USER MOD reduce.3.24.130724 H: found=0, std=0, add=810, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 810 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 94 ASN :FLIP amide:sc= -0.929 F(o=-6.3,f=-2) USER MOD Set 1.2: A 97 THR OG1 : rot -176:sc= -1.04 USER MOD Set 2.1: A 89 TYR OH : rot 30:sc= 1.13 USER MOD Set 2.2: A 92 THR OG1 : rot 69:sc= 1.31 USER MOD Set 3.1: A 24 SER OG : rot -113:sc= 1.5 USER MOD Set 3.2: A 28 TYR OH : rot 88:sc= 1.22 USER MOD Set 3.3: A 81 ASN : amide:sc= -2.86 K(o=0.5,f=-2.1!) USER MOD Set 3.4: A 83 TYR OH : rot -156:sc= 0.642 USER MOD Set 4.1: A 79 TYR OH : rot 180:sc= 0.59 USER MOD Set 4.2: A 113 TYR OH : rot -97:sc= 0.645 USER MOD Set 5.1: A 75 ASN :FLIP amide:sc= -0.686 F(o=-2.8,f=-1.6) USER MOD Set 5.2: A 77 ASN : amide:sc= -0.899 K(o=-1.6,f=-5.8!) USER MOD Set 6.1: A 29 ASN : amide:sc= -16.6! C(o=-21!,f=-22!) USER MOD Set 6.2: A 72 ASN : amide:sc= -4.11! C(o=-21!,f=-22!) USER MOD Set 7.1: A 9 ASN : amide:sc= 0.284 K(o=0.75,f=-6.8!) USER MOD Set 7.2: A 66 TYR OH : rot -111:sc= 0.47 USER MOD Single : A 1 GLY N :NH3+ -126:sc= 0.0974 (180deg=0) USER MOD Single : A 2 HIS : no HD1:sc= -0.0732 X(o=-0.073,f=0) USER MOD Single : A 3 MET CE :methyl 142:sc= -0.241 (180deg=-0.92) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 52:sc= 0.152 USER MOD Single : A 10 MET CE :methyl -170:sc= 0 (180deg=-0.236) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc=0.000736 USER MOD Single : A 20 GLN :FLIP amide:sc= -0.104 F(o=-1.3,f=-0.1) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -0.205 K(o=-0.21,f=-0.8) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 ASN :FLIP amide:sc= -0.293 F(o=-3.7!,f=-0.29) USER MOD Single : A 38 ASN : amide:sc= 0.747 K(o=0.75,f=-4.5!) USER MOD Single : A 39 SER OG : rot 180:sc= 0.0368 USER MOD Single : A 50 GLN :FLIP amide:sc= -0.0185 F(o=-2.3!,f=-0.019) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 98:sc= -2.8 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 TYR OH : rot 50:sc= -1.67! USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 CYS SG : rot -154:sc= -3.75! USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 103 ASN : amide:sc= -0.0166 K(o=-0.017,f=-2.3!) USER MOD Single : A 107 HIS : no HD1:sc= 0 X(o=0,f=-0.0041) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -21.471 1.239 0.519 1.00 9.37 N ATOM 2 CA GLY A 1 -22.085 2.494 0.021 1.00 8.59 C ATOM 3 C GLY A 1 -22.723 2.301 -1.335 1.00 7.91 C ATOM 4 O GLY A 1 -22.906 1.168 -1.779 1.00 8.10 O ATOM 0 H1 GLY A 1 -21.844 1.021 1.465 1.00 9.37 H new ATOM 0 H2 GLY A 1 -21.699 0.460 -0.131 1.00 9.37 H new ATOM 0 H3 GLY A 1 -20.439 1.355 0.572 1.00 9.37 H new ATOM 0 HA2 GLY A 1 -22.836 2.839 0.731 1.00 8.59 H new ATOM 0 HA3 GLY A 1 -21.324 3.272 -0.042 1.00 8.59 H new ATOM 10 N HIS A 2 -23.060 3.399 -1.993 1.00 7.42 N ATOM 11 CA HIS A 2 -23.676 3.335 -3.310 1.00 7.06 C ATOM 12 C HIS A 2 -22.610 3.388 -4.398 1.00 6.29 C ATOM 13 O HIS A 2 -22.677 2.648 -5.378 1.00 6.27 O ATOM 14 CB HIS A 2 -24.678 4.482 -3.489 1.00 7.61 C ATOM 15 CG HIS A 2 -25.476 4.401 -4.758 1.00 7.99 C ATOM 16 ND1 HIS A 2 -26.774 3.942 -4.805 1.00 8.53 N ATOM 17 CD2 HIS A 2 -25.153 4.730 -6.032 1.00 8.23 C ATOM 18 CE1 HIS A 2 -27.212 3.993 -6.049 1.00 9.04 C ATOM 19 NE2 HIS A 2 -26.249 4.467 -6.811 1.00 8.89 N ATOM 0 H HIS A 2 -22.918 4.344 -1.638 1.00 7.42 H new ATOM 0 HA HIS A 2 -24.212 2.390 -3.395 1.00 7.06 H new ATOM 0 HB2 HIS A 2 -25.363 4.489 -2.641 1.00 7.61 H new ATOM 0 HB3 HIS A 2 -24.138 5.429 -3.471 1.00 7.61 H new ATOM 0 HD2 HIS A 2 -24.207 5.126 -6.371 1.00 8.23 H new ATOM 0 HE1 HIS A 2 -28.195 3.696 -6.385 1.00 9.04 H new ATOM 0 HE2 HIS A 2 -26.309 4.615 -7.818 1.00 8.89 H new ATOM 28 N MET A 3 -21.631 4.263 -4.223 1.00 6.00 N ATOM 29 CA MET A 3 -20.576 4.433 -5.213 1.00 5.58 C ATOM 30 C MET A 3 -19.257 4.817 -4.554 1.00 4.91 C ATOM 31 O MET A 3 -19.052 5.972 -4.173 1.00 5.15 O ATOM 32 CB MET A 3 -20.968 5.501 -6.238 1.00 6.12 C ATOM 33 CG MET A 3 -19.880 5.786 -7.266 1.00 6.74 C ATOM 34 SD MET A 3 -20.309 7.125 -8.398 1.00 7.54 S ATOM 35 CE MET A 3 -20.547 8.484 -7.253 1.00 8.13 C ATOM 0 H MET A 3 -21.544 4.867 -3.405 1.00 6.00 H new ATOM 0 HA MET A 3 -20.445 3.478 -5.721 1.00 5.58 H new ATOM 0 HB2 MET A 3 -21.872 5.181 -6.757 1.00 6.12 H new ATOM 0 HB3 MET A 3 -21.212 6.425 -5.713 1.00 6.12 H new ATOM 0 HG2 MET A 3 -18.955 6.039 -6.747 1.00 6.74 H new ATOM 0 HG3 MET A 3 -19.685 4.881 -7.841 1.00 6.74 H new ATOM 0 HE1 MET A 3 -20.158 9.403 -7.693 1.00 8.13 H new ATOM 0 HE2 MET A 3 -21.610 8.603 -7.045 1.00 8.13 H new ATOM 0 HE3 MET A 3 -20.017 8.274 -6.324 1.00 8.13 H new ATOM 45 N SER A 4 -18.371 3.847 -4.412 1.00 4.47 N ATOM 46 CA SER A 4 -17.025 4.109 -3.934 1.00 4.12 C ATOM 47 C SER A 4 -16.074 4.205 -5.120 1.00 2.93 C ATOM 48 O SER A 4 -16.000 3.288 -5.939 1.00 3.19 O ATOM 49 CB SER A 4 -16.568 3.009 -2.976 1.00 5.00 C ATOM 50 OG SER A 4 -17.365 2.980 -1.800 1.00 5.76 O ATOM 0 H SER A 4 -18.561 2.867 -4.622 1.00 4.47 H new ATOM 0 HA SER A 4 -17.021 5.054 -3.391 1.00 4.12 H new ATOM 0 HB2 SER A 4 -16.622 2.043 -3.477 1.00 5.00 H new ATOM 0 HB3 SER A 4 -15.524 3.170 -2.706 1.00 5.00 H new ATOM 0 HG SER A 4 -17.049 2.265 -1.208 1.00 5.76 H new ATOM 56 N ARG A 5 -15.371 5.321 -5.230 1.00 2.17 N ATOM 57 CA ARG A 5 -14.469 5.536 -6.352 1.00 1.45 C ATOM 58 C ARG A 5 -13.202 6.258 -5.915 1.00 1.37 C ATOM 59 O ARG A 5 -12.125 6.019 -6.460 1.00 2.25 O ATOM 60 CB ARG A 5 -15.168 6.323 -7.465 1.00 2.10 C ATOM 61 CG ARG A 5 -15.791 7.631 -6.999 1.00 2.57 C ATOM 62 CD ARG A 5 -16.385 8.407 -8.161 1.00 3.37 C ATOM 63 NE ARG A 5 -17.104 9.597 -7.712 1.00 3.96 N ATOM 64 CZ ARG A 5 -17.483 10.588 -8.517 1.00 4.93 C ATOM 65 NH1 ARG A 5 -17.175 10.557 -9.808 1.00 5.41 N1+ ATOM 66 NH2 ARG A 5 -18.160 11.617 -8.026 1.00 5.73 N ATOM 0 H ARG A 5 -15.407 6.089 -4.560 1.00 2.17 H new ATOM 0 HA ARG A 5 -14.185 4.557 -6.738 1.00 1.45 H new ATOM 0 HB2 ARG A 5 -14.446 6.536 -8.254 1.00 2.10 H new ATOM 0 HB3 ARG A 5 -15.945 5.698 -7.905 1.00 2.10 H new ATOM 0 HG2 ARG A 5 -16.568 7.424 -6.263 1.00 2.57 H new ATOM 0 HG3 ARG A 5 -15.035 8.239 -6.502 1.00 2.57 H new ATOM 0 HD2 ARG A 5 -15.589 8.701 -8.846 1.00 3.37 H new ATOM 0 HD3 ARG A 5 -17.064 7.762 -8.719 1.00 3.37 H new ATOM 0 HE ARG A 5 -17.330 9.674 -6.720 1.00 3.96 H new ATOM 0 HH11 ARG A 5 -16.646 9.772 -10.187 1.00 5.41 H new ATOM 0 HH12 ARG A 5 -17.468 11.318 -10.421 1.00 5.41 H new ATOM 0 HH21 ARG A 5 -18.390 11.649 -7.033 1.00 5.73 H new ATOM 0 HH22 ARG A 5 -18.451 12.377 -8.642 1.00 5.73 H new ATOM 80 N SER A 6 -13.327 7.138 -4.935 1.00 0.64 N ATOM 81 CA SER A 6 -12.186 7.892 -4.458 1.00 0.52 C ATOM 82 C SER A 6 -12.259 8.107 -2.957 1.00 0.51 C ATOM 83 O SER A 6 -12.900 9.039 -2.470 1.00 0.73 O ATOM 84 CB SER A 6 -12.089 9.225 -5.204 1.00 0.63 C ATOM 85 OG SER A 6 -13.336 9.904 -5.206 1.00 1.52 O ATOM 0 H SER A 6 -14.204 7.345 -4.458 1.00 0.64 H new ATOM 0 HA SER A 6 -11.282 7.317 -4.659 1.00 0.52 H new ATOM 0 HB2 SER A 6 -11.331 9.853 -4.736 1.00 0.63 H new ATOM 0 HB3 SER A 6 -11.767 9.048 -6.230 1.00 0.63 H new ATOM 0 HG SER A 6 -13.674 9.969 -4.289 1.00 1.52 H new ATOM 91 N GLU A 7 -11.589 7.225 -2.239 1.00 0.54 N ATOM 92 CA GLU A 7 -11.598 7.233 -0.791 1.00 0.53 C ATOM 93 C GLU A 7 -10.182 7.348 -0.236 1.00 0.44 C ATOM 94 O GLU A 7 -9.864 8.298 0.476 1.00 0.55 O ATOM 95 CB GLU A 7 -12.245 5.957 -0.303 1.00 0.56 C ATOM 96 CG GLU A 7 -13.716 5.888 -0.640 1.00 0.73 C ATOM 97 CD GLU A 7 -14.537 6.919 0.095 1.00 1.22 C ATOM 98 OE1 GLU A 7 -15.185 7.751 -0.570 1.00 2.01 O ATOM 99 OE2 GLU A 7 -14.535 6.904 1.343 1.00 1.37 O1- ATOM 0 H GLU A 7 -11.022 6.481 -2.646 1.00 0.54 H new ATOM 0 HA GLU A 7 -12.163 8.097 -0.441 1.00 0.53 H new ATOM 0 HB2 GLU A 7 -11.734 5.102 -0.746 1.00 0.56 H new ATOM 0 HB3 GLU A 7 -12.119 5.880 0.777 1.00 0.56 H new ATOM 0 HG2 GLU A 7 -13.844 6.027 -1.713 1.00 0.73 H new ATOM 0 HG3 GLU A 7 -14.092 4.893 -0.400 1.00 0.73 H new ATOM 106 N VAL A 8 -9.338 6.376 -0.595 1.00 0.30 N ATOM 107 CA VAL A 8 -7.957 6.292 -0.117 1.00 0.24 C ATOM 108 C VAL A 8 -7.873 6.180 1.408 1.00 0.19 C ATOM 109 O VAL A 8 -8.055 7.160 2.131 1.00 0.28 O ATOM 110 CB VAL A 8 -7.100 7.487 -0.577 1.00 0.32 C ATOM 111 CG1 VAL A 8 -5.681 7.376 -0.040 1.00 0.31 C ATOM 112 CG2 VAL A 8 -7.088 7.594 -2.095 1.00 0.45 C ATOM 0 H VAL A 8 -9.597 5.621 -1.230 1.00 0.30 H new ATOM 0 HA VAL A 8 -7.558 5.380 -0.562 1.00 0.24 H new ATOM 0 HB VAL A 8 -7.548 8.395 -0.173 1.00 0.32 H new ATOM 0 HG11 VAL A 8 -5.096 8.231 -0.378 1.00 0.31 H new ATOM 0 HG12 VAL A 8 -5.704 7.361 1.050 1.00 0.31 H new ATOM 0 HG13 VAL A 8 -5.224 6.456 -0.406 1.00 0.31 H new ATOM 0 HG21 VAL A 8 -6.477 8.445 -2.395 1.00 0.45 H new ATOM 0 HG22 VAL A 8 -6.673 6.681 -2.521 1.00 0.45 H new ATOM 0 HG23 VAL A 8 -8.106 7.733 -2.458 1.00 0.45 H new ATOM 122 N ASN A 9 -7.598 4.975 1.884 1.00 0.15 N ATOM 123 CA ASN A 9 -7.420 4.717 3.302 1.00 0.22 C ATOM 124 C ASN A 9 -6.774 3.346 3.499 1.00 0.16 C ATOM 125 O ASN A 9 -6.270 2.766 2.545 1.00 0.15 O ATOM 126 CB ASN A 9 -8.758 4.803 4.036 1.00 0.41 C ATOM 127 CG ASN A 9 -9.829 3.909 3.455 1.00 0.42 C ATOM 128 OD1 ASN A 9 -10.021 2.785 3.901 1.00 1.41 O ATOM 129 ND2 ASN A 9 -10.529 4.396 2.453 1.00 0.96 N ATOM 0 H ASN A 9 -7.492 4.148 1.296 1.00 0.15 H new ATOM 0 HA ASN A 9 -6.761 5.477 3.723 1.00 0.22 H new ATOM 0 HB2 ASN A 9 -8.606 4.539 5.083 1.00 0.41 H new ATOM 0 HB3 ASN A 9 -9.108 5.835 4.015 1.00 0.41 H new ATOM 0 HD21 ASN A 9 -11.261 3.832 2.021 1.00 0.96 H new ATOM 0 HD22 ASN A 9 -10.340 5.337 2.109 1.00 0.96 H new ATOM 136 N MET A 10 -6.758 2.840 4.729 1.00 0.15 N ATOM 137 CA MET A 10 -6.150 1.538 5.001 1.00 0.12 C ATOM 138 C MET A 10 -7.195 0.435 5.129 1.00 0.08 C ATOM 139 O MET A 10 -6.867 -0.742 5.212 1.00 0.09 O ATOM 140 CB MET A 10 -5.270 1.608 6.244 1.00 0.18 C ATOM 141 CG MET A 10 -4.005 2.416 6.034 1.00 0.39 C ATOM 142 SD MET A 10 -4.286 4.191 5.956 1.00 0.89 S ATOM 143 CE MET A 10 -2.691 4.715 5.340 1.00 0.24 C ATOM 0 H MET A 10 -7.154 3.305 5.546 1.00 0.15 H new ATOM 0 HA MET A 10 -5.523 1.283 4.147 1.00 0.12 H new ATOM 0 HB2 MET A 10 -5.842 2.046 7.062 1.00 0.18 H new ATOM 0 HB3 MET A 10 -5.001 0.597 6.549 1.00 0.18 H new ATOM 0 HG2 MET A 10 -3.309 2.202 6.845 1.00 0.39 H new ATOM 0 HG3 MET A 10 -3.526 2.092 5.110 1.00 0.39 H new ATOM 0 HE1 MET A 10 -2.618 5.801 5.396 1.00 0.24 H new ATOM 0 HE2 MET A 10 -1.902 4.267 5.944 1.00 0.24 H new ATOM 0 HE3 MET A 10 -2.579 4.397 4.304 1.00 0.24 H new ATOM 153 N GLY A 11 -8.432 0.875 5.115 1.00 0.10 N ATOM 154 CA GLY A 11 -9.643 0.046 5.078 1.00 0.10 C ATOM 155 C GLY A 11 -9.869 -0.904 6.246 1.00 0.08 C ATOM 156 O GLY A 11 -11.011 -1.087 6.670 1.00 0.10 O ATOM 0 H GLY A 11 -8.646 1.872 5.130 1.00 0.10 H new ATOM 0 HA2 GLY A 11 -10.505 0.709 5.010 1.00 0.10 H new ATOM 0 HA3 GLY A 11 -9.621 -0.544 4.162 1.00 0.10 H new ATOM 160 N LEU A 12 -8.824 -1.486 6.784 1.00 0.07 N ATOM 161 CA LEU A 12 -8.913 -2.230 8.018 1.00 0.07 C ATOM 162 C LEU A 12 -7.949 -1.658 9.026 1.00 0.08 C ATOM 163 O LEU A 12 -7.135 -0.787 8.710 1.00 0.09 O ATOM 164 CB LEU A 12 -8.657 -3.713 7.790 1.00 0.08 C ATOM 165 CG LEU A 12 -9.587 -4.401 6.788 1.00 0.08 C ATOM 166 CD1 LEU A 12 -9.223 -5.863 6.650 1.00 0.09 C ATOM 167 CD2 LEU A 12 -11.044 -4.279 7.187 1.00 0.11 C ATOM 0 H LEU A 12 -7.888 -1.457 6.379 1.00 0.07 H new ATOM 0 HA LEU A 12 -9.926 -2.137 8.409 1.00 0.07 H new ATOM 0 HB2 LEU A 12 -7.629 -3.837 7.448 1.00 0.08 H new ATOM 0 HB3 LEU A 12 -8.739 -4.228 8.747 1.00 0.08 H new ATOM 0 HG LEU A 12 -9.456 -3.896 5.831 1.00 0.08 H new ATOM 0 HD11 LEU A 12 -9.893 -6.339 5.934 1.00 0.09 H new ATOM 0 HD12 LEU A 12 -8.195 -5.950 6.298 1.00 0.09 H new ATOM 0 HD13 LEU A 12 -9.318 -6.355 7.618 1.00 0.09 H new ATOM 0 HD21 LEU A 12 -11.667 -4.782 6.447 1.00 0.11 H new ATOM 0 HD22 LEU A 12 -11.194 -4.742 8.162 1.00 0.11 H new ATOM 0 HD23 LEU A 12 -11.320 -3.226 7.239 1.00 0.11 H new ATOM 179 N SER A 13 -8.056 -2.142 10.232 1.00 0.10 N ATOM 180 CA SER A 13 -7.171 -1.773 11.287 1.00 0.12 C ATOM 181 C SER A 13 -6.053 -2.800 11.423 1.00 0.13 C ATOM 182 O SER A 13 -6.309 -3.982 11.665 1.00 0.16 O ATOM 183 CB SER A 13 -7.998 -1.681 12.551 1.00 0.15 C ATOM 184 OG SER A 13 -8.783 -0.500 12.566 1.00 1.20 O ATOM 0 H SER A 13 -8.773 -2.813 10.508 1.00 0.10 H new ATOM 0 HA SER A 13 -6.694 -0.814 11.084 1.00 0.12 H new ATOM 0 HB2 SER A 13 -8.647 -2.553 12.628 1.00 0.15 H new ATOM 0 HB3 SER A 13 -7.341 -1.695 13.420 1.00 0.15 H new ATOM 0 HG SER A 13 -9.308 -0.467 13.393 1.00 1.20 H new ATOM 190 N SER A 14 -4.816 -2.351 11.249 1.00 0.13 N ATOM 191 CA SER A 14 -3.662 -3.230 11.371 1.00 0.14 C ATOM 192 C SER A 14 -3.255 -3.369 12.839 1.00 0.17 C ATOM 193 O SER A 14 -2.164 -3.841 13.163 1.00 0.19 O ATOM 194 CB SER A 14 -2.498 -2.697 10.530 1.00 0.16 C ATOM 195 OG SER A 14 -2.200 -1.349 10.859 1.00 0.20 O ATOM 0 H SER A 14 -4.587 -1.383 11.023 1.00 0.13 H new ATOM 0 HA SER A 14 -3.930 -4.218 10.996 1.00 0.14 H new ATOM 0 HB2 SER A 14 -1.616 -3.317 10.692 1.00 0.16 H new ATOM 0 HB3 SER A 14 -2.748 -2.769 9.472 1.00 0.16 H new ATOM 0 HG SER A 14 -1.452 -1.035 10.308 1.00 0.20 H new ATOM 201 N ALA A 15 -4.148 -2.956 13.720 1.00 0.21 N ATOM 202 CA ALA A 15 -3.929 -3.073 15.145 1.00 0.26 C ATOM 203 C ALA A 15 -4.371 -4.444 15.642 1.00 0.28 C ATOM 204 O ALA A 15 -5.567 -4.715 15.763 1.00 0.35 O ATOM 205 CB ALA A 15 -4.680 -1.971 15.869 1.00 0.32 C ATOM 0 H ALA A 15 -5.041 -2.532 13.467 1.00 0.21 H new ATOM 0 HA ALA A 15 -2.864 -2.968 15.352 1.00 0.26 H new ATOM 0 HB1 ALA A 15 -4.513 -2.062 16.942 1.00 0.32 H new ATOM 0 HB2 ALA A 15 -4.321 -1.000 15.527 1.00 0.32 H new ATOM 0 HB3 ALA A 15 -5.746 -2.058 15.659 1.00 0.32 H new ATOM 211 N GLY A 16 -3.400 -5.308 15.910 1.00 0.27 N ATOM 212 CA GLY A 16 -3.698 -6.649 16.380 1.00 0.31 C ATOM 213 C GLY A 16 -3.556 -7.682 15.282 1.00 0.26 C ATOM 214 O GLY A 16 -3.589 -8.887 15.537 1.00 0.31 O ATOM 0 H GLY A 16 -2.406 -5.103 15.810 1.00 0.27 H new ATOM 0 HA2 GLY A 16 -3.029 -6.901 17.203 1.00 0.31 H new ATOM 0 HA3 GLY A 16 -4.714 -6.677 16.774 1.00 0.31 H new ATOM 218 N VAL A 17 -3.395 -7.202 14.059 1.00 0.19 N ATOM 219 CA VAL A 17 -3.260 -8.056 12.897 1.00 0.15 C ATOM 220 C VAL A 17 -1.867 -8.630 12.790 1.00 0.15 C ATOM 221 O VAL A 17 -0.894 -8.051 13.277 1.00 0.18 O ATOM 222 CB VAL A 17 -3.587 -7.272 11.613 1.00 0.12 C ATOM 223 CG1 VAL A 17 -2.523 -6.237 11.328 1.00 0.12 C ATOM 224 CG2 VAL A 17 -3.728 -8.198 10.434 1.00 0.11 C ATOM 0 H VAL A 17 -3.355 -6.205 13.847 1.00 0.19 H new ATOM 0 HA VAL A 17 -3.966 -8.878 13.014 1.00 0.15 H new ATOM 0 HB VAL A 17 -4.538 -6.764 11.772 1.00 0.12 H new ATOM 0 HG11 VAL A 17 -2.776 -5.696 10.416 1.00 0.12 H new ATOM 0 HG12 VAL A 17 -2.465 -5.536 12.161 1.00 0.12 H new ATOM 0 HG13 VAL A 17 -1.560 -6.731 11.201 1.00 0.12 H new ATOM 0 HG21 VAL A 17 -3.959 -7.617 9.541 1.00 0.11 H new ATOM 0 HG22 VAL A 17 -2.794 -8.740 10.283 1.00 0.11 H new ATOM 0 HG23 VAL A 17 -4.533 -8.908 10.623 1.00 0.11 H new ATOM 234 N ALA A 18 -1.787 -9.780 12.156 1.00 0.14 N ATOM 235 CA ALA A 18 -0.520 -10.404 11.904 1.00 0.14 C ATOM 236 C ALA A 18 -0.025 -10.020 10.524 1.00 0.13 C ATOM 237 O ALA A 18 -0.033 -10.813 9.584 1.00 0.13 O ATOM 238 CB ALA A 18 -0.650 -11.904 12.050 1.00 0.16 C ATOM 0 H ALA A 18 -2.593 -10.299 11.807 1.00 0.14 H new ATOM 0 HA ALA A 18 0.213 -10.058 12.633 1.00 0.14 H new ATOM 0 HB1 ALA A 18 0.315 -12.373 11.858 1.00 0.16 H new ATOM 0 HB2 ALA A 18 -0.975 -12.144 13.062 1.00 0.16 H new ATOM 0 HB3 ALA A 18 -1.384 -12.277 11.335 1.00 0.16 H new ATOM 244 N VAL A 19 0.439 -8.797 10.436 1.00 0.12 N ATOM 245 CA VAL A 19 0.846 -8.212 9.171 1.00 0.11 C ATOM 246 C VAL A 19 2.298 -8.515 8.835 1.00 0.11 C ATOM 247 O VAL A 19 3.189 -8.397 9.682 1.00 0.12 O ATOM 248 CB VAL A 19 0.587 -6.691 9.170 1.00 0.11 C ATOM 249 CG1 VAL A 19 0.829 -6.116 10.541 1.00 0.12 C ATOM 250 CG2 VAL A 19 1.452 -5.988 8.150 1.00 0.11 C ATOM 0 H VAL A 19 0.547 -8.175 11.237 1.00 0.12 H new ATOM 0 HA VAL A 19 0.238 -8.672 8.392 1.00 0.11 H new ATOM 0 HB VAL A 19 -0.456 -6.530 8.897 1.00 0.11 H new ATOM 0 HG11 VAL A 19 0.642 -5.042 10.523 1.00 0.12 H new ATOM 0 HG12 VAL A 19 0.158 -6.590 11.258 1.00 0.12 H new ATOM 0 HG13 VAL A 19 1.862 -6.300 10.835 1.00 0.12 H new ATOM 0 HG21 VAL A 19 1.246 -4.918 8.174 1.00 0.11 H new ATOM 0 HG22 VAL A 19 2.503 -6.161 8.383 1.00 0.11 H new ATOM 0 HG23 VAL A 19 1.232 -6.378 7.156 1.00 0.11 H new ATOM 260 N GLN A 20 2.532 -8.908 7.584 1.00 0.09 N ATOM 261 CA GLN A 20 3.863 -9.242 7.145 1.00 0.10 C ATOM 262 C GLN A 20 4.614 -7.995 6.716 1.00 0.10 C ATOM 263 O GLN A 20 4.485 -7.533 5.588 1.00 0.11 O ATOM 264 CB GLN A 20 3.803 -10.226 5.985 1.00 0.11 C ATOM 265 CG GLN A 20 3.009 -11.480 6.288 1.00 0.13 C ATOM 266 CD GLN A 20 3.298 -12.600 5.320 1.00 0.24 C ATOM 267 OE1 GLN A 20 2.503 -12.691 4.271 1.00 0.66 O flip ATOM 268 NE2 GLN A 20 4.221 -13.386 5.519 1.00 0.48 N flip ATOM 0 H GLN A 20 1.812 -8.999 6.867 1.00 0.09 H new ATOM 0 HA GLN A 20 4.392 -9.702 7.980 1.00 0.10 H new ATOM 0 HB2 GLN A 20 3.363 -9.728 5.121 1.00 0.11 H new ATOM 0 HB3 GLN A 20 4.818 -10.508 5.707 1.00 0.11 H new ATOM 0 HG2 GLN A 20 3.236 -11.813 7.301 1.00 0.13 H new ATOM 0 HG3 GLN A 20 1.945 -11.247 6.260 1.00 0.13 H new ATOM 0 HE21 GLN A 20 4.812 -13.280 6.343 1.00 0.48 H new ATOM 0 HE22 GLN A 20 4.396 -14.145 4.860 1.00 0.48 H new ATOM 277 N ARG A 21 5.467 -7.508 7.592 1.00 0.10 N ATOM 278 CA ARG A 21 6.236 -6.312 7.322 1.00 0.12 C ATOM 279 C ARG A 21 7.554 -6.665 6.659 1.00 0.14 C ATOM 280 O ARG A 21 8.041 -5.938 5.792 1.00 0.16 O ATOM 281 CB ARG A 21 6.491 -5.586 8.630 1.00 0.13 C ATOM 282 CG ARG A 21 5.258 -5.507 9.506 1.00 0.16 C ATOM 283 CD ARG A 21 4.825 -4.071 9.710 1.00 0.33 C ATOM 284 NE ARG A 21 3.690 -3.949 10.622 1.00 0.40 N ATOM 285 CZ ARG A 21 2.802 -2.956 10.576 1.00 0.58 C ATOM 286 NH1 ARG A 21 2.840 -2.073 9.584 1.00 0.84 N1+ ATOM 287 NH2 ARG A 21 1.852 -2.867 11.500 1.00 0.62 N ATOM 0 H ARG A 21 5.646 -7.926 8.505 1.00 0.10 H new ATOM 0 HA ARG A 21 5.676 -5.668 6.644 1.00 0.12 H new ATOM 0 HB2 ARG A 21 7.286 -6.096 9.174 1.00 0.13 H new ATOM 0 HB3 ARG A 21 6.846 -4.577 8.418 1.00 0.13 H new ATOM 0 HG2 ARG A 21 4.447 -6.073 9.049 1.00 0.16 H new ATOM 0 HG3 ARG A 21 5.464 -5.969 10.472 1.00 0.16 H new ATOM 0 HD2 ARG A 21 5.664 -3.495 10.101 1.00 0.33 H new ATOM 0 HD3 ARG A 21 4.560 -3.635 8.747 1.00 0.33 H new ATOM 0 HE ARG A 21 3.570 -4.667 11.337 1.00 0.40 H new ATOM 0 HH11 ARG A 21 3.550 -2.154 8.856 1.00 0.84 H new ATOM 0 HH12 ARG A 21 2.160 -1.314 9.551 1.00 0.84 H new ATOM 0 HH21 ARG A 21 1.801 -3.560 12.247 1.00 0.62 H new ATOM 0 HH22 ARG A 21 1.174 -2.106 11.462 1.00 0.62 H new ATOM 301 N SER A 22 8.109 -7.802 7.053 1.00 0.18 N ATOM 302 CA SER A 22 9.372 -8.274 6.507 1.00 0.21 C ATOM 303 C SER A 22 9.206 -8.712 5.055 1.00 0.19 C ATOM 304 O SER A 22 10.175 -9.038 4.372 1.00 0.28 O ATOM 305 CB SER A 22 9.893 -9.436 7.340 1.00 0.28 C ATOM 306 OG SER A 22 9.979 -9.079 8.710 1.00 0.89 O ATOM 0 H SER A 22 7.700 -8.419 7.755 1.00 0.18 H new ATOM 0 HA SER A 22 10.089 -7.454 6.540 1.00 0.21 H new ATOM 0 HB2 SER A 22 9.233 -10.296 7.225 1.00 0.28 H new ATOM 0 HB3 SER A 22 10.875 -9.738 6.976 1.00 0.28 H new ATOM 0 HG SER A 22 10.314 -9.841 9.226 1.00 0.89 H new ATOM 312 N ALA A 23 7.969 -8.708 4.594 1.00 0.14 N ATOM 313 CA ALA A 23 7.649 -9.125 3.245 1.00 0.14 C ATOM 314 C ALA A 23 7.479 -7.917 2.332 1.00 0.13 C ATOM 315 O ALA A 23 7.142 -8.055 1.161 1.00 0.17 O ATOM 316 CB ALA A 23 6.390 -9.971 3.261 1.00 0.17 C ATOM 0 H ALA A 23 7.161 -8.416 5.144 1.00 0.14 H new ATOM 0 HA ALA A 23 8.472 -9.723 2.853 1.00 0.14 H new ATOM 0 HB1 ALA A 23 6.149 -10.285 2.245 1.00 0.17 H new ATOM 0 HB2 ALA A 23 6.551 -10.851 3.884 1.00 0.17 H new ATOM 0 HB3 ALA A 23 5.564 -9.386 3.665 1.00 0.17 H new ATOM 322 N SER A 24 7.725 -6.733 2.876 1.00 0.14 N ATOM 323 CA SER A 24 7.550 -5.500 2.126 1.00 0.15 C ATOM 324 C SER A 24 8.668 -5.310 1.108 1.00 0.15 C ATOM 325 O SER A 24 9.850 -5.489 1.415 1.00 0.26 O ATOM 326 CB SER A 24 7.491 -4.302 3.076 1.00 0.17 C ATOM 327 OG SER A 24 7.281 -3.089 2.371 1.00 0.21 O ATOM 0 H SER A 24 8.047 -6.602 3.835 1.00 0.14 H new ATOM 0 HA SER A 24 6.607 -5.569 1.584 1.00 0.15 H new ATOM 0 HB2 SER A 24 6.688 -4.448 3.798 1.00 0.17 H new ATOM 0 HB3 SER A 24 8.420 -4.239 3.642 1.00 0.17 H new ATOM 0 HG SER A 24 8.076 -2.522 2.451 1.00 0.21 H new ATOM 333 N ARG A 25 8.274 -4.956 -0.107 1.00 0.12 N ATOM 334 CA ARG A 25 9.205 -4.700 -1.188 1.00 0.12 C ATOM 335 C ARG A 25 9.919 -3.369 -1.035 1.00 0.13 C ATOM 336 O ARG A 25 10.901 -3.106 -1.727 1.00 0.18 O ATOM 337 CB ARG A 25 8.467 -4.733 -2.516 1.00 0.17 C ATOM 338 CG ARG A 25 8.338 -6.127 -3.100 1.00 0.27 C ATOM 339 CD ARG A 25 9.704 -6.733 -3.370 1.00 0.41 C ATOM 340 NE ARG A 25 10.297 -7.335 -2.172 1.00 1.10 N ATOM 341 CZ ARG A 25 11.551 -7.126 -1.763 1.00 1.31 C ATOM 342 NH1 ARG A 25 12.367 -6.343 -2.458 1.00 1.30 N1+ ATOM 343 NH2 ARG A 25 11.993 -7.714 -0.660 1.00 2.10 N ATOM 0 H ARG A 25 7.295 -4.839 -0.368 1.00 0.12 H new ATOM 0 HA ARG A 25 9.963 -5.482 -1.157 1.00 0.12 H new ATOM 0 HB2 ARG A 25 7.471 -4.311 -2.380 1.00 0.17 H new ATOM 0 HB3 ARG A 25 8.989 -4.095 -3.229 1.00 0.17 H new ATOM 0 HG2 ARG A 25 7.784 -6.764 -2.411 1.00 0.27 H new ATOM 0 HG3 ARG A 25 7.765 -6.085 -4.026 1.00 0.27 H new ATOM 0 HD2 ARG A 25 9.614 -7.492 -4.148 1.00 0.41 H new ATOM 0 HD3 ARG A 25 10.371 -5.961 -3.753 1.00 0.41 H new ATOM 0 HE ARG A 25 9.712 -7.956 -1.613 1.00 1.10 H new ATOM 0 HH11 ARG A 25 12.038 -5.894 -3.313 1.00 1.30 H new ATOM 0 HH12 ARG A 25 13.323 -6.190 -2.137 1.00 1.30 H new ATOM 0 HH21 ARG A 25 11.376 -8.325 -0.125 1.00 2.10 H new ATOM 0 HH22 ARG A 25 12.950 -7.555 -0.346 1.00 2.10 H new ATOM 357 N VAL A 26 9.429 -2.523 -0.142 1.00 0.12 N ATOM 358 CA VAL A 26 10.032 -1.216 0.064 1.00 0.12 C ATOM 359 C VAL A 26 10.260 -0.994 1.557 1.00 0.13 C ATOM 360 O VAL A 26 9.558 -1.581 2.384 1.00 0.13 O ATOM 361 CB VAL A 26 9.152 -0.096 -0.540 1.00 0.12 C ATOM 362 CG1 VAL A 26 9.811 1.261 -0.392 1.00 0.11 C ATOM 363 CG2 VAL A 26 8.871 -0.377 -2.011 1.00 0.12 C ATOM 0 H VAL A 26 8.620 -2.717 0.448 1.00 0.12 H new ATOM 0 HA VAL A 26 10.993 -1.182 -0.450 1.00 0.12 H new ATOM 0 HB VAL A 26 8.210 -0.081 0.009 1.00 0.12 H new ATOM 0 HG11 VAL A 26 9.168 2.027 -0.826 1.00 0.11 H new ATOM 0 HG12 VAL A 26 9.969 1.476 0.665 1.00 0.11 H new ATOM 0 HG13 VAL A 26 10.771 1.258 -0.908 1.00 0.11 H new ATOM 0 HG21 VAL A 26 8.251 0.420 -2.422 1.00 0.12 H new ATOM 0 HG22 VAL A 26 9.812 -0.423 -2.559 1.00 0.12 H new ATOM 0 HG23 VAL A 26 8.349 -1.329 -2.106 1.00 0.12 H new ATOM 373 N ALA A 27 11.252 -0.177 1.899 1.00 0.13 N ATOM 374 CA ALA A 27 11.676 -0.030 3.285 1.00 0.13 C ATOM 375 C ALA A 27 10.665 0.717 4.141 1.00 0.12 C ATOM 376 O ALA A 27 10.178 1.778 3.790 1.00 0.11 O ATOM 377 CB ALA A 27 13.020 0.657 3.379 1.00 0.14 C ATOM 0 H ALA A 27 11.776 0.393 1.235 1.00 0.13 H new ATOM 0 HA ALA A 27 11.757 -1.044 3.677 1.00 0.13 H new ATOM 0 HB1 ALA A 27 13.308 0.751 4.426 1.00 0.14 H new ATOM 0 HB2 ALA A 27 13.768 0.067 2.849 1.00 0.14 H new ATOM 0 HB3 ALA A 27 12.954 1.648 2.930 1.00 0.14 H new ATOM 383 N TYR A 28 10.416 0.137 5.284 1.00 0.13 N ATOM 384 CA TYR A 28 9.527 0.627 6.314 1.00 0.13 C ATOM 385 C TYR A 28 10.035 1.868 7.033 1.00 0.13 C ATOM 386 O TYR A 28 10.008 1.906 8.263 1.00 0.16 O ATOM 387 CB TYR A 28 9.218 -0.474 7.302 1.00 0.15 C ATOM 388 CG TYR A 28 7.812 -0.991 7.166 1.00 0.12 C ATOM 389 CD1 TYR A 28 6.757 -0.332 7.783 1.00 0.13 C ATOM 390 CD2 TYR A 28 7.535 -2.120 6.414 1.00 0.14 C ATOM 391 CE1 TYR A 28 5.462 -0.786 7.657 1.00 0.14 C ATOM 392 CE2 TYR A 28 6.239 -2.582 6.283 1.00 0.14 C ATOM 393 CZ TYR A 28 5.207 -1.911 6.909 1.00 0.14 C ATOM 394 OH TYR A 28 3.915 -2.358 6.783 1.00 0.16 O ATOM 0 H TYR A 28 10.855 -0.747 5.541 1.00 0.13 H new ATOM 0 HA TYR A 28 8.614 0.936 5.806 1.00 0.13 H new ATOM 0 HB2 TYR A 28 9.920 -1.296 7.157 1.00 0.15 H new ATOM 0 HB3 TYR A 28 9.368 -0.101 8.315 1.00 0.15 H new ATOM 0 HD1 TYR A 28 6.955 0.552 8.372 1.00 0.13 H new ATOM 0 HD2 TYR A 28 8.341 -2.646 5.924 1.00 0.14 H new ATOM 0 HE1 TYR A 28 4.653 -0.261 8.143 1.00 0.14 H new ATOM 0 HE2 TYR A 28 6.034 -3.464 5.694 1.00 0.14 H new ATOM 0 HH TYR A 28 3.488 -1.915 6.020 1.00 0.16 H new ATOM 404 N ASN A 29 10.532 2.856 6.301 1.00 0.13 N ATOM 405 CA ASN A 29 11.388 3.885 6.898 1.00 0.15 C ATOM 406 C ASN A 29 10.577 4.767 7.846 1.00 0.15 C ATOM 407 O ASN A 29 9.921 5.720 7.457 1.00 0.14 O ATOM 408 CB ASN A 29 12.051 4.773 5.808 1.00 0.15 C ATOM 409 CG ASN A 29 11.106 5.370 4.768 1.00 0.13 C ATOM 410 OD1 ASN A 29 11.543 5.834 3.719 1.00 0.13 O ATOM 411 ND2 ASN A 29 9.818 5.374 5.040 1.00 0.12 N ATOM 0 H ASN A 29 10.362 2.971 5.302 1.00 0.13 H new ATOM 0 HA ASN A 29 12.174 3.375 7.455 1.00 0.15 H new ATOM 0 HB2 ASN A 29 12.578 5.589 6.303 1.00 0.15 H new ATOM 0 HB3 ASN A 29 12.802 4.177 5.289 1.00 0.15 H new ATOM 0 HD21 ASN A 29 9.157 5.769 4.371 1.00 0.12 H new ATOM 0 HD22 ASN A 29 9.481 4.982 5.919 1.00 0.12 H new ATOM 418 N GLN A 30 10.643 4.435 9.125 1.00 0.18 N ATOM 419 CA GLN A 30 9.792 5.061 10.119 1.00 0.19 C ATOM 420 C GLN A 30 10.015 6.571 10.169 1.00 0.21 C ATOM 421 O GLN A 30 9.175 7.313 10.659 1.00 0.24 O ATOM 422 CB GLN A 30 10.019 4.441 11.492 1.00 0.23 C ATOM 423 CG GLN A 30 8.924 4.787 12.472 1.00 0.26 C ATOM 424 CD GLN A 30 7.583 4.232 12.080 1.00 0.26 C ATOM 425 OE1 GLN A 30 7.476 3.168 11.475 1.00 0.36 O ATOM 426 NE2 GLN A 30 6.556 4.976 12.408 1.00 0.29 N ATOM 0 H GLN A 30 11.281 3.732 9.499 1.00 0.18 H new ATOM 0 HA GLN A 30 8.757 4.885 9.827 1.00 0.19 H new ATOM 0 HB2 GLN A 30 10.083 3.358 11.392 1.00 0.23 H new ATOM 0 HB3 GLN A 30 10.976 4.782 11.887 1.00 0.23 H new ATOM 0 HG2 GLN A 30 9.194 4.407 13.457 1.00 0.26 H new ATOM 0 HG3 GLN A 30 8.851 5.871 12.557 1.00 0.26 H new ATOM 0 HE21 GLN A 30 6.700 5.852 12.911 1.00 0.29 H new ATOM 0 HE22 GLN A 30 5.612 4.680 12.161 1.00 0.29 H new ATOM 435 N SER A 31 11.131 7.017 9.626 1.00 0.20 N ATOM 436 CA SER A 31 11.439 8.436 9.567 1.00 0.21 C ATOM 437 C SER A 31 10.621 9.116 8.471 1.00 0.21 C ATOM 438 O SER A 31 10.199 10.259 8.628 1.00 0.30 O ATOM 439 CB SER A 31 12.934 8.648 9.324 1.00 0.23 C ATOM 440 OG SER A 31 13.274 10.024 9.383 1.00 1.11 O ATOM 0 H SER A 31 11.845 6.414 9.216 1.00 0.20 H new ATOM 0 HA SER A 31 11.176 8.886 10.524 1.00 0.21 H new ATOM 0 HB2 SER A 31 13.508 8.097 10.069 1.00 0.23 H new ATOM 0 HB3 SER A 31 13.207 8.245 8.349 1.00 0.23 H new ATOM 0 HG SER A 31 14.235 10.130 9.226 1.00 1.11 H new ATOM 446 N ALA A 32 10.384 8.411 7.366 1.00 0.15 N ATOM 447 CA ALA A 32 9.527 8.939 6.312 1.00 0.14 C ATOM 448 C ALA A 32 8.091 8.643 6.669 1.00 0.14 C ATOM 449 O ALA A 32 7.181 9.391 6.332 1.00 0.15 O ATOM 450 CB ALA A 32 9.867 8.349 4.945 1.00 0.12 C ATOM 0 H ALA A 32 10.769 7.485 7.180 1.00 0.15 H new ATOM 0 HA ALA A 32 9.687 10.015 6.238 1.00 0.14 H new ATOM 0 HB1 ALA A 32 9.203 8.772 4.191 1.00 0.12 H new ATOM 0 HB2 ALA A 32 10.900 8.587 4.693 1.00 0.12 H new ATOM 0 HB3 ALA A 32 9.741 7.267 4.974 1.00 0.12 H new ATOM 456 N ILE A 33 7.915 7.546 7.393 1.00 0.14 N ATOM 457 CA ILE A 33 6.606 7.127 7.858 1.00 0.16 C ATOM 458 C ILE A 33 6.057 8.141 8.843 1.00 0.19 C ATOM 459 O ILE A 33 4.892 8.529 8.782 1.00 0.22 O ATOM 460 CB ILE A 33 6.679 5.757 8.546 1.00 0.16 C ATOM 461 CG1 ILE A 33 7.045 4.667 7.542 1.00 0.14 C ATOM 462 CG2 ILE A 33 5.375 5.437 9.239 1.00 0.20 C ATOM 463 CD1 ILE A 33 7.220 3.299 8.167 1.00 0.15 C ATOM 0 H ILE A 33 8.675 6.925 7.672 1.00 0.14 H new ATOM 0 HA ILE A 33 5.950 7.055 6.990 1.00 0.16 H new ATOM 0 HB ILE A 33 7.463 5.796 9.302 1.00 0.16 H new ATOM 0 HG12 ILE A 33 6.268 4.612 6.779 1.00 0.14 H new ATOM 0 HG13 ILE A 33 7.969 4.947 7.036 1.00 0.14 H new ATOM 0 HG21 ILE A 33 5.448 4.462 9.720 1.00 0.20 H new ATOM 0 HG22 ILE A 33 5.166 6.198 9.991 1.00 0.20 H new ATOM 0 HG23 ILE A 33 4.568 5.420 8.506 1.00 0.20 H new ATOM 0 HD11 ILE A 33 7.479 2.576 7.393 1.00 0.15 H new ATOM 0 HD12 ILE A 33 8.017 3.337 8.909 1.00 0.15 H new ATOM 0 HD13 ILE A 33 6.290 2.997 8.649 1.00 0.15 H new ATOM 475 N ASP A 34 6.923 8.581 9.739 1.00 0.20 N ATOM 476 CA ASP A 34 6.559 9.559 10.739 1.00 0.24 C ATOM 477 C ASP A 34 6.540 10.933 10.102 1.00 0.25 C ATOM 478 O ASP A 34 5.984 11.895 10.629 1.00 0.29 O ATOM 479 CB ASP A 34 7.549 9.508 11.899 1.00 0.26 C ATOM 480 CG ASP A 34 7.299 10.583 12.935 1.00 0.78 C ATOM 481 OD1 ASP A 34 6.393 10.403 13.777 1.00 1.54 O ATOM 482 OD2 ASP A 34 8.008 11.615 12.912 1.00 1.41 O1- ATOM 0 H ASP A 34 7.893 8.270 9.791 1.00 0.20 H new ATOM 0 HA ASP A 34 5.567 9.339 11.133 1.00 0.24 H new ATOM 0 HB2 ASP A 34 7.491 8.530 12.377 1.00 0.26 H new ATOM 0 HB3 ASP A 34 8.562 9.614 11.510 1.00 0.26 H new ATOM 487 N ASP A 35 7.127 10.983 8.923 1.00 0.22 N ATOM 488 CA ASP A 35 7.126 12.166 8.090 1.00 0.24 C ATOM 489 C ASP A 35 5.832 12.201 7.287 1.00 0.24 C ATOM 490 O ASP A 35 5.745 12.839 6.242 1.00 0.25 O ATOM 491 CB ASP A 35 8.342 12.204 7.174 1.00 0.23 C ATOM 492 CG ASP A 35 8.577 13.575 6.574 1.00 0.29 C ATOM 493 OD1 ASP A 35 8.926 13.657 5.374 1.00 0.49 O ATOM 494 OD2 ASP A 35 8.386 14.577 7.283 1.00 0.48 O1- ATOM 0 H ASP A 35 7.624 10.193 8.513 1.00 0.22 H new ATOM 0 HA ASP A 35 7.184 13.050 8.725 1.00 0.24 H new ATOM 0 HB2 ASP A 35 9.225 11.901 7.736 1.00 0.23 H new ATOM 0 HB3 ASP A 35 8.211 11.478 6.372 1.00 0.23 H new ATOM 499 N SER A 36 4.872 11.403 7.758 1.00 0.25 N ATOM 500 CA SER A 36 3.537 11.244 7.177 1.00 0.27 C ATOM 501 C SER A 36 2.895 12.550 6.701 1.00 0.30 C ATOM 502 O SER A 36 1.922 12.526 5.946 1.00 0.37 O ATOM 503 CB SER A 36 2.636 10.581 8.216 1.00 0.35 C ATOM 504 OG SER A 36 2.641 11.304 9.437 1.00 1.47 O ATOM 0 H SER A 36 5.009 10.826 8.588 1.00 0.25 H new ATOM 0 HA SER A 36 3.651 10.630 6.284 1.00 0.27 H new ATOM 0 HB2 SER A 36 1.618 10.519 7.831 1.00 0.35 H new ATOM 0 HB3 SER A 36 2.972 9.560 8.394 1.00 0.35 H new ATOM 0 HG SER A 36 2.055 10.858 10.083 1.00 1.47 H new ATOM 510 N ASN A 37 3.425 13.678 7.140 1.00 0.29 N ATOM 511 CA ASN A 37 2.942 14.970 6.692 1.00 0.31 C ATOM 512 C ASN A 37 3.350 15.257 5.247 1.00 0.30 C ATOM 513 O ASN A 37 2.865 16.206 4.636 1.00 0.34 O ATOM 514 CB ASN A 37 3.435 16.086 7.625 1.00 0.34 C ATOM 515 CG ASN A 37 4.935 16.039 7.923 1.00 0.49 C ATOM 516 OD1 ASN A 37 5.752 15.626 6.962 1.00 0.97 O flip ATOM 517 ND2 ASN A 37 5.361 16.388 9.022 1.00 0.30 N flip ATOM 0 H ASN A 37 4.193 13.724 7.809 1.00 0.29 H new ATOM 0 HA ASN A 37 1.853 14.942 6.726 1.00 0.31 H new ATOM 0 HB2 ASN A 37 3.195 17.050 7.177 1.00 0.34 H new ATOM 0 HB3 ASN A 37 2.887 16.026 8.565 1.00 0.34 H new ATOM 0 HD21 ASN A 37 4.713 16.702 9.744 1.00 0.30 H new ATOM 0 HD22 ASN A 37 6.363 16.364 9.212 1.00 0.30 H new ATOM 524 N ASN A 38 4.251 14.441 4.708 1.00 0.26 N ATOM 525 CA ASN A 38 4.713 14.594 3.354 1.00 0.28 C ATOM 526 C ASN A 38 3.587 14.470 2.360 1.00 0.36 C ATOM 527 O ASN A 38 2.667 13.666 2.530 1.00 0.82 O ATOM 528 CB ASN A 38 5.742 13.528 3.047 1.00 0.21 C ATOM 529 CG ASN A 38 6.930 14.117 2.352 1.00 0.23 C ATOM 530 OD1 ASN A 38 6.965 14.240 1.128 1.00 0.25 O ATOM 531 ND2 ASN A 38 7.910 14.479 3.135 1.00 0.25 N ATOM 0 H ASN A 38 4.674 13.659 5.207 1.00 0.26 H new ATOM 0 HA ASN A 38 5.146 15.590 3.266 1.00 0.28 H new ATOM 0 HB2 ASN A 38 6.059 13.046 3.972 1.00 0.21 H new ATOM 0 HB3 ASN A 38 5.296 12.755 2.421 1.00 0.21 H new ATOM 0 HD21 ASN A 38 8.757 14.886 2.738 1.00 0.25 H new ATOM 0 HD22 ASN A 38 7.829 14.355 4.144 1.00 0.25 H new ATOM 538 N SER A 39 3.681 15.252 1.305 1.00 0.29 N ATOM 539 CA SER A 39 2.810 15.085 0.168 1.00 0.31 C ATOM 540 C SER A 39 3.168 13.797 -0.552 1.00 0.21 C ATOM 541 O SER A 39 2.453 13.356 -1.449 1.00 0.21 O ATOM 542 CB SER A 39 2.937 16.269 -0.776 1.00 0.43 C ATOM 543 OG SER A 39 4.296 16.639 -0.943 1.00 1.39 O ATOM 0 H SER A 39 4.356 16.012 1.214 1.00 0.29 H new ATOM 0 HA SER A 39 1.777 15.033 0.511 1.00 0.31 H new ATOM 0 HB2 SER A 39 2.503 16.016 -1.743 1.00 0.43 H new ATOM 0 HB3 SER A 39 2.371 17.114 -0.384 1.00 0.43 H new ATOM 0 HG SER A 39 4.354 17.402 -1.556 1.00 1.39 H new ATOM 549 N ALA A 40 4.284 13.189 -0.136 1.00 0.15 N ATOM 550 CA ALA A 40 4.708 11.917 -0.674 1.00 0.12 C ATOM 551 C ALA A 40 3.710 10.838 -0.315 1.00 0.11 C ATOM 552 O ALA A 40 3.671 9.796 -0.932 1.00 0.14 O ATOM 553 CB ALA A 40 6.086 11.553 -0.155 1.00 0.10 C ATOM 0 H ALA A 40 4.906 13.570 0.577 1.00 0.15 H new ATOM 0 HA ALA A 40 4.759 12.000 -1.760 1.00 0.12 H new ATOM 0 HB1 ALA A 40 6.389 10.592 -0.571 1.00 0.10 H new ATOM 0 HB2 ALA A 40 6.801 12.319 -0.453 1.00 0.10 H new ATOM 0 HB3 ALA A 40 6.059 11.486 0.933 1.00 0.10 H new ATOM 559 N TRP A 41 2.893 11.109 0.685 1.00 0.10 N ATOM 560 CA TRP A 41 1.947 10.127 1.177 1.00 0.10 C ATOM 561 C TRP A 41 0.566 10.308 0.557 1.00 0.12 C ATOM 562 O TRP A 41 -0.311 9.456 0.705 1.00 0.15 O ATOM 563 CB TRP A 41 1.861 10.232 2.686 1.00 0.10 C ATOM 564 CG TRP A 41 3.140 9.867 3.375 1.00 0.10 C ATOM 565 CD1 TRP A 41 3.955 10.705 4.073 1.00 0.12 C ATOM 566 CD2 TRP A 41 3.766 8.578 3.412 1.00 0.09 C ATOM 567 NE1 TRP A 41 5.018 10.010 4.581 1.00 0.12 N ATOM 568 CE2 TRP A 41 4.930 8.706 4.183 1.00 0.10 C ATOM 569 CE3 TRP A 41 3.454 7.326 2.883 1.00 0.11 C ATOM 570 CZ2 TRP A 41 5.777 7.635 4.439 1.00 0.10 C ATOM 571 CZ3 TRP A 41 4.295 6.264 3.136 1.00 0.13 C ATOM 572 CH2 TRP A 41 5.446 6.425 3.913 1.00 0.12 C ATOM 0 H TRP A 41 2.866 12.004 1.174 1.00 0.10 H new ATOM 0 HA TRP A 41 2.302 9.137 0.891 1.00 0.10 H new ATOM 0 HB2 TRP A 41 1.587 11.251 2.958 1.00 0.10 H new ATOM 0 HB3 TRP A 41 1.064 9.581 3.045 1.00 0.10 H new ATOM 0 HD1 TRP A 41 3.787 11.763 4.206 1.00 0.12 H new ATOM 0 HE1 TRP A 41 5.758 10.402 5.164 1.00 0.12 H new ATOM 0 HE3 TRP A 41 2.566 7.191 2.284 1.00 0.11 H new ATOM 0 HZ2 TRP A 41 6.669 7.759 5.036 1.00 0.10 H new ATOM 0 HZ3 TRP A 41 4.061 5.292 2.728 1.00 0.13 H new ATOM 0 HH2 TRP A 41 6.084 5.573 4.099 1.00 0.12 H new ATOM 583 N ASP A 42 0.381 11.419 -0.129 1.00 0.11 N ATOM 584 CA ASP A 42 -0.871 11.706 -0.807 1.00 0.14 C ATOM 585 C ASP A 42 -0.866 11.061 -2.180 1.00 0.15 C ATOM 586 O ASP A 42 -0.124 11.474 -3.073 1.00 0.21 O ATOM 587 CB ASP A 42 -1.081 13.212 -0.932 1.00 0.21 C ATOM 588 CG ASP A 42 -2.330 13.560 -1.719 1.00 0.33 C ATOM 589 OD1 ASP A 42 -3.441 13.216 -1.262 1.00 0.50 O ATOM 590 OD2 ASP A 42 -2.204 14.182 -2.796 1.00 0.41 O1- ATOM 0 H ASP A 42 1.089 12.146 -0.233 1.00 0.11 H new ATOM 0 HA ASP A 42 -1.692 11.295 -0.220 1.00 0.14 H new ATOM 0 HB2 ASP A 42 -1.149 13.650 0.064 1.00 0.21 H new ATOM 0 HB3 ASP A 42 -0.213 13.658 -1.418 1.00 0.21 H new ATOM 595 N PHE A 43 -1.676 10.020 -2.318 1.00 0.11 N ATOM 596 CA PHE A 43 -1.756 9.256 -3.558 1.00 0.10 C ATOM 597 C PHE A 43 -2.230 10.130 -4.728 1.00 0.12 C ATOM 598 O PHE A 43 -1.477 10.403 -5.661 1.00 0.14 O ATOM 599 CB PHE A 43 -2.788 8.134 -3.435 1.00 0.09 C ATOM 600 CG PHE A 43 -2.524 7.056 -2.442 1.00 0.08 C ATOM 601 CD1 PHE A 43 -2.295 7.400 -1.128 1.00 0.10 C ATOM 602 CD2 PHE A 43 -2.503 5.725 -2.800 1.00 0.07 C ATOM 603 CE1 PHE A 43 -2.056 6.441 -0.185 1.00 0.11 C ATOM 604 CE2 PHE A 43 -2.258 4.755 -1.855 1.00 0.09 C ATOM 605 CZ PHE A 43 -2.034 5.003 -0.668 1.00 0.06 C ATOM 0 H PHE A 43 -2.293 9.682 -1.579 1.00 0.11 H new ATOM 0 HA PHE A 43 -0.754 8.868 -3.740 1.00 0.10 H new ATOM 0 HB2 PHE A 43 -3.749 8.587 -3.190 1.00 0.09 H new ATOM 0 HB3 PHE A 43 -2.896 7.668 -4.415 1.00 0.09 H new ATOM 0 HD1 PHE A 43 -2.305 8.441 -0.840 1.00 0.10 H new ATOM 0 HD2 PHE A 43 -2.680 5.442 -3.827 1.00 0.07 H new ATOM 0 HE1 PHE A 43 -1.891 6.694 0.852 1.00 0.11 H new ATOM 0 HE2 PHE A 43 -2.262 3.722 -2.170 1.00 0.09 H new ATOM 0 HZ PHE A 43 -1.823 4.201 0.024 1.00 0.06 H new ATOM 615 N ALA A 44 -3.487 10.593 -4.610 1.00 0.13 N ATOM 616 CA ALA A 44 -4.178 11.408 -5.624 1.00 0.16 C ATOM 617 C ALA A 44 -5.694 11.382 -5.380 1.00 0.18 C ATOM 618 O ALA A 44 -6.176 11.894 -4.371 1.00 0.24 O ATOM 619 CB ALA A 44 -3.892 10.932 -7.047 1.00 0.16 C ATOM 0 H ALA A 44 -4.063 10.407 -3.789 1.00 0.13 H new ATOM 0 HA ALA A 44 -3.797 12.424 -5.527 1.00 0.16 H new ATOM 0 HB1 ALA A 44 -4.424 11.565 -7.756 1.00 0.16 H new ATOM 0 HB2 ALA A 44 -2.821 10.990 -7.242 1.00 0.16 H new ATOM 0 HB3 ALA A 44 -4.226 9.901 -7.160 1.00 0.16 H new ATOM 625 N ASP A 45 -6.437 10.743 -6.294 1.00 0.17 N ATOM 626 CA ASP A 45 -7.895 10.616 -6.178 1.00 0.20 C ATOM 627 C ASP A 45 -8.366 9.245 -6.660 1.00 0.16 C ATOM 628 O ASP A 45 -8.299 8.943 -7.851 1.00 0.19 O ATOM 629 CB ASP A 45 -8.605 11.697 -6.988 1.00 0.26 C ATOM 630 CG ASP A 45 -8.559 13.062 -6.333 1.00 1.04 C ATOM 631 OD1 ASP A 45 -7.809 13.935 -6.816 1.00 1.82 O ATOM 632 OD2 ASP A 45 -9.255 13.261 -5.316 1.00 1.18 O1- ATOM 0 H ASP A 45 -6.048 10.303 -7.128 1.00 0.17 H new ATOM 0 HA ASP A 45 -8.145 10.733 -5.124 1.00 0.20 H new ATOM 0 HB2 ASP A 45 -8.149 11.760 -7.976 1.00 0.26 H new ATOM 0 HB3 ASP A 45 -9.645 11.407 -7.135 1.00 0.26 H new ATOM 637 N GLY A 46 -8.839 8.416 -5.727 1.00 0.17 N ATOM 638 CA GLY A 46 -9.268 7.052 -6.051 1.00 0.16 C ATOM 639 C GLY A 46 -8.164 6.240 -6.688 1.00 0.12 C ATOM 640 O GLY A 46 -8.405 5.212 -7.316 1.00 0.16 O ATOM 0 H GLY A 46 -8.935 8.664 -4.742 1.00 0.17 H new ATOM 0 HA2 GLY A 46 -9.604 6.554 -5.142 1.00 0.16 H new ATOM 0 HA3 GLY A 46 -10.122 7.093 -6.727 1.00 0.16 H new ATOM 644 N VAL A 47 -6.952 6.708 -6.484 1.00 0.08 N ATOM 645 CA VAL A 47 -5.755 6.080 -6.995 1.00 0.06 C ATOM 646 C VAL A 47 -5.515 4.789 -6.246 1.00 0.05 C ATOM 647 O VAL A 47 -5.209 3.757 -6.824 1.00 0.06 O ATOM 648 CB VAL A 47 -4.572 7.045 -6.824 1.00 0.08 C ATOM 649 CG1 VAL A 47 -4.799 7.908 -5.612 1.00 0.11 C ATOM 650 CG2 VAL A 47 -3.254 6.297 -6.735 1.00 0.09 C ATOM 0 H VAL A 47 -6.768 7.555 -5.946 1.00 0.08 H new ATOM 0 HA VAL A 47 -5.866 5.850 -8.055 1.00 0.06 H new ATOM 0 HB VAL A 47 -4.510 7.685 -7.704 1.00 0.08 H new ATOM 0 HG11 VAL A 47 -3.960 8.593 -5.491 1.00 0.11 H new ATOM 0 HG12 VAL A 47 -5.718 8.480 -5.739 1.00 0.11 H new ATOM 0 HG13 VAL A 47 -4.884 7.277 -4.727 1.00 0.11 H new ATOM 0 HG21 VAL A 47 -2.438 7.010 -6.614 1.00 0.09 H new ATOM 0 HG22 VAL A 47 -3.276 5.622 -5.879 1.00 0.09 H new ATOM 0 HG23 VAL A 47 -3.100 5.721 -7.647 1.00 0.09 H new ATOM 660 N LEU A 48 -5.719 4.860 -4.950 1.00 0.06 N ATOM 661 CA LEU A 48 -5.594 3.715 -4.089 1.00 0.06 C ATOM 662 C LEU A 48 -6.727 2.764 -4.329 1.00 0.08 C ATOM 663 O LEU A 48 -6.542 1.562 -4.423 1.00 0.09 O ATOM 664 CB LEU A 48 -5.608 4.210 -2.667 1.00 0.08 C ATOM 665 CG LEU A 48 -5.607 3.139 -1.595 1.00 0.08 C ATOM 666 CD1 LEU A 48 -4.550 2.090 -1.895 1.00 0.08 C ATOM 667 CD2 LEU A 48 -5.387 3.778 -0.240 1.00 0.10 C ATOM 0 H LEU A 48 -5.977 5.719 -4.465 1.00 0.06 H new ATOM 0 HA LEU A 48 -4.666 3.181 -4.291 1.00 0.06 H new ATOM 0 HB2 LEU A 48 -4.738 4.849 -2.516 1.00 0.08 H new ATOM 0 HB3 LEU A 48 -6.490 4.835 -2.529 1.00 0.08 H new ATOM 0 HG LEU A 48 -6.573 2.635 -1.583 1.00 0.08 H new ATOM 0 HD11 LEU A 48 -4.562 1.328 -1.116 1.00 0.08 H new ATOM 0 HD12 LEU A 48 -4.760 1.627 -2.859 1.00 0.08 H new ATOM 0 HD13 LEU A 48 -3.568 2.562 -1.926 1.00 0.08 H new ATOM 0 HD21 LEU A 48 -5.387 3.007 0.530 1.00 0.10 H new ATOM 0 HD22 LEU A 48 -4.429 4.297 -0.234 1.00 0.10 H new ATOM 0 HD23 LEU A 48 -6.187 4.490 -0.039 1.00 0.10 H new ATOM 679 N GLU A 49 -7.885 3.343 -4.490 1.00 0.09 N ATOM 680 CA GLU A 49 -9.111 2.610 -4.727 1.00 0.12 C ATOM 681 C GLU A 49 -9.028 1.850 -6.031 1.00 0.12 C ATOM 682 O GLU A 49 -9.786 0.928 -6.284 1.00 0.15 O ATOM 683 CB GLU A 49 -10.236 3.610 -4.758 1.00 0.17 C ATOM 684 CG GLU A 49 -10.525 4.171 -3.386 1.00 0.30 C ATOM 685 CD GLU A 49 -11.882 3.749 -2.866 1.00 0.99 C ATOM 686 OE1 GLU A 49 -12.900 4.172 -3.445 1.00 1.32 O ATOM 687 OE2 GLU A 49 -11.933 2.992 -1.876 1.00 1.49 O1- ATOM 0 H GLU A 49 -8.012 4.355 -4.461 1.00 0.09 H new ATOM 0 HA GLU A 49 -9.280 1.878 -3.938 1.00 0.12 H new ATOM 0 HB2 GLU A 49 -9.981 4.424 -5.437 1.00 0.17 H new ATOM 0 HB3 GLU A 49 -11.134 3.135 -5.153 1.00 0.17 H new ATOM 0 HG2 GLU A 49 -9.753 3.840 -2.691 1.00 0.30 H new ATOM 0 HG3 GLU A 49 -10.475 5.259 -3.423 1.00 0.30 H new ATOM 694 N GLN A 50 -8.070 2.255 -6.831 1.00 0.10 N ATOM 695 CA GLN A 50 -7.781 1.639 -8.095 1.00 0.11 C ATOM 696 C GLN A 50 -6.973 0.397 -7.900 1.00 0.10 C ATOM 697 O GLN A 50 -7.285 -0.673 -8.410 1.00 0.12 O ATOM 698 CB GLN A 50 -6.975 2.599 -8.919 1.00 0.11 C ATOM 699 CG GLN A 50 -7.813 3.306 -9.948 1.00 0.14 C ATOM 700 CD GLN A 50 -7.990 2.472 -11.206 1.00 0.21 C ATOM 701 OE1 GLN A 50 -7.851 1.151 -11.088 1.00 0.37 O flip ATOM 702 NE2 GLN A 50 -8.212 3.014 -12.288 1.00 0.20 N flip ATOM 0 H GLN A 50 -7.458 3.041 -6.612 1.00 0.10 H new ATOM 0 HA GLN A 50 -8.719 1.384 -8.589 1.00 0.11 H new ATOM 0 HB2 GLN A 50 -6.509 3.335 -8.264 1.00 0.11 H new ATOM 0 HB3 GLN A 50 -6.169 2.060 -9.417 1.00 0.11 H new ATOM 0 HG2 GLN A 50 -8.791 3.536 -9.524 1.00 0.14 H new ATOM 0 HG3 GLN A 50 -7.346 4.257 -10.206 1.00 0.14 H new ATOM 0 HE21 GLN A 50 -8.312 4.028 -12.340 1.00 0.20 H new ATOM 0 HE22 GLN A 50 -8.296 2.450 -13.133 1.00 0.20 H new ATOM 711 N ILE A 51 -5.922 0.584 -7.158 1.00 0.09 N ATOM 712 CA ILE A 51 -4.988 -0.461 -6.856 1.00 0.09 C ATOM 713 C ILE A 51 -5.664 -1.485 -5.971 1.00 0.11 C ATOM 714 O ILE A 51 -5.379 -2.676 -6.017 1.00 0.16 O ATOM 715 CB ILE A 51 -3.793 0.138 -6.129 1.00 0.08 C ATOM 716 CG1 ILE A 51 -3.368 1.422 -6.832 1.00 0.06 C ATOM 717 CG2 ILE A 51 -2.656 -0.860 -6.084 1.00 0.09 C ATOM 718 CD1 ILE A 51 -2.442 2.269 -6.007 1.00 0.06 C ATOM 0 H ILE A 51 -5.685 1.483 -6.738 1.00 0.09 H new ATOM 0 HA ILE A 51 -4.651 -0.941 -7.774 1.00 0.09 H new ATOM 0 HB ILE A 51 -4.069 0.376 -5.102 1.00 0.08 H new ATOM 0 HG12 ILE A 51 -2.878 1.169 -7.772 1.00 0.06 H new ATOM 0 HG13 ILE A 51 -4.256 2.003 -7.082 1.00 0.06 H new ATOM 0 HG21 ILE A 51 -1.806 -0.420 -5.561 1.00 0.09 H new ATOM 0 HG22 ILE A 51 -2.981 -1.758 -5.558 1.00 0.09 H new ATOM 0 HG23 ILE A 51 -2.361 -1.122 -7.100 1.00 0.09 H new ATOM 0 HD11 ILE A 51 -2.177 3.168 -6.564 1.00 0.06 H new ATOM 0 HD12 ILE A 51 -2.938 2.551 -5.078 1.00 0.06 H new ATOM 0 HD13 ILE A 51 -1.538 1.704 -5.779 1.00 0.06 H new ATOM 730 N LEU A 52 -6.576 -0.978 -5.170 1.00 0.09 N ATOM 731 CA LEU A 52 -7.417 -1.792 -4.324 1.00 0.10 C ATOM 732 C LEU A 52 -8.454 -2.516 -5.145 1.00 0.11 C ATOM 733 O LEU A 52 -8.717 -3.699 -4.935 1.00 0.13 O ATOM 734 CB LEU A 52 -8.092 -0.900 -3.307 1.00 0.10 C ATOM 735 CG LEU A 52 -7.159 -0.376 -2.244 1.00 0.09 C ATOM 736 CD1 LEU A 52 -7.832 0.740 -1.478 1.00 0.10 C ATOM 737 CD2 LEU A 52 -6.766 -1.515 -1.341 1.00 0.10 C ATOM 0 H LEU A 52 -6.755 0.023 -5.088 1.00 0.09 H new ATOM 0 HA LEU A 52 -6.805 -2.538 -3.817 1.00 0.10 H new ATOM 0 HB2 LEU A 52 -8.549 -0.056 -3.824 1.00 0.10 H new ATOM 0 HB3 LEU A 52 -8.898 -1.456 -2.828 1.00 0.10 H new ATOM 0 HG LEU A 52 -6.256 0.035 -2.696 1.00 0.09 H new ATOM 0 HD11 LEU A 52 -7.154 1.115 -0.711 1.00 0.10 H new ATOM 0 HD12 LEU A 52 -8.088 1.548 -2.163 1.00 0.10 H new ATOM 0 HD13 LEU A 52 -8.739 0.362 -1.007 1.00 0.10 H new ATOM 0 HD21 LEU A 52 -6.091 -1.150 -0.567 1.00 0.10 H new ATOM 0 HD22 LEU A 52 -7.658 -1.935 -0.876 1.00 0.10 H new ATOM 0 HD23 LEU A 52 -6.264 -2.286 -1.925 1.00 0.10 H new ATOM 749 N ALA A 53 -9.027 -1.794 -6.092 1.00 0.12 N ATOM 750 CA ALA A 53 -9.979 -2.374 -7.026 1.00 0.14 C ATOM 751 C ALA A 53 -9.294 -3.504 -7.768 1.00 0.15 C ATOM 752 O ALA A 53 -9.874 -4.559 -8.035 1.00 0.18 O ATOM 753 CB ALA A 53 -10.478 -1.323 -8.004 1.00 0.16 C ATOM 0 H ALA A 53 -8.849 -0.800 -6.236 1.00 0.12 H new ATOM 0 HA ALA A 53 -10.842 -2.756 -6.481 1.00 0.14 H new ATOM 0 HB1 ALA A 53 -11.189 -1.777 -8.694 1.00 0.16 H new ATOM 0 HB2 ALA A 53 -10.968 -0.519 -7.455 1.00 0.16 H new ATOM 0 HB3 ALA A 53 -9.635 -0.919 -8.565 1.00 0.16 H new ATOM 759 N THR A 54 -8.031 -3.256 -8.069 1.00 0.15 N ATOM 760 CA THR A 54 -7.157 -4.237 -8.633 1.00 0.16 C ATOM 761 C THR A 54 -6.927 -5.374 -7.642 1.00 0.15 C ATOM 762 O THR A 54 -7.198 -6.515 -7.963 1.00 0.17 O ATOM 763 CB THR A 54 -5.829 -3.571 -9.055 1.00 0.18 C ATOM 764 OG1 THR A 54 -5.928 -3.105 -10.408 1.00 0.24 O ATOM 765 CG2 THR A 54 -4.626 -4.508 -8.909 1.00 0.24 C ATOM 0 H THR A 54 -7.589 -2.349 -7.921 1.00 0.15 H new ATOM 0 HA THR A 54 -7.618 -4.666 -9.523 1.00 0.16 H new ATOM 0 HB THR A 54 -5.661 -2.730 -8.382 1.00 0.18 H new ATOM 0 HG1 THR A 54 -5.084 -2.682 -10.671 1.00 0.24 H new ATOM 0 HG21 THR A 54 -3.720 -3.988 -9.220 1.00 0.24 H new ATOM 0 HG22 THR A 54 -4.529 -4.816 -7.868 1.00 0.24 H new ATOM 0 HG23 THR A 54 -4.772 -5.388 -9.536 1.00 0.24 H new ATOM 773 N SER A 55 -6.480 -5.047 -6.425 1.00 0.13 N ATOM 774 CA SER A 55 -6.189 -6.038 -5.396 1.00 0.13 C ATOM 775 C SER A 55 -7.343 -7.041 -5.248 1.00 0.11 C ATOM 776 O SER A 55 -7.131 -8.251 -5.259 1.00 0.13 O ATOM 777 CB SER A 55 -5.927 -5.326 -4.076 1.00 0.18 C ATOM 778 OG SER A 55 -5.278 -6.179 -3.158 1.00 0.90 O ATOM 0 H SER A 55 -6.311 -4.085 -6.130 1.00 0.13 H new ATOM 0 HA SER A 55 -5.303 -6.601 -5.689 1.00 0.13 H new ATOM 0 HB2 SER A 55 -5.314 -4.442 -4.252 1.00 0.18 H new ATOM 0 HB3 SER A 55 -6.870 -4.981 -3.652 1.00 0.18 H new ATOM 0 HG SER A 55 -4.314 -6.002 -3.172 1.00 0.90 H new ATOM 784 N ARG A 56 -8.562 -6.528 -5.151 1.00 0.10 N ATOM 785 CA ARG A 56 -9.752 -7.372 -5.018 1.00 0.10 C ATOM 786 C ARG A 56 -9.963 -8.211 -6.281 1.00 0.12 C ATOM 787 O ARG A 56 -10.343 -9.377 -6.207 1.00 0.17 O ATOM 788 CB ARG A 56 -10.974 -6.498 -4.754 1.00 0.11 C ATOM 789 CG ARG A 56 -10.805 -5.557 -3.587 1.00 0.14 C ATOM 790 CD ARG A 56 -11.617 -4.291 -3.793 1.00 0.17 C ATOM 791 NE ARG A 56 -13.044 -4.548 -3.983 1.00 1.28 N ATOM 792 CZ ARG A 56 -13.982 -3.599 -3.929 1.00 1.63 C ATOM 793 NH1 ARG A 56 -13.651 -2.342 -3.647 1.00 1.09 N1+ ATOM 794 NH2 ARG A 56 -15.253 -3.911 -4.139 1.00 2.73 N ATOM 0 H ARG A 56 -8.758 -5.527 -5.162 1.00 0.10 H new ATOM 0 HA ARG A 56 -9.609 -8.052 -4.178 1.00 0.10 H new ATOM 0 HB2 ARG A 56 -11.194 -5.917 -5.649 1.00 0.11 H new ATOM 0 HB3 ARG A 56 -11.836 -7.140 -4.570 1.00 0.11 H new ATOM 0 HG2 ARG A 56 -11.120 -6.051 -2.668 1.00 0.14 H new ATOM 0 HG3 ARG A 56 -9.752 -5.303 -3.468 1.00 0.14 H new ATOM 0 HD2 ARG A 56 -11.484 -3.637 -2.931 1.00 0.17 H new ATOM 0 HD3 ARG A 56 -11.232 -3.757 -4.661 1.00 0.17 H new ATOM 0 HE ARG A 56 -13.340 -5.507 -4.167 1.00 1.28 H new ATOM 0 HH11 ARG A 56 -12.676 -2.099 -3.471 1.00 1.09 H new ATOM 0 HH12 ARG A 56 -14.372 -1.621 -3.607 1.00 1.09 H new ATOM 0 HH21 ARG A 56 -15.515 -4.876 -4.342 1.00 2.73 H new ATOM 0 HH22 ARG A 56 -15.970 -3.186 -4.098 1.00 2.73 H new ATOM 808 N SER A 57 -9.702 -7.604 -7.432 1.00 0.13 N ATOM 809 CA SER A 57 -9.788 -8.282 -8.720 1.00 0.17 C ATOM 810 C SER A 57 -8.743 -9.396 -8.814 1.00 0.18 C ATOM 811 O SER A 57 -9.011 -10.491 -9.311 1.00 0.22 O ATOM 812 CB SER A 57 -9.578 -7.260 -9.833 1.00 0.22 C ATOM 813 OG SER A 57 -9.784 -7.820 -11.118 1.00 0.55 O ATOM 0 H SER A 57 -9.424 -6.625 -7.499 1.00 0.13 H new ATOM 0 HA SER A 57 -10.773 -8.738 -8.823 1.00 0.17 H new ATOM 0 HB2 SER A 57 -10.261 -6.423 -9.689 1.00 0.22 H new ATOM 0 HB3 SER A 57 -8.566 -6.860 -9.771 1.00 0.22 H new ATOM 0 HG SER A 57 -9.641 -7.132 -11.801 1.00 0.55 H new ATOM 819 N ARG A 58 -7.555 -9.089 -8.313 1.00 0.18 N ATOM 820 CA ARG A 58 -6.435 -10.021 -8.268 1.00 0.21 C ATOM 821 C ARG A 58 -6.770 -11.213 -7.386 1.00 0.18 C ATOM 822 O ARG A 58 -6.259 -12.320 -7.570 1.00 0.22 O ATOM 823 CB ARG A 58 -5.235 -9.298 -7.695 1.00 0.24 C ATOM 824 CG ARG A 58 -4.909 -8.023 -8.438 1.00 0.27 C ATOM 825 CD ARG A 58 -3.717 -8.189 -9.351 1.00 0.37 C ATOM 826 NE ARG A 58 -3.753 -7.275 -10.495 1.00 1.25 N ATOM 827 CZ ARG A 58 -2.679 -6.919 -11.204 1.00 1.56 C ATOM 828 NH1 ARG A 58 -1.471 -7.364 -10.868 1.00 1.28 N1+ ATOM 829 NH2 ARG A 58 -2.816 -6.109 -12.247 1.00 2.50 N ATOM 0 H ARG A 58 -7.338 -8.173 -7.921 1.00 0.18 H new ATOM 0 HA ARG A 58 -6.223 -10.382 -9.274 1.00 0.21 H new ATOM 0 HB2 ARG A 58 -5.424 -9.064 -6.647 1.00 0.24 H new ATOM 0 HB3 ARG A 58 -4.370 -9.961 -7.723 1.00 0.24 H new ATOM 0 HG2 ARG A 58 -5.774 -7.714 -9.024 1.00 0.27 H new ATOM 0 HG3 ARG A 58 -4.708 -7.227 -7.721 1.00 0.27 H new ATOM 0 HD2 ARG A 58 -2.802 -8.019 -8.783 1.00 0.37 H new ATOM 0 HD3 ARG A 58 -3.681 -9.217 -9.713 1.00 0.37 H new ATOM 0 HE ARG A 58 -4.656 -6.886 -10.767 1.00 1.25 H new ATOM 0 HH11 ARG A 58 -1.361 -7.982 -10.064 1.00 1.28 H new ATOM 0 HH12 ARG A 58 -0.655 -7.088 -11.415 1.00 1.28 H new ATOM 0 HH21 ARG A 58 -3.739 -5.761 -12.504 1.00 2.50 H new ATOM 0 HH22 ARG A 58 -1.998 -5.835 -12.791 1.00 2.50 H new ATOM 843 N GLY A 59 -7.628 -10.950 -6.417 1.00 0.14 N ATOM 844 CA GLY A 59 -8.021 -11.962 -5.455 1.00 0.15 C ATOM 845 C GLY A 59 -7.234 -11.820 -4.176 1.00 0.18 C ATOM 846 O GLY A 59 -7.131 -12.747 -3.375 1.00 0.24 O ATOM 0 H GLY A 59 -8.067 -10.040 -6.276 1.00 0.14 H new ATOM 0 HA2 GLY A 59 -9.087 -11.874 -5.243 1.00 0.15 H new ATOM 0 HA3 GLY A 59 -7.861 -12.954 -5.878 1.00 0.15 H new ATOM 850 N TYR A 60 -6.672 -10.638 -4.005 1.00 0.16 N ATOM 851 CA TYR A 60 -5.869 -10.306 -2.850 1.00 0.17 C ATOM 852 C TYR A 60 -6.762 -10.028 -1.662 1.00 0.15 C ATOM 853 O TYR A 60 -6.564 -10.558 -0.568 1.00 0.18 O ATOM 854 CB TYR A 60 -5.046 -9.068 -3.183 1.00 0.16 C ATOM 855 CG TYR A 60 -3.977 -9.297 -4.228 1.00 0.18 C ATOM 856 CD1 TYR A 60 -3.421 -8.228 -4.905 1.00 0.27 C ATOM 857 CD2 TYR A 60 -3.560 -10.577 -4.572 1.00 0.45 C ATOM 858 CE1 TYR A 60 -2.478 -8.418 -5.894 1.00 0.26 C ATOM 859 CE2 TYR A 60 -2.610 -10.777 -5.554 1.00 0.51 C ATOM 860 CZ TYR A 60 -2.073 -9.695 -6.212 1.00 0.28 C ATOM 861 OH TYR A 60 -1.137 -9.889 -7.199 1.00 0.35 O ATOM 0 H TYR A 60 -6.763 -9.874 -4.675 1.00 0.16 H new ATOM 0 HA TYR A 60 -5.211 -11.138 -2.598 1.00 0.17 H new ATOM 0 HB2 TYR A 60 -5.717 -8.283 -3.531 1.00 0.16 H new ATOM 0 HB3 TYR A 60 -4.574 -8.703 -2.271 1.00 0.16 H new ATOM 0 HD1 TYR A 60 -3.731 -7.224 -4.655 1.00 0.27 H new ATOM 0 HD2 TYR A 60 -3.986 -11.429 -4.063 1.00 0.45 H new ATOM 0 HE1 TYR A 60 -2.060 -7.570 -6.416 1.00 0.26 H new ATOM 0 HE2 TYR A 60 -2.290 -11.778 -5.804 1.00 0.51 H new ATOM 0 HH TYR A 60 -0.961 -10.848 -7.299 1.00 0.35 H new ATOM 871 N ILE A 61 -7.749 -9.189 -1.899 1.00 0.12 N ATOM 872 CA ILE A 61 -8.660 -8.762 -0.873 1.00 0.12 C ATOM 873 C ILE A 61 -10.075 -8.711 -1.387 1.00 0.11 C ATOM 874 O ILE A 61 -10.382 -9.131 -2.502 1.00 0.11 O ATOM 875 CB ILE A 61 -8.318 -7.348 -0.421 1.00 0.10 C ATOM 876 CG1 ILE A 61 -8.036 -6.503 -1.657 1.00 0.09 C ATOM 877 CG2 ILE A 61 -7.135 -7.350 0.538 1.00 0.11 C ATOM 878 CD1 ILE A 61 -8.060 -5.023 -1.401 1.00 0.11 C ATOM 0 H ILE A 61 -7.938 -8.785 -2.817 1.00 0.12 H new ATOM 0 HA ILE A 61 -8.573 -9.478 -0.056 1.00 0.12 H new ATOM 0 HB ILE A 61 -9.159 -6.920 0.125 1.00 0.10 H new ATOM 0 HG12 ILE A 61 -7.060 -6.777 -2.057 1.00 0.09 H new ATOM 0 HG13 ILE A 61 -8.773 -6.741 -2.424 1.00 0.09 H new ATOM 0 HG21 ILE A 61 -6.913 -6.328 0.844 1.00 0.11 H new ATOM 0 HG22 ILE A 61 -7.380 -7.947 1.417 1.00 0.11 H new ATOM 0 HG23 ILE A 61 -6.264 -7.777 0.041 1.00 0.11 H new ATOM 0 HD11 ILE A 61 -7.850 -4.490 -2.328 1.00 0.11 H new ATOM 0 HD12 ILE A 61 -9.043 -4.734 -1.030 1.00 0.11 H new ATOM 0 HD13 ILE A 61 -7.304 -4.770 -0.658 1.00 0.11 H new ATOM 890 N THR A 62 -10.913 -8.168 -0.545 1.00 0.12 N ATOM 891 CA THR A 62 -12.287 -7.897 -0.855 1.00 0.12 C ATOM 892 C THR A 62 -12.655 -6.501 -0.363 1.00 0.13 C ATOM 893 O THR A 62 -12.142 -6.069 0.664 1.00 0.13 O ATOM 894 CB THR A 62 -13.184 -8.951 -0.187 1.00 0.14 C ATOM 895 OG1 THR A 62 -13.349 -10.093 -1.040 1.00 0.16 O ATOM 896 CG2 THR A 62 -14.526 -8.372 0.214 1.00 0.16 C ATOM 0 H THR A 62 -10.649 -7.895 0.402 1.00 0.12 H new ATOM 0 HA THR A 62 -12.434 -7.942 -1.934 1.00 0.12 H new ATOM 0 HB THR A 62 -12.686 -9.276 0.727 1.00 0.14 H new ATOM 0 HG1 THR A 62 -13.922 -10.753 -0.596 1.00 0.16 H new ATOM 0 HG21 THR A 62 -15.132 -9.148 0.683 1.00 0.16 H new ATOM 0 HG22 THR A 62 -14.374 -7.555 0.919 1.00 0.16 H new ATOM 0 HG23 THR A 62 -15.039 -7.996 -0.671 1.00 0.16 H new ATOM 904 N GLY A 63 -13.523 -5.818 -1.105 1.00 0.15 N ATOM 905 CA GLY A 63 -14.040 -4.516 -0.702 1.00 0.17 C ATOM 906 C GLY A 63 -13.000 -3.616 -0.069 1.00 0.17 C ATOM 907 O GLY A 63 -11.995 -3.273 -0.693 1.00 0.24 O ATOM 0 H GLY A 63 -13.886 -6.151 -1.998 1.00 0.15 H new ATOM 0 HA2 GLY A 63 -14.458 -4.015 -1.575 1.00 0.17 H new ATOM 0 HA3 GLY A 63 -14.858 -4.663 0.003 1.00 0.17 H new ATOM 911 N ASP A 64 -13.246 -3.249 1.180 1.00 0.14 N ATOM 912 CA ASP A 64 -12.315 -2.444 1.944 1.00 0.14 C ATOM 913 C ASP A 64 -11.691 -3.282 3.053 1.00 0.11 C ATOM 914 O ASP A 64 -11.151 -2.760 4.025 1.00 0.13 O ATOM 915 CB ASP A 64 -13.019 -1.240 2.550 1.00 0.19 C ATOM 916 CG ASP A 64 -13.696 -0.358 1.516 1.00 1.30 C ATOM 917 OD1 ASP A 64 -12.992 0.305 0.729 1.00 2.21 O ATOM 918 OD2 ASP A 64 -14.948 -0.323 1.490 1.00 1.57 O1- ATOM 0 H ASP A 64 -14.094 -3.501 1.687 1.00 0.14 H new ATOM 0 HA ASP A 64 -11.533 -2.091 1.271 1.00 0.14 H new ATOM 0 HB2 ASP A 64 -13.764 -1.586 3.266 1.00 0.19 H new ATOM 0 HB3 ASP A 64 -12.294 -0.646 3.106 1.00 0.19 H new ATOM 923 N GLN A 65 -11.777 -4.592 2.887 1.00 0.10 N ATOM 924 CA GLN A 65 -11.226 -5.561 3.813 1.00 0.10 C ATOM 925 C GLN A 65 -9.728 -5.705 3.628 1.00 0.08 C ATOM 926 O GLN A 65 -9.193 -6.798 3.686 1.00 0.09 O ATOM 927 CB GLN A 65 -11.882 -6.915 3.644 1.00 0.11 C ATOM 928 CG GLN A 65 -13.364 -6.837 3.360 1.00 0.16 C ATOM 929 CD GLN A 65 -14.209 -6.915 4.602 1.00 0.28 C ATOM 930 OE1 GLN A 65 -14.534 -8.000 5.079 1.00 0.66 O ATOM 931 NE2 GLN A 65 -14.608 -5.770 5.109 1.00 0.34 N ATOM 0 H GLN A 65 -12.243 -5.018 2.086 1.00 0.10 H new ATOM 0 HA GLN A 65 -11.427 -5.192 4.819 1.00 0.10 H new ATOM 0 HB2 GLN A 65 -11.392 -7.448 2.829 1.00 0.11 H new ATOM 0 HB3 GLN A 65 -11.724 -7.502 4.549 1.00 0.11 H new ATOM 0 HG2 GLN A 65 -13.579 -5.904 2.840 1.00 0.16 H new ATOM 0 HG3 GLN A 65 -13.642 -7.648 2.687 1.00 0.16 H new ATOM 0 HE21 GLN A 65 -14.314 -4.892 4.681 1.00 0.34 H new ATOM 0 HE22 GLN A 65 -15.212 -5.759 5.931 1.00 0.34 H new ATOM 940 N TYR A 66 -9.079 -4.625 3.313 1.00 0.07 N ATOM 941 CA TYR A 66 -7.656 -4.649 3.067 1.00 0.06 C ATOM 942 C TYR A 66 -6.929 -3.982 4.202 1.00 0.05 C ATOM 943 O TYR A 66 -7.538 -3.299 5.009 1.00 0.05 O ATOM 944 CB TYR A 66 -7.324 -3.925 1.781 1.00 0.07 C ATOM 945 CG TYR A 66 -7.687 -2.457 1.789 1.00 0.07 C ATOM 946 CD1 TYR A 66 -6.725 -1.487 2.034 1.00 0.08 C ATOM 947 CD2 TYR A 66 -8.986 -2.043 1.537 1.00 0.08 C ATOM 948 CE1 TYR A 66 -7.050 -0.146 2.023 1.00 0.09 C ATOM 949 CE2 TYR A 66 -9.321 -0.705 1.533 1.00 0.09 C ATOM 950 CZ TYR A 66 -8.352 0.239 1.775 1.00 0.09 C ATOM 951 OH TYR A 66 -8.685 1.570 1.753 1.00 0.11 O ATOM 0 H TYR A 66 -9.510 -3.706 3.218 1.00 0.07 H new ATOM 0 HA TYR A 66 -7.343 -5.690 2.984 1.00 0.06 H new ATOM 0 HB2 TYR A 66 -6.256 -4.023 1.586 1.00 0.07 H new ATOM 0 HB3 TYR A 66 -7.845 -4.413 0.957 1.00 0.07 H new ATOM 0 HD1 TYR A 66 -5.707 -1.786 2.236 1.00 0.08 H new ATOM 0 HD2 TYR A 66 -9.749 -2.781 1.340 1.00 0.08 H new ATOM 0 HE1 TYR A 66 -6.290 0.598 2.207 1.00 0.09 H new ATOM 0 HE2 TYR A 66 -10.339 -0.401 1.341 1.00 0.09 H new ATOM 0 HH TYR A 66 -9.253 1.778 2.524 1.00 0.11 H new ATOM 961 N ILE A 67 -5.632 -4.164 4.260 1.00 0.05 N ATOM 962 CA ILE A 67 -4.839 -3.491 5.250 1.00 0.05 C ATOM 963 C ILE A 67 -3.669 -2.818 4.589 1.00 0.05 C ATOM 964 O ILE A 67 -2.695 -3.445 4.233 1.00 0.06 O ATOM 965 CB ILE A 67 -4.319 -4.452 6.332 1.00 0.05 C ATOM 966 CG1 ILE A 67 -5.476 -5.060 7.107 1.00 0.06 C ATOM 967 CG2 ILE A 67 -3.351 -3.731 7.259 1.00 0.06 C ATOM 968 CD1 ILE A 67 -5.049 -6.108 8.091 1.00 0.07 C ATOM 0 H ILE A 67 -5.107 -4.773 3.632 1.00 0.05 H new ATOM 0 HA ILE A 67 -5.481 -2.756 5.735 1.00 0.05 H new ATOM 0 HB ILE A 67 -3.779 -5.266 5.848 1.00 0.05 H new ATOM 0 HG12 ILE A 67 -6.004 -4.268 7.638 1.00 0.06 H new ATOM 0 HG13 ILE A 67 -6.184 -5.499 6.404 1.00 0.06 H new ATOM 0 HG21 ILE A 67 -2.991 -4.424 8.020 1.00 0.06 H new ATOM 0 HG22 ILE A 67 -2.506 -3.355 6.682 1.00 0.06 H new ATOM 0 HG23 ILE A 67 -3.861 -2.897 7.740 1.00 0.06 H new ATOM 0 HD11 ILE A 67 -5.925 -6.499 8.609 1.00 0.07 H new ATOM 0 HD12 ILE A 67 -4.547 -6.919 7.564 1.00 0.07 H new ATOM 0 HD13 ILE A 67 -4.365 -5.668 8.817 1.00 0.07 H new ATOM 980 N LEU A 68 -3.773 -1.546 4.417 1.00 0.05 N ATOM 981 CA LEU A 68 -2.731 -0.798 3.771 1.00 0.06 C ATOM 982 C LEU A 68 -1.858 -0.147 4.837 1.00 0.07 C ATOM 983 O LEU A 68 -2.323 0.078 5.951 1.00 0.11 O ATOM 984 CB LEU A 68 -3.386 0.229 2.881 1.00 0.06 C ATOM 985 CG LEU A 68 -2.460 1.192 2.176 1.00 0.07 C ATOM 986 CD1 LEU A 68 -1.832 0.531 0.965 1.00 0.09 C ATOM 987 CD2 LEU A 68 -3.221 2.438 1.792 1.00 0.10 C ATOM 0 H LEU A 68 -4.574 -0.990 4.715 1.00 0.05 H new ATOM 0 HA LEU A 68 -2.092 -1.437 3.162 1.00 0.06 H new ATOM 0 HB2 LEU A 68 -3.972 -0.296 2.127 1.00 0.06 H new ATOM 0 HB3 LEU A 68 -4.086 0.807 3.484 1.00 0.06 H new ATOM 0 HG LEU A 68 -1.652 1.477 2.850 1.00 0.07 H new ATOM 0 HD11 LEU A 68 -1.168 1.238 0.468 1.00 0.09 H new ATOM 0 HD12 LEU A 68 -1.261 -0.342 1.282 1.00 0.09 H new ATOM 0 HD13 LEU A 68 -2.615 0.221 0.273 1.00 0.09 H new ATOM 0 HD21 LEU A 68 -2.551 3.131 1.284 1.00 0.10 H new ATOM 0 HD22 LEU A 68 -4.042 2.172 1.126 1.00 0.10 H new ATOM 0 HD23 LEU A 68 -3.620 2.911 2.689 1.00 0.10 H new ATOM 999 N GLU A 69 -0.603 0.125 4.526 1.00 0.07 N ATOM 1000 CA GLU A 69 0.301 0.738 5.492 1.00 0.08 C ATOM 1001 C GLU A 69 1.304 1.647 4.821 1.00 0.08 C ATOM 1002 O GLU A 69 1.757 1.383 3.707 1.00 0.09 O ATOM 1003 CB GLU A 69 1.044 -0.340 6.279 1.00 0.11 C ATOM 1004 CG GLU A 69 0.290 -0.827 7.498 1.00 0.17 C ATOM 1005 CD GLU A 69 0.357 0.159 8.643 1.00 0.42 C ATOM 1006 OE1 GLU A 69 1.255 0.018 9.498 1.00 0.93 O ATOM 1007 OE2 GLU A 69 -0.475 1.086 8.695 1.00 0.76 O1- ATOM 0 H GLU A 69 -0.184 -0.067 3.616 1.00 0.07 H new ATOM 0 HA GLU A 69 -0.306 1.339 6.169 1.00 0.08 H new ATOM 0 HB2 GLU A 69 1.242 -1.187 5.622 1.00 0.11 H new ATOM 0 HB3 GLU A 69 2.011 0.052 6.593 1.00 0.11 H new ATOM 0 HG2 GLU A 69 -0.752 -1.002 7.232 1.00 0.17 H new ATOM 0 HG3 GLU A 69 0.702 -1.783 7.820 1.00 0.17 H new ATOM 1014 N ARG A 70 1.620 2.741 5.498 1.00 0.10 N ATOM 1015 CA ARG A 70 2.698 3.608 5.064 1.00 0.10 C ATOM 1016 C ARG A 70 4.024 2.934 5.304 1.00 0.09 C ATOM 1017 O ARG A 70 4.252 2.338 6.358 1.00 0.10 O ATOM 1018 CB ARG A 70 2.680 4.945 5.796 1.00 0.14 C ATOM 1019 CG ARG A 70 1.321 5.594 5.845 1.00 0.40 C ATOM 1020 CD ARG A 70 0.612 5.316 7.160 1.00 0.30 C ATOM 1021 NE ARG A 70 -0.556 6.171 7.345 1.00 0.84 N ATOM 1022 CZ ARG A 70 -1.448 6.012 8.320 1.00 1.21 C ATOM 1023 NH1 ARG A 70 -1.300 5.038 9.210 1.00 1.48 N1+ ATOM 1024 NH2 ARG A 70 -2.484 6.836 8.409 1.00 1.74 N ATOM 0 H ARG A 70 1.145 3.046 6.347 1.00 0.10 H new ATOM 0 HA ARG A 70 2.557 3.799 4.000 1.00 0.10 H new ATOM 0 HB2 ARG A 70 3.038 4.796 6.815 1.00 0.14 H new ATOM 0 HB3 ARG A 70 3.379 5.625 5.309 1.00 0.14 H new ATOM 0 HG2 ARG A 70 1.427 6.670 5.709 1.00 0.40 H new ATOM 0 HG3 ARG A 70 0.712 5.227 5.019 1.00 0.40 H new ATOM 0 HD2 ARG A 70 0.304 4.271 7.192 1.00 0.30 H new ATOM 0 HD3 ARG A 70 1.307 5.469 7.986 1.00 0.30 H new ATOM 0 HE ARG A 70 -0.697 6.937 6.687 1.00 0.84 H new ATOM 0 HH11 ARG A 70 -0.500 4.408 9.148 1.00 1.48 H new ATOM 0 HH12 ARG A 70 -1.986 4.920 9.956 1.00 1.48 H new ATOM 0 HH21 ARG A 70 -2.596 7.590 7.731 1.00 1.74 H new ATOM 0 HH22 ARG A 70 -3.169 6.716 9.155 1.00 1.74 H new ATOM 1038 N VAL A 71 4.891 3.033 4.322 1.00 0.07 N ATOM 1039 CA VAL A 71 6.137 2.313 4.342 1.00 0.07 C ATOM 1040 C VAL A 71 7.317 3.226 4.110 1.00 0.07 C ATOM 1041 O VAL A 71 8.151 3.379 4.985 1.00 0.08 O ATOM 1042 CB VAL A 71 6.131 1.233 3.266 1.00 0.08 C ATOM 1043 CG1 VAL A 71 7.379 0.388 3.344 1.00 0.07 C ATOM 1044 CG2 VAL A 71 4.891 0.381 3.384 1.00 0.11 C ATOM 0 H VAL A 71 4.751 3.612 3.494 1.00 0.07 H new ATOM 0 HA VAL A 71 6.237 1.864 5.330 1.00 0.07 H new ATOM 0 HB VAL A 71 6.120 1.719 2.290 1.00 0.08 H new ATOM 0 HG11 VAL A 71 7.351 -0.375 2.566 1.00 0.07 H new ATOM 0 HG12 VAL A 71 8.256 1.020 3.201 1.00 0.07 H new ATOM 0 HG13 VAL A 71 7.433 -0.092 4.321 1.00 0.07 H new ATOM 0 HG21 VAL A 71 4.901 -0.385 2.609 1.00 0.11 H new ATOM 0 HG22 VAL A 71 4.868 -0.095 4.365 1.00 0.11 H new ATOM 0 HG23 VAL A 71 4.007 1.007 3.264 1.00 0.11 H new ATOM 1054 N ASN A 72 7.384 3.833 2.935 1.00 0.06 N ATOM 1055 CA ASN A 72 8.595 4.527 2.532 1.00 0.07 C ATOM 1056 C ASN A 72 8.298 5.745 1.687 1.00 0.07 C ATOM 1057 O ASN A 72 7.223 5.865 1.111 1.00 0.08 O ATOM 1058 CB ASN A 72 9.458 3.560 1.749 1.00 0.10 C ATOM 1059 CG ASN A 72 10.871 4.040 1.500 1.00 0.12 C ATOM 1060 OD1 ASN A 72 11.128 4.807 0.582 1.00 0.13 O ATOM 1061 ND2 ASN A 72 11.803 3.543 2.287 1.00 0.14 N ATOM 0 H ASN A 72 6.626 3.859 2.253 1.00 0.06 H new ATOM 0 HA ASN A 72 9.111 4.875 3.427 1.00 0.07 H new ATOM 0 HB2 ASN A 72 9.499 2.612 2.286 1.00 0.10 H new ATOM 0 HB3 ASN A 72 8.981 3.362 0.789 1.00 0.10 H new ATOM 0 HD21 ASN A 72 12.781 3.795 2.142 1.00 0.14 H new ATOM 0 HD22 ASN A 72 11.547 2.906 3.042 1.00 0.14 H new ATOM 1068 N ILE A 73 9.256 6.648 1.621 1.00 0.08 N ATOM 1069 CA ILE A 73 9.168 7.767 0.692 1.00 0.08 C ATOM 1070 C ILE A 73 10.372 7.764 -0.238 1.00 0.09 C ATOM 1071 O ILE A 73 11.498 8.030 0.179 1.00 0.11 O ATOM 1072 CB ILE A 73 9.058 9.147 1.385 1.00 0.08 C ATOM 1073 CG1 ILE A 73 7.725 9.300 2.117 1.00 0.08 C ATOM 1074 CG2 ILE A 73 9.197 10.257 0.355 1.00 0.09 C ATOM 1075 CD1 ILE A 73 7.611 10.593 2.898 1.00 0.10 C ATOM 0 H ILE A 73 10.100 6.633 2.193 1.00 0.08 H new ATOM 0 HA ILE A 73 8.244 7.623 0.131 1.00 0.08 H new ATOM 0 HB ILE A 73 9.862 9.217 2.117 1.00 0.08 H new ATOM 0 HG12 ILE A 73 6.913 9.250 1.392 1.00 0.08 H new ATOM 0 HG13 ILE A 73 7.595 8.460 2.799 1.00 0.08 H new ATOM 0 HG21 ILE A 73 9.119 11.225 0.850 1.00 0.09 H new ATOM 0 HG22 ILE A 73 10.167 10.178 -0.136 1.00 0.09 H new ATOM 0 HG23 ILE A 73 8.405 10.165 -0.389 1.00 0.09 H new ATOM 0 HD11 ILE A 73 6.640 10.635 3.392 1.00 0.10 H new ATOM 0 HD12 ILE A 73 8.402 10.637 3.647 1.00 0.10 H new ATOM 0 HD13 ILE A 73 7.709 11.439 2.218 1.00 0.10 H new ATOM 1087 N VAL A 74 10.121 7.440 -1.493 1.00 0.10 N ATOM 1088 CA VAL A 74 11.163 7.450 -2.514 1.00 0.13 C ATOM 1089 C VAL A 74 10.837 8.516 -3.536 1.00 0.15 C ATOM 1090 O VAL A 74 9.841 8.394 -4.241 1.00 0.15 O ATOM 1091 CB VAL A 74 11.292 6.092 -3.245 1.00 0.15 C ATOM 1092 CG1 VAL A 74 12.261 6.197 -4.415 1.00 0.18 C ATOM 1093 CG2 VAL A 74 11.744 5.001 -2.295 1.00 0.24 C ATOM 0 H VAL A 74 9.200 7.165 -1.835 1.00 0.10 H new ATOM 0 HA VAL A 74 12.110 7.651 -2.013 1.00 0.13 H new ATOM 0 HB VAL A 74 10.306 5.830 -3.628 1.00 0.15 H new ATOM 0 HG11 VAL A 74 12.336 5.231 -4.914 1.00 0.18 H new ATOM 0 HG12 VAL A 74 11.898 6.943 -5.122 1.00 0.18 H new ATOM 0 HG13 VAL A 74 13.244 6.493 -4.048 1.00 0.18 H new ATOM 0 HG21 VAL A 74 11.826 4.058 -2.836 1.00 0.24 H new ATOM 0 HG22 VAL A 74 12.715 5.264 -1.875 1.00 0.24 H new ATOM 0 HG23 VAL A 74 11.017 4.895 -1.490 1.00 0.24 H new ATOM 1103 N ASN A 75 11.640 9.578 -3.582 1.00 0.20 N ATOM 1104 CA ASN A 75 11.423 10.676 -4.532 1.00 0.25 C ATOM 1105 C ASN A 75 10.133 11.434 -4.184 1.00 0.20 C ATOM 1106 O ASN A 75 9.718 12.365 -4.873 1.00 0.25 O ATOM 1107 CB ASN A 75 11.359 10.068 -5.955 1.00 0.29 C ATOM 1108 CG ASN A 75 10.658 10.922 -6.992 1.00 0.33 C ATOM 1109 OD1 ASN A 75 9.333 10.858 -7.011 1.00 0.39 O flip ATOM 1110 ND2 ASN A 75 11.297 11.653 -7.747 1.00 0.31 N flip ATOM 0 H ASN A 75 12.449 9.704 -2.973 1.00 0.20 H new ATOM 0 HA ASN A 75 12.239 11.396 -4.482 1.00 0.25 H new ATOM 0 HB2 ASN A 75 12.376 9.874 -6.295 1.00 0.29 H new ATOM 0 HB3 ASN A 75 10.852 9.105 -5.898 1.00 0.29 H new ATOM 0 HD21 ASN A 75 12.316 11.671 -7.698 1.00 0.31 H new ATOM 0 HD22 ASN A 75 10.808 12.241 -8.422 1.00 0.31 H new ATOM 1117 N GLY A 76 9.568 11.116 -3.038 1.00 0.13 N ATOM 1118 CA GLY A 76 8.254 11.621 -2.714 1.00 0.10 C ATOM 1119 C GLY A 76 7.149 10.778 -3.328 1.00 0.09 C ATOM 1120 O GLY A 76 6.009 11.213 -3.421 1.00 0.11 O ATOM 0 H GLY A 76 9.991 10.520 -2.327 1.00 0.13 H new ATOM 0 HA2 GLY A 76 8.132 11.644 -1.631 1.00 0.10 H new ATOM 0 HA3 GLY A 76 8.164 12.648 -3.067 1.00 0.10 H new ATOM 1124 N ASN A 77 7.490 9.562 -3.732 1.00 0.09 N ATOM 1125 CA ASN A 77 6.536 8.634 -4.336 1.00 0.10 C ATOM 1126 C ASN A 77 5.928 7.728 -3.285 1.00 0.09 C ATOM 1127 O ASN A 77 5.693 6.557 -3.551 1.00 0.10 O ATOM 1128 CB ASN A 77 7.195 7.787 -5.427 1.00 0.14 C ATOM 1129 CG ASN A 77 7.134 8.442 -6.788 1.00 0.23 C ATOM 1130 OD1 ASN A 77 6.230 9.222 -7.069 1.00 0.38 O ATOM 1131 ND2 ASN A 77 8.079 8.112 -7.649 1.00 0.36 N ATOM 0 H ASN A 77 8.436 9.188 -3.651 1.00 0.09 H new ATOM 0 HA ASN A 77 5.747 9.232 -4.792 1.00 0.10 H new ATOM 0 HB2 ASN A 77 8.237 7.606 -5.162 1.00 0.14 H new ATOM 0 HB3 ASN A 77 6.704 6.815 -5.473 1.00 0.14 H new ATOM 0 HD21 ASN A 77 8.075 8.510 -8.588 1.00 0.36 H new ATOM 0 HD22 ASN A 77 8.813 7.459 -7.375 1.00 0.36 H new ATOM 1138 N GLY A 78 5.677 8.307 -2.111 1.00 0.07 N ATOM 1139 CA GLY A 78 5.316 7.561 -0.897 1.00 0.07 C ATOM 1140 C GLY A 78 4.709 6.201 -1.145 1.00 0.06 C ATOM 1141 O GLY A 78 3.619 6.074 -1.705 1.00 0.08 O ATOM 0 H GLY A 78 5.718 9.316 -1.971 1.00 0.07 H new ATOM 0 HA2 GLY A 78 6.209 7.438 -0.284 1.00 0.07 H new ATOM 0 HA3 GLY A 78 4.611 8.157 -0.317 1.00 0.07 H new ATOM 1145 N TYR A 79 5.429 5.187 -0.716 1.00 0.06 N ATOM 1146 CA TYR A 79 5.049 3.816 -0.969 1.00 0.05 C ATOM 1147 C TYR A 79 4.216 3.271 0.157 1.00 0.06 C ATOM 1148 O TYR A 79 4.534 3.426 1.341 1.00 0.06 O ATOM 1149 CB TYR A 79 6.273 2.931 -1.195 1.00 0.06 C ATOM 1150 CG TYR A 79 6.917 3.153 -2.542 1.00 0.07 C ATOM 1151 CD1 TYR A 79 6.919 2.155 -3.509 1.00 0.09 C ATOM 1152 CD2 TYR A 79 7.511 4.367 -2.857 1.00 0.11 C ATOM 1153 CE1 TYR A 79 7.484 2.357 -4.735 1.00 0.13 C ATOM 1154 CE2 TYR A 79 8.084 4.585 -4.088 1.00 0.15 C ATOM 1155 CZ TYR A 79 8.070 3.576 -5.030 1.00 0.15 C ATOM 1156 OH TYR A 79 8.631 3.786 -6.265 1.00 0.19 O ATOM 0 H TYR A 79 6.293 5.290 -0.183 1.00 0.06 H new ATOM 0 HA TYR A 79 4.450 3.808 -1.880 1.00 0.05 H new ATOM 0 HB2 TYR A 79 7.005 3.125 -0.411 1.00 0.06 H new ATOM 0 HB3 TYR A 79 5.980 1.885 -1.106 1.00 0.06 H new ATOM 0 HD1 TYR A 79 6.465 1.201 -3.286 1.00 0.09 H new ATOM 0 HD2 TYR A 79 7.524 5.157 -2.120 1.00 0.11 H new ATOM 0 HE1 TYR A 79 7.474 1.568 -5.473 1.00 0.13 H new ATOM 0 HE2 TYR A 79 8.541 5.537 -4.316 1.00 0.15 H new ATOM 0 HH TYR A 79 8.998 4.694 -6.308 1.00 0.19 H new ATOM 1166 N TYR A 80 3.148 2.638 -0.245 1.00 0.07 N ATOM 1167 CA TYR A 80 2.217 2.020 0.658 1.00 0.07 C ATOM 1168 C TYR A 80 2.142 0.556 0.345 1.00 0.09 C ATOM 1169 O TYR A 80 2.051 0.182 -0.813 1.00 0.13 O ATOM 1170 CB TYR A 80 0.839 2.630 0.473 1.00 0.07 C ATOM 1171 CG TYR A 80 0.659 3.986 1.090 1.00 0.07 C ATOM 1172 CD1 TYR A 80 1.160 5.104 0.452 1.00 0.09 C ATOM 1173 CD2 TYR A 80 0.028 4.146 2.316 1.00 0.09 C ATOM 1174 CE1 TYR A 80 1.044 6.356 1.016 1.00 0.11 C ATOM 1175 CE2 TYR A 80 -0.102 5.397 2.885 1.00 0.11 C ATOM 1176 CZ TYR A 80 0.243 6.478 2.227 1.00 0.11 C ATOM 1177 OH TYR A 80 0.307 7.747 2.797 1.00 0.16 O ATOM 0 H TYR A 80 2.896 2.536 -1.228 1.00 0.07 H new ATOM 0 HA TYR A 80 2.548 2.175 1.685 1.00 0.07 H new ATOM 0 HB2 TYR A 80 0.630 2.702 -0.594 1.00 0.07 H new ATOM 0 HB3 TYR A 80 0.098 1.953 0.898 1.00 0.07 H new ATOM 0 HD1 TYR A 80 1.650 4.995 -0.504 1.00 0.09 H new ATOM 0 HD2 TYR A 80 -0.366 3.282 2.831 1.00 0.09 H new ATOM 0 HE1 TYR A 80 1.529 7.215 0.577 1.00 0.11 H new ATOM 0 HE2 TYR A 80 -0.494 5.487 3.887 1.00 0.11 H new ATOM 0 HH TYR A 80 0.131 8.423 2.110 1.00 0.16 H new ATOM 1187 N ASN A 81 2.176 -0.283 1.342 1.00 0.10 N ATOM 1188 CA ASN A 81 2.023 -1.694 1.068 1.00 0.14 C ATOM 1189 C ASN A 81 0.640 -2.153 1.465 1.00 0.08 C ATOM 1190 O ASN A 81 0.046 -1.652 2.419 1.00 0.11 O ATOM 1191 CB ASN A 81 3.118 -2.572 1.695 1.00 0.32 C ATOM 1192 CG ASN A 81 3.350 -2.332 3.166 1.00 0.60 C ATOM 1193 OD1 ASN A 81 2.476 -1.864 3.882 1.00 1.56 O ATOM 1194 ND2 ASN A 81 4.552 -2.657 3.628 1.00 0.33 N ATOM 0 H ASN A 81 2.304 -0.032 2.322 1.00 0.10 H new ATOM 0 HA ASN A 81 2.145 -1.820 -0.008 1.00 0.14 H new ATOM 0 HB2 ASN A 81 2.854 -3.619 1.548 1.00 0.32 H new ATOM 0 HB3 ASN A 81 4.053 -2.401 1.161 1.00 0.32 H new ATOM 0 HD21 ASN A 81 4.774 -2.519 4.614 1.00 0.33 H new ATOM 0 HD22 ASN A 81 5.253 -3.045 2.997 1.00 0.33 H new ATOM 1201 N LEU A 82 0.121 -3.079 0.696 1.00 0.06 N ATOM 1202 CA LEU A 82 -1.219 -3.569 0.884 1.00 0.06 C ATOM 1203 C LEU A 82 -1.156 -4.945 1.506 1.00 0.06 C ATOM 1204 O LEU A 82 -0.355 -5.792 1.106 1.00 0.07 O ATOM 1205 CB LEU A 82 -1.932 -3.655 -0.458 1.00 0.08 C ATOM 1206 CG LEU A 82 -3.353 -3.099 -0.502 1.00 0.11 C ATOM 1207 CD1 LEU A 82 -4.197 -3.931 -1.441 1.00 0.19 C ATOM 1208 CD2 LEU A 82 -3.988 -3.052 0.878 1.00 0.08 C ATOM 0 H LEU A 82 0.620 -3.514 -0.080 1.00 0.06 H new ATOM 0 HA LEU A 82 -1.767 -2.889 1.536 1.00 0.06 H new ATOM 0 HB2 LEU A 82 -1.333 -3.125 -1.199 1.00 0.08 H new ATOM 0 HB3 LEU A 82 -1.964 -4.701 -0.763 1.00 0.08 H new ATOM 0 HG LEU A 82 -3.301 -2.074 -0.868 1.00 0.11 H new ATOM 0 HD11 LEU A 82 -5.211 -3.531 -1.470 1.00 0.19 H new ATOM 0 HD12 LEU A 82 -3.766 -3.900 -2.442 1.00 0.19 H new ATOM 0 HD13 LEU A 82 -4.224 -4.962 -1.089 1.00 0.19 H new ATOM 0 HD21 LEU A 82 -4.998 -2.650 0.800 1.00 0.08 H new ATOM 0 HD22 LEU A 82 -4.029 -4.059 1.294 1.00 0.08 H new ATOM 0 HD23 LEU A 82 -3.393 -2.414 1.531 1.00 0.08 H new ATOM 1220 N TYR A 83 -1.985 -5.137 2.492 1.00 0.06 N ATOM 1221 CA TYR A 83 -2.044 -6.367 3.227 1.00 0.06 C ATOM 1222 C TYR A 83 -3.445 -6.930 3.186 1.00 0.06 C ATOM 1223 O TYR A 83 -4.417 -6.217 2.925 1.00 0.05 O ATOM 1224 CB TYR A 83 -1.651 -6.108 4.680 1.00 0.06 C ATOM 1225 CG TYR A 83 -0.212 -5.720 4.867 1.00 0.09 C ATOM 1226 CD1 TYR A 83 0.810 -6.629 4.628 1.00 0.11 C ATOM 1227 CD2 TYR A 83 0.126 -4.449 5.273 1.00 0.11 C ATOM 1228 CE1 TYR A 83 2.131 -6.268 4.790 1.00 0.14 C ATOM 1229 CE2 TYR A 83 1.438 -4.083 5.441 1.00 0.15 C ATOM 1230 CZ TYR A 83 2.444 -5.020 5.227 1.00 0.16 C ATOM 1231 OH TYR A 83 3.754 -4.608 5.343 1.00 0.19 O ATOM 0 H TYR A 83 -2.649 -4.432 2.812 1.00 0.06 H new ATOM 0 HA TYR A 83 -1.356 -7.083 2.777 1.00 0.06 H new ATOM 0 HB2 TYR A 83 -2.284 -5.317 5.081 1.00 0.06 H new ATOM 0 HB3 TYR A 83 -1.853 -7.005 5.265 1.00 0.06 H new ATOM 0 HD1 TYR A 83 0.567 -7.632 4.311 1.00 0.11 H new ATOM 0 HD2 TYR A 83 -0.655 -3.727 5.463 1.00 0.11 H new ATOM 0 HE1 TYR A 83 2.916 -6.976 4.570 1.00 0.14 H new ATOM 0 HE2 TYR A 83 1.688 -3.075 5.737 1.00 0.15 H new ATOM 0 HH TYR A 83 3.811 -3.878 5.995 1.00 0.19 H new ATOM 1241 N LYS A 84 -3.527 -8.214 3.423 1.00 0.07 N ATOM 1242 CA LYS A 84 -4.785 -8.886 3.616 1.00 0.08 C ATOM 1243 C LYS A 84 -5.308 -8.548 5.002 1.00 0.08 C ATOM 1244 O LYS A 84 -4.543 -8.064 5.828 1.00 0.08 O ATOM 1245 CB LYS A 84 -4.556 -10.387 3.473 1.00 0.09 C ATOM 1246 CG LYS A 84 -4.230 -10.799 2.057 1.00 0.10 C ATOM 1247 CD LYS A 84 -3.966 -12.290 1.945 1.00 0.11 C ATOM 1248 CE LYS A 84 -3.984 -12.738 0.500 1.00 0.17 C ATOM 1249 NZ LYS A 84 -3.857 -14.214 0.353 1.00 0.57 N1+ ATOM 0 H LYS A 84 -2.715 -8.828 3.488 1.00 0.07 H new ATOM 0 HA LYS A 84 -5.520 -8.567 2.877 1.00 0.08 H new ATOM 0 HB2 LYS A 84 -3.741 -10.690 4.131 1.00 0.09 H new ATOM 0 HB3 LYS A 84 -5.448 -10.919 3.805 1.00 0.09 H new ATOM 0 HG2 LYS A 84 -5.057 -10.527 1.401 1.00 0.10 H new ATOM 0 HG3 LYS A 84 -3.355 -10.249 1.712 1.00 0.10 H new ATOM 0 HD2 LYS A 84 -3.000 -12.526 2.390 1.00 0.11 H new ATOM 0 HD3 LYS A 84 -4.720 -12.840 2.509 1.00 0.11 H new ATOM 0 HE2 LYS A 84 -4.913 -12.409 0.034 1.00 0.17 H new ATOM 0 HE3 LYS A 84 -3.169 -12.252 -0.037 1.00 0.17 H new ATOM 0 HZ1 LYS A 84 -3.875 -14.465 -0.656 1.00 0.57 H new ATOM 0 HZ2 LYS A 84 -2.959 -14.529 0.772 1.00 0.57 H new ATOM 0 HZ3 LYS A 84 -4.648 -14.681 0.840 1.00 0.57 H new ATOM 1263 N PRO A 85 -6.598 -8.787 5.288 1.00 0.08 N ATOM 1264 CA PRO A 85 -7.150 -8.576 6.630 1.00 0.09 C ATOM 1265 C PRO A 85 -6.384 -9.351 7.692 1.00 0.10 C ATOM 1266 O PRO A 85 -6.485 -9.071 8.887 1.00 0.12 O ATOM 1267 CB PRO A 85 -8.567 -9.120 6.553 1.00 0.10 C ATOM 1268 CG PRO A 85 -8.904 -9.227 5.105 1.00 0.11 C ATOM 1269 CD PRO A 85 -7.612 -9.237 4.326 1.00 0.10 C ATOM 0 HA PRO A 85 -7.095 -7.524 6.909 1.00 0.09 H new ATOM 0 HB2 PRO A 85 -8.635 -10.093 7.040 1.00 0.10 H new ATOM 0 HB3 PRO A 85 -9.265 -8.458 7.065 1.00 0.10 H new ATOM 0 HG2 PRO A 85 -9.472 -10.137 4.912 1.00 0.11 H new ATOM 0 HG3 PRO A 85 -9.529 -8.389 4.796 1.00 0.11 H new ATOM 0 HD2 PRO A 85 -7.385 -10.233 3.947 1.00 0.10 H new ATOM 0 HD3 PRO A 85 -7.663 -8.572 3.464 1.00 0.10 H new ATOM 1277 N ASP A 86 -5.627 -10.331 7.239 1.00 0.11 N ATOM 1278 CA ASP A 86 -4.833 -11.159 8.125 1.00 0.13 C ATOM 1279 C ASP A 86 -3.470 -10.533 8.344 1.00 0.11 C ATOM 1280 O ASP A 86 -2.714 -10.944 9.216 1.00 0.16 O ATOM 1281 CB ASP A 86 -4.671 -12.547 7.534 1.00 0.20 C ATOM 1282 CG ASP A 86 -3.858 -13.484 8.408 1.00 1.25 C ATOM 1283 OD1 ASP A 86 -2.682 -13.740 8.075 1.00 1.85 O ATOM 1284 OD2 ASP A 86 -4.393 -13.977 9.423 1.00 1.93 O1- ATOM 0 H ASP A 86 -5.545 -10.575 6.252 1.00 0.11 H new ATOM 0 HA ASP A 86 -5.346 -11.237 9.084 1.00 0.13 H new ATOM 0 HB2 ASP A 86 -5.657 -12.981 7.369 1.00 0.20 H new ATOM 0 HB3 ASP A 86 -4.192 -12.465 6.559 1.00 0.20 H new ATOM 1289 N GLY A 87 -3.185 -9.509 7.555 1.00 0.09 N ATOM 1290 CA GLY A 87 -1.905 -8.847 7.612 1.00 0.10 C ATOM 1291 C GLY A 87 -0.953 -9.372 6.555 1.00 0.10 C ATOM 1292 O GLY A 87 0.181 -8.926 6.455 1.00 0.11 O ATOM 0 H GLY A 87 -3.831 -9.122 6.867 1.00 0.09 H new ATOM 0 HA2 GLY A 87 -2.044 -7.774 7.476 1.00 0.10 H new ATOM 0 HA3 GLY A 87 -1.466 -8.989 8.600 1.00 0.10 H new ATOM 1296 N THR A 88 -1.418 -10.308 5.738 1.00 0.10 N ATOM 1297 CA THR A 88 -0.572 -10.898 4.717 1.00 0.10 C ATOM 1298 C THR A 88 -0.205 -9.885 3.634 1.00 0.08 C ATOM 1299 O THR A 88 -1.081 -9.317 2.984 1.00 0.09 O ATOM 1300 CB THR A 88 -1.256 -12.112 4.075 1.00 0.13 C ATOM 1301 OG1 THR A 88 -1.208 -13.234 4.964 1.00 0.17 O ATOM 1302 CG2 THR A 88 -0.601 -12.459 2.751 1.00 0.13 C ATOM 0 H THR A 88 -2.371 -10.671 5.764 1.00 0.10 H new ATOM 0 HA THR A 88 0.345 -11.222 5.210 1.00 0.10 H new ATOM 0 HB THR A 88 -2.299 -11.859 3.884 1.00 0.13 H new ATOM 0 HG1 THR A 88 -1.649 -14.002 4.545 1.00 0.17 H new ATOM 0 HG21 THR A 88 -1.101 -13.323 2.313 1.00 0.13 H new ATOM 0 HG22 THR A 88 -0.681 -11.610 2.072 1.00 0.13 H new ATOM 0 HG23 THR A 88 0.451 -12.694 2.916 1.00 0.13 H new ATOM 1310 N TYR A 89 1.096 -9.650 3.475 1.00 0.08 N ATOM 1311 CA TYR A 89 1.608 -8.801 2.402 1.00 0.08 C ATOM 1312 C TYR A 89 1.109 -9.230 1.037 1.00 0.08 C ATOM 1313 O TYR A 89 1.182 -10.398 0.657 1.00 0.11 O ATOM 1314 CB TYR A 89 3.131 -8.822 2.422 1.00 0.09 C ATOM 1315 CG TYR A 89 3.766 -7.929 1.380 1.00 0.09 C ATOM 1316 CD1 TYR A 89 4.200 -8.449 0.168 1.00 0.11 C ATOM 1317 CD2 TYR A 89 3.934 -6.569 1.611 1.00 0.12 C ATOM 1318 CE1 TYR A 89 4.786 -7.640 -0.783 1.00 0.14 C ATOM 1319 CE2 TYR A 89 4.519 -5.753 0.662 1.00 0.15 C ATOM 1320 CZ TYR A 89 4.921 -6.286 -0.538 1.00 0.16 C ATOM 1321 OH TYR A 89 5.525 -5.484 -1.478 1.00 0.20 O ATOM 0 H TYR A 89 1.819 -10.039 4.080 1.00 0.08 H new ATOM 0 HA TYR A 89 1.240 -7.790 2.578 1.00 0.08 H new ATOM 0 HB2 TYR A 89 3.477 -8.516 3.409 1.00 0.09 H new ATOM 0 HB3 TYR A 89 3.473 -9.845 2.268 1.00 0.09 H new ATOM 0 HD1 TYR A 89 4.077 -9.503 -0.033 1.00 0.11 H new ATOM 0 HD2 TYR A 89 3.602 -6.144 2.547 1.00 0.12 H new ATOM 0 HE1 TYR A 89 5.137 -8.062 -1.713 1.00 0.14 H new ATOM 0 HE2 TYR A 89 4.659 -4.701 0.863 1.00 0.15 H new ATOM 0 HH TYR A 89 5.369 -5.853 -2.372 1.00 0.20 H new ATOM 1331 N LEU A 90 0.592 -8.250 0.327 1.00 0.07 N ATOM 1332 CA LEU A 90 0.132 -8.414 -1.033 1.00 0.07 C ATOM 1333 C LEU A 90 1.106 -7.749 -1.998 1.00 0.06 C ATOM 1334 O LEU A 90 1.687 -8.405 -2.862 1.00 0.08 O ATOM 1335 CB LEU A 90 -1.240 -7.778 -1.145 1.00 0.08 C ATOM 1336 CG LEU A 90 -2.305 -8.427 -0.272 1.00 0.09 C ATOM 1337 CD1 LEU A 90 -3.563 -7.581 -0.254 1.00 0.12 C ATOM 1338 CD2 LEU A 90 -2.595 -9.841 -0.752 1.00 0.12 C ATOM 0 H LEU A 90 0.478 -7.302 0.686 1.00 0.07 H new ATOM 0 HA LEU A 90 0.074 -9.472 -1.288 1.00 0.07 H new ATOM 0 HB2 LEU A 90 -1.162 -6.724 -0.879 1.00 0.08 H new ATOM 0 HB3 LEU A 90 -1.564 -7.821 -2.185 1.00 0.08 H new ATOM 0 HG LEU A 90 -1.931 -8.491 0.750 1.00 0.09 H new ATOM 0 HD11 LEU A 90 -4.314 -8.059 0.375 1.00 0.12 H new ATOM 0 HD12 LEU A 90 -3.332 -6.593 0.145 1.00 0.12 H new ATOM 0 HD13 LEU A 90 -3.949 -7.481 -1.268 1.00 0.12 H new ATOM 0 HD21 LEU A 90 -3.358 -10.291 -0.117 1.00 0.12 H new ATOM 0 HD22 LEU A 90 -2.951 -9.810 -1.782 1.00 0.12 H new ATOM 0 HD23 LEU A 90 -1.684 -10.437 -0.701 1.00 0.12 H new ATOM 1350 N PHE A 91 1.272 -6.439 -1.838 1.00 0.06 N ATOM 1351 CA PHE A 91 2.247 -5.678 -2.633 1.00 0.06 C ATOM 1352 C PHE A 91 2.582 -4.342 -1.999 1.00 0.05 C ATOM 1353 O PHE A 91 1.997 -3.948 -0.994 1.00 0.07 O ATOM 1354 CB PHE A 91 1.749 -5.406 -4.054 1.00 0.07 C ATOM 1355 CG PHE A 91 0.376 -4.806 -4.136 1.00 0.08 C ATOM 1356 CD1 PHE A 91 -0.736 -5.599 -4.400 1.00 0.12 C ATOM 1357 CD2 PHE A 91 0.193 -3.452 -3.941 1.00 0.08 C ATOM 1358 CE1 PHE A 91 -1.989 -5.046 -4.468 1.00 0.15 C ATOM 1359 CE2 PHE A 91 -1.064 -2.897 -4.008 1.00 0.10 C ATOM 1360 CZ PHE A 91 -2.162 -3.706 -4.304 1.00 0.13 C ATOM 0 H PHE A 91 0.747 -5.878 -1.167 1.00 0.06 H new ATOM 0 HA PHE A 91 3.137 -6.306 -2.668 1.00 0.06 H new ATOM 0 HB2 PHE A 91 2.453 -4.737 -4.549 1.00 0.07 H new ATOM 0 HB3 PHE A 91 1.755 -6.343 -4.611 1.00 0.07 H new ATOM 0 HD1 PHE A 91 -0.611 -6.661 -4.553 1.00 0.12 H new ATOM 0 HD2 PHE A 91 1.045 -2.822 -3.734 1.00 0.08 H new ATOM 0 HE1 PHE A 91 -2.845 -5.678 -4.653 1.00 0.15 H new ATOM 0 HE2 PHE A 91 -1.200 -1.840 -3.832 1.00 0.10 H new ATOM 0 HZ PHE A 91 -3.145 -3.270 -4.403 1.00 0.13 H new ATOM 1370 N THR A 92 3.529 -3.660 -2.618 1.00 0.05 N ATOM 1371 CA THR A 92 3.868 -2.294 -2.276 1.00 0.05 C ATOM 1372 C THR A 92 3.538 -1.399 -3.451 1.00 0.05 C ATOM 1373 O THR A 92 3.975 -1.648 -4.565 1.00 0.09 O ATOM 1374 CB THR A 92 5.354 -2.129 -1.925 1.00 0.08 C ATOM 1375 OG1 THR A 92 5.682 -2.894 -0.755 1.00 0.14 O ATOM 1376 CG2 THR A 92 5.675 -0.663 -1.696 1.00 0.09 C ATOM 0 H THR A 92 4.089 -4.044 -3.379 1.00 0.05 H new ATOM 0 HA THR A 92 3.288 -2.019 -1.395 1.00 0.05 H new ATOM 0 HB THR A 92 5.951 -2.497 -2.759 1.00 0.08 H new ATOM 0 HG1 THR A 92 5.637 -3.850 -0.966 1.00 0.14 H new ATOM 0 HG21 THR A 92 6.731 -0.556 -1.448 1.00 0.09 H new ATOM 0 HG22 THR A 92 5.456 -0.097 -2.601 1.00 0.09 H new ATOM 0 HG23 THR A 92 5.069 -0.282 -0.874 1.00 0.09 H new ATOM 1384 N LEU A 93 2.767 -0.373 -3.207 1.00 0.05 N ATOM 1385 CA LEU A 93 2.297 0.475 -4.266 1.00 0.05 C ATOM 1386 C LEU A 93 2.867 1.870 -4.137 1.00 0.06 C ATOM 1387 O LEU A 93 3.399 2.261 -3.097 1.00 0.06 O ATOM 1388 CB LEU A 93 0.781 0.510 -4.245 1.00 0.05 C ATOM 1389 CG LEU A 93 0.180 1.286 -3.082 1.00 0.05 C ATOM 1390 CD1 LEU A 93 -0.190 2.706 -3.502 1.00 0.06 C ATOM 1391 CD2 LEU A 93 -1.017 0.538 -2.533 1.00 0.06 C ATOM 0 H LEU A 93 2.450 -0.104 -2.276 1.00 0.05 H new ATOM 0 HA LEU A 93 2.634 0.070 -5.220 1.00 0.05 H new ATOM 0 HB2 LEU A 93 0.428 0.949 -5.178 1.00 0.05 H new ATOM 0 HB3 LEU A 93 0.408 -0.514 -4.213 1.00 0.05 H new ATOM 0 HG LEU A 93 0.925 1.372 -2.291 1.00 0.05 H new ATOM 0 HD11 LEU A 93 -0.617 3.237 -2.651 1.00 0.06 H new ATOM 0 HD12 LEU A 93 0.703 3.228 -3.845 1.00 0.06 H new ATOM 0 HD13 LEU A 93 -0.921 2.668 -4.310 1.00 0.06 H new ATOM 0 HD21 LEU A 93 -1.445 1.097 -1.700 1.00 0.06 H new ATOM 0 HD22 LEU A 93 -1.766 0.425 -3.317 1.00 0.06 H new ATOM 0 HD23 LEU A 93 -0.703 -0.446 -2.186 1.00 0.06 H new ATOM 1403 N ASN A 94 2.733 2.596 -5.211 1.00 0.06 N ATOM 1404 CA ASN A 94 3.154 3.971 -5.302 1.00 0.08 C ATOM 1405 C ASN A 94 1.904 4.813 -5.220 1.00 0.09 C ATOM 1406 O ASN A 94 1.018 4.663 -6.036 1.00 0.15 O ATOM 1407 CB ASN A 94 3.825 4.187 -6.659 1.00 0.09 C ATOM 1408 CG ASN A 94 4.677 5.439 -6.767 1.00 0.19 C ATOM 1409 OD1 ASN A 94 4.383 6.440 -5.968 1.00 1.15 O flip ATOM 1410 ND2 ASN A 94 5.612 5.493 -7.563 1.00 0.87 N flip ATOM 0 H ASN A 94 2.317 2.241 -6.072 1.00 0.06 H new ATOM 0 HA ASN A 94 3.855 4.234 -4.510 1.00 0.08 H new ATOM 0 HB2 ASN A 94 4.450 3.322 -6.879 1.00 0.09 H new ATOM 0 HB3 ASN A 94 3.052 4.226 -7.427 1.00 0.09 H new ATOM 0 HD21 ASN A 94 5.813 4.697 -8.169 1.00 0.87 H new ATOM 0 HD22 ASN A 94 6.187 6.333 -7.618 1.00 0.87 H new ATOM 1417 N CYS A 95 1.812 5.669 -4.235 1.00 0.07 N ATOM 1418 CA CYS A 95 0.623 6.477 -4.062 1.00 0.07 C ATOM 1419 C CYS A 95 0.556 7.521 -5.161 1.00 0.08 C ATOM 1420 O CYS A 95 -0.485 7.738 -5.770 1.00 0.10 O ATOM 1421 CB CYS A 95 0.659 7.155 -2.697 1.00 0.09 C ATOM 1422 SG CYS A 95 1.890 8.461 -2.552 1.00 0.18 S ATOM 0 H CYS A 95 2.542 5.827 -3.540 1.00 0.07 H new ATOM 0 HA CYS A 95 -0.261 5.842 -4.119 1.00 0.07 H new ATOM 0 HB2 CYS A 95 -0.325 7.574 -2.486 1.00 0.09 H new ATOM 0 HB3 CYS A 95 0.854 6.401 -1.935 1.00 0.09 H new ATOM 0 HG CYS A 95 2.240 8.591 -1.307 1.00 0.18 H new ATOM 1428 N LYS A 96 1.705 8.110 -5.439 1.00 0.09 N ATOM 1429 CA LYS A 96 1.812 9.235 -6.335 1.00 0.10 C ATOM 1430 C LYS A 96 1.496 8.840 -7.764 1.00 0.11 C ATOM 1431 O LYS A 96 0.991 9.645 -8.543 1.00 0.17 O ATOM 1432 CB LYS A 96 3.212 9.830 -6.218 1.00 0.10 C ATOM 1433 CG LYS A 96 3.392 10.638 -4.971 1.00 0.11 C ATOM 1434 CD LYS A 96 2.885 12.044 -5.141 1.00 0.18 C ATOM 1435 CE LYS A 96 3.625 12.958 -4.206 1.00 0.22 C ATOM 1436 NZ LYS A 96 3.249 14.380 -4.400 1.00 0.31 N1+ ATOM 0 H LYS A 96 2.597 7.814 -5.042 1.00 0.09 H new ATOM 0 HA LYS A 96 1.077 9.988 -6.052 1.00 0.10 H new ATOM 0 HB2 LYS A 96 3.947 9.025 -6.234 1.00 0.10 H new ATOM 0 HB3 LYS A 96 3.409 10.459 -7.086 1.00 0.10 H new ATOM 0 HG2 LYS A 96 2.864 10.158 -4.147 1.00 0.11 H new ATOM 0 HG3 LYS A 96 4.448 10.662 -4.702 1.00 0.11 H new ATOM 0 HD2 LYS A 96 3.024 12.370 -6.172 1.00 0.18 H new ATOM 0 HD3 LYS A 96 1.815 12.084 -4.935 1.00 0.18 H new ATOM 0 HE2 LYS A 96 3.419 12.666 -3.176 1.00 0.22 H new ATOM 0 HE3 LYS A 96 4.698 12.843 -4.361 1.00 0.22 H new ATOM 0 HZ1 LYS A 96 3.783 14.974 -3.735 1.00 0.31 H new ATOM 0 HZ2 LYS A 96 3.469 14.667 -5.375 1.00 0.31 H new ATOM 0 HZ3 LYS A 96 2.230 14.496 -4.227 1.00 0.31 H new ATOM 1450 N THR A 97 1.769 7.595 -8.104 1.00 0.11 N ATOM 1451 CA THR A 97 1.548 7.133 -9.454 1.00 0.11 C ATOM 1452 C THR A 97 0.456 6.071 -9.493 1.00 0.11 C ATOM 1453 O THR A 97 -0.116 5.787 -10.547 1.00 0.12 O ATOM 1454 CB THR A 97 2.854 6.580 -10.040 1.00 0.12 C ATOM 1455 OG1 THR A 97 3.135 5.284 -9.499 1.00 0.11 O ATOM 1456 CG2 THR A 97 4.003 7.518 -9.697 1.00 0.15 C ATOM 0 H THR A 97 2.142 6.892 -7.466 1.00 0.11 H new ATOM 0 HA THR A 97 1.219 7.978 -10.059 1.00 0.11 H new ATOM 0 HB THR A 97 2.744 6.501 -11.122 1.00 0.12 H new ATOM 0 HG1 THR A 97 4.001 4.971 -9.834 1.00 0.11 H new ATOM 0 HG21 THR A 97 4.930 7.125 -10.113 1.00 0.15 H new ATOM 0 HG22 THR A 97 3.806 8.504 -10.118 1.00 0.15 H new ATOM 0 HG23 THR A 97 4.097 7.598 -8.614 1.00 0.15 H new ATOM 1464 N GLY A 98 0.171 5.489 -8.329 1.00 0.10 N ATOM 1465 CA GLY A 98 -0.831 4.453 -8.228 1.00 0.10 C ATOM 1466 C GLY A 98 -0.350 3.144 -8.821 1.00 0.10 C ATOM 1467 O GLY A 98 -1.141 2.239 -9.092 1.00 0.13 O ATOM 0 H GLY A 98 0.626 5.724 -7.447 1.00 0.10 H new ATOM 0 HA2 GLY A 98 -1.094 4.303 -7.181 1.00 0.10 H new ATOM 0 HA3 GLY A 98 -1.738 4.773 -8.741 1.00 0.10 H new ATOM 1471 N TYR A 99 0.955 3.062 -9.041 1.00 0.10 N ATOM 1472 CA TYR A 99 1.592 1.846 -9.479 1.00 0.12 C ATOM 1473 C TYR A 99 1.717 0.897 -8.300 1.00 0.09 C ATOM 1474 O TYR A 99 1.522 1.298 -7.158 1.00 0.09 O ATOM 1475 CB TYR A 99 2.975 2.176 -10.036 1.00 0.18 C ATOM 1476 CG TYR A 99 3.430 1.235 -11.117 1.00 0.33 C ATOM 1477 CD1 TYR A 99 2.891 1.284 -12.394 1.00 0.43 C ATOM 1478 CD2 TYR A 99 4.407 0.295 -10.849 1.00 0.48 C ATOM 1479 CE1 TYR A 99 3.319 0.414 -13.377 1.00 0.60 C ATOM 1480 CE2 TYR A 99 4.841 -0.578 -11.824 1.00 0.64 C ATOM 1481 CZ TYR A 99 4.242 -0.485 -13.135 1.00 0.69 C ATOM 1482 OH TYR A 99 4.727 -1.384 -14.064 1.00 0.85 O ATOM 0 H TYR A 99 1.597 3.845 -8.918 1.00 0.10 H new ATOM 0 HA TYR A 99 0.997 1.372 -10.259 1.00 0.12 H new ATOM 0 HB2 TYR A 99 2.965 3.192 -10.431 1.00 0.18 H new ATOM 0 HB3 TYR A 99 3.699 2.158 -9.222 1.00 0.18 H new ATOM 0 HD1 TYR A 99 2.127 2.012 -12.622 1.00 0.43 H new ATOM 0 HD2 TYR A 99 4.838 0.243 -9.860 1.00 0.48 H new ATOM 0 HE1 TYR A 99 2.885 0.475 -14.364 1.00 0.60 H new ATOM 0 HE2 TYR A 99 5.607 -1.310 -11.614 1.00 0.64 H new ATOM 0 HH TYR A 99 5.409 -1.950 -13.646 1.00 0.85 H new ATOM 1492 N PHE A 100 2.038 -0.349 -8.569 1.00 0.10 N ATOM 1493 CA PHE A 100 2.222 -1.323 -7.510 1.00 0.09 C ATOM 1494 C PHE A 100 3.248 -2.367 -7.895 1.00 0.10 C ATOM 1495 O PHE A 100 3.338 -2.787 -9.050 1.00 0.13 O ATOM 1496 CB PHE A 100 0.894 -1.971 -7.113 1.00 0.10 C ATOM 1497 CG PHE A 100 0.086 -2.474 -8.271 1.00 0.13 C ATOM 1498 CD1 PHE A 100 -0.773 -1.621 -8.939 1.00 0.13 C ATOM 1499 CD2 PHE A 100 0.182 -3.788 -8.687 1.00 0.17 C ATOM 1500 CE1 PHE A 100 -1.525 -2.070 -10.007 1.00 0.16 C ATOM 1501 CE2 PHE A 100 -0.566 -4.246 -9.754 1.00 0.20 C ATOM 1502 CZ PHE A 100 -1.420 -3.385 -10.416 1.00 0.20 C ATOM 0 H PHE A 100 2.178 -0.714 -9.511 1.00 0.10 H new ATOM 0 HA PHE A 100 2.603 -0.792 -6.638 1.00 0.09 H new ATOM 0 HB2 PHE A 100 1.096 -2.802 -6.437 1.00 0.10 H new ATOM 0 HB3 PHE A 100 0.300 -1.245 -6.558 1.00 0.10 H new ATOM 0 HD1 PHE A 100 -0.857 -0.592 -8.622 1.00 0.13 H new ATOM 0 HD2 PHE A 100 0.849 -4.464 -8.173 1.00 0.17 H new ATOM 0 HE1 PHE A 100 -2.193 -1.395 -10.521 1.00 0.16 H new ATOM 0 HE2 PHE A 100 -0.483 -5.275 -10.070 1.00 0.20 H new ATOM 0 HZ PHE A 100 -2.005 -3.740 -11.252 1.00 0.20 H new ATOM 1512 N VAL A 101 4.027 -2.763 -6.910 1.00 0.08 N ATOM 1513 CA VAL A 101 5.135 -3.667 -7.106 1.00 0.09 C ATOM 1514 C VAL A 101 4.846 -4.989 -6.411 1.00 0.10 C ATOM 1515 O VAL A 101 4.280 -5.014 -5.321 1.00 0.12 O ATOM 1516 CB VAL A 101 6.449 -3.056 -6.553 1.00 0.10 C ATOM 1517 CG1 VAL A 101 6.472 -1.550 -6.759 1.00 0.12 C ATOM 1518 CG2 VAL A 101 6.648 -3.387 -5.084 1.00 0.10 C ATOM 0 H VAL A 101 3.906 -2.462 -5.943 1.00 0.08 H new ATOM 0 HA VAL A 101 5.259 -3.837 -8.175 1.00 0.09 H new ATOM 0 HB VAL A 101 7.273 -3.501 -7.111 1.00 0.10 H new ATOM 0 HG11 VAL A 101 7.403 -1.143 -6.364 1.00 0.12 H new ATOM 0 HG12 VAL A 101 6.402 -1.327 -7.824 1.00 0.12 H new ATOM 0 HG13 VAL A 101 5.628 -1.099 -6.238 1.00 0.12 H new ATOM 0 HG21 VAL A 101 7.579 -2.941 -4.734 1.00 0.10 H new ATOM 0 HG22 VAL A 101 5.815 -2.989 -4.505 1.00 0.10 H new ATOM 0 HG23 VAL A 101 6.693 -4.469 -4.958 1.00 0.10 H new ATOM 1528 N GLY A 102 5.221 -6.077 -7.044 1.00 0.11 N ATOM 1529 CA GLY A 102 5.004 -7.382 -6.451 1.00 0.16 C ATOM 1530 C GLY A 102 6.260 -7.900 -5.782 1.00 0.23 C ATOM 1531 O GLY A 102 7.304 -7.248 -5.836 1.00 0.49 O ATOM 0 H GLY A 102 5.673 -6.089 -7.959 1.00 0.11 H new ATOM 0 HA2 GLY A 102 4.198 -7.321 -5.719 1.00 0.16 H new ATOM 0 HA3 GLY A 102 4.683 -8.084 -7.220 1.00 0.16 H new ATOM 1535 N ASN A 103 6.174 -9.061 -5.149 1.00 0.28 N ATOM 1536 CA ASN A 103 7.342 -9.652 -4.505 1.00 0.34 C ATOM 1537 C ASN A 103 7.553 -11.084 -4.979 1.00 0.52 C ATOM 1538 O ASN A 103 8.418 -11.800 -4.472 1.00 1.18 O ATOM 1539 CB ASN A 103 7.216 -9.607 -2.974 1.00 0.57 C ATOM 1540 CG ASN A 103 6.205 -10.591 -2.405 1.00 0.56 C ATOM 1541 OD1 ASN A 103 5.217 -10.947 -3.050 1.00 1.18 O ATOM 1542 ND2 ASN A 103 6.446 -11.029 -1.176 1.00 0.52 N ATOM 0 H ASN A 103 5.318 -9.609 -5.067 1.00 0.28 H new ATOM 0 HA ASN A 103 8.212 -9.061 -4.790 1.00 0.34 H new ATOM 0 HB2 ASN A 103 8.192 -9.810 -2.534 1.00 0.57 H new ATOM 0 HB3 ASN A 103 6.934 -8.598 -2.673 1.00 0.57 H new ATOM 0 HD21 ASN A 103 5.802 -11.684 -0.733 1.00 0.52 H new ATOM 0 HD22 ASN A 103 7.275 -10.711 -0.675 1.00 0.52 H new ATOM 1549 N GLY A 104 6.755 -11.498 -5.952 1.00 1.34 N ATOM 1550 CA GLY A 104 6.886 -12.833 -6.495 1.00 1.58 C ATOM 1551 C GLY A 104 7.629 -12.840 -7.813 1.00 1.94 C ATOM 1552 O GLY A 104 7.727 -11.803 -8.477 1.00 2.58 O ATOM 0 H GLY A 104 6.019 -10.933 -6.375 1.00 1.34 H new ATOM 0 HA2 GLY A 104 7.412 -13.465 -5.779 1.00 1.58 H new ATOM 0 HA3 GLY A 104 5.896 -13.266 -6.635 1.00 1.58 H new ATOM 1556 N ALA A 105 8.154 -14.006 -8.181 1.00 2.18 N ATOM 1557 CA ALA A 105 8.878 -14.188 -9.438 1.00 2.72 C ATOM 1558 C ALA A 105 10.108 -13.285 -9.510 1.00 2.38 C ATOM 1559 O ALA A 105 10.439 -12.751 -10.570 1.00 2.80 O ATOM 1560 CB ALA A 105 7.958 -13.945 -10.630 1.00 3.51 C ATOM 0 H ALA A 105 8.090 -14.853 -7.616 1.00 2.18 H new ATOM 0 HA ALA A 105 9.224 -15.221 -9.475 1.00 2.72 H new ATOM 0 HB1 ALA A 105 8.517 -14.086 -11.555 1.00 3.51 H new ATOM 0 HB2 ALA A 105 7.127 -14.649 -10.597 1.00 3.51 H new ATOM 0 HB3 ALA A 105 7.572 -12.926 -10.590 1.00 3.51 H new ATOM 1566 N GLY A 106 10.782 -13.120 -8.381 1.00 2.15 N ATOM 1567 CA GLY A 106 11.979 -12.305 -8.344 1.00 2.11 C ATOM 1568 C GLY A 106 12.038 -11.428 -7.111 1.00 1.71 C ATOM 1569 O GLY A 106 11.011 -11.170 -6.480 1.00 2.30 O ATOM 0 H GLY A 106 10.520 -13.537 -7.488 1.00 2.15 H new ATOM 0 HA2 GLY A 106 12.857 -12.951 -8.370 1.00 2.11 H new ATOM 0 HA3 GLY A 106 12.017 -11.679 -9.235 1.00 2.11 H new ATOM 1573 N HIS A 107 13.236 -10.980 -6.759 1.00 1.52 N ATOM 1574 CA HIS A 107 13.422 -10.117 -5.600 1.00 1.72 C ATOM 1575 C HIS A 107 12.872 -8.725 -5.893 1.00 1.44 C ATOM 1576 O HIS A 107 12.086 -8.178 -5.121 1.00 1.91 O ATOM 1577 CB HIS A 107 14.906 -10.035 -5.227 1.00 2.56 C ATOM 1578 CG HIS A 107 15.184 -9.237 -3.988 1.00 3.15 C ATOM 1579 ND1 HIS A 107 15.712 -7.965 -4.011 1.00 3.92 N ATOM 1580 CD2 HIS A 107 15.012 -9.544 -2.680 1.00 3.70 C ATOM 1581 CE1 HIS A 107 15.853 -7.526 -2.775 1.00 4.69 C ATOM 1582 NE2 HIS A 107 15.435 -8.464 -1.948 1.00 4.59 N ATOM 0 H HIS A 107 14.096 -11.201 -7.261 1.00 1.52 H new ATOM 0 HA HIS A 107 12.878 -10.541 -4.756 1.00 1.72 H new ATOM 0 HB2 HIS A 107 15.291 -11.045 -5.089 1.00 2.56 H new ATOM 0 HB3 HIS A 107 15.455 -9.595 -6.060 1.00 2.56 H new ATOM 0 HD2 HIS A 107 14.615 -10.468 -2.286 1.00 3.70 H new ATOM 0 HE1 HIS A 107 16.245 -6.561 -2.489 1.00 4.69 H new ATOM 0 HE2 HIS A 107 15.427 -8.397 -0.930 1.00 4.59 H new ATOM 1591 N ALA A 108 13.288 -8.161 -7.012 1.00 0.96 N ATOM 1592 CA ALA A 108 12.806 -6.860 -7.426 1.00 0.74 C ATOM 1593 C ALA A 108 11.876 -6.989 -8.611 1.00 0.74 C ATOM 1594 O ALA A 108 12.316 -7.090 -9.757 1.00 0.95 O ATOM 1595 CB ALA A 108 13.955 -5.935 -7.774 1.00 0.75 C ATOM 0 H ALA A 108 13.960 -8.586 -7.651 1.00 0.96 H new ATOM 0 HA ALA A 108 12.258 -6.430 -6.588 1.00 0.74 H new ATOM 0 HB1 ALA A 108 13.562 -4.966 -8.081 1.00 0.75 H new ATOM 0 HB2 ALA A 108 14.596 -5.807 -6.902 1.00 0.75 H new ATOM 0 HB3 ALA A 108 14.535 -6.366 -8.590 1.00 0.75 H new ATOM 1601 N ASP A 109 10.591 -7.006 -8.323 1.00 0.65 N ATOM 1602 CA ASP A 109 9.574 -6.976 -9.358 1.00 0.72 C ATOM 1603 C ASP A 109 9.662 -5.674 -10.138 1.00 0.71 C ATOM 1604 O ASP A 109 9.820 -5.671 -11.359 1.00 0.84 O ATOM 1605 CB ASP A 109 8.194 -7.108 -8.720 1.00 0.74 C ATOM 1606 CG ASP A 109 7.059 -6.824 -9.687 1.00 1.42 C ATOM 1607 OD1 ASP A 109 6.527 -5.696 -9.679 1.00 2.21 O ATOM 1608 OD2 ASP A 109 6.709 -7.726 -10.478 1.00 1.59 O1- ATOM 0 H ASP A 109 10.222 -7.041 -7.373 1.00 0.65 H new ATOM 0 HA ASP A 109 9.736 -7.807 -10.044 1.00 0.72 H new ATOM 0 HB2 ASP A 109 8.080 -8.116 -8.322 1.00 0.74 H new ATOM 0 HB3 ASP A 109 8.124 -6.422 -7.876 1.00 0.74 H new ATOM 1613 N ASP A 110 9.550 -4.574 -9.411 1.00 0.62 N ATOM 1614 CA ASP A 110 9.613 -3.242 -9.999 1.00 0.66 C ATOM 1615 C ASP A 110 10.810 -2.480 -9.464 1.00 0.64 C ATOM 1616 O ASP A 110 11.232 -1.467 -10.020 1.00 0.78 O ATOM 1617 CB ASP A 110 8.352 -2.463 -9.642 1.00 0.68 C ATOM 1618 CG ASP A 110 8.143 -1.256 -10.530 1.00 1.43 C ATOM 1619 OD1 ASP A 110 7.742 -1.439 -11.696 1.00 1.49 O ATOM 1620 OD2 ASP A 110 8.366 -0.119 -10.067 1.00 2.37 O1- ATOM 0 H ASP A 110 9.413 -4.577 -8.400 1.00 0.62 H new ATOM 0 HA ASP A 110 9.701 -3.351 -11.080 1.00 0.66 H new ATOM 0 HB2 ASP A 110 7.487 -3.122 -9.722 1.00 0.68 H new ATOM 0 HB3 ASP A 110 8.411 -2.139 -8.603 1.00 0.68 H new ATOM 1625 N LEU A 111 11.366 -3.000 -8.388 1.00 0.56 N ATOM 1626 CA LEU A 111 12.226 -2.214 -7.525 1.00 0.60 C ATOM 1627 C LEU A 111 13.635 -2.060 -8.071 1.00 0.75 C ATOM 1628 O LEU A 111 14.057 -2.751 -8.997 1.00 0.81 O ATOM 1629 CB LEU A 111 12.296 -2.818 -6.117 1.00 0.58 C ATOM 1630 CG LEU A 111 10.972 -2.915 -5.340 1.00 0.47 C ATOM 1631 CD1 LEU A 111 10.133 -1.665 -5.508 1.00 0.51 C ATOM 1632 CD2 LEU A 111 10.177 -4.132 -5.763 1.00 0.55 C ATOM 0 H LEU A 111 11.237 -3.967 -8.089 1.00 0.56 H new ATOM 0 HA LEU A 111 11.775 -1.223 -7.481 1.00 0.60 H new ATOM 0 HB2 LEU A 111 12.718 -3.820 -6.197 1.00 0.58 H new ATOM 0 HB3 LEU A 111 12.994 -2.225 -5.527 1.00 0.58 H new ATOM 0 HG LEU A 111 11.229 -3.014 -4.285 1.00 0.47 H new ATOM 0 HD11 LEU A 111 9.206 -1.771 -4.945 1.00 0.51 H new ATOM 0 HD12 LEU A 111 10.687 -0.803 -5.137 1.00 0.51 H new ATOM 0 HD13 LEU A 111 9.902 -1.521 -6.563 1.00 0.51 H new ATOM 0 HD21 LEU A 111 9.247 -4.174 -5.197 1.00 0.55 H new ATOM 0 HD22 LEU A 111 9.951 -4.067 -6.827 1.00 0.55 H new ATOM 0 HD23 LEU A 111 10.760 -5.033 -5.570 1.00 0.55 H new ATOM 1644 N ASP A 112 14.334 -1.136 -7.448 1.00 0.86 N ATOM 1645 CA ASP A 112 15.713 -0.799 -7.753 1.00 1.05 C ATOM 1646 C ASP A 112 16.277 -0.092 -6.537 1.00 1.03 C ATOM 1647 O ASP A 112 17.460 -0.182 -6.213 1.00 1.16 O ATOM 1648 CB ASP A 112 15.774 0.111 -8.974 1.00 1.26 C ATOM 1649 CG ASP A 112 17.189 0.525 -9.330 1.00 1.52 C ATOM 1650 OD1 ASP A 112 17.927 -0.297 -9.911 1.00 1.68 O ATOM 1651 OD2 ASP A 112 17.566 1.679 -9.037 1.00 1.61 O1- ATOM 0 H ASP A 112 13.946 -0.577 -6.688 1.00 0.86 H new ATOM 0 HA ASP A 112 16.292 -1.694 -7.980 1.00 1.05 H new ATOM 0 HB2 ASP A 112 15.325 -0.401 -9.825 1.00 1.26 H new ATOM 0 HB3 ASP A 112 15.176 1.003 -8.787 1.00 1.26 H new ATOM 1656 N TYR A 113 15.377 0.622 -5.878 1.00 0.96 N ATOM 1657 CA TYR A 113 15.630 1.244 -4.594 1.00 1.04 C ATOM 1658 C TYR A 113 15.629 0.193 -3.495 1.00 1.23 C ATOM 1659 O TYR A 113 16.722 -0.179 -3.022 1.00 1.72 O ATOM 1660 CB TYR A 113 14.570 2.299 -4.312 1.00 0.90 C ATOM 1661 CG TYR A 113 13.457 2.344 -5.344 1.00 1.26 C ATOM 1662 CD1 TYR A 113 13.431 3.303 -6.360 1.00 2.09 C ATOM 1663 CD2 TYR A 113 12.419 1.419 -5.295 1.00 1.41 C ATOM 1664 CE1 TYR A 113 12.403 3.330 -7.284 1.00 2.87 C ATOM 1665 CE2 TYR A 113 11.394 1.445 -6.218 1.00 2.14 C ATOM 1666 CZ TYR A 113 11.444 2.451 -7.263 1.00 2.88 C ATOM 1667 OH TYR A 113 10.366 2.434 -8.123 1.00 3.71 O ATOM 1668 OXT TYR A 113 14.535 -0.283 -3.128 1.00 1.79 O ATOM 0 H TYR A 113 14.434 0.786 -6.230 1.00 0.96 H new ATOM 0 HA TYR A 113 16.609 1.724 -4.619 1.00 1.04 H new ATOM 0 HB2 TYR A 113 14.135 2.110 -3.331 1.00 0.90 H new ATOM 0 HB3 TYR A 113 15.048 3.277 -4.265 1.00 0.90 H new ATOM 0 HD1 TYR A 113 14.225 4.033 -6.424 1.00 2.09 H new ATOM 0 HD2 TYR A 113 12.416 0.667 -4.520 1.00 1.41 H new ATOM 0 HE1 TYR A 113 12.396 4.100 -8.042 1.00 2.87 H new ATOM 0 HE2 TYR A 113 10.579 0.738 -6.165 1.00 2.14 H new ATOM 0 HH TYR A 113 9.598 2.865 -7.693 1.00 3.71 H new TER 1678 TYR A 113