USER MOD reduce.3.24.130724 H: found=0, std=0, add=828, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 828 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 86 SER OG : rot 78:sc= 0.734 USER MOD Set 1.2: A 89 HIS : no HD1:sc= 0.318 K(o=4,f=-1.2!) USER MOD Set 1.3: A 106 SER OG : rot -130:sc= 2.14 USER MOD Set 1.4: A 110 THR OG1 : rot 145:sc= 0.851 USER MOD Set 2.1: A 84 THR OG1 : rot -45:sc= 0.762 USER MOD Set 2.2: A 108 ASN : amide:sc= 0.442 K(o=1.2,f=0.36) USER MOD Single : A 5 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.023 USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= -0.0351 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ -176:sc= 1.21 (180deg=1.07) USER MOD Single : A 56 ASN : amide:sc= -2.31 K(o=-2.3,f=-0.26) USER MOD Single : A 65 GLN : amide:sc= 0.501 K(o=0.5,f=-0.12) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot -140:sc= -0.499 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0.695 USER MOD Single : A 73 HIS : no HD1:sc= -0.677 K(o=-0.68,f=0.04) USER MOD Single : A 76 SER OG : rot 83:sc= 0.00285 USER MOD Single : A 95 ASN : amide:sc= 0.0997 X(o=0.1,f=0) USER MOD Single : A 111 TYR OH : rot 82:sc= 1.27 USER MOD Single : A 113 ASN : amide:sc= 0.368 K(o=0.37,f=-0.82) USER MOD Single : A 118 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 120 GLN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 122 MET CE :methyl -139:sc= -0.075 (180deg=-2.11!) USER MOD Single : A 123 GLN : amide:sc= -1.46 K(o=-1.5,f=-6.4!) USER MOD Single : A 124 THR OG1 : rot -150:sc= 0.893 USER MOD Single : A 129 GLN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 132 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 57 N ASN A 5 -12.542 -25.115 55.835 1.00 72.10 N ATOM 58 CA ASN A 5 -12.249 -24.913 54.443 1.00 43.02 C ATOM 59 C ASN A 5 -11.612 -26.126 53.815 1.00 63.12 C ATOM 60 O ASN A 5 -11.114 -27.016 54.511 1.00 64.24 O ATOM 61 CB ASN A 5 -11.348 -23.682 54.271 1.00 62.41 C ATOM 62 CG ASN A 5 -10.029 -23.792 55.025 1.00 30.00 C ATOM 63 OD1 ASN A 5 -9.029 -24.276 54.491 1.00 74.25 O ATOM 64 ND2 ASN A 5 -10.009 -23.339 56.256 1.00 12.31 N ATOM 0 HA ASN A 5 -13.194 -24.745 53.927 1.00 43.02 H new ATOM 0 HB2 ASN A 5 -11.142 -23.537 53.211 1.00 62.41 H new ATOM 0 HB3 ASN A 5 -11.883 -22.797 54.616 1.00 62.41 H new ATOM 0 HD21 ASN A 5 -9.148 -23.381 56.801 1.00 12.31 H new ATOM 0 HD22 ASN A 5 -10.855 -22.944 56.668 1.00 12.31 H new ATOM 71 N GLY A 6 -11.628 -26.136 52.516 1.00 52.13 N ATOM 72 CA GLY A 6 -11.074 -27.190 51.728 1.00 42.44 C ATOM 73 C GLY A 6 -11.276 -26.837 50.294 1.00 74.44 C ATOM 74 O GLY A 6 -11.613 -25.680 50.006 1.00 20.10 O ATOM 0 H GLY A 6 -12.040 -25.387 51.960 1.00 52.13 H new ATOM 0 HA2 GLY A 6 -10.013 -27.314 51.946 1.00 42.44 H new ATOM 0 HA3 GLY A 6 -11.560 -28.138 51.961 1.00 42.44 H new ATOM 78 N THR A 7 -11.119 -27.771 49.403 1.00 32.03 N ATOM 79 CA THR A 7 -11.321 -27.487 48.011 1.00 54.03 C ATOM 80 C THR A 7 -12.829 -27.432 47.707 1.00 52.51 C ATOM 81 O THR A 7 -13.562 -28.390 48.001 1.00 11.44 O ATOM 82 CB THR A 7 -10.587 -28.516 47.120 1.00 5.32 C ATOM 83 OG1 THR A 7 -10.777 -29.851 47.633 1.00 53.33 O ATOM 84 CG2 THR A 7 -9.098 -28.210 47.053 1.00 71.12 C ATOM 0 H THR A 7 -10.853 -28.733 49.613 1.00 32.03 H new ATOM 0 HA THR A 7 -10.892 -26.512 47.780 1.00 54.03 H new ATOM 0 HB THR A 7 -11.008 -28.450 46.117 1.00 5.32 H new ATOM 0 HG1 THR A 7 -10.309 -30.492 47.058 1.00 53.33 H new ATOM 0 HG21 THR A 7 -8.603 -28.947 46.421 1.00 71.12 H new ATOM 0 HG22 THR A 7 -8.950 -27.215 46.634 1.00 71.12 H new ATOM 0 HG23 THR A 7 -8.673 -28.249 48.056 1.00 71.12 H new ATOM 92 N PRO A 8 -13.310 -26.306 47.135 1.00 63.33 N ATOM 93 CA PRO A 8 -14.737 -26.080 46.884 1.00 74.20 C ATOM 94 C PRO A 8 -15.339 -27.105 45.942 1.00 13.30 C ATOM 95 O PRO A 8 -14.656 -27.604 45.040 1.00 12.21 O ATOM 96 CB PRO A 8 -14.784 -24.683 46.246 1.00 51.44 C ATOM 97 CG PRO A 8 -13.408 -24.442 45.745 1.00 32.13 C ATOM 98 CD PRO A 8 -12.493 -25.166 46.682 1.00 61.35 C ATOM 0 HA PRO A 8 -15.317 -26.164 47.803 1.00 74.20 H new ATOM 0 HB2 PRO A 8 -15.512 -24.644 45.435 1.00 51.44 H new ATOM 0 HB3 PRO A 8 -15.077 -23.926 46.974 1.00 51.44 H new ATOM 0 HG2 PRO A 8 -13.294 -24.811 44.726 1.00 32.13 H new ATOM 0 HG3 PRO A 8 -13.182 -23.376 45.725 1.00 32.13 H new ATOM 0 HD2 PRO A 8 -11.583 -25.496 46.181 1.00 61.35 H new ATOM 0 HD3 PRO A 8 -12.187 -24.533 47.515 1.00 61.35 H new ATOM 106 N GLU A 9 -16.607 -27.406 46.147 1.00 11.40 N ATOM 107 CA GLU A 9 -17.309 -28.363 45.318 1.00 3.22 C ATOM 108 C GLU A 9 -17.514 -27.779 43.928 1.00 71.12 C ATOM 109 O GLU A 9 -18.168 -26.729 43.774 1.00 33.04 O ATOM 110 CB GLU A 9 -18.654 -28.731 45.942 1.00 40.05 C ATOM 111 CG GLU A 9 -18.543 -29.511 47.242 1.00 63.45 C ATOM 112 CD GLU A 9 -17.828 -30.828 47.056 1.00 1.31 C ATOM 113 OE1 GLU A 9 -18.411 -31.754 46.460 1.00 11.21 O ATOM 114 OE2 GLU A 9 -16.671 -30.959 47.493 1.00 62.22 O ATOM 0 H GLU A 9 -17.175 -26.996 46.888 1.00 11.40 H new ATOM 0 HA GLU A 9 -16.710 -29.271 45.242 1.00 3.22 H new ATOM 0 HB2 GLU A 9 -19.219 -27.817 46.126 1.00 40.05 H new ATOM 0 HB3 GLU A 9 -19.226 -29.320 45.225 1.00 40.05 H new ATOM 0 HG2 GLU A 9 -18.010 -28.911 47.980 1.00 63.45 H new ATOM 0 HG3 GLU A 9 -19.541 -29.694 47.641 1.00 63.45 H new ATOM 121 N PRO A 10 -16.931 -28.419 42.911 1.00 63.20 N ATOM 122 CA PRO A 10 -16.982 -27.935 41.552 1.00 63.02 C ATOM 123 C PRO A 10 -18.277 -28.315 40.842 1.00 4.02 C ATOM 124 O PRO A 10 -18.827 -29.410 41.044 1.00 74.22 O ATOM 125 CB PRO A 10 -15.781 -28.613 40.894 1.00 13.23 C ATOM 126 CG PRO A 10 -15.619 -29.903 41.625 1.00 14.04 C ATOM 127 CD PRO A 10 -16.180 -29.693 43.010 1.00 5.32 C ATOM 0 HA PRO A 10 -16.952 -26.846 41.504 1.00 63.02 H new ATOM 0 HB2 PRO A 10 -15.956 -28.781 39.831 1.00 13.23 H new ATOM 0 HB3 PRO A 10 -14.886 -27.997 40.977 1.00 13.23 H new ATOM 0 HG2 PRO A 10 -16.147 -30.707 41.112 1.00 14.04 H new ATOM 0 HG3 PRO A 10 -14.569 -30.191 41.673 1.00 14.04 H new ATOM 0 HD2 PRO A 10 -16.830 -30.516 43.305 1.00 5.32 H new ATOM 0 HD3 PRO A 10 -15.387 -29.631 43.755 1.00 5.32 H new ATOM 135 N GLN A 11 -18.763 -27.407 40.034 1.00 44.23 N ATOM 136 CA GLN A 11 -19.958 -27.620 39.275 1.00 42.53 C ATOM 137 C GLN A 11 -19.698 -28.635 38.184 1.00 3.53 C ATOM 138 O GLN A 11 -18.661 -28.592 37.511 1.00 42.10 O ATOM 139 CB GLN A 11 -20.487 -26.291 38.707 1.00 35.31 C ATOM 140 CG GLN A 11 -19.489 -25.530 37.841 1.00 34.12 C ATOM 141 CD GLN A 11 -19.986 -24.160 37.451 1.00 40.11 C ATOM 142 OE1 GLN A 11 -20.624 -23.986 36.416 1.00 63.10 O ATOM 143 NE2 GLN A 11 -19.717 -23.188 38.278 1.00 4.14 N ATOM 0 H GLN A 11 -18.333 -26.494 39.887 1.00 44.23 H new ATOM 0 HA GLN A 11 -20.733 -28.019 39.930 1.00 42.53 H new ATOM 0 HB2 GLN A 11 -21.381 -26.493 38.117 1.00 35.31 H new ATOM 0 HB3 GLN A 11 -20.791 -25.652 39.536 1.00 35.31 H new ATOM 0 HG2 GLN A 11 -18.547 -25.431 38.380 1.00 34.12 H new ATOM 0 HG3 GLN A 11 -19.281 -26.107 36.940 1.00 34.12 H new ATOM 0 HE21 GLN A 11 -19.184 -23.374 39.128 1.00 4.14 H new ATOM 0 HE22 GLN A 11 -20.040 -22.242 38.075 1.00 4.14 H new ATOM 152 N VAL A 12 -20.600 -29.558 38.054 1.00 22.31 N ATOM 153 CA VAL A 12 -20.496 -30.604 37.072 1.00 50.21 C ATOM 154 C VAL A 12 -20.787 -30.035 35.685 1.00 1.24 C ATOM 155 O VAL A 12 -21.948 -29.945 35.249 1.00 33.14 O ATOM 156 CB VAL A 12 -21.439 -31.806 37.397 1.00 54.33 C ATOM 157 CG1 VAL A 12 -21.289 -32.916 36.375 1.00 21.20 C ATOM 158 CG2 VAL A 12 -21.161 -32.343 38.794 1.00 54.43 C ATOM 0 H VAL A 12 -21.440 -29.611 38.631 1.00 22.31 H new ATOM 0 HA VAL A 12 -19.478 -30.992 37.093 1.00 50.21 H new ATOM 0 HB VAL A 12 -22.465 -31.441 37.356 1.00 54.33 H new ATOM 0 HG11 VAL A 12 -21.958 -33.738 36.629 1.00 21.20 H new ATOM 0 HG12 VAL A 12 -21.541 -32.536 35.385 1.00 21.20 H new ATOM 0 HG13 VAL A 12 -20.259 -33.274 36.375 1.00 21.20 H new ATOM 0 HG21 VAL A 12 -21.828 -33.180 39.002 1.00 54.43 H new ATOM 0 HG22 VAL A 12 -20.126 -32.680 38.855 1.00 54.43 H new ATOM 0 HG23 VAL A 12 -21.330 -31.554 39.527 1.00 54.43 H new ATOM 168 N GLU A 13 -19.736 -29.570 35.056 1.00 34.40 N ATOM 169 CA GLU A 13 -19.795 -29.001 33.744 1.00 34.11 C ATOM 170 C GLU A 13 -20.008 -30.105 32.741 1.00 13.24 C ATOM 171 O GLU A 13 -19.248 -31.076 32.704 1.00 32.10 O ATOM 172 CB GLU A 13 -18.501 -28.234 33.446 1.00 32.51 C ATOM 173 CG GLU A 13 -18.467 -27.545 32.091 1.00 71.53 C ATOM 174 CD GLU A 13 -17.179 -26.806 31.852 1.00 64.12 C ATOM 175 OE1 GLU A 13 -17.079 -25.616 32.235 1.00 11.12 O ATOM 176 OE2 GLU A 13 -16.251 -27.382 31.276 1.00 21.41 O ATOM 0 H GLU A 13 -18.798 -29.580 35.456 1.00 34.40 H new ATOM 0 HA GLU A 13 -20.625 -28.298 33.681 1.00 34.11 H new ATOM 0 HB2 GLU A 13 -18.352 -27.484 34.223 1.00 32.51 H new ATOM 0 HB3 GLU A 13 -17.662 -28.927 33.507 1.00 32.51 H new ATOM 0 HG2 GLU A 13 -18.607 -28.288 31.306 1.00 71.53 H new ATOM 0 HG3 GLU A 13 -19.301 -26.847 32.021 1.00 71.53 H new ATOM 183 N THR A 14 -21.042 -29.969 31.963 1.00 33.25 N ATOM 184 CA THR A 14 -21.394 -30.936 30.975 1.00 4.40 C ATOM 185 C THR A 14 -20.336 -30.963 29.877 1.00 35.42 C ATOM 186 O THR A 14 -20.306 -30.089 28.998 1.00 35.34 O ATOM 187 CB THR A 14 -22.777 -30.598 30.387 1.00 31.54 C ATOM 188 OG1 THR A 14 -23.705 -30.387 31.479 1.00 51.24 O ATOM 189 CG2 THR A 14 -23.291 -31.736 29.515 1.00 1.02 C ATOM 0 H THR A 14 -21.672 -29.168 32.001 1.00 33.25 H new ATOM 0 HA THR A 14 -21.442 -31.923 31.434 1.00 4.40 H new ATOM 0 HB THR A 14 -22.689 -29.702 29.772 1.00 31.54 H new ATOM 0 HG1 THR A 14 -24.590 -30.169 31.119 1.00 51.24 H new ATOM 0 HG21 THR A 14 -24.269 -31.472 29.112 1.00 1.02 H new ATOM 0 HG22 THR A 14 -22.595 -31.909 28.694 1.00 1.02 H new ATOM 0 HG23 THR A 14 -23.378 -32.643 30.114 1.00 1.02 H new ATOM 197 N THR A 15 -19.437 -31.913 29.975 1.00 24.04 N ATOM 198 CA THR A 15 -18.384 -32.070 29.021 1.00 11.12 C ATOM 199 C THR A 15 -18.907 -32.779 27.755 1.00 30.32 C ATOM 200 O THR A 15 -18.742 -33.989 27.541 1.00 62.13 O ATOM 201 CB THR A 15 -17.107 -32.747 29.653 1.00 75.03 C ATOM 202 OG1 THR A 15 -16.056 -32.915 28.688 1.00 41.54 O ATOM 203 CG2 THR A 15 -17.429 -34.085 30.326 1.00 23.41 C ATOM 0 H THR A 15 -19.422 -32.601 30.728 1.00 24.04 H new ATOM 0 HA THR A 15 -18.046 -31.082 28.708 1.00 11.12 H new ATOM 0 HB THR A 15 -16.756 -32.063 30.425 1.00 75.03 H new ATOM 0 HG1 THR A 15 -15.282 -33.336 29.117 1.00 41.54 H new ATOM 0 HG21 THR A 15 -16.517 -34.510 30.745 1.00 23.41 H new ATOM 0 HG22 THR A 15 -18.155 -33.926 31.123 1.00 23.41 H new ATOM 0 HG23 THR A 15 -17.844 -34.772 29.589 1.00 23.41 H new ATOM 211 N SER A 16 -19.634 -32.017 26.983 1.00 34.41 N ATOM 212 CA SER A 16 -20.239 -32.443 25.758 1.00 62.41 C ATOM 213 C SER A 16 -20.439 -31.196 24.922 1.00 60.44 C ATOM 214 O SER A 16 -20.361 -30.077 25.463 1.00 71.14 O ATOM 215 CB SER A 16 -21.617 -33.074 26.044 1.00 61.13 C ATOM 216 OG SER A 16 -21.532 -34.119 27.007 1.00 34.02 O ATOM 0 H SER A 16 -19.827 -31.040 27.204 1.00 34.41 H new ATOM 0 HA SER A 16 -19.615 -33.180 25.252 1.00 62.41 H new ATOM 0 HB2 SER A 16 -22.301 -32.305 26.402 1.00 61.13 H new ATOM 0 HB3 SER A 16 -22.036 -33.467 25.118 1.00 61.13 H new ATOM 0 HG SER A 16 -22.424 -34.493 27.163 1.00 34.02 H new ATOM 222 N VAL A 17 -20.678 -31.359 23.646 1.00 72.54 N ATOM 223 CA VAL A 17 -20.969 -30.241 22.808 1.00 65.54 C ATOM 224 C VAL A 17 -22.376 -29.750 23.114 1.00 30.40 C ATOM 225 O VAL A 17 -23.310 -30.548 23.330 1.00 51.02 O ATOM 226 CB VAL A 17 -20.809 -30.558 21.288 1.00 32.32 C ATOM 227 CG1 VAL A 17 -19.382 -30.951 20.969 1.00 61.23 C ATOM 228 CG2 VAL A 17 -21.754 -31.653 20.841 1.00 2.23 C ATOM 0 H VAL A 17 -20.675 -32.261 23.170 1.00 72.54 H new ATOM 0 HA VAL A 17 -20.241 -29.460 23.026 1.00 65.54 H new ATOM 0 HB VAL A 17 -21.061 -29.649 20.742 1.00 32.32 H new ATOM 0 HG11 VAL A 17 -19.294 -31.168 19.904 1.00 61.23 H new ATOM 0 HG12 VAL A 17 -18.712 -30.132 21.230 1.00 61.23 H new ATOM 0 HG13 VAL A 17 -19.112 -31.837 21.543 1.00 61.23 H new ATOM 0 HG21 VAL A 17 -21.612 -31.844 19.777 1.00 2.23 H new ATOM 0 HG22 VAL A 17 -21.548 -32.563 21.404 1.00 2.23 H new ATOM 0 HG23 VAL A 17 -22.783 -31.341 21.019 1.00 2.23 H new ATOM 616 N GLY A 45 4.943 -15.871 1.561 1.00 14.30 N ATOM 617 CA GLY A 45 3.612 -15.550 1.987 1.00 51.21 C ATOM 618 C GLY A 45 3.434 -14.076 1.997 1.00 51.32 C ATOM 619 O GLY A 45 3.111 -13.473 3.019 1.00 14.34 O ATOM 0 HA2 GLY A 45 2.884 -16.010 1.318 1.00 51.21 H new ATOM 0 HA3 GLY A 45 3.430 -15.955 2.982 1.00 51.21 H new ATOM 623 N SER A 46 3.644 -13.505 0.859 1.00 12.01 N ATOM 624 CA SER A 46 3.574 -12.107 0.689 1.00 34.21 C ATOM 625 C SER A 46 2.142 -11.725 0.315 1.00 41.31 C ATOM 626 O SER A 46 1.381 -12.548 -0.230 1.00 41.32 O ATOM 627 CB SER A 46 4.535 -11.724 -0.425 1.00 33.33 C ATOM 628 OG SER A 46 5.791 -12.396 -0.261 1.00 64.31 O ATOM 0 H SER A 46 3.874 -14.016 0.007 1.00 12.01 H new ATOM 0 HA SER A 46 3.847 -11.583 1.605 1.00 34.21 H new ATOM 0 HB2 SER A 46 4.102 -11.982 -1.391 1.00 33.33 H new ATOM 0 HB3 SER A 46 4.691 -10.645 -0.424 1.00 33.33 H new ATOM 0 HG SER A 46 6.397 -12.139 -0.987 1.00 64.31 H new ATOM 634 N ALA A 47 1.784 -10.513 0.616 1.00 31.02 N ATOM 635 CA ALA A 47 0.462 -10.004 0.353 1.00 64.33 C ATOM 636 C ALA A 47 0.578 -8.875 -0.644 1.00 11.14 C ATOM 637 O ALA A 47 1.696 -8.478 -1.003 1.00 21.01 O ATOM 638 CB ALA A 47 -0.170 -9.530 1.646 1.00 55.25 C ATOM 0 H ALA A 47 2.407 -9.837 1.057 1.00 31.02 H new ATOM 0 HA ALA A 47 -0.175 -10.785 -0.062 1.00 64.33 H new ATOM 0 HB1 ALA A 47 -1.170 -9.146 1.443 1.00 55.25 H new ATOM 0 HB2 ALA A 47 -0.237 -10.363 2.345 1.00 55.25 H new ATOM 0 HB3 ALA A 47 0.441 -8.739 2.081 1.00 55.25 H new ATOM 644 N LEU A 48 -0.522 -8.336 -1.073 1.00 32.22 N ATOM 645 CA LEU A 48 -0.491 -7.332 -2.097 1.00 65.14 C ATOM 646 C LEU A 48 -1.302 -6.125 -1.706 1.00 43.42 C ATOM 647 O LEU A 48 -2.175 -6.192 -0.830 1.00 30.32 O ATOM 648 CB LEU A 48 -0.968 -7.873 -3.474 1.00 1.24 C ATOM 649 CG LEU A 48 -2.429 -8.365 -3.605 1.00 64.14 C ATOM 650 CD1 LEU A 48 -2.788 -8.494 -5.069 1.00 20.03 C ATOM 651 CD2 LEU A 48 -2.626 -9.720 -2.934 1.00 13.10 C ATOM 0 H LEU A 48 -1.453 -8.573 -0.731 1.00 32.22 H new ATOM 0 HA LEU A 48 0.553 -7.035 -2.203 1.00 65.14 H new ATOM 0 HB2 LEU A 48 -0.816 -7.085 -4.211 1.00 1.24 H new ATOM 0 HB3 LEU A 48 -0.313 -8.699 -3.751 1.00 1.24 H new ATOM 0 HG LEU A 48 -3.072 -7.635 -3.112 1.00 64.14 H new ATOM 0 HD11 LEU A 48 -3.817 -8.841 -5.162 1.00 20.03 H new ATOM 0 HD12 LEU A 48 -2.686 -7.524 -5.555 1.00 20.03 H new ATOM 0 HD13 LEU A 48 -2.119 -9.211 -5.546 1.00 20.03 H new ATOM 0 HD21 LEU A 48 -3.664 -10.034 -3.046 1.00 13.10 H new ATOM 0 HD22 LEU A 48 -1.972 -10.456 -3.401 1.00 13.10 H new ATOM 0 HD23 LEU A 48 -2.384 -9.640 -1.874 1.00 13.10 H new ATOM 663 N LEU A 49 -1.016 -5.038 -2.340 1.00 63.53 N ATOM 664 CA LEU A 49 -1.725 -3.829 -2.112 1.00 34.35 C ATOM 665 C LEU A 49 -2.333 -3.336 -3.397 1.00 42.14 C ATOM 666 O LEU A 49 -1.796 -3.593 -4.492 1.00 3.35 O ATOM 667 CB LEU A 49 -0.828 -2.758 -1.420 1.00 52.13 C ATOM 668 CG LEU A 49 0.581 -2.439 -2.024 1.00 73.42 C ATOM 669 CD1 LEU A 49 0.511 -1.807 -3.410 1.00 42.24 C ATOM 670 CD2 LEU A 49 1.358 -1.527 -1.094 1.00 3.42 C ATOM 0 H LEU A 49 -0.276 -4.965 -3.038 1.00 63.53 H new ATOM 0 HA LEU A 49 -2.541 -4.028 -1.417 1.00 34.35 H new ATOM 0 HB2 LEU A 49 -1.392 -1.826 -1.392 1.00 52.13 H new ATOM 0 HB3 LEU A 49 -0.679 -3.072 -0.387 1.00 52.13 H new ATOM 0 HG LEU A 49 1.092 -3.396 -2.130 1.00 73.42 H new ATOM 0 HD11 LEU A 49 1.520 -1.611 -3.772 1.00 42.24 H new ATOM 0 HD12 LEU A 49 0.006 -2.488 -4.095 1.00 42.24 H new ATOM 0 HD13 LEU A 49 -0.043 -0.870 -3.355 1.00 42.24 H new ATOM 0 HD21 LEU A 49 2.335 -1.314 -1.527 1.00 3.42 H new ATOM 0 HD22 LEU A 49 0.810 -0.595 -0.957 1.00 3.42 H new ATOM 0 HD23 LEU A 49 1.487 -2.017 -0.129 1.00 3.42 H new ATOM 682 N VAL A 50 -3.457 -2.702 -3.293 1.00 44.11 N ATOM 683 CA VAL A 50 -4.081 -2.116 -4.437 1.00 34.34 C ATOM 684 C VAL A 50 -4.288 -0.638 -4.171 1.00 51.31 C ATOM 685 O VAL A 50 -4.715 -0.243 -3.070 1.00 33.21 O ATOM 686 CB VAL A 50 -5.450 -2.808 -4.836 1.00 73.43 C ATOM 687 CG1 VAL A 50 -5.269 -4.289 -5.112 1.00 24.15 C ATOM 688 CG2 VAL A 50 -6.522 -2.620 -3.787 1.00 44.51 C ATOM 0 H VAL A 50 -3.966 -2.576 -2.418 1.00 44.11 H new ATOM 0 HA VAL A 50 -3.418 -2.267 -5.289 1.00 34.34 H new ATOM 0 HB VAL A 50 -5.777 -2.312 -5.749 1.00 73.43 H new ATOM 0 HG11 VAL A 50 -6.229 -4.729 -5.382 1.00 24.15 H new ATOM 0 HG12 VAL A 50 -4.565 -4.423 -5.933 1.00 24.15 H new ATOM 0 HG13 VAL A 50 -4.883 -4.781 -4.219 1.00 24.15 H new ATOM 0 HG21 VAL A 50 -7.438 -3.114 -4.111 1.00 44.51 H new ATOM 0 HG22 VAL A 50 -6.189 -3.055 -2.845 1.00 44.51 H new ATOM 0 HG23 VAL A 50 -6.713 -1.556 -3.648 1.00 44.51 H new ATOM 698 N VAL A 51 -3.953 0.179 -5.121 1.00 51.11 N ATOM 699 CA VAL A 51 -4.183 1.584 -4.973 1.00 11.50 C ATOM 700 C VAL A 51 -5.513 1.857 -5.569 1.00 23.01 C ATOM 701 O VAL A 51 -5.736 1.629 -6.770 1.00 63.24 O ATOM 702 CB VAL A 51 -3.100 2.443 -5.675 1.00 24.04 C ATOM 703 CG1 VAL A 51 -3.342 3.929 -5.439 1.00 22.31 C ATOM 704 CG2 VAL A 51 -1.715 2.058 -5.192 1.00 43.42 C ATOM 0 H VAL A 51 -3.522 -0.099 -6.002 1.00 51.11 H new ATOM 0 HA VAL A 51 -4.141 1.852 -3.917 1.00 11.50 H new ATOM 0 HB VAL A 51 -3.165 2.250 -6.746 1.00 24.04 H new ATOM 0 HG11 VAL A 51 -2.568 4.508 -5.942 1.00 22.31 H new ATOM 0 HG12 VAL A 51 -4.319 4.206 -5.836 1.00 22.31 H new ATOM 0 HG13 VAL A 51 -3.313 4.137 -4.369 1.00 22.31 H new ATOM 0 HG21 VAL A 51 -0.970 2.673 -5.697 1.00 43.42 H new ATOM 0 HG22 VAL A 51 -1.648 2.217 -4.116 1.00 43.42 H new ATOM 0 HG23 VAL A 51 -1.531 1.007 -5.416 1.00 43.42 H new ATOM 714 N LYS A 52 -6.410 2.280 -4.721 1.00 13.12 N ATOM 715 CA LYS A 52 -7.769 2.516 -5.101 1.00 13.11 C ATOM 716 C LYS A 52 -7.823 3.788 -5.916 1.00 22.13 C ATOM 717 O LYS A 52 -8.530 3.870 -6.917 1.00 22.44 O ATOM 718 CB LYS A 52 -8.615 2.636 -3.843 1.00 34.42 C ATOM 719 CG LYS A 52 -10.108 2.504 -4.049 1.00 51.20 C ATOM 720 CD LYS A 52 -10.815 2.607 -2.720 1.00 11.03 C ATOM 721 CE LYS A 52 -12.270 2.212 -2.808 1.00 14.23 C ATOM 722 NZ LYS A 52 -12.915 2.306 -1.488 1.00 71.00 N ATOM 0 H LYS A 52 -6.213 2.471 -3.739 1.00 13.12 H new ATOM 0 HA LYS A 52 -8.158 1.695 -5.703 1.00 13.11 H new ATOM 0 HB2 LYS A 52 -8.294 1.871 -3.136 1.00 34.42 H new ATOM 0 HB3 LYS A 52 -8.413 3.602 -3.381 1.00 34.42 H new ATOM 0 HG2 LYS A 52 -10.463 3.285 -4.722 1.00 51.20 H new ATOM 0 HG3 LYS A 52 -10.337 1.548 -4.521 1.00 51.20 H new ATOM 0 HD2 LYS A 52 -10.312 1.969 -1.994 1.00 11.03 H new ATOM 0 HD3 LYS A 52 -10.741 3.630 -2.351 1.00 11.03 H new ATOM 0 HE2 LYS A 52 -12.786 2.860 -3.517 1.00 14.23 H new ATOM 0 HE3 LYS A 52 -12.353 1.194 -3.187 1.00 14.23 H new ATOM 0 HZ1 LYS A 52 -13.896 1.966 -1.556 1.00 71.00 H new ATOM 0 HZ2 LYS A 52 -12.393 1.722 -0.804 1.00 71.00 H new ATOM 0 HZ3 LYS A 52 -12.913 3.296 -1.170 1.00 71.00 H new ATOM 736 N ARG A 53 -7.048 4.764 -5.487 1.00 42.31 N ATOM 737 CA ARG A 53 -6.926 6.024 -6.174 1.00 21.30 C ATOM 738 C ARG A 53 -5.756 6.753 -5.562 1.00 53.41 C ATOM 739 O ARG A 53 -5.570 6.685 -4.341 1.00 0.31 O ATOM 740 CB ARG A 53 -8.218 6.861 -6.027 1.00 30.02 C ATOM 741 CG ARG A 53 -8.234 8.155 -6.837 1.00 15.55 C ATOM 742 CD ARG A 53 -8.143 7.885 -8.336 1.00 40.41 C ATOM 743 NE ARG A 53 -8.153 9.126 -9.111 1.00 65.21 N ATOM 744 CZ ARG A 53 -7.950 9.222 -10.435 1.00 5.52 C ATOM 745 NH1 ARG A 53 -7.743 8.130 -11.171 1.00 42.35 N ATOM 746 NH2 ARG A 53 -7.959 10.415 -11.016 1.00 11.52 N ATOM 0 H ARG A 53 -6.481 4.699 -4.642 1.00 42.31 H new ATOM 0 HA ARG A 53 -6.768 5.861 -7.240 1.00 21.30 H new ATOM 0 HB2 ARG A 53 -9.068 6.249 -6.329 1.00 30.02 H new ATOM 0 HB3 ARG A 53 -8.359 7.105 -4.974 1.00 30.02 H new ATOM 0 HG2 ARG A 53 -9.149 8.707 -6.622 1.00 15.55 H new ATOM 0 HG3 ARG A 53 -7.400 8.787 -6.530 1.00 15.55 H new ATOM 0 HD2 ARG A 53 -7.230 7.329 -8.551 1.00 40.41 H new ATOM 0 HD3 ARG A 53 -8.979 7.257 -8.644 1.00 40.41 H new ATOM 0 HE ARG A 53 -8.329 9.992 -8.602 1.00 65.21 H new ATOM 0 HH11 ARG A 53 -7.738 7.211 -10.729 1.00 42.35 H new ATOM 0 HH12 ARG A 53 -7.590 8.214 -12.176 1.00 42.35 H new ATOM 0 HH21 ARG A 53 -8.120 11.253 -10.457 1.00 11.52 H new ATOM 0 HH22 ARG A 53 -7.805 10.494 -12.021 1.00 11.52 H new ATOM 760 N GLY A 54 -4.945 7.388 -6.379 1.00 45.03 N ATOM 761 CA GLY A 54 -3.842 8.120 -5.852 1.00 1.12 C ATOM 762 C GLY A 54 -2.561 7.981 -6.649 1.00 13.13 C ATOM 763 O GLY A 54 -2.114 6.856 -6.919 1.00 5.45 O ATOM 0 H GLY A 54 -5.035 7.406 -7.395 1.00 45.03 H new ATOM 0 HA2 GLY A 54 -4.112 9.175 -5.802 1.00 1.12 H new ATOM 0 HA3 GLY A 54 -3.657 7.790 -4.830 1.00 1.12 H new ATOM 767 N PRO A 55 -1.937 9.136 -7.032 1.00 23.43 N ATOM 768 CA PRO A 55 -0.606 9.214 -7.705 1.00 13.44 C ATOM 769 C PRO A 55 0.528 8.481 -6.950 1.00 34.54 C ATOM 770 O PRO A 55 1.647 8.392 -7.448 1.00 4.53 O ATOM 771 CB PRO A 55 -0.331 10.714 -7.752 1.00 33.13 C ATOM 772 CG PRO A 55 -1.675 11.321 -7.821 1.00 2.20 C ATOM 773 CD PRO A 55 -2.532 10.485 -6.923 1.00 74.22 C ATOM 0 HA PRO A 55 -0.630 8.724 -8.678 1.00 13.44 H new ATOM 0 HB2 PRO A 55 0.213 11.048 -6.869 1.00 33.13 H new ATOM 0 HB3 PRO A 55 0.273 10.982 -8.619 1.00 33.13 H new ATOM 0 HG2 PRO A 55 -1.655 12.360 -7.491 1.00 2.20 H new ATOM 0 HG3 PRO A 55 -2.056 11.319 -8.842 1.00 2.20 H new ATOM 0 HD2 PRO A 55 -2.512 10.850 -5.896 1.00 74.22 H new ATOM 0 HD3 PRO A 55 -3.574 10.491 -7.244 1.00 74.22 H new ATOM 781 N ASN A 56 0.227 8.031 -5.715 1.00 33.14 N ATOM 782 CA ASN A 56 1.095 7.136 -4.905 1.00 2.41 C ATOM 783 C ASN A 56 1.710 6.054 -5.805 1.00 41.32 C ATOM 784 O ASN A 56 2.892 5.803 -5.750 1.00 45.20 O ATOM 785 CB ASN A 56 0.212 6.463 -3.811 1.00 52.24 C ATOM 786 CG ASN A 56 0.799 5.172 -3.211 1.00 31.34 C ATOM 787 OD1 ASN A 56 0.555 4.089 -3.714 1.00 23.14 O ATOM 788 ND2 ASN A 56 1.510 5.273 -2.121 1.00 22.22 N ATOM 0 H ASN A 56 -0.640 8.281 -5.239 1.00 33.14 H new ATOM 0 HA ASN A 56 1.900 7.709 -4.445 1.00 2.41 H new ATOM 0 HB2 ASN A 56 0.047 7.179 -3.006 1.00 52.24 H new ATOM 0 HB3 ASN A 56 -0.764 6.236 -4.240 1.00 52.24 H new ATOM 0 HD21 ASN A 56 1.875 4.434 -1.671 1.00 22.22 H new ATOM 0 HD22 ASN A 56 1.700 6.191 -1.720 1.00 22.22 H new ATOM 795 N ALA A 57 0.878 5.461 -6.654 1.00 60.24 N ATOM 796 CA ALA A 57 1.327 4.464 -7.613 1.00 74.04 C ATOM 797 C ALA A 57 0.278 4.288 -8.692 1.00 21.31 C ATOM 798 O ALA A 57 0.579 4.331 -9.885 1.00 4.13 O ATOM 799 CB ALA A 57 1.641 3.124 -6.942 1.00 14.11 C ATOM 0 H ALA A 57 -0.122 5.658 -6.695 1.00 60.24 H new ATOM 0 HA ALA A 57 2.254 4.820 -8.062 1.00 74.04 H new ATOM 0 HB1 ALA A 57 1.973 2.409 -7.695 1.00 14.11 H new ATOM 0 HB2 ALA A 57 2.429 3.263 -6.202 1.00 14.11 H new ATOM 0 HB3 ALA A 57 0.745 2.744 -6.451 1.00 14.11 H new ATOM 805 N GLY A 58 -0.965 4.121 -8.269 1.00 52.01 N ATOM 806 CA GLY A 58 -2.054 3.923 -9.213 1.00 62.13 C ATOM 807 C GLY A 58 -1.929 2.593 -9.922 1.00 32.23 C ATOM 808 O GLY A 58 -1.995 2.520 -11.148 1.00 53.03 O ATOM 0 H GLY A 58 -1.244 4.118 -7.288 1.00 52.01 H new ATOM 0 HA2 GLY A 58 -3.008 3.969 -8.687 1.00 62.13 H new ATOM 0 HA3 GLY A 58 -2.055 4.730 -9.946 1.00 62.13 H new ATOM 812 N ALA A 59 -1.709 1.555 -9.144 1.00 53.01 N ATOM 813 CA ALA A 59 -1.522 0.212 -9.648 1.00 45.11 C ATOM 814 C ALA A 59 -1.750 -0.760 -8.506 1.00 52.42 C ATOM 815 O ALA A 59 -2.188 -0.350 -7.420 1.00 21.30 O ATOM 816 CB ALA A 59 -0.101 0.049 -10.193 1.00 54.41 C ATOM 0 H ALA A 59 -1.654 1.622 -8.128 1.00 53.01 H new ATOM 0 HA ALA A 59 -2.226 0.015 -10.457 1.00 45.11 H new ATOM 0 HB1 ALA A 59 0.030 -0.965 -10.570 1.00 54.41 H new ATOM 0 HB2 ALA A 59 0.062 0.761 -11.002 1.00 54.41 H new ATOM 0 HB3 ALA A 59 0.618 0.235 -9.395 1.00 54.41 H new ATOM 822 N ARG A 60 -1.487 -2.019 -8.738 1.00 52.51 N ATOM 823 CA ARG A 60 -1.577 -3.022 -7.710 1.00 33.43 C ATOM 824 C ARG A 60 -0.429 -3.991 -7.874 1.00 15.53 C ATOM 825 O ARG A 60 -0.101 -4.382 -8.998 1.00 2.21 O ATOM 826 CB ARG A 60 -2.943 -3.733 -7.731 1.00 70.54 C ATOM 827 CG ARG A 60 -3.283 -4.482 -9.009 1.00 33.43 C ATOM 828 CD ARG A 60 -4.734 -4.934 -9.015 1.00 72.34 C ATOM 829 NE ARG A 60 -5.667 -3.790 -9.045 1.00 23.33 N ATOM 830 CZ ARG A 60 -6.948 -3.806 -8.604 1.00 40.15 C ATOM 831 NH1 ARG A 60 -7.457 -4.899 -8.043 1.00 2.32 N ATOM 832 NH2 ARG A 60 -7.701 -2.717 -8.721 1.00 34.50 N ATOM 0 H ARG A 60 -1.203 -2.379 -9.649 1.00 52.51 H new ATOM 0 HA ARG A 60 -1.501 -2.547 -6.732 1.00 33.43 H new ATOM 0 HB2 ARG A 60 -2.977 -4.438 -6.900 1.00 70.54 H new ATOM 0 HB3 ARG A 60 -3.720 -2.990 -7.551 1.00 70.54 H new ATOM 0 HG2 ARG A 60 -3.096 -3.840 -9.870 1.00 33.43 H new ATOM 0 HG3 ARG A 60 -2.630 -5.349 -9.110 1.00 33.43 H new ATOM 0 HD2 ARG A 60 -4.912 -5.571 -9.882 1.00 72.34 H new ATOM 0 HD3 ARG A 60 -4.930 -5.539 -8.129 1.00 72.34 H new ATOM 0 HE ARG A 60 -5.317 -2.913 -9.431 1.00 23.33 H new ATOM 0 HH11 ARG A 60 -6.882 -5.735 -7.942 1.00 2.32 H new ATOM 0 HH12 ARG A 60 -8.423 -4.901 -7.714 1.00 2.32 H new ATOM 0 HH21 ARG A 60 -7.314 -1.872 -9.142 1.00 34.50 H new ATOM 0 HH22 ARG A 60 -8.666 -2.726 -8.390 1.00 34.50 H new ATOM 846 N PHE A 61 0.210 -4.335 -6.787 1.00 24.41 N ATOM 847 CA PHE A 61 1.376 -5.192 -6.830 1.00 61.10 C ATOM 848 C PHE A 61 1.595 -5.902 -5.511 1.00 73.01 C ATOM 849 O PHE A 61 1.118 -5.447 -4.458 1.00 40.45 O ATOM 850 CB PHE A 61 2.651 -4.437 -7.304 1.00 54.22 C ATOM 851 CG PHE A 61 3.027 -3.199 -6.514 1.00 72.12 C ATOM 852 CD1 PHE A 61 2.516 -1.956 -6.864 1.00 44.21 C ATOM 853 CD2 PHE A 61 3.905 -3.278 -5.445 1.00 71.45 C ATOM 854 CE1 PHE A 61 2.873 -0.821 -6.163 1.00 10.41 C ATOM 855 CE2 PHE A 61 4.263 -2.146 -4.738 1.00 65.13 C ATOM 856 CZ PHE A 61 3.745 -0.915 -5.098 1.00 41.22 C ATOM 0 H PHE A 61 -0.057 -4.034 -5.850 1.00 24.41 H new ATOM 0 HA PHE A 61 1.176 -5.957 -7.580 1.00 61.10 H new ATOM 0 HB2 PHE A 61 3.491 -5.131 -7.274 1.00 54.22 H new ATOM 0 HB3 PHE A 61 2.512 -4.149 -8.346 1.00 54.22 H new ATOM 0 HD1 PHE A 61 1.831 -1.876 -7.695 1.00 44.21 H new ATOM 0 HD2 PHE A 61 4.315 -4.236 -5.161 1.00 71.45 H new ATOM 0 HE1 PHE A 61 2.470 0.139 -6.448 1.00 10.41 H new ATOM 0 HE2 PHE A 61 4.946 -2.222 -3.905 1.00 65.13 H new ATOM 0 HZ PHE A 61 4.023 -0.029 -4.546 1.00 41.22 H new ATOM 866 N LEU A 62 2.266 -7.022 -5.590 1.00 20.22 N ATOM 867 CA LEU A 62 2.582 -7.855 -4.453 1.00 63.10 C ATOM 868 C LEU A 62 3.781 -7.259 -3.732 1.00 40.12 C ATOM 869 O LEU A 62 4.719 -6.782 -4.381 1.00 64.20 O ATOM 870 CB LEU A 62 2.965 -9.252 -4.948 1.00 61.22 C ATOM 871 CG LEU A 62 3.249 -10.301 -3.881 1.00 14.50 C ATOM 872 CD1 LEU A 62 1.961 -10.873 -3.320 1.00 23.23 C ATOM 873 CD2 LEU A 62 4.154 -11.389 -4.419 1.00 61.01 C ATOM 0 H LEU A 62 2.619 -7.393 -6.472 1.00 20.22 H new ATOM 0 HA LEU A 62 1.722 -7.914 -3.786 1.00 63.10 H new ATOM 0 HB2 LEU A 62 2.159 -9.621 -5.582 1.00 61.22 H new ATOM 0 HB3 LEU A 62 3.850 -9.159 -5.578 1.00 61.22 H new ATOM 0 HG LEU A 62 3.773 -9.814 -3.059 1.00 14.50 H new ATOM 0 HD11 LEU A 62 2.195 -11.619 -2.561 1.00 23.23 H new ATOM 0 HD12 LEU A 62 1.372 -10.072 -2.873 1.00 23.23 H new ATOM 0 HD13 LEU A 62 1.390 -11.339 -4.123 1.00 23.23 H new ATOM 0 HD21 LEU A 62 4.342 -12.126 -3.638 1.00 61.01 H new ATOM 0 HD22 LEU A 62 3.674 -11.875 -5.268 1.00 61.01 H new ATOM 0 HD23 LEU A 62 5.099 -10.951 -4.739 1.00 61.01 H new ATOM 885 N LEU A 63 3.766 -7.268 -2.427 1.00 24.51 N ATOM 886 CA LEU A 63 4.899 -6.777 -1.688 1.00 31.11 C ATOM 887 C LEU A 63 5.803 -7.930 -1.320 1.00 41.23 C ATOM 888 O LEU A 63 5.421 -8.801 -0.552 1.00 12.23 O ATOM 889 CB LEU A 63 4.460 -6.046 -0.422 1.00 53.21 C ATOM 890 CG LEU A 63 3.674 -4.751 -0.604 1.00 25.11 C ATOM 891 CD1 LEU A 63 3.260 -4.203 0.752 1.00 74.12 C ATOM 892 CD2 LEU A 63 4.510 -3.724 -1.357 1.00 45.54 C ATOM 0 H LEU A 63 2.991 -7.606 -1.857 1.00 24.51 H new ATOM 0 HA LEU A 63 5.437 -6.070 -2.320 1.00 31.11 H new ATOM 0 HB2 LEU A 63 3.852 -6.730 0.170 1.00 53.21 H new ATOM 0 HB3 LEU A 63 5.351 -5.821 0.165 1.00 53.21 H new ATOM 0 HG LEU A 63 2.779 -4.961 -1.189 1.00 25.11 H new ATOM 0 HD11 LEU A 63 2.699 -3.278 0.615 1.00 74.12 H new ATOM 0 HD12 LEU A 63 2.635 -4.934 1.264 1.00 74.12 H new ATOM 0 HD13 LEU A 63 4.149 -4.003 1.350 1.00 74.12 H new ATOM 0 HD21 LEU A 63 3.935 -2.806 -1.479 1.00 45.54 H new ATOM 0 HD22 LEU A 63 5.419 -3.511 -0.794 1.00 45.54 H new ATOM 0 HD23 LEU A 63 4.775 -4.119 -2.338 1.00 45.54 H new ATOM 904 N ASP A 64 6.984 -7.927 -1.880 1.00 44.44 N ATOM 905 CA ASP A 64 7.995 -8.948 -1.596 1.00 75.23 C ATOM 906 C ASP A 64 8.957 -8.438 -0.544 1.00 72.44 C ATOM 907 O ASP A 64 9.499 -9.204 0.265 1.00 55.54 O ATOM 908 CB ASP A 64 8.754 -9.308 -2.890 1.00 63.42 C ATOM 909 CG ASP A 64 10.037 -10.096 -2.651 1.00 45.24 C ATOM 910 OD1 ASP A 64 9.981 -11.308 -2.354 1.00 12.32 O ATOM 911 OD2 ASP A 64 11.130 -9.500 -2.748 1.00 73.35 O ATOM 0 H ASP A 64 7.287 -7.220 -2.550 1.00 44.44 H new ATOM 0 HA ASP A 64 7.505 -9.845 -1.217 1.00 75.23 H new ATOM 0 HB2 ASP A 64 8.096 -9.889 -3.536 1.00 63.42 H new ATOM 0 HB3 ASP A 64 8.997 -8.390 -3.425 1.00 63.42 H new ATOM 916 N GLN A 65 9.105 -7.137 -0.541 1.00 12.45 N ATOM 917 CA GLN A 65 10.016 -6.431 0.330 1.00 1.42 C ATOM 918 C GLN A 65 9.448 -6.397 1.747 1.00 22.41 C ATOM 919 O GLN A 65 8.410 -5.773 1.968 1.00 74.33 O ATOM 920 CB GLN A 65 10.185 -5.007 -0.201 1.00 41.32 C ATOM 921 CG GLN A 65 10.609 -4.958 -1.665 1.00 14.53 C ATOM 922 CD GLN A 65 10.587 -3.563 -2.261 1.00 65.43 C ATOM 923 OE1 GLN A 65 10.350 -3.397 -3.450 1.00 0.25 O ATOM 924 NE2 GLN A 65 10.857 -2.562 -1.472 1.00 62.04 N ATOM 0 H GLN A 65 8.581 -6.520 -1.162 1.00 12.45 H new ATOM 0 HA GLN A 65 10.982 -6.935 0.354 1.00 1.42 H new ATOM 0 HB2 GLN A 65 9.245 -4.468 -0.084 1.00 41.32 H new ATOM 0 HB3 GLN A 65 10.928 -4.487 0.403 1.00 41.32 H new ATOM 0 HG2 GLN A 65 11.615 -5.366 -1.756 1.00 14.53 H new ATOM 0 HG3 GLN A 65 9.950 -5.602 -2.247 1.00 14.53 H new ATOM 0 HE21 GLN A 65 11.051 -2.729 -0.485 1.00 62.04 H new ATOM 0 HE22 GLN A 65 10.874 -1.612 -1.842 1.00 62.04 H new ATOM 933 N PRO A 66 10.131 -7.044 2.733 1.00 50.13 N ATOM 934 CA PRO A 66 9.639 -7.142 4.124 1.00 52.41 C ATOM 935 C PRO A 66 9.404 -5.772 4.756 1.00 4.25 C ATOM 936 O PRO A 66 8.600 -5.613 5.658 1.00 25.51 O ATOM 937 CB PRO A 66 10.752 -7.900 4.867 1.00 74.01 C ATOM 938 CG PRO A 66 11.946 -7.818 3.980 1.00 62.02 C ATOM 939 CD PRO A 66 11.427 -7.733 2.571 1.00 42.01 C ATOM 0 HA PRO A 66 8.673 -7.646 4.171 1.00 52.41 H new ATOM 0 HB2 PRO A 66 10.953 -7.450 5.839 1.00 74.01 H new ATOM 0 HB3 PRO A 66 10.468 -8.937 5.049 1.00 74.01 H new ATOM 0 HG2 PRO A 66 12.551 -6.945 4.224 1.00 62.02 H new ATOM 0 HG3 PRO A 66 12.584 -8.693 4.106 1.00 62.02 H new ATOM 0 HD2 PRO A 66 12.103 -7.173 1.925 1.00 42.01 H new ATOM 0 HD3 PRO A 66 11.306 -8.720 2.126 1.00 42.01 H new ATOM 947 N THR A 67 10.138 -4.801 4.310 1.00 33.41 N ATOM 948 CA THR A 67 9.934 -3.460 4.723 1.00 54.25 C ATOM 949 C THR A 67 10.017 -2.554 3.508 1.00 53.31 C ATOM 950 O THR A 67 11.073 -2.405 2.908 1.00 54.01 O ATOM 951 CB THR A 67 10.947 -3.040 5.806 1.00 62.35 C ATOM 952 OG1 THR A 67 10.825 -3.944 6.924 1.00 25.33 O ATOM 953 CG2 THR A 67 10.674 -1.611 6.279 1.00 5.14 C ATOM 0 H THR A 67 10.900 -4.924 3.644 1.00 33.41 H new ATOM 0 HA THR A 67 8.945 -3.372 5.173 1.00 54.25 H new ATOM 0 HB THR A 67 11.953 -3.078 5.389 1.00 62.35 H new ATOM 0 HG1 THR A 67 11.465 -3.690 7.621 1.00 25.33 H new ATOM 0 HG21 THR A 67 11.401 -1.336 7.043 1.00 5.14 H new ATOM 0 HG22 THR A 67 10.758 -0.926 5.435 1.00 5.14 H new ATOM 0 HG23 THR A 67 9.669 -1.552 6.696 1.00 5.14 H new ATOM 961 N THR A 68 8.906 -2.015 3.123 1.00 35.20 N ATOM 962 CA THR A 68 8.846 -1.130 2.002 1.00 4.43 C ATOM 963 C THR A 68 8.674 0.304 2.528 1.00 42.23 C ATOM 964 O THR A 68 7.666 0.619 3.170 1.00 45.30 O ATOM 965 CB THR A 68 7.664 -1.516 1.087 1.00 73.33 C ATOM 966 OG1 THR A 68 7.731 -2.928 0.801 1.00 51.22 O ATOM 967 CG2 THR A 68 7.730 -0.753 -0.225 1.00 2.21 C ATOM 0 H THR A 68 8.008 -2.176 3.579 1.00 35.20 H new ATOM 0 HA THR A 68 9.763 -1.200 1.416 1.00 4.43 H new ATOM 0 HB THR A 68 6.733 -1.269 1.598 1.00 73.33 H new ATOM 0 HG1 THR A 68 7.493 -3.083 -0.137 1.00 51.22 H new ATOM 0 HG21 THR A 68 6.888 -1.040 -0.855 1.00 2.21 H new ATOM 0 HG22 THR A 68 7.686 0.318 -0.026 1.00 2.21 H new ATOM 0 HG23 THR A 68 8.663 -0.989 -0.737 1.00 2.21 H new ATOM 975 N THR A 69 9.664 1.137 2.312 1.00 2.22 N ATOM 976 CA THR A 69 9.619 2.497 2.786 1.00 23.44 C ATOM 977 C THR A 69 9.030 3.409 1.697 1.00 42.25 C ATOM 978 O THR A 69 9.394 3.294 0.517 1.00 3.34 O ATOM 979 CB THR A 69 11.045 2.972 3.184 1.00 71.12 C ATOM 980 OG1 THR A 69 11.918 2.836 2.061 1.00 41.11 O ATOM 981 CG2 THR A 69 11.602 2.128 4.323 1.00 43.32 C ATOM 0 H THR A 69 10.516 0.893 1.807 1.00 2.22 H new ATOM 0 HA THR A 69 8.981 2.548 3.668 1.00 23.44 H new ATOM 0 HB THR A 69 10.980 4.012 3.504 1.00 71.12 H new ATOM 0 HG1 THR A 69 12.818 3.136 2.308 1.00 41.11 H new ATOM 0 HG21 THR A 69 12.600 2.480 4.583 1.00 43.32 H new ATOM 0 HG22 THR A 69 10.950 2.214 5.192 1.00 43.32 H new ATOM 0 HG23 THR A 69 11.655 1.085 4.011 1.00 43.32 H new ATOM 989 N ALA A 70 8.105 4.276 2.068 1.00 4.01 N ATOM 990 CA ALA A 70 7.480 5.164 1.107 1.00 63.23 C ATOM 991 C ALA A 70 7.565 6.606 1.561 1.00 33.31 C ATOM 992 O ALA A 70 7.298 6.914 2.735 1.00 15.21 O ATOM 993 CB ALA A 70 6.024 4.779 0.905 1.00 4.23 C ATOM 0 H ALA A 70 7.771 4.383 3.026 1.00 4.01 H new ATOM 0 HA ALA A 70 8.016 5.065 0.163 1.00 63.23 H new ATOM 0 HB1 ALA A 70 5.566 5.453 0.181 1.00 4.23 H new ATOM 0 HB2 ALA A 70 5.966 3.756 0.534 1.00 4.23 H new ATOM 0 HB3 ALA A 70 5.493 4.851 1.854 1.00 4.23 H new ATOM 999 N GLY A 71 7.951 7.488 0.663 1.00 54.22 N ATOM 1000 CA GLY A 71 7.969 8.886 0.994 1.00 12.23 C ATOM 1001 C GLY A 71 8.820 9.721 0.079 1.00 11.52 C ATOM 1002 O GLY A 71 8.463 9.956 -1.074 1.00 63.33 O ATOM 0 H GLY A 71 8.251 7.262 -0.285 1.00 54.22 H new ATOM 0 HA2 GLY A 71 6.948 9.267 0.972 1.00 12.23 H new ATOM 0 HA3 GLY A 71 8.330 9.002 2.016 1.00 12.23 H new ATOM 1006 N ARG A 72 9.964 10.118 0.575 1.00 40.33 N ATOM 1007 CA ARG A 72 10.839 11.004 -0.108 1.00 61.12 C ATOM 1008 C ARG A 72 11.787 10.185 -0.912 1.00 42.14 C ATOM 1009 O ARG A 72 12.712 9.610 -0.371 1.00 75.55 O ATOM 1010 CB ARG A 72 11.607 11.900 0.876 1.00 41.23 C ATOM 1011 CG ARG A 72 12.555 12.889 0.203 1.00 35.15 C ATOM 1012 CD ARG A 72 13.356 13.681 1.215 1.00 41.44 C ATOM 1013 NE ARG A 72 14.298 14.606 0.566 1.00 11.05 N ATOM 1014 CZ ARG A 72 15.396 15.111 1.142 1.00 74.14 C ATOM 1015 NH1 ARG A 72 15.789 14.674 2.325 1.00 41.41 N ATOM 1016 NH2 ARG A 72 16.131 16.000 0.497 1.00 52.14 N ATOM 0 H ARG A 72 10.311 9.821 1.487 1.00 40.33 H new ATOM 0 HA ARG A 72 10.259 11.662 -0.755 1.00 61.12 H new ATOM 0 HB2 ARG A 72 10.891 12.454 1.482 1.00 41.23 H new ATOM 0 HB3 ARG A 72 12.179 11.269 1.556 1.00 41.23 H new ATOM 0 HG2 ARG A 72 13.235 12.349 -0.456 1.00 35.15 H new ATOM 0 HG3 ARG A 72 11.982 13.573 -0.422 1.00 35.15 H new ATOM 0 HD2 ARG A 72 12.677 14.244 1.855 1.00 41.44 H new ATOM 0 HD3 ARG A 72 13.906 12.995 1.859 1.00 41.44 H new ATOM 0 HE ARG A 72 14.100 14.884 -0.395 1.00 11.05 H new ATOM 0 HH11 ARG A 72 15.255 13.949 2.804 1.00 41.41 H new ATOM 0 HH12 ARG A 72 16.626 15.062 2.760 1.00 41.41 H new ATOM 0 HH21 ARG A 72 15.862 16.301 -0.440 1.00 52.14 H new ATOM 0 HH22 ARG A 72 16.968 16.385 0.936 1.00 52.14 H new ATOM 1030 N HIS A 73 11.459 10.098 -2.170 1.00 31.14 N ATOM 1031 CA HIS A 73 12.182 9.362 -3.259 1.00 44.44 C ATOM 1032 C HIS A 73 13.633 8.877 -2.894 1.00 14.45 C ATOM 1033 O HIS A 73 13.831 7.680 -2.741 1.00 73.24 O ATOM 1034 CB HIS A 73 12.189 10.162 -4.602 1.00 23.11 C ATOM 1035 CG HIS A 73 10.841 10.556 -5.167 1.00 33.53 C ATOM 1036 ND1 HIS A 73 10.387 10.174 -6.414 1.00 23.11 N ATOM 1037 CD2 HIS A 73 9.898 11.395 -4.674 1.00 73.43 C ATOM 1038 CE1 HIS A 73 9.219 10.787 -6.637 1.00 41.04 C ATOM 1039 NE2 HIS A 73 8.875 11.544 -5.606 1.00 10.15 N ATOM 0 H HIS A 73 10.622 10.562 -2.524 1.00 31.14 H new ATOM 0 HA HIS A 73 11.598 8.451 -3.389 1.00 44.44 H new ATOM 0 HB2 HIS A 73 12.774 11.070 -4.454 1.00 23.11 H new ATOM 0 HB3 HIS A 73 12.710 9.565 -5.351 1.00 23.11 H new ATOM 0 HD2 HIS A 73 9.935 11.874 -3.707 1.00 73.43 H new ATOM 0 HE1 HIS A 73 8.634 10.679 -7.538 1.00 41.04 H new ATOM 0 HE2 HIS A 73 8.036 12.116 -5.514 1.00 10.15 H new ATOM 1047 N PRO A 74 14.660 9.789 -2.703 1.00 24.50 N ATOM 1048 CA PRO A 74 16.055 9.359 -2.407 1.00 1.53 C ATOM 1049 C PRO A 74 16.232 8.662 -1.041 1.00 14.25 C ATOM 1050 O PRO A 74 17.188 7.898 -0.839 1.00 22.54 O ATOM 1051 CB PRO A 74 16.844 10.678 -2.417 1.00 64.33 C ATOM 1052 CG PRO A 74 15.832 11.723 -2.105 1.00 24.44 C ATOM 1053 CD PRO A 74 14.574 11.273 -2.778 1.00 53.32 C ATOM 0 HA PRO A 74 16.385 8.616 -3.133 1.00 1.53 H new ATOM 0 HB2 PRO A 74 17.644 10.667 -1.677 1.00 64.33 H new ATOM 0 HB3 PRO A 74 17.310 10.854 -3.387 1.00 64.33 H new ATOM 0 HG2 PRO A 74 15.688 11.821 -1.029 1.00 24.44 H new ATOM 0 HG3 PRO A 74 16.148 12.698 -2.475 1.00 24.44 H new ATOM 0 HD2 PRO A 74 13.688 11.651 -2.269 1.00 53.32 H new ATOM 0 HD3 PRO A 74 14.522 11.622 -3.809 1.00 53.32 H new ATOM 1061 N GLU A 75 15.318 8.901 -0.125 1.00 13.25 N ATOM 1062 CA GLU A 75 15.427 8.383 1.228 1.00 1.45 C ATOM 1063 C GLU A 75 14.342 7.352 1.496 1.00 12.10 C ATOM 1064 O GLU A 75 14.003 7.054 2.654 1.00 71.31 O ATOM 1065 CB GLU A 75 15.305 9.507 2.245 1.00 40.42 C ATOM 1066 CG GLU A 75 16.293 10.638 2.072 1.00 71.14 C ATOM 1067 CD GLU A 75 16.268 11.579 3.244 1.00 42.05 C ATOM 1068 OE1 GLU A 75 15.256 12.280 3.443 1.00 10.50 O ATOM 1069 OE2 GLU A 75 17.274 11.623 4.001 1.00 61.24 O ATOM 0 H GLU A 75 14.480 9.458 -0.293 1.00 13.25 H new ATOM 0 HA GLU A 75 16.405 7.913 1.325 1.00 1.45 H new ATOM 0 HB2 GLU A 75 14.296 9.916 2.193 1.00 40.42 H new ATOM 0 HB3 GLU A 75 15.428 9.088 3.244 1.00 40.42 H new ATOM 0 HG2 GLU A 75 17.297 10.230 1.954 1.00 71.14 H new ATOM 0 HG3 GLU A 75 16.062 11.187 1.159 1.00 71.14 H new ATOM 1076 N SER A 76 13.773 6.841 0.451 1.00 24.01 N ATOM 1077 CA SER A 76 12.761 5.833 0.549 1.00 22.04 C ATOM 1078 C SER A 76 12.926 4.880 -0.608 1.00 22.21 C ATOM 1079 O SER A 76 13.678 5.165 -1.546 1.00 5.25 O ATOM 1080 CB SER A 76 11.372 6.484 0.523 1.00 71.12 C ATOM 1081 OG SER A 76 11.251 7.443 1.575 1.00 71.41 O ATOM 0 H SER A 76 13.999 7.113 -0.506 1.00 24.01 H new ATOM 0 HA SER A 76 12.859 5.287 1.487 1.00 22.04 H new ATOM 0 HB2 SER A 76 11.209 6.968 -0.440 1.00 71.12 H new ATOM 0 HB3 SER A 76 10.603 5.719 0.630 1.00 71.12 H new ATOM 0 HG SER A 76 11.651 8.292 1.292 1.00 71.41 H new ATOM 1087 N ASP A 77 12.291 3.756 -0.532 1.00 52.34 N ATOM 1088 CA ASP A 77 12.329 2.817 -1.614 1.00 10.23 C ATOM 1089 C ASP A 77 11.327 3.231 -2.666 1.00 21.44 C ATOM 1090 O ASP A 77 11.689 3.497 -3.824 1.00 4.42 O ATOM 1091 CB ASP A 77 12.058 1.404 -1.123 1.00 13.30 C ATOM 1092 CG ASP A 77 12.142 0.402 -2.234 1.00 51.13 C ATOM 1093 OD1 ASP A 77 13.264 0.109 -2.708 1.00 34.30 O ATOM 1094 OD2 ASP A 77 11.109 -0.142 -2.632 1.00 54.52 O ATOM 0 H ASP A 77 11.736 3.461 0.271 1.00 52.34 H new ATOM 0 HA ASP A 77 13.327 2.817 -2.053 1.00 10.23 H new ATOM 0 HB2 ASP A 77 12.777 1.145 -0.346 1.00 13.30 H new ATOM 0 HB3 ASP A 77 11.068 1.361 -0.669 1.00 13.30 H new ATOM 1099 N ILE A 78 10.080 3.350 -2.262 1.00 71.33 N ATOM 1100 CA ILE A 78 9.054 3.780 -3.165 1.00 21.44 C ATOM 1101 C ILE A 78 8.628 5.205 -2.855 1.00 34.51 C ATOM 1102 O ILE A 78 8.940 5.764 -1.778 1.00 44.14 O ATOM 1103 CB ILE A 78 7.807 2.847 -3.218 1.00 52.52 C ATOM 1104 CG1 ILE A 78 7.111 2.761 -1.855 1.00 24.51 C ATOM 1105 CG2 ILE A 78 8.198 1.460 -3.725 1.00 53.43 C ATOM 1106 CD1 ILE A 78 5.795 2.007 -1.878 1.00 21.02 C ATOM 0 H ILE A 78 9.761 3.153 -1.313 1.00 71.33 H new ATOM 0 HA ILE A 78 9.505 3.732 -4.156 1.00 21.44 H new ATOM 0 HB ILE A 78 7.093 3.280 -3.919 1.00 52.52 H new ATOM 0 HG12 ILE A 78 7.783 2.277 -1.146 1.00 24.51 H new ATOM 0 HG13 ILE A 78 6.932 3.771 -1.486 1.00 24.51 H new ATOM 0 HG21 ILE A 78 7.315 0.822 -3.756 1.00 53.43 H new ATOM 0 HG22 ILE A 78 8.620 1.544 -4.727 1.00 53.43 H new ATOM 0 HG23 ILE A 78 8.939 1.023 -3.055 1.00 53.43 H new ATOM 0 HD11 ILE A 78 5.367 1.991 -0.876 1.00 21.02 H new ATOM 0 HD12 ILE A 78 5.104 2.502 -2.560 1.00 21.02 H new ATOM 0 HD13 ILE A 78 5.967 0.985 -2.215 1.00 21.02 H new ATOM 1118 N PHE A 79 7.911 5.766 -3.762 1.00 11.43 N ATOM 1119 CA PHE A 79 7.490 7.126 -3.703 1.00 31.34 C ATOM 1120 C PHE A 79 5.983 7.184 -3.789 1.00 41.24 C ATOM 1121 O PHE A 79 5.389 6.415 -4.516 1.00 54.12 O ATOM 1122 CB PHE A 79 8.112 7.919 -4.873 1.00 12.10 C ATOM 1123 CG PHE A 79 7.640 7.480 -6.254 1.00 74.45 C ATOM 1124 CD1 PHE A 79 8.139 6.328 -6.843 1.00 53.42 C ATOM 1125 CD2 PHE A 79 6.673 8.211 -6.939 1.00 52.02 C ATOM 1126 CE1 PHE A 79 7.693 5.917 -8.082 1.00 41.33 C ATOM 1127 CE2 PHE A 79 6.223 7.801 -8.174 1.00 62.14 C ATOM 1128 CZ PHE A 79 6.734 6.652 -8.746 1.00 62.31 C ATOM 0 H PHE A 79 7.588 5.276 -4.596 1.00 11.43 H new ATOM 0 HA PHE A 79 7.819 7.568 -2.763 1.00 31.34 H new ATOM 0 HB2 PHE A 79 7.881 8.976 -4.743 1.00 12.10 H new ATOM 0 HB3 PHE A 79 9.197 7.822 -4.825 1.00 12.10 H new ATOM 0 HD1 PHE A 79 8.886 5.745 -6.325 1.00 53.42 H new ATOM 0 HD2 PHE A 79 6.271 9.110 -6.496 1.00 52.02 H new ATOM 0 HE1 PHE A 79 8.095 5.021 -8.531 1.00 41.33 H new ATOM 0 HE2 PHE A 79 5.472 8.377 -8.695 1.00 62.14 H new ATOM 0 HZ PHE A 79 6.382 6.329 -9.715 1.00 62.31 H new ATOM 1138 N LEU A 80 5.373 7.995 -2.991 1.00 45.33 N ATOM 1139 CA LEU A 80 4.000 8.256 -3.142 1.00 35.42 C ATOM 1140 C LEU A 80 3.896 9.699 -3.530 1.00 5.10 C ATOM 1141 O LEU A 80 4.427 10.573 -2.826 1.00 44.14 O ATOM 1142 CB LEU A 80 3.143 7.952 -1.870 1.00 41.13 C ATOM 1143 CG LEU A 80 3.266 8.857 -0.619 1.00 1.53 C ATOM 1144 CD1 LEU A 80 2.183 8.499 0.384 1.00 54.11 C ATOM 1145 CD2 LEU A 80 4.621 8.726 0.043 1.00 40.42 C ATOM 0 H LEU A 80 5.821 8.490 -2.220 1.00 45.33 H new ATOM 0 HA LEU A 80 3.589 7.589 -3.899 1.00 35.42 H new ATOM 0 HB2 LEU A 80 2.096 7.960 -2.175 1.00 41.13 H new ATOM 0 HB3 LEU A 80 3.376 6.934 -1.558 1.00 41.13 H new ATOM 0 HG LEU A 80 3.149 9.889 -0.949 1.00 1.53 H new ATOM 0 HD11 LEU A 80 2.274 9.139 1.262 1.00 54.11 H new ATOM 0 HD12 LEU A 80 1.203 8.645 -0.071 1.00 54.11 H new ATOM 0 HD13 LEU A 80 2.293 7.456 0.682 1.00 54.11 H new ATOM 0 HD21 LEU A 80 4.664 9.378 0.916 1.00 40.42 H new ATOM 0 HD22 LEU A 80 4.776 7.693 0.354 1.00 40.42 H new ATOM 0 HD23 LEU A 80 5.400 9.013 -0.663 1.00 40.42 H new ATOM 1157 N ASP A 81 3.304 9.971 -4.657 1.00 3.44 N ATOM 1158 CA ASP A 81 3.185 11.343 -5.084 1.00 72.23 C ATOM 1159 C ASP A 81 2.025 12.015 -4.383 1.00 62.02 C ATOM 1160 O ASP A 81 0.906 12.079 -4.889 1.00 14.10 O ATOM 1161 CB ASP A 81 3.106 11.477 -6.606 1.00 31.30 C ATOM 1162 CG ASP A 81 3.110 12.919 -7.068 1.00 24.35 C ATOM 1163 OD1 ASP A 81 4.175 13.565 -7.002 1.00 41.13 O ATOM 1164 OD2 ASP A 81 2.075 13.411 -7.564 1.00 34.11 O ATOM 0 H ASP A 81 2.902 9.279 -5.289 1.00 3.44 H new ATOM 0 HA ASP A 81 4.097 11.863 -4.792 1.00 72.23 H new ATOM 0 HB2 ASP A 81 3.949 10.953 -7.057 1.00 31.30 H new ATOM 0 HB3 ASP A 81 2.199 10.988 -6.963 1.00 31.30 H new ATOM 1169 N ASP A 82 2.277 12.375 -3.157 1.00 2.30 N ATOM 1170 CA ASP A 82 1.324 13.072 -2.322 1.00 13.35 C ATOM 1171 C ASP A 82 1.914 14.453 -1.964 1.00 42.32 C ATOM 1172 O ASP A 82 2.910 14.877 -2.578 1.00 54.45 O ATOM 1173 CB ASP A 82 1.004 12.230 -1.061 1.00 14.50 C ATOM 1174 CG ASP A 82 -0.182 12.767 -0.287 1.00 12.41 C ATOM 1175 OD1 ASP A 82 -1.321 12.437 -0.632 1.00 72.53 O ATOM 1176 OD2 ASP A 82 0.020 13.579 0.632 1.00 45.50 O ATOM 0 H ASP A 82 3.167 12.191 -2.695 1.00 2.30 H new ATOM 0 HA ASP A 82 0.382 13.220 -2.850 1.00 13.35 H new ATOM 0 HB2 ASP A 82 0.803 11.200 -1.358 1.00 14.50 H new ATOM 0 HB3 ASP A 82 1.878 12.210 -0.411 1.00 14.50 H new ATOM 1181 N VAL A 83 1.335 15.148 -1.014 1.00 70.33 N ATOM 1182 CA VAL A 83 1.767 16.468 -0.646 1.00 41.34 C ATOM 1183 C VAL A 83 1.975 16.584 0.888 1.00 63.41 C ATOM 1184 O VAL A 83 2.710 17.460 1.354 1.00 40.51 O ATOM 1185 CB VAL A 83 0.753 17.547 -1.153 1.00 24.11 C ATOM 1186 CG1 VAL A 83 -0.591 17.449 -0.442 1.00 21.21 C ATOM 1187 CG2 VAL A 83 1.332 18.956 -1.060 1.00 3.01 C ATOM 0 H VAL A 83 0.542 14.806 -0.471 1.00 70.33 H new ATOM 0 HA VAL A 83 2.728 16.650 -1.127 1.00 41.34 H new ATOM 0 HB VAL A 83 0.573 17.337 -2.207 1.00 24.11 H new ATOM 0 HG11 VAL A 83 -1.263 18.217 -0.826 1.00 21.21 H new ATOM 0 HG12 VAL A 83 -1.026 16.465 -0.619 1.00 21.21 H new ATOM 0 HG13 VAL A 83 -0.448 17.595 0.629 1.00 21.21 H new ATOM 0 HG21 VAL A 83 0.597 19.676 -1.421 1.00 3.01 H new ATOM 0 HG22 VAL A 83 1.580 19.180 -0.022 1.00 3.01 H new ATOM 0 HG23 VAL A 83 2.233 19.020 -1.670 1.00 3.01 H new ATOM 1197 N THR A 84 1.385 15.677 1.665 1.00 53.54 N ATOM 1198 CA THR A 84 1.491 15.752 3.118 1.00 74.31 C ATOM 1199 C THR A 84 2.576 14.790 3.629 1.00 31.45 C ATOM 1200 O THR A 84 2.645 14.468 4.820 1.00 24.22 O ATOM 1201 CB THR A 84 0.110 15.503 3.831 1.00 70.03 C ATOM 1202 OG1 THR A 84 0.192 15.843 5.237 1.00 2.34 O ATOM 1203 CG2 THR A 84 -0.347 14.057 3.706 1.00 74.21 C ATOM 0 H THR A 84 0.835 14.891 1.317 1.00 53.54 H new ATOM 0 HA THR A 84 1.788 16.769 3.374 1.00 74.31 H new ATOM 0 HB THR A 84 -0.617 16.143 3.331 1.00 70.03 H new ATOM 0 HG1 THR A 84 1.021 15.480 5.614 1.00 2.34 H new ATOM 0 HG21 THR A 84 -1.304 13.933 4.213 1.00 74.21 H new ATOM 0 HG22 THR A 84 -0.458 13.800 2.653 1.00 74.21 H new ATOM 0 HG23 THR A 84 0.394 13.401 4.163 1.00 74.21 H new ATOM 1211 N VAL A 85 3.471 14.425 2.739 1.00 13.13 N ATOM 1212 CA VAL A 85 4.574 13.560 3.073 1.00 52.45 C ATOM 1213 C VAL A 85 5.675 14.402 3.728 1.00 25.42 C ATOM 1214 O VAL A 85 6.282 15.274 3.104 1.00 61.33 O ATOM 1215 CB VAL A 85 5.091 12.773 1.814 1.00 41.40 C ATOM 1216 CG1 VAL A 85 5.352 13.696 0.624 1.00 71.24 C ATOM 1217 CG2 VAL A 85 6.341 11.976 2.147 1.00 30.50 C ATOM 0 H VAL A 85 3.453 14.721 1.763 1.00 13.13 H new ATOM 0 HA VAL A 85 4.244 12.800 3.782 1.00 52.45 H new ATOM 0 HB VAL A 85 4.299 12.082 1.526 1.00 41.40 H new ATOM 0 HG11 VAL A 85 5.708 13.108 -0.222 1.00 71.24 H new ATOM 0 HG12 VAL A 85 4.428 14.205 0.349 1.00 71.24 H new ATOM 0 HG13 VAL A 85 6.107 14.434 0.895 1.00 71.24 H new ATOM 0 HG21 VAL A 85 6.678 11.441 1.259 1.00 30.50 H new ATOM 0 HG22 VAL A 85 7.126 12.654 2.482 1.00 30.50 H new ATOM 0 HG23 VAL A 85 6.116 11.261 2.938 1.00 30.50 H new ATOM 1227 N SER A 86 5.868 14.174 5.000 1.00 12.33 N ATOM 1228 CA SER A 86 6.748 14.993 5.806 1.00 41.03 C ATOM 1229 C SER A 86 8.263 14.694 5.573 1.00 73.43 C ATOM 1230 O SER A 86 8.895 15.296 4.693 1.00 62.24 O ATOM 1231 CB SER A 86 6.330 14.846 7.265 1.00 75.14 C ATOM 1232 OG SER A 86 4.896 14.940 7.371 1.00 21.30 O ATOM 0 H SER A 86 5.420 13.414 5.512 1.00 12.33 H new ATOM 0 HA SER A 86 6.641 16.034 5.500 1.00 41.03 H new ATOM 0 HB2 SER A 86 6.671 13.888 7.656 1.00 75.14 H new ATOM 0 HB3 SER A 86 6.801 15.622 7.868 1.00 75.14 H new ATOM 0 HG SER A 86 4.491 14.091 7.095 1.00 21.30 H new ATOM 1238 N ARG A 87 8.821 13.768 6.332 1.00 0.22 N ATOM 1239 CA ARG A 87 10.228 13.359 6.178 1.00 34.22 C ATOM 1240 C ARG A 87 10.264 12.321 5.076 1.00 24.14 C ATOM 1241 O ARG A 87 11.059 12.364 4.142 1.00 2.02 O ATOM 1242 CB ARG A 87 10.695 12.760 7.509 1.00 50.15 C ATOM 1243 CG ARG A 87 12.093 12.177 7.538 1.00 64.52 C ATOM 1244 CD ARG A 87 13.162 13.201 7.237 1.00 75.43 C ATOM 1245 NE ARG A 87 14.496 12.661 7.495 1.00 2.03 N ATOM 1246 CZ ARG A 87 15.646 13.246 7.142 1.00 64.24 C ATOM 1247 NH1 ARG A 87 15.643 14.333 6.386 1.00 40.44 N ATOM 1248 NH2 ARG A 87 16.799 12.733 7.539 1.00 20.11 N ATOM 0 H ARG A 87 8.324 13.273 7.073 1.00 0.22 H new ATOM 0 HA ARG A 87 10.882 14.193 5.922 1.00 34.22 H new ATOM 0 HB2 ARG A 87 10.634 13.536 8.272 1.00 50.15 H new ATOM 0 HB3 ARG A 87 9.993 11.976 7.795 1.00 50.15 H new ATOM 0 HG2 ARG A 87 12.280 11.742 8.520 1.00 64.52 H new ATOM 0 HG3 ARG A 87 12.159 11.366 6.812 1.00 64.52 H new ATOM 0 HD2 ARG A 87 13.088 13.513 6.195 1.00 75.43 H new ATOM 0 HD3 ARG A 87 13.001 14.089 7.848 1.00 75.43 H new ATOM 0 HE ARG A 87 14.554 11.767 7.983 1.00 2.03 H new ATOM 0 HH11 ARG A 87 14.759 14.731 6.068 1.00 40.44 H new ATOM 0 HH12 ARG A 87 16.525 14.773 6.122 1.00 40.44 H new ATOM 0 HH21 ARG A 87 16.811 11.891 8.115 1.00 20.11 H new ATOM 0 HH22 ARG A 87 17.676 13.179 7.270 1.00 20.11 H new ATOM 1262 N ARG A 88 9.376 11.423 5.240 1.00 14.33 N ATOM 1263 CA ARG A 88 8.987 10.414 4.339 1.00 73.11 C ATOM 1264 C ARG A 88 7.677 10.025 4.926 1.00 13.21 C ATOM 1265 O ARG A 88 7.338 10.592 5.982 1.00 24.33 O ATOM 1266 CB ARG A 88 10.007 9.246 4.187 1.00 44.21 C ATOM 1267 CG ARG A 88 10.294 8.377 5.395 1.00 71.01 C ATOM 1268 CD ARG A 88 11.332 7.326 5.012 1.00 4.43 C ATOM 1269 NE ARG A 88 11.617 6.352 6.077 1.00 74.54 N ATOM 1270 CZ ARG A 88 12.773 5.674 6.188 1.00 3.31 C ATOM 1271 NH1 ARG A 88 13.784 5.936 5.372 1.00 33.02 N ATOM 1272 NH2 ARG A 88 12.905 4.739 7.109 1.00 44.44 N ATOM 0 H ARG A 88 8.843 11.371 6.108 1.00 14.33 H new ATOM 0 HA ARG A 88 8.931 10.740 3.300 1.00 73.11 H new ATOM 0 HB2 ARG A 88 9.651 8.596 3.388 1.00 44.21 H new ATOM 0 HB3 ARG A 88 10.953 9.673 3.853 1.00 44.21 H new ATOM 0 HG2 ARG A 88 10.662 8.987 6.220 1.00 71.01 H new ATOM 0 HG3 ARG A 88 9.379 7.895 5.739 1.00 71.01 H new ATOM 0 HD2 ARG A 88 10.984 6.791 4.128 1.00 4.43 H new ATOM 0 HD3 ARG A 88 12.259 7.829 4.736 1.00 4.43 H new ATOM 0 HE ARG A 88 10.893 6.180 6.775 1.00 74.54 H new ATOM 0 HH11 ARG A 88 13.688 6.655 4.655 1.00 33.02 H new ATOM 0 HH12 ARG A 88 14.658 5.419 5.461 1.00 33.02 H new ATOM 0 HH21 ARG A 88 12.130 4.530 7.738 1.00 44.44 H new ATOM 0 HH22 ARG A 88 13.782 4.225 7.192 1.00 44.44 H new ATOM 1286 N HIS A 89 6.937 9.156 4.356 1.00 43.00 N ATOM 1287 CA HIS A 89 5.615 9.003 4.880 1.00 41.22 C ATOM 1288 C HIS A 89 5.526 7.861 5.866 1.00 35.20 C ATOM 1289 O HIS A 89 5.525 8.077 7.080 1.00 11.14 O ATOM 1290 CB HIS A 89 4.575 8.897 3.766 1.00 34.10 C ATOM 1291 CG HIS A 89 3.199 9.225 4.236 1.00 62.52 C ATOM 1292 ND1 HIS A 89 2.797 10.529 4.360 1.00 35.42 N ATOM 1293 CD2 HIS A 89 2.215 8.413 4.659 1.00 23.40 C ATOM 1294 CE1 HIS A 89 1.583 10.480 4.864 1.00 20.12 C ATOM 1295 NE2 HIS A 89 1.187 9.220 5.066 1.00 12.22 N ATOM 0 H HIS A 89 7.193 8.562 3.567 1.00 43.00 H new ATOM 0 HA HIS A 89 5.382 9.909 5.439 1.00 41.22 H new ATOM 0 HB2 HIS A 89 4.848 9.570 2.953 1.00 34.10 H new ATOM 0 HB3 HIS A 89 4.585 7.886 3.359 1.00 34.10 H new ATOM 0 HD2 HIS A 89 2.232 7.333 4.675 1.00 23.40 H new ATOM 0 HE1 HIS A 89 0.982 11.349 5.087 1.00 20.12 H new ATOM 0 HE2 HIS A 89 0.291 8.918 5.449 1.00 12.22 H new ATOM 1303 N ALA A 90 5.550 6.664 5.374 1.00 1.32 N ATOM 1304 CA ALA A 90 5.360 5.534 6.231 1.00 0.33 C ATOM 1305 C ALA A 90 6.174 4.374 5.755 1.00 54.13 C ATOM 1306 O ALA A 90 6.676 4.371 4.612 1.00 20.32 O ATOM 1307 CB ALA A 90 3.880 5.157 6.291 1.00 22.40 C ATOM 0 H ALA A 90 5.698 6.442 4.389 1.00 1.32 H new ATOM 0 HA ALA A 90 5.693 5.800 7.234 1.00 0.33 H new ATOM 0 HB1 ALA A 90 3.750 4.296 6.946 1.00 22.40 H new ATOM 0 HB2 ALA A 90 3.306 5.998 6.679 1.00 22.40 H new ATOM 0 HB3 ALA A 90 3.527 4.908 5.290 1.00 22.40 H new ATOM 1313 N GLU A 91 6.341 3.421 6.617 1.00 40.04 N ATOM 1314 CA GLU A 91 7.014 2.209 6.285 1.00 62.11 C ATOM 1315 C GLU A 91 6.036 1.068 6.401 1.00 31.25 C ATOM 1316 O GLU A 91 5.365 0.903 7.432 1.00 61.12 O ATOM 1317 CB GLU A 91 8.220 1.979 7.198 1.00 63.43 C ATOM 1318 CG GLU A 91 9.281 3.051 7.070 1.00 62.44 C ATOM 1319 CD GLU A 91 10.491 2.805 7.941 1.00 3.44 C ATOM 1320 OE1 GLU A 91 11.032 1.686 7.941 1.00 75.54 O ATOM 1321 OE2 GLU A 91 10.966 3.750 8.596 1.00 32.30 O ATOM 0 H GLU A 91 6.010 3.465 7.581 1.00 40.04 H new ATOM 0 HA GLU A 91 7.389 2.273 5.264 1.00 62.11 H new ATOM 0 HB2 GLU A 91 7.880 1.935 8.233 1.00 63.43 H new ATOM 0 HB3 GLU A 91 8.663 1.010 6.967 1.00 63.43 H new ATOM 0 HG2 GLU A 91 9.599 3.115 6.029 1.00 62.44 H new ATOM 0 HG3 GLU A 91 8.845 4.016 7.330 1.00 62.44 H new ATOM 1328 N PHE A 92 5.941 0.300 5.364 1.00 74.51 N ATOM 1329 CA PHE A 92 5.055 -0.823 5.337 1.00 24.44 C ATOM 1330 C PHE A 92 5.873 -2.052 5.598 1.00 10.33 C ATOM 1331 O PHE A 92 6.746 -2.404 4.796 1.00 50.43 O ATOM 1332 CB PHE A 92 4.357 -0.932 3.971 1.00 4.13 C ATOM 1333 CG PHE A 92 3.599 0.304 3.566 1.00 3.23 C ATOM 1334 CD1 PHE A 92 2.300 0.510 3.996 1.00 63.14 C ATOM 1335 CD2 PHE A 92 4.190 1.260 2.751 1.00 64.14 C ATOM 1336 CE1 PHE A 92 1.606 1.647 3.625 1.00 14.14 C ATOM 1337 CE2 PHE A 92 3.502 2.395 2.378 1.00 14.15 C ATOM 1338 CZ PHE A 92 2.208 2.590 2.814 1.00 74.23 C ATOM 0 H PHE A 92 6.478 0.433 4.507 1.00 74.51 H new ATOM 0 HA PHE A 92 4.280 -0.708 6.095 1.00 24.44 H new ATOM 0 HB2 PHE A 92 5.105 -1.152 3.210 1.00 4.13 H new ATOM 0 HB3 PHE A 92 3.668 -1.776 3.994 1.00 4.13 H new ATOM 0 HD1 PHE A 92 1.823 -0.225 4.628 1.00 63.14 H new ATOM 0 HD2 PHE A 92 5.202 1.113 2.405 1.00 64.14 H new ATOM 0 HE1 PHE A 92 0.593 1.798 3.969 1.00 14.14 H new ATOM 0 HE2 PHE A 92 3.976 3.131 1.745 1.00 14.15 H new ATOM 0 HZ PHE A 92 1.667 3.478 2.522 1.00 74.23 H new ATOM 1348 N ARG A 93 5.650 -2.670 6.708 1.00 30.34 N ATOM 1349 CA ARG A 93 6.391 -3.834 7.053 1.00 20.44 C ATOM 1350 C ARG A 93 5.490 -5.016 6.805 1.00 15.13 C ATOM 1351 O ARG A 93 4.483 -5.207 7.499 1.00 1.44 O ATOM 1352 CB ARG A 93 6.787 -3.782 8.541 1.00 62.13 C ATOM 1353 CG ARG A 93 7.378 -2.443 8.987 1.00 10.13 C ATOM 1354 CD ARG A 93 7.668 -2.415 10.487 1.00 43.32 C ATOM 1355 NE ARG A 93 8.820 -3.244 10.859 1.00 3.14 N ATOM 1356 CZ ARG A 93 9.050 -3.773 12.069 1.00 53.31 C ATOM 1357 NH1 ARG A 93 8.146 -3.646 13.041 1.00 51.32 N ATOM 1358 NH2 ARG A 93 10.190 -4.417 12.307 1.00 11.54 N ATOM 0 H ARG A 93 4.954 -2.385 7.397 1.00 30.34 H new ATOM 0 HA ARG A 93 7.304 -3.906 6.461 1.00 20.44 H new ATOM 0 HB2 ARG A 93 5.907 -3.998 9.147 1.00 62.13 H new ATOM 0 HB3 ARG A 93 7.512 -4.571 8.740 1.00 62.13 H new ATOM 0 HG2 ARG A 93 8.299 -2.252 8.436 1.00 10.13 H new ATOM 0 HG3 ARG A 93 6.685 -1.640 8.737 1.00 10.13 H new ATOM 0 HD2 ARG A 93 7.851 -1.386 10.798 1.00 43.32 H new ATOM 0 HD3 ARG A 93 6.788 -2.760 11.029 1.00 43.32 H new ATOM 0 HE ARG A 93 9.508 -3.435 10.131 1.00 3.14 H new ATOM 0 HH11 ARG A 93 7.275 -3.145 12.865 1.00 51.32 H new ATOM 0 HH12 ARG A 93 8.325 -4.050 13.960 1.00 51.32 H new ATOM 0 HH21 ARG A 93 10.888 -4.508 11.569 1.00 11.54 H new ATOM 0 HH22 ARG A 93 10.366 -4.820 13.228 1.00 11.54 H new ATOM 1372 N ILE A 94 5.829 -5.808 5.855 1.00 2.34 N ATOM 1373 CA ILE A 94 5.036 -6.938 5.553 1.00 11.50 C ATOM 1374 C ILE A 94 5.908 -8.145 5.733 1.00 51.34 C ATOM 1375 O ILE A 94 6.893 -8.357 5.024 1.00 63.03 O ATOM 1376 CB ILE A 94 4.428 -6.795 4.080 1.00 71.13 C ATOM 1377 CG1 ILE A 94 3.515 -7.979 3.604 1.00 45.13 C ATOM 1378 CG2 ILE A 94 5.493 -6.474 3.045 1.00 74.02 C ATOM 1379 CD1 ILE A 94 4.201 -9.307 3.303 1.00 72.44 C ATOM 0 H ILE A 94 6.657 -5.692 5.270 1.00 2.34 H new ATOM 0 HA ILE A 94 4.176 -7.033 6.215 1.00 11.50 H new ATOM 0 HB ILE A 94 3.755 -5.942 4.166 1.00 71.13 H new ATOM 0 HG12 ILE A 94 2.761 -8.154 4.371 1.00 45.13 H new ATOM 0 HG13 ILE A 94 2.987 -7.659 2.705 1.00 45.13 H new ATOM 0 HG21 ILE A 94 5.030 -6.387 2.062 1.00 74.02 H new ATOM 0 HG22 ILE A 94 5.978 -5.533 3.302 1.00 74.02 H new ATOM 0 HG23 ILE A 94 6.235 -7.272 3.027 1.00 74.02 H new ATOM 0 HD11 ILE A 94 3.457 -10.037 2.985 1.00 72.44 H new ATOM 0 HD12 ILE A 94 4.934 -9.166 2.509 1.00 72.44 H new ATOM 0 HD13 ILE A 94 4.703 -9.669 4.200 1.00 72.44 H new ATOM 1391 N ASN A 95 5.588 -8.886 6.723 1.00 51.33 N ATOM 1392 CA ASN A 95 6.233 -10.088 7.005 1.00 63.12 C ATOM 1393 C ASN A 95 5.279 -11.206 7.024 1.00 12.24 C ATOM 1394 O ASN A 95 4.109 -11.030 7.388 1.00 43.14 O ATOM 1395 CB ASN A 95 7.081 -10.037 8.264 1.00 23.01 C ATOM 1396 CG ASN A 95 8.393 -9.306 8.053 1.00 51.22 C ATOM 1397 OD1 ASN A 95 8.494 -8.105 8.274 1.00 11.51 O ATOM 1398 ND2 ASN A 95 9.398 -10.021 7.597 1.00 71.25 N ATOM 0 H ASN A 95 4.841 -8.655 7.378 1.00 51.33 H new ATOM 0 HA ASN A 95 6.938 -10.261 6.191 1.00 63.12 H new ATOM 0 HB2 ASN A 95 6.518 -9.545 9.057 1.00 23.01 H new ATOM 0 HB3 ASN A 95 7.285 -11.053 8.602 1.00 23.01 H new ATOM 0 HD21 ASN A 95 10.299 -9.578 7.416 1.00 71.25 H new ATOM 0 HD22 ASN A 95 9.277 -11.019 7.425 1.00 71.25 H new ATOM 1405 N GLU A 96 5.754 -12.336 6.621 1.00 70.14 N ATOM 1406 CA GLU A 96 5.014 -13.589 6.645 1.00 23.11 C ATOM 1407 C GLU A 96 4.666 -13.888 8.091 1.00 42.45 C ATOM 1408 O GLU A 96 3.651 -14.526 8.407 1.00 13.13 O ATOM 1409 CB GLU A 96 5.893 -14.724 6.120 1.00 23.15 C ATOM 1410 CG GLU A 96 6.978 -14.280 5.151 1.00 53.02 C ATOM 1411 CD GLU A 96 8.248 -13.814 5.839 1.00 51.23 C ATOM 1412 OE1 GLU A 96 9.125 -14.633 6.105 1.00 51.22 O ATOM 1413 OE2 GLU A 96 8.380 -12.598 6.135 1.00 74.11 O ATOM 0 H GLU A 96 6.699 -12.435 6.250 1.00 70.14 H new ATOM 0 HA GLU A 96 4.121 -13.507 6.025 1.00 23.11 H new ATOM 0 HB2 GLU A 96 6.362 -15.226 6.966 1.00 23.15 H new ATOM 0 HB3 GLU A 96 5.259 -15.459 5.625 1.00 23.15 H new ATOM 0 HG2 GLU A 96 7.218 -15.107 4.483 1.00 53.02 H new ATOM 0 HG3 GLU A 96 6.592 -13.471 4.531 1.00 53.02 H new ATOM 1420 N GLY A 97 5.547 -13.424 8.947 1.00 62.00 N ATOM 1421 CA GLY A 97 5.367 -13.520 10.361 1.00 32.00 C ATOM 1422 C GLY A 97 4.248 -12.613 10.837 1.00 11.44 C ATOM 1423 O GLY A 97 3.239 -13.101 11.362 1.00 33.31 O ATOM 0 H GLY A 97 6.415 -12.966 8.669 1.00 62.00 H new ATOM 0 HA2 GLY A 97 5.142 -14.552 10.632 1.00 32.00 H new ATOM 0 HA3 GLY A 97 6.295 -13.253 10.867 1.00 32.00 H new ATOM 1427 N GLU A 98 4.402 -11.301 10.631 1.00 32.34 N ATOM 1428 CA GLU A 98 3.413 -10.323 11.051 1.00 32.13 C ATOM 1429 C GLU A 98 3.370 -9.140 10.086 1.00 55.11 C ATOM 1430 O GLU A 98 4.402 -8.728 9.542 1.00 22.02 O ATOM 1431 CB GLU A 98 3.669 -9.818 12.476 1.00 3.44 C ATOM 1432 CG GLU A 98 3.376 -10.819 13.584 1.00 55.24 C ATOM 1433 CD GLU A 98 3.688 -10.276 14.951 1.00 12.32 C ATOM 1434 OE1 GLU A 98 2.931 -9.424 15.456 1.00 11.33 O ATOM 1435 OE2 GLU A 98 4.699 -10.690 15.548 1.00 31.42 O ATOM 0 H GLU A 98 5.216 -10.896 10.169 1.00 32.34 H new ATOM 0 HA GLU A 98 2.448 -10.830 11.041 1.00 32.13 H new ATOM 0 HB2 GLU A 98 4.712 -9.511 12.553 1.00 3.44 H new ATOM 0 HB3 GLU A 98 3.062 -8.928 12.643 1.00 3.44 H new ATOM 0 HG2 GLU A 98 2.325 -11.105 13.542 1.00 55.24 H new ATOM 0 HG3 GLU A 98 3.959 -11.724 13.415 1.00 55.24 H new ATOM 1442 N PHE A 99 2.193 -8.582 9.914 1.00 63.43 N ATOM 1443 CA PHE A 99 1.974 -7.470 9.000 1.00 24.45 C ATOM 1444 C PHE A 99 1.829 -6.184 9.808 1.00 12.42 C ATOM 1445 O PHE A 99 0.902 -6.059 10.605 1.00 45.23 O ATOM 1446 CB PHE A 99 0.683 -7.702 8.205 1.00 21.42 C ATOM 1447 CG PHE A 99 0.597 -9.036 7.515 1.00 24.43 C ATOM 1448 CD1 PHE A 99 1.232 -9.239 6.315 1.00 74.13 C ATOM 1449 CD2 PHE A 99 -0.121 -10.080 8.076 1.00 55.20 C ATOM 1450 CE1 PHE A 99 1.161 -10.458 5.667 1.00 13.33 C ATOM 1451 CE2 PHE A 99 -0.200 -11.303 7.440 1.00 74.44 C ATOM 1452 CZ PHE A 99 0.444 -11.492 6.230 1.00 72.10 C ATOM 0 H PHE A 99 1.352 -8.885 10.405 1.00 63.43 H new ATOM 0 HA PHE A 99 2.818 -7.393 8.314 1.00 24.45 H new ATOM 0 HB2 PHE A 99 -0.166 -7.603 8.881 1.00 21.42 H new ATOM 0 HB3 PHE A 99 0.588 -6.915 7.457 1.00 21.42 H new ATOM 0 HD1 PHE A 99 1.796 -8.433 5.870 1.00 74.13 H new ATOM 0 HD2 PHE A 99 -0.624 -9.936 9.021 1.00 55.20 H new ATOM 0 HE1 PHE A 99 1.666 -10.600 4.723 1.00 13.33 H new ATOM 0 HE2 PHE A 99 -0.763 -12.110 7.886 1.00 74.44 H new ATOM 0 HZ PHE A 99 0.385 -12.447 5.728 1.00 72.10 H new ATOM 1462 N GLU A 100 2.733 -5.252 9.638 1.00 51.31 N ATOM 1463 CA GLU A 100 2.704 -4.011 10.397 1.00 63.22 C ATOM 1464 C GLU A 100 2.900 -2.779 9.545 1.00 4.40 C ATOM 1465 O GLU A 100 3.769 -2.723 8.707 1.00 72.14 O ATOM 1466 CB GLU A 100 3.705 -4.036 11.536 1.00 14.52 C ATOM 1467 CG GLU A 100 3.257 -4.905 12.676 1.00 5.11 C ATOM 1468 CD GLU A 100 4.297 -5.045 13.744 1.00 4.32 C ATOM 1469 OE1 GLU A 100 4.453 -4.118 14.576 1.00 42.52 O ATOM 1470 OE2 GLU A 100 4.980 -6.091 13.780 1.00 41.43 O ATOM 0 H GLU A 100 3.507 -5.323 8.977 1.00 51.31 H new ATOM 0 HA GLU A 100 1.699 -3.944 10.812 1.00 63.22 H new ATOM 0 HB2 GLU A 100 4.664 -4.396 11.164 1.00 14.52 H new ATOM 0 HB3 GLU A 100 3.864 -3.020 11.898 1.00 14.52 H new ATOM 0 HG2 GLU A 100 2.350 -4.486 13.112 1.00 5.11 H new ATOM 0 HG3 GLU A 100 3.000 -5.893 12.294 1.00 5.11 H new ATOM 1477 N VAL A 101 2.109 -1.797 9.783 1.00 24.21 N ATOM 1478 CA VAL A 101 2.250 -0.543 9.077 1.00 14.01 C ATOM 1479 C VAL A 101 2.607 0.551 10.077 1.00 43.12 C ATOM 1480 O VAL A 101 1.886 0.781 11.054 1.00 1.21 O ATOM 1481 CB VAL A 101 0.976 -0.183 8.228 1.00 52.23 C ATOM 1482 CG1 VAL A 101 -0.292 -0.132 9.074 1.00 24.21 C ATOM 1483 CG2 VAL A 101 1.173 1.128 7.473 1.00 12.01 C ATOM 0 H VAL A 101 1.348 -1.822 10.462 1.00 24.21 H new ATOM 0 HA VAL A 101 3.058 -0.638 8.352 1.00 14.01 H new ATOM 0 HB VAL A 101 0.846 -0.986 7.503 1.00 52.23 H new ATOM 0 HG11 VAL A 101 -1.142 0.120 8.440 1.00 24.21 H new ATOM 0 HG12 VAL A 101 -0.460 -1.105 9.536 1.00 24.21 H new ATOM 0 HG13 VAL A 101 -0.181 0.625 9.851 1.00 24.21 H new ATOM 0 HG21 VAL A 101 0.277 1.353 6.894 1.00 12.01 H new ATOM 0 HG22 VAL A 101 1.357 1.933 8.184 1.00 12.01 H new ATOM 0 HG23 VAL A 101 2.026 1.036 6.800 1.00 12.01 H new ATOM 1493 N VAL A 102 3.749 1.156 9.893 1.00 64.20 N ATOM 1494 CA VAL A 102 4.206 2.169 10.810 1.00 72.24 C ATOM 1495 C VAL A 102 4.437 3.524 10.125 1.00 3.51 C ATOM 1496 O VAL A 102 5.053 3.595 9.060 1.00 71.34 O ATOM 1497 CB VAL A 102 5.467 1.697 11.613 1.00 12.13 C ATOM 1498 CG1 VAL A 102 6.656 1.405 10.705 1.00 64.44 C ATOM 1499 CG2 VAL A 102 5.840 2.693 12.694 1.00 23.11 C ATOM 0 H VAL A 102 4.382 0.966 9.116 1.00 64.20 H new ATOM 0 HA VAL A 102 3.402 2.323 11.529 1.00 72.24 H new ATOM 0 HB VAL A 102 5.196 0.759 12.097 1.00 12.13 H new ATOM 0 HG11 VAL A 102 7.504 1.082 11.309 1.00 64.44 H new ATOM 0 HG12 VAL A 102 6.391 0.617 10.000 1.00 64.44 H new ATOM 0 HG13 VAL A 102 6.925 2.307 10.156 1.00 64.44 H new ATOM 0 HG21 VAL A 102 6.718 2.335 13.231 1.00 23.11 H new ATOM 0 HG22 VAL A 102 6.062 3.658 12.239 1.00 23.11 H new ATOM 0 HG23 VAL A 102 5.008 2.803 13.390 1.00 23.11 H new ATOM 1509 N ASP A 103 3.915 4.570 10.713 1.00 71.41 N ATOM 1510 CA ASP A 103 4.174 5.910 10.271 1.00 24.21 C ATOM 1511 C ASP A 103 5.495 6.373 10.872 1.00 53.23 C ATOM 1512 O ASP A 103 5.773 6.117 12.053 1.00 11.11 O ATOM 1513 CB ASP A 103 3.059 6.827 10.735 1.00 60.31 C ATOM 1514 CG ASP A 103 3.315 8.243 10.351 1.00 54.22 C ATOM 1515 OD1 ASP A 103 3.052 8.595 9.210 1.00 44.41 O ATOM 1516 OD2 ASP A 103 3.814 9.031 11.191 1.00 71.33 O ATOM 0 H ASP A 103 3.293 4.511 11.519 1.00 71.41 H new ATOM 0 HA ASP A 103 4.227 5.937 9.183 1.00 24.21 H new ATOM 0 HB2 ASP A 103 2.114 6.498 10.303 1.00 60.31 H new ATOM 0 HB3 ASP A 103 2.957 6.756 11.818 1.00 60.31 H new ATOM 1521 N VAL A 104 6.316 7.019 10.077 1.00 73.40 N ATOM 1522 CA VAL A 104 7.635 7.444 10.549 1.00 32.02 C ATOM 1523 C VAL A 104 7.594 8.840 11.175 1.00 1.22 C ATOM 1524 O VAL A 104 8.503 9.236 11.927 1.00 43.42 O ATOM 1525 CB VAL A 104 8.684 7.442 9.405 1.00 24.20 C ATOM 1526 CG1 VAL A 104 8.691 6.117 8.687 1.00 43.14 C ATOM 1527 CG2 VAL A 104 8.459 8.584 8.425 1.00 53.42 C ATOM 0 H VAL A 104 6.107 7.265 9.109 1.00 73.40 H new ATOM 0 HA VAL A 104 7.929 6.720 11.308 1.00 32.02 H new ATOM 0 HB VAL A 104 9.662 7.594 9.863 1.00 24.20 H new ATOM 0 HG11 VAL A 104 9.434 6.139 7.890 1.00 43.14 H new ATOM 0 HG12 VAL A 104 8.938 5.323 9.391 1.00 43.14 H new ATOM 0 HG13 VAL A 104 7.706 5.929 8.260 1.00 43.14 H new ATOM 0 HG21 VAL A 104 9.215 8.545 7.641 1.00 53.42 H new ATOM 0 HG22 VAL A 104 7.469 8.491 7.979 1.00 53.42 H new ATOM 0 HG23 VAL A 104 8.532 9.535 8.952 1.00 53.42 H new ATOM 1537 N GLY A 105 6.550 9.553 10.899 1.00 25.42 N ATOM 1538 CA GLY A 105 6.459 10.916 11.301 1.00 4.15 C ATOM 1539 C GLY A 105 5.783 11.712 10.235 1.00 0.33 C ATOM 1540 O GLY A 105 6.325 12.704 9.743 1.00 51.13 O ATOM 0 H GLY A 105 5.738 9.206 10.389 1.00 25.42 H new ATOM 0 HA2 GLY A 105 5.901 10.993 12.234 1.00 4.15 H new ATOM 0 HA3 GLY A 105 7.455 11.316 11.491 1.00 4.15 H new ATOM 1544 N SER A 106 4.633 11.257 9.841 1.00 24.02 N ATOM 1545 CA SER A 106 3.862 11.901 8.823 1.00 35.44 C ATOM 1546 C SER A 106 2.399 11.512 9.074 1.00 53.00 C ATOM 1547 O SER A 106 1.546 11.536 8.170 1.00 42.34 O ATOM 1548 CB SER A 106 4.365 11.409 7.449 1.00 11.24 C ATOM 1549 OG SER A 106 4.082 12.346 6.408 1.00 2.13 O ATOM 0 H SER A 106 4.198 10.417 10.223 1.00 24.02 H new ATOM 0 HA SER A 106 3.956 12.987 8.839 1.00 35.44 H new ATOM 0 HB2 SER A 106 5.440 11.235 7.498 1.00 11.24 H new ATOM 0 HB3 SER A 106 3.898 10.453 7.213 1.00 11.24 H new ATOM 0 HG SER A 106 3.653 11.883 5.659 1.00 2.13 H new ATOM 1555 N LEU A 107 2.111 11.254 10.374 1.00 52.10 N ATOM 1556 CA LEU A 107 0.826 10.755 10.888 1.00 0.52 C ATOM 1557 C LEU A 107 -0.297 11.736 10.626 1.00 53.12 C ATOM 1558 O LEU A 107 -1.479 11.427 10.790 1.00 10.04 O ATOM 1559 CB LEU A 107 0.957 10.474 12.385 1.00 61.45 C ATOM 1560 CG LEU A 107 -0.207 9.759 13.062 1.00 60.21 C ATOM 1561 CD1 LEU A 107 -0.385 8.357 12.497 1.00 72.34 C ATOM 1562 CD2 LEU A 107 -0.005 9.717 14.567 1.00 33.25 C ATOM 0 H LEU A 107 2.798 11.395 11.115 1.00 52.10 H new ATOM 0 HA LEU A 107 0.576 9.833 10.364 1.00 0.52 H new ATOM 0 HB2 LEU A 107 1.856 9.878 12.540 1.00 61.45 H new ATOM 0 HB3 LEU A 107 1.113 11.425 12.895 1.00 61.45 H new ATOM 0 HG LEU A 107 -1.119 10.320 12.857 1.00 60.21 H new ATOM 0 HD11 LEU A 107 -1.221 7.867 12.996 1.00 72.34 H new ATOM 0 HD12 LEU A 107 -0.586 8.419 11.427 1.00 72.34 H new ATOM 0 HD13 LEU A 107 0.525 7.780 12.663 1.00 72.34 H new ATOM 0 HD21 LEU A 107 -0.846 9.203 15.033 1.00 33.25 H new ATOM 0 HD22 LEU A 107 0.918 9.184 14.795 1.00 33.25 H new ATOM 0 HD23 LEU A 107 0.058 10.734 14.954 1.00 33.25 H new ATOM 1574 N ASN A 108 0.082 12.919 10.223 1.00 75.53 N ATOM 1575 CA ASN A 108 -0.846 13.944 9.798 1.00 11.31 C ATOM 1576 C ASN A 108 -1.647 13.440 8.594 1.00 1.41 C ATOM 1577 O ASN A 108 -2.778 13.852 8.372 1.00 72.23 O ATOM 1578 CB ASN A 108 -0.073 15.211 9.429 1.00 4.14 C ATOM 1579 CG ASN A 108 -0.962 16.369 9.006 1.00 30.20 C ATOM 1580 OD1 ASN A 108 -1.440 17.125 9.851 1.00 70.21 O ATOM 1581 ND2 ASN A 108 -1.139 16.563 7.725 1.00 15.10 N ATOM 0 H ASN A 108 1.060 13.207 10.178 1.00 75.53 H new ATOM 0 HA ASN A 108 -1.536 14.175 10.609 1.00 11.31 H new ATOM 0 HB2 ASN A 108 0.529 15.520 10.283 1.00 4.14 H new ATOM 0 HB3 ASN A 108 0.619 14.981 8.619 1.00 4.14 H new ATOM 0 HD21 ASN A 108 -1.687 17.360 7.401 1.00 15.10 H new ATOM 0 HD22 ASN A 108 -0.729 15.917 7.050 1.00 15.10 H new ATOM 1588 N GLY A 109 -1.052 12.522 7.838 1.00 65.11 N ATOM 1589 CA GLY A 109 -1.716 11.960 6.704 1.00 64.10 C ATOM 1590 C GLY A 109 -1.823 10.438 6.748 1.00 4.21 C ATOM 1591 O GLY A 109 -2.307 9.842 5.808 1.00 52.43 O ATOM 0 H GLY A 109 -0.112 12.163 8.003 1.00 65.11 H new ATOM 0 HA2 GLY A 109 -2.718 12.384 6.634 1.00 64.10 H new ATOM 0 HA3 GLY A 109 -1.182 12.252 5.800 1.00 64.10 H new ATOM 1595 N THR A 110 -1.379 9.801 7.813 1.00 11.31 N ATOM 1596 CA THR A 110 -1.474 8.348 7.870 1.00 22.34 C ATOM 1597 C THR A 110 -2.649 7.941 8.762 1.00 63.44 C ATOM 1598 O THR A 110 -2.678 8.268 9.954 1.00 53.30 O ATOM 1599 CB THR A 110 -0.141 7.720 8.381 1.00 14.15 C ATOM 1600 OG1 THR A 110 0.935 8.340 7.672 1.00 61.52 O ATOM 1601 CG2 THR A 110 -0.119 6.224 8.062 1.00 24.10 C ATOM 0 H THR A 110 -0.960 10.246 8.630 1.00 11.31 H new ATOM 0 HA THR A 110 -1.650 7.969 6.863 1.00 22.34 H new ATOM 0 HB THR A 110 -0.049 7.868 9.457 1.00 14.15 H new ATOM 0 HG1 THR A 110 1.711 8.425 8.264 1.00 61.52 H new ATOM 0 HG21 THR A 110 0.814 5.789 8.421 1.00 24.10 H new ATOM 0 HG22 THR A 110 -0.960 5.735 8.554 1.00 24.10 H new ATOM 0 HG23 THR A 110 -0.195 6.081 6.984 1.00 24.10 H new ATOM 1609 N TYR A 111 -3.624 7.241 8.189 1.00 61.43 N ATOM 1610 CA TYR A 111 -4.798 6.829 8.939 1.00 13.32 C ATOM 1611 C TYR A 111 -5.173 5.409 8.553 1.00 52.33 C ATOM 1612 O TYR A 111 -5.153 5.054 7.375 1.00 55.25 O ATOM 1613 CB TYR A 111 -6.030 7.695 8.588 1.00 64.53 C ATOM 1614 CG TYR A 111 -5.794 9.172 8.356 1.00 63.45 C ATOM 1615 CD1 TYR A 111 -5.669 10.071 9.401 1.00 0.44 C ATOM 1616 CD2 TYR A 111 -5.722 9.656 7.064 1.00 23.53 C ATOM 1617 CE1 TYR A 111 -5.473 11.421 9.151 1.00 4.23 C ATOM 1618 CE2 TYR A 111 -5.534 10.986 6.805 1.00 13.32 C ATOM 1619 CZ TYR A 111 -5.410 11.867 7.842 1.00 33.21 C ATOM 1620 OH TYR A 111 -5.221 13.207 7.566 1.00 11.32 O ATOM 0 H TYR A 111 -3.621 6.950 7.211 1.00 61.43 H new ATOM 0 HA TYR A 111 -4.548 6.926 9.996 1.00 13.32 H new ATOM 0 HB2 TYR A 111 -6.489 7.281 7.690 1.00 64.53 H new ATOM 0 HB3 TYR A 111 -6.756 7.591 9.394 1.00 64.53 H new ATOM 0 HD1 TYR A 111 -5.725 9.718 10.420 1.00 0.44 H new ATOM 0 HD2 TYR A 111 -5.817 8.967 6.238 1.00 23.53 H new ATOM 0 HE1 TYR A 111 -5.370 12.118 9.970 1.00 4.23 H new ATOM 0 HE2 TYR A 111 -5.484 11.338 5.785 1.00 13.32 H new ATOM 0 HH TYR A 111 -4.267 13.422 7.627 1.00 11.32 H new ATOM 1630 N VAL A 112 -5.511 4.609 9.516 1.00 60.41 N ATOM 1631 CA VAL A 112 -6.071 3.313 9.240 1.00 1.13 C ATOM 1632 C VAL A 112 -7.564 3.430 9.492 1.00 61.12 C ATOM 1633 O VAL A 112 -7.977 3.809 10.600 1.00 3.52 O ATOM 1634 CB VAL A 112 -5.407 2.158 10.070 1.00 21.10 C ATOM 1635 CG1 VAL A 112 -5.471 2.413 11.568 1.00 41.02 C ATOM 1636 CG2 VAL A 112 -6.029 0.808 9.721 1.00 54.40 C ATOM 0 H VAL A 112 -5.410 4.828 10.507 1.00 60.41 H new ATOM 0 HA VAL A 112 -5.872 3.031 8.206 1.00 1.13 H new ATOM 0 HB VAL A 112 -4.353 2.135 9.795 1.00 21.10 H new ATOM 0 HG11 VAL A 112 -4.999 1.586 12.098 1.00 41.02 H new ATOM 0 HG12 VAL A 112 -4.948 3.340 11.802 1.00 41.02 H new ATOM 0 HG13 VAL A 112 -6.512 2.496 11.879 1.00 41.02 H new ATOM 0 HG21 VAL A 112 -5.552 0.024 10.309 1.00 54.40 H new ATOM 0 HG22 VAL A 112 -7.096 0.830 9.944 1.00 54.40 H new ATOM 0 HG23 VAL A 112 -5.884 0.604 8.660 1.00 54.40 H new ATOM 1646 N ASN A 113 -8.360 3.190 8.447 1.00 40.44 N ATOM 1647 CA ASN A 113 -9.817 3.436 8.453 1.00 33.40 C ATOM 1648 C ASN A 113 -10.051 4.931 8.454 1.00 41.31 C ATOM 1649 O ASN A 113 -10.331 5.537 7.410 1.00 60.42 O ATOM 1650 CB ASN A 113 -10.567 2.754 9.639 1.00 11.40 C ATOM 1651 CG ASN A 113 -10.458 1.252 9.623 1.00 23.53 C ATOM 1652 OD1 ASN A 113 -9.545 0.673 10.214 1.00 11.44 O ATOM 1653 ND2 ASN A 113 -11.386 0.610 8.974 1.00 73.33 N ATOM 0 H ASN A 113 -8.015 2.816 7.563 1.00 40.44 H new ATOM 0 HA ASN A 113 -10.233 2.980 7.555 1.00 33.40 H new ATOM 0 HB2 ASN A 113 -10.166 3.131 10.580 1.00 11.40 H new ATOM 0 HB3 ASN A 113 -11.619 3.036 9.606 1.00 11.40 H new ATOM 0 HD21 ASN A 113 -11.374 -0.409 8.942 1.00 73.33 H new ATOM 0 HD22 ASN A 113 -12.125 1.126 8.497 1.00 73.33 H new ATOM 1660 N ARG A 114 -9.890 5.519 9.608 1.00 5.55 N ATOM 1661 CA ARG A 114 -9.945 6.951 9.790 1.00 11.23 C ATOM 1662 C ARG A 114 -9.071 7.334 11.005 1.00 11.51 C ATOM 1663 O ARG A 114 -8.939 8.504 11.351 1.00 54.14 O ATOM 1664 CB ARG A 114 -11.401 7.397 10.034 1.00 53.23 C ATOM 1665 CG ARG A 114 -11.602 8.907 10.024 1.00 22.13 C ATOM 1666 CD ARG A 114 -13.018 9.292 10.387 1.00 73.14 C ATOM 1667 NE ARG A 114 -13.370 8.953 11.784 1.00 13.01 N ATOM 1668 CZ ARG A 114 -14.540 9.282 12.358 1.00 35.23 C ATOM 1669 NH1 ARG A 114 -15.451 9.952 11.663 1.00 50.12 N ATOM 1670 NH2 ARG A 114 -14.801 8.948 13.622 1.00 10.51 N ATOM 0 H ARG A 114 -9.712 5.006 10.472 1.00 5.55 H new ATOM 0 HA ARG A 114 -9.573 7.448 8.894 1.00 11.23 H new ATOM 0 HB2 ARG A 114 -12.038 6.952 9.270 1.00 53.23 H new ATOM 0 HB3 ARG A 114 -11.733 7.004 10.995 1.00 53.23 H new ATOM 0 HG2 ARG A 114 -10.909 9.370 10.727 1.00 22.13 H new ATOM 0 HG3 ARG A 114 -11.362 9.298 9.035 1.00 22.13 H new ATOM 0 HD2 ARG A 114 -13.147 10.364 10.235 1.00 73.14 H new ATOM 0 HD3 ARG A 114 -13.710 8.789 9.712 1.00 73.14 H new ATOM 0 HE ARG A 114 -12.687 8.441 12.342 1.00 13.01 H new ATOM 0 HH11 ARG A 114 -15.262 10.216 10.696 1.00 50.12 H new ATOM 0 HH12 ARG A 114 -16.340 10.203 12.096 1.00 50.12 H new ATOM 0 HH21 ARG A 114 -14.108 8.436 14.168 1.00 10.51 H new ATOM 0 HH22 ARG A 114 -15.694 9.205 14.043 1.00 10.51 H new ATOM 1684 N GLU A 115 -8.425 6.349 11.604 1.00 22.21 N ATOM 1685 CA GLU A 115 -7.734 6.546 12.850 1.00 75.23 C ATOM 1686 C GLU A 115 -6.243 6.692 12.626 1.00 1.10 C ATOM 1687 O GLU A 115 -5.596 5.782 12.081 1.00 4.24 O ATOM 1688 CB GLU A 115 -7.988 5.359 13.786 1.00 64.03 C ATOM 1689 CG GLU A 115 -9.458 5.090 14.073 1.00 33.14 C ATOM 1690 CD GLU A 115 -10.164 6.284 14.662 1.00 22.42 C ATOM 1691 OE1 GLU A 115 -9.932 6.603 15.844 1.00 13.22 O ATOM 1692 OE2 GLU A 115 -10.967 6.930 13.952 1.00 31.33 O ATOM 0 H GLU A 115 -8.369 5.399 11.237 1.00 22.21 H new ATOM 0 HA GLU A 115 -8.114 7.462 13.303 1.00 75.23 H new ATOM 0 HB2 GLU A 115 -7.546 4.464 13.347 1.00 64.03 H new ATOM 0 HB3 GLU A 115 -7.473 5.539 14.730 1.00 64.03 H new ATOM 0 HG2 GLU A 115 -9.957 4.798 13.149 1.00 33.14 H new ATOM 0 HG3 GLU A 115 -9.542 4.248 14.760 1.00 33.14 H new ATOM 1699 N PRO A 116 -5.669 7.831 12.998 1.00 44.02 N ATOM 1700 CA PRO A 116 -4.252 8.015 12.938 1.00 23.31 C ATOM 1701 C PRO A 116 -3.602 7.378 14.164 1.00 12.44 C ATOM 1702 O PRO A 116 -3.535 7.984 15.233 1.00 31.03 O ATOM 1703 CB PRO A 116 -4.052 9.541 12.934 1.00 62.33 C ATOM 1704 CG PRO A 116 -5.404 10.147 13.185 1.00 32.42 C ATOM 1705 CD PRO A 116 -6.352 9.026 13.515 1.00 2.13 C ATOM 0 HA PRO A 116 -3.799 7.551 12.062 1.00 23.31 H new ATOM 0 HB2 PRO A 116 -3.343 9.842 13.705 1.00 62.33 H new ATOM 0 HB3 PRO A 116 -3.647 9.877 11.979 1.00 62.33 H new ATOM 0 HG2 PRO A 116 -5.356 10.862 14.006 1.00 32.42 H new ATOM 0 HG3 PRO A 116 -5.748 10.693 12.306 1.00 32.42 H new ATOM 0 HD2 PRO A 116 -6.529 8.954 14.588 1.00 2.13 H new ATOM 0 HD3 PRO A 116 -7.323 9.169 13.041 1.00 2.13 H new ATOM 1713 N ARG A 117 -3.231 6.116 14.025 1.00 44.31 N ATOM 1714 CA ARG A 117 -2.594 5.369 15.106 1.00 63.22 C ATOM 1715 C ARG A 117 -1.139 5.824 15.257 1.00 72.21 C ATOM 1716 O ARG A 117 -0.864 6.823 15.899 1.00 23.44 O ATOM 1717 CB ARG A 117 -2.668 3.848 14.816 1.00 52.14 C ATOM 1718 CG ARG A 117 -4.079 3.269 14.748 1.00 54.33 C ATOM 1719 CD ARG A 117 -4.566 2.691 16.077 1.00 3.04 C ATOM 1720 NE ARG A 117 -4.549 3.643 17.196 1.00 53.52 N ATOM 1721 CZ ARG A 117 -5.561 3.822 18.058 1.00 73.25 C ATOM 1722 NH1 ARG A 117 -6.749 3.253 17.832 1.00 22.14 N ATOM 1723 NH2 ARG A 117 -5.391 4.581 19.134 1.00 22.22 N ATOM 0 H ARG A 117 -3.360 5.580 13.167 1.00 44.31 H new ATOM 0 HA ARG A 117 -3.119 5.564 16.041 1.00 63.22 H new ATOM 0 HB2 ARG A 117 -2.165 3.650 13.870 1.00 52.14 H new ATOM 0 HB3 ARG A 117 -2.112 3.319 15.590 1.00 52.14 H new ATOM 0 HG2 ARG A 117 -4.768 4.050 14.426 1.00 54.33 H new ATOM 0 HG3 ARG A 117 -4.106 2.487 13.989 1.00 54.33 H new ATOM 0 HD2 ARG A 117 -5.583 2.320 15.947 1.00 3.04 H new ATOM 0 HD3 ARG A 117 -3.945 1.834 16.336 1.00 3.04 H new ATOM 0 HE ARG A 117 -3.709 4.207 17.326 1.00 53.52 H new ATOM 0 HH11 ARG A 117 -6.890 2.679 17.001 1.00 22.14 H new ATOM 0 HH12 ARG A 117 -7.515 3.393 18.491 1.00 22.14 H new ATOM 0 HH21 ARG A 117 -4.491 5.028 19.305 1.00 22.22 H new ATOM 0 HH22 ARG A 117 -6.161 4.717 19.789 1.00 22.22 H new ATOM 1737 N ASN A 118 -0.254 5.098 14.610 1.00 64.13 N ATOM 1738 CA ASN A 118 1.182 5.370 14.502 1.00 24.03 C ATOM 1739 C ASN A 118 1.756 4.116 13.941 1.00 34.44 C ATOM 1740 O ASN A 118 2.296 4.096 12.857 1.00 23.53 O ATOM 1741 CB ASN A 118 1.870 5.699 15.844 1.00 5.41 C ATOM 1742 CG ASN A 118 3.298 6.190 15.641 1.00 60.11 C ATOM 1743 OD1 ASN A 118 3.532 7.379 15.464 1.00 21.42 O ATOM 1744 ND2 ASN A 118 4.254 5.299 15.682 1.00 70.02 N ATOM 0 H ASN A 118 -0.523 4.249 14.112 1.00 64.13 H new ATOM 0 HA ASN A 118 1.343 6.255 13.887 1.00 24.03 H new ATOM 0 HB2 ASN A 118 1.295 6.461 16.370 1.00 5.41 H new ATOM 0 HB3 ASN A 118 1.877 4.811 16.476 1.00 5.41 H new ATOM 0 HD21 ASN A 118 5.225 5.587 15.565 1.00 70.02 H new ATOM 0 HD22 ASN A 118 4.028 4.315 15.831 1.00 70.02 H new ATOM 1751 N ALA A 119 1.578 3.045 14.673 1.00 61.10 N ATOM 1752 CA ALA A 119 1.900 1.741 14.190 1.00 14.41 C ATOM 1753 C ALA A 119 0.641 0.922 14.311 1.00 42.45 C ATOM 1754 O ALA A 119 -0.101 1.059 15.286 1.00 32.24 O ATOM 1755 CB ALA A 119 3.038 1.125 14.993 1.00 30.22 C ATOM 0 H ALA A 119 1.204 3.061 15.622 1.00 61.10 H new ATOM 0 HA ALA A 119 2.243 1.779 13.156 1.00 14.41 H new ATOM 0 HB1 ALA A 119 3.262 0.132 14.603 1.00 30.22 H new ATOM 0 HB2 ALA A 119 3.924 1.755 14.912 1.00 30.22 H new ATOM 0 HB3 ALA A 119 2.744 1.046 16.040 1.00 30.22 H new ATOM 1761 N GLN A 120 0.369 0.137 13.340 1.00 1.43 N ATOM 1762 CA GLN A 120 -0.833 -0.643 13.305 1.00 24.32 C ATOM 1763 C GLN A 120 -0.537 -2.018 12.753 1.00 53.22 C ATOM 1764 O GLN A 120 0.417 -2.182 11.976 1.00 35.51 O ATOM 1765 CB GLN A 120 -1.905 0.092 12.460 1.00 42.12 C ATOM 1766 CG GLN A 120 -3.225 -0.662 12.252 1.00 53.15 C ATOM 1767 CD GLN A 120 -3.964 -0.996 13.543 1.00 62.31 C ATOM 1768 OE1 GLN A 120 -3.886 -0.279 14.540 1.00 71.22 O ATOM 1769 NE2 GLN A 120 -4.666 -2.102 13.536 1.00 13.44 N ATOM 0 H GLN A 120 0.975 0.007 12.530 1.00 1.43 H new ATOM 0 HA GLN A 120 -1.224 -0.766 14.315 1.00 24.32 H new ATOM 0 HB2 GLN A 120 -2.125 1.047 12.938 1.00 42.12 H new ATOM 0 HB3 GLN A 120 -1.479 0.316 11.482 1.00 42.12 H new ATOM 0 HG2 GLN A 120 -3.877 -0.062 11.618 1.00 53.15 H new ATOM 0 HG3 GLN A 120 -3.021 -1.587 11.714 1.00 53.15 H new ATOM 0 HE21 GLN A 120 -4.709 -2.673 12.692 1.00 13.44 H new ATOM 0 HE22 GLN A 120 -5.169 -2.392 14.374 1.00 13.44 H new ATOM 1778 N VAL A 121 -1.291 -2.999 13.176 1.00 75.52 N ATOM 1779 CA VAL A 121 -1.208 -4.296 12.568 1.00 71.25 C ATOM 1780 C VAL A 121 -1.982 -4.184 11.267 1.00 61.55 C ATOM 1781 O VAL A 121 -3.175 -3.828 11.256 1.00 33.42 O ATOM 1782 CB VAL A 121 -1.830 -5.411 13.460 1.00 52.21 C ATOM 1783 CG1 VAL A 121 -1.764 -6.773 12.770 1.00 43.54 C ATOM 1784 CG2 VAL A 121 -1.123 -5.475 14.802 1.00 5.23 C ATOM 0 H VAL A 121 -1.966 -2.923 13.937 1.00 75.52 H new ATOM 0 HA VAL A 121 -0.166 -4.578 12.418 1.00 71.25 H new ATOM 0 HB VAL A 121 -2.878 -5.160 13.622 1.00 52.21 H new ATOM 0 HG11 VAL A 121 -2.206 -7.531 13.417 1.00 43.54 H new ATOM 0 HG12 VAL A 121 -2.315 -6.732 11.831 1.00 43.54 H new ATOM 0 HG13 VAL A 121 -0.724 -7.029 12.569 1.00 43.54 H new ATOM 0 HG21 VAL A 121 -1.571 -6.259 15.412 1.00 5.23 H new ATOM 0 HG22 VAL A 121 -0.067 -5.694 14.647 1.00 5.23 H new ATOM 0 HG23 VAL A 121 -1.223 -4.517 15.312 1.00 5.23 H new ATOM 1794 N MET A 122 -1.280 -4.403 10.189 1.00 35.21 N ATOM 1795 CA MET A 122 -1.799 -4.202 8.861 1.00 72.14 C ATOM 1796 C MET A 122 -2.737 -5.350 8.534 1.00 23.35 C ATOM 1797 O MET A 122 -2.320 -6.498 8.431 1.00 55.12 O ATOM 1798 CB MET A 122 -0.623 -4.100 7.880 1.00 23.22 C ATOM 1799 CG MET A 122 -0.958 -3.523 6.520 1.00 23.21 C ATOM 1800 SD MET A 122 0.529 -3.273 5.514 1.00 31.31 S ATOM 1801 CE MET A 122 -0.146 -2.404 4.104 1.00 62.33 C ATOM 0 H MET A 122 -0.315 -4.732 10.208 1.00 35.21 H new ATOM 0 HA MET A 122 -2.368 -3.275 8.785 1.00 72.14 H new ATOM 0 HB2 MET A 122 0.155 -3.486 8.334 1.00 23.22 H new ATOM 0 HB3 MET A 122 -0.202 -5.096 7.740 1.00 23.22 H new ATOM 0 HG2 MET A 122 -1.642 -4.193 5.999 1.00 23.21 H new ATOM 0 HG3 MET A 122 -1.477 -2.573 6.645 1.00 23.21 H new ATOM 0 HE1 MET A 122 0.313 -2.782 3.190 1.00 62.33 H new ATOM 0 HE2 MET A 122 -1.224 -2.562 4.061 1.00 62.33 H new ATOM 0 HE3 MET A 122 0.061 -1.338 4.200 1.00 62.33 H new ATOM 1811 N GLN A 123 -3.999 -5.033 8.403 1.00 5.35 N ATOM 1812 CA GLN A 123 -5.019 -6.036 8.281 1.00 1.41 C ATOM 1813 C GLN A 123 -5.522 -6.147 6.856 1.00 34.23 C ATOM 1814 O GLN A 123 -5.714 -5.143 6.159 1.00 72.04 O ATOM 1815 CB GLN A 123 -6.165 -5.711 9.258 1.00 72.23 C ATOM 1816 CG GLN A 123 -7.291 -6.749 9.347 1.00 3.43 C ATOM 1817 CD GLN A 123 -6.827 -8.135 9.809 1.00 14.41 C ATOM 1818 OE1 GLN A 123 -5.707 -8.574 9.534 1.00 4.50 O ATOM 1819 NE2 GLN A 123 -7.663 -8.810 10.534 1.00 23.24 N ATOM 0 H GLN A 123 -4.346 -4.074 8.378 1.00 5.35 H new ATOM 0 HA GLN A 123 -4.595 -7.007 8.538 1.00 1.41 H new ATOM 0 HB2 GLN A 123 -5.740 -5.579 10.253 1.00 72.23 H new ATOM 0 HB3 GLN A 123 -6.602 -4.755 8.969 1.00 72.23 H new ATOM 0 HG2 GLN A 123 -8.054 -6.384 10.035 1.00 3.43 H new ATOM 0 HG3 GLN A 123 -7.763 -6.843 8.369 1.00 3.43 H new ATOM 0 HE21 GLN A 123 -8.583 -8.423 10.746 1.00 23.24 H new ATOM 0 HE22 GLN A 123 -7.401 -9.728 10.893 1.00 23.24 H new ATOM 1828 N THR A 124 -5.731 -7.368 6.439 1.00 34.52 N ATOM 1829 CA THR A 124 -6.196 -7.672 5.118 1.00 52.32 C ATOM 1830 C THR A 124 -7.697 -7.447 5.015 1.00 33.34 C ATOM 1831 O THR A 124 -8.465 -7.841 5.904 1.00 51.43 O ATOM 1832 CB THR A 124 -5.827 -9.137 4.697 1.00 12.12 C ATOM 1833 OG1 THR A 124 -6.431 -9.487 3.434 1.00 25.42 O ATOM 1834 CG2 THR A 124 -6.228 -10.159 5.766 1.00 74.30 C ATOM 0 H THR A 124 -5.579 -8.192 7.021 1.00 34.52 H new ATOM 0 HA THR A 124 -5.693 -6.995 4.428 1.00 52.32 H new ATOM 0 HB THR A 124 -4.743 -9.166 4.589 1.00 12.12 H new ATOM 0 HG1 THR A 124 -6.607 -10.451 3.411 1.00 25.42 H new ATOM 0 HG21 THR A 124 -5.954 -11.160 5.433 1.00 74.30 H new ATOM 0 HG22 THR A 124 -5.711 -9.932 6.698 1.00 74.30 H new ATOM 0 HG23 THR A 124 -7.305 -10.113 5.928 1.00 74.30 H new ATOM 1842 N GLY A 125 -8.095 -6.755 3.979 1.00 12.02 N ATOM 1843 CA GLY A 125 -9.490 -6.524 3.742 1.00 53.20 C ATOM 1844 C GLY A 125 -9.933 -5.184 4.242 1.00 41.01 C ATOM 1845 O GLY A 125 -11.137 -4.906 4.315 1.00 52.14 O ATOM 0 H GLY A 125 -7.469 -6.343 3.287 1.00 12.02 H new ATOM 0 HA2 GLY A 125 -9.692 -6.597 2.673 1.00 53.20 H new ATOM 0 HA3 GLY A 125 -10.074 -7.304 4.231 1.00 53.20 H new ATOM 1849 N ASP A 126 -8.989 -4.349 4.600 1.00 14.01 N ATOM 1850 CA ASP A 126 -9.322 -3.024 5.067 1.00 3.40 C ATOM 1851 C ASP A 126 -8.578 -2.011 4.200 1.00 12.54 C ATOM 1852 O ASP A 126 -7.707 -2.398 3.386 1.00 72.53 O ATOM 1853 CB ASP A 126 -8.982 -2.851 6.565 1.00 43.40 C ATOM 1854 CG ASP A 126 -9.831 -1.774 7.241 1.00 43.01 C ATOM 1855 OD1 ASP A 126 -9.736 -0.607 6.880 1.00 54.00 O ATOM 1856 OD2 ASP A 126 -10.659 -2.113 8.116 1.00 52.31 O ATOM 0 H ASP A 126 -7.991 -4.560 4.578 1.00 14.01 H new ATOM 0 HA ASP A 126 -10.396 -2.861 4.978 1.00 3.40 H new ATOM 0 HB2 ASP A 126 -9.130 -3.801 7.079 1.00 43.40 H new ATOM 0 HB3 ASP A 126 -7.928 -2.594 6.667 1.00 43.40 H new ATOM 1861 N GLU A 127 -8.867 -0.758 4.389 1.00 45.55 N ATOM 1862 CA GLU A 127 -8.367 0.292 3.553 1.00 54.05 C ATOM 1863 C GLU A 127 -7.628 1.320 4.406 1.00 4.31 C ATOM 1864 O GLU A 127 -8.187 1.889 5.367 1.00 72.03 O ATOM 1865 CB GLU A 127 -9.545 0.925 2.812 1.00 52.33 C ATOM 1866 CG GLU A 127 -9.195 1.975 1.785 1.00 70.03 C ATOM 1867 CD GLU A 127 -10.434 2.512 1.128 1.00 4.52 C ATOM 1868 OE1 GLU A 127 -11.132 1.761 0.410 1.00 54.30 O ATOM 1869 OE2 GLU A 127 -10.753 3.680 1.325 1.00 62.13 O ATOM 0 H GLU A 127 -9.469 -0.431 5.144 1.00 45.55 H new ATOM 0 HA GLU A 127 -7.661 -0.102 2.822 1.00 54.05 H new ATOM 0 HB2 GLU A 127 -10.104 0.132 2.316 1.00 52.33 H new ATOM 0 HB3 GLU A 127 -10.213 1.373 3.548 1.00 52.33 H new ATOM 0 HG2 GLU A 127 -8.649 2.789 2.262 1.00 70.03 H new ATOM 0 HG3 GLU A 127 -8.535 1.547 1.031 1.00 70.03 H new ATOM 1876 N ILE A 128 -6.397 1.551 4.058 1.00 13.10 N ATOM 1877 CA ILE A 128 -5.530 2.449 4.771 1.00 73.43 C ATOM 1878 C ILE A 128 -5.384 3.727 3.963 1.00 11.10 C ATOM 1879 O ILE A 128 -5.119 3.687 2.758 1.00 50.33 O ATOM 1880 CB ILE A 128 -4.130 1.802 4.997 1.00 62.40 C ATOM 1881 CG1 ILE A 128 -4.281 0.467 5.747 1.00 64.42 C ATOM 1882 CG2 ILE A 128 -3.209 2.751 5.774 1.00 44.40 C ATOM 1883 CD1 ILE A 128 -2.985 -0.295 5.929 1.00 42.01 C ATOM 0 H ILE A 128 -5.955 1.111 3.251 1.00 13.10 H new ATOM 0 HA ILE A 128 -5.962 2.668 5.747 1.00 73.43 H new ATOM 0 HB ILE A 128 -3.677 1.612 4.024 1.00 62.40 H new ATOM 0 HG12 ILE A 128 -4.715 0.662 6.728 1.00 64.42 H new ATOM 0 HG13 ILE A 128 -4.986 -0.163 5.205 1.00 64.42 H new ATOM 0 HG21 ILE A 128 -2.238 2.278 5.919 1.00 44.40 H new ATOM 0 HG22 ILE A 128 -3.081 3.676 5.211 1.00 44.40 H new ATOM 0 HG23 ILE A 128 -3.652 2.975 6.744 1.00 44.40 H new ATOM 0 HD11 ILE A 128 -3.181 -1.223 6.466 1.00 42.01 H new ATOM 0 HD12 ILE A 128 -2.558 -0.524 4.953 1.00 42.01 H new ATOM 0 HD13 ILE A 128 -2.282 0.313 6.499 1.00 42.01 H new ATOM 1895 N GLN A 129 -5.573 4.840 4.598 1.00 22.12 N ATOM 1896 CA GLN A 129 -5.471 6.095 3.930 1.00 23.32 C ATOM 1897 C GLN A 129 -4.100 6.685 4.188 1.00 31.12 C ATOM 1898 O GLN A 129 -3.713 6.922 5.339 1.00 20.41 O ATOM 1899 CB GLN A 129 -6.600 7.031 4.366 1.00 52.22 C ATOM 1900 CG GLN A 129 -6.577 8.394 3.697 1.00 63.01 C ATOM 1901 CD GLN A 129 -7.794 9.229 4.028 1.00 3.10 C ATOM 1902 OE1 GLN A 129 -8.394 9.098 5.100 1.00 23.41 O ATOM 1903 NE2 GLN A 129 -8.180 10.077 3.116 1.00 1.42 N ATOM 0 H GLN A 129 -5.801 4.903 5.590 1.00 22.12 H new ATOM 0 HA GLN A 129 -5.582 5.954 2.855 1.00 23.32 H new ATOM 0 HB2 GLN A 129 -7.556 6.552 4.154 1.00 52.22 H new ATOM 0 HB3 GLN A 129 -6.545 7.169 5.446 1.00 52.22 H new ATOM 0 HG2 GLN A 129 -5.679 8.930 4.005 1.00 63.01 H new ATOM 0 HG3 GLN A 129 -6.515 8.263 2.617 1.00 63.01 H new ATOM 0 HE21 GLN A 129 -7.660 10.158 2.242 1.00 1.42 H new ATOM 0 HE22 GLN A 129 -9.002 10.659 3.276 1.00 1.42 H new ATOM 1912 N ILE A 130 -3.368 6.878 3.128 1.00 44.20 N ATOM 1913 CA ILE A 130 -2.025 7.383 3.192 1.00 32.12 C ATOM 1914 C ILE A 130 -1.922 8.683 2.417 1.00 64.21 C ATOM 1915 O ILE A 130 -2.048 8.723 1.180 1.00 10.14 O ATOM 1916 CB ILE A 130 -0.971 6.338 2.699 1.00 11.41 C ATOM 1917 CG1 ILE A 130 -1.365 5.745 1.323 1.00 5.21 C ATOM 1918 CG2 ILE A 130 -0.784 5.237 3.742 1.00 41.50 C ATOM 1919 CD1 ILE A 130 -0.369 4.752 0.759 1.00 15.33 C ATOM 0 H ILE A 130 -3.692 6.686 2.180 1.00 44.20 H new ATOM 0 HA ILE A 130 -1.793 7.579 4.239 1.00 32.12 H new ATOM 0 HB ILE A 130 -0.019 6.852 2.569 1.00 11.41 H new ATOM 0 HG12 ILE A 130 -2.334 5.255 1.417 1.00 5.21 H new ATOM 0 HG13 ILE A 130 -1.488 6.561 0.611 1.00 5.21 H new ATOM 0 HG21 ILE A 130 -0.047 4.518 3.384 1.00 41.50 H new ATOM 0 HG22 ILE A 130 -0.437 5.677 4.677 1.00 41.50 H new ATOM 0 HG23 ILE A 130 -1.734 4.730 3.910 1.00 41.50 H new ATOM 0 HD11 ILE A 130 -0.724 4.388 -0.205 1.00 15.33 H new ATOM 0 HD12 ILE A 130 0.597 5.240 0.629 1.00 15.33 H new ATOM 0 HD13 ILE A 130 -0.262 3.913 1.447 1.00 15.33 H new ATOM 1931 N GLY A 131 -1.771 9.738 3.146 1.00 50.21 N ATOM 1932 CA GLY A 131 -1.698 11.025 2.560 1.00 52.54 C ATOM 1933 C GLY A 131 -3.079 11.517 2.283 1.00 44.50 C ATOM 1934 O GLY A 131 -3.923 11.572 3.190 1.00 20.21 O ATOM 0 H GLY A 131 -1.695 9.728 4.163 1.00 50.21 H new ATOM 0 HA2 GLY A 131 -1.181 11.713 3.229 1.00 52.54 H new ATOM 0 HA3 GLY A 131 -1.121 10.985 1.636 1.00 52.54 H new ATOM 1938 N LYS A 132 -3.329 11.861 1.066 1.00 12.03 N ATOM 1939 CA LYS A 132 -4.636 12.285 0.652 1.00 21.24 C ATOM 1940 C LYS A 132 -5.324 11.127 -0.090 1.00 54.43 C ATOM 1941 O LYS A 132 -6.504 11.205 -0.445 1.00 12.31 O ATOM 1942 CB LYS A 132 -4.498 13.511 -0.282 1.00 21.51 C ATOM 1943 CG LYS A 132 -5.810 14.207 -0.658 1.00 74.14 C ATOM 1944 CD LYS A 132 -6.470 14.890 0.539 1.00 14.32 C ATOM 1945 CE LYS A 132 -5.641 16.071 1.049 1.00 13.25 C ATOM 1946 NZ LYS A 132 -6.286 16.760 2.190 1.00 15.12 N ATOM 0 H LYS A 132 -2.633 11.858 0.321 1.00 12.03 H new ATOM 0 HA LYS A 132 -5.236 12.563 1.518 1.00 21.24 H new ATOM 0 HB2 LYS A 132 -3.846 14.240 0.199 1.00 21.51 H new ATOM 0 HB3 LYS A 132 -4.000 13.193 -1.198 1.00 21.51 H new ATOM 0 HG2 LYS A 132 -5.616 14.947 -1.434 1.00 74.14 H new ATOM 0 HG3 LYS A 132 -6.498 13.475 -1.081 1.00 74.14 H new ATOM 0 HD2 LYS A 132 -7.463 15.239 0.256 1.00 14.32 H new ATOM 0 HD3 LYS A 132 -6.603 14.166 1.343 1.00 14.32 H new ATOM 0 HE2 LYS A 132 -4.656 15.716 1.352 1.00 13.25 H new ATOM 0 HE3 LYS A 132 -5.488 16.782 0.237 1.00 13.25 H new ATOM 0 HZ1 LYS A 132 -5.688 17.552 2.500 1.00 15.12 H new ATOM 0 HZ2 LYS A 132 -7.215 17.123 1.896 1.00 15.12 H new ATOM 0 HZ3 LYS A 132 -6.408 16.090 2.976 1.00 15.12 H new ATOM 1960 N PHE A 133 -4.597 10.040 -0.279 1.00 64.43 N ATOM 1961 CA PHE A 133 -5.071 8.938 -1.104 1.00 3.40 C ATOM 1962 C PHE A 133 -5.266 7.676 -0.290 1.00 3.41 C ATOM 1963 O PHE A 133 -5.020 7.667 0.916 1.00 33.23 O ATOM 1964 CB PHE A 133 -4.107 8.730 -2.263 1.00 10.41 C ATOM 1965 CG PHE A 133 -3.882 10.006 -3.024 1.00 41.15 C ATOM 1966 CD1 PHE A 133 -4.934 10.629 -3.689 1.00 44.10 C ATOM 1967 CD2 PHE A 133 -2.643 10.610 -3.029 1.00 55.12 C ATOM 1968 CE1 PHE A 133 -4.740 11.823 -4.351 1.00 72.24 C ATOM 1969 CE2 PHE A 133 -2.445 11.803 -3.683 1.00 30.24 C ATOM 1970 CZ PHE A 133 -3.495 12.414 -4.344 1.00 63.11 C ATOM 0 H PHE A 133 -3.673 9.895 0.128 1.00 64.43 H new ATOM 0 HA PHE A 133 -6.051 9.190 -1.509 1.00 3.40 H new ATOM 0 HB2 PHE A 133 -3.155 8.358 -1.884 1.00 10.41 H new ATOM 0 HB3 PHE A 133 -4.502 7.968 -2.935 1.00 10.41 H new ATOM 0 HD1 PHE A 133 -5.913 10.172 -3.687 1.00 44.10 H new ATOM 0 HD2 PHE A 133 -1.818 10.141 -2.513 1.00 55.12 H new ATOM 0 HE1 PHE A 133 -5.560 12.293 -4.873 1.00 72.24 H new ATOM 0 HE2 PHE A 133 -1.468 12.264 -3.681 1.00 30.24 H new ATOM 0 HZ PHE A 133 -3.339 13.353 -4.854 1.00 63.11 H new ATOM 1980 N ARG A 134 -5.694 6.604 -0.930 1.00 24.34 N ATOM 1981 CA ARG A 134 -6.044 5.414 -0.182 1.00 51.43 C ATOM 1982 C ARG A 134 -5.554 4.128 -0.825 1.00 71.31 C ATOM 1983 O ARG A 134 -5.594 3.955 -2.059 1.00 24.13 O ATOM 1984 CB ARG A 134 -7.541 5.390 0.099 1.00 63.22 C ATOM 1985 CG ARG A 134 -8.418 5.455 -1.141 1.00 61.11 C ATOM 1986 CD ARG A 134 -9.856 5.727 -0.762 1.00 63.30 C ATOM 1987 NE ARG A 134 -10.002 7.034 -0.114 1.00 11.34 N ATOM 1988 CZ ARG A 134 -10.369 7.241 1.163 1.00 12.10 C ATOM 1989 NH1 ARG A 134 -10.605 6.219 1.978 1.00 33.32 N ATOM 1990 NH2 ARG A 134 -10.483 8.473 1.617 1.00 54.55 N ATOM 0 H ARG A 134 -5.806 6.533 -1.941 1.00 24.34 H new ATOM 0 HA ARG A 134 -5.516 5.465 0.770 1.00 51.43 H new ATOM 0 HB2 ARG A 134 -7.780 4.480 0.650 1.00 63.22 H new ATOM 0 HB3 ARG A 134 -7.789 6.230 0.748 1.00 63.22 H new ATOM 0 HG2 ARG A 134 -8.057 6.239 -1.807 1.00 61.11 H new ATOM 0 HG3 ARG A 134 -8.352 4.515 -1.689 1.00 61.11 H new ATOM 0 HD2 ARG A 134 -10.482 5.690 -1.654 1.00 63.30 H new ATOM 0 HD3 ARG A 134 -10.211 4.945 -0.091 1.00 63.30 H new ATOM 0 HE ARG A 134 -9.808 7.859 -0.682 1.00 11.34 H new ATOM 0 HH11 ARG A 134 -10.509 5.262 1.638 1.00 33.32 H new ATOM 0 HH12 ARG A 134 -10.883 6.391 2.944 1.00 33.32 H new ATOM 0 HH21 ARG A 134 -10.293 9.263 1.001 1.00 54.55 H new ATOM 0 HH22 ARG A 134 -10.761 8.636 2.585 1.00 54.55 H new ATOM 2004 N LEU A 135 -5.111 3.242 0.022 1.00 73.25 N ATOM 2005 CA LEU A 135 -4.519 1.990 -0.347 1.00 55.42 C ATOM 2006 C LEU A 135 -5.296 0.861 0.329 1.00 54.32 C ATOM 2007 O LEU A 135 -5.574 0.934 1.519 1.00 52.45 O ATOM 2008 CB LEU A 135 -3.086 1.988 0.187 1.00 53.31 C ATOM 2009 CG LEU A 135 -2.205 0.808 -0.179 1.00 24.10 C ATOM 2010 CD1 LEU A 135 -1.834 0.867 -1.648 1.00 63.11 C ATOM 2011 CD2 LEU A 135 -0.968 0.783 0.702 1.00 12.10 C ATOM 0 H LEU A 135 -5.155 3.380 1.032 1.00 73.25 H new ATOM 0 HA LEU A 135 -4.535 1.852 -1.428 1.00 55.42 H new ATOM 0 HB2 LEU A 135 -2.595 2.896 -0.163 1.00 53.31 H new ATOM 0 HB3 LEU A 135 -3.132 2.049 1.274 1.00 53.31 H new ATOM 0 HG LEU A 135 -2.758 -0.116 -0.009 1.00 24.10 H new ATOM 0 HD11 LEU A 135 -1.202 0.015 -1.898 1.00 63.11 H new ATOM 0 HD12 LEU A 135 -2.740 0.837 -2.254 1.00 63.11 H new ATOM 0 HD13 LEU A 135 -1.293 1.792 -1.850 1.00 63.11 H new ATOM 0 HD21 LEU A 135 -0.344 -0.068 0.429 1.00 12.10 H new ATOM 0 HD22 LEU A 135 -0.404 1.705 0.563 1.00 12.10 H new ATOM 0 HD23 LEU A 135 -1.267 0.694 1.746 1.00 12.10 H new ATOM 2023 N VAL A 136 -5.637 -0.162 -0.398 1.00 4.44 N ATOM 2024 CA VAL A 136 -6.346 -1.283 0.192 1.00 41.22 C ATOM 2025 C VAL A 136 -5.375 -2.451 0.277 1.00 74.05 C ATOM 2026 O VAL A 136 -4.656 -2.738 -0.694 1.00 71.41 O ATOM 2027 CB VAL A 136 -7.606 -1.693 -0.636 1.00 51.03 C ATOM 2028 CG1 VAL A 136 -8.420 -2.758 0.085 1.00 4.43 C ATOM 2029 CG2 VAL A 136 -8.479 -0.487 -0.960 1.00 20.33 C ATOM 0 H VAL A 136 -5.442 -0.253 -1.395 1.00 4.44 H new ATOM 0 HA VAL A 136 -6.705 -0.994 1.180 1.00 41.22 H new ATOM 0 HB VAL A 136 -7.248 -2.114 -1.576 1.00 51.03 H new ATOM 0 HG11 VAL A 136 -9.290 -3.021 -0.517 1.00 4.43 H new ATOM 0 HG12 VAL A 136 -7.804 -3.644 0.240 1.00 4.43 H new ATOM 0 HG13 VAL A 136 -8.750 -2.373 1.050 1.00 4.43 H new ATOM 0 HG21 VAL A 136 -9.346 -0.810 -1.537 1.00 20.33 H new ATOM 0 HG22 VAL A 136 -8.813 -0.020 -0.033 1.00 20.33 H new ATOM 0 HG23 VAL A 136 -7.904 0.233 -1.542 1.00 20.33 H new ATOM 2039 N PHE A 137 -5.317 -3.090 1.420 1.00 23.01 N ATOM 2040 CA PHE A 137 -4.377 -4.175 1.636 1.00 12.53 C ATOM 2041 C PHE A 137 -5.088 -5.514 1.583 1.00 34.22 C ATOM 2042 O PHE A 137 -6.056 -5.747 2.328 1.00 71.33 O ATOM 2043 CB PHE A 137 -3.660 -3.989 2.981 1.00 53.20 C ATOM 2044 CG PHE A 137 -2.673 -5.076 3.331 1.00 73.13 C ATOM 2045 CD1 PHE A 137 -1.499 -5.226 2.614 1.00 15.32 C ATOM 2046 CD2 PHE A 137 -2.913 -5.928 4.397 1.00 1.54 C ATOM 2047 CE1 PHE A 137 -0.589 -6.204 2.951 1.00 51.12 C ATOM 2048 CE2 PHE A 137 -2.009 -6.911 4.738 1.00 5.20 C ATOM 2049 CZ PHE A 137 -0.844 -7.047 4.017 1.00 63.45 C ATOM 0 H PHE A 137 -5.911 -2.880 2.222 1.00 23.01 H new ATOM 0 HA PHE A 137 -3.631 -4.159 0.841 1.00 12.53 H new ATOM 0 HB2 PHE A 137 -3.136 -3.033 2.968 1.00 53.20 H new ATOM 0 HB3 PHE A 137 -4.409 -3.931 3.771 1.00 53.20 H new ATOM 0 HD1 PHE A 137 -1.294 -4.569 1.781 1.00 15.32 H new ATOM 0 HD2 PHE A 137 -3.822 -5.820 4.970 1.00 1.54 H new ATOM 0 HE1 PHE A 137 0.323 -6.312 2.383 1.00 51.12 H new ATOM 0 HE2 PHE A 137 -2.214 -7.572 5.567 1.00 5.20 H new ATOM 0 HZ PHE A 137 -0.130 -7.812 4.284 1.00 63.45 H new ATOM 2059 N LEU A 138 -4.630 -6.388 0.712 1.00 63.44 N ATOM 2060 CA LEU A 138 -5.233 -7.690 0.573 1.00 52.51 C ATOM 2061 C LEU A 138 -4.215 -8.783 0.705 1.00 1.23 C ATOM 2062 O LEU A 138 -3.100 -8.697 0.190 1.00 34.15 O ATOM 2063 CB LEU A 138 -5.958 -7.892 -0.774 1.00 40.43 C ATOM 2064 CG LEU A 138 -7.186 -7.032 -1.099 1.00 41.41 C ATOM 2065 CD1 LEU A 138 -8.203 -7.013 0.037 1.00 44.34 C ATOM 2066 CD2 LEU A 138 -6.817 -5.637 -1.578 1.00 4.13 C ATOM 0 H LEU A 138 -3.840 -6.217 0.090 1.00 63.44 H new ATOM 0 HA LEU A 138 -5.966 -7.741 1.378 1.00 52.51 H new ATOM 0 HB2 LEU A 138 -5.227 -7.733 -1.567 1.00 40.43 H new ATOM 0 HB3 LEU A 138 -6.265 -8.936 -0.828 1.00 40.43 H new ATOM 0 HG LEU A 138 -7.680 -7.517 -1.941 1.00 41.41 H new ATOM 0 HD11 LEU A 138 -9.052 -6.390 -0.245 1.00 44.34 H new ATOM 0 HD12 LEU A 138 -8.547 -8.028 0.234 1.00 44.34 H new ATOM 0 HD13 LEU A 138 -7.738 -6.607 0.935 1.00 44.34 H new ATOM 0 HD21 LEU A 138 -7.725 -5.074 -1.793 1.00 4.13 H new ATOM 0 HD22 LEU A 138 -6.248 -5.125 -0.802 1.00 4.13 H new ATOM 0 HD23 LEU A 138 -6.213 -5.711 -2.483 1.00 4.13 H new ATOM 2078 N ALA A 139 -4.591 -9.796 1.388 1.00 21.43 N ATOM 2079 CA ALA A 139 -3.805 -10.982 1.469 1.00 53.41 C ATOM 2080 C ALA A 139 -4.491 -12.028 0.630 1.00 20.03 C ATOM 2081 O ALA A 139 -5.424 -12.699 1.086 1.00 41.03 O ATOM 2082 CB ALA A 139 -3.628 -11.448 2.911 1.00 32.42 C ATOM 0 H ALA A 139 -5.463 -9.833 1.916 1.00 21.43 H new ATOM 0 HA ALA A 139 -2.799 -10.793 1.095 1.00 53.41 H new ATOM 0 HB1 ALA A 139 -3.023 -12.355 2.929 1.00 32.42 H new ATOM 0 HB2 ALA A 139 -3.130 -10.668 3.487 1.00 32.42 H new ATOM 0 HB3 ALA A 139 -4.604 -11.655 3.349 1.00 32.42 H new ATOM 2088 N GLY A 140 -4.097 -12.096 -0.615 1.00 22.52 N ATOM 2089 CA GLY A 140 -4.711 -13.023 -1.531 1.00 1.43 C ATOM 2090 C GLY A 140 -3.937 -14.304 -1.577 1.00 0.23 C ATOM 2091 O GLY A 140 -3.672 -14.892 -0.520 1.00 31.24 O ATOM 0 H GLY A 140 -3.356 -11.523 -1.018 1.00 22.52 H new ATOM 0 HA2 GLY A 140 -5.737 -13.222 -1.223 1.00 1.43 H new ATOM 0 HA3 GLY A 140 -4.757 -12.583 -2.527 1.00 1.43 H new ATOM 2095 N PRO A 141 -3.541 -14.774 -2.767 1.00 2.03 N ATOM 2096 CA PRO A 141 -2.718 -15.957 -2.878 1.00 11.15 C ATOM 2097 C PRO A 141 -1.373 -15.680 -2.257 1.00 53.40 C ATOM 2098 O PRO A 141 -0.677 -14.727 -2.654 1.00 43.11 O ATOM 2099 CB PRO A 141 -2.552 -16.190 -4.374 1.00 63.51 C ATOM 2100 CG PRO A 141 -3.537 -15.292 -5.043 1.00 1.04 C ATOM 2101 CD PRO A 141 -3.849 -14.184 -4.079 1.00 21.22 C ATOM 0 HA PRO A 141 -3.157 -16.820 -2.377 1.00 11.15 H new ATOM 0 HB2 PRO A 141 -1.535 -15.961 -4.694 1.00 63.51 H new ATOM 0 HB3 PRO A 141 -2.739 -17.233 -4.629 1.00 63.51 H new ATOM 0 HG2 PRO A 141 -3.126 -14.892 -5.970 1.00 1.04 H new ATOM 0 HG3 PRO A 141 -4.442 -15.840 -5.306 1.00 1.04 H new ATOM 0 HD2 PRO A 141 -3.242 -13.300 -4.274 1.00 21.22 H new ATOM 0 HD3 PRO A 141 -4.892 -13.876 -4.146 1.00 21.22 H new