG LEU A 71 -21.725 7.070 -5.766 1.00 32.22 C ATOM 984 CD1 LEU A 71 -20.328 7.590 -5.673 1.00 20.21 C ATOM 985 CD2 LEU A 71 -22.669 8.139 -6.280 1.00 14.54 C ATOM 0 H LEU A 71 -21.307 4.149 -8.325 1.00 53.34 H new ATOM 0 HA LEU A 71 -19.858 5.154 -6.085 1.00 54.22 H new ATOM 0 HB2 LEU A 71 -21.487 6.247 -7.699 1.00 44.23 H new ATOM 0 HB3 LEU A 71 -22.755 5.504 -6.745 1.00 44.23 H new ATOM 0 HG LEU A 71 -22.062 6.772 -4.773 1.00 32.22 H new ATOM 0 HD11 LEU A 71 -20.303 8.446 -4.999 1.00 20.21 H new ATOM 0 HD12 LEU A 71 -19.673 6.807 -5.290 1.00 20.21 H new ATOM 0 HD13 LEU A 71 -19.987 7.896 -6.662 1.00 20.21 H new ATOM 0 HD21 LEU A 71 -22.657 8.992 -5.601 1.00 14.54 H new ATOM 0 HD22 LEU A 71 -22.350 8.460 -7.271 1.00 14.54 H new ATOM 0 HD23 LEU A 71 -23.680 7.735 -6.338 1.00 14.54 H new ATOM 997 N ARG A 72 -22.084 2.887 -5.571 1.00 4.24 N ATOM 998 CA ARG A 72 -22.627 1.871 -4.660 1.00 45.44 C ATOM 999 C ARG A 72 -21.587 1.468 -3.602 1.00 10.23 C ATOM 1000 O ARG A 72 -21.906 1.242 -2.443 1.00 3.14 O ATOM 1001 CB ARG A 72 -22.936 0.641 -5.523 1.00 1.44 C ATOM 1002 CG ARG A 72 -23.270 -0.632 -4.764 1.00 60.00 C ATOM 1003 CD ARG A 72 -23.197 -1.845 -5.689 1.00 13.12 C ATOM 1004 NE ARG A 72 -21.849 -1.986 -6.309 1.00 22.02 N ATOM 1005 CZ ARG A 72 -21.176 -3.138 -6.481 1.00 34.51 C ATOM 1006 NH1 ARG A 72 -21.712 -4.302 -6.086 1.00 43.31 N1+ ATOM 1007 NH2 ARG A 72 -19.963 -3.118 -7.045 1.00 13.25 N ATOM 0 H ARG A 72 -22.295 2.685 -6.548 1.00 4.24 H new ATOM 0 HA ARG A 72 -23.506 2.258 -4.145 1.00 45.44 H new ATOM 0 HB2 ARG A 72 -23.773 0.881 -6.178 1.00 1.44 H new ATOM 0 HB3 ARG A 72 -22.076 0.445 -6.164 1.00 1.44 H new ATOM 0 HG2 ARG A 72 -22.576 -0.759 -3.933 1.00 60.00 H new ATOM 0 HG3 ARG A 72 -24.269 -0.555 -4.335 1.00 60.00 H new ATOM 0 HD2 ARG A 72 -23.434 -2.747 -5.125 1.00 13.12 H new ATOM 0 HD3 ARG A 72 -23.950 -1.751 -6.472 1.00 13.12 H new ATOM 0 HE ARG A 72 -21.396 -1.131 -6.632 1.00 22.02 H new ATOM 0 HH11 ARG A 72 -22.635 -4.317 -5.652 1.00 43.31 H new ATOM 0 HH12 ARG A 72 -21.197 -5.172 -6.219 1.00 43.31 H new ATOM 0 HH21 ARG A 72 -19.553 -2.232 -7.342 1.00 13.25 H new ATOM 0 HH22 ARG A 72 -19.448 -3.988 -7.178 1.00 13.25 H new ATOM 1021 N GLU A 73 -20.352 1.452 -4.023 1.00 75.24 N ATOM 1022 CA GLU A 73 -19.246 0.967 -3.196 1.00 51.12 C ATOM 1023 C GLU A 73 -18.720 2.076 -2.316 1.00 42.44 C ATOM 1024 O GLU A 73 -18.249 1.849 -1.201 1.00 23.44 O ATOM 1025 CB GLU A 73 -18.149 0.470 -4.114 1.00 24.23 C ATOM 1026 CG GLU A 73 -18.607 -0.649 -5.010 1.00 22.34 C ATOM 1027 CD GLU A 73 -17.675 -0.907 -6.152 1.00 42.24 C ATOM 1028 OE1 GLU A 73 -16.820 -1.789 -6.058 1.00 40.20 O ATOM 1029 OE2 GLU A 73 -17.827 -0.240 -7.213 1.00 45.00 O1- ATOM 0 H GLU A 73 -20.068 1.772 -4.949 1.00 75.24 H new ATOM 0 HA GLU A 73 -19.593 0.159 -2.551 1.00 51.12 H new ATOM 0 HB2 GLU A 73 -17.790 1.297 -4.726 1.00 24.23 H new ATOM 0 HB3 GLU A 73 -17.305 0.128 -3.514 1.00 24.23 H new ATOM 0 HG2 GLU A 73 -18.710 -1.560 -4.420 1.00 22.34 H new ATOM 0 HG3 GLU A 73 -19.595 -0.410 -5.403 1.00 22.34 H new ATOM 1036 N LEU A 74 -18.876 3.274 -2.799 1.00 62.31 N ATOM 1037 CA LEU A 74 -18.345 4.445 -2.154 1.00 13.42 C ATOM 1038 C LEU A 74 -19.275 4.890 -1.026 1.00 54.31 C ATOM 1039 O LEU A 74 -18.873 5.631 -0.129 1.00 72.34 O ATOM 1040 CB LEU A 74 -18.126 5.541 -3.201 1.00 64.15 C ATOM 1041 CG LEU A 74 -17.329 5.094 -4.463 1.00 62.54 C ATOM 1042 CD1 LEU A 74 -17.045 6.250 -5.385 1.00 43.52 C ATOM 1043 CD2 LEU A 74 -16.039 4.378 -4.094 1.00 12.44 C ATOM 0 H LEU A 74 -19.382 3.470 -3.663 1.00 62.31 H new ATOM 0 HA LEU A 74 -17.380 4.222 -1.699 1.00 13.42 H new ATOM 0 HB2 LEU A 74 -19.098 5.919 -3.518 1.00 64.15 H new ATOM 0 HB3 LEU A 74 -17.599 6.371 -2.731 1.00 64.15 H new ATOM 0 HG LEU A 74 -17.965 4.387 -4.996 1.00 62.54 H new ATOM 0 HD11 LEU A 74 -16.488 5.895 -6.252 1.00 43.52 H new ATOM 0 HD12 LEU A 74 -17.985 6.693 -5.714 1.00 43.52 H new ATOM 0 HD13 LEU A 74 -16.456 7.000 -4.857 1.00 43.52 H new ATOM 0 HD21 LEU A 74 -15.514 4.083 -5.002 1.00 12.44 H new ATOM 0 HD22 LEU A 74 -15.406 5.046 -3.510 1.00 12.44 H new ATOM 0 HD23 LEU A 74 -16.271 3.491 -3.505 1.00 12.44 H new ATOM 1055 N TYR A 75 -20.526 4.438 -1.099 1.00 72.22 N ATOM 1056 CA TYR A 75 -21.483 4.621 -0.012 1.00 32.14 C ATOM 1057 C TYR A 75 -21.231 3.579 1.063 1.00 24.01 C ATOM 1058 O TYR A 75 -21.358 3.858 2.248 1.00 41.10 O ATOM 1059 CB TYR A 75 -22.932 4.444 -0.482 1.00 63.34 C ATOM 1060 CG TYR A 75 -23.573 5.590 -1.217 1.00 55.44 C ATOM 1061 CD1 TYR A 75 -23.495 5.702 -2.589 1.00 20.14 C ATOM 1062 CD2 TYR A 75 -24.319 6.532 -0.523 1.00 10.33 C ATOM 1063 CE1 TYR A 75 -24.138 6.720 -3.256 1.00 33.13 C ATOM 1064 CE2 TYR A 75 -24.957 7.559 -1.180 1.00 74.40 C ATOM 1065 CZ TYR A 75 -24.865 7.647 -2.548 1.00 71.32 C ATOM 1066 OH TYR A 75 -25.521 8.649 -3.212 1.00 43.45 O ATOM 0 H TYR A 75 -20.901 3.939 -1.906 1.00 72.22 H new ATOM 0 HA TYR A 75 -21.348 5.635 0.363 1.00 32.14 H new ATOM 0 HB2 TYR A 75 -22.970 3.567 -1.129 1.00 63.34 H new ATOM 0 HB3 TYR A 75 -23.544 4.222 0.392 1.00 63.34 H new ATOM 0 HD1 TYR A 75 -22.920 4.979 -3.149 1.00 20.14 H new ATOM 0 HD2 TYR A 75 -24.400 6.458 0.551 1.00 10.33 H new ATOM 0 HE1 TYR A 75 -24.072 6.790 -4.332 1.00 33.13 H new ATOM 0 HE2 TYR A 75 -25.526 8.290 -0.625 1.00 74.40 H new ATOM 0 HH TYR A 75 -26.451 8.690 -2.906 1.00 43.45 H new ATOM 1076 N ALA A 76 -20.884 2.369 0.619 1.00 42.22 N ATOM 1077 CA ALA A 76 -20.661 1.238 1.511 1.00 54.43 C ATOM 1078 C ALA A 76 -19.469 1.486 2.415 1.00 73.50 C ATOM 1079 O ALA A 76 -19.532 1.259 3.621 1.00 64.12 O ATOM 1080 CB ALA A 76 -20.472 -0.043 0.708 1.00 32.11 C ATOM 0 H ALA A 76 -20.751 2.150 -0.368 1.00 42.22 H new ATOM 0 HA ALA A 76 -21.542 1.123 2.143 1.00 54.43 H new ATOM 0 HB1 ALA A 76 -20.307 -0.878 1.389 1.00 32.11 H new ATOM 0 HB2 ALA A 76 -21.364 -0.233 0.111 1.00 32.11 H new ATOM 0 HB3 ALA A 76 -19.610 0.064 0.049 1.00 32.11 H new ATOM 1086 N ALA A 77 -18.391 1.944 1.836 1.00 24.11 N ATOM 1087 CA ALA A 77 -17.228 2.277 2.605 1.00 23.43 C ATOM 1088 C ALA A 77 -16.773 3.680 2.257 1.00 51.45 C ATOM 1089 O ALA A 77 -15.931 3.875 1.367 1.00 62.42 O ATOM 1090 CB ALA A 77 -16.110 1.262 2.393 1.00 74.23 C ATOM 0 H ALA A 77 -18.297 2.094 0.832 1.00 24.11 H new ATOM 0 HA ALA A 77 -17.488 2.244 3.663 1.00 23.43 H new ATOM 0 HB1 ALA A 77 -15.244 1.545 2.991 1.00 74.23 H new ATOM 0 HB2 ALA A 77 -16.454 0.273 2.697 1.00 74.23 H new ATOM 0 HB3 ALA A 77 -15.833 1.241 1.339 1.00 74.23 H new ATOM 1096 N PRO A 78 -17.338 4.702 2.909 1.00 62.52 N ATOM 1097 CA PRO A 78 -16.989 6.052 2.609 1.00 43.01 C ATOM 1098 C PRO A 78 -15.723 6.468 3.323 1.00 61.41 C ATOM 1099 O PRO A 78 -15.754 7.034 4.406 1.00 75.43 O ATOM 1100 CB PRO A 78 -18.183 6.875 3.105 1.00 25.25 C ATOM 1101 CG PRO A 78 -19.099 5.911 3.811 1.00 43.44 C ATOM 1102 CD PRO A 78 -18.350 4.618 3.964 1.00 21.43 C ATOM 0 HA PRO A 78 -16.792 6.194 1.546 1.00 43.01 H new ATOM 0 HB2 PRO A 78 -17.856 7.666 3.780 1.00 25.25 H new ATOM 0 HB3 PRO A 78 -18.695 7.358 2.272 1.00 25.25 H new ATOM 0 HG2 PRO A 78 -19.393 6.303 4.785 1.00 43.44 H new ATOM 0 HG3 PRO A 78 -20.014 5.760 3.238 1.00 43.44 H new ATOM 0 HD2 PRO A 78 -17.898 4.527 4.952 1.00 21.43 H new ATOM 0 HD3 PRO A 78 -19.002 3.755 3.831 1.00 21.43 H new ATOM 1110 N THR A 79 -14.631 6.181 2.700 1.00 24.25 N ATOM 1111 CA THR A 79 -13.316 6.505 3.170 1.00 74.31 C ATOM 1112 C THR A 79 -12.453 6.604 1.977 1.00 35.24 C ATOM 1113 O THR A 79 -12.629 5.810 1.054 1.00 72.25 O ATOM 1114 CB THR A 79 -12.751 5.398 4.087 1.00 72.21 C ATOM 1115 OG1 THR A 79 -13.153 4.108 3.598 1.00 62.41 O ATOM 1116 CG2 THR A 79 -13.177 5.582 5.522 1.00 22.43 C ATOM 0 H THR A 79 -14.625 5.691 1.806 1.00 24.25 H new ATOM 0 HA THR A 79 -13.351 7.431 3.744 1.00 74.31 H new ATOM 0 HB THR A 79 -11.663 5.467 4.067 1.00 72.21 H new ATOM 0 HG1 THR A 79 -13.139 4.111 2.618 1.00 62.41 H new ATOM 0 HG21 THR A 79 -12.757 4.782 6.132 1.00 22.43 H new ATOM 0 HG22 THR A 79 -12.817 6.544 5.888 1.00 22.43 H new ATOM 0 HG23 THR A 79 -14.265 5.554 5.585 1.00 22.43 H new ATOM 1124 N LEU A 80 -11.551 7.553 1.964 1.00 73.32 N ATOM 1125 CA LEU A 80 -10.655 7.740 0.837 1.00 72.24 C ATOM 1126 C LEU A 80 -9.984 6.450 0.438 1.00 74.43 C ATOM 1127 O LEU A 80 -9.939 6.108 -0.741 1.00 73.20 O ATOM 1128 CB LEU A 80 -9.572 8.666 1.197 1.00 52.22 C ATOM 1129 CG LEU A 80 -9.906 10.107 1.392 1.00 64.33 C ATOM 1130 CD1 LEU A 80 -8.661 10.796 1.810 1.00 35.54 C ATOM 1131 CD2 LEU A 80 -10.398 10.717 0.102 1.00 34.14 C ATOM 0 H LEU A 80 -11.413 8.217 2.726 1.00 73.32 H new ATOM 0 HA LEU A 80 -11.265 8.123 0.019 1.00 72.24 H new ATOM 0 HB2 LEU A 80 -9.117 8.303 2.119 1.00 52.22 H new ATOM 0 HB3 LEU A 80 -8.810 8.604 0.420 1.00 52.22 H new ATOM 0 HG LEU A 80 -10.691 10.210 2.141 1.00 64.33 H new ATOM 0 HD11 LEU A 80 -8.865 11.856 1.963 1.00 35.54 H new ATOM 0 HD12 LEU A 80 -8.298 10.359 2.740 1.00 35.54 H new ATOM 0 HD13 LEU A 80 -7.904 10.681 1.035 1.00 35.54 H new ATOM 0 HD21 LEU A 80 -10.637 11.768 0.264 1.00 34.14 H new ATOM 0 HD22 LEU A 80 -9.622 10.634 -0.659 1.00 34.14 H new ATOM 0 HD23 LEU A 80 -11.291 10.190 -0.232 1.00 34.14 H new ATOM 1143 N ALA A 81 -9.444 5.778 1.445 1.00 62.12 N ATOM 1144 CA ALA A 81 -8.742 4.497 1.317 1.00 64.11 C ATOM 1145 C ALA A 81 -9.487 3.501 0.454 1.00 52.21 C ATOM 1146 O ALA A 81 -8.904 2.895 -0.429 1.00 51.21 O ATOM 1147 CB ALA A 81 -8.489 3.889 2.690 1.00 4.25 C ATOM 0 H ALA A 81 -9.481 6.116 2.407 1.00 62.12 H new ATOM 0 HA ALA A 81 -7.794 4.713 0.824 1.00 64.11 H new ATOM 0 HB1 ALA A 81 -7.967 2.939 2.577 1.00 4.25 H new ATOM 0 HB2 ALA A 81 -7.878 4.570 3.283 1.00 4.25 H new ATOM 0 HB3 ALA A 81 -9.440 3.722 3.195 1.00 4.25 H new ATOM 1153 N ALA A 82 -10.778 3.358 0.686 1.00 11.24 N ATOM 1154 CA ALA A 82 -11.567 2.394 -0.053 1.00 63.21 C ATOM 1155 C ALA A 82 -11.722 2.809 -1.503 1.00 64.31 C ATOM 1156 O ALA A 82 -11.454 2.016 -2.372 1.00 54.35 O ATOM 1157 CB ALA A 82 -12.923 2.180 0.592 1.00 11.35 C ATOM 0 H ALA A 82 -11.300 3.895 1.378 1.00 11.24 H new ATOM 0 HA ALA A 82 -11.030 1.446 -0.028 1.00 63.21 H new ATOM 0 HB1 ALA A 82 -13.490 1.451 0.013 1.00 11.35 H new ATOM 0 HB2 ALA A 82 -12.788 1.810 1.609 1.00 11.35 H new ATOM 0 HB3 ALA A 82 -13.466 3.124 0.618 1.00 11.35 H new ATOM 1163 N TRP A 83 -12.098 4.077 -1.761 1.00 75.31 N ATOM 1164 CA TRP A 83 -12.309 4.549 -3.157 1.00 63.31 C ATOM 1165 C TRP A 83 -10.985 4.398 -3.921 1.00 65.33 C ATOM 1166 O TRP A 83 -10.951 4.010 -5.090 1.00 32.22 O ATOM 1167 CB TRP A 83 -12.727 6.047 -3.241 1.00 30.11 C ATOM 1168 CG TRP A 83 -13.883 6.531 -2.416 1.00 1.03 C ATOM 1169 CD1 TRP A 83 -14.327 6.083 -1.220 1.00 54.25 C ATOM 1170 CD2 TRP A 83 -14.699 7.642 -2.750 1.00 33.13 C ATOM 1171 NE1 TRP A 83 -15.422 6.808 -0.824 1.00 52.34 N ATOM 1172 CE2 TRP A 83 -15.665 7.775 -1.751 1.00 32.35 C ATOM 1173 CE3 TRP A 83 -14.712 8.521 -3.824 1.00 45.42 C ATOM 1174 CZ2 TRP A 83 -16.640 8.761 -1.793 1.00 33.15 C ATOM 1175 CZ3 TRP A 83 -15.669 9.500 -3.869 1.00 15.52 C ATOM 1176 CH2 TRP A 83 -16.622 9.614 -2.863 1.00 10.55 C ATOM 0 H TRP A 83 -12.261 4.784 -1.044 1.00 75.31 H new ATOM 0 HA TRP A 83 -13.115 3.950 -3.581 1.00 63.31 H new ATOM 0 HB2 TRP A 83 -11.857 6.646 -2.971 1.00 30.11 H new ATOM 0 HB3 TRP A 83 -12.954 6.267 -4.284 1.00 30.11 H new ATOM 0 HD1 TRP A 83 -13.884 5.273 -0.659 1.00 54.25 H new ATOM 0 HE1 TRP A 83 -15.965 6.649 0.025 1.00 52.34 H new ATOM 0 HE3 TRP A 83 -13.979 8.434 -4.612 1.00 45.42 H new ATOM 0 HZ2 TRP A 83 -17.382 8.852 -1.014 1.00 33.15 H new ATOM 0 HZ3 TRP A 83 -15.683 10.193 -4.697 1.00 15.52 H new ATOM 0 HH2 TRP A 83 -17.366 10.394 -2.928 1.00 10.55 H new ATOM 1187 N ASN A 84 -9.909 4.701 -3.206 1.00 72.22 N ATOM 1188 CA ASN A 84 -8.529 4.604 -3.682 1.00 10.42 C ATOM 1189 C ASN A 84 -8.207 3.163 -4.046 1.00 12.24 C ATOM 1190 O ASN A 84 -7.945 2.847 -5.204 1.00 53.14 O ATOM 1191 CB ASN A 84 -7.593 5.117 -2.556 1.00 72.14 C ATOM 1192 CG ASN A 84 -6.102 5.050 -2.845 1.00 22.45 C ATOM 1193 OD1 ASN A 84 -5.669 5.096 -3.980 1.00 60.11 O ATOM 1194 ND2 ASN A 84 -5.307 5.029 -1.796 1.00 11.20 N ATOM 0 H ASN A 84 -9.972 5.033 -2.244 1.00 72.22 H new ATOM 0 HA ASN A 84 -8.388 5.211 -4.576 1.00 10.42 H new ATOM 0 HB2 ASN A 84 -7.854 6.152 -2.338 1.00 72.14 H new ATOM 0 HB3 ASN A 84 -7.794 4.540 -1.653 1.00 72.14 H new ATOM 0 HD21 ASN A 84 -4.295 5.051 -1.922 1.00 11.20 H new ATOM 0 HD22 ASN A 84 -5.703 4.990 -0.857 1.00 11.20 H new ATOM 1201 N GLN A 85 -8.332 2.286 -3.068 1.00 71.31 N ATOM 1202 CA GLN A 85 -8.033 0.868 -3.211 1.00 72.41 C ATOM 1203 C GLN A 85 -8.972 0.183 -4.224 1.00 73.41 C ATOM 1204 O GLN A 85 -8.599 -0.816 -4.857 1.00 23.04 O ATOM 1205 CB GLN A 85 -8.095 0.207 -1.832 1.00 22.22 C ATOM 1206 CG GLN A 85 -7.799 -1.278 -1.774 1.00 71.22 C ATOM 1207 CD GLN A 85 -6.396 -1.652 -2.295 1.00 1.43 C ATOM 1208 OE1 GLN A 85 -5.413 -1.669 -1.547 1.00 14.11 O ATOM 1209 NE2 GLN A 85 -6.301 -1.967 -3.566 1.00 13.13 N ATOM 0 H GLN A 85 -8.650 2.541 -2.133 1.00 71.31 H new ATOM 0 HA GLN A 85 -7.027 0.753 -3.614 1.00 72.41 H new ATOM 0 HB2 GLN A 85 -7.391 0.720 -1.177 1.00 22.22 H new ATOM 0 HB3 GLN A 85 -9.091 0.372 -1.420 1.00 22.22 H new ATOM 0 HG2 GLN A 85 -7.897 -1.619 -0.743 1.00 71.22 H new ATOM 0 HG3 GLN A 85 -8.548 -1.812 -2.359 1.00 71.22 H new ATOM 0 HE21 GLN A 85 -7.130 -1.944 -4.160 1.00 13.13 H new ATOM 0 HE22 GLN A 85 -5.399 -2.235 -3.959 1.00 13.13 H new ATOM 1218 N LEU A 86 -10.161 0.721 -4.399 1.00 5.25 N ATOM 1219 CA LEU A 86 -11.092 0.199 -5.375 1.00 34.31 C ATOM 1220 C LEU A 86 -10.598 0.412 -6.805 1.00 35.41 C ATOM 1221 O LEU A 86 -10.925 -0.370 -7.699 1.00 15.34 O ATOM 1222 CB LEU A 86 -12.495 0.740 -5.169 1.00 40.14 C ATOM 1223 CG LEU A 86 -13.218 0.236 -3.920 1.00 63.21 C ATOM 1224 CD1 LEU A 86 -14.541 0.921 -3.780 1.00 1.32 C ATOM 1225 CD2 LEU A 86 -13.415 -1.275 -3.968 1.00 20.51 C ATOM 0 H LEU A 86 -10.506 1.525 -3.874 1.00 5.25 H new ATOM 0 HA LEU A 86 -11.146 -0.878 -5.217 1.00 34.31 H new ATOM 0 HB2 LEU A 86 -12.443 1.828 -5.123 1.00 40.14 H new ATOM 0 HB3 LEU A 86 -13.095 0.486 -6.043 1.00 40.14 H new ATOM 0 HG LEU A 86 -12.598 0.470 -3.054 1.00 63.21 H new ATOM 0 HD11 LEU A 86 -15.048 0.555 -2.887 1.00 1.32 H new ATOM 0 HD12 LEU A 86 -14.387 1.997 -3.694 1.00 1.32 H new ATOM 0 HD13 LEU A 86 -15.154 0.711 -4.657 1.00 1.32 H new ATOM 0 HD21 LEU A 86 -13.932 -1.603 -3.066 1.00 20.51 H new ATOM 0 HD22 LEU A 86 -14.010 -1.537 -4.843 1.00 20.51 H new ATOM 0 HD23 LEU A 86 -12.444 -1.767 -4.029 1.00 20.51 H new ATOM 1237 N MET A 87 -9.756 1.430 -7.021 1.00 24.52 N ATOM 1238 CA MET A 87 -9.143 1.618 -8.338 1.00 55.04 C ATOM 1239 C MET A 87 -8.124 0.547 -8.587 1.00 73.34 C ATOM 1240 O MET A 87 -7.778 0.274 -9.703 1.00 65.12 O ATOM 1241 CB MET A 87 -8.456 2.970 -8.528 1.00 20.11 C ATOM 1242 CG MET A 87 -9.366 4.156 -8.669 1.00 55.14 C ATOM 1243 SD MET A 87 -8.432 5.616 -9.150 1.00 4.22 S ATOM 1244 CE MET A 87 -9.748 6.779 -9.424 1.00 4.01 C ATOM 0 H MET A 87 -9.489 2.120 -6.319 1.00 24.52 H new ATOM 0 HA MET A 87 -9.970 1.569 -9.046 1.00 55.04 H new ATOM 0 HB2 MET A 87 -7.796 3.142 -7.678 1.00 20.11 H new ATOM 0 HB3 MET A 87 -7.825 2.913 -9.415 1.00 20.11 H new ATOM 0 HG2 MET A 87 -10.133 3.946 -9.415 1.00 55.14 H new ATOM 0 HG3 MET A 87 -9.880 4.341 -7.726 1.00 55.14 H new ATOM 0 HE1 MET A 87 -9.340 7.697 -9.848 1.00 4.01 H new ATOM 0 HE2 MET A 87 -10.474 6.351 -10.116 1.00 4.01 H new ATOM 0 HE3 MET A 87 -10.238 7.003 -8.477 1.00 4.01 H new ATOM 1254 N LEU A 88 -7.620 -0.040 -7.538 1.00 23.25 N ATOM 1255 CA LEU A 88 -6.644 -1.101 -7.684 1.00 64.21 C ATOM 1256 C LEU A 88 -7.316 -2.446 -7.685 1.00 21.12 C ATOM 1257 O LEU A 88 -6.695 -3.466 -7.982 1.00 40.14 O ATOM 1258 CB LEU A 88 -5.552 -1.041 -6.631 1.00 23.21 C ATOM 1259 CG LEU A 88 -4.710 0.229 -6.564 1.00 45.43 C ATOM 1260 CD1 LEU A 88 -4.472 0.836 -7.941 1.00 42.01 C ATOM 1261 CD2 LEU A 88 -5.285 1.222 -5.587 1.00 11.44 C ATOM 0 H LEU A 88 -7.862 0.191 -6.575 1.00 23.25 H new ATOM 0 HA LEU A 88 -6.157 -0.952 -8.648 1.00 64.21 H new ATOM 0 HB2 LEU A 88 -6.016 -1.189 -5.656 1.00 23.21 H new ATOM 0 HB3 LEU A 88 -4.879 -1.883 -6.795 1.00 23.21 H new ATOM 0 HG LEU A 88 -3.728 -0.055 -6.186 1.00 45.43 H new ATOM 0 HD11 LEU A 88 -3.868 1.738 -7.842 1.00 42.01 H new ATOM 0 HD12 LEU A 88 -3.949 0.116 -8.570 1.00 42.01 H new ATOM 0 HD13 LEU A 88 -5.429 1.089 -8.398 1.00 42.01 H new ATOM 0 HD21 LEU A 88 -4.660 2.115 -5.565 1.00 11.44 H new ATOM 0 HD22 LEU A 88 -6.294 1.494 -5.896 1.00 11.44 H new ATOM 0 HD23 LEU A 88 -5.317 0.777 -4.592 1.00 11.44 H new ATOM 1273 N SER A 89 -8.578 -2.447 -7.315 1.00 12.32 N ATOM 1274 CA SER A 89 -9.390 -3.618 -7.430 1.00 32.55 C ATOM 1275 C SER A 89 -9.579 -3.893 -8.918 1.00 32.11 C ATOM 1276 O SER A 89 -9.751 -5.034 -9.331 1.00 2.31 O ATOM 1277 CB SER A 89 -10.744 -3.393 -6.718 1.00 3.13 C ATOM 1278 OG SER A 89 -11.647 -4.479 -6.904 1.00 72.03 O ATOM 0 H SER A 89 -9.060 -1.635 -6.929 1.00 12.32 H new ATOM 0 HA SER A 89 -8.917 -4.477 -6.954 1.00 32.55 H new ATOM 0 HB2 SER A 89 -10.570 -3.248 -5.652 1.00 3.13 H new ATOM 0 HB3 SER A 89 -11.200 -2.477 -7.094 1.00 3.13 H new ATOM 0 HG SER A 89 -12.235 -4.553 -6.124 1.00 72.03 H new ATOM 1284 N ARG A 90 -9.585 -2.802 -9.694 1.00 12.40 N ATOM 1285 CA ARG A 90 -9.629 -2.837 -11.129 1.00 72.04 C ATOM 1286 C ARG A 90 -9.318 -1.443 -11.703 1.00 21.42 C ATOM 1287 O ARG A 90 -10.162 -0.527 -11.683 1.00 53.30 O ATOM 1288 CB ARG A 90 -10.969 -3.402 -11.703 1.00 33.54 C ATOM 1289 CG ARG A 90 -12.241 -2.645 -11.317 1.00 51.54 C ATOM 1290 CD ARG A 90 -12.609 -2.817 -9.858 1.00 32.01 C ATOM 1291 NE ARG A 90 -13.705 -1.958 -9.491 1.00 31.52 N ATOM 1292 CZ ARG A 90 -14.422 -2.039 -8.378 1.00 23.11 C ATOM 1293 NH1 ARG A 90 -14.124 -2.909 -7.407 1.00 70.23 N1+ ATOM 1294 NH2 ARG A 90 -15.414 -1.225 -8.222 1.00 72.33 N ATOM 0 H ARG A 90 -9.558 -1.856 -9.315 1.00 12.40 H new ATOM 0 HA ARG A 90 -8.859 -3.539 -11.449 1.00 72.04 H new ATOM 0 HB2 ARG A 90 -10.896 -3.418 -12.790 1.00 33.54 H new ATOM 0 HB3 ARG A 90 -11.073 -4.436 -11.375 1.00 33.54 H new ATOM 0 HG2 ARG A 90 -12.105 -1.585 -11.530 1.00 51.54 H new ATOM 0 HG3 ARG A 90 -13.067 -2.992 -11.938 1.00 51.54 H new ATOM 0 HD2 ARG A 90 -12.879 -3.856 -9.669 1.00 32.01 H new ATOM 0 HD3 ARG A 90 -11.744 -2.594 -9.234 1.00 32.01 H new ATOM 0 HE ARG A 90 -13.953 -1.218 -10.148 1.00 31.52 H new ATOM 0 HH11 ARG A 90 -13.325 -3.535 -7.511 1.00 70.23 H new ATOM 0 HH12 ARG A 90 -14.695 -2.947 -6.563 1.00 70.23 H new ATOM 0 HH21 ARG A 90 -15.630 -0.540 -8.946 1.00 72.33 H new ATOM 0 HH22 ARG A 90 -15.980 -1.268 -7.375 1.00 72.33 H new ATOM 1308 N SER A 91 -8.099 -1.282 -12.150 1.00 2.31 N ATOM 1309 CA SER A 91 -7.639 -0.083 -12.839 1.00 61.21 C ATOM 1310 C SER A 91 -8.105 -0.234 -14.315 1.00 24.42 C ATOM 1311 O SER A 91 -9.027 -1.015 -14.548 1.00 31.51 O ATOM 1312 CB SER A 91 -6.100 -0.058 -12.715 1.00 41.32 C ATOM 1313 OG SER A 91 -5.696 -0.013 -11.348 1.00 42.04 O ATOM 0 H SER A 91 -7.374 -1.992 -12.047 1.00 2.31 H new ATOM 0 HA SER A 91 -8.032 0.848 -12.431 1.00 61.21 H new ATOM 0 HB2 SER A 91 -5.679 -0.943 -13.193 1.00 41.32 H new ATOM 0 HB3 SER A 91 -5.703 0.809 -13.243 1.00 41.32 H new ATOM 0 HG SER A 91 -6.488 0.046 -10.774 1.00 42.04 H new ATOM 1319 N PRO A 92 -7.610 0.518 -15.334 1.00 40.52 N ATOM 1320 CA PRO A 92 -7.935 0.129 -16.689 1.00 23.13 C ATOM 1321 C PRO A 92 -7.121 -1.118 -16.989 1.00 44.41 C ATOM 1322 O PRO A 92 -5.890 -1.059 -17.075 1.00 2.53 O ATOM 1323 CB PRO A 92 -7.450 1.311 -17.548 1.00 52.40 C ATOM 1324 CG PRO A 92 -7.115 2.401 -16.582 1.00 41.44 C ATOM 1325 CD PRO A 92 -6.807 1.737 -15.279 1.00 51.43 C ATOM 0 HA PRO A 92 -8.989 -0.083 -16.867 1.00 23.13 H new ATOM 0 HB2 PRO A 92 -6.579 1.032 -18.142 1.00 52.40 H new ATOM 0 HB3 PRO A 92 -8.223 1.631 -18.247 1.00 52.40 H new ATOM 0 HG2 PRO A 92 -6.261 2.981 -16.933 1.00 41.44 H new ATOM 0 HG3 PRO A 92 -7.949 3.095 -16.476 1.00 41.44 H new ATOM 0 HD2 PRO A 92 -5.744 1.516 -15.180 1.00 51.43 H new ATOM 0 HD3 PRO A 92 -7.083 2.364 -14.431 1.00 51.43 H new ATOM 1333 N GLU A 93 -7.818 -2.211 -17.179 1.00 43.14 N ATOM 1334 CA GLU A 93 -7.249 -3.542 -17.298 1.00 55.20 C ATOM 1335 C GLU A 93 -8.321 -4.388 -17.990 1.00 11.20 C ATOM 1336 O GLU A 93 -9.254 -4.873 -17.283 1.00 43.41 O ATOM 1337 CB GLU A 93 -6.931 -4.136 -15.856 1.00 54.22 C ATOM 1338 CG GLU A 93 -5.922 -3.315 -15.011 1.00 3.51 C ATOM 1339 CD GLU A 93 -5.810 -3.722 -13.543 1.00 24.11 C ATOM 1340 OE1 GLU A 93 -6.787 -3.525 -12.777 1.00 63.42 O ATOM 1341 OE2 GLU A 93 -4.719 -4.141 -13.103 1.00 43.41 O1- ATOM 1342 OXT GLU A 93 -8.307 -4.471 -19.212 1.00 37.70 O1- ATOM 0 H GLU A 93 -8.835 -2.204 -17.259 1.00 43.14 H new ATOM 0 HA GLU A 93 -6.315 -3.532 -17.859 1.00 55.20 H new ATOM 0 HB2 GLU A 93 -7.865 -4.217 -15.300 1.00 54.22 H new ATOM 0 HB3 GLU A 93 -6.542 -5.147 -15.975 1.00 54.22 H new ATOM 0 HG2 GLU A 93 -4.937 -3.400 -15.470 1.00 3.51 H new ATOM 0 HG3 GLU A 93 -6.206 -2.264 -15.058 1.00 3.51 H new TER 1349 GLU A 93